File SKIP_SPECIES.TXT lists species and minerals omitted from the calculations due to given T, P, option switches, or suppression in CHIMRUN, or are suppressed in the SOLTHERM database. It also lists minerals for which density is not specified in SOLTHERM. This run is at the P & T of L-V saturation (con_flag not equal to 1). methanol,aq is suppressed in SOLTHERM data file. methanol,aq is suppressed in SOLTHERM data file. CuCl4-3 is suppressed in SOLTHERM data file. H2BO3- is suppressed in SOLTHERM data file. UO2CO3,aq is suppressed in SOLTHERM data file. UO2SO4,aq is suppressed in SOLTHERM data file. UO2Cl2,aq is suppressed in SOLTHERM data file. UO2F2,aq is suppressed in SOLTHERM data file. PO4-3 is suppressed in SOLTHERM data file. H2PO4- is suppressed in SOLTHERM data file. H3PO4 is suppressed in SOLTHERM data file. S2,gas is suppressed in THIS RUN. S2,gas is suppressed in THIS RUN. SO3,gas is suppressed in THIS RUN. O2,gas is suppressed in THIS RUN. O2,gas is suppressed in THIS RUN. fCO2-3.5 is suppressed in THIS RUN. amesite is suppressed in SOLTHERM data file. antigorite is suppressed in SOLTHERM data file. sapphirine-Fe(221) is suppressed in SOLTHERM data file. sapphirine(221) is suppressed in SOLTHERM data file. talc-prl is suppressed in SOLTHERM data file. PrO1.833(s) is suppressed in SOLTHERM data file. niter-NH4 is suppressed in SOLTHERM data file. FMQ_HS-1 is suppressed in THIS RUN. kf-ab-equil is suppressed in THIS RUN. ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ Test file for CHIM-XPT. Boil Broadlands Water Water similar to Broadlands Well No. 2 CHIMRUN demo-2a ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ Species No. Charge Tot.moles Trial molality Gamma Mixing solution H+ 1 1. 0.18222E+00 0.12506E-05 0.6904 0.00000000E+00 H2O 2 0. 0.55508E+02 0.10000E+01 0.9998 0.00000000E+00 Cl- 3 -1. 0.30720E-01 0.28412E-01 0.6790 0.00000000E+00 SO4-- 4 -2. -0.42577E-02 0.45684E-09 0.2520 0.00000000E+00 HCO3- 5 -1. 0.18321E+00 0.18750E-02 0.6838 0.00000000E+00 HS- 6 -1. 0.99858E-02 0.44551E-03 0.6795 0.00000000E+00 H4SiO4 7 0. 0.78553E-02 0.78051E-02 1.0000 0.00000000E+00 Al+++ 8 3. 0.22537E-05 0.15931E-20 0.0490 0.00000000E+00 Ca++ 9 2. 0.35614E-04 0.12063E-04 0.2440 0.00000000E+00 Mg++ 10 2. 0.23555E-06 0.51218E-07 0.2357 0.00000000E+00 Fe++ 11 2. 0.80174E-08 0.20487E-08 0.2378 0.00000000E+00 K+ 12 1. 0.37157E-02 0.35974E-02 0.6852 0.00000000E+00 Na+ 13 1. 0.29633E-01 0.27283E-01 0.6793 0.00000000E+00 Mn++ 14 2. 0.27404E-08 0.26129E-10 0.2393 0.00000000E+00 Zn++ 15 2. 0.15300E-07 0.21560E-14 0.2378 0.00000000E+00 Cu+ 16 1. 0.62374E-07 0.15214E-11 0.6791 0.00000000E+00 Pb++ 17 2. 0.11100E-07 0.56048E-12 0.2491 0.00000000E+00 Hg++ 18 2. 0.40000E-08 0.11911E-30 0.2467 0.00000000E+00 F- 19 -1. 0.24391E-03 0.16230E-03 0.6698 0.00000000E+00 Chg. balance for total moles = 0.2402E-07 Max. difference allowed = 0.3072E-05 The following parameters were given: ERPC = 0.1000E-11 pH = 0.0000 PFLUID = 82.8577 SLIM = 0.100000E+03 TEMP = 280.0000 SINC = -.2000E+01 TEMPC = 0.0000 TOTMIX = 0.000000E+00 ENTH = 0.0000 SENTH = 0.0000 DENTH = 0.0000 TOTWAT = 90.0000 SOLMIN = 0.0000E+00 RM = 0.0000 AQGRM = 1013.7045 SUPRNT = 0.1000E-10 VBOX-1 = 0.0000 RHOFRS = 0.0000 RHOROC = 0.0000 The following options were selected: CONFLG = 0 C = 3 IFRAC = 0 IPUNCH = 1 NLOOP = 200 ISTEP = 2 LIMSOL = 1 LOOC = 0 IENTH = 1 ITREF = 0 IDEAL = 0 IPSAT = 1 INCREM = 0 INCP = 0 MINSOL = 0 NEUT = 0 AWAT = 0 CHGF = 0 Of the derived species, only those with molality > 0.10E-10 will appear in the output Species No. Charge Log K(diss) Species No. Charge Log K(diss) SiF6-2 20 -2. -26.6711 MnSO4,aq 108 0. -4.8616 HSiO3- 21 -1. 9.2607 NaCl,aq 109 0. -0.7736 Ca(HSiO3)+ 22 1. 5.9957 NaF,aq 110 0. -0.7081 Mg(HSiO3)+ 23 1. 6.2003 NaOH,aq 111 0. 10.5851 NaHSiO3,aq 24 0. 7.9692 O2,aq 112 0. 31.8516 AlO+ 25 1. 2.3151 OH- 113 -1. 11.2137 AlOH+2 26 2. 0.2573 HO2- 114 -1. 36.2666 HAlO2,aq 27 0. 4.5187 H2O2,aq 115 0. 25.4322 AlO2- 28 -1. 8.8216 PbCl+ 116 1. -3.6172 CH4,aq 29 0. 5.8143 PbCl2,aq 117 0. -5.5863 C2H6,aq 30 0. 11.6306 PbCl3- 118 -1. -5.8294 C3H8,aq 31 0. 16.7373 PbCl4-2 119 -2. -5.1692 C4H10,aq 32 0. 21.8086 PbF+ 120 1. -3.6208 ethanol,aq 33 0. 12.9778 PbF2,aq 121 0. -5.6740 CO,aq 34 0. -0.2684 PbO,aq 122 0. 10.0994 CO2,aq 35 0. -8.1462 HPbO2- 123 -1. 19.8364 CO3-2 36 -2. 11.2004 Pb(HS)2,aq 124 0. -13.2714 CaCO3,aq 37 0. 4.2469 Pb(HS)3- 125 -1. -15.0339 Ca(HCO3)+ 38 1. -3.4894 H2S,aq 126 0. -7.5612 CaCl+ 39 1. -2.3297 S2-2 127 -2. 0.5461 CaCl2,aq 40 0. -2.5366 S3-2 128 -2. -9.1420 CaF+ 41 1. -3.3670 S3- 129 -1. -19.4929 CaOH+ 42 1. 6.7002 S4-2 130 -2. -18.7022 CaSO4,aq 43 0. -4.7186 S5-2 131 -2. -28.1416 HCl,aq 44 0. -0.8176 SO2,aq 132 0. -7.1609 HClO,aq 45 0. 18.5182 SO3-2 133 -2. 8.4304 ClO- 46 -1. 26.3615 HSO3- 134 -1. -1.7282 HClO2,aq 47 0. 42.2740 HSO4- 135 -1. -5.7926 Cu+2 48 2. 1.6636 HSO5- 136 -1. 19.6989 CuCl+ 49 1. -0.9535 S2O3-2 137 -2. -5.6169 CuCl2,aq 50 0. -1.6651 HS2O3- 138 -1. -9.9954 CuCl3- 51 -1. -0.2792 H2S2O3,aq 139 0. -12.8022 CuCl4-2 52 -2. 3.0139 S2O4-2 140 -2. 3.5044 CuCl,aq 53 0. -4.1657 HS2O4- 141 -1. -1.3696 CuCl2- 54 -1. -5.5409 H2S2O4,aq 142 0. -4.0629 CuCl3-2 55 -2. -3.9466 S2O5-2 143 -2. 2.4525 CuF+ 56 1. -1.9849 S2O6-2 144 -2. 2.5456 CuO,aq 57 0. 10.7778 S2O8-2 145 -2. 19.6266 CuOH+ 58 1. 5.9163 S3O6-2 146 -2. -5.0443 CuO2-2 59 -2. 30.5091 S4O6-2 147 -2. -24.2483 HCuO2- 60 -1. 19.1889 S5O6-2 148 -2. -21.9243 HF,aq 61 0. -5.8356 ZnCl+ 149 1. -5.7135 HF2- 62 -1. -5.2931 ZnCl2,aq 150 0. -6.3611 Fe+3 63 3. 7.9385 ZnCl3- 151 -1. -5.6083 FeCl+ 64 1. -2.1130 ZnF+ 152 1. -3.2799 FeCl2,aq 65 0. -3.3084 ZnO,aq 153 0. 9.3522 FeCl+2 66 2. 4.2342 ZnOH+ 154 1. 1.7968 FeF+ 67 1. -3.4473 ZnO2-2 155 -2. 28.7734 FeF+2 68 2. -1.6716 HZnO2- 156 -1. 18.0978 FeO,aq 69 0. 11.2246 AlF++ 157 2. -11.9172 FeOH+ 70 1. 5.0402 AlF2+ 158 1. -21.4244 HFeO2- 71 -1. 18.7142 AlF3,aq 159 0. -27.7572 FeO+ 72 1. 8.0507 AlF4- 160 -1. -31.9004 FeOH+2 73 2. 6.8079 AlF5-- 161 -2. -33.5776 FeO2- 74 -1. 17.2430 AlSO4+ 162 1. -5.5560 HFeO2,aq 75 0. 10.9518 Al(SO4)2- 163 -1. -8.6248 H2,aq 76 0. 6.5151 Cu(HS)2- 164 -1. -11.6316 Hg,aq 77 0. -8.0084 CuH4S3-a 165 -1. -18.5564 Hg2+2 78 2. -12.9184 CuH4S3-b 166 -1. -18.4180 HgCl+ 79 1. -6.9399 FeCl4-- 167 -2. -4.0208 HgCl2,aq 80 0. -12.6582 FeCl2+ 168 1. 5.7772 HgCl3- 81 -1. -13.5814 FeCl3,aq 169 0. -0.1980 HgCl4-2 82 -2. -13.8492 FeCl4- 170 -1. 0.3140 HgF+ 83 1. -3.8389 FeF2+ 171 1. 0.3624 HgO,aq 84 0. 4.3346 FeF3,aq 172 0. -12.7832 HgOH+ 85 1. 0.2730 FeSO4,aq 173 0. -4.6676 HHgO2- 86 -1. 15.8366 FeSO4+ 174 1. -1.6164 Hg(OH)2,aq 87 0. 2.5328 HgClOH,aq 175 0. -7.5364 HgS(HS)- 88 -1. -21.7096 HgS2-- 176 -2. -12.0876 Hg(HS)2,aq 89 0. -27.2503 HgH4S3,aq 177 0. -39.4268 KCl,aq 90 0. -0.0741 Hg(HS)3- 178 -1. -28.3036 KHSO4,aq 91 0. -5.5477 MgSO4,aq 179 0. -4.9616 KOH,aq 92 0. 10.3781 MnCl2,aq 180 0. -5.4656 KSO4- 93 -1. -2.7942 MnCl3- 181 -1. -6.0976 MgCO3,aq 94 0. 5.2536 MnCO3,aq 182 0. 4.0696 Mg(HCO3)+ 95 1. -3.4254 NaCO3- 183 -1. 9.6060 MgCl+ 96 1. -1.9606 NaHCO3,aq 184 0. -0.6664 MgF+ 97 1. -3.7775 NaHS,aq 185 0. -0.6664 MgOH+ 98 1. 6.2247 NaSO4- 186 -1. -2.0352 Mn+3 99 3. 16.6616 PbCO3,aq 187 0. 0.4528 MnF+ 100 1. -3.1369 PbOH+ 188 1. 3.0744 MnO,aq 101 0. 12.7740 PbH4S3,aq 189 0. -20.8932 MnOH+ 102 1. 5.8515 S-- 190 -2. 14.9788 MnO2-2 103 -2. 32.8108 ZnHCO3+ 191 1. -4.0412 HMnO2- 104 -1. 22.7706 ZnSO4,aq 192 0. -4.1180 MnO4- 105 -1. 53.1076 Zn(HS)2,aq 193 0. -14.4840 MnO4-2 106 -2. 57.0379 Zn(HS)3- 194 -1. -15.8160 MnCl+ 107 1. -3.5116 Zn(HS)4-- 195 -2. -15.6000 For mixed gases (JSOLS=6), log K(hydrol) = log (K*P) Log K Trial Log K Trial Mineral No. hydrol Moles Mineral No. hydrol Moles H2O,gas 1 0.208 0.0000E+00 px-Ca-tschermaks 140 2.064 0.0000E+00 CO2,gas 2 -8.145 0.0000E+00 pyrite 141 -19.854 0.0000E+00 CH4,gas 3 5.255 0.0000E+00 pyrrhotite 142 -6.373 0.0000E+00 H2,gas 4 5.951 0.0000E+00 pyrrhotiteFe0.875 143 -7.442 0.0000E+00 H2S,gas 5 -7.059 0.0000E+00 pyroxmangite 144 3.927 0.0000E+00 CO,gas 6 -0.662 0.0000E+00 pyrophyllite 145 -13.088 0.0000E+00 SO2,gas 7 -6.227 0.0000E+00 quartz 146 -2.070 0.0000E+00 HF,gas 8 -3.289 0.0000E+00 rankinite 147 25.322 0.0000E+00 HCl,gas 9 0.782 0.0000E+00 riebeckite 148 8.150 0.0000E+00 Hg,gas 10 -8.030 0.0000E+00 ringwoodite-Fe 149 7.188 0.0000E+00 acmite 11 4.483 0.0000E+00 ringwoodite-Mg 150 15.460 0.0000E+00 akermanite 12 21.201 0.0000E+00 rhodochrosite 151 -3.158 0.0000E+00 akimotoite 13 9.696 0.0000E+00 rhodonite 152 3.938 0.0000E+00 akimotoite-Fe 14 7.166 0.0000E+00 sanidine 153 -4.568 0.0000E+00 albite-high 15 -3.904 0.0000E+00 sapphirine(351) 154 -1.188 0.0000E+00 albite 16 -4.344 0.0000E+00 siderite 155 -4.929 0.0000E+00 almandine 17 1.421 0.0000E+00 sillimanite 156 -6.314 0.0000E+00 pyrope 18 10.110 0.0000E+00 sodalite 157 8.847 0.0000E+00 spessartine 19 3.799 0.0000E+00 spinel 158 2.650 0.0000E+00 analcite 20 -1.518 0.0000E+00 spurrite 159 35.167 0.0000E+00 andalusite 21 -6.445 0.0000E+00 staurolite-Fe 160 -42.704 0.0000E+00 andradite 22 20.942 0.0000E+00 staurolite-Mg 161 -31.671 0.0000E+00 grossular 23 10.981 0.0000E+00 staurolite-Mn 162 -33.189 0.0000E+00 anhydrite 24 -9.305 0.0000E+00 stilbite 163 -11.666 0.0000E+00 ankerite 25 -7.004 0.0000E+00 stilpnomelane-Fe 164 -4.535 0.0000E+00 annite 26 5.519 0.0000E+00 stilpnomelane-Mg 165 4.613 0.0000E+00 phlogopite 27 10.606 0.0000E+00 stishovite 166 2.068 0.0000E+00 biotite-Mn 28 16.187 0.0000E+00 sudoite-Fe 167 -7.704 0.0000E+00 anorthite 29 -2.387 0.0000E+00 sudoite 168 -5.587 0.0000E+00 anthophyllite 30 24.327 0.0000E+00 sulfur 169 -8.984 0.0000E+00 anthophyllite-Fe 31 8.708 0.0000E+00 sylvite 170 0.817 0.0000E+00 aragonite 32 -1.656 0.0000E+00 talc 171 7.266 0.0000E+00 brucite 33 7.655 0.0000E+00 talc-Fe 172 4.828 0.0000E+00 calcite 34 -1.805 0.0000E+00 talc-tschermaks 173 0.662 0.0000E+00 carnegieite-low 35 2.195 0.0000E+00 tenorite 174 4.117 0.0000E+00 carnegieite-high 36 2.657 0.0000E+00 tephroite 175 10.169 0.0000E+00 carpholite-Mg 37 -3.836 0.0000E+00 tilleyite 176 21.136 0.0000E+00 carpholite-Fe 38 -5.226 0.0000E+00 titanite-CaSi 177 10.079 0.0000E+00 celadonite 39 -0.518 0.0000E+00 topaz-H 178 -5.392 0.0000E+00 celadonite-Fe 40 -1.786 0.0000E+00 tridymite 179 -1.906 0.0000E+00 chrysotile 41 13.045 0.0000E+00 tremolite 180 23.802 0.0000E+00 chondrodite 42 30.616 0.0000E+00 ferroactinolite 181 16.769 0.0000E+00 clinochlore 43 12.063 0.0000E+00 troilite-low 182 -6.382 0.0000E+00 daphnite 44 4.624 0.0000E+00 tschermakite 183 7.650 0.0000E+00 chlorite-Mn 45 20.325 0.0000E+00 vesuvianite 184 86.419 0.0000E+00 chlorite-Al-free 46 25.861 0.0000E+00 wadeite-Si 185 16.749 0.0000E+00 chloritoid-Mg 47 -1.467 0.0000E+00 wadsleyite-Fe 186 7.205 0.0000E+00 chloritoid-Fe 48 -4.121 0.0000E+00 wadsleyite-Mg 187 14.204 0.0000E+00 chloritoid-Mn 49 -1.912 0.0000E+00 wairakite 188 -7.236 0.0000E+00 clinohumite 50 51.617 0.0000E+00 walstromite 189 7.040 0.0000E+00 coesite 51 -1.633 0.0000E+00 wollastonite 190 6.350 0.0000E+00 cordierite-H 52 -7.647 0.0000E+00 pseudo-wollastonite 191 6.634 0.0000E+00 cordierite 53 -7.497 0.0000E+00 zoisite 192 -0.211 0.0000E+00 cordierite-Fe 54 -10.145 0.0000E+00 beidellite-Ca 193 -11.813 0.0000E+00 cordierite-Mn 55 -5.707 0.0000E+00 beidellite-H 194 -12.071 0.0000E+00 corundum 56 -4.104 0.0000E+00 beidellite-K 195 -11.115 0.0000E+00 corundum-MgSi 57 11.247 0.0000E+00 beidellite-Mg 196 -12.065 0.0000E+00 cristobalite 58 -1.884 0.0000E+00 beidellite-Na 197 -11.076 0.0000E+00 cummingtonite 59 24.477 0.0000E+00 bornite 198 -66.244 0.0000E+00 cuprite 60 1.199 0.0000E+00 calcium 199 56.635 0.0000E+00 cymrite-K 61 -2.319 0.0000E+00 chalcedony 200 -1.944 0.0000E+00 deerite 62 35.860 0.0000E+00 chalcocite 201 -19.411 0.0000E+00 diaspore 63 -2.337 0.0000E+00 covellite 202 -14.886 0.0000E+00 diamond 64 -1.767 0.0000E+00 dawsonite 203 -2.196 0.0000E+00 diopside 65 8.665 0.0000E+00 montmorillonite-Ca 204 -9.593 0.0000E+00 hedenbergite 66 7.179 0.0000E+00 montmorillonite-K 205 -9.036 0.0000E+00 dolomite,ordered 67 -5.048 0.0000E+00 montmorillonite-Mg 206 -9.863 0.0000E+00 eastonite 68 3.342 0.0000E+00 montmorillonite-Na 207 -8.890 0.0000E+00 enstatite 69 8.367 0.0000E+00 montroydite 208 0.613 0.0000E+00 clinoenstatite-HiP 70 9.115 0.0000E+00 nontronite-Ca 209 -2.366 0.0000E+00 clinoenstatite 71 8.306 0.0000E+00 nontronite-H 210 -2.629 0.0000E+00 protoenstatite 72 8.668 0.0000E+00 nontronite-K 211 -1.668 0.0000E+00 epidote 73 4.089 0.0000E+00 nontronite-Mg 212 -2.614 0.0000E+00 clinozoisite 74 -0.238 0.0000E+00 nontronite-Na 213 -1.628 0.0000E+00 epidote-Fe 75 10.727 0.0000E+00 sepiolite 214 15.178 0.0000E+00 fayalite 76 6.019 0.0000E+00 topaz 215 -25.536 0.0000E+00 ferrosilite 77 4.062 0.0000E+00 alite 216 37.020 0.0000E+00 forsterite 78 10.905 0.0000E+00 belite 217 19.086 0.0000E+00 gedrite 79 7.049 0.0000E+00 ettringite 218 20.120 0.0000E+00 gehlenite 80 13.224 0.0000E+00 gypsum 219 -7.793 0.0000E+00 gibbsite 81 -0.933 0.0000E+00 hemicarboaluminate 220 42.508 0.0000E+00 glaucophane 82 4.690 0.0000E+00 hydrogarnet 221 33.538 0.0000E+00 glaucophane-Fe 83 0.439 0.0000E+00 hydrogarnet-Si 222 25.887 0.0000E+00 goethite 84 2.924 0.0000E+00 jennite 223 17.679 0.0000E+00 graphite 85 -2.138 0.0000E+00 monosulfoaluminate 224 25.304 0.0000E+00 greenalite 86 7.459 0.0000E+00 monocarboaluminate 225 35.543 0.0000E+00 grunerite 87 9.825 0.0000E+00 portlandite 226 12.346 0.0000E+00 halite 88 0.675 0.0000E+00 stratlingite 227 17.992 0.0000E+00 hematite 89 4.861 0.0000E+00 tricarboaluminate 228 48.415 0.0000E+00 heulandite 90 -13.159 0.0000E+00 tobermorite 229 7.872 0.0000E+00 hercynite 91 0.065 0.0000E+00 C4AH13 230 51.848 0.0000E+00 hollandite 92 14.399 0.0000E+00 C2AH8 231 25.016 0.0000E+00 iron 93 12.283 0.0000E+00 C3A 232 46.420 0.0000E+00 jadeite 94 -0.651 0.0000E+00 C4AF 233 62.742 0.0000E+00 julgoldite 95 37.448 0.0000E+00 CAH10 234 14.854 0.0000E+00 kalsilite 96 1.421 0.0000E+00 alabandite 235 -3.696 0.0000E+00 kaolinite 97 -8.894 0.0000E+00 alunite 236 -27.413 0.0000E+00 kyanite 98 -6.371 0.0000E+00 anglesite 237 -10.458 0.0000E+00 larnite-bredigite 99 19.289 0.0000E+00 artinite 238 8.720 0.0000E+00 laumontite 100 -6.612 0.0000E+00 azurite 239 1.835 0.0000E+00 lawsonite 101 -2.039 0.0000E+00 boehmite 240 -1.573 0.0000E+00 leucite 102 -1.284 0.0000E+00 cerussite 241 -3.733 0.0000E+00 lime 103 16.939 0.0000E+00 chalcopyrite 242 -24.255 0.0000E+00 lizardite 104 12.839 0.0000E+00 cinnabar 243 -23.793 0.0000E+00 magnesite 105 -2.634 0.0000E+00 metacinnabar 244 -23.746 0.0000E+00 magnetite 106 8.165 0.0000E+00 copper,native 245 -0.647 0.0000E+00 minnesotaite 107 2.714 0.0000E+00 dolomite,disordered 246 -4.779 0.0000E+00 minnesotaite-Mg 108 9.957 0.0000E+00 ferrous-oxide 247 4.790 0.0000E+00 magnesioferrite 109 12.333 0.0000E+00 fluorite 248 -12.189 0.0000E+00 majorite 110 29.600 0.0000E+00 galena 249 -10.075 0.0000E+00 manganosite 111 8.450 0.0000E+00 huntite 250 -9.314 0.0000E+00 margarite 112 -7.793 0.0000E+00 litharge 251 7.096 0.0000E+00 meionite 113 -5.944 0.0000E+00 hydromagnesite 252 2.200 0.0000E+00 merwinite 114 33.719 0.0000E+00 malachite 253 2.048 0.0000E+00 microcline 115 -5.385 0.0000E+00 mercury 254 -11.121 0.0000E+00 monticellite 116 14.101 0.0000E+00 nesquehonite 255 3.752 0.0000E+00 mullite-Al 117 222.507 0.0000E+00 potassium-oxide 256 49.685 0.0000E+00 mullite-Si 118 -5.068 0.0000E+00 silica-amorphous 257 -1.626 0.0000E+00 muscovite 119 -10.773 0.0000E+00 smithsonite 258 -3.446 0.0000E+00 paragonite 120 -9.882 0.0000E+00 sodium-oxide 259 39.777 0.0000E+00 nepheline 121 1.704 0.0000E+00 sphalerite 260 -10.336 0.0000E+00 osumilite(1) 122 -13.799 0.0000E+00 wurtzite 261 -9.106 0.0000E+00 osumilite(2) 123 -5.891 0.0000E+00 zincite 262 4.031 0.0000E+00 osumilite-Fe 124 -18.419 0.0000E+00 an20ab80 263 -4.170 0.0000E+00 pargasite 125 22.499 0.0000E+00 an25ab75 264 -4.099 0.0000E+00 periclase 126 9.282 0.0000E+00 an30ab70 265 -4.022 0.0000E+00 periclase-Fe 127 6.077 0.0000E+00 tr.625ac.25prg.125 266 19.379 0.0000E+00 perovskite-Al 128 -1.447 0.0000E+00 Al2(SO4)3 267 -21.458 0.0000E+00 perovskite-Ca 129 15.504 0.0000E+00 caminite-625 268 -4.833 0.0000E+00 perovskite-Fe 130 12.628 0.0000E+00 caminite-75 269 -3.184 0.0000E+00 perovskite-Mg 131 14.061 0.0000E+00 Fe2(SO4)3,s 270 -12.666 0.0000E+00 phase_A 132 45.620 0.0000E+00 FeS-amorphous 271 -4.418 0.0000E+00 phlogopite-Na 133 11.990 0.0000E+00 FeSO4,s 272 -7.488 0.0000E+00 piemontite(ordered) 134 10.688 0.0000E+00 franklinite 273 8.969 0.0000E+00 prehnite 135 2.690 0.0000E+00 jarosite 274 -4.338 0.0000E+00 prehnite-Fe 136 7.719 0.0000E+00 MnO2,s 275 17.110 0.0000E+00 pumpellyite-Fe 137 6.161 0.0000E+00 Mn2O3,s 276 19.462 0.0000E+00 pumpellyite-Mg 138 8.077 0.0000E+00 Mn3O4,s 277 24.816 0.0000E+00 px-Mg-tschermaks 139 1.618 0.0000E+00 paralaurite 278 -0.566 0.0000E+00 The following minerals and/or gases with identical index are in solid solution: H2O,gas 6 CO2,gas 6 CH4,gas 6 H2,gas 6 H2S,gas 6 CO,gas 6 SO2,gas 6 HF,gas 6 HCl,gas 6 Hg,gas 6 almandine 16 pyrope 16 spessartine 16 andradite 8 grossular 8 annite 15 phlogopite 15 biotite-Mn 15 clinochlore 1 daphnite 1 chlorite-Mn 1 diopside 5 hedenbergite 5 epidote 3 clinozoisite 3 iron 9 magnetite 14 talc 7 talc-Fe 7 tremolite 2 ferroactinolite 2 ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ Test file for CHIM-XPT. Boil Broadlands Water Water similar to Broadlands Well No. 2 CHIMRUN demo-2a ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ Number of loops used = 9 Loop limit = 200 Temperature = 280.00 C Pressure = 82.86 bar Mixer fraction = 0.0000000 Total current enthalpy = 0.0000 KCAL Water: Moles liquid = 0.5568E+02 kg liquid = 0.1003E+01 Moles total = 0.5551E+02 kg total = 0.1000E+01 Activity = 0.9967 Stoichiometric ionic strength = .1203208E+00 Osmotic coef. = 0.8810 True ionic strength = .3096655E-01 Chg. balance for total moles = 0.2402E-07 Max. difference allowed = 0.3072E-05 Log Log Log Species(n) Molality Molality Activity Activity Gamma Gamma 1 H+ 0.12289E-05 -5.9105 0.84895E-06 -6.0711 0.69082E+00 -0.1606 2 H2O 0.99666E+00 -0.0015 0.99666E+00 -0.0015 3 Cl- 0.28430E-01 -1.5462 0.19314E-01 -1.7141 0.67934E+00 -0.1679 4 SO4-- 0.38982E-09 -9.4091 0.92984E-10 -10.0316 0.23853E+00 -0.6225 5 HCO3- 0.20944E-02 -2.6789 0.14329E-02 -2.8438 0.68416E+00 -0.1648 6 HS- 0.25124E-03 -3.5999 0.17081E-03 -3.7675 0.67985E+00 -0.1676 7 H4SiO4 0.78217E-02 -2.1067 0.78217E-02 -2.1067 0.10000E+01 0.0000 8 Al+++ 0.20463E-20 -20.6890 0.79676E-22 -22.0987 0.38938E-01 -1.4096 9 Ca++ 0.86246E-05 -5.0643 0.20051E-05 -5.6979 0.23249E+00 -0.6336 10 Mg++ 0.71031E-07 -7.1486 0.16188E-07 -7.7908 0.22791E+00 -0.6422 11 Fe++ 0.10155E-08 -8.9933 0.23258E-09 -9.6334 0.22903E+00 -0.6401 12 K+ 0.36468E-02 -2.4381 0.25000E-02 -2.6021 0.68553E+00 -0.1640 13 Na+ 0.27266E-01 -1.5644 0.18533E-01 -1.7321 0.67970E+00 -0.1677 14 Mn++ 0.53772E-10 -10.2694 0.12361E-10 -10.9080 0.22987E+00 -0.6385 15 Zn++ 0.74129E-14 -14.1300 0.16978E-14 -14.7701 0.22903E+00 -0.6401 16 Cu+ 0.48411E-11 -11.3151 0.32897E-11 -11.4828 0.67953E+00 -0.1678 17 Pb++ 0.84179E-13 -13.0748 0.19809E-13 -13.7031 0.23531E+00 -0.6284 18 Hg++ 0.90685E-31 -31.0425 0.21218E-31 -31.6733 0.23398E+00 -0.6308 19 F- 0.16197E-03 -3.7906 0.10856E-03 -3.9643 0.67024E+00 -0.1738 21 HSiO3- 0.74657E-05 -5.1269 0.50717E-05 -5.2948 0.67934E+00 -0.1679 22 Ca(HSiO3)+ 0.27282E-07 -7.5641 0.18720E-07 -7.7277 0.68615E+00 -0.1636 23 Mg(HSiO3)+ 0.13752E-09 -9.8616 0.94363E-10 -10.0252 0.68615E+00 -0.1636 24 NaHSiO3,aq 0.18393E-05 -5.7353 0.18393E-05 -5.7353 0.10000E+01 0.0000 27 HAlO2,aq 0.39179E-08 -8.4069 0.39179E-08 -8.4069 0.10000E+01 0.0000 28 AlO2- 0.34211E-06 -6.4658 0.22979E-06 -6.6387 0.67169E+00 -0.1728 29 CH4,aq 0.41486E-02 -2.3821 0.40230E-02 -2.3954 0.96972E+00 -0.0134 30 C2H6,aq 0.13746E-07 -7.8618 0.13330E-07 -7.8752 0.96972E+00 -0.0134 34 CO,aq 0.27467E-05 -5.5612 0.27467E-05 -5.5612 0.10000E+01 0.0000 35 CO2,aq 0.17626E+00 -0.7538 0.17092E+00 -0.7672 0.96972E+00 -0.0134 36 CO3-2 0.44983E-07 -7.3470 0.10640E-07 -7.9731 0.23654E+00 -0.6261 37 CaCO3,aq 0.19169E-06 -6.7174 0.19169E-06 -6.7174 0.10000E+01 0.0000 38 Ca(HCO3)+ 0.12921E-04 -4.8887 0.88660E-05 -5.0523 0.68615E+00 -0.1636 39 CaCl+ 0.12059E-04 -4.9187 0.82742E-05 -5.0823 0.68615E+00 -0.1636 40 CaCl2,aq 0.25734E-06 -6.5895 0.25734E-06 -6.5895 0.10000E+01 0.0000 41 CaF+ 0.73862E-06 -6.1316 0.50680E-06 -6.2952 0.68615E+00 -0.1636 42 CaOH+ 0.68414E-06 -6.1649 0.46942E-06 -6.3284 0.68615E+00 -0.1636 44 HCl,aq 0.10772E-06 -6.9677 0.10772E-06 -6.9677 0.10000E+01 0.0000 53 CuCl,aq 0.93046E-09 -9.0313 0.93046E-09 -9.0313 0.10000E+01 0.0000 54 CuCl2- 0.62765E-09 -9.2023 0.42638E-09 -9.3702 0.67934E+00 -0.1679 61 HF,aq 0.63122E-04 -4.1998 0.63122E-04 -4.1998 0.10000E+01 0.0000 62 HF2- 0.28923E-08 -8.5388 0.19648E-08 -8.7067 0.67934E+00 -0.1679 64 FeCl+ 0.84915E-09 -9.0710 0.58265E-09 -9.2346 0.68615E+00 -0.1636 65 FeCl2,aq 0.17649E-09 -9.7533 0.17649E-09 -9.7533 0.10000E+01 0.0000 67 FeF+ 0.10306E-09 -9.9869 0.70717E-10 -10.1505 0.68615E+00 -0.1636 69 FeO,aq 0.19178E-08 -8.7172 0.19178E-08 -8.7172 0.10000E+01 0.0000 70 FeOH+ 0.36273E-08 -8.4404 0.24889E-08 -8.6040 0.68615E+00 -0.1636 71 HFeO2- 0.10733E-09 -9.9693 0.72910E-10 -10.1372 0.67934E+00 -0.1679 74 FeO2- 0.91363E-10 -10.0392 0.62066E-10 -10.2071 0.67934E+00 -0.1679 75 HFeO2,aq 0.10301E-09 -9.9871 0.10301E-09 -9.9871 0.10000E+01 0.0000 76 H2,aq 0.38070E-03 -3.4194 0.36917E-03 -3.4328 0.96972E+00 -0.0134 77 Hg,aq 0.37412E-08 -8.4270 0.36279E-08 -8.4403 0.96972E+00 -0.0134 90 KCl,aq 0.57265E-04 -4.2421 0.57265E-04 -4.2421 0.10000E+01 0.0000 92 KOH,aq 0.12288E-06 -6.9105 0.12288E-06 -6.9105 0.10000E+01 0.0000 93 KSO4- 0.21306E-09 -9.6715 0.14474E-09 -9.8394 0.67934E+00 -0.1679 94 MgCO3,aq 0.15240E-09 -9.8170 0.15240E-09 -9.8170 0.10000E+01 0.0000 95 Mg(HCO3)+ 0.90027E-07 -7.0456 0.61772E-07 -7.2092 0.68615E+00 -0.1636 96 MgCl+ 0.41619E-07 -7.3807 0.28557E-07 -7.5443 0.68615E+00 -0.1636 97 MgF+ 0.15344E-07 -7.8141 0.10528E-07 -7.9777 0.68615E+00 -0.1636 98 MgOH+ 0.16511E-07 -7.7822 0.11329E-07 -7.9458 0.68615E+00 -0.1636 102 MnOH+ 0.29770E-10 -10.5262 0.20426E-10 -10.6898 0.68615E+00 -0.1636 107 MnCl+ 0.11299E-08 -8.9469 0.77530E-09 -9.1105 0.68615E+00 -0.1636 109 NaCl,aq 0.21250E-02 -2.6726 0.21250E-02 -2.6726 0.10000E+01 0.0000 110 NaF,aq 0.10273E-04 -4.9883 0.10273E-04 -4.9883 0.10000E+01 0.0000 111 NaOH,aq 0.56556E-06 -6.2475 0.56556E-06 -6.2475 0.10000E+01 0.0000 113 OH- 0.10686E-04 -4.9712 0.71777E-05 -5.1440 0.67169E+00 -0.1728 124 Pb(HS)2,aq 0.10795E-07 -7.9668 0.10795E-07 -7.9668 0.10000E+01 0.0000 125 Pb(HS)3- 0.15710E-09 -9.8038 0.10672E-09 -9.9717 0.67934E+00 -0.1679 126 H2S,aq 0.54443E-02 -2.2641 0.52794E-02 -2.2774 0.96972E+00 -0.0134 127 S2-2 0.29019E-10 -10.5373 0.68641E-11 -11.1634 0.23654E+00 -0.6261 135 HSO4- 0.71127E-10 -10.1480 0.48961E-10 -10.3102 0.68836E+00 -0.1622 149 ZnCl+ 0.24709E-10 -10.6071 0.16954E-10 -10.7707 0.68615E+00 -0.1636 154 ZnOH+ 0.46376E-10 -10.3337 0.31821E-10 -10.4973 0.68615E+00 -0.1636 158 AlF2+ 0.36361E-08 -8.4394 0.24949E-08 -8.6029 0.68615E+00 -0.1636 159 AlF3,aq 0.58279E-06 -6.2345 0.58279E-06 -6.2345 0.10000E+01 0.0000 160 AlF4- 0.12951E-05 -5.8877 0.87978E-06 -6.0556 0.67934E+00 -0.1679 161 AlF5-- 0.19201E-07 -7.7167 0.45419E-08 -8.3428 0.23654E+00 -0.6261 164 Cu(HS)2- 0.60490E-07 -7.2183 0.41093E-07 -7.3862 0.67934E+00 -0.1679 165 CuH4S3-a 0.73769E-10 -10.1321 0.50114E-10 -10.3000 0.67934E+00 -0.1679 166 CuH4S3-b 0.53638E-10 -10.2705 0.36438E-10 -10.4384 0.67934E+00 -0.1679 177 HgH4S3,aq 0.23983E-09 -9.6201 0.23983E-09 -9.6201 0.10000E+01 0.0000 180 MnCl2,aq 0.13470E-08 -8.8706 0.13470E-08 -8.8706 0.10000E+01 0.0000 181 MnCl3- 0.16412E-09 -9.7848 0.11149E-09 -9.9528 0.67934E+00 -0.1679 183 NaCO3- 0.11408E-07 -7.9428 0.77497E-08 -8.1107 0.67934E+00 -0.1679 184 NaHCO3,aq 0.12319E-03 -3.9094 0.12319E-03 -3.9094 0.10000E+01 0.0000 185 NaHS,aq 0.14684E-04 -4.8332 0.14684E-04 -4.8332 0.10000E+01 0.0000 186 NaSO4- 0.27508E-09 -9.5605 0.18687E-09 -9.7285 0.67934E+00 -0.1679 187 PbCO3,aq 0.11787E-10 -10.9286 0.11787E-10 -10.9286 0.10000E+01 0.0000 188 PbOH+ 0.28556E-10 -10.5443 0.19594E-10 -10.7079 0.68615E+00 -0.1636 189 PbH4S3,aq 0.65532E-10 -10.1835 0.65532E-10 -10.1835 0.10000E+01 0.0000 193 Zn(HS)2,aq 0.15097E-07 -7.8211 0.15097E-07 -7.8211 0.10000E+01 0.0000 194 Zn(HS)3- 0.81532E-10 -10.0887 0.55387E-10 -10.2566 0.67934E+00 -0.1679 Charge balance for all species = 0.2395E-07 Solid products produced: Mass = 0.000000 g Volume = 0.000000 cm3 WARNING: mineral volume may be in error because some mineral densities were not supplied in SOLTHERM. See mineral list in file Skip_Species.txt. Gas composition at saturation ( 4 iterations) ------------------------------------------------- Temperature: 280.0000 deg.C Sat. pressure: 82.8578 bar Gas Mole fraction phi Fugacity Partial P(bar) H2O,gas 0.8075E+00 0.7644 0.5114E+02 0.6691E+02 CO2,gas 0.1771E+00 0.9629 0.1413E+02 0.1468E+02 CH4,gas 0.1225E-01 1.1912 0.1209E+01 0.1015E+01 H2,gas 0.1315E-02 1.0299 0.1122E+00 0.1090E+00 H2S,gas 0.1823E-02 0.9101 0.1375E+00 0.1511E+00 CO,gas 0.6794E-05 1.0000 0.5630E-03 0.5630E-03 SO2,gas 0.1376E-12 1.0000 0.1140E-10 0.1140E-10 HF,gas 0.1792E-06 1.0000 0.1485E-04 0.1485E-04 HCl,gas 0.2706E-08 1.0000 0.2242E-06 0.2242E-06 Hg,gas 0.3810E-08 1.0000 0.3157E-06 0.3157E-06 NON-Ideal mixing with H2O, CO2, CH4 Gases ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ The following gases and minerals are presently in matrix or were just added Gas or Mineral Log K Log Q Log(Q/K) Log(Q/K)/S Affinity Log Fugacity 198 bornite -66.24 -65.45 0.80 0.060 -0.20220E+04 The following gases and minerals are presently EXCLUDED from matrix (Gases and minerals with log(Q/K) less than -5 are not listed below) Gas or Mineral Log K Log Q Log(Q/K) Log(Q/K)/S Affinity Log Fugacity 1 H2O,gas 0.21 -0.00 -0.21 -0.210 0.53039E+03 1.709 2 CO2,gas -8.15 -8.91 -0.77 -0.256 0.19443E+04 1.150 3 CH4,gas 5.25 3.42 -1.84 -0.459 0.46467E+04 0.083 4 H2,gas 5.95 3.08 -2.87 -1.639 0.72598E+04 -0.950 5 H2S,gas -7.06 -9.84 -2.78 -1.390 0.70368E+04 -0.862 6 CO,gas -0.66 -5.83 -5.17 -1.590 0.13080E+05 -3.250 7 SO2,gas -6.23 -19.09 -12.86 -3.430 0.32554E+05 -10.943 8 HF,gas -3.29 -10.04 -6.75 -3.373 0.17076E+05 -4.828 9 HCl,gas 0.78 -7.79 -8.57 -4.284 0.21686E+05 -6.649 10 Hg,gas -8.03 -16.45 -8.42 -1.772 0.21310E+05 -6.501 11 acmite 4.48 1.10 -3.39 -0.352 0.85714E+04 15 albite-high -3.90 -5.86 -1.96 -0.150 0.49513E+04 16 albite -4.34 -5.86 -1.52 -0.117 0.38379E+04 20 analcite -1.52 -3.76 -2.24 -0.249 0.56698E+04 21 andalusite -6.44 -9.88 -3.43 -0.343 0.86917E+04 25 ankerite -7.00 -8.88 -1.87 -0.312 0.47405E+04 26 annite 5.52 0.79 -4.73 -0.263 0.11968E+05 27 phlogopite 10.61 6.32 -4.29 -0.238 0.10854E+05 29 anorthite -2.39 -5.54 -3.15 -0.243 0.79802E+04 32 aragonite -1.66 -2.47 -0.81 -0.272 0.20624E+04 33 brucite 7.65 4.35 -3.31 -0.661 0.83689E+04 34 calcite -1.81 -2.47 -0.67 -0.222 0.16835E+04 35 carnegieite-low 2.20 -1.65 -3.85 -0.550 0.97402E+04 36 carnegieite-high 2.66 -1.65 -4.31 -0.616 0.10909E+05 37 carpholite-Mg -3.84 -7.64 -3.80 -0.253 0.96172E+04 38 carpholite-Fe -5.23 -9.48 -4.25 -0.283 0.10763E+05 39 celadonite -0.52 -4.49 -3.97 -0.233 0.10044E+05 40 celadonite-Fe -1.79 -6.33 -4.54 -0.267 0.11499E+05 41 chrysotile 13.05 8.84 -4.21 -0.350 0.10645E+05 43 clinochlore 12.06 7.66 -4.41 -0.138 0.11151E+05 47 chloritoid-Mg -1.47 -5.53 -4.06 -0.271 0.10285E+05 48 chloritoid-Fe -4.12 -7.37 -3.25 -0.217 0.82300E+04 51 coesite -1.63 -2.10 -0.47 -0.157 0.11926E+04 56 corundum -4.10 -7.77 -3.67 -0.334 0.92913E+04 58 cristobalite -1.88 -2.10 -0.22 -0.073 0.55530E+03 61 cymrite-K -2.32 -6.73 -4.41 -0.368 0.11170E+05 63 diaspore -2.34 -3.89 -1.55 -0.259 0.39264E+04 64 diamond -1.77 -2.75 -0.98 -0.280 0.24773E+04 65 diopside 8.67 6.59 -2.08 -0.208 0.52648E+04 66 hedenbergite 7.18 4.74 -2.44 -0.244 0.61666E+04 67 dolomite,ordered -5.05 -7.03 -1.99 -0.331 0.50263E+04 69 enstatite 8.37 4.49 -3.87 -0.387 0.98067E+04 70 clinoenstatite-HiP 9.12 4.49 -4.62 -0.462 0.11701E+05 71 clinoenstatite 8.31 4.49 -3.81 -0.381 0.96516E+04 72 protoenstatite 8.67 4.49 -4.18 -0.418 0.10569E+05 73 epidote 4.09 -0.24 -4.32 -0.210 0.10946E+05 74 clinozoisite -0.24 -5.09 -4.85 -0.220 0.12278E+05 76 fayalite 6.02 2.91 -3.11 -0.444 0.78666E+04 77 ferrosilite 4.06 0.81 -3.25 -0.325 0.82385E+04 78 forsterite 10.90 6.60 -4.31 -0.616 0.10906E+05 81 gibbsite -0.93 -3.89 -2.96 -0.422 0.74836E+04 84 goethite 2.92 0.96 -1.96 -0.424 0.49593E+04 85 graphite -2.14 -2.75 -0.61 -0.174 0.15390E+04 86 greenalite 7.46 3.31 -4.15 -0.346 0.10498E+05 88 halite 0.68 -3.45 -4.12 -2.061 0.10432E+05 89 hematite 4.86 1.93 -2.93 -0.355 0.74174E+04 90 heulandite -13.16 -16.07 -2.91 -0.132 0.73624E+04 94 jadeite -0.65 -3.76 -3.11 -0.311 0.78619E+04 96 kalsilite 1.42 -2.52 -3.94 -0.563 0.99823E+04 97 kaolinite -8.89 -11.99 -3.09 -0.281 0.78259E+04 98 kyanite -6.37 -9.88 -3.51 -0.351 0.88774E+04 100 laumontite -6.61 -9.75 -3.14 -0.209 0.79507E+04 101 lawsonite -2.04 -5.54 -3.50 -0.234 0.88692E+04 102 leucite -1.28 -4.63 -3.34 -0.334 0.84598E+04 104 lizardite 12.84 8.84 -4.00 -0.333 0.10124E+05 105 magnesite -2.63 -4.56 -1.93 -0.643 0.48827E+04 106 magnetite 8.16 4.44 -3.73 -0.304 0.94326E+04 107 minnesotaite 2.71 -0.89 -3.61 -0.212 0.91342E+04 115 microcline -5.39 -6.73 -1.35 -0.103 0.34056E+04 118 mullite-Si -5.07 -9.88 -4.81 -0.481 0.12177E+05 119 muscovite -10.77 -14.51 -3.73 -0.220 0.94511E+04 120 paragonite -9.88 -13.64 -3.76 -0.221 0.95055E+04 121 nepheline 1.70 -1.65 -3.36 -0.480 0.84958E+04 126 periclase 9.28 4.35 -4.93 -1.233 0.12484E+05 127 periclase-Fe 6.08 2.51 -3.57 -0.892 0.90353E+04 133 phlogopite-Na 11.99 7.19 -4.80 -0.267 0.12155E+05 135 prehnite 2.69 -1.20 -3.89 -0.229 0.98511E+04 136 prehnite-Fe 7.72 3.65 -4.07 -0.245 0.10297E+05 141 pyrite -19.85 -20.25 -0.40 -0.093 0.10043E+04 142 pyrrhotite -6.37 -7.33 -0.96 -0.319 0.24207E+04 143 pyrrhotiteFe0.875 -7.44 -8.03 -0.58 -0.215 0.14784E+04 144 pyroxmangite 3.93 -0.87 -4.80 -0.960 0.12144E+05 145 pyrophyllite -13.09 -16.19 -3.10 -0.194 0.78551E+04 146 quartz -2.07 -2.10 -0.03 -0.011 0.85423E+02 149 ringwoodite-Fe 7.19 2.91 -4.28 -0.611 0.10825E+05 151 rhodochrosite -3.16 -7.68 -4.52 -1.508 0.11447E+05 152 rhodonite 3.94 -0.87 -4.81 -0.962 0.12173E+05 153 sanidine -4.57 -6.73 -2.16 -0.166 0.54727E+04 155 siderite -4.93 -6.41 -1.48 -0.492 0.37394E+04 156 sillimanite -6.31 -9.88 -3.56 -0.356 0.90221E+04 163 stilbite -11.67 -16.07 -4.40 -0.210 0.11144E+05 166 stishovite 2.07 -2.10 -4.17 -1.390 0.10558E+05 169 sulfur -8.98 -12.92 -3.94 -1.211 0.99652E+04 171 talc 7.27 4.63 -2.63 -0.155 0.66638E+04 178 topaz-H -5.39 -9.88 -4.49 -0.408 0.11361E+05 179 tridymite -1.91 -2.10 -0.20 -0.066 0.50063E+03 182 troilite-low -6.38 -7.33 -0.95 -0.316 0.23997E+04 186 wadsleyite-Fe 7.21 2.91 -4.29 -0.613 0.10870E+05 188 wairakite -7.24 -9.75 -2.51 -0.148 0.63645E+04 189 walstromite 7.04 4.34 -2.70 -0.540 0.68361E+04 190 wollastonite 6.35 4.34 -2.01 -0.402 0.50895E+04 191 pseudo-wollastonite 6.63 4.34 -2.30 -0.459 0.58092E+04 192 zoisite -0.21 -5.09 -4.88 -0.222 0.12346E+05 193 beidellite-Ca -11.81 -15.72 -3.90 -0.242 0.98822E+04 194 beidellite-H -12.07 -16.78 -4.71 -0.301 0.11921E+05 195 beidellite-K -11.11 -15.64 -4.52 -0.277 0.11443E+05 196 beidellite-Mg -12.06 -16.06 -4.00 -0.247 0.10118E+05 197 beidellite-Na -11.08 -15.35 -4.27 -0.262 0.10815E+05 200 chalcedony -1.94 -2.10 -0.16 -0.053 0.40364E+03 201 chalcocite -19.41 -20.66 -1.25 -0.313 0.31670E+04 202 covellite -14.89 -16.79 -1.91 -0.726 0.48225E+04 204 montmorillonite-Ca -9.59 -12.41 -2.82 -0.174 0.71316E+04 205 montmorillonite-K -9.04 -12.33 -3.29 -0.202 0.83342E+04 206 montmorillonite-Mg -9.86 -12.76 -2.89 -0.179 0.73212E+04 207 montmorillonite-Na -8.89 -12.04 -3.15 -0.193 0.79772E+04 209 nontronite-Ca -2.37 -6.01 -3.65 -0.236 0.92275E+04 210 nontronite-H -2.63 -7.07 -4.45 -0.298 0.11253E+05 211 nontronite-K -1.67 -5.93 -4.26 -0.274 0.10786E+05 212 nontronite-Mg -2.61 -6.36 -3.74 -0.243 0.94719E+04 213 nontronite-Na -1.63 -5.64 -4.01 -0.258 0.10161E+05 215 topaz -25.54 -29.95 -4.41 -0.490 0.11167E+05 229 tobermorite 7.87 3.26 -4.61 -1.258 0.11670E+05 235 alabandite -3.70 -8.60 -4.91 -1.636 0.12424E+05 240 boehmite -1.57 -3.89 -2.32 -0.386 0.58596E+04 242 chalcopyrite -24.26 -24.12 0.13 0.025 -0.33890E+03 245 copper,native -0.65 -3.87 -3.22 -1.121 0.81599E+04 246 dolomite,disordered -4.78 -7.03 -2.26 -0.376 0.57083E+04 247 ferrous-oxide 4.79 2.51 -2.28 -0.571 0.57775E+04 248 fluorite -12.19 -13.63 -1.44 -0.479 0.36384E+04 249 galena -10.07 -11.40 -1.32 -0.442 0.33527E+04 257 silica-amorphous -1.63 -2.10 -0.48 -0.159 0.12083E+04 260 sphalerite -10.34 -12.47 -2.13 -0.710 0.53914E+04 261 wurtzite -9.11 -12.47 -3.36 -1.120 0.85063E+04 263 an20ab80 -4.17 -5.80 -1.63 -0.125 0.41170E+04 264 an25ab75 -4.10 -5.78 -1.68 -0.129 0.42560E+04 265 an30ab70 -4.02 -5.76 -1.74 -0.134 0.44097E+04 266 tr.625ac.25prg.125 19.38 14.57 -4.81 -0.130 0.12178E+05 271 FeS-amorphous -4.42 -7.33 -2.91 -0.971 0.73700E+04 ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ Test file for CHIM-XPT. Boil Broadlands Water Water similar to Broadlands Well No. 2 CHIMRUN demo-2a ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ Number of loops used = 7 Loop limit = 200 Temperature = 280.00 C Pressure = 82.86 bar Mixer fraction = 0.0000000 Total current enthalpy = 0.0000 KCAL Water: Moles liquid = 0.5568E+02 kg liquid = 0.1003E+01 Moles total = 0.5551E+02 kg total = 0.1000E+01 Activity = 0.9967 Stoichiometric ionic strength = .1203208E+00 Osmotic coef. = 0.8810 True ionic strength = .3096654E-01 Chg. balance for total moles = 0.2402E-07 Max. difference allowed = 0.3072E-05 Log Log Log Species(n) Molality Molality Activity Activity Gamma Gamma 1 H+ 0.12289E-05 -5.9105 0.84894E-06 -6.0711 0.69082E+00 -0.1606 2 H2O 0.99666E+00 -0.0015 0.99666E+00 -0.0015 3 Cl- 0.28430E-01 -1.5462 0.19314E-01 -1.7141 0.67934E+00 -0.1679 4 SO4-- 0.38982E-09 -9.4091 0.92985E-10 -10.0316 0.23853E+00 -0.6225 5 HCO3- 0.20945E-02 -2.6789 0.14329E-02 -2.8438 0.68416E+00 -0.1648 6 HS- 0.25124E-03 -3.5999 0.17081E-03 -3.7675 0.67985E+00 -0.1676 7 H4SiO4 0.78217E-02 -2.1067 0.78217E-02 -2.1067 0.10000E+01 0.0000 8 Al+++ 0.20462E-20 -20.6890 0.79676E-22 -22.0987 0.38938E-01 -1.4096 9 Ca++ 0.86246E-05 -5.0643 0.20051E-05 -5.6979 0.23249E+00 -0.6336 10 Mg++ 0.71031E-07 -7.1486 0.16188E-07 -7.7908 0.22791E+00 -0.6422 11 Fe++ 0.63633E-09 -9.1963 0.14574E-09 -9.8364 0.22903E+00 -0.6401 12 K+ 0.36468E-02 -2.4381 0.25000E-02 -2.6021 0.68553E+00 -0.1640 13 Na+ 0.27266E-01 -1.5644 0.18533E-01 -1.7321 0.67970E+00 -0.1677 14 Mn++ 0.53772E-10 -10.2694 0.12361E-10 -10.9080 0.22987E+00 -0.6385 15 Zn++ 0.74128E-14 -14.1300 0.16978E-14 -14.7701 0.22903E+00 -0.6401 16 Cu+ 0.36793E-11 -11.4342 0.25002E-11 -11.6020 0.67953E+00 -0.1678 17 Pb++ 0.84178E-13 -13.0748 0.19808E-13 -13.7032 0.23531E+00 -0.6284 18 Hg++ 0.90684E-31 -31.0425 0.21218E-31 -31.6733 0.23398E+00 -0.6308 19 F- 0.16197E-03 -3.7906 0.10856E-03 -3.9643 0.67024E+00 -0.1738 21 HSiO3- 0.74657E-05 -5.1269 0.50717E-05 -5.2948 0.67934E+00 -0.1679 22 Ca(HSiO3)+ 0.27282E-07 -7.5641 0.18720E-07 -7.7277 0.68615E+00 -0.1636 23 Mg(HSiO3)+ 0.13753E-09 -9.8616 0.94363E-10 -10.0252 0.68615E+00 -0.1636 24 NaHSiO3,aq 0.18393E-05 -5.7353 0.18393E-05 -5.7353 0.10000E+01 0.0000 27 HAlO2,aq 0.39179E-08 -8.4069 0.39179E-08 -8.4069 0.10000E+01 0.0000 28 AlO2- 0.34211E-06 -6.4658 0.22979E-06 -6.6387 0.67169E+00 -0.1728 29 CH4,aq 0.41486E-02 -2.3821 0.40230E-02 -2.3954 0.96972E+00 -0.0134 30 C2H6,aq 0.13746E-07 -7.8618 0.13330E-07 -7.8752 0.96972E+00 -0.0134 34 CO,aq 0.27467E-05 -5.5612 0.27467E-05 -5.5612 0.10000E+01 0.0000 35 CO2,aq 0.17626E+00 -0.7538 0.17092E+00 -0.7672 0.96972E+00 -0.0134 36 CO3-2 0.44983E-07 -7.3470 0.10640E-07 -7.9731 0.23654E+00 -0.6261 37 CaCO3,aq 0.19169E-06 -6.7174 0.19169E-06 -6.7174 0.10000E+01 0.0000 38 Ca(HCO3)+ 0.12921E-04 -4.8887 0.88660E-05 -5.0523 0.68615E+00 -0.1636 39 CaCl+ 0.12059E-04 -4.9187 0.82741E-05 -5.0823 0.68615E+00 -0.1636 40 CaCl2,aq 0.25734E-06 -6.5895 0.25734E-06 -6.5895 0.10000E+01 0.0000 41 CaF+ 0.73862E-06 -6.1316 0.50680E-06 -6.2952 0.68615E+00 -0.1636 42 CaOH+ 0.68414E-06 -6.1649 0.46942E-06 -6.3284 0.68615E+00 -0.1636 44 HCl,aq 0.10772E-06 -6.9677 0.10772E-06 -6.9677 0.10000E+01 0.0000 53 CuCl,aq 0.70717E-09 -9.1505 0.70717E-09 -9.1505 0.10000E+01 0.0000 54 CuCl2- 0.47703E-09 -9.3215 0.32406E-09 -9.4894 0.67934E+00 -0.1679 61 HF,aq 0.63122E-04 -4.1998 0.63122E-04 -4.1998 0.10000E+01 0.0000 62 HF2- 0.28923E-08 -8.5388 0.19648E-08 -8.7067 0.67934E+00 -0.1679 64 FeCl+ 0.53210E-09 -9.2740 0.36510E-09 -9.4376 0.68615E+00 -0.1636 65 FeCl2,aq 0.11059E-09 -9.9563 0.11059E-09 -9.9563 0.10000E+01 0.0000 67 FeF+ 0.64581E-10 -10.1899 0.44313E-10 -10.3535 0.68615E+00 -0.1636 69 FeO,aq 0.12017E-08 -8.9202 0.12017E-08 -8.9202 0.10000E+01 0.0000 70 FeOH+ 0.22730E-08 -8.6434 0.15596E-08 -8.8070 0.68615E+00 -0.1636 71 HFeO2- 0.67253E-10 -10.1723 0.45688E-10 -10.3402 0.67934E+00 -0.1679 74 FeO2- 0.57250E-10 -10.2422 0.38892E-10 -10.4101 0.67934E+00 -0.1679 75 HFeO2,aq 0.64551E-10 -10.1901 0.64551E-10 -10.1901 0.10000E+01 0.0000 76 H2,aq 0.38070E-03 -3.4194 0.36917E-03 -3.4328 0.96972E+00 -0.0134 77 Hg,aq 0.37412E-08 -8.4270 0.36279E-08 -8.4403 0.96972E+00 -0.0134 90 KCl,aq 0.57265E-04 -4.2421 0.57265E-04 -4.2421 0.10000E+01 0.0000 92 KOH,aq 0.12288E-06 -6.9105 0.12288E-06 -6.9105 0.10000E+01 0.0000 93 KSO4- 0.21306E-09 -9.6715 0.14474E-09 -9.8394 0.67934E+00 -0.1679 94 MgCO3,aq 0.15240E-09 -9.8170 0.15240E-09 -9.8170 0.10000E+01 0.0000 95 Mg(HCO3)+ 0.90027E-07 -7.0456 0.61772E-07 -7.2092 0.68615E+00 -0.1636 96 MgCl+ 0.41619E-07 -7.3807 0.28557E-07 -7.5443 0.68615E+00 -0.1636 97 MgF+ 0.15344E-07 -7.8141 0.10528E-07 -7.9777 0.68615E+00 -0.1636 98 MgOH+ 0.16511E-07 -7.7822 0.11329E-07 -7.9458 0.68615E+00 -0.1636 102 MnOH+ 0.29770E-10 -10.5262 0.20426E-10 -10.6898 0.68615E+00 -0.1636 107 MnCl+ 0.11299E-08 -8.9469 0.77530E-09 -9.1105 0.68615E+00 -0.1636 109 NaCl,aq 0.21250E-02 -2.6726 0.21250E-02 -2.6726 0.10000E+01 0.0000 110 NaF,aq 0.10273E-04 -4.9883 0.10273E-04 -4.9883 0.10000E+01 0.0000 111 NaOH,aq 0.56556E-06 -6.2475 0.56556E-06 -6.2475 0.10000E+01 0.0000 113 OH- 0.10686E-04 -4.9712 0.71777E-05 -5.1440 0.67169E+00 -0.1728 124 Pb(HS)2,aq 0.10795E-07 -7.9668 0.10795E-07 -7.9668 0.10000E+01 0.0000 125 Pb(HS)3- 0.15710E-09 -9.8038 0.10672E-09 -9.9717 0.67934E+00 -0.1679 126 H2S,aq 0.54443E-02 -2.2641 0.52795E-02 -2.2774 0.96972E+00 -0.0134 127 S2-2 0.29020E-10 -10.5373 0.68642E-11 -11.1634 0.23654E+00 -0.6261 135 HSO4- 0.71127E-10 -10.1480 0.48961E-10 -10.3101 0.68836E+00 -0.1622 149 ZnCl+ 0.24709E-10 -10.6072 0.16954E-10 -10.7707 0.68615E+00 -0.1636 154 ZnOH+ 0.46376E-10 -10.3337 0.31821E-10 -10.4973 0.68615E+00 -0.1636 158 AlF2+ 0.36360E-08 -8.4394 0.24949E-08 -8.6030 0.68615E+00 -0.1636 159 AlF3,aq 0.58279E-06 -6.2345 0.58279E-06 -6.2345 0.10000E+01 0.0000 160 AlF4- 0.12951E-05 -5.8877 0.87977E-06 -6.0556 0.67934E+00 -0.1679 161 AlF5-- 0.19201E-07 -7.7167 0.45419E-08 -8.3428 0.23654E+00 -0.6261 164 Cu(HS)2- 0.45975E-07 -7.3375 0.31232E-07 -7.5054 0.67934E+00 -0.1679 165 CuH4S3-a 0.56067E-10 -10.2513 0.38088E-10 -10.4192 0.67934E+00 -0.1679 166 CuH4S3-b 0.40767E-10 -10.3897 0.27694E-10 -10.5576 0.67934E+00 -0.1679 177 HgH4S3,aq 0.23984E-09 -9.6201 0.23984E-09 -9.6201 0.10000E+01 0.0000 180 MnCl2,aq 0.13470E-08 -8.8706 0.13470E-08 -8.8706 0.10000E+01 0.0000 181 MnCl3- 0.16412E-09 -9.7848 0.11149E-09 -9.9528 0.67934E+00 -0.1679 183 NaCO3- 0.11408E-07 -7.9428 0.77497E-08 -8.1107 0.67934E+00 -0.1679 184 NaHCO3,aq 0.12319E-03 -3.9094 0.12319E-03 -3.9094 0.10000E+01 0.0000 185 NaHS,aq 0.14684E-04 -4.8332 0.14684E-04 -4.8332 0.10000E+01 0.0000 186 NaSO4- 0.27508E-09 -9.5605 0.18687E-09 -9.7285 0.67934E+00 -0.1679 187 PbCO3,aq 0.11787E-10 -10.9286 0.11787E-10 -10.9286 0.10000E+01 0.0000 188 PbOH+ 0.28556E-10 -10.5443 0.19593E-10 -10.7079 0.68615E+00 -0.1636 189 PbH4S3,aq 0.65532E-10 -10.1835 0.65532E-10 -10.1835 0.10000E+01 0.0000 193 Zn(HS)2,aq 0.15097E-07 -7.8211 0.15097E-07 -7.8211 0.10000E+01 0.0000 194 Zn(HS)3- 0.81532E-10 -10.0887 0.55388E-10 -10.2566 0.67934E+00 -0.1679 Charge balance for all species = 0.2395E-07 Component Molality Aq.molality ppm log[A(N)/A(H+)**Z] (total) 1 H+ 0.1228893E-05 0.1816535E+00 0.1811356E+03 0.0000 2 H2O 0.1000000E+01 0.5533652E+02 0.9862315E+06 0.0000 3 Cl- 0.2843012E-01 0.3062512E-01 0.1074129E+04 4.3570 4 SO4-- 0.3898200E-09 -.4244528E-02 -.4033710E+03 2.1107 5 HCO3- 0.2094453E-02 0.1826432E+00 0.1102507E+05 3.2273 6 HS- 0.2512436E-03 0.9954914E-02 0.3257043E+03 2.3036 7 H4SiO4 0.7821710E-02 0.7831043E-02 0.7446258E+03 -2.1067 8 Al+++ 0.2046239E-20 0.2246708E-05 0.5997057E-01 -3.8853 9 Ca++ 0.8624621E-05 0.3550382E-04 0.1407689E+01 6.4444 10 Mg++ 0.7103098E-07 0.2348215E-06 0.5647863E-02 4.3514 11 Fe++ 0.6363324E-09 0.5008322E-08 0.2767054E-03 2.3058 12 K+ 0.3646817E-02 0.3704204E-02 0.1432912E+03 3.4691 13 Na+ 0.2726575E-01 0.2954132E-01 0.6718783E+03 4.3391 14 Mn++ 0.5377240E-10 0.2731945E-08 0.1484808E-03 1.2343 15 Zn++ 0.7412785E-14 0.1525266E-07 0.9863924E-03 -2.6279 16 Cu+ 0.3679344E-11 0.4725990E-07 0.2970746E-02 -5.5309 17 Pb++ 0.8417771E-13 0.1106566E-07 0.2268149E-02 -1.5609 18 Hg++ 0.9068449E-31 0.3987625E-08 0.7913144E-03 -19.5311 19 F- 0.1619682E-03 0.2431554E-03 0.4570011E+01 2.1068 Component Tot moles Aq. moles Solid moles Gas moles 1 H+ 0.1822172E+00 0.1822172E+00 -.8606332E-08 0.0000000E+00 2 H2O 0.5550825E+02 0.5550825E+02 -.1496753E-08 0.0000000E+00 3 Cl- 0.3072017E-01 0.3072017E-01 0.0000000E+00 0.0000000E+00 4 SO4-- -.4257700E-02 -.4257700E-02 0.3741884E-09 0.0000000E+00 5 HCO3- 0.1832100E+00 0.1832100E+00 0.0000000E+00 0.0000000E+00 6 HS- 0.9985820E-02 0.9985808E-02 0.1159984E-07 0.0000000E+00 7 H4SiO4 0.7855346E-02 0.7855346E-02 0.0000000E+00 0.0000000E+00 8 Al+++ 0.2253680E-05 0.2253680E-05 0.0000000E+00 0.0000000E+00 9 Ca++ 0.3561400E-04 0.3561400E-04 0.0000000E+00 0.0000000E+00 10 Mg++ 0.2355503E-06 0.2355503E-06 0.0000000E+00 0.0000000E+00 11 Fe++ 0.8017372E-08 0.5023865E-08 0.2993507E-08 0.0000000E+00 12 K+ 0.3715700E-02 0.3715700E-02 0.0000000E+00 0.0000000E+00 13 Na+ 0.2963300E-01 0.2963300E-01 0.0000000E+00 0.0000000E+00 14 Mn++ 0.2740424E-08 0.2740424E-08 0.0000000E+00 0.0000000E+00 15 Zn++ 0.1530000E-07 0.1530000E-07 0.0000000E+00 0.0000000E+00 16 Cu+ 0.6237410E-07 0.4740657E-07 0.1496753E-07 0.0000000E+00 17 Pb++ 0.1110000E-07 0.1110000E-07 0.0000000E+00 0.0000000E+00 18 Hg++ 0.4000000E-08 0.4000000E-08 0.0000000E+00 0.0000000E+00 19 F- 0.2439100E-03 0.2439100E-03 0.0000000E+00 0.0000000E+00 Chg. balance for solid moles: 0.0000E+00 Mass of aqueous solution: 0.101396E+04 g Temperature = 280.00 C Pressure = 82.86 bar Mixer frac. = 0.0000000 Log Log Vol Gas or mineral Moles Moles Grams Grams Wt.% (cm3) bornite 0.2994E-08 -8.524 0.1502E-05 -5.823 100.0 0.2955E-06 Partial press. Fugacity coef Log fugacity Gas or Mineral Mole fraction or activity Activity coef Log activity bornite 0.1000E+01 0.1000E+01 1.0000 0.000 Solid products produced: Mass = 0.000002 g Volume = 0.000000 cm3 WARNING: mineral volume may be in error because some mineral densities were not supplied in SOLTHERM. See mineral list in file Skip_Species.txt. Gas composition at saturation ( 4 iterations) ------------------------------------------------- Temperature: 280.0000 deg.C Sat. pressure: 82.8578 bar Gas Mole fraction phi Fugacity Partial P(bar) H2O,gas 0.8075E+00 0.7644 0.5114E+02 0.6691E+02 CO2,gas 0.1771E+00 0.9629 0.1413E+02 0.1468E+02 CH4,gas 0.1225E-01 1.1912 0.1209E+01 0.1015E+01 H2,gas 0.1315E-02 1.0299 0.1122E+00 0.1090E+00 H2S,gas 0.1823E-02 0.9101 0.1375E+00 0.1511E+00 CO,gas 0.6794E-05 1.0000 0.5630E-03 0.5630E-03 SO2,gas 0.1376E-12 1.0000 0.1140E-10 0.1140E-10 HF,gas 0.1792E-06 1.0000 0.1485E-04 0.1485E-04 HCl,gas 0.2706E-08 1.0000 0.2242E-06 0.2242E-06 Hg,gas 0.3810E-08 1.0000 0.3157E-06 0.3157E-06 NON-Ideal mixing with H2O, CO2, CH4 Gases ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ The following gases and minerals are presently in matrix or were just added Gas or Mineral Log K Log Q Log(Q/K) Log(Q/K)/S Affinity Log Fugacity 198 bornite -66.24 -66.24 0.00 0.000 0.00000E+00 1 H2O,gas 0.21 -0.00 -0.21 -0.210 0.53039E+03 2 CO2,gas -8.15 -8.91 -0.77 -0.256 0.19443E+04 3 CH4,gas 5.25 3.42 -1.84 -0.459 0.46467E+04 4 H2,gas 5.95 3.08 -2.87 -1.639 0.72598E+04 5 H2S,gas -7.06 -9.84 -2.78 -1.390 0.70368E+04 6 CO,gas -0.66 -5.83 -5.17 -1.590 0.13080E+05 7 SO2,gas -6.23 -19.09 -12.86 -3.430 0.32554E+05 8 HF,gas -3.29 -10.04 -6.75 -3.373 0.17076E+05 9 HCl,gas 0.78 -7.79 -8.57 -4.284 0.21686E+05 10 Hg,gas -8.03 -16.45 -8.42 -1.772 0.21310E+05 The following gases and minerals are presently EXCLUDED from matrix (Gases and minerals with log(Q/K) less than -5 are not listed below) Gas or Mineral Log K Log Q Log(Q/K) Log(Q/K)/S Affinity Log Fugacity 11 acmite 4.48 0.89 -3.59 -0.373 0.90852E+04 15 albite-high -3.90 -5.86 -1.96 -0.150 0.49513E+04 16 albite -4.34 -5.86 -1.52 -0.117 0.38379E+04 20 analcite -1.52 -3.76 -2.24 -0.249 0.56698E+04 21 andalusite -6.44 -9.88 -3.43 -0.343 0.86917E+04 25 ankerite -7.00 -9.08 -2.08 -0.346 0.52542E+04 27 phlogopite 10.61 6.32 -4.29 -0.238 0.10854E+05 29 anorthite -2.39 -5.54 -3.15 -0.243 0.79802E+04 32 aragonite -1.66 -2.47 -0.81 -0.272 0.20624E+04 33 brucite 7.65 4.35 -3.31 -0.661 0.83689E+04 34 calcite -1.81 -2.47 -0.67 -0.222 0.16835E+04 35 carnegieite-low 2.20 -1.65 -3.85 -0.550 0.97402E+04 36 carnegieite-high 2.66 -1.65 -4.31 -0.616 0.10909E+05 37 carpholite-Mg -3.84 -7.64 -3.80 -0.253 0.96172E+04 38 carpholite-Fe -5.23 -9.68 -4.46 -0.297 0.11277E+05 39 celadonite -0.52 -4.49 -3.97 -0.233 0.10044E+05 40 celadonite-Fe -1.79 -6.53 -4.75 -0.279 0.12012E+05 41 chrysotile 13.05 8.84 -4.21 -0.350 0.10645E+05 43 clinochlore 12.06 7.66 -4.41 -0.138 0.11151E+05 47 chloritoid-Mg -1.47 -5.53 -4.06 -0.271 0.10285E+05 48 chloritoid-Fe -4.12 -7.58 -3.45 -0.230 0.87438E+04 51 coesite -1.63 -2.10 -0.47 -0.157 0.11926E+04 56 corundum -4.10 -7.77 -3.67 -0.334 0.92913E+04 58 cristobalite -1.88 -2.10 -0.22 -0.073 0.55530E+03 61 cymrite-K -2.32 -6.73 -4.41 -0.368 0.11170E+05 63 diaspore -2.34 -3.89 -1.55 -0.259 0.39264E+04 64 diamond -1.77 -2.75 -0.98 -0.280 0.24773E+04 65 diopside 8.67 6.59 -2.08 -0.208 0.52648E+04 66 hedenbergite 7.18 4.54 -2.64 -0.264 0.66803E+04 67 dolomite,ordered -5.05 -7.03 -1.99 -0.331 0.50263E+04 69 enstatite 8.37 4.49 -3.87 -0.387 0.98067E+04 70 clinoenstatite-HiP 9.12 4.49 -4.62 -0.462 0.11701E+05 71 clinoenstatite 8.31 4.49 -3.81 -0.381 0.96516E+04 72 protoenstatite 8.67 4.49 -4.18 -0.418 0.10569E+05 73 epidote 4.09 -0.44 -4.53 -0.220 0.11460E+05 74 clinozoisite -0.24 -5.09 -4.85 -0.220 0.12278E+05 76 fayalite 6.02 2.50 -3.51 -0.502 0.88942E+04 77 ferrosilite 4.06 0.40 -3.66 -0.366 0.92661E+04 78 forsterite 10.90 6.60 -4.31 -0.616 0.10906E+05 81 gibbsite -0.93 -3.89 -2.96 -0.422 0.74836E+04 84 goethite 2.92 0.76 -2.16 -0.468 0.54731E+04 85 graphite -2.14 -2.75 -0.61 -0.174 0.15390E+04 86 greenalite 7.46 2.70 -4.76 -0.396 0.12040E+05 88 halite 0.68 -3.45 -4.12 -2.061 0.10432E+05 89 hematite 4.86 1.52 -3.34 -0.404 0.84450E+04 90 heulandite -13.16 -16.07 -2.91 -0.132 0.73624E+04 94 jadeite -0.65 -3.76 -3.11 -0.311 0.78619E+04 96 kalsilite 1.42 -2.52 -3.94 -0.563 0.99823E+04 97 kaolinite -8.89 -11.99 -3.09 -0.281 0.78259E+04 98 kyanite -6.37 -9.88 -3.51 -0.351 0.88774E+04 100 laumontite -6.61 -9.75 -3.14 -0.209 0.79507E+04 101 lawsonite -2.04 -5.54 -3.50 -0.234 0.88691E+04 102 leucite -1.28 -4.63 -3.34 -0.334 0.84598E+04 104 lizardite 12.84 8.84 -4.00 -0.333 0.10124E+05 105 magnesite -2.63 -4.56 -1.93 -0.643 0.48827E+04 106 magnetite 8.16 3.83 -4.34 -0.354 0.10974E+05 107 minnesotaite 2.71 -1.50 -4.22 -0.248 0.10676E+05 115 microcline -5.39 -6.73 -1.35 -0.103 0.34056E+04 118 mullite-Si -5.07 -9.88 -4.81 -0.481 0.12177E+05 119 muscovite -10.77 -14.51 -3.73 -0.220 0.94510E+04 120 paragonite -9.88 -13.64 -3.76 -0.221 0.95055E+04 121 nepheline 1.70 -1.65 -3.36 -0.480 0.84957E+04 126 periclase 9.28 4.35 -4.93 -1.233 0.12484E+05 127 periclase-Fe 6.08 2.30 -3.77 -0.943 0.95491E+04 133 phlogopite-Na 11.99 7.19 -4.80 -0.267 0.12155E+05 135 prehnite 2.69 -1.20 -3.89 -0.229 0.98510E+04 136 prehnite-Fe 7.72 3.45 -4.27 -0.257 0.10811E+05 141 pyrite -19.85 -20.45 -0.60 -0.141 0.15181E+04 142 pyrrhotite -6.37 -7.53 -1.16 -0.386 0.29345E+04 143 pyrrhotiteFe0.875 -7.44 -8.20 -0.76 -0.280 0.19280E+04 144 pyroxmangite 3.93 -0.87 -4.80 -0.960 0.12144E+05 145 pyrophyllite -13.09 -16.19 -3.10 -0.194 0.78551E+04 146 quartz -2.07 -2.10 -0.03 -0.011 0.85423E+02 149 ringwoodite-Fe 7.19 2.50 -4.68 -0.669 0.11852E+05 151 rhodochrosite -3.16 -7.68 -4.52 -1.508 0.11447E+05 152 rhodonite 3.94 -0.87 -4.81 -0.962 0.12173E+05 153 sanidine -4.57 -6.73 -2.16 -0.166 0.54727E+04 155 siderite -4.93 -6.61 -1.68 -0.560 0.42532E+04 156 sillimanite -6.31 -9.88 -3.56 -0.356 0.90221E+04 163 stilbite -11.67 -16.07 -4.40 -0.210 0.11144E+05 166 stishovite 2.07 -2.10 -4.17 -1.390 0.10558E+05 169 sulfur -8.98 -12.92 -3.94 -1.211 0.99652E+04 171 talc 7.27 4.63 -2.63 -0.155 0.66638E+04 178 topaz-H -5.39 -9.88 -4.49 -0.408 0.11361E+05 179 tridymite -1.91 -2.10 -0.20 -0.066 0.50063E+03 182 troilite-low -6.38 -7.53 -1.15 -0.384 0.29135E+04 186 wadsleyite-Fe 7.21 2.50 -4.70 -0.671 0.11897E+05 188 wairakite -7.24 -9.75 -2.51 -0.148 0.63645E+04 189 walstromite 7.04 4.34 -2.70 -0.540 0.68361E+04 190 wollastonite 6.35 4.34 -2.01 -0.402 0.50895E+04 191 pseudo-wollastonite 6.63 4.34 -2.30 -0.459 0.58092E+04 192 zoisite -0.21 -5.09 -4.88 -0.222 0.12346E+05 193 beidellite-Ca -11.81 -15.72 -3.90 -0.242 0.98822E+04 194 beidellite-H -12.07 -16.78 -4.71 -0.301 0.11921E+05 195 beidellite-K -11.11 -15.64 -4.52 -0.277 0.11443E+05 196 beidellite-Mg -12.06 -16.06 -4.00 -0.247 0.10118E+05 197 beidellite-Na -11.08 -15.35 -4.27 -0.262 0.10815E+05 200 chalcedony -1.94 -2.10 -0.16 -0.053 0.40364E+03 201 chalcocite -19.41 -20.90 -1.49 -0.372 0.37703E+04 202 covellite -14.89 -16.91 -2.02 -0.771 0.51241E+04 204 montmorillonite-Ca -9.59 -12.41 -2.82 -0.174 0.71316E+04 205 montmorillonite-K -9.04 -12.33 -3.29 -0.202 0.83342E+04 206 montmorillonite-Mg -9.86 -12.76 -2.89 -0.179 0.73212E+04 207 montmorillonite-Na -8.89 -12.04 -3.15 -0.193 0.79771E+04 209 nontronite-Ca -2.37 -6.42 -4.05 -0.263 0.10255E+05 210 nontronite-H -2.63 -7.48 -4.85 -0.325 0.12281E+05 211 nontronite-K -1.67 -6.34 -4.67 -0.300 0.11813E+05 212 nontronite-Mg -2.61 -6.76 -4.15 -0.269 0.10499E+05 213 nontronite-Na -1.63 -6.05 -4.42 -0.284 0.11189E+05 215 topaz -25.54 -29.95 -4.41 -0.490 0.11167E+05 229 tobermorite 7.87 3.26 -4.61 -1.258 0.11670E+05 235 alabandite -3.70 -8.60 -4.91 -1.636 0.12424E+05 240 boehmite -1.57 -3.89 -2.32 -0.386 0.58596E+04 242 chalcopyrite -24.26 -24.44 -0.19 -0.035 0.47653E+03 245 copper,native -0.65 -3.99 -3.34 -1.163 0.84616E+04 246 dolomite,disordered -4.78 -7.03 -2.26 -0.376 0.57083E+04 247 ferrous-oxide 4.79 2.30 -2.49 -0.621 0.62913E+04 248 fluorite -12.19 -13.63 -1.44 -0.479 0.36384E+04 249 galena -10.07 -11.40 -1.32 -0.442 0.33527E+04 257 silica-amorphous -1.63 -2.10 -0.48 -0.159 0.12083E+04 260 sphalerite -10.34 -12.47 -2.13 -0.710 0.53914E+04 261 wurtzite -9.11 -12.47 -3.36 -1.120 0.85063E+04 263 an20ab80 -4.17 -5.80 -1.63 -0.125 0.41170E+04 264 an25ab75 -4.10 -5.78 -1.68 -0.129 0.42560E+04 265 an30ab70 -4.02 -5.76 -1.74 -0.134 0.44097E+04 271 FeS-amorphous -4.42 -7.53 -3.11 -1.038 0.78838E+04 Gases just saturated. Enthalpy constraint kicks in ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ Test file for CHIM-XPT. Boil Broadlands Water Water similar to Broadlands Well No. 2 CHIMRUN demo-2a ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ Number of loops used = 76 Loop limit = 200 Temperature = 280.00 C Pressure = 82.82 bar Mixer fraction = 0.0000000 Total current enthalpy = 296.5306 KCAL Water: Moles liquid = 0.5568E+02 kg liquid = 0.1003E+01 Moles total = 0.5551E+02 kg total = 0.1000E+01 Activity = 0.9967 Stoichiometric ionic strength = .1201909E+00 Osmotic coef. = 0.8808 True ionic strength = .3096725E-01 Chg. balance for total moles = 0.2402E-07 Max. difference allowed = 0.3072E-05 Log Log Log Species(n) Molality Molality Activity Activity Gamma Gamma 1 H+ 0.12270E-05 -5.9112 0.84765E-06 -6.0718 0.69082E+00 -0.1606 2 H2O 0.99666E+00 -0.0015 0.99666E+00 -0.0015 3 Cl- 0.28431E-01 -1.5462 0.19314E-01 -1.7141 0.67934E+00 -0.1679 4 SO4-- 0.39215E-09 -9.4065 0.93541E-10 -10.0290 0.23853E+00 -0.6225 5 HCO3- 0.20942E-02 -2.6790 0.14327E-02 -2.8438 0.68416E+00 -0.1648 6 HS- 0.25148E-03 -3.5995 0.17097E-03 -3.7671 0.67986E+00 -0.1676 7 H4SiO4 0.78219E-02 -2.1067 0.78219E-02 -2.1067 0.10000E+01 0.0000 8 Al+++ 0.20415E-20 -20.6900 0.79490E-22 -22.0997 0.38937E-01 -1.4096 9 Ca++ 0.86248E-05 -5.0642 0.20051E-05 -5.6979 0.23249E+00 -0.6336 10 Mg++ 0.71027E-07 -7.1486 0.16187E-07 -7.7908 0.22791E+00 -0.6422 11 Fe++ 0.63567E-09 -9.1968 0.14559E-09 -9.8369 0.22903E+00 -0.6401 12 K+ 0.36469E-02 -2.4381 0.25001E-02 -2.6020 0.68553E+00 -0.1640 13 Na+ 0.27266E-01 -1.5644 0.18533E-01 -1.7321 0.67970E+00 -0.1677 14 Mn++ 0.53771E-10 -10.2695 0.12360E-10 -10.9080 0.22987E+00 -0.6385 15 Zn++ 0.73988E-14 -14.1308 0.16946E-14 -14.7709 0.22903E+00 -0.6401 16 Cu+ 0.36736E-11 -11.4349 0.24963E-11 -11.6027 0.67953E+00 -0.1678 17 Pb++ 0.84018E-13 -13.0756 0.19771E-13 -13.7040 0.23531E+00 -0.6284 18 Hg++ 0.90347E-31 -31.0441 0.21139E-31 -31.6749 0.23397E+00 -0.6308 19 F- 0.16204E-03 -3.7904 0.10861E-03 -3.9641 0.67024E+00 -0.1738 21 HSiO3- 0.74773E-05 -5.1263 0.50796E-05 -5.2942 0.67934E+00 -0.1679 22 Ca(HSiO3)+ 0.27325E-07 -7.5634 0.18749E-07 -7.7270 0.68615E+00 -0.1636 23 Mg(HSiO3)+ 0.13773E-09 -9.8610 0.94503E-10 -10.0246 0.68615E+00 -0.1636 24 NaHSiO3,aq 0.18422E-05 -5.7347 0.18422E-05 -5.7347 0.10000E+01 0.0000 27 HAlO2,aq 0.39268E-08 -8.4060 0.39268E-08 -8.4060 0.10000E+01 0.0000 28 AlO2- 0.34342E-06 -6.4642 0.23067E-06 -6.6370 0.67169E+00 -0.1728 29 CH4,aq 0.41273E-02 -2.3843 0.40024E-02 -2.3977 0.96975E+00 -0.0133 30 C2H6,aq 0.13617E-07 -7.8659 0.13205E-07 -7.8792 0.96975E+00 -0.0133 34 CO,aq 0.27397E-05 -5.5623 0.27397E-05 -5.5623 0.10000E+01 0.0000 35 CO2,aq 0.17596E+00 -0.7546 0.17064E+00 -0.7679 0.96975E+00 -0.0133 36 CO3-2 0.45046E-07 -7.3463 0.10655E-07 -7.9724 0.23654E+00 -0.6261 37 CaCO3,aq 0.19196E-06 -6.7168 0.19196E-06 -6.7168 0.10000E+01 0.0000 38 Ca(HCO3)+ 0.12920E-04 -4.8887 0.88650E-05 -5.0523 0.68615E+00 -0.1636 39 CaCl+ 0.12059E-04 -4.9187 0.82745E-05 -5.0823 0.68615E+00 -0.1636 40 CaCl2,aq 0.25736E-06 -6.5895 0.25736E-06 -6.5895 0.10000E+01 0.0000 41 CaF+ 0.73896E-06 -6.1314 0.50704E-06 -6.2950 0.68615E+00 -0.1636 42 CaOH+ 0.68520E-06 -6.1642 0.47015E-06 -6.3278 0.68615E+00 -0.1636 44 HCl,aq 0.10756E-06 -6.9684 0.10756E-06 -6.9684 0.10000E+01 0.0000 53 CuCl,aq 0.70608E-09 -9.1511 0.70608E-09 -9.1511 0.10000E+01 0.0000 54 CuCl2- 0.47631E-09 -9.3221 0.32357E-09 -9.4900 0.67934E+00 -0.1679 61 HF,aq 0.63054E-04 -4.2003 0.63054E-04 -4.2003 0.10000E+01 0.0000 62 HF2- 0.28904E-08 -8.5390 0.19636E-08 -8.7069 0.67934E+00 -0.1679 64 FeCl+ 0.53155E-09 -9.2745 0.36472E-09 -9.4380 0.68615E+00 -0.1636 65 FeCl2,aq 0.11048E-09 -9.9567 0.11048E-09 -9.9567 0.10000E+01 0.0000 67 FeF+ 0.64543E-10 -10.1902 0.44286E-10 -10.3537 0.68615E+00 -0.1636 69 FeO,aq 0.12042E-08 -8.9193 0.12042E-08 -8.9193 0.10000E+01 0.0000 70 FeOH+ 0.22741E-08 -8.6432 0.15604E-08 -8.8068 0.68615E+00 -0.1636 71 HFeO2- 0.67492E-10 -10.1707 0.45850E-10 -10.3387 0.67934E+00 -0.1679 74 FeO2- 0.57479E-10 -10.2405 0.39048E-10 -10.4084 0.67934E+00 -0.1679 75 HFeO2,aq 0.64710E-10 -10.1890 0.64710E-10 -10.1890 0.10000E+01 0.0000 76 H2,aq 0.38036E-03 -3.4198 0.36885E-03 -3.4331 0.96975E+00 -0.0133 77 Hg,aq 0.37353E-08 -8.4277 0.36223E-08 -8.4410 0.96975E+00 -0.0133 90 KCl,aq 0.57268E-04 -4.2421 0.57268E-04 -4.2421 0.10000E+01 0.0000 92 KOH,aq 0.12307E-06 -6.9098 0.12307E-06 -6.9098 0.10000E+01 0.0000 93 KSO4- 0.21434E-09 -9.6689 0.14561E-09 -9.8368 0.67934E+00 -0.1679 94 MgCO3,aq 0.15261E-09 -9.8164 0.15261E-09 -9.8164 0.10000E+01 0.0000 95 Mg(HCO3)+ 0.90009E-07 -7.0457 0.61760E-07 -7.2093 0.68615E+00 -0.1636 96 MgCl+ 0.41617E-07 -7.3807 0.28556E-07 -7.5443 0.68615E+00 -0.1636 97 MgF+ 0.15349E-07 -7.8139 0.10532E-07 -7.9775 0.68615E+00 -0.1636 98 MgOH+ 0.16535E-07 -7.7816 0.11346E-07 -7.9452 0.68615E+00 -0.1636 102 MnOH+ 0.29814E-10 -10.5256 0.20457E-10 -10.6892 0.68615E+00 -0.1636 107 MnCl+ 0.11299E-08 -8.9470 0.77529E-09 -9.1105 0.68615E+00 -0.1636 109 NaCl,aq 0.21251E-02 -2.6726 0.21251E-02 -2.6726 0.10000E+01 0.0000 110 NaF,aq 0.10278E-04 -4.9881 0.10278E-04 -4.9881 0.10000E+01 0.0000 111 NaOH,aq 0.56645E-06 -6.2468 0.56645E-06 -6.2468 0.10000E+01 0.0000 113 OH- 0.10702E-04 -4.9705 0.71887E-05 -5.1433 0.67169E+00 -0.1728 124 Pb(HS)2,aq 0.10795E-07 -7.9668 0.10795E-07 -7.9668 0.10000E+01 0.0000 125 Pb(HS)3- 0.15725E-09 -9.8034 0.10683E-09 -9.9713 0.67934E+00 -0.1679 126 H2S,aq 0.54411E-02 -2.2643 0.52765E-02 -2.2777 0.96975E+00 -0.0133 127 S2-2 0.29101E-10 -10.5361 0.68834E-11 -11.1622 0.23654E+00 -0.6261 135 HSO4- 0.71443E-10 -10.1460 0.49179E-10 -10.3082 0.68836E+00 -0.1622 149 ZnCl+ 0.24662E-10 -10.6080 0.16922E-10 -10.7715 0.68615E+00 -0.1636 154 ZnOH+ 0.46359E-10 -10.3339 0.31809E-10 -10.4974 0.68615E+00 -0.1636 158 AlF2+ 0.36308E-08 -8.4400 0.24913E-08 -8.6036 0.68615E+00 -0.1636 159 AlF3,aq 0.58222E-06 -6.2349 0.58222E-06 -6.2349 0.10000E+01 0.0000 160 AlF4- 0.12944E-05 -5.8879 0.87932E-06 -6.0559 0.67934E+00 -0.1679 161 AlF5-- 0.19200E-07 -7.7167 0.45415E-08 -8.3428 0.23654E+00 -0.6261 164 Cu(HS)2- 0.45991E-07 -7.3373 0.31243E-07 -7.5052 0.67934E+00 -0.1679 165 CuH4S3-a 0.56055E-10 -10.2514 0.38080E-10 -10.4193 0.67934E+00 -0.1679 166 CuH4S3-b 0.40758E-10 -10.3898 0.27689E-10 -10.5577 0.67934E+00 -0.1679 177 HgH4S3,aq 0.23926E-09 -9.6211 0.23926E-09 -9.6211 0.10000E+01 0.0000 180 MnCl2,aq 0.13470E-08 -8.8706 0.13470E-08 -8.8706 0.10000E+01 0.0000 181 MnCl3- 0.16412E-09 -9.7848 0.11150E-09 -9.9527 0.67934E+00 -0.1679 183 NaCO3- 0.11424E-07 -7.9422 0.77607E-08 -8.1101 0.67934E+00 -0.1679 184 NaHCO3,aq 0.12317E-03 -3.9095 0.12317E-03 -3.9095 0.10000E+01 0.0000 185 NaHS,aq 0.14699E-04 -4.8327 0.14699E-04 -4.8327 0.10000E+01 0.0000 186 NaSO4- 0.27673E-09 -9.5579 0.18800E-09 -9.7259 0.67934E+00 -0.1679 187 PbCO3,aq 0.11781E-10 -10.9288 0.11781E-10 -10.9288 0.10000E+01 0.0000 188 PbOH+ 0.28545E-10 -10.5445 0.19586E-10 -10.7080 0.68615E+00 -0.1636 189 PbH4S3,aq 0.65496E-10 -10.1838 0.65496E-10 -10.1838 0.10000E+01 0.0000 193 Zn(HS)2,aq 0.15098E-07 -7.8211 0.15098E-07 -7.8211 0.10000E+01 0.0000 194 Zn(HS)3- 0.81612E-10 -10.0882 0.55442E-10 -10.2562 0.67934E+00 -0.1679 Charge balance for all species = 0.2395E-07 Component Molality Aq.molality ppm log[A(N)/A(H+)**Z] (total) 1 H+ 0.1227011E-05 0.1813511E+00 0.1808366E+03 0.0000 2 H2O 0.1000000E+01 0.5533680E+02 0.9862497E+06 0.0000 3 Cl- 0.2843078E-01 0.3062589E-01 0.1074170E+04 4.3577 4 SO4-- 0.3921546E-09 -.4223089E-02 -.4013390E+03 2.1146 5 HCO3- 0.2094166E-02 0.1823225E+00 0.1100586E+05 3.2280 6 HS- 0.2514845E-03 0.9930482E-02 0.3249093E+03 2.3047 7 H4SiO4 0.7821892E-02 0.7831239E-02 0.7446544E+03 -2.1067 8 Al+++ 0.2041522E-20 0.2246764E-05 0.5997287E-01 -3.8843 9 Ca++ 0.8624836E-05 0.3550470E-04 0.1407743E+01 6.4457 10 Mg++ 0.7102672E-07 0.2348274E-06 0.5648080E-02 4.3527 11 Fe++ 0.6356704E-09 0.5011119E-08 0.2768636E-03 2.3067 12 K+ 0.3646906E-02 0.3704297E-02 0.1432967E+03 3.4697 13 Na+ 0.2726638E-01 0.2954206E-01 0.6719041E+03 4.3397 14 Mn++ 0.5377091E-10 0.2732014E-08 0.1484865E-03 1.2356 15 Zn++ 0.7398793E-14 0.1525305E-07 0.9864303E-03 -2.6274 16 Cu+ 0.3673590E-11 0.4727444E-07 0.2971700E-02 -5.5309 17 Pb++ 0.8401816E-13 0.1106594E-07 0.2268236E-02 -1.5604 18 Hg++ 0.9034662E-31 0.3981177E-08 0.7900455E-03 -19.5314 19 F- 0.1620412E-03 0.2431612E-03 0.4570181E+01 2.1076 Component Tot moles Aq. moles Solid moles Gas moles 1 H+ 0.1822172E+00 0.1819094E+00 -.8598629E-08 0.3078242E-03 2 H2O 0.5550825E+02 0.5550714E+02 -.1495414E-08 0.1111818E-02 3 Cl- 0.3072017E-01 0.3072017E-01 0.0000000E+00 0.4663856E-11 4 SO4-- -.4257700E-02 -.4236089E-02 0.3738534E-09 -.2161136E-04 5 HCO3- 0.1832100E+00 0.1828837E+00 0.0000000E+00 0.3262901E-03 6 HS- 0.9985820E-02 0.9961052E-02 0.1158946E-07 0.2475649E-04 7 H4SiO4 0.7855346E-02 0.7855346E-02 0.0000000E+00 0.0000000E+00 8 Al+++ 0.2253680E-05 0.2253680E-05 0.0000000E+00 0.0000000E+00 9 Ca++ 0.3561400E-04 0.3561400E-04 0.0000000E+00 0.0000000E+00 10 Mg++ 0.2355503E-06 0.2355503E-06 0.0000000E+00 0.0000000E+00 11 Fe++ 0.8017372E-08 0.5026544E-08 0.2990827E-08 0.0000000E+00 12 K+ 0.3715700E-02 0.3715700E-02 0.0000000E+00 0.0000000E+00 13 Na+ 0.2963300E-01 0.2963300E-01 0.0000000E+00 0.0000000E+00 14 Mn++ 0.2740424E-08 0.2740424E-08 0.0000000E+00 0.0000000E+00 15 Zn++ 0.1530000E-07 0.1530000E-07 0.0000000E+00 0.0000000E+00 16 Cu+ 0.6237410E-07 0.4741996E-07 0.1495414E-07 0.0000000E+00 17 Pb++ 0.1110000E-07 0.1110000E-07 0.0000000E+00 0.0000000E+00 18 Hg++ 0.4000000E-08 0.3993432E-08 0.0000000E+00 0.6567510E-11 19 F- 0.2439100E-03 0.2439097E-03 0.0000000E+00 0.3090924E-09 Chg. balance for solid moles: 0.1922E-19 Mass of aqueous solution: 0.101392E+04 g Temperature = 280.00 C Pressure = 82.82 bar Mixer frac. = 0.0000000 Log Log Vol Gas or mineral Moles Moles Grams Grams Wt.% (cm3) bornite 0.2991E-08 -8.524 0.1501E-05 -5.824 100.0 0.2953E-06 H2O,gas 0.1394E-02 -2.856 0.2510E-01 -1.600 64.39 0.5252 CO2,gas 0.3052E-03 -3.515 0.1343E-01 -1.872 34.46 0.1853 CH4,gas 0.2104E-04 -4.677 0.3375E-03 -3.472 0.8657 0.1418E-01 H2,gas 0.2268E-05 -5.644 0.4582E-05 -5.339 0.1175E-01 0.1297E-02 H2S,gas 0.3145E-05 -5.502 0.1072E-03 -3.970 0.2749 0.1593E-02 CO,gas 0.1170E-07 -7.932 0.3277E-06 -6.485 0.8406E-03 0.6497E-05 SO2,gas 0.2380E-15 -15.623 0.1524E-13 -13.817 0.3910E-10 0.1322E-12 HF,gas 0.3091E-09 -9.510 0.6182E-08 -8.209 0.1586E-04 0.1716E-06 HCl,gas 0.4664E-11 -11.331 0.1700E-09 -9.769 0.4362E-06 0.2590E-08 Hg,gas 0.6568E-11 -11.183 0.1317E-08 -8.880 0.3379E-05 0.3647E-08 Partial press. Fugacity coef Log fugacity Gas or Mineral Mole fraction or activity Activity coef Log activity bornite 0.1000E+01 0.1000E+01 1.0000 0.000 H2O,gas 0.8078E+00 0.6690E+02 0.7645 1.709 CO2,gas 0.1769E+00 0.1465E+02 0.9629 1.149 CH4,gas 0.1219E-01 0.1010E+01 1.1912 0.080 H2,gas 0.1315E-02 0.1089E+00 1.0299 -0.950 H2S,gas 0.1823E-02 0.1510E+00 0.9102 -0.862 CO,gas 0.6780E-05 0.5615E-03 1.0000 -3.251 SO2,gas 0.1379E-12 0.1142E-10 1.0000 -10.942 HF,gas 0.1791E-06 0.1484E-04 1.0000 -4.829 HCl,gas 0.2703E-08 0.2239E-06 1.0000 -6.650 Hg,gas 0.3806E-08 0.3152E-06 1.0000 -6.501 Current weight percent of gas: 0.003845 % Solid products produced: Mass = 0.000002 g Volume = 0.000000 cm3 WARNING: mineral volume may be in error because some mineral densities were not supplied in SOLTHERM. See mineral list in file Skip_Species.txt. NON-Ideal mixing with H2O, CO2, CH4 Gases ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ The following gases and minerals are presently in matrix or were just added Gas or Mineral Log K Log Q Log(Q/K) Log(Q/K)/S Affinity Log Fugacity 1 H2O,gas 0.21 0.21 0.00 0.000 -0.27381E-08 2 CO2,gas -8.15 -8.15 -0.00 -0.000 0.13533E-08 3 CH4,gas 5.25 5.25 -0.00 -0.000 0.26280E-08 4 H2,gas 5.95 5.95 -0.00 -0.000 0.23605E-09 5 H2S,gas -7.06 -7.06 0.00 0.000 -0.71040E-09 6 CO,gas -0.66 -0.66 0.00 0.000 -0.16861E-11 7 SO2,gas -6.23 -6.23 0.00 0.000 0.00000E+00 8 HF,gas -3.29 -3.29 0.00 0.000 -0.22481E-11 9 HCl,gas 0.78 0.78 0.00 0.000 -0.56202E-12 10 Hg,gas -8.03 -8.03 0.00 0.000 0.00000E+00 198 bornite -66.24 -66.24 0.00 0.000 -0.35969E-10 The following gases and minerals are presently EXCLUDED from matrix (Gases and minerals with log(Q/K) less than -5 are not listed below) Gas or Mineral Log K Log Q Log(Q/K) Log(Q/K)/S Affinity Log Fugacity 11 acmite 4.48 0.89 -3.59 -0.373 0.90807E+04 15 albite-high -3.90 -5.86 -1.95 -0.150 0.49471E+04 16 albite -4.34 -5.86 -1.51 -0.117 0.38337E+04 20 analcite -1.52 -3.76 -2.24 -0.249 0.56656E+04 21 andalusite -6.44 -9.88 -3.43 -0.343 0.86867E+04 25 ankerite -7.00 -9.08 -2.08 -0.346 0.52523E+04 27 phlogopite 10.61 6.32 -4.28 -0.238 0.10839E+05 29 anorthite -2.39 -5.54 -3.15 -0.242 0.79718E+04 32 aragonite -1.66 -2.47 -0.81 -0.271 0.20609E+04 33 brucite 7.65 4.35 -3.31 -0.661 0.83656E+04 34 calcite -1.81 -2.47 -0.66 -0.221 0.16819E+04 35 carnegieite-low 2.20 -1.65 -3.85 -0.549 0.97359E+04 36 carnegieite-high 2.66 -1.65 -4.31 -0.615 0.10905E+05 37 carpholite-Mg -3.84 -7.63 -3.80 -0.253 0.96088E+04 38 carpholite-Fe -5.23 -9.68 -4.45 -0.297 0.11270E+05 39 celadonite -0.52 -4.48 -3.97 -0.233 0.10036E+05 40 celadonite-Fe -1.79 -6.53 -4.74 -0.279 0.12006E+05 41 chrysotile 13.05 8.84 -4.20 -0.350 0.10635E+05 43 clinochlore 12.06 7.67 -4.40 -0.137 0.11130E+05 47 chloritoid-Mg -1.47 -5.53 -4.06 -0.271 0.10277E+05 48 chloritoid-Fe -4.12 -7.57 -3.45 -0.230 0.87365E+04 51 coesite -1.63 -2.10 -0.47 -0.157 0.11926E+04 56 corundum -4.10 -7.77 -3.67 -0.334 0.92863E+04 58 cristobalite -1.88 -2.10 -0.22 -0.073 0.55529E+03 61 cymrite-K -2.32 -6.73 -4.41 -0.368 0.11166E+05 63 diaspore -2.34 -3.89 -1.55 -0.258 0.39239E+04 64 diamond -1.77 -2.75 -0.98 -0.280 0.24811E+04 65 diopside 8.67 6.59 -2.08 -0.208 0.52581E+04 66 hedenbergite 7.18 4.54 -2.64 -0.264 0.66747E+04 67 dolomite,ordered -5.05 -7.03 -1.98 -0.331 0.50233E+04 69 enstatite 8.37 4.50 -3.87 -0.387 0.98001E+04 70 clinoenstatite-HiP 9.12 4.50 -4.62 -0.462 0.11694E+05 71 clinoenstatite 8.31 4.50 -3.81 -0.381 0.96449E+04 72 protoenstatite 8.67 4.50 -4.17 -0.417 0.10563E+05 73 epidote 4.09 -0.43 -4.52 -0.219 0.11446E+05 74 clinozoisite -0.24 -5.08 -4.85 -0.220 0.12263E+05 76 fayalite 6.02 2.51 -3.51 -0.502 0.88897E+04 77 ferrosilite 4.06 0.40 -3.66 -0.366 0.92617E+04 78 forsterite 10.90 6.60 -4.31 -0.615 0.10899E+05 81 gibbsite -0.93 -3.89 -2.96 -0.422 0.74811E+04 84 goethite 2.92 0.76 -2.16 -0.467 0.54704E+04 85 graphite -2.14 -2.75 -0.61 -0.174 0.15427E+04 86 greenalite 7.46 2.71 -4.75 -0.396 0.12033E+05 88 halite 0.68 -3.45 -4.12 -2.061 0.10432E+05 89 hematite 4.86 1.53 -3.33 -0.404 0.84396E+04 90 heulandite -13.16 -16.06 -2.91 -0.132 0.73539E+04 94 jadeite -0.65 -3.76 -3.10 -0.310 0.78577E+04 96 kalsilite 1.42 -2.52 -3.94 -0.563 0.99781E+04 97 kaolinite -8.89 -11.98 -3.09 -0.281 0.78209E+04 98 kyanite -6.37 -9.88 -3.51 -0.351 0.88724E+04 100 laumontite -6.61 -9.75 -3.14 -0.209 0.79422E+04 101 lawsonite -2.04 -5.54 -3.50 -0.233 0.88607E+04 102 leucite -1.28 -4.63 -3.34 -0.334 0.84555E+04 104 lizardite 12.84 8.84 -4.00 -0.333 0.10114E+05 105 magnesite -2.63 -4.56 -1.93 -0.643 0.48812E+04 106 magnetite 8.16 3.83 -4.33 -0.354 0.10966E+05 107 minnesotaite 2.71 -1.50 -4.22 -0.248 0.10669E+05 115 microcline -5.39 -6.73 -1.34 -0.103 0.34013E+04 118 mullite-Si -5.07 -9.88 -4.81 -0.481 0.12172E+05 119 muscovite -10.77 -14.50 -3.73 -0.219 0.94418E+04 120 paragonite -9.88 -13.63 -3.75 -0.221 0.94963E+04 121 nepheline 1.70 -1.65 -3.35 -0.479 0.84915E+04 126 periclase 9.28 4.35 -4.93 -1.233 0.12481E+05 127 periclase-Fe 6.08 2.31 -3.77 -0.943 0.95469E+04 133 phlogopite-Na 11.99 7.19 -4.80 -0.266 0.12141E+05 135 prehnite 2.69 -1.20 -3.89 -0.229 0.98392E+04 136 prehnite-Fe 7.72 3.45 -4.27 -0.257 0.10799E+05 141 pyrite -19.85 -20.45 -0.60 -0.141 0.15162E+04 142 pyrrhotite -6.37 -7.53 -1.16 -0.386 0.29330E+04 143 pyrrhotiteFe0.875 -7.44 -8.20 -0.76 -0.280 0.19265E+04 144 pyroxmangite 3.93 -0.87 -4.80 -0.959 0.12140E+05 145 pyrophyllite -13.09 -16.19 -3.10 -0.194 0.78500E+04 146 quartz -2.07 -2.10 -0.03 -0.011 0.85410E+02 149 ringwoodite-Fe 7.19 2.51 -4.68 -0.669 0.11848E+05 151 rhodochrosite -3.16 -7.68 -4.52 -1.507 0.11446E+05 152 rhodonite 3.94 -0.87 -4.81 -0.962 0.12169E+05 153 sanidine -4.57 -6.73 -2.16 -0.166 0.54685E+04 155 siderite -4.93 -6.61 -1.68 -0.560 0.42528E+04 156 sillimanite -6.31 -9.88 -3.56 -0.356 0.90171E+04 163 stilbite -11.67 -16.07 -4.40 -0.209 0.11135E+05 166 stishovite 2.07 -2.10 -4.17 -1.390 0.10558E+05 169 sulfur -8.98 -12.92 -3.94 -1.211 0.99649E+04 171 talc 7.27 4.64 -2.63 -0.155 0.66539E+04 178 topaz-H -5.39 -9.88 -4.49 -0.408 0.11356E+05 179 tridymite -1.91 -2.10 -0.20 -0.066 0.50062E+03 182 troilite-low -6.38 -7.53 -1.15 -0.383 0.29119E+04 186 wadsleyite-Fe 7.21 2.51 -4.70 -0.671 0.11893E+05 188 wairakite -7.24 -9.75 -2.51 -0.148 0.63560E+04 189 walstromite 7.04 4.34 -2.70 -0.540 0.68327E+04 190 wollastonite 6.35 4.34 -2.01 -0.402 0.50861E+04 191 pseudo-wollastonite 6.63 4.34 -2.29 -0.459 0.58058E+04 192 zoisite -0.21 -5.08 -4.87 -0.221 0.12331E+05 193 beidellite-Ca -11.81 -15.71 -3.90 -0.241 0.98757E+04 194 beidellite-H -12.07 -16.78 -4.71 -0.300 0.11915E+05 195 beidellite-K -11.11 -15.63 -4.52 -0.277 0.11437E+05 196 beidellite-Mg -12.06 -16.06 -4.00 -0.247 0.10112E+05 197 beidellite-Na -11.08 -15.35 -4.27 -0.262 0.10809E+05 200 chalcedony -1.94 -2.10 -0.16 -0.053 0.40362E+03 201 chalcocite -19.41 -20.90 -1.49 -0.372 0.37710E+04 202 covellite -14.89 -16.91 -2.02 -0.771 0.51243E+04 204 montmorillonite-Ca -9.59 -12.41 -2.82 -0.174 0.71257E+04 205 montmorillonite-K -9.04 -12.33 -3.29 -0.201 0.83283E+04 206 montmorillonite-Mg -9.86 -12.75 -2.89 -0.179 0.73154E+04 207 montmorillonite-Na -8.89 -12.04 -3.15 -0.193 0.79713E+04 209 nontronite-Ca -2.37 -6.41 -4.05 -0.263 0.10248E+05 210 nontronite-H -2.63 -7.48 -4.85 -0.325 0.12275E+05 211 nontronite-K -1.67 -6.33 -4.66 -0.299 0.11807E+05 212 nontronite-Mg -2.61 -6.76 -4.15 -0.269 0.10493E+05 213 nontronite-Na -1.63 -6.05 -4.42 -0.284 0.11182E+05 215 topaz -25.54 -29.95 -4.41 -0.490 0.11165E+05 229 tobermorite 7.87 3.26 -4.61 -1.258 0.11667E+05 235 alabandite -3.70 -8.60 -4.91 -1.636 0.12421E+05 240 boehmite -1.57 -3.89 -2.31 -0.386 0.58571E+04 242 chalcopyrite -24.26 -24.44 -0.19 -0.035 0.47513E+03 245 copper,native -0.65 -3.99 -3.34 -1.163 0.84621E+04 246 dolomite,disordered -4.78 -7.03 -2.25 -0.376 0.57053E+04 247 ferrous-oxide 4.79 2.31 -2.48 -0.621 0.62891E+04 248 fluorite -12.19 -13.63 -1.44 -0.479 0.36374E+04 249 galena -10.07 -11.40 -1.32 -0.441 0.33521E+04 257 silica-amorphous -1.63 -2.10 -0.48 -0.159 0.12083E+04 260 sphalerite -10.34 -12.47 -2.13 -0.710 0.53908E+04 261 wurtzite -9.11 -12.47 -3.36 -1.120 0.85057E+04 263 an20ab80 -4.17 -5.79 -1.62 -0.125 0.41119E+04 264 an25ab75 -4.10 -5.78 -1.68 -0.129 0.42507E+04 265 an30ab70 -4.02 -5.76 -1.74 -0.134 0.44042E+04 271 FeS-amorphous -4.42 -7.53 -3.11 -1.038 0.78822E+04 Calculations done for 280.0000 Deg. C; 82.8189 bar Enthalpies: Pure water 5.3254 kcal/mole H2O,gas 11.5741 kcal/mole CO2,gas 3.9531 kcal/mole CH4,gas 4.1540 kcal/mole Current solution 296.5132 Gas 0.0174 kcal Total current enthalpy 296.5306 kcal Starting enthalpy 296.5306 kcal Temperature changed by -2.000 degrees to 278.000 degrees C. Solids and gases carried ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ Test file for CHIM-XPT. Boil Broadlands Water Water similar to Broadlands Well No. 2 CHIMRUN demo-2a ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ Number of loops used = 19 Loop limit = 200 Temperature = 278.00 C Pressure = 74.31 bar Mixer fraction = 0.0000000 Total current enthalpy = 296.5306 KCAL Water: Moles liquid = 0.5532E+02 kg liquid = 0.9966E+00 Moles total = 0.5551E+02 kg total = 0.1000E+01 Activity = 0.9977 Stoichiometric ionic strength = .9423783E-01 Osmotic coef. = 0.8644 True ionic strength = .3124450E-01 Chg. balance for total moles = 0.2402E-07 Max. difference allowed = 0.3072E-05 Log Log Log Species(n) Molality Molality Activity Activity Gamma Gamma 1 H+ 0.92303E-06 -6.0348 0.63980E-06 -6.1940 0.69316E+00 -0.1592 2 H2O 0.99773E+00 -0.0010 0.99773E+00 -0.0010 3 Cl- 0.28686E-01 -1.5423 0.19557E-01 -1.7087 0.68175E+00 -0.1664 4 SO4-- 0.11280E-08 -8.9477 0.27185E-09 -9.5657 0.24101E+00 -0.6180 5 HCO3- 0.20393E-02 -2.6905 0.14001E-02 -2.8538 0.68656E+00 -0.1633 6 HS- 0.30485E-03 -3.5159 0.20798E-03 -3.6820 0.68226E+00 -0.1660 7 H4SiO4 0.78693E-02 -2.1041 0.78693E-02 -2.1041 0.10000E+01 0.0000 8 Al+++ 0.18181E-20 -20.7404 0.72373E-22 -22.1404 0.39808E-01 -1.4000 9 Ca++ 0.90841E-05 -5.0417 0.21341E-05 -5.6708 0.23493E+00 -0.6291 10 Mg++ 0.72979E-07 -7.1368 0.16809E-07 -7.7744 0.23033E+00 -0.6376 11 Fe++ 0.57459E-09 -9.2406 0.13300E-09 -9.8762 0.23147E+00 -0.6355 12 K+ 0.36730E-02 -2.4350 0.25267E-02 -2.5974 0.68792E+00 -0.1625 13 Na+ 0.27517E-01 -1.5604 0.18769E-01 -1.7265 0.68211E+00 -0.1661 14 Mn++ 0.58669E-10 -10.2316 0.13629E-10 -10.8655 0.23231E+00 -0.6339 15 Zn++ 0.55703E-14 -14.2541 0.12893E-14 -14.8896 0.23147E+00 -0.6355 16 Cu+ 0.25291E-11 -11.5970 0.17247E-11 -11.7633 0.68194E+00 -0.1663 17 Pb++ 0.61301E-13 -13.2125 0.14576E-13 -13.8364 0.23777E+00 -0.6238 18 Hg++ 0.39974E-31 -31.3982 0.94509E-32 -32.0245 0.23643E+00 -0.6263 19 F- 0.17848E-03 -3.7484 0.12006E-03 -3.9206 0.67269E+00 -0.1722 21 HSiO3- 0.10287E-04 -4.9877 0.70132E-05 -5.1541 0.68175E+00 -0.1664 22 Ca(HSiO3)+ 0.37252E-07 -7.4289 0.25649E-07 -7.5909 0.68854E+00 -0.1621 23 Mg(HSiO3)+ 0.18447E-09 -9.7341 0.12702E-09 -9.8961 0.68854E+00 -0.1621 24 NaHSiO3,aq 0.24980E-05 -5.6024 0.24980E-05 -5.6024 0.10000E+01 0.0000 27 HAlO2,aq 0.74684E-08 -8.1268 0.74684E-08 -8.1268 0.10000E+01 0.0000 28 AlO2- 0.85469E-06 -6.0682 0.57617E-06 -6.2395 0.67413E+00 -0.1713 29 CH4,aq 0.16591E-02 -2.7801 0.16181E-02 -2.7910 0.97526E+00 -0.0109 30 C2H6,aq 0.25598E-08 -8.5918 0.24965E-08 -8.6027 0.97526E+00 -0.0109 34 CO,aq 0.15372E-05 -5.8133 0.15372E-05 -5.8133 0.10000E+01 0.0000 35 CO2,aq 0.11976E+00 -0.9217 0.11680E+00 -0.9326 0.97526E+00 -0.0109 36 CO3-2 0.61056E-07 -7.2143 0.14593E-07 -7.8359 0.23900E+00 -0.6216 37 CaCO3,aq 0.24967E-06 -6.6026 0.24967E-06 -6.6026 0.10000E+01 0.0000 38 Ca(HCO3)+ 0.12406E-04 -4.9064 0.85417E-05 -5.0685 0.68854E+00 -0.1621 39 CaCl+ 0.12005E-04 -4.9206 0.82662E-05 -5.0827 0.68854E+00 -0.1621 40 CaCl2,aq 0.24800E-06 -6.6055 0.24800E-06 -6.6055 0.10000E+01 0.0000 41 CaF+ 0.80073E-06 -6.0965 0.55133E-06 -6.2586 0.68854E+00 -0.1621 42 CaOH+ 0.90495E-06 -6.0434 0.62309E-06 -6.2054 0.68854E+00 -0.1621 43 CaSO4,aq 0.27477E-10 -10.5610 0.27477E-10 -10.5610 0.10000E+01 0.0000 44 HCl,aq 0.76326E-07 -7.1173 0.76326E-07 -7.1173 0.10000E+01 0.0000 53 CuCl,aq 0.47723E-09 -9.3213 0.47723E-09 -9.3213 0.10000E+01 0.0000 54 CuCl2- 0.32232E-09 -9.4917 0.21974E-09 -9.6581 0.68175E+00 -0.1664 61 HF,aq 0.49277E-04 -4.3074 0.49277E-04 -4.3074 0.10000E+01 0.0000 62 HF2- 0.24965E-08 -8.6027 0.17020E-08 -8.7691 0.68175E+00 -0.1664 64 FeCl+ 0.45617E-09 -9.3409 0.31409E-09 -9.5029 0.68854E+00 -0.1621 65 FeCl2,aq 0.84320E-10 -10.0741 0.84320E-10 -10.0741 0.10000E+01 0.0000 67 FeF+ 0.60679E-10 -10.2170 0.41780E-10 -10.3790 0.68854E+00 -0.1621 69 FeO,aq 0.17513E-08 -8.7566 0.17513E-08 -8.7566 0.10000E+01 0.0000 70 FeOH+ 0.26182E-08 -8.5820 0.18027E-08 -8.7441 0.68854E+00 -0.1621 71 HFeO2- 0.13182E-09 -9.8800 0.89868E-10 -10.0464 0.68175E+00 -0.1664 74 FeO2- 0.11934E-09 -9.9232 0.81357E-10 -10.0896 0.68175E+00 -0.1664 75 HFeO2,aq 0.10328E-09 -9.9860 0.10328E-09 -9.9860 0.10000E+01 0.0000 76 H2,aq 0.31043E-03 -3.5080 0.30275E-03 -3.5189 0.97526E+00 -0.0109 77 Hg,aq 0.25984E-08 -8.5853 0.25341E-08 -8.5962 0.97526E+00 -0.0109 90 KCl,aq 0.55269E-04 -4.2575 0.55269E-04 -4.2575 0.10000E+01 0.0000 92 KOH,aq 0.16053E-06 -6.7945 0.16053E-06 -6.7945 0.10000E+01 0.0000 93 KSO4- 0.58874E-09 -9.2301 0.40137E-09 -9.3965 0.68175E+00 -0.1664 94 MgCO3,aq 0.19520E-09 -9.7095 0.19520E-09 -9.7095 0.10000E+01 0.0000 95 Mg(HCO3)+ 0.84638E-07 -7.0724 0.58276E-07 -7.2345 0.68854E+00 -0.1621 96 MgCl+ 0.40724E-07 -7.3902 0.28040E-07 -7.5522 0.68854E+00 -0.1621 97 MgF+ 0.16280E-07 -7.7883 0.11210E-07 -7.9504 0.68854E+00 -0.1621 98 MgOH+ 0.21354E-07 -7.6705 0.14703E-07 -7.8326 0.68854E+00 -0.1621 102 MnOH+ 0.41331E-10 -10.3837 0.28458E-10 -10.5458 0.68854E+00 -0.1621 107 MnCl+ 0.11517E-08 -8.9387 0.79300E-09 -9.1007 0.68854E+00 -0.1621 109 NaCl,aq 0.20712E-02 -2.6838 0.20712E-02 -2.6838 0.10000E+01 0.0000 110 NaF,aq 0.10912E-04 -4.9621 0.10912E-04 -4.9621 0.10000E+01 0.0000 111 NaOH,aq 0.74169E-06 -6.1298 0.74169E-06 -6.1298 0.10000E+01 0.0000 113 OH- 0.14347E-04 -4.8433 0.96714E-05 -5.0145 0.67413E+00 -0.1713 124 Pb(HS)2,aq 0.10850E-07 -7.9646 0.10850E-07 -7.9646 0.10000E+01 0.0000 125 Pb(HS)3- 0.18605E-09 -9.7304 0.12684E-09 -9.8967 0.68175E+00 -0.1664 126 H2S,aq 0.46791E-02 -2.3298 0.45634E-02 -2.3407 0.97526E+00 -0.0109 127 S2-2 0.48073E-10 -10.3181 0.11490E-10 -10.9397 0.23900E+00 -0.6216 134 HSO3- 0.12865E-10 -10.8906 0.87710E-11 -11.0570 0.68175E+00 -0.1664 135 HSO4- 0.14334E-09 -9.8436 0.99014E-10 -10.0043 0.69074E+00 -0.1607 149 ZnCl+ 0.17031E-10 -10.7688 0.11727E-10 -10.9308 0.68854E+00 -0.1621 154 ZnOH+ 0.43712E-10 -10.3594 0.30098E-10 -10.5215 0.68854E+00 -0.1621 158 AlF2+ 0.26667E-08 -8.5740 0.18361E-08 -8.7361 0.68854E+00 -0.1621 159 AlF3,aq 0.42353E-06 -6.3731 0.42353E-06 -6.3731 0.10000E+01 0.0000 160 AlF4- 0.95762E-06 -6.0188 0.65285E-06 -6.1852 0.68175E+00 -0.1664 161 AlF5-- 0.15400E-07 -7.8125 0.36808E-08 -8.4341 0.23900E+00 -0.6216 164 Cu(HS)2- 0.50972E-07 -7.2927 0.34750E-07 -7.4590 0.68175E+00 -0.1664 165 CuH4S3-a 0.48979E-10 -10.3100 0.33391E-10 -10.4764 0.68175E+00 -0.1664 166 CuH4S3-b 0.42755E-10 -10.3690 0.29148E-10 -10.5354 0.68175E+00 -0.1664 177 HgH4S3,aq 0.11824E-09 -9.9272 0.11824E-09 -9.9272 0.10000E+01 0.0000 180 MnCl2,aq 0.13218E-08 -8.8788 0.13218E-08 -8.8788 0.10000E+01 0.0000 181 MnCl3- 0.16551E-09 -9.7812 0.11284E-09 -9.9476 0.68175E+00 -0.1664 183 NaCO3- 0.16590E-07 -7.7801 0.11310E-07 -7.9465 0.68175E+00 -0.1664 184 NaHCO3,aq 0.11496E-03 -3.9394 0.11496E-03 -3.9394 0.10000E+01 0.0000 185 NaHS,aq 0.17078E-04 -4.7676 0.17078E-04 -4.7676 0.10000E+01 0.0000 186 NaSO4- 0.76733E-09 -9.1150 0.52312E-09 -9.2814 0.68175E+00 -0.1664 187 PbCO3,aq 0.12673E-10 -10.8971 0.12673E-10 -10.8971 0.10000E+01 0.0000 188 PbOH+ 0.26958E-10 -10.5693 0.18561E-10 -10.7314 0.68854E+00 -0.1621 189 PbH4S3,aq 0.55559E-10 -10.2552 0.55559E-10 -10.2552 0.10000E+01 0.0000 193 Zn(HS)2,aq 0.15187E-07 -7.8185 0.15187E-07 -7.8185 0.10000E+01 0.0000 194 Zn(HS)3- 0.10238E-09 -9.9898 0.69794E-10 -10.1562 0.68175E+00 -0.1664 Charge balance for all species = 0.2410E-07 Component Molality Aq.molality ppm log[A(N)/A(H+)**Z] (total) 1 H+ 0.9230268E-06 0.1243815E+00 0.1243391E+03 0.0000 2 H2O 0.1000000E+01 0.5539046E+02 0.9896771E+06 0.0000 3 Cl- 0.2868595E-01 0.3082505E-01 0.1083862E+04 4.4852 4 SO4-- 0.1127957E-08 -.1737096E-02 -.1654973E+03 2.8222 5 HCO3- 0.2039298E-02 0.1235891E+00 0.7479100E+04 3.3401 6 HS- 0.3048458E-03 0.6738310E-02 0.2210184E+03 2.5120 7 H4SiO4 0.7869343E-02 0.7882165E-02 0.7513730E+03 -2.1041 8 Al+++ 0.1818060E-20 0.2261375E-05 0.6051397E-01 -3.5586 9 Ca++ 0.9084095E-05 0.3573559E-04 0.1420444E+01 6.7171 10 Mg++ 0.7297857E-07 0.2363545E-06 0.5699039E-02 4.6135 11 Fe++ 0.5745892E-09 0.5900508E-08 0.3268182E-03 2.5118 12 K+ 0.3672956E-02 0.3728386E-02 0.1445895E+03 3.5965 13 Na+ 0.2751676E-01 0.2973417E-01 0.6779663E+03 4.4674 14 Mn++ 0.5866937E-10 0.2749780E-08 0.1498262E-03 1.5224 15 Zn++ 0.5570290E-14 0.1535224E-07 0.9953302E-03 -2.5017 16 Cu+ 0.2529109E-11 0.5186587E-07 0.3268481E-02 -5.5693 17 Pb++ 0.6130080E-13 0.1113790E-07 0.2288701E-02 -1.4485 18 Hg++ 0.3997376E-31 0.2722416E-08 0.5416028E-03 -19.6366 19 F- 0.1784849E-03 0.2446788E-03 0.4610215E+01 2.2734 Component Tot moles Aq. moles Solid moles Gas moles 1 H+ 0.1822172E+00 0.1239583E+00 -.6143706E-08 0.5825892E-01 2 H2O 0.5550825E+02 0.5520199E+02 -.1068471E-08 0.3062608E+00 3 Cl- 0.3072017E-01 0.3072017E-01 0.0000000E+00 0.8713108E-09 4 SO4-- -.4257700E-02 -.1731186E-02 0.2671177E-09 -.2526514E-02 5 HCO3- 0.1832100E+00 0.1231685E+00 0.0000000E+00 0.6004146E-01 6 HS- 0.9985820E-02 0.6715382E-02 0.8280647E-08 0.3270429E-02 7 H4SiO4 0.7855346E-02 0.7855346E-02 0.0000000E+00 0.0000000E+00 8 Al+++ 0.2253680E-05 0.2253680E-05 0.0000000E+00 0.0000000E+00 9 Ca++ 0.3561400E-04 0.3561400E-04 0.0000000E+00 0.0000000E+00 10 Mg++ 0.2355503E-06 0.2355503E-06 0.0000000E+00 0.0000000E+00 11 Fe++ 0.8017372E-08 0.5880431E-08 0.2136941E-08 0.0000000E+00 12 K+ 0.3715700E-02 0.3715700E-02 0.0000000E+00 0.0000000E+00 13 Na+ 0.2963300E-01 0.2963300E-01 0.0000000E+00 0.0000000E+00 14 Mn++ 0.2740424E-08 0.2740424E-08 0.0000000E+00 0.0000000E+00 15 Zn++ 0.1530000E-07 0.1530000E-07 0.0000000E+00 0.0000000E+00 16 Cu+ 0.6237410E-07 0.5168939E-07 0.1068471E-07 0.0000000E+00 17 Pb++ 0.1110000E-07 0.1110000E-07 0.0000000E+00 0.0000000E+00 18 Hg++ 0.4000000E-08 0.2713153E-08 0.0000000E+00 0.1286847E-08 19 F- 0.2439100E-03 0.2438462E-03 0.0000000E+00 0.6378178E-07 Chg. balance for solid moles: 0.1084E-16 Mass of aqueous solution: 0.100485E+04 g Temperature = 278.00 C Pressure = 74.31 bar Mixer frac. = 0.0000000 Log Log Vol Gas or mineral Moles Moles Grams Grams Wt.% (cm3) H2O,gas 0.3610 -0.443 6.501 0.813 71.42 158.1 CO2,gas 0.5764E-01 -1.239 2.537 0.404 27.87 38.88 CH4,gas 0.2396E-02 -2.621 0.3843E-01 -1.415 0.4222 1.800 H2,gas 0.5204E-03 -3.284 0.1051E-02 -2.978 0.1155E-01 0.3294 H2S,gas 0.7439E-03 -3.128 0.2535E-01 -1.596 0.2785 0.4216 CO,gas 0.1850E-05 -5.733 0.5183E-04 -4.285 0.5693E-03 0.1141E-02 SO2,gas 0.7721E-13 -13.112 0.4946E-11 -11.306 0.5433E-10 0.4762E-10 HF,gas 0.6378E-07 -7.195 0.1276E-05 -5.894 0.1401E-04 0.3933E-04 HCl,gas 0.8713E-09 -9.060 0.3177E-07 -7.498 0.3490E-06 0.5373E-06 Hg,gas 0.1287E-08 -8.890 0.2581E-06 -6.588 0.2836E-05 0.7936E-06 bornite 0.2137E-08 -8.670 0.1072E-05 -5.970 100.0 0.2110E-06 Partial press. Fugacity coef Log fugacity Gas or Mineral Mole fraction or activity Activity coef Log activity H2O,gas 0.8548E+00 0.6352E+02 0.7848 1.698 CO2,gas 0.1365E+00 0.1014E+02 0.9670 0.992 CH4,gas 0.5674E-02 0.4216E+00 1.1874 -0.301 H2,gas 0.1232E-02 0.9157E-01 1.0269 -1.027 H2S,gas 0.1762E-02 0.1309E+00 0.9175 -0.920 CO,gas 0.4382E-05 0.3256E-03 1.0000 -3.487 SO2,gas 0.1828E-12 0.1359E-10 1.0000 -10.867 HF,gas 0.1510E-06 0.1122E-04 1.0000 -4.950 HCl,gas 0.2063E-08 0.1533E-06 1.0000 -6.814 Hg,gas 0.3047E-08 0.2264E-06 1.0000 -6.645 bornite 0.1000E+01 0.1000E+01 1.0000 0.000 Current weight percent of gas: 0.897791 % Solid products produced: Mass = 0.000001 g Volume = 0.000000 cm3 WARNING: mineral volume may be in error because some mineral densities were not supplied in SOLTHERM. See mineral list in file Skip_Species.txt. NON-Ideal mixing with H2O, CO2, CH4 Gases ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ The following gases and minerals are presently in matrix or were just added Gas or Mineral Log K Log Q Log(Q/K) Log(Q/K)/S Affinity Log Fugacity 1 H2O,gas 0.17 0.17 0.00 0.000 -0.88359E-09 2 CO2,gas -8.17 -8.17 -0.00 -0.000 0.41663E-09 3 CH4,gas 5.20 5.20 -0.00 -0.000 0.86462E-09 4 H2,gas 5.92 5.92 -0.00 -0.000 0.76159E-10 5 H2S,gas -7.08 -7.08 0.00 0.000 -0.23744E-09 6 CO,gas -0.67 -0.67 0.00 0.000 0.00000E+00 7 SO2,gas -6.20 -6.20 0.00 0.000 -0.44799E-11 8 HF,gas -3.29 -3.29 0.00 0.000 -0.33599E-11 9 HCl,gas 0.78 0.78 -0.00 -0.000 0.55999E-12 10 Hg,gas -8.10 -8.10 0.00 0.000 0.00000E+00 198 bornite -66.35 -66.35 -0.00 -0.000 0.35839E-10 The following gases and minerals are presently EXCLUDED from matrix (Gases and minerals with log(Q/K) less than -5 are not listed below) Gas or Mineral Log K Log Q Log(Q/K) Log(Q/K)/S Affinity Log Fugacity 11 acmite 4.51 1.26 -3.25 -0.338 0.81928E+04 15 albite-high -3.86 -5.40 -1.54 -0.118 0.38787E+04 16 albite -4.31 -5.40 -1.09 -0.084 0.27572E+04 20 analcite -1.47 -3.30 -1.82 -0.203 0.45994E+04 21 andalusite -6.34 -9.22 -2.88 -0.288 0.72649E+04 23 grossular 11.17 6.72 -4.45 -0.223 0.11230E+05 25 ankerite -6.93 -8.87 -1.93 -0.322 0.48729E+04 26 annite 5.65 1.26 -4.39 -0.244 0.11065E+05 27 phlogopite 10.75 7.57 -3.18 -0.177 0.80248E+04 29 anorthite -2.25 -4.61 -2.36 -0.181 0.59421E+04 32 aragonite -1.62 -2.33 -0.71 -0.237 0.17934E+04 33 brucite 7.69 4.61 -3.08 -0.617 0.77750E+04 34 calcite -1.77 -2.33 -0.56 -0.187 0.14155E+04 35 carnegieite-low 2.25 -1.20 -3.45 -0.493 0.87003E+04 36 carnegieite-high 2.72 -1.20 -3.92 -0.559 0.98763E+04 37 carpholite-Mg -3.72 -6.71 -2.99 -0.199 0.75407E+04 38 carpholite-Fe -5.12 -8.82 -3.70 -0.247 0.93289E+04 39 celadonite -0.46 -3.76 -3.30 -0.194 0.83211E+04 40 celadonite-Fe -1.73 -5.86 -4.13 -0.243 0.10422E+05 41 chrysotile 13.14 9.63 -3.50 -0.292 0.88367E+04 43 clinochlore 12.30 9.63 -2.66 -0.083 0.67190E+04 47 chloritoid-Mg -1.34 -4.61 -3.27 -0.218 0.82555E+04 48 chloritoid-Fe -4.00 -6.71 -2.71 -0.181 0.68369E+04 51 coesite -1.64 -2.10 -0.46 -0.155 0.11706E+04 56 corundum -3.99 -7.12 -3.13 -0.284 0.78859E+04 58 cristobalite -1.89 -2.10 -0.21 -0.071 0.53641E+03 61 cymrite-K -2.28 -6.27 -3.99 -0.333 0.10064E+05 63 diaspore -2.29 -3.56 -1.27 -0.212 0.32046E+04 64 diamond -1.77 -3.01 -1.24 -0.353 0.31190E+04 65 diopside 8.73 7.12 -1.61 -0.161 0.40489E+04 66 hedenbergite 7.24 5.02 -2.22 -0.222 0.55931E+04 67 dolomite,ordered -4.97 -6.77 -1.79 -0.298 0.45167E+04 69 enstatite 8.44 5.02 -3.42 -0.342 0.86260E+04 70 clinoenstatite-HiP 9.19 5.02 -4.17 -0.417 0.10520E+05 71 clinoenstatite 8.38 5.02 -3.36 -0.336 0.84707E+04 72 protoenstatite 8.74 5.02 -3.72 -0.372 0.93905E+04 73 epidote 4.27 1.01 -3.27 -0.158 0.82421E+04 74 clinozoisite -0.03 -3.55 -3.52 -0.160 0.88858E+04 76 fayalite 6.09 2.92 -3.17 -0.453 0.79899E+04 77 ferrosilite 4.12 0.82 -3.31 -0.331 0.83391E+04 78 forsterite 10.99 7.12 -3.86 -0.552 0.97474E+04 81 gibbsite -0.89 -3.56 -2.67 -0.382 0.67407E+04 84 goethite 2.96 1.00 -1.96 -0.423 0.49306E+04 85 graphite -2.14 -3.01 -0.87 -0.247 0.21827E+04 86 greenalite 7.54 3.33 -4.21 -0.351 0.10615E+05 88 halite 0.69 -3.44 -4.13 -2.065 0.10415E+05 89 hematite 4.93 2.00 -2.93 -0.355 0.73859E+04 90 heulandite -13.09 -15.12 -2.04 -0.093 0.51393E+04 91 hercynite 0.22 -4.61 -4.82 -0.322 0.12167E+05 94 jadeite -0.61 -3.30 -2.69 -0.269 0.67883E+04 96 kalsilite 1.48 -2.07 -3.54 -0.506 0.89331E+04 97 kaolinite -8.82 -11.33 -2.50 -0.228 0.63140E+04 98 kyanite -6.27 -9.22 -2.95 -0.295 0.74465E+04 100 laumontite -6.52 -8.82 -2.29 -0.153 0.57850E+04 101 lawsonite -1.93 -4.61 -2.68 -0.179 0.67559E+04 102 leucite -1.24 -4.17 -2.93 -0.293 0.73971E+04 104 lizardite 12.93 9.63 -3.29 -0.275 0.83085E+04 105 magnesite -2.59 -4.43 -1.84 -0.614 0.46422E+04 106 magnetite 8.27 4.51 -3.76 -0.307 0.94752E+04 107 minnesotaite 2.78 -0.88 -3.66 -0.215 0.92323E+04 108 minnesotaite-Mg 10.05 5.43 -4.62 -0.272 0.11650E+05 112 margarite -7.57 -11.73 -4.16 -0.167 0.10498E+05 115 microcline -5.35 -6.27 -0.92 -0.070 0.23104E+04 116 monticellite 14.19 9.23 -4.96 -0.708 0.12506E+05 118 mullite-Si -4.96 -9.22 -4.26 -0.426 0.10755E+05 119 muscovite -10.65 -13.39 -2.74 -0.161 0.69208E+04 120 paragonite -9.75 -12.52 -2.77 -0.163 0.69853E+04 121 nepheline 1.76 -1.20 -2.96 -0.422 0.74560E+04 126 periclase 9.34 4.61 -4.72 -1.181 0.11915E+05 127 periclase-Fe 6.12 2.51 -3.61 -0.903 0.91096E+04 133 phlogopite-Na 12.14 8.44 -3.70 -0.206 0.93404E+04 135 prehnite 2.84 0.00 -2.84 -0.167 0.71502E+04 136 prehnite-Fe 7.85 4.57 -3.29 -0.198 0.82875E+04 140 px-Ca-tschermaks 2.21 -2.51 -4.72 -0.337 0.11892E+05 141 pyrite -19.83 -20.26 -0.43 -0.101 0.10858E+04 142 pyrrhotite -6.34 -7.36 -1.03 -0.342 0.25856E+04 143 pyrrhotiteFe0.875 -7.41 -8.05 -0.64 -0.235 0.16146E+04 144 pyroxmangite 3.96 -0.58 -4.54 -0.908 0.11444E+05 145 pyrophyllite -13.02 -15.53 -2.51 -0.157 0.63304E+04 146 quartz -2.08 -2.10 -0.03 -0.008 0.63855E+02 149 ringwoodite-Fe 7.26 2.92 -4.34 -0.620 0.10942E+05 151 rhodochrosite -3.13 -7.53 -4.40 -1.467 0.11096E+05 152 rhodonite 3.97 -0.58 -4.55 -0.910 0.11473E+05 153 sanidine -4.53 -6.27 -1.74 -0.134 0.43774E+04 155 siderite -4.89 -6.54 -1.64 -0.547 0.41387E+04 156 sillimanite -6.21 -9.22 -3.01 -0.301 0.75966E+04 163 stilbite -11.62 -15.13 -3.51 -0.167 0.88430E+04 165 stilpnomelane-Mg 4.81 0.92 -3.90 -0.116 0.98289E+04 166 stishovite 2.07 -2.10 -4.18 -1.392 0.10529E+05 169 sulfur -8.97 -12.89 -3.93 -1.208 0.99043E+04 171 talc 7.35 5.43 -1.92 -0.113 0.48358E+04 178 topaz-H -5.30 -9.22 -3.92 -0.357 0.98944E+04 179 tridymite -1.91 -2.10 -0.19 -0.064 0.48153E+03 180 tremolite 24.01 19.68 -4.33 -0.117 0.10926E+05 182 troilite-low -6.35 -7.36 -1.02 -0.339 0.25619E+04 186 wadsleyite-Fe 7.28 2.92 -4.36 -0.623 0.10991E+05 188 wairakite -7.13 -8.81 -1.68 -0.099 0.42429E+04 189 walstromite 7.08 4.61 -2.46 -0.493 0.62137E+04 190 wollastonite 6.39 4.61 -1.77 -0.354 0.44665E+04 191 pseudo-wollastonite 6.67 4.61 -2.06 -0.411 0.51882E+04 192 zoisite -0.00 -3.55 -3.55 -0.161 0.89547E+04 193 beidellite-Ca -11.72 -14.90 -3.19 -0.197 0.80354E+04 194 beidellite-H -11.98 -16.01 -4.03 -0.257 0.10170E+05 195 beidellite-K -11.02 -14.82 -3.80 -0.233 0.95858E+04 196 beidellite-Mg -11.97 -15.25 -3.28 -0.203 0.82772E+04 197 beidellite-Na -10.98 -14.54 -3.55 -0.218 0.89615E+04 200 chalcedony -1.95 -2.10 -0.15 -0.051 0.38220E+03 201 chalcocite -19.46 -21.01 -1.55 -0.389 0.39201E+04 202 covellite -14.91 -16.95 -2.05 -0.779 0.51602E+04 204 montmorillonite-Ca -9.52 -11.72 -2.20 -0.136 0.55542E+04 205 montmorillonite-K -8.97 -11.65 -2.68 -0.164 0.67503E+04 206 montmorillonite-Mg -9.79 -12.07 -2.28 -0.141 0.57491E+04 207 montmorillonite-Na -8.82 -11.36 -2.53 -0.155 0.63928E+04 209 nontronite-Ca -2.31 -5.78 -3.47 -0.225 0.87546E+04 210 nontronite-H -2.58 -6.89 -4.31 -0.289 0.10876E+05 211 nontronite-K -1.62 -5.70 -4.09 -0.262 0.10302E+05 212 nontronite-Mg -2.56 -6.13 -3.57 -0.232 0.90043E+04 213 nontronite-Na -1.58 -5.41 -3.84 -0.246 0.96809E+04 215 topaz -25.42 -29.45 -4.03 -0.447 0.10152E+05 229 tobermorite 7.89 3.49 -4.40 -1.200 0.11091E+05 235 alabandite -3.66 -8.35 -4.70 -1.565 0.11844E+05 240 boehmite -1.52 -3.56 -2.04 -0.340 0.51450E+04 242 chalcopyrite -24.25 -24.32 -0.07 -0.012 0.16452E+03 245 copper,native -0.67 -4.06 -3.39 -1.180 0.85580E+04 246 dolomite,disordered -4.70 -6.77 -2.06 -0.344 0.52049E+04 247 ferrous-oxide 4.83 2.51 -2.32 -0.580 0.58537E+04 248 fluorite -12.14 -13.51 -1.37 -0.457 0.34557E+04 249 galena -10.07 -11.32 -1.25 -0.417 0.31572E+04 257 silica-amorphous -1.63 -2.10 -0.47 -0.158 0.11931E+04 260 sphalerite -10.32 -12.38 -2.06 -0.686 0.51926E+04 261 wurtzite -9.08 -12.38 -3.29 -1.098 0.83076E+04 263 an20ab80 -4.11 -5.24 -1.13 -0.087 0.28468E+04 264 an25ab75 -4.04 -5.20 -1.17 -0.090 0.29381E+04 265 an30ab70 -3.95 -5.16 -1.21 -0.093 0.30442E+04 266 tr.625ac.25prg.125 19.60 16.22 -3.38 -0.091 0.85237E+04 271 FeS-amorphous -4.40 -7.36 -2.97 -0.989 0.74853E+04 Calculations done for 278.0000 Deg. C; 74.3050 bar Enthalpies: Pure water 5.2797 kcal/mole H2O,gas 11.6961 kcal/mole CO2,gas 3.9856 kcal/mole CH4,gas 4.1115 kcal/mole Current solution 292.0688 Gas 4.4618 kcal Total current enthalpy 296.5306 kcal Starting enthalpy 296.5306 kcal Temperature changed by -2.000 degrees to 276.000 degrees C. Solids and gases carried ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ Test file for CHIM-XPT. Boil Broadlands Water Water similar to Broadlands Well No. 2 CHIMRUN demo-2a ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ Number of loops used = 16 Loop limit = 200 Temperature = 276.00 C Pressure = 68.94 bar Mixer fraction = 0.0000000 Total current enthalpy = 296.5306 KCAL Water: Moles liquid = 0.5496E+02 kg liquid = 0.9901E+00 Moles total = 0.5551E+02 kg total = 0.1000E+01 Activity = 0.9983 Stoichiometric ionic strength = .7897824E-01 Osmotic coef. = 0.8666 True ionic strength = .3152411E-01 Chg. balance for total moles = 0.2402E-07 Max. difference allowed = 0.3072E-05 Log Log Log Species(n) Molality Molality Activity Activity Gamma Gamma 1 H+ 0.74395E-06 -6.1285 0.51715E-06 -6.2864 0.69513E+00 -0.1579 2 H2O 0.99832E+00 -0.0007 0.99832E+00 -0.0007 3 Cl- 0.28943E-01 -1.5385 0.19791E-01 -1.7035 0.68380E+00 -0.1651 4 SO4-- 0.21313E-08 -8.6714 0.51862E-09 -9.2852 0.24334E+00 -0.6138 5 HCO3- 0.20001E-02 -2.6990 0.13772E-02 -2.8610 0.68859E+00 -0.1620 6 HS- 0.34658E-03 -3.4602 0.23717E-03 -3.6249 0.68431E+00 -0.1647 7 H4SiO4 0.79174E-02 -2.1014 0.79174E-02 -2.1014 0.10000E+01 0.0000 8 Al+++ 0.14414E-20 -20.8412 0.58604E-22 -22.2321 0.40657E-01 -1.3909 9 Ca++ 0.95419E-05 -5.0204 0.22637E-05 -5.6452 0.23724E+00 -0.6248 10 Mg++ 0.74965E-07 -7.1251 0.17439E-07 -7.7585 0.23262E+00 -0.6334 11 Fe++ 0.51867E-09 -9.2851 0.12124E-09 -9.9163 0.23376E+00 -0.6312 12 K+ 0.36993E-02 -2.4319 0.25523E-02 -2.5931 0.68995E+00 -0.1612 13 Na+ 0.27769E-01 -1.5564 0.18998E-01 -1.7213 0.68416E+00 -0.1648 14 Mn++ 0.63996E-10 -10.1938 0.15014E-10 -10.8235 0.23460E+00 -0.6297 15 Zn++ 0.47695E-14 -14.3215 0.11149E-14 -14.9528 0.23376E+00 -0.6312 16 Cu+ 0.19232E-11 -11.7160 0.13155E-11 -11.8809 0.68399E+00 -0.1650 17 Pb++ 0.50848E-13 -13.2937 0.12208E-13 -13.9134 0.24009E+00 -0.6196 18 Hg++ 0.19990E-31 -31.6992 0.47724E-32 -32.3213 0.23874E+00 -0.6221 19 F- 0.19099E-03 -3.7190 0.12888E-03 -3.8898 0.67478E+00 -0.1708 21 HSiO3- 0.13219E-04 -4.8788 0.90393E-05 -5.0439 0.68380E+00 -0.1651 22 Ca(HSiO3)+ 0.47312E-07 -7.3250 0.32672E-07 -7.4858 0.69057E+00 -0.1608 23 Mg(HSiO3)+ 0.23075E-09 -9.6369 0.15935E-09 -9.7976 0.69057E+00 -0.1608 24 NaHSiO3,aq 0.31635E-05 -5.4998 0.31635E-05 -5.4998 0.10000E+01 0.0000 27 HAlO2,aq 0.10271E-07 -7.9884 0.10271E-07 -7.9884 0.10000E+01 0.0000 28 AlO2- 0.14359E-05 -5.8429 0.97099E-06 -6.0128 0.67621E+00 -0.1699 29 CH4,aq 0.96054E-03 -3.0175 0.94009E-03 -3.0268 0.97871E+00 -0.0093 30 C2H6,aq 0.92697E-09 -9.0329 0.90723E-09 -9.0423 0.97871E+00 -0.0093 34 CO,aq 0.10000E-05 -6.0000 0.10000E-05 -6.0000 0.10000E+01 0.0000 35 CO2,aq 0.88176E-01 -1.0547 0.86299E-01 -1.0640 0.97871E+00 -0.0093 36 CO3-2 0.77783E-07 -7.1091 0.18771E-07 -7.7265 0.24133E+00 -0.6174 37 CaCO3,aq 0.30442E-06 -6.5165 0.30442E-06 -6.5165 0.10000E+01 0.0000 38 Ca(HCO3)+ 0.11965E-04 -4.9221 0.82629E-05 -5.0829 0.69057E+00 -0.1608 39 CaCl+ 0.11920E-04 -4.9237 0.82315E-05 -5.0845 0.69057E+00 -0.1608 40 CaCl2,aq 0.23831E-06 -6.6229 0.23831E-06 -6.6229 0.10000E+01 0.0000 41 CaF+ 0.84068E-06 -6.0754 0.58054E-06 -6.2362 0.69057E+00 -0.1608 42 CaOH+ 0.11120E-05 -5.9539 0.76789E-06 -6.1147 0.69057E+00 -0.1608 43 CaSO4,aq 0.50424E-10 -10.2974 0.50424E-10 -10.2974 0.10000E+01 0.0000 44 HCl,aq 0.58041E-07 -7.2363 0.58041E-07 -7.2363 0.10000E+01 0.0000 53 CuCl,aq 0.35621E-09 -9.4483 0.35621E-09 -9.4483 0.10000E+01 0.0000 54 CuCl2- 0.24091E-09 -9.6181 0.16474E-09 -9.7832 0.68380E+00 -0.1651 61 HF,aq 0.40066E-04 -4.3972 0.40066E-04 -4.3972 0.10000E+01 0.0000 62 HF2- 0.21793E-08 -8.6617 0.14902E-08 -8.8267 0.68380E+00 -0.1651 64 FeCl+ 0.39097E-09 -9.4079 0.26999E-09 -9.5686 0.69057E+00 -0.1608 65 FeCl2,aq 0.64219E-10 -10.1923 0.64219E-10 -10.1923 0.10000E+01 0.0000 67 FeF+ 0.55348E-10 -10.2569 0.38222E-10 -10.4177 0.69057E+00 -0.1608 69 FeO,aq 0.22145E-08 -8.6547 0.22145E-08 -8.6547 0.10000E+01 0.0000 70 FeOH+ 0.28086E-08 -8.5515 0.19395E-08 -8.7123 0.69057E+00 -0.1608 71 HFeO2- 0.20886E-09 -9.6801 0.14282E-09 -9.8452 0.68380E+00 -0.1651 74 FeO2- 0.19390E-09 -9.7124 0.13259E-09 -9.8775 0.68380E+00 -0.1651 75 HFeO2,aq 0.13822E-09 -9.8594 0.13822E-09 -9.8594 0.10000E+01 0.0000 76 H2,aq 0.27260E-03 -3.5645 0.26680E-03 -3.5738 0.97871E+00 -0.0093 77 Hg,aq 0.19174E-08 -8.7173 0.18766E-08 -8.7266 0.97871E+00 -0.0093 90 KCl,aq 0.53320E-04 -4.2731 0.53320E-04 -4.2731 0.10000E+01 0.0000 92 KOH,aq 0.19527E-06 -6.7094 0.19527E-06 -6.7094 0.10000E+01 0.0000 93 KSO4- 0.10625E-08 -8.9737 0.72653E-09 -9.1387 0.68380E+00 -0.1651 94 MgCO3,aq 0.23465E-09 -9.6296 0.23465E-09 -9.6296 0.10000E+01 0.0000 95 Mg(HCO3)+ 0.80137E-07 -7.0962 0.55340E-07 -7.2570 0.69057E+00 -0.1608 96 MgCl+ 0.39842E-07 -7.3997 0.27514E-07 -7.5605 0.69057E+00 -0.1608 97 MgF+ 0.16773E-07 -7.7754 0.11583E-07 -7.9362 0.69057E+00 -0.1608 98 MgOH+ 0.25721E-07 -7.5897 0.17762E-07 -7.7505 0.69057E+00 -0.1608 102 MnOH+ 0.53442E-10 -10.2721 0.36905E-10 -10.4329 0.69057E+00 -0.1608 107 MnCl+ 0.11736E-08 -8.9305 0.81044E-09 -9.0913 0.69057E+00 -0.1608 109 NaCl,aq 0.20181E-02 -2.6951 0.20181E-02 -2.6951 0.10000E+01 0.0000 110 NaF,aq 0.11250E-04 -4.9488 0.11250E-04 -4.9488 0.10000E+01 0.0000 111 NaOH,aq 0.90573E-06 -6.0430 0.90573E-06 -6.0430 0.10000E+01 0.0000 113 OH- 0.17941E-04 -4.7461 0.12132E-04 -4.9161 0.67621E+00 -0.1699 124 Pb(HS)2,aq 0.10909E-07 -7.9622 0.10909E-07 -7.9622 0.10000E+01 0.0000 125 Pb(HS)3- 0.20661E-09 -9.6848 0.14128E-09 -9.8499 0.68380E+00 -0.1651 126 H2S,aq 0.40519E-02 -2.3923 0.39656E-02 -2.4017 0.97871E+00 -0.0093 127 S2-2 0.65033E-10 -10.1869 0.15694E-10 -10.8043 0.24133E+00 -0.6174 134 HSO3- 0.16542E-10 -10.7814 0.11311E-10 -10.9465 0.68380E+00 -0.1651 135 HSO4- 0.20242E-09 -9.6938 0.14023E-09 -9.8532 0.69277E+00 -0.1594 149 ZnCl+ 0.13375E-10 -10.8737 0.92361E-11 -11.0345 0.69057E+00 -0.1608 154 ZnOH+ 0.43731E-10 -10.3592 0.30199E-10 -10.5200 0.69057E+00 -0.1608 158 AlF2+ 0.16540E-08 -8.7815 0.11422E-08 -8.9423 0.69057E+00 -0.1608 159 AlF3,aq 0.25296E-06 -6.5969 0.25296E-06 -6.5969 0.10000E+01 0.0000 160 AlF4- 0.56581E-06 -6.2473 0.38690E-06 -6.4124 0.68380E+00 -0.1651 161 AlF5-- 0.95836E-08 -8.0185 0.23128E-08 -8.6359 0.24133E+00 -0.6174 164 Cu(HS)2- 0.54795E-07 -7.2613 0.37469E-07 -7.4263 0.68380E+00 -0.1651 165 CuH4S3-a 0.41834E-10 -10.3785 0.28606E-10 -10.5435 0.68380E+00 -0.1651 166 CuH4S3-b 0.43772E-10 -10.3588 0.29931E-10 -10.5239 0.68380E+00 -0.1651 177 HgH4S3,aq 0.58653E-10 -10.2317 0.58653E-10 -10.2317 0.10000E+01 0.0000 180 MnCl2,aq 0.12953E-08 -8.8876 0.12953E-08 -8.8876 0.10000E+01 0.0000 181 MnCl3- 0.16654E-09 -9.7785 0.11388E-09 -9.9435 0.68380E+00 -0.1651 183 NaCO3- 0.22577E-07 -7.6463 0.15438E-07 -7.8114 0.68380E+00 -0.1651 184 NaHCO3,aq 0.10808E-03 -3.9663 0.10808E-03 -3.9663 0.10000E+01 0.0000 185 NaHS,aq 0.18612E-04 -4.7302 0.18612E-04 -4.7302 0.10000E+01 0.0000 186 NaSO4- 0.13979E-08 -8.8545 0.95590E-09 -9.0196 0.68380E+00 -0.1651 187 PbCO3,aq 0.14500E-10 -10.8386 0.14500E-10 -10.8386 0.10000E+01 0.0000 188 PbOH+ 0.26997E-10 -10.5687 0.18643E-10 -10.7295 0.69057E+00 -0.1608 189 PbH4S3,aq 0.47439E-10 -10.3239 0.47439E-10 -10.3239 0.10000E+01 0.0000 193 Zn(HS)2,aq 0.15273E-07 -7.8161 0.15273E-07 -7.8161 0.10000E+01 0.0000 194 Zn(HS)3- 0.12038E-09 -9.9195 0.82313E-10 -10.0845 0.68380E+00 -0.1651 Charge balance for all species = 0.2426E-07 Component Molality Aq.molality ppm log[A(N)/A(H+)**Z] (total) 1 H+ 0.7439515E-06 0.9215809E-01 0.9225532E+02 0.0000 2 H2O 0.1000000E+01 0.5542131E+02 0.9916117E+06 0.0000 3 Cl- 0.2894331E-01 0.3102720E-01 0.1092493E+04 4.5829 4 SO4-- 0.2131265E-08 -.1028935E-02 -.9816604E+02 3.2876 5 HCO3- 0.2000083E-02 0.9125771E-01 0.5530255E+04 3.4254 6 HS- 0.3465843E-03 0.5446156E-02 0.1788850E+03 2.6615 7 H4SiO4 0.7917425E-02 0.7933855E-02 0.7573569E+03 -2.1014 8 Al+++ 0.1441417E-20 0.2276204E-05 0.6099590E-01 -3.3729 9 Ca++ 0.9541938E-05 0.3596994E-04 0.1431756E+01 6.9276 10 Mg++ 0.7496548E-07 0.2379045E-06 0.5744425E-02 4.8143 11 Fe++ 0.5186666E-09 0.6594049E-08 0.3657424E-03 2.6564 12 K+ 0.3699320E-02 0.3752836E-02 0.1457411E+03 3.6933 13 Na+ 0.2776906E-01 0.2992916E-01 0.6833656E+03 4.5651 14 Mn++ 0.6399581E-10 0.2767813E-08 0.1510194E-03 1.7493 15 Zn++ 0.4769496E-14 0.1545291E-07 0.1003257E-02 -2.3800 16 Cu+ 0.1923231E-11 0.5548023E-07 0.3501135E-02 -5.5945 17 Pb++ 0.5084764E-13 0.1121094E-07 0.2306928E-02 -1.3406 18 Hg++ 0.1998998E-31 0.1980866E-08 0.3946278E-03 -19.7485 19 F- 0.1909906E-03 0.2462421E-03 0.4646153E+01 2.3966 Component Tot moles Aq. moles Solid moles Gas moles 1 H+ 0.1822172E+00 0.9124613E-01 -.4279651E-08 0.9097109E-01 2 H2O 0.5550825E+02 0.5487289E+02 -.7442871E-09 0.6353623E+00 3 Cl- 0.3072017E-01 0.3072017E-01 0.0000000E+00 0.1331253E-08 4 SO4-- -.4257700E-02 -.1018754E-02 0.1860718E-09 -.3238947E-02 5 HCO3- 0.1832100E+00 0.9035467E-01 0.0000000E+00 0.9285533E-01 6 HS- 0.9985820E-02 0.5392263E-02 0.5768225E-08 0.4593551E-02 7 H4SiO4 0.7855346E-02 0.7855346E-02 0.0000000E+00 0.0000000E+00 8 Al+++ 0.2253680E-05 0.2253680E-05 0.0000000E+00 0.0000000E+00 9 Ca++ 0.3561400E-04 0.3561400E-04 0.0000000E+00 0.0000000E+00 10 Mg++ 0.2355503E-06 0.2355503E-06 0.0000000E+00 0.0000000E+00 11 Fe++ 0.8017372E-08 0.6528798E-08 0.1488574E-08 0.0000000E+00 12 K+ 0.3715700E-02 0.3715700E-02 0.0000000E+00 0.0000000E+00 13 Na+ 0.2963300E-01 0.2963300E-01 0.0000000E+00 0.0000000E+00 14 Mn++ 0.2740424E-08 0.2740424E-08 0.0000000E+00 0.0000000E+00 15 Zn++ 0.1530000E-07 0.1530000E-07 0.0000000E+00 0.0000000E+00 16 Cu+ 0.6237410E-07 0.5493123E-07 0.7442871E-08 0.0000000E+00 17 Pb++ 0.1110000E-07 0.1110000E-07 0.0000000E+00 0.0000000E+00 18 Hg++ 0.4000000E-08 0.1961264E-08 0.0000000E+00 0.2038736E-08 19 F- 0.2439100E-03 0.2438054E-03 0.0000000E+00 0.1045728E-06 Chg. balance for solid moles: -.1534E-16 Mass of aqueous solution: 0.996914E+03 g Temperature = 276.00 C Pressure = 68.94 bar Mixer frac. = 0.0000000 Log Log Vol Gas or mineral Moles Moles Grams Grams Wt.% (cm3) H2O,gas 0.7213 -0.142 12.99 1.114 76.23 348.5 CO2,gas 0.8986E-01 -1.046 3.955 0.597 23.21 65.00 CH4,gas 0.2994E-02 -2.524 0.4802E-01 -1.319 0.2818 2.417 H2,gas 0.9779E-03 -3.010 0.1975E-02 -2.704 0.1159E-01 0.6637 H2S,gas 0.1355E-02 -2.868 0.4616E-01 -1.336 0.2709 0.8283 CO,gas 0.2591E-05 -5.587 0.7257E-04 -4.139 0.4259E-03 0.1716E-02 SO2,gas 0.1550E-12 -12.810 0.9928E-11 -11.003 0.5826E-10 0.1026E-09 HF,gas 0.1046E-06 -6.981 0.2091E-05 -5.680 0.1227E-04 0.6926E-04 HCl,gas 0.1331E-08 -8.876 0.4854E-07 -7.314 0.2848E-06 0.8817E-06 Hg,gas 0.2039E-08 -8.691 0.4090E-06 -6.388 0.2400E-05 0.1350E-05 bornite 0.1489E-08 -8.827 0.7470E-06 -6.127 100.0 0.1470E-06 Partial press. Fugacity coef Log fugacity Gas or Mineral Mole fraction or activity Activity coef Log activity H2O,gas 0.8834E+00 0.6090E+02 0.7972 1.686 CO2,gas 0.1101E+00 0.7588E+01 0.9697 0.867 CH4,gas 0.3667E-02 0.2528E+00 1.1838 -0.524 H2,gas 0.1198E-02 0.8258E-01 1.0250 -1.072 H2S,gas 0.1659E-02 0.1144E+00 0.9220 -0.977 CO,gas 0.3174E-05 0.2188E-03 1.0000 -3.660 SO2,gas 0.1898E-12 0.1309E-10 1.0000 -10.883 HF,gas 0.1281E-06 0.8830E-05 1.0000 -5.054 HCl,gas 0.1631E-08 0.1124E-06 1.0000 -6.949 Hg,gas 0.2497E-08 0.1721E-06 1.0000 -6.764 bornite 0.1000E+01 0.1000E+01 1.0000 0.000 Current weight percent of gas: 1.680615 % Solid products produced: Mass = 0.000001 g Volume = 0.000000 cm3 WARNING: mineral volume may be in error because some mineral densities were not supplied in SOLTHERM. See mineral list in file Skip_Species.txt. NON-Ideal mixing with H2O, CO2, CH4 Gases ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ The following gases and minerals are presently in matrix or were just added Gas or Mineral Log K Log Q Log(Q/K) Log(Q/K)/S Affinity Log Fugacity 1 H2O,gas 0.15 0.15 0.00 0.000 -0.25711E-08 2 CO2,gas -8.17 -8.17 -0.00 -0.000 0.11784E-08 3 CH4,gas 5.16 5.16 -0.00 -0.000 0.25398E-08 4 H2,gas 5.90 5.90 -0.00 -0.000 0.22988E-09 5 H2S,gas -7.10 -7.10 0.00 0.000 -0.71642E-09 6 CO,gas -0.66 -0.66 -0.00 -0.000 0.11159E-11 7 SO2,gas -6.15 -6.15 -0.00 -0.000 0.22318E-11 8 HF,gas -3.28 -3.28 0.00 0.000 0.00000E+00 9 HCl,gas 0.80 0.80 -0.00 -0.000 0.50216E-11 10 Hg,gas -8.16 -8.16 -0.00 -0.000 0.89273E-11 198 bornite -66.45 -66.45 0.00 0.000 0.00000E+00 The following gases and minerals are presently EXCLUDED from matrix (Gases and minerals with log(Q/K) less than -5 are not listed below) Gas or Mineral Log K Log Q Log(Q/K) Log(Q/K)/S Affinity Log Fugacity 11 acmite 4.54 1.53 -3.01 -0.313 0.75760E+04 15 albite-high -3.82 -5.11 -1.29 -0.099 0.32432E+04 16 albite -4.27 -5.11 -0.84 -0.065 0.21135E+04 20 analcite -1.43 -3.01 -1.58 -0.175 0.39678E+04 21 andalusite -6.24 -8.85 -2.61 -0.261 0.65586E+04 22 andradite 21.26 16.81 -4.46 -0.232 0.11200E+05 23 grossular 11.37 7.73 -3.64 -0.182 0.91369E+04 25 ankerite -6.87 -8.71 -1.84 -0.307 0.46354E+04 26 annite 5.78 1.99 -3.79 -0.211 0.95319E+04 27 phlogopite 10.89 8.46 -2.43 -0.135 0.61101E+04 29 anorthite -2.12 -4.02 -1.90 -0.146 0.47852E+04 32 aragonite -1.58 -2.22 -0.64 -0.212 0.15982E+04 33 brucite 7.73 4.81 -2.92 -0.584 0.73406E+04 34 calcite -1.73 -2.22 -0.49 -0.162 0.12214E+04 35 carnegieite-low 2.31 -0.91 -3.22 -0.460 0.80997E+04 36 carnegieite-high 2.78 -0.91 -3.69 -0.528 0.92827E+04 37 carpholite-Mg -3.61 -6.14 -2.52 -0.168 0.63436E+04 38 carpholite-Fe -5.01 -8.29 -3.29 -0.219 0.82592E+04 39 celadonite -0.41 -3.27 -2.86 -0.168 0.71940E+04 40 celadonite-Fe -1.67 -5.43 -3.75 -0.221 0.94261E+04 41 chrysotile 13.23 10.24 -2.99 -0.249 0.75042E+04 43 clinochlore 12.53 11.02 -1.51 -0.047 0.38017E+04 44 daphnite 5.06 0.23 -4.83 -0.151 0.12136E+05 47 chloritoid-Mg -1.21 -4.04 -2.83 -0.189 0.71062E+04 48 chloritoid-Fe -3.88 -6.19 -2.31 -0.154 0.58091E+04 51 coesite -1.64 -2.10 -0.46 -0.152 0.11475E+04 56 corundum -3.88 -6.75 -2.87 -0.261 0.72022E+04 58 cristobalite -1.89 -2.10 -0.21 -0.069 0.51640E+03 61 cymrite-K -2.24 -5.98 -3.74 -0.312 0.93965E+04 63 diaspore -2.24 -3.37 -1.13 -0.189 0.28438E+04 64 diamond -1.78 -3.17 -1.40 -0.399 0.35121E+04 65 diopside 8.79 7.54 -1.25 -0.125 0.31513E+04 66 hedenbergite 7.30 5.38 -1.92 -0.192 0.48233E+04 67 dolomite,ordered -4.90 -6.55 -1.65 -0.275 0.41520E+04 68 eastonite 3.78 -1.00 -4.79 -0.184 0.12028E+05 69 enstatite 8.52 5.43 -3.09 -0.309 0.77607E+04 70 clinoenstatite-HiP 9.27 5.43 -3.84 -0.384 0.96546E+04 71 clinoenstatite 8.45 5.43 -3.03 -0.303 0.76052E+04 72 protoenstatite 8.82 5.43 -3.39 -0.339 0.85272E+04 73 epidote 4.46 1.97 -2.49 -0.121 0.62643E+04 74 clinozoisite 0.18 -2.57 -2.74 -0.125 0.68968E+04 75 epidote-Fe 11.07 6.50 -4.57 -0.237 0.11475E+05 76 fayalite 6.16 3.21 -2.95 -0.421 0.74003E+04 77 ferrosilite 4.19 1.11 -3.07 -0.307 0.77255E+04 78 forsterite 11.07 7.53 -3.54 -0.506 0.89055E+04 81 gibbsite -0.84 -3.38 -2.53 -0.362 0.63595E+04 82 glaucophane 5.02 0.02 -5.00 -0.135 0.12554E+05 84 goethite 2.99 1.16 -1.83 -0.395 0.45864E+04 85 graphite -2.15 -3.17 -1.03 -0.293 0.25779E+04 86 greenalite 7.61 3.77 -3.85 -0.320 0.96624E+04 88 halite 0.71 -3.42 -4.14 -2.069 0.10399E+05 89 hematite 5.00 2.32 -2.68 -0.324 0.67230E+04 90 heulandite -13.01 -14.53 -1.51 -0.069 0.37952E+04 91 hercynite 0.37 -4.09 -4.46 -0.297 0.11204E+05 94 jadeite -0.56 -3.01 -2.45 -0.245 0.61530E+04 96 kalsilite 1.53 -1.78 -3.31 -0.473 0.83232E+04 97 kaolinite -8.75 -10.95 -2.20 -0.200 0.55227E+04 98 kyanite -6.17 -8.85 -2.68 -0.268 0.67362E+04 100 laumontite -6.43 -8.22 -1.79 -0.119 0.45007E+04 101 lawsonite -1.82 -4.02 -2.20 -0.147 0.55250E+04 102 leucite -1.19 -3.88 -2.70 -0.270 0.67726E+04 104 lizardite 13.01 10.24 -2.77 -0.231 0.69686E+04 105 magnesite -2.55 -4.33 -1.78 -0.593 0.44727E+04 106 magnetite 8.38 4.98 -3.39 -0.277 0.85306E+04 107 minnesotaite 2.85 -0.43 -3.29 -0.193 0.82588E+04 108 minnesotaite-Mg 10.14 6.04 -4.10 -0.241 0.10297E+05 112 margarite -7.34 -10.77 -3.43 -0.137 0.86192E+04 115 microcline -5.32 -5.98 -0.66 -0.051 0.16523E+04 116 monticellite 14.27 9.64 -4.63 -0.661 0.11634E+05 118 mullite-Si -4.85 -8.85 -4.00 -0.400 0.10053E+05 119 muscovite -10.52 -12.73 -2.21 -0.130 0.55497E+04 120 paragonite -9.62 -11.86 -2.24 -0.132 0.56243E+04 121 nepheline 1.82 -0.91 -2.73 -0.390 0.68556E+04 126 periclase 9.39 4.81 -4.58 -1.145 0.11506E+05 127 periclase-Fe 6.17 2.66 -3.51 -0.878 0.88281E+04 133 phlogopite-Na 12.29 9.33 -2.96 -0.164 0.74395E+04 135 prehnite 2.99 0.81 -2.19 -0.129 0.54918E+04 136 prehnite-Fe 7.99 5.34 -2.64 -0.159 0.66435E+04 140 px-Ca-tschermaks 2.36 -1.92 -4.28 -0.305 0.10747E+05 141 pyrite -19.80 -20.15 -0.35 -0.082 0.87718E+03 142 pyrrhotite -6.30 -7.25 -0.95 -0.317 0.23872E+04 143 pyrrhotiteFe0.875 -7.38 -7.96 -0.57 -0.211 0.14421E+04 144 pyroxmangite 3.99 -0.35 -4.34 -0.868 0.10902E+05 145 pyrophyllite -12.95 -15.15 -2.20 -0.137 0.55235E+04 146 quartz -2.08 -2.10 -0.02 -0.005 0.41173E+02 149 ringwoodite-Fe 7.33 3.21 -4.12 -0.588 0.10346E+05 151 rhodochrosite -3.09 -7.40 -4.30 -1.435 0.10816E+05 152 rhodonite 4.00 -0.35 -4.35 -0.870 0.10931E+05 153 sanidine -4.50 -5.98 -1.48 -0.114 0.37191E+04 155 siderite -4.86 -6.49 -1.63 -0.543 0.40943E+04 156 sillimanite -6.11 -8.85 -2.74 -0.274 0.68915E+04 158 spinel 2.97 -1.93 -4.90 -0.327 0.12313E+05 163 stilbite -11.57 -14.53 -2.95 -0.141 0.74220E+04 164 stilpnomelane-Fe -4.20 -8.43 -4.22 -0.126 0.10611E+05 165 stilpnomelane-Mg 5.02 2.36 -2.65 -0.079 0.66710E+04 166 stishovite 2.08 -2.10 -4.18 -1.393 0.10499E+05 169 sulfur -8.95 -12.90 -3.95 -1.214 0.99164E+04 171 talc 7.43 6.04 -1.39 -0.081 0.34803E+04 173 talc-tschermaks 0.99 -3.42 -4.41 -0.259 0.11077E+05 178 topaz-H -5.21 -8.85 -3.64 -0.331 0.91484E+04 179 tridymite -1.92 -2.10 -0.18 -0.061 0.46132E+03 180 tremolite 24.22 21.12 -3.10 -0.084 0.77795E+04 182 troilite-low -6.32 -7.25 -0.94 -0.313 0.23609E+04 186 wadsleyite-Fe 7.35 3.21 -4.14 -0.591 0.10399E+05 188 wairakite -7.03 -8.22 -1.19 -0.070 0.30014E+04 189 walstromite 7.12 4.83 -2.29 -0.458 0.57519E+04 190 wollastonite 6.42 4.83 -1.59 -0.319 0.40040E+04 191 pseudo-wollastonite 6.71 4.83 -1.88 -0.376 0.47278E+04 192 zoisite 0.20 -2.57 -2.77 -0.126 0.69666E+04 193 beidellite-Ca -11.62 -14.43 -2.81 -0.174 0.70525E+04 194 beidellite-H -11.89 -15.57 -3.68 -0.235 0.92565E+04 195 beidellite-K -10.93 -14.35 -3.42 -0.209 0.85921E+04 196 beidellite-Mg -11.87 -14.77 -2.90 -0.180 0.72995E+04 197 beidellite-Na -10.89 -14.06 -3.17 -0.194 0.79713E+04 200 chalcedony -1.96 -2.10 -0.14 -0.048 0.35965E+03 201 chalcocite -19.51 -21.10 -1.59 -0.397 0.39951E+04 202 covellite -14.93 -17.00 -2.07 -0.788 0.51954E+04 204 montmorillonite-Ca -9.45 -11.30 -1.85 -0.115 0.46548E+04 205 montmorillonite-K -8.90 -11.23 -2.33 -0.142 0.58438E+04 206 montmorillonite-Mg -9.72 -11.65 -1.93 -0.120 0.48543E+04 207 montmorillonite-Na -8.76 -10.94 -2.18 -0.134 0.54858E+04 209 nontronite-Ca -2.25 -5.35 -3.10 -0.201 0.77924E+04 210 nontronite-H -2.52 -6.50 -3.97 -0.266 0.99838E+04 211 nontronite-K -1.56 -5.28 -3.71 -0.238 0.93295E+04 212 nontronite-Mg -2.50 -5.70 -3.20 -0.208 0.80470E+04 213 nontronite-Na -1.52 -4.99 -3.47 -0.223 0.87112E+04 215 topaz -25.31 -29.20 -3.89 -0.432 0.97636E+04 229 tobermorite 7.91 3.67 -4.24 -1.156 0.10645E+05 235 alabandite -3.62 -8.16 -4.54 -1.514 0.11416E+05 240 boehmite -1.47 -3.37 -1.91 -0.318 0.47915E+04 242 chalcopyrite -24.25 -24.25 -0.00 -0.000 0.22105E+01 245 copper,native -0.69 -4.10 -3.41 -1.188 0.85805E+04 246 dolomite,disordered -4.62 -6.55 -1.93 -0.321 0.48463E+04 247 ferrous-oxide 4.87 2.66 -2.22 -0.555 0.55740E+04 248 fluorite -12.10 -13.42 -1.33 -0.443 0.33415E+04 249 galena -10.07 -11.25 -1.18 -0.394 0.29682E+04 257 silica-amorphous -1.63 -2.10 -0.47 -0.156 0.11768E+04 260 sphalerite -10.30 -12.29 -1.99 -0.663 0.50002E+04 261 wurtzite -9.06 -12.29 -3.23 -1.077 0.81153E+04 263 an20ab80 -4.05 -4.89 -0.84 -0.064 0.21025E+04 264 an25ab75 -3.97 -4.84 -0.86 -0.066 0.21683E+04 265 an30ab70 -3.89 -4.78 -0.90 -0.069 0.22491E+04 266 tr.625ac.25prg.125 19.83 17.65 -2.17 -0.059 0.54614E+04 271 FeS-amorphous -4.37 -7.25 -2.88 -0.960 0.72378E+04 Calculations done for 276.0000 Deg. C; 68.9397 bar Enthalpies: Pure water 5.2343 kcal/mole H2O,gas 11.7691 kcal/mole CO2,gas 3.9841 kcal/mole CH4,gas 4.0630 kcal/mole Current solution 287.6719 Gas 8.8587 kcal Total current enthalpy 296.5306 kcal Starting enthalpy 296.5306 kcal Temperature changed by -2.000 degrees to 274.000 degrees C. Solids and gases carried ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ Test file for CHIM-XPT. Boil Broadlands Water Water similar to Broadlands Well No. 2 CHIMRUN demo-2a ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ Number of loops used = 17 Loop limit = 200 Temperature = 274.00 C Pressure = 64.98 bar Mixer fraction = 0.0000000 Total current enthalpy = 296.5306 KCAL Water: Moles liquid = 0.5460E+02 kg liquid = 0.9837E+00 Moles total = 0.5551E+02 kg total = 0.1000E+01 Activity = 0.9987 Stoichiometric ionic strength = .6939117E-01 Osmotic coef. = 0.8705 True ionic strength = .3180166E-01 Chg. balance for total moles = 0.2402E-07 Max. difference allowed = 0.3072E-05 Log Log Log Species(n) Molality Molality Activity Activity Gamma Gamma 1 H+ 0.62760E-06 -6.2023 0.43735E-06 -6.3592 0.69687E+00 -0.1569 2 H2O 0.99869E+00 -0.0006 0.99869E+00 -0.0006 3 Cl- 0.29199E-01 -1.5346 0.20019E-01 -1.6986 0.68560E+00 -0.1639 4 SO4-- 0.33758E-08 -8.4716 0.82875E-09 -9.0816 0.24550E+00 -0.6100 5 HCO3- 0.19731E-02 -2.7049 0.13622E-02 -2.8658 0.69038E+00 -0.1609 6 HS- 0.37910E-03 -3.4212 0.26011E-03 -3.5848 0.68612E+00 -0.1636 7 H4SiO4 0.79655E-02 -2.0988 0.79655E-02 -2.0988 0.10000E+01 0.0000 8 Al+++ 0.10557E-20 -20.9765 0.43770E-22 -22.3588 0.41462E-01 -1.3824 9 Ca++ 0.99997E-05 -5.0000 0.23937E-05 -5.6209 0.23937E+00 -0.6209 10 Mg++ 0.77016E-07 -7.1134 0.18079E-07 -7.7428 0.23474E+00 -0.6294 11 Fe++ 0.47206E-09 -9.3260 0.11135E-09 -9.9533 0.23588E+00 -0.6273 12 K+ 0.37256E-02 -2.4288 0.25771E-02 -2.5889 0.69173E+00 -0.1601 13 Na+ 0.28019E-01 -1.5525 0.19220E-01 -1.7162 0.68596E+00 -0.1637 14 Mn++ 0.69780E-10 -10.1563 0.16519E-10 -10.7820 0.23673E+00 -0.6257 15 Zn++ 0.44136E-14 -14.3552 0.10411E-14 -14.9825 0.23588E+00 -0.6273 16 Cu+ 0.15499E-11 -11.8097 0.10629E-11 -11.9735 0.68579E+00 -0.1638 17 Pb++ 0.45512E-13 -13.3419 0.11024E-13 -13.9576 0.24223E+00 -0.6158 18 Hg++ 0.11171E-31 -31.9519 0.26908E-32 -32.5701 0.24088E+00 -0.6182 19 F- 0.20051E-03 -3.6979 0.13567E-03 -3.8675 0.67662E+00 -0.1697 21 HSiO3- 0.16224E-04 -4.7898 0.11123E-04 -4.9538 0.68560E+00 -0.1639 22 Ca(HSiO3)+ 0.57296E-07 -7.2419 0.39669E-07 -7.4016 0.69234E+00 -0.1597 23 Mg(HSiO3)+ 0.27592E-09 -9.5592 0.19103E-09 -9.7189 0.69234E+00 -0.1597 24 NaHSiO3,aq 0.38288E-05 -5.4169 0.38288E-05 -5.4169 0.10000E+01 0.0000 27 HAlO2,aq 0.11363E-07 -7.9445 0.11363E-07 -7.9445 0.10000E+01 0.0000 28 AlO2- 0.18531E-05 -5.7321 0.12565E-05 -5.9009 0.67805E+00 -0.1687 29 CH4,aq 0.64305E-03 -3.1918 0.63081E-03 -3.2001 0.98096E+00 -0.0083 30 C2H6,aq 0.43767E-09 -9.3589 0.42934E-09 -9.3672 0.98096E+00 -0.0083 34 CO,aq 0.70154E-06 -6.1539 0.70154E-06 -6.1539 0.10000E+01 0.0000 35 CO2,aq 0.68510E-01 -1.1642 0.67206E-01 -1.1726 0.98096E+00 -0.0083 36 CO3-2 0.95187E-07 -7.0214 0.23176E-07 -7.6350 0.24348E+00 -0.6135 37 CaCO3,aq 0.35610E-06 -6.4484 0.35610E-06 -6.4484 0.10000E+01 0.0000 38 Ca(HCO3)+ 0.11587E-04 -4.9360 0.80220E-05 -5.0957 0.69234E+00 -0.1597 39 CaCl+ 0.11810E-04 -4.9277 0.81766E-05 -5.0874 0.69234E+00 -0.1597 40 CaCl2,aq 0.22868E-06 -6.6408 0.22868E-06 -6.6408 0.10000E+01 0.0000 41 CaF+ 0.86424E-06 -6.0634 0.59835E-06 -6.2230 0.69234E+00 -0.1597 42 CaOH+ 0.13019E-05 -5.8854 0.90136E-06 -6.0451 0.69234E+00 -0.1597 43 CaSO4,aq 0.77480E-10 -10.1108 0.77480E-10 -10.1108 0.10000E+01 0.0000 44 HCl,aq 0.46261E-07 -7.3348 0.46261E-07 -7.3348 0.10000E+01 0.0000 53 CuCl,aq 0.28193E-09 -9.5499 0.28193E-09 -9.5499 0.10000E+01 0.0000 54 CuCl2- 0.19095E-09 -9.7191 0.13091E-09 -9.8830 0.68560E+00 -0.1639 61 HF,aq 0.33468E-04 -4.4754 0.33468E-04 -4.4754 0.10000E+01 0.0000 62 HF2- 0.19173E-08 -8.7173 0.13145E-08 -8.8812 0.68560E+00 -0.1639 64 FeCl+ 0.33797E-09 -9.4711 0.23399E-09 -9.6308 0.69234E+00 -0.1597 65 FeCl2,aq 0.49335E-10 -10.3068 0.49335E-10 -10.3068 0.10000E+01 0.0000 67 FeF+ 0.49960E-10 -10.3014 0.34589E-10 -10.4611 0.69234E+00 -0.1597 69 FeO,aq 0.25759E-08 -8.5891 0.25759E-08 -8.5891 0.10000E+01 0.0000 70 FeOH+ 0.29015E-08 -8.5374 0.20089E-08 -8.6970 0.69234E+00 -0.1597 71 HFeO2- 0.29062E-09 -9.5367 0.19925E-09 -9.7006 0.68560E+00 -0.1639 74 FeO2- 0.27352E-09 -9.5630 0.18753E-09 -9.7269 0.68560E+00 -0.1639 75 HFeO2,aq 0.16819E-09 -9.7742 0.16819E-09 -9.7742 0.10000E+01 0.0000 76 H2,aq 0.24520E-03 -3.6105 0.24054E-03 -3.6188 0.98096E+00 -0.0083 77 Hg,aq 0.14789E-08 -8.8301 0.14508E-08 -8.8384 0.98096E+00 -0.0083 90 KCl,aq 0.51463E-04 -4.2885 0.51463E-04 -4.2885 0.10000E+01 0.0000 92 KOH,aq 0.22685E-06 -6.6443 0.22685E-06 -6.6443 0.10000E+01 0.0000 93 KSO4- 0.16084E-08 -8.7936 0.11028E-08 -8.9575 0.68560E+00 -0.1639 94 MgCO3,aq 0.27124E-09 -9.5666 0.27124E-09 -9.5666 0.10000E+01 0.0000 95 Mg(HCO3)+ 0.76346E-07 -7.1172 0.52858E-07 -7.2769 0.69234E+00 -0.1597 96 MgCl+ 0.38994E-07 -7.4090 0.26997E-07 -7.5687 0.69234E+00 -0.1597 97 MgF+ 0.16963E-07 -7.7705 0.11744E-07 -7.9302 0.69234E+00 -0.1597 98 MgOH+ 0.29590E-07 -7.5289 0.20487E-07 -7.6885 0.69234E+00 -0.1597 101 MnO,aq 0.10886E-10 -10.9631 0.10886E-10 -10.9631 0.10000E+01 0.0000 102 MnOH+ 0.65969E-10 -10.1807 0.45673E-10 -10.3403 0.69234E+00 -0.1597 107 MnCl+ 0.11957E-08 -8.9224 0.82784E-09 -9.0821 0.69234E+00 -0.1597 109 NaCl,aq 0.19673E-02 -2.7061 0.19673E-02 -2.7061 0.10000E+01 0.0000 110 NaF,aq 0.11384E-04 -4.9437 0.11384E-04 -4.9437 0.10000E+01 0.0000 111 NaOH,aq 0.10563E-05 -5.9762 0.10563E-05 -5.9762 0.10000E+01 0.0000 113 OH- 0.21419E-04 -4.6692 0.14523E-04 -4.8379 0.67805E+00 -0.1687 124 Pb(HS)2,aq 0.10971E-07 -7.9597 0.10971E-07 -7.9597 0.10000E+01 0.0000 125 Pb(HS)3- 0.22092E-09 -9.6558 0.15146E-09 -9.8197 0.68560E+00 -0.1639 126 H2S,aq 0.35404E-02 -2.4509 0.34730E-02 -2.4593 0.98096E+00 -0.0083 127 S2-2 0.79618E-10 -10.0990 0.19385E-10 -10.7125 0.24348E+00 -0.6135 134 HSO3- 0.19100E-10 -10.7190 0.13095E-10 -10.8829 0.68560E+00 -0.1639 135 HSO4- 0.25090E-09 -9.6005 0.17426E-09 -9.7588 0.69454E+00 -0.1583 149 ZnCl+ 0.11354E-10 -10.9449 0.78608E-11 -11.1045 0.69234E+00 -0.1597 154 ZnOH+ 0.45146E-10 -10.3454 0.31257E-10 -10.5051 0.69234E+00 -0.1597 158 AlF2+ 0.91635E-09 -9.0379 0.63443E-09 -9.1976 0.69234E+00 -0.1597 159 AlF3,aq 0.13256E-06 -6.8776 0.13256E-06 -6.8776 0.10000E+01 0.0000 160 AlF4- 0.28813E-06 -6.5404 0.19754E-06 -6.7043 0.68560E+00 -0.1639 161 AlF5-- 0.50448E-08 -8.2972 0.12283E-08 -8.9107 0.24348E+00 -0.6135 164 Cu(HS)2- 0.57701E-07 -7.2388 0.39560E-07 -7.4027 0.68560E+00 -0.1639 165 CuH4S3-a 0.35358E-10 -10.4515 0.24241E-10 -10.6154 0.68560E+00 -0.1639 166 CuH4S3-b 0.44274E-10 -10.3539 0.30354E-10 -10.5178 0.68560E+00 -0.1639 177 HgH4S3,aq 0.30460E-10 -10.5163 0.30460E-10 -10.5163 0.10000E+01 0.0000 180 MnCl2,aq 0.12676E-08 -8.8970 0.12676E-08 -8.8970 0.10000E+01 0.0000 181 MnCl3- 0.16717E-09 -9.7768 0.11461E-09 -9.9408 0.68560E+00 -0.1639 183 NaCO3- 0.29428E-07 -7.5312 0.20176E-07 -7.6952 0.68560E+00 -0.1639 184 NaHCO3,aq 0.10223E-03 -3.9904 0.10223E-03 -3.9904 0.10000E+01 0.0000 185 NaHS,aq 0.19522E-04 -4.7095 0.19522E-04 -4.7095 0.10000E+01 0.0000 186 NaSO4- 0.21348E-08 -8.6706 0.14636E-08 -8.8346 0.68560E+00 -0.1639 187 PbCO3,aq 0.17119E-10 -10.7665 0.17119E-10 -10.7665 0.10000E+01 0.0000 188 PbOH+ 0.27852E-10 -10.5551 0.19283E-10 -10.7148 0.69234E+00 -0.1597 189 PbH4S3,aq 0.40826E-10 -10.3891 0.40826E-10 -10.3891 0.10000E+01 0.0000 193 Zn(HS)2,aq 0.15359E-07 -7.8136 0.15359E-07 -7.8136 0.10000E+01 0.0000 194 Zn(HS)3- 0.13612E-09 -9.8661 0.93322E-10 -10.0300 0.68560E+00 -0.1639 Charge balance for all species = 0.2442E-07 Component Molality Aq.molality ppm log[A(N)/A(H+)**Z] (total) 1 H+ 0.6276025E-06 0.7197199E-01 0.7211033E+02 0.0000 2 H2O 0.1000000E+01 0.5544064E+02 0.9928165E+06 0.0000 3 Cl- 0.2919871E-01 0.3122978E-01 0.1100579E+04 4.6606 4 SO4-- 0.3375809E-08 -.7045171E-03 -.6727298E+02 3.6368 5 HCO3- 0.1973061E-02 0.7124147E-01 0.4321002E+04 3.4934 6 HS- 0.3791015E-03 0.4643743E-02 0.1526610E+03 2.7743 7 H4SiO4 0.7965548E-02 0.7985658E-02 0.7629622E+03 -2.0988 8 Al+++ 0.1055663E-20 0.2291067E-05 0.6144734E-01 -3.2813 9 Ca++ 0.9999742E-05 0.3620480E-04 0.1442353E+01 7.0974 10 Mg++ 0.7701600E-07 0.2394578E-06 0.5786941E-02 4.9755 11 Fe++ 0.4720565E-09 0.7119702E-08 0.3952401E-03 2.7650 12 K+ 0.3725648E-02 0.3777340E-02 0.1468197E+03 3.7703 13 Na+ 0.2801928E-01 0.3012458E-01 0.6884233E+03 4.6429 14 Mn++ 0.6977958E-10 0.2785885E-08 0.1521372E-03 1.9363 15 Zn++ 0.4413596E-14 0.1555381E-07 0.1010682E-02 -2.2642 16 Cu+ 0.1549877E-11 0.5825547E-07 0.3679453E-02 -5.6143 17 Pb++ 0.4551179E-13 0.1128414E-07 0.2324002E-02 -1.2393 18 Hg++ 0.1117077E-31 0.1513404E-08 0.3017612E-03 -19.8518 19 F- 0.2005085E-03 0.2478230E-03 0.4680031E+01 2.4916 Component Tot moles Aq. moles Solid moles Gas moles 1 H+ 0.1822172E+00 0.7079753E-01 -.2914823E-08 0.1114197E+00 2 H2O 0.5550825E+02 0.5453594E+02 -.5069258E-09 0.9723174E+00 3 Cl- 0.3072017E-01 0.3072017E-01 0.0000000E+00 0.1585522E-08 4 SO4-- -.4257700E-02 -.6930205E-03 0.1267315E-09 -.3564680E-02 5 HCO3- 0.1832100E+00 0.7007893E-01 0.0000000E+00 0.1131311E+00 6 HS- 0.9985820E-02 0.4567965E-02 0.3928675E-08 0.5417851E-02 7 H4SiO4 0.7855346E-02 0.7855346E-02 0.0000000E+00 0.0000000E+00 8 Al+++ 0.2253680E-05 0.2253680E-05 0.0000000E+00 0.0000000E+00 9 Ca++ 0.3561400E-04 0.3561400E-04 0.0000000E+00 0.0000000E+00 10 Mg++ 0.2355503E-06 0.2355503E-06 0.0000000E+00 0.0000000E+00 11 Fe++ 0.8017372E-08 0.7003520E-08 0.1013852E-08 0.0000000E+00 12 K+ 0.3715700E-02 0.3715700E-02 0.0000000E+00 0.0000000E+00 13 Na+ 0.2963300E-01 0.2963300E-01 0.0000000E+00 0.0000000E+00 14 Mn++ 0.2740424E-08 0.2740424E-08 0.0000000E+00 0.0000000E+00 15 Zn++ 0.1530000E-07 0.1530000E-07 0.0000000E+00 0.0000000E+00 16 Cu+ 0.6237410E-07 0.5730484E-07 0.5069258E-08 0.0000000E+00 17 Pb++ 0.1110000E-07 0.1110000E-07 0.0000000E+00 0.0000000E+00 18 Hg++ 0.4000000E-08 0.1488708E-08 0.0000000E+00 0.2511292E-08 19 F- 0.2439100E-03 0.2437789E-03 0.0000000E+00 0.1311056E-06 Chg. balance for solid moles: -.1206E-16 Mass of aqueous solution: 0.989590E+03 g Temperature = 274.00 C Pressure = 64.98 bar Mixer frac. = 0.0000000 Log Log Vol Gas or mineral Moles Moles Grams Grams Wt.% (cm3) H2O,gas 1.078 0.032 19.41 1.288 79.66 561.0 CO2,gas 0.1099 -0.959 4.837 0.685 19.86 83.86 CH4,gas 0.3214E-02 -2.493 0.5156E-01 -1.288 0.2116 2.739 H2,gas 0.1399E-02 -2.854 0.2825E-02 -2.549 0.1160E-01 1.002 H2S,gas 0.1853E-02 -2.732 0.6316E-01 -1.200 0.2592 1.202 CO,gas 0.2911E-05 -5.536 0.8154E-04 -4.089 0.3347E-03 0.2038E-02 SO2,gas 0.2178E-12 -12.662 0.1395E-10 -10.855 0.5727E-10 0.1525E-09 HF,gas 0.1311E-06 -6.882 0.2622E-05 -5.581 0.1076E-04 0.9178E-04 HCl,gas 0.1586E-08 -8.800 0.5781E-07 -7.238 0.2373E-06 0.1110E-05 Hg,gas 0.2511E-08 -8.600 0.5037E-06 -6.298 0.2068E-05 0.1758E-05 bornite 0.1014E-08 -8.994 0.5088E-06 -6.293 100.0 0.1001E-06 Partial press. Fugacity coef Log fugacity Gas or Mineral Mole fraction or activity Activity coef Log activity H2O,gas 0.9025E+00 0.5865E+02 0.8059 1.675 CO2,gas 0.9205E-01 0.5982E+01 0.9720 0.765 CH4,gas 0.2692E-02 0.1749E+00 1.1804 -0.685 H2,gas 0.1171E-02 0.7612E-01 1.0237 -1.108 H2S,gas 0.1552E-02 0.1009E+00 0.9252 -1.030 CO,gas 0.2438E-05 0.1584E-03 1.0000 -3.800 SO2,gas 0.1824E-12 0.1185E-10 1.0000 -10.926 HF,gas 0.1098E-06 0.7135E-05 1.0000 -5.147 HCl,gas 0.1328E-08 0.8629E-07 1.0000 -7.064 Hg,gas 0.2103E-08 0.1367E-06 1.0000 -6.864 bornite 0.1000E+01 0.1000E+01 1.0000 0.000 Current weight percent of gas: 2.402764 % Solid products produced: Mass = 0.000001 g Volume = 0.000000 cm3 WARNING: mineral volume may be in error because some mineral densities were not supplied in SOLTHERM. See mineral list in file Skip_Species.txt. NON-Ideal mixing with H2O, CO2, CH4 Gases ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ The following gases and minerals are presently in matrix or were just added Gas or Mineral Log K Log Q Log(Q/K) Log(Q/K)/S Affinity Log Fugacity 1 H2O,gas 0.14 0.14 -0.00 -0.000 0.59130E-09 2 CO2,gas -8.18 -8.18 0.00 0.000 -0.26240E-09 3 CH4,gas 5.13 5.13 0.00 0.000 -0.58261E-09 4 H2,gas 5.88 5.88 0.00 0.000 -0.55593E-10 5 H2S,gas -7.10 -7.10 -0.00 -0.000 0.16900E-09 6 CO,gas -0.65 -0.65 -0.00 -0.000 0.33356E-11 7 SO2,gas -6.10 -6.10 -0.00 -0.000 0.13342E-10 8 HF,gas -3.27 -3.27 -0.00 -0.000 0.22237E-11 9 HCl,gas 0.82 0.82 0.00 0.000 0.00000E+00 10 Hg,gas -8.21 -8.21 0.00 0.000 -0.13342E-10 198 bornite -66.56 -66.56 -0.00 -0.000 0.35579E-10 242 chalcopyrite -24.25 -24.22 0.03 0.006 -0.86941E+02 The following gases and minerals are presently EXCLUDED from matrix (Gases and minerals with log(Q/K) less than -5 are not listed below) Gas or Mineral Log K Log Q Log(Q/K) Log(Q/K)/S Affinity Log Fugacity 11 acmite 4.57 1.73 -2.84 -0.295 0.71152E+04 15 albite-high -3.78 -4.93 -1.16 -0.089 0.28966E+04 16 albite -4.23 -4.93 -0.70 -0.054 0.17589E+04 20 analcite -1.39 -2.84 -1.45 -0.161 0.36261E+04 21 andalusite -6.13 -8.66 -2.53 -0.253 0.63296E+04 22 andradite 21.42 17.56 -3.86 -0.201 0.96653E+04 23 grossular 11.56 8.43 -3.13 -0.157 0.78366E+04 25 ankerite -6.80 -8.59 -1.79 -0.298 0.44787E+04 26 annite 5.91 2.49 -3.42 -0.190 0.85664E+04 27 phlogopite 11.03 9.12 -1.91 -0.106 0.47927E+04 29 anorthite -1.98 -3.66 -1.68 -0.129 0.42104E+04 32 aragonite -1.55 -2.13 -0.58 -0.193 0.14497E+04 33 brucite 7.77 4.97 -2.80 -0.560 0.70091E+04 34 calcite -1.70 -2.13 -0.43 -0.143 0.10739E+04 35 carnegieite-low 2.37 -0.74 -3.11 -0.444 0.77892E+04 36 carnegieite-high 2.85 -0.74 -3.59 -0.512 0.89790E+04 37 carpholite-Mg -3.50 -5.79 -2.29 -0.152 0.57269E+04 38 carpholite-Fe -4.90 -8.00 -3.10 -0.207 0.77599E+04 39 celadonite -0.35 -2.93 -2.58 -0.152 0.64582E+04 40 celadonite-Fe -1.62 -5.14 -3.52 -0.207 0.88118E+04 41 chrysotile 13.32 10.73 -2.59 -0.216 0.64793E+04 43 clinochlore 12.76 12.02 -0.75 -0.023 0.18758E+04 44 daphnite 5.27 0.96 -4.31 -0.135 0.10796E+05 46 chlorite-Al-free 26.39 21.46 -4.94 -0.206 0.12358E+05 47 chloritoid-Mg -1.08 -3.69 -2.61 -0.174 0.65373E+04 48 chloritoid-Fe -3.76 -5.90 -2.14 -0.143 0.53519E+04 51 coesite -1.65 -2.10 -0.45 -0.150 0.11239E+04 56 corundum -3.77 -6.56 -2.79 -0.254 0.69964E+04 58 cristobalite -1.90 -2.10 -0.20 -0.066 0.49582E+03 61 cymrite-K -2.20 -5.81 -3.60 -0.300 0.90179E+04 63 diaspore -2.20 -3.28 -1.09 -0.181 0.27220E+04 64 diamond -1.78 -3.30 -1.52 -0.433 0.37954E+04 65 diopside 8.86 7.88 -0.98 -0.098 0.24608E+04 66 hedenbergite 7.36 5.67 -1.70 -0.170 0.42505E+04 67 dolomite,ordered -4.83 -6.38 -1.55 -0.258 0.38779E+04 68 eastonite 4.01 -0.32 -4.33 -0.166 0.10838E+05 69 enstatite 8.59 5.75 -2.84 -0.284 0.70996E+04 70 clinoenstatite-HiP 9.35 5.75 -3.59 -0.359 0.89931E+04 71 clinoenstatite 8.53 5.75 -2.77 -0.277 0.69442E+04 72 protoenstatite 8.90 5.75 -3.14 -0.314 0.78681E+04 73 epidote 4.65 2.62 -2.03 -0.098 0.50791E+04 74 clinozoisite 0.38 -1.95 -2.33 -0.106 0.58342E+04 75 epidote-Fe 11.24 7.18 -4.06 -0.211 0.10164E+05 76 fayalite 6.23 3.43 -2.79 -0.399 0.69957E+04 77 ferrosilite 4.25 1.33 -2.91 -0.291 0.72965E+04 78 forsterite 11.15 7.85 -3.30 -0.472 0.82684E+04 81 gibbsite -0.80 -3.28 -2.48 -0.355 0.62177E+04 82 glaucophane 5.18 0.86 -4.32 -0.117 0.10811E+05 84 goethite 3.02 1.28 -1.74 -0.375 0.43479E+04 85 graphite -2.15 -3.30 -1.14 -0.327 0.28634E+04 86 greenalite 7.69 4.10 -3.59 -0.299 0.89881E+04 88 halite 0.73 -3.41 -4.15 -2.073 0.10382E+05 89 hematite 5.07 2.56 -2.50 -0.304 0.62710E+04 90 heulandite -12.94 -14.15 -1.21 -0.055 0.30328E+04 91 hercynite 0.52 -3.80 -4.32 -0.288 0.10811E+05 94 jadeite -0.52 -2.83 -2.32 -0.232 0.58070E+04 96 kalsilite 1.59 -1.61 -3.20 -0.457 0.80032E+04 97 kaolinite -8.68 -10.76 -2.08 -0.189 0.52092E+04 98 kyanite -6.06 -8.66 -2.60 -0.260 0.65032E+04 100 laumontite -6.34 -7.86 -1.52 -0.101 0.37987E+04 101 lawsonite -1.72 -3.66 -1.95 -0.130 0.48771E+04 102 leucite -1.14 -3.71 -2.57 -0.257 0.64374E+04 104 lizardite 13.10 10.73 -2.37 -0.198 0.59364E+04 105 magnesite -2.51 -4.25 -1.74 -0.579 0.43472E+04 106 magnetite 8.48 5.33 -3.15 -0.257 0.78896E+04 107 minnesotaite 2.92 -0.10 -3.02 -0.178 0.75621E+04 108 minnesotaite-Mg 10.23 6.53 -3.69 -0.217 0.92497E+04 112 margarite -7.11 -10.23 -3.12 -0.125 0.78012E+04 115 microcline -5.29 -5.81 -0.51 -0.039 0.12831E+04 116 monticellite 14.36 9.97 -4.38 -0.626 0.10970E+05 118 mullite-Si -4.74 -8.66 -3.93 -0.393 0.98282E+04 119 muscovite -10.39 -12.37 -1.98 -0.116 0.49458E+04 120 paragonite -9.49 -11.50 -2.01 -0.118 0.50306E+04 121 nepheline 1.88 -0.74 -2.61 -0.373 0.65450E+04 126 periclase 9.45 4.97 -4.47 -1.118 0.11198E+05 127 periclase-Fe 6.22 2.76 -3.45 -0.863 0.86392E+04 133 phlogopite-Na 12.44 9.99 -2.45 -0.136 0.61358E+04 135 prehnite 3.14 1.34 -1.81 -0.106 0.45207E+04 136 prehnite-Fe 8.12 5.90 -2.22 -0.133 0.55534E+04 138 pumpellyite-Mg 9.18 4.36 -4.82 -0.107 0.12069E+05 140 px-Ca-tschermaks 2.50 -1.57 -4.07 -0.291 0.10184E+05 141 pyrite -19.78 -20.09 -0.31 -0.072 0.76820E+03 142 pyrrhotite -6.27 -7.18 -0.91 -0.303 0.22723E+04 143 pyrrhotiteFe0.875 -7.36 -7.89 -0.54 -0.198 0.13447E+04 144 pyroxmangite 4.02 -0.16 -4.18 -0.836 0.10463E+05 145 pyrophyllite -12.88 -14.96 -2.07 -0.130 0.51929E+04 146 quartz -2.09 -2.10 -0.01 -0.002 0.17964E+02 149 ringwoodite-Fe 7.40 3.43 -3.97 -0.567 0.99349E+04 151 rhodochrosite -3.06 -7.29 -4.23 -1.409 0.10581E+05 152 rhodonite 4.03 -0.16 -4.19 -0.838 0.10493E+05 153 sanidine -4.47 -5.81 -1.34 -0.103 0.33498E+04 155 siderite -4.83 -6.46 -1.63 -0.544 0.40840E+04 156 sillimanite -6.00 -8.66 -2.66 -0.266 0.66638E+04 158 spinel 3.12 -1.59 -4.71 -0.314 0.11802E+05 163 stilbite -11.53 -14.16 -2.63 -0.125 0.65831E+04 164 stilpnomelane-Fe -4.04 -7.64 -3.60 -0.108 0.90191E+04 165 stilpnomelane-Mg 5.22 3.41 -1.81 -0.054 0.45280E+04 166 stishovite 2.08 -2.10 -4.18 -1.394 0.10469E+05 168 sudoite -4.86 -9.47 -4.61 -0.149 0.11552E+05 169 sulfur -8.94 -12.91 -3.97 -1.222 0.99445E+04 171 talc 7.50 6.53 -0.97 -0.057 0.24312E+04 173 talc-tschermaks 1.15 -2.91 -4.06 -0.239 0.10159E+05 178 topaz-H -5.12 -8.66 -3.55 -0.322 0.88802E+04 179 tridymite -1.92 -2.10 -0.18 -0.059 0.44063E+03 180 tremolite 24.42 22.29 -2.14 -0.058 0.53527E+04 182 troilite-low -6.28 -7.18 -0.90 -0.299 0.22434E+04 186 wadsleyite-Fe 7.42 3.43 -3.99 -0.570 0.99920E+04 188 wairakite -6.92 -7.86 -0.94 -0.055 0.23418E+04 189 walstromite 7.15 5.00 -2.15 -0.431 0.53949E+04 190 wollastonite 6.46 5.00 -1.46 -0.291 0.36464E+04 191 pseudo-wollastonite 6.75 5.00 -1.75 -0.349 0.43722E+04 192 zoisite 0.41 -1.95 -2.36 -0.107 0.59048E+04 193 beidellite-Ca -11.52 -14.18 -2.65 -0.164 0.66425E+04 194 beidellite-H -11.79 -15.35 -3.55 -0.227 0.88985E+04 195 beidellite-K -10.84 -14.10 -3.26 -0.200 0.81708E+04 196 beidellite-Mg -11.77 -14.53 -2.75 -0.170 0.68939E+04 197 beidellite-Na -10.80 -13.81 -3.02 -0.185 0.75532E+04 200 chalcedony -1.96 -2.10 -0.13 -0.045 0.33663E+03 201 chalcocite -19.56 -21.17 -1.61 -0.403 0.40334E+04 202 covellite -14.96 -17.04 -2.09 -0.794 0.52202E+04 204 montmorillonite-Ca -9.38 -11.06 -1.68 -0.104 0.42040E+04 205 montmorillonite-K -8.84 -10.99 -2.15 -0.132 0.53855E+04 206 montmorillonite-Mg -9.65 -11.41 -1.76 -0.109 0.44078E+04 207 montmorillonite-Na -8.69 -10.70 -2.01 -0.123 0.50270E+04 209 nontronite-Ca -2.20 -5.05 -2.85 -0.185 0.71361E+04 210 nontronite-H -2.47 -6.22 -3.75 -0.251 0.93794E+04 211 nontronite-K -1.51 -4.97 -3.46 -0.222 0.86618E+04 212 nontronite-Mg -2.44 -5.40 -2.95 -0.192 0.73950E+04 213 nontronite-Na -1.47 -4.69 -3.21 -0.206 0.80469E+04 215 topaz -25.20 -29.11 -3.91 -0.435 0.97911E+04 229 tobermorite 7.92 3.81 -4.11 -1.121 0.10288E+05 235 alabandite -3.58 -8.01 -4.43 -1.475 0.11082E+05 240 boehmite -1.41 -3.28 -1.87 -0.311 0.46772E+04 245 copper,native -0.71 -4.13 -3.43 -1.192 0.85765E+04 246 dolomite,disordered -4.55 -6.38 -1.83 -0.305 0.45781E+04 247 ferrous-oxide 4.92 2.76 -2.15 -0.538 0.53870E+04 248 fluorite -12.05 -13.36 -1.31 -0.435 0.32710E+04 249 galena -10.07 -11.18 -1.11 -0.371 0.27883E+04 257 silica-amorphous -1.63 -2.10 -0.46 -0.154 0.11599E+04 260 sphalerite -10.28 -12.21 -1.92 -0.641 0.48155E+04 261 wurtzite -9.04 -12.21 -3.17 -1.056 0.79309E+04 263 an20ab80 -4.00 -4.68 -0.68 -0.052 0.17059E+04 264 an25ab75 -3.91 -4.62 -0.70 -0.054 0.17608E+04 265 an30ab70 -3.82 -4.55 -0.73 -0.056 0.18309E+04 266 tr.625ac.25prg.125 20.05 18.78 -1.27 -0.034 0.31902E+04 271 FeS-amorphous -4.35 -7.18 -2.83 -0.942 0.70747E+04 ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ Test file for CHIM-XPT. Boil Broadlands Water Water similar to Broadlands Well No. 2 CHIMRUN demo-2a ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ Number of loops used = 8 Loop limit = 200 Temperature = 274.00 C Pressure = 64.98 bar Mixer fraction = 0.0000000 Total current enthalpy = 296.5306 KCAL Water: Moles liquid = 0.5460E+02 kg liquid = 0.9837E+00 Moles total = 0.5551E+02 kg total = 0.1000E+01 Activity = 0.9987 Stoichiometric ionic strength = .6939117E-01 Osmotic coef. = 0.8705 True ionic strength = .3180166E-01 Chg. balance for total moles = 0.2402E-07 Max. difference allowed = 0.3072E-05 Log Log Log Species(n) Molality Molality Activity Activity Gamma Gamma 1 H+ 0.62760E-06 -6.2023 0.43735E-06 -6.3592 0.69687E+00 -0.1569 2 H2O 0.99869E+00 -0.0006 0.99869E+00 -0.0006 3 Cl- 0.29199E-01 -1.5346 0.20019E-01 -1.6986 0.68560E+00 -0.1639 4 SO4-- 0.33758E-08 -8.4716 0.82875E-09 -9.0816 0.24550E+00 -0.6100 5 HCO3- 0.19731E-02 -2.7049 0.13622E-02 -2.8658 0.69038E+00 -0.1609 6 HS- 0.37910E-03 -3.4212 0.26011E-03 -3.5848 0.68612E+00 -0.1636 7 H4SiO4 0.79655E-02 -2.0988 0.79655E-02 -2.0988 0.10000E+01 0.0000 8 Al+++ 0.10557E-20 -20.9765 0.43770E-22 -22.3588 0.41462E-01 -1.3824 9 Ca++ 0.99997E-05 -5.0000 0.23937E-05 -5.6209 0.23937E+00 -0.6209 10 Mg++ 0.77016E-07 -7.1134 0.18079E-07 -7.7428 0.23474E+00 -0.6294 11 Fe++ 0.42716E-09 -9.3694 0.10076E-09 -9.9967 0.23588E+00 -0.6273 12 K+ 0.37256E-02 -2.4288 0.25771E-02 -2.5889 0.69173E+00 -0.1601 13 Na+ 0.28019E-01 -1.5525 0.19220E-01 -1.7162 0.68596E+00 -0.1637 14 Mn++ 0.69780E-10 -10.1563 0.16519E-10 -10.7820 0.23673E+00 -0.6257 15 Zn++ 0.44136E-14 -14.3552 0.10411E-14 -14.9825 0.23588E+00 -0.6273 16 Cu+ 0.15812E-11 -11.8010 0.10844E-11 -11.9648 0.68579E+00 -0.1638 17 Pb++ 0.45512E-13 -13.3419 0.11024E-13 -13.9576 0.24223E+00 -0.6158 18 Hg++ 0.11171E-31 -31.9519 0.26908E-32 -32.5701 0.24088E+00 -0.6182 19 F- 0.20051E-03 -3.6979 0.13567E-03 -3.8675 0.67662E+00 -0.1697 21 HSiO3- 0.16224E-04 -4.7898 0.11123E-04 -4.9538 0.68560E+00 -0.1639 22 Ca(HSiO3)+ 0.57296E-07 -7.2419 0.39669E-07 -7.4016 0.69234E+00 -0.1597 23 Mg(HSiO3)+ 0.27592E-09 -9.5592 0.19103E-09 -9.7189 0.69234E+00 -0.1597 24 NaHSiO3,aq 0.38288E-05 -5.4169 0.38288E-05 -5.4169 0.10000E+01 0.0000 27 HAlO2,aq 0.11363E-07 -7.9445 0.11363E-07 -7.9445 0.10000E+01 0.0000 28 AlO2- 0.18530E-05 -5.7321 0.12565E-05 -5.9009 0.67805E+00 -0.1687 29 CH4,aq 0.64305E-03 -3.1918 0.63081E-03 -3.2001 0.98096E+00 -0.0083 30 C2H6,aq 0.43767E-09 -9.3589 0.42934E-09 -9.3672 0.98096E+00 -0.0083 34 CO,aq 0.70154E-06 -6.1539 0.70154E-06 -6.1539 0.10000E+01 0.0000 35 CO2,aq 0.68510E-01 -1.1642 0.67206E-01 -1.1726 0.98096E+00 -0.0083 36 CO3-2 0.95186E-07 -7.0214 0.23176E-07 -7.6350 0.24348E+00 -0.6135 37 CaCO3,aq 0.35609E-06 -6.4484 0.35609E-06 -6.4484 0.10000E+01 0.0000 38 Ca(HCO3)+ 0.11587E-04 -4.9360 0.80220E-05 -5.0957 0.69234E+00 -0.1597 39 CaCl+ 0.11810E-04 -4.9277 0.81766E-05 -5.0874 0.69234E+00 -0.1597 40 CaCl2,aq 0.22868E-06 -6.6408 0.22868E-06 -6.6408 0.10000E+01 0.0000 41 CaF+ 0.86424E-06 -6.0634 0.59835E-06 -6.2230 0.69234E+00 -0.1597 42 CaOH+ 0.13019E-05 -5.8854 0.90136E-06 -6.0451 0.69234E+00 -0.1597 43 CaSO4,aq 0.77480E-10 -10.1108 0.77480E-10 -10.1108 0.10000E+01 0.0000 44 HCl,aq 0.46261E-07 -7.3348 0.46261E-07 -7.3348 0.10000E+01 0.0000 53 CuCl,aq 0.28762E-09 -9.5412 0.28762E-09 -9.5412 0.10000E+01 0.0000 54 CuCl2- 0.19480E-09 -9.7104 0.13356E-09 -9.8743 0.68560E+00 -0.1639 61 HF,aq 0.33468E-04 -4.4754 0.33468E-04 -4.4754 0.10000E+01 0.0000 62 HF2- 0.19173E-08 -8.7173 0.13145E-08 -8.8812 0.68560E+00 -0.1639 64 FeCl+ 0.30582E-09 -9.5145 0.21173E-09 -9.6742 0.69234E+00 -0.1597 65 FeCl2,aq 0.44643E-10 -10.3503 0.44643E-10 -10.3503 0.10000E+01 0.0000 67 FeF+ 0.45208E-10 -10.3448 0.31299E-10 -10.5045 0.69234E+00 -0.1597 69 FeO,aq 0.23309E-08 -8.6325 0.23309E-08 -8.6325 0.10000E+01 0.0000 70 FeOH+ 0.26256E-08 -8.5808 0.18178E-08 -8.7405 0.69234E+00 -0.1597 71 HFeO2- 0.26298E-09 -9.5801 0.18030E-09 -9.7440 0.68560E+00 -0.1639 74 FeO2- 0.24751E-09 -9.6064 0.16969E-09 -9.7703 0.68560E+00 -0.1639 75 HFeO2,aq 0.15219E-09 -9.8176 0.15219E-09 -9.8176 0.10000E+01 0.0000 76 H2,aq 0.24520E-03 -3.6105 0.24054E-03 -3.6188 0.98096E+00 -0.0083 77 Hg,aq 0.14789E-08 -8.8301 0.14508E-08 -8.8384 0.98096E+00 -0.0083 90 KCl,aq 0.51463E-04 -4.2885 0.51463E-04 -4.2885 0.10000E+01 0.0000 92 KOH,aq 0.22685E-06 -6.6443 0.22685E-06 -6.6443 0.10000E+01 0.0000 93 KSO4- 0.16084E-08 -8.7936 0.11027E-08 -8.9575 0.68560E+00 -0.1639 94 MgCO3,aq 0.27124E-09 -9.5666 0.27124E-09 -9.5666 0.10000E+01 0.0000 95 Mg(HCO3)+ 0.76346E-07 -7.1172 0.52858E-07 -7.2769 0.69234E+00 -0.1597 96 MgCl+ 0.38994E-07 -7.4090 0.26997E-07 -7.5687 0.69234E+00 -0.1597 97 MgF+ 0.16963E-07 -7.7705 0.11744E-07 -7.9302 0.69234E+00 -0.1597 98 MgOH+ 0.29590E-07 -7.5289 0.20487E-07 -7.6885 0.69234E+00 -0.1597 101 MnO,aq 0.10886E-10 -10.9631 0.10886E-10 -10.9631 0.10000E+01 0.0000 102 MnOH+ 0.65969E-10 -10.1807 0.45673E-10 -10.3403 0.69234E+00 -0.1597 107 MnCl+ 0.11957E-08 -8.9224 0.82784E-09 -9.0821 0.69234E+00 -0.1597 109 NaCl,aq 0.19673E-02 -2.7061 0.19673E-02 -2.7061 0.10000E+01 0.0000 110 NaF,aq 0.11384E-04 -4.9437 0.11384E-04 -4.9437 0.10000E+01 0.0000 111 NaOH,aq 0.10563E-05 -5.9762 0.10563E-05 -5.9762 0.10000E+01 0.0000 113 OH- 0.21419E-04 -4.6692 0.14523E-04 -4.8379 0.67805E+00 -0.1687 124 Pb(HS)2,aq 0.10971E-07 -7.9597 0.10971E-07 -7.9597 0.10000E+01 0.0000 125 Pb(HS)3- 0.22092E-09 -9.6558 0.15146E-09 -9.8197 0.68560E+00 -0.1639 126 H2S,aq 0.35404E-02 -2.4509 0.34730E-02 -2.4593 0.98096E+00 -0.0083 127 S2-2 0.79618E-10 -10.0990 0.19385E-10 -10.7125 0.24348E+00 -0.6135 134 HSO3- 0.19100E-10 -10.7190 0.13095E-10 -10.8829 0.68560E+00 -0.1639 135 HSO4- 0.25090E-09 -9.6005 0.17426E-09 -9.7588 0.69454E+00 -0.1583 149 ZnCl+ 0.11354E-10 -10.9449 0.78608E-11 -11.1045 0.69234E+00 -0.1597 154 ZnOH+ 0.45146E-10 -10.3454 0.31257E-10 -10.5051 0.69234E+00 -0.1597 158 AlF2+ 0.91636E-09 -9.0379 0.63443E-09 -9.1976 0.69234E+00 -0.1597 159 AlF3,aq 0.13256E-06 -6.8776 0.13256E-06 -6.8776 0.10000E+01 0.0000 160 AlF4- 0.28813E-06 -6.5404 0.19754E-06 -6.7043 0.68560E+00 -0.1639 161 AlF5-- 0.50448E-08 -8.2972 0.12283E-08 -8.9107 0.24348E+00 -0.6135 164 Cu(HS)2- 0.58866E-07 -7.2301 0.40359E-07 -7.3941 0.68560E+00 -0.1639 165 CuH4S3-a 0.36071E-10 -10.4428 0.24731E-10 -10.6068 0.68560E+00 -0.1639 166 CuH4S3-b 0.45168E-10 -10.3452 0.30967E-10 -10.5091 0.68560E+00 -0.1639 177 HgH4S3,aq 0.30460E-10 -10.5163 0.30460E-10 -10.5163 0.10000E+01 0.0000 180 MnCl2,aq 0.12676E-08 -8.8970 0.12676E-08 -8.8970 0.10000E+01 0.0000 181 MnCl3- 0.16717E-09 -9.7768 0.11461E-09 -9.9408 0.68560E+00 -0.1639 183 NaCO3- 0.29428E-07 -7.5312 0.20176E-07 -7.6952 0.68560E+00 -0.1639 184 NaHCO3,aq 0.10223E-03 -3.9904 0.10223E-03 -3.9904 0.10000E+01 0.0000 185 NaHS,aq 0.19522E-04 -4.7095 0.19522E-04 -4.7095 0.10000E+01 0.0000 186 NaSO4- 0.21348E-08 -8.6706 0.14636E-08 -8.8346 0.68560E+00 -0.1639 187 PbCO3,aq 0.17119E-10 -10.7665 0.17119E-10 -10.7665 0.10000E+01 0.0000 188 PbOH+ 0.27852E-10 -10.5551 0.19283E-10 -10.7148 0.69234E+00 -0.1597 189 PbH4S3,aq 0.40826E-10 -10.3891 0.40826E-10 -10.3891 0.10000E+01 0.0000 193 Zn(HS)2,aq 0.15359E-07 -7.8136 0.15359E-07 -7.8136 0.10000E+01 0.0000 194 Zn(HS)3- 0.13612E-09 -9.8661 0.93322E-10 -10.0300 0.68560E+00 -0.1639 Charge balance for all species = 0.2442E-07 Component Molality Aq.molality ppm log[A(N)/A(H+)**Z] (total) 1 H+ 0.6276029E-06 0.7197199E-01 0.7211033E+02 -0.0000 2 H2O 0.1000000E+01 0.5544064E+02 0.9928165E+06 0.0000 3 Cl- 0.2919871E-01 0.3122978E-01 0.1100579E+04 4.6606 4 SO4-- 0.3375804E-08 -.7045171E-03 -.6727298E+02 3.6368 5 HCO3- 0.1973060E-02 0.7124147E-01 0.4321002E+04 3.4934 6 HS- 0.3791011E-03 0.4643744E-02 0.1526610E+03 2.7743 7 H4SiO4 0.7965548E-02 0.7985658E-02 0.7629622E+03 -2.0988 8 Al+++ 0.1055664E-20 0.2291067E-05 0.6144734E-01 -3.2813 9 Ca++ 0.9999744E-05 0.3620480E-04 0.1442353E+01 7.0974 10 Mg++ 0.7701601E-07 0.2394578E-06 0.5786941E-02 4.9755 11 Fe++ 0.4271572E-09 0.6442513E-08 0.3576469E-03 2.7216 12 K+ 0.3725648E-02 0.3777340E-02 0.1468197E+03 3.7703 13 Na+ 0.2801928E-01 0.3012458E-01 0.6884233E+03 4.6429 14 Mn++ 0.6977958E-10 0.2785885E-08 0.1521372E-03 1.9363 15 Zn++ 0.4413604E-14 0.1555381E-07 0.1010682E-02 -2.2642 16 Cu+ 0.1581172E-11 0.5943163E-07 0.3753739E-02 -5.6057 17 Pb++ 0.4551188E-13 0.1128414E-07 0.2324002E-02 -1.2393 18 Hg++ 0.1117078E-31 0.1513404E-08 0.3017612E-03 -19.8518 19 F- 0.2005085E-03 0.2478230E-03 0.4680031E+01 2.4916 Component Tot moles Aq. moles Solid moles Gas moles 1 H+ 0.1822172E+00 0.7079753E-01 -.2586146E-08 0.1114197E+00 2 H2O 0.5550825E+02 0.5453594E+02 -.8399951E-09 0.9723174E+00 3 Cl- 0.3072017E-01 0.3072017E-01 0.0000000E+00 0.1585523E-08 4 SO4-- -.4257700E-02 -.6930206E-03 0.2099988E-09 -.3564680E-02 5 HCO3- 0.1832100E+00 0.7007893E-01 0.0000000E+00 0.1131311E+00 6 HS- 0.9985820E-02 0.4567966E-02 0.4266136E-08 0.5417850E-02 7 H4SiO4 0.7855346E-02 0.7855346E-02 0.0000000E+00 0.0000000E+00 8 Al+++ 0.2253680E-05 0.2253680E-05 0.0000000E+00 0.0000000E+00 9 Ca++ 0.3561400E-04 0.3561400E-04 0.0000000E+00 0.0000000E+00 10 Mg++ 0.2355503E-06 0.2355503E-06 0.0000000E+00 0.0000000E+00 11 Fe++ 0.8017372E-08 0.6337382E-08 0.1679990E-08 0.0000000E+00 12 K+ 0.3715700E-02 0.3715700E-02 0.0000000E+00 0.0000000E+00 13 Na+ 0.2963300E-01 0.2963300E-01 0.0000000E+00 0.0000000E+00 14 Mn++ 0.2740424E-08 0.2740424E-08 0.0000000E+00 0.0000000E+00 15 Zn++ 0.1530000E-07 0.1530000E-07 0.0000000E+00 0.0000000E+00 16 Cu+ 0.6237410E-07 0.5846180E-07 0.3912299E-08 0.0000000E+00 17 Pb++ 0.1110000E-07 0.1110000E-07 0.0000000E+00 0.0000000E+00 18 Hg++ 0.4000000E-08 0.1488707E-08 0.0000000E+00 0.2511293E-08 19 F- 0.2439100E-03 0.2437789E-03 0.0000000E+00 0.1311056E-06 Chg. balance for solid moles: 0.8486E-18 Mass of aqueous solution: 0.989590E+03 g Temperature = 274.00 C Pressure = 64.98 bar Mixer frac. = 0.0000000 Log Log Vol Gas or mineral Moles Moles Grams Grams Wt.% (cm3) H2O,gas 1.078 0.032 19.41 1.288 79.66 561.0 CO2,gas 0.1099 -0.959 4.837 0.685 19.86 83.86 CH4,gas 0.3214E-02 -2.493 0.5156E-01 -1.288 0.2116 2.739 H2,gas 0.1399E-02 -2.854 0.2825E-02 -2.549 0.1160E-01 1.002 H2S,gas 0.1853E-02 -2.732 0.6316E-01 -1.200 0.2592 1.202 CO,gas 0.2911E-05 -5.536 0.8154E-04 -4.089 0.3347E-03 0.2038E-02 SO2,gas 0.2178E-12 -12.662 0.1395E-10 -10.855 0.5727E-10 0.1525E-09 HF,gas 0.1311E-06 -6.882 0.2622E-05 -5.581 0.1076E-04 0.9178E-04 HCl,gas 0.1586E-08 -8.800 0.5781E-07 -7.238 0.2373E-06 0.1110E-05 Hg,gas 0.2511E-08 -8.600 0.5037E-06 -6.298 0.2068E-05 0.1758E-05 bornite 0.5581E-09 -9.253 0.2800E-06 -6.553 57.63 0.5509E-07 chalcopyrite 0.1122E-08 -8.950 0.2059E-06 -6.686 42.37 0.4806E-07 Partial press. Fugacity coef Log fugacity Gas or Mineral Mole fraction or activity Activity coef Log activity H2O,gas 0.9025E+00 0.5865E+02 0.8059 1.675 CO2,gas 0.9205E-01 0.5982E+01 0.9720 0.765 CH4,gas 0.2692E-02 0.1749E+00 1.1804 -0.685 H2,gas 0.1171E-02 0.7612E-01 1.0237 -1.108 H2S,gas 0.1552E-02 0.1009E+00 0.9252 -1.030 CO,gas 0.2438E-05 0.1584E-03 1.0000 -3.800 SO2,gas 0.1824E-12 0.1185E-10 1.0000 -10.926 HF,gas 0.1098E-06 0.7135E-05 1.0000 -5.147 HCl,gas 0.1328E-08 0.8629E-07 1.0000 -7.064 Hg,gas 0.2103E-08 0.1367E-06 1.0000 -6.864 bornite 0.1000E+01 0.1000E+01 1.0000 0.000 chalcopyrite 0.1000E+01 0.1000E+01 1.0000 0.000 Current weight percent of gas: 2.402764 % Solid products produced: Mass = 0.000000 g Volume = 0.000000 cm3 WARNING: mineral volume may be in error because some mineral densities were not supplied in SOLTHERM. See mineral list in file Skip_Species.txt. NON-Ideal mixing with H2O, CO2, CH4 Gases ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ The following gases and minerals are presently in matrix or were just added Gas or Mineral Log K Log Q Log(Q/K) Log(Q/K)/S Affinity Log Fugacity 1 H2O,gas 0.14 0.14 -0.00 -0.000 0.10361E-09 2 CO2,gas -8.18 -8.18 0.00 0.000 -0.22237E-10 3 CH4,gas 5.13 5.13 0.00 0.000 -0.53369E-10 4 H2,gas 5.88 5.88 0.00 0.000 -0.88948E-11 5 H2S,gas -7.10 -7.10 -0.00 -0.000 0.33356E-10 6 CO,gas -0.65 -0.65 -0.00 -0.000 0.33356E-11 7 SO2,gas -6.10 -6.10 -0.00 -0.000 0.22237E-11 8 HF,gas -3.27 -3.27 0.00 0.000 -0.22237E-11 9 HCl,gas 0.82 0.82 -0.00 -0.000 0.22237E-11 10 Hg,gas -8.21 -8.21 -0.00 -0.000 0.13342E-10 198 bornite -66.56 -66.56 0.00 0.000 -0.35579E-10 242 chalcopyrite -24.25 -24.25 0.00 0.000 0.00000E+00 The following gases and minerals are presently EXCLUDED from matrix (Gases and minerals with log(Q/K) less than -5 are not listed below) Gas or Mineral Log K Log Q Log(Q/K) Log(Q/K)/S Affinity Log Fugacity 11 acmite 4.57 1.69 -2.89 -0.300 0.72239E+04 15 albite-high -3.78 -4.93 -1.16 -0.089 0.28966E+04 16 albite -4.23 -4.93 -0.70 -0.054 0.17589E+04 20 analcite -1.39 -2.84 -1.45 -0.161 0.36261E+04 21 andalusite -6.13 -8.66 -2.53 -0.253 0.63296E+04 22 andradite 21.42 17.48 -3.95 -0.205 0.98827E+04 23 grossular 11.56 8.43 -3.13 -0.157 0.78366E+04 25 ankerite -6.80 -8.63 -1.83 -0.305 0.45874E+04 26 annite 5.91 2.36 -3.55 -0.197 0.88924E+04 27 phlogopite 11.03 9.12 -1.91 -0.106 0.47927E+04 29 anorthite -1.98 -3.66 -1.68 -0.129 0.42104E+04 32 aragonite -1.55 -2.13 -0.58 -0.193 0.14497E+04 33 brucite 7.77 4.97 -2.80 -0.560 0.70091E+04 34 calcite -1.70 -2.13 -0.43 -0.143 0.10739E+04 35 carnegieite-low 2.37 -0.74 -3.11 -0.444 0.77892E+04 36 carnegieite-high 2.85 -0.74 -3.59 -0.512 0.89790E+04 37 carpholite-Mg -3.50 -5.79 -2.29 -0.152 0.57269E+04 38 carpholite-Fe -4.90 -8.04 -3.14 -0.210 0.78686E+04 39 celadonite -0.35 -2.93 -2.58 -0.152 0.64582E+04 40 celadonite-Fe -1.62 -5.18 -3.56 -0.210 0.89205E+04 41 chrysotile 13.32 10.73 -2.59 -0.216 0.64793E+04 43 clinochlore 12.76 12.02 -0.75 -0.023 0.18758E+04 44 daphnite 5.27 0.75 -4.53 -0.142 0.11340E+05 46 chlorite-Al-free 26.39 21.46 -4.94 -0.206 0.12358E+05 47 chloritoid-Mg -1.08 -3.69 -2.61 -0.174 0.65373E+04 48 chloritoid-Fe -3.76 -5.94 -2.18 -0.145 0.54605E+04 51 coesite -1.65 -2.10 -0.45 -0.150 0.11239E+04 56 corundum -3.77 -6.56 -2.79 -0.254 0.69964E+04 58 cristobalite -1.90 -2.10 -0.20 -0.066 0.49582E+03 61 cymrite-K -2.20 -5.81 -3.60 -0.300 0.90179E+04 63 diaspore -2.20 -3.28 -1.09 -0.181 0.27220E+04 64 diamond -1.78 -3.30 -1.52 -0.433 0.37954E+04 65 diopside 8.86 7.88 -0.98 -0.098 0.24608E+04 66 hedenbergite 7.36 5.62 -1.74 -0.174 0.43592E+04 67 dolomite,ordered -4.83 -6.38 -1.55 -0.258 0.38779E+04 68 eastonite 4.01 -0.32 -4.33 -0.166 0.10838E+05 69 enstatite 8.59 5.75 -2.84 -0.284 0.70996E+04 70 clinoenstatite-HiP 9.35 5.75 -3.59 -0.359 0.89931E+04 71 clinoenstatite 8.53 5.75 -2.77 -0.277 0.69442E+04 72 protoenstatite 8.90 5.75 -3.14 -0.314 0.78681E+04 73 epidote 4.65 2.58 -2.07 -0.100 0.51878E+04 74 clinozoisite 0.38 -1.95 -2.33 -0.106 0.58342E+04 75 epidote-Fe 11.24 7.10 -4.15 -0.215 0.10382E+05 76 fayalite 6.23 3.34 -2.88 -0.412 0.72130E+04 77 ferrosilite 4.25 1.25 -3.00 -0.300 0.75139E+04 78 forsterite 11.15 7.85 -3.30 -0.472 0.82684E+04 81 gibbsite -0.80 -3.28 -2.48 -0.355 0.62177E+04 82 glaucophane 5.18 0.86 -4.32 -0.117 0.10811E+05 84 goethite 3.02 1.24 -1.78 -0.385 0.44566E+04 85 graphite -2.15 -3.30 -1.14 -0.327 0.28634E+04 86 greenalite 7.69 3.97 -3.72 -0.310 0.93141E+04 88 halite 0.73 -3.41 -4.15 -2.073 0.10382E+05 89 hematite 5.07 2.48 -2.59 -0.314 0.64884E+04 90 heulandite -12.94 -14.15 -1.21 -0.055 0.30328E+04 91 hercynite 0.52 -3.84 -4.36 -0.291 0.10919E+05 94 jadeite -0.52 -2.83 -2.32 -0.232 0.58070E+04 96 kalsilite 1.59 -1.61 -3.20 -0.457 0.80032E+04 97 kaolinite -8.68 -10.76 -2.08 -0.189 0.52092E+04 98 kyanite -6.06 -8.66 -2.60 -0.260 0.65032E+04 100 laumontite -6.34 -7.86 -1.52 -0.101 0.37987E+04 101 lawsonite -1.72 -3.66 -1.95 -0.130 0.48771E+04 102 leucite -1.14 -3.71 -2.57 -0.257 0.64374E+04 104 lizardite 13.10 10.73 -2.37 -0.198 0.59364E+04 105 magnesite -2.51 -4.25 -1.74 -0.579 0.43472E+04 106 magnetite 8.48 5.20 -3.28 -0.268 0.82156E+04 107 minnesotaite 2.92 -0.23 -3.15 -0.185 0.78881E+04 108 minnesotaite-Mg 10.23 6.53 -3.69 -0.217 0.92497E+04 112 margarite -7.11 -10.23 -3.12 -0.125 0.78012E+04 115 microcline -5.29 -5.81 -0.51 -0.039 0.12831E+04 116 monticellite 14.36 9.97 -4.38 -0.626 0.10970E+05 118 mullite-Si -4.74 -8.66 -3.93 -0.393 0.98282E+04 119 muscovite -10.39 -12.37 -1.98 -0.116 0.49458E+04 120 paragonite -9.49 -11.50 -2.01 -0.118 0.50306E+04 121 nepheline 1.88 -0.74 -2.61 -0.373 0.65450E+04 126 periclase 9.45 4.97 -4.47 -1.118 0.11198E+05 127 periclase-Fe 6.22 2.72 -3.49 -0.874 0.87478E+04 133 phlogopite-Na 12.44 9.99 -2.45 -0.136 0.61358E+04 135 prehnite 3.14 1.34 -1.81 -0.106 0.45207E+04 136 prehnite-Fe 8.12 5.86 -2.26 -0.136 0.56621E+04 138 pumpellyite-Mg 9.18 4.36 -4.82 -0.107 0.12069E+05 140 px-Ca-tschermaks 2.50 -1.57 -4.07 -0.291 0.10184E+05 141 pyrite -19.78 -20.13 -0.35 -0.082 0.87688E+03 142 pyrrhotite -6.27 -7.22 -0.95 -0.317 0.23809E+04 143 pyrrhotiteFe0.875 -7.36 -7.93 -0.58 -0.211 0.14398E+04 144 pyroxmangite 4.02 -0.16 -4.18 -0.836 0.10463E+05 145 pyrophyllite -12.88 -14.96 -2.07 -0.130 0.51929E+04 146 quartz -2.09 -2.10 -0.01 -0.002 0.17964E+02 149 ringwoodite-Fe 7.40 3.34 -4.05 -0.579 0.10152E+05 151 rhodochrosite -3.06 -7.29 -4.23 -1.409 0.10581E+05 152 rhodonite 4.03 -0.16 -4.19 -0.838 0.10493E+05 153 sanidine -4.47 -5.81 -1.34 -0.103 0.33498E+04 155 siderite -4.83 -6.50 -1.67 -0.558 0.41927E+04 156 sillimanite -6.00 -8.66 -2.66 -0.266 0.66638E+04 158 spinel 3.12 -1.59 -4.71 -0.314 0.11802E+05 163 stilbite -11.53 -14.16 -2.63 -0.125 0.65831E+04 164 stilpnomelane-Fe -4.04 -7.86 -3.82 -0.114 0.95625E+04 165 stilpnomelane-Mg 5.22 3.41 -1.81 -0.054 0.45280E+04 166 stishovite 2.08 -2.10 -4.18 -1.394 0.10469E+05 168 sudoite -4.86 -9.47 -4.61 -0.149 0.11552E+05 169 sulfur -8.94 -12.91 -3.97 -1.222 0.99445E+04 171 talc 7.50 6.53 -0.97 -0.057 0.24313E+04 173 talc-tschermaks 1.15 -2.91 -4.06 -0.239 0.10159E+05 178 topaz-H -5.12 -8.66 -3.55 -0.322 0.88802E+04 179 tridymite -1.92 -2.10 -0.18 -0.059 0.44063E+03 180 tremolite 24.42 22.29 -2.14 -0.058 0.53527E+04 182 troilite-low -6.28 -7.22 -0.94 -0.313 0.23521E+04 186 wadsleyite-Fe 7.42 3.34 -4.08 -0.583 0.10209E+05 188 wairakite -6.92 -7.86 -0.94 -0.055 0.23418E+04 189 walstromite 7.15 5.00 -2.15 -0.431 0.53949E+04 190 wollastonite 6.46 5.00 -1.46 -0.291 0.36464E+04 191 pseudo-wollastonite 6.75 5.00 -1.75 -0.349 0.43722E+04 192 zoisite 0.41 -1.95 -2.36 -0.107 0.59048E+04 193 beidellite-Ca -11.52 -14.18 -2.65 -0.164 0.66425E+04 194 beidellite-H -11.79 -15.35 -3.55 -0.227 0.88985E+04 195 beidellite-K -10.84 -14.10 -3.26 -0.200 0.81708E+04 196 beidellite-Mg -11.77 -14.53 -2.75 -0.170 0.68939E+04 197 beidellite-Na -10.80 -13.81 -3.02 -0.185 0.75532E+04 200 chalcedony -1.96 -2.10 -0.13 -0.045 0.33663E+03 201 chalcocite -19.56 -21.16 -1.59 -0.398 0.39900E+04 202 covellite -14.96 -17.03 -2.08 -0.791 0.51984E+04 204 montmorillonite-Ca -9.38 -11.06 -1.68 -0.104 0.42040E+04 205 montmorillonite-K -8.84 -10.99 -2.15 -0.132 0.53855E+04 206 montmorillonite-Mg -9.65 -11.41 -1.76 -0.109 0.44078E+04 207 montmorillonite-Na -8.69 -10.70 -2.01 -0.123 0.50270E+04 209 nontronite-Ca -2.20 -5.13 -2.94 -0.191 0.73534E+04 210 nontronite-H -2.47 -6.30 -3.83 -0.257 0.95968E+04 211 nontronite-K -1.51 -5.06 -3.55 -0.228 0.88792E+04 212 nontronite-Mg -2.44 -5.48 -3.04 -0.197 0.76123E+04 213 nontronite-Na -1.47 -4.77 -3.30 -0.212 0.82643E+04 215 topaz -25.20 -29.11 -3.91 -0.435 0.97911E+04 229 tobermorite 7.92 3.81 -4.11 -1.121 0.10288E+05 235 alabandite -3.58 -8.01 -4.43 -1.475 0.11082E+05 240 boehmite -1.41 -3.28 -1.87 -0.311 0.46772E+04 245 copper,native -0.71 -4.12 -3.42 -1.188 0.85548E+04 246 dolomite,disordered -4.55 -6.38 -1.83 -0.305 0.45781E+04 247 ferrous-oxide 4.92 2.72 -2.20 -0.549 0.54957E+04 248 fluorite -12.05 -13.36 -1.31 -0.435 0.32710E+04 249 galena -10.07 -11.18 -1.11 -0.371 0.27883E+04 257 silica-amorphous -1.63 -2.10 -0.46 -0.154 0.11599E+04 260 sphalerite -10.28 -12.21 -1.92 -0.641 0.48155E+04 261 wurtzite -9.04 -12.21 -3.17 -1.056 0.79309E+04 263 an20ab80 -4.00 -4.68 -0.68 -0.052 0.17059E+04 264 an25ab75 -3.91 -4.62 -0.70 -0.054 0.17608E+04 265 an30ab70 -3.82 -4.55 -0.73 -0.056 0.18309E+04 266 tr.625ac.25prg.125 20.05 18.72 -1.33 -0.036 0.33261E+04 271 FeS-amorphous -4.35 -7.22 -2.87 -0.956 0.71833E+04 Calculations done for 274.0000 Deg. C; 64.9836 bar Enthalpies: Pure water 5.1892 kcal/mole H2O,gas 11.8190 kcal/mole CO2,gas 3.9653 kcal/mole CH4,gas 4.0109 kcal/mole Current solution 283.3454 Gas 13.1851 kcal Total current enthalpy 296.5306 kcal Starting enthalpy 296.5306 kcal Temperature changed by -2.000 degrees to 272.000 degrees C. Solids and gases carried ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ Test file for CHIM-XPT. Boil Broadlands Water Water similar to Broadlands Well No. 2 CHIMRUN demo-2a ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ Number of loops used = 17 Loop limit = 200 Temperature = 272.00 C Pressure = 61.79 bar Mixer fraction = 0.0000000 Total current enthalpy = 296.5306 KCAL Water: Moles liquid = 0.5425E+02 kg liquid = 0.9774E+00 Moles total = 0.5551E+02 kg total = 0.1000E+01 Activity = 0.9989 Stoichiometric ionic strength = .6293368E-01 Osmotic coef. = 0.8741 True ionic strength = .3207608E-01 Chg. balance for total moles = 0.2402E-07 Max. difference allowed = 0.3072E-05 Log Log Log Species(n) Molality Molality Activity Activity Gamma Gamma 1 H+ 0.54624E-06 -6.2626 0.38152E-06 -6.4185 0.69844E+00 -0.1559 2 H2O 0.99894E+00 -0.0005 0.99894E+00 -0.0005 3 Cl- 0.29451E-01 -1.5309 0.20240E-01 -1.6938 0.68725E+00 -0.1629 4 SO4-- 0.48515E-08 -8.3141 0.12009E-08 -8.9205 0.24753E+00 -0.6064 5 HCO3- 0.19550E-02 -2.7089 0.13529E-02 -2.8687 0.69201E+00 -0.1599 6 HS- 0.40473E-03 -3.3928 0.27836E-03 -3.5554 0.68776E+00 -0.1626 7 H4SiO4 0.80135E-02 -2.0962 0.80135E-02 -2.0962 0.10000E+01 0.0000 8 Al+++ 0.76556E-21 -21.1160 0.32332E-22 -22.4904 0.42233E-01 -1.3744 9 Ca++ 0.10460E-04 -4.9805 0.25249E-05 -5.5978 0.24138E+00 -0.6173 10 Mg++ 0.79145E-07 -7.1016 0.18737E-07 -7.7273 0.23674E+00 -0.6257 11 Fe++ 0.37103E-09 -9.4306 0.88263E-10 -10.0542 0.23788E+00 -0.6236 12 K+ 0.37518E-02 -2.4258 0.26013E-02 -2.5848 0.69335E+00 -0.1590 13 Na+ 0.28266E-01 -1.5487 0.19436E-01 -1.7114 0.68760E+00 -0.1627 14 Mn++ 0.76036E-10 -10.1190 0.18152E-10 -10.7411 0.23873E+00 -0.6221 15 Zn++ 0.42869E-14 -14.3679 0.10198E-14 -14.9915 0.23788E+00 -0.6236 16 Cu+ 0.13361E-11 -11.8742 0.91849E-12 -12.0369 0.68743E+00 -0.1628 17 Pb++ 0.42695E-13 -13.3696 0.10428E-13 -13.9818 0.24425E+00 -0.6122 18 Hg++ 0.67889E-32 -32.1682 0.16490E-32 -32.7828 0.24289E+00 -0.6146 19 F- 0.20786E-03 -3.6822 0.14099E-03 -3.8508 0.67830E+00 -0.1686 21 HSiO3- 0.19288E-04 -4.7147 0.13256E-04 -4.8776 0.68725E+00 -0.1629 22 Ca(HSiO3)+ 0.67135E-07 -7.1731 0.46589E-07 -7.3317 0.69396E+00 -0.1587 23 Mg(HSiO3)+ 0.31991E-09 -9.4950 0.22201E-09 -9.6536 0.69396E+00 -0.1587 24 NaHSiO3,aq 0.44923E-05 -5.3475 0.44923E-05 -5.3475 0.10000E+01 0.0000 27 HAlO2,aq 0.11321E-07 -7.9461 0.11321E-07 -7.9461 0.10000E+01 0.0000 28 AlO2- 0.20857E-05 -5.6807 0.14177E-05 -5.8484 0.67972E+00 -0.1677 29 CH4,aq 0.46573E-03 -3.3319 0.45758E-03 -3.3395 0.98251E+00 -0.0077 30 C2H6,aq 0.23896E-09 -9.6217 0.23478E-09 -9.6293 0.98251E+00 -0.0077 34 CO,aq 0.51581E-06 -6.2875 0.51581E-06 -6.2875 0.10000E+01 0.0000 35 CO2,aq 0.55263E-01 -1.2576 0.54296E-01 -1.2652 0.98251E+00 -0.0077 36 CO3-2 0.11334E-06 -6.9456 0.27826E-07 -7.5556 0.24551E+00 -0.6099 37 CaCO3,aq 0.40502E-06 -6.3925 0.40502E-06 -6.3925 0.10000E+01 0.0000 38 Ca(HCO3)+ 0.11255E-04 -4.9487 0.78104E-05 -5.1073 0.69396E+00 -0.1587 39 CaCl+ 0.11683E-04 -4.9325 0.81073E-05 -5.0911 0.69396E+00 -0.1587 40 CaCl2,aq 0.21926E-06 -6.6590 0.21926E-06 -6.6590 0.10000E+01 0.0000 41 CaF+ 0.87609E-06 -6.0574 0.60798E-06 -6.2161 0.69396E+00 -0.1587 42 CaOH+ 0.14740E-05 -5.8315 0.10229E-05 -5.9902 0.69396E+00 -0.1587 43 CaSO4,aq 0.10796E-09 -9.9667 0.10796E-09 -9.9667 0.10000E+01 0.0000 44 HCl,aq 0.38094E-07 -7.4191 0.38094E-07 -7.4191 0.10000E+01 0.0000 53 CuCl,aq 0.23887E-09 -9.6218 0.23887E-09 -9.6218 0.10000E+01 0.0000 54 CuCl2- 0.16201E-09 -9.7905 0.11134E-09 -9.9533 0.68725E+00 -0.1629 61 HF,aq 0.28498E-04 -4.5452 0.28498E-04 -4.5452 0.10000E+01 0.0000 62 HF2- 0.16978E-08 -8.7701 0.11668E-08 -8.9330 0.68725E+00 -0.1629 64 FeCl+ 0.25239E-09 -9.5979 0.17515E-09 -9.7566 0.69396E+00 -0.1587 65 FeCl2,aq 0.32749E-10 -10.4848 0.32749E-10 -10.4848 0.10000E+01 0.0000 67 FeF+ 0.38475E-10 -10.4148 0.26701E-10 -10.5735 0.69396E+00 -0.1587 69 FeO,aq 0.24297E-08 -8.6144 0.24297E-08 -8.6144 0.10000E+01 0.0000 70 FeOH+ 0.25084E-08 -8.6006 0.17407E-08 -8.7593 0.69396E+00 -0.1587 71 HFeO2- 0.31759E-09 -9.4981 0.21826E-09 -9.6610 0.68725E+00 -0.1629 74 FeO2- 0.30141E-09 -9.5208 0.20715E-09 -9.6837 0.68725E+00 -0.1629 75 HFeO2,aq 0.16510E-09 -9.7823 0.16510E-09 -9.7823 0.10000E+01 0.0000 76 H2,aq 0.22299E-03 -3.6517 0.21909E-03 -3.6594 0.98251E+00 -0.0077 77 Hg,aq 0.11789E-08 -8.9285 0.11583E-08 -8.9362 0.98251E+00 -0.0077 90 KCl,aq 0.49694E-04 -4.3037 0.49694E-04 -4.3037 0.10000E+01 0.0000 92 KOH,aq 0.25533E-06 -6.5929 0.25533E-06 -6.5929 0.10000E+01 0.0000 93 KSO4- 0.22107E-08 -8.6555 0.15193E-08 -8.8184 0.68725E+00 -0.1629 94 MgCO3,aq 0.30549E-09 -9.5150 0.30549E-09 -9.5150 0.10000E+01 0.0000 95 Mg(HCO3)+ 0.73103E-07 -7.1361 0.50731E-07 -7.2947 0.69396E+00 -0.1587 96 MgCl+ 0.38187E-07 -7.4181 0.26500E-07 -7.5767 0.69396E+00 -0.1587 97 MgF+ 0.16955E-07 -7.7707 0.11766E-07 -7.9294 0.69396E+00 -0.1587 98 MgOH+ 0.32990E-07 -7.4816 0.22894E-07 -7.6403 0.69396E+00 -0.1587 101 MnO,aq 0.14276E-10 -10.8454 0.14276E-10 -10.8454 0.10000E+01 0.0000 102 MnOH+ 0.78846E-10 -10.1032 0.54717E-10 -10.2619 0.69396E+00 -0.1587 107 MnCl+ 0.12178E-08 -8.9144 0.84511E-09 -9.0731 0.69396E+00 -0.1587 109 NaCl,aq 0.19187E-02 -2.7170 0.19187E-02 -2.7170 0.10000E+01 0.0000 110 NaF,aq 0.11380E-04 -4.9439 0.11380E-04 -4.9439 0.10000E+01 0.0000 111 NaOH,aq 0.11936E-05 -5.9231 0.11936E-05 -5.9231 0.10000E+01 0.0000 113 OH- 0.24763E-04 -4.6062 0.16832E-04 -4.7739 0.67972E+00 -0.1677 124 Pb(HS)2,aq 0.11035E-07 -7.9572 0.11035E-07 -7.9572 0.10000E+01 0.0000 125 Pb(HS)3- 0.23070E-09 -9.6370 0.15855E-09 -9.7998 0.68725E+00 -0.1629 126 H2S,aq 0.31203E-02 -2.5058 0.30657E-02 -2.5135 0.98251E+00 -0.0077 127 S2-2 0.91934E-10 -10.0365 0.22570E-10 -10.6465 0.24551E+00 -0.6099 134 HSO3- 0.20867E-10 -10.6805 0.14341E-10 -10.8434 0.68725E+00 -0.1629 135 HSO4- 0.29127E-09 -9.5357 0.20277E-09 -9.6930 0.69615E+00 -0.1573 149 ZnCl+ 0.10119E-10 -10.9948 0.70225E-11 -11.1535 0.69396E+00 -0.1587 154 ZnOH+ 0.47389E-10 -10.3243 0.32887E-10 -10.4830 0.69396E+00 -0.1587 158 AlF2+ 0.49272E-09 -9.3074 0.34193E-09 -9.4661 0.69396E+00 -0.1587 159 AlF3,aq 0.66666E-07 -7.1761 0.66666E-07 -7.1761 0.10000E+01 0.0000 160 AlF4- 0.13922E-06 -6.8563 0.95678E-07 -7.0192 0.68725E+00 -0.1629 161 AlF5-- 0.24892E-08 -8.6039 0.61112E-09 -9.2139 0.24551E+00 -0.6099 164 Cu(HS)2- 0.61850E-07 -7.2087 0.42507E-07 -7.3715 0.68725E+00 -0.1629 165 CuH4S3-a 0.30737E-10 -10.5123 0.21124E-10 -10.6752 0.68725E+00 -0.1629 166 CuH4S3-b 0.45988E-10 -10.3374 0.31605E-10 -10.5002 0.68725E+00 -0.1629 177 HgH4S3,aq 0.16600E-10 -10.7799 0.16600E-10 -10.7799 0.10000E+01 0.0000 180 MnCl2,aq 0.12390E-08 -8.9069 0.12390E-08 -8.9069 0.10000E+01 0.0000 181 MnCl3- 0.16740E-09 -9.7762 0.11505E-09 -9.9391 0.68725E+00 -0.1629 183 NaCO3- 0.37218E-07 -7.4292 0.25578E-07 -7.5921 0.68725E+00 -0.1629 184 NaHCO3,aq 0.97186E-04 -4.0124 0.97186E-04 -4.0124 0.10000E+01 0.0000 185 NaHS,aq 0.19996E-04 -4.6990 0.19996E-04 -4.6990 0.10000E+01 0.0000 186 NaSO4- 0.29582E-08 -8.5290 0.20330E-08 -8.6919 0.68725E+00 -0.1629 187 PbCO3,aq 0.20526E-10 -10.6877 0.20526E-10 -10.6877 0.10000E+01 0.0000 188 PbOH+ 0.29169E-10 -10.5351 0.20242E-10 -10.6937 0.69396E+00 -0.1587 189 PbH4S3,aq 0.35426E-10 -10.4507 0.35426E-10 -10.4507 0.10000E+01 0.0000 193 Zn(HS)2,aq 0.15444E-07 -7.8112 0.15444E-07 -7.8112 0.10000E+01 0.0000 194 Zn(HS)3- 0.15016E-09 -9.8234 0.10320E-09 -9.9863 0.68725E+00 -0.1629 Charge balance for all species = 0.2458E-07 Component Molality Aq.molality ppm log[A(N)/A(H+)**Z] (total) 1 H+ 0.5462409E-06 0.5829635E-01 0.5844228E+02 0.0000 2 H2O 0.1000000E+01 0.5545368E+02 0.9936262E+06 0.0000 3 Cl- 0.2945121E-01 0.3143177E-01 0.1108340E+04 4.7247 4 SO4-- 0.4851508E-08 -.5215912E-03 -.4983462E+02 3.9165 5 HCO3- 0.1954981E-02 0.5779316E-01 0.3507356E+04 3.5497 6 HS- 0.4047323E-03 0.4066780E-02 0.1337711E+03 2.8631 7 H4SiO4 0.8013461E-02 0.8037309E-02 0.7683423E+03 -2.0962 8 Al+++ 0.7655643E-21 0.2305885E-05 0.6188065E-01 -3.2349 9 Ca++ 0.1045994E-04 0.3643897E-04 0.1452524E+01 7.2392 10 Mg++ 0.7914466E-07 0.2410066E-06 0.5827748E-02 5.1097 11 Fe++ 0.3710330E-09 0.6417290E-08 0.3564533E-03 2.7828 12 K+ 0.3751819E-02 0.3801771E-02 0.1478550E+03 3.8337 13 Na+ 0.2826647E-01 0.3031943E-01 0.6932778E+03 4.7071 14 Mn++ 0.7603571E-10 0.2803903E-08 0.1532100E-03 2.0959 15 Zn++ 0.4286936E-14 0.1565441E-07 0.1017809E-02 -2.1545 16 Cu+ 0.1336122E-11 0.6232966E-07 0.3939065E-02 -5.6184 17 Pb++ 0.4269472E-13 0.1135712E-07 0.2340390E-02 -1.1448 18 Hg++ 0.6788932E-32 0.1198886E-08 0.2391874E-03 -19.9458 19 F- 0.2078630E-03 0.2494083E-03 0.4712701E+01 2.5677 Component Tot moles Aq. moles Solid moles Gas moles 1 H+ 0.1822172E+00 0.5697653E-01 -.1382296E-08 0.1252407E+00 2 H2O 0.5550825E+02 0.5419822E+02 -.8726838E-09 0.1310030E+01 3 Cl- 0.3072017E-01 0.3072017E-01 0.0000000E+00 0.1725017E-08 4 SO4-- -.4257700E-02 -.5097824E-03 0.2181710E-09 -.3747918E-02 5 HCO3- 0.1832100E+00 0.5648473E-01 0.0000000E+00 0.1267253E+00 6 HS- 0.9985820E-02 0.3974709E-02 0.3127663E-08 0.6011107E-02 7 H4SiO4 0.7855346E-02 0.7855346E-02 0.0000000E+00 0.0000000E+00 8 Al+++ 0.2253680E-05 0.2253680E-05 0.0000000E+00 0.0000000E+00 9 Ca++ 0.3561400E-04 0.3561400E-04 0.0000000E+00 0.0000000E+00 10 Mg++ 0.2355503E-06 0.2355503E-06 0.0000000E+00 0.0000000E+00 11 Fe++ 0.8017372E-08 0.6272004E-08 0.1745368E-08 0.0000000E+00 12 K+ 0.3715700E-02 0.3715700E-02 0.0000000E+00 0.0000000E+00 13 Na+ 0.2963300E-01 0.2963300E-01 0.0000000E+00 0.0000000E+00 14 Mn++ 0.2740424E-08 0.2740424E-08 0.0000000E+00 0.0000000E+00 15 Zn++ 0.1530000E-07 0.1530000E-07 0.0000000E+00 0.0000000E+00 16 Cu+ 0.6237410E-07 0.6091853E-07 0.1455566E-08 0.0000000E+00 17 Pb++ 0.1110000E-07 0.1110000E-07 0.0000000E+00 0.0000000E+00 18 Hg++ 0.4000000E-08 0.1171743E-08 0.0000000E+00 0.2828257E-08 19 F- 0.2439100E-03 0.2437617E-03 0.0000000E+00 0.1482685E-06 Chg. balance for solid moles: 0.2925E-16 Mass of aqueous solution: 0.982661E+03 g Temperature = 272.00 C Pressure = 61.79 bar Mixer frac. = 0.0000000 Log Log Vol Gas or mineral Moles Moles Grams Grams Wt.% (cm3) H2O,gas 1.428 0.155 25.72 1.410 82.21 790.6 CO2,gas 0.1234 -0.909 5.432 0.735 17.36 98.42 CH4,gas 0.3300E-02 -2.481 0.5293E-01 -1.276 0.1692 2.941 H2,gas 0.1788E-02 -2.748 0.3612E-02 -2.442 0.1154E-01 1.341 H2S,gas 0.2263E-02 -2.645 0.7713E-01 -1.113 0.2465 1.542 CO,gas 0.3033E-05 -5.518 0.8496E-04 -4.071 0.2715E-03 0.2225E-02 SO2,gas 0.2646E-12 -12.577 0.1695E-10 -10.771 0.5418E-10 0.1941E-09 HF,gas 0.1483E-06 -6.829 0.2965E-05 -5.528 0.9477E-05 0.1088E-03 HCl,gas 0.1725E-08 -8.763 0.6289E-07 -7.201 0.2010E-06 0.1265E-05 Hg,gas 0.2828E-08 -8.548 0.5673E-06 -6.246 0.1813E-05 0.2075E-05 bornite -.7245E-10 1.000 -.3636E-07 1.000 -12.23 -.7152E-08 chalcopyrite 0.1818E-08 -8.740 0.3336E-06 -6.477 112.2 0.7786E-07 Partial press. Fugacity coef Log fugacity Gas or Mineral Mole fraction or activity Activity coef Log activity H2O,gas 0.9161E+00 0.5661E+02 0.8126 1.663 CO2,gas 0.7916E-01 0.4891E+01 0.9741 0.678 CH4,gas 0.2117E-02 0.1308E+00 1.1772 -0.813 H2,gas 0.1147E-02 0.7086E-01 1.0226 -1.140 H2S,gas 0.1452E-02 0.8969E-01 0.9277 -1.080 CO,gas 0.1945E-05 0.1202E-03 1.0000 -3.920 SO2,gas 0.1697E-12 0.1049E-10 1.0000 -10.979 HF,gas 0.9510E-07 0.5876E-05 1.0000 -5.231 HCl,gas 0.1106E-08 0.6836E-07 1.0000 -7.165 Hg,gas 0.1814E-08 0.1121E-06 1.0000 -6.950 bornite 0.1000E+01 0.1000E+01 1.0000 0.000 chalcopyrite 0.1000E+01 0.1000E+01 1.0000 0.000 Current weight percent of gas: 3.085993 % Solid products produced: Mass = 0.000000 g Volume = 0.000000 cm3 WARNING: mineral volume may be in error because some mineral densities were not supplied in SOLTHERM. See mineral list in file Skip_Species.txt. NON-Ideal mixing with H2O, CO2, CH4 Gases ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ The following gases and minerals are presently in matrix or were just added Gas or Mineral Log K Log Q Log(Q/K) Log(Q/K)/S Affinity Log Fugacity 1 H2O,gas 0.13 0.13 -0.00 -0.000 0.70158E-09 2 CO2,gas -8.17 -8.17 0.00 0.000 -0.28359E-09 3 CH4,gas 5.10 5.10 0.00 0.000 -0.67132E-09 4 H2,gas 5.88 5.88 0.00 0.000 -0.64252E-10 5 H2S,gas -7.10 -7.10 -0.00 -0.000 0.20605E-09 6 CO,gas -0.63 -0.63 -0.00 -0.000 0.49850E-11 7 SO2,gas -6.04 -6.04 -0.00 -0.000 0.22156E-11 8 HF,gas -3.25 -3.25 -0.00 -0.000 0.22156E-11 9 HCl,gas 0.84 0.84 0.00 0.000 -0.11078E-11 10 Hg,gas -8.26 -8.26 0.00 0.000 -0.88623E-11 242 chalcopyrite -24.26 -24.26 0.00 0.000 0.00000E+00 The following gases and minerals are presently EXCLUDED from matrix (Gases and minerals with log(Q/K) less than -5 are not listed below) Gas or Mineral Log K Log Q Log(Q/K) Log(Q/K)/S Affinity Log Fugacity 11 acmite 4.60 1.83 -2.78 -0.288 0.69235E+04 15 albite-high -3.73 -4.81 -1.08 -0.083 0.26987E+04 16 albite -4.19 -4.81 -0.62 -0.048 0.15532E+04 20 analcite -1.34 -2.72 -1.38 -0.153 0.34338E+04 21 andalusite -6.03 -8.57 -2.54 -0.254 0.63286E+04 22 andradite 21.58 18.05 -3.53 -0.184 0.88156E+04 23 grossular 11.76 8.96 -2.80 -0.140 0.69817E+04 25 ankerite -6.73 -8.55 -1.82 -0.303 0.45408E+04 26 annite 6.04 2.66 -3.38 -0.188 0.84350E+04 27 phlogopite 11.18 9.64 -1.54 -0.085 0.38350E+04 29 anorthite -1.85 -3.42 -1.58 -0.121 0.39360E+04 32 aragonite -1.51 -2.05 -0.53 -0.178 0.13328E+04 33 brucite 7.81 5.11 -2.71 -0.541 0.67480E+04 34 calcite -1.66 -2.05 -0.38 -0.128 0.95793E+03 35 carnegieite-low 2.43 -0.62 -3.06 -0.437 0.76279E+04 36 carnegieite-high 2.91 -0.62 -3.54 -0.505 0.88246E+04 37 carpholite-Mg -3.39 -5.55 -2.17 -0.145 0.54086E+04 38 carpholite-Fe -4.79 -7.88 -3.09 -0.206 0.77172E+04 39 celadonite -0.29 -2.67 -2.38 -0.140 0.59415E+04 40 celadonite-Fe -1.56 -5.00 -3.44 -0.202 0.85746E+04 41 chrysotile 13.41 11.14 -2.27 -0.189 0.56649E+04 43 clinochlore 13.00 12.79 -0.21 -0.007 0.52943E+03 44 daphnite 5.49 1.15 -4.34 -0.136 0.10827E+05 46 chlorite-Al-free 26.57 22.27 -4.30 -0.179 0.10723E+05 47 chloritoid-Mg -0.95 -3.46 -2.51 -0.167 0.62669E+04 48 chloritoid-Fe -3.64 -5.78 -2.15 -0.143 0.53514E+04 51 coesite -1.65 -2.10 -0.44 -0.147 0.11001E+04 56 corundum -3.66 -6.47 -2.81 -0.256 0.70190E+04 58 cristobalite -1.90 -2.10 -0.19 -0.063 0.47495E+03 61 cymrite-K -2.17 -5.69 -3.52 -0.294 0.87881E+04 63 diaspore -2.15 -3.24 -1.09 -0.181 0.27145E+04 64 diamond -1.79 -3.39 -1.61 -0.460 0.40147E+04 65 diopside 8.92 8.16 -0.77 -0.077 0.19126E+04 66 hedenbergite 7.43 5.83 -1.59 -0.159 0.39781E+04 67 dolomite,ordered -4.76 -6.23 -1.47 -0.245 0.36645E+04 68 eastonite 4.23 0.15 -4.08 -0.157 0.10166E+05 69 enstatite 8.67 6.03 -2.64 -0.264 0.65784E+04 70 clinoenstatite-HiP 9.42 6.03 -3.40 -0.340 0.84715E+04 71 clinoenstatite 8.60 6.03 -2.57 -0.257 0.64231E+04 72 protoenstatite 8.97 6.03 -2.95 -0.295 0.73488E+04 73 epidote 4.83 3.03 -1.80 -0.087 0.45008E+04 74 clinozoisite 0.59 -1.52 -2.11 -0.096 0.52586E+04 75 epidote-Fe 11.42 7.57 -3.84 -0.200 0.95807E+04 76 fayalite 6.29 3.47 -2.83 -0.404 0.70475E+04 77 ferrosilite 4.31 1.37 -2.94 -0.294 0.73237E+04 78 forsterite 11.24 8.12 -3.12 -0.445 0.77714E+04 81 gibbsite -0.75 -3.24 -2.48 -0.355 0.61903E+04 82 glaucophane 5.35 1.51 -3.84 -0.104 0.95760E+04 84 goethite 3.05 1.31 -1.74 -0.376 0.43437E+04 85 graphite -2.16 -3.39 -1.24 -0.353 0.30847E+04 86 greenalite 7.76 4.16 -3.61 -0.301 0.89987E+04 88 halite 0.75 -3.41 -4.16 -2.078 0.10365E+05 89 hematite 5.14 2.62 -2.52 -0.306 0.62873E+04 90 heulandite -12.87 -13.90 -1.03 -0.047 0.25709E+04 91 hercynite 0.67 -3.69 -4.36 -0.291 0.10874E+05 94 jadeite -0.47 -2.72 -2.25 -0.225 0.56101E+04 96 kalsilite 1.64 -1.50 -3.14 -0.449 0.78324E+04 97 kaolinite -8.61 -10.66 -2.05 -0.187 0.51243E+04 98 kyanite -5.96 -8.57 -2.60 -0.260 0.64982E+04 100 laumontite -6.25 -7.62 -1.36 -0.091 0.33974E+04 101 lawsonite -1.61 -3.42 -1.82 -0.121 0.45301E+04 102 leucite -1.09 -3.59 -2.51 -0.251 0.62511E+04 104 lizardite 13.19 11.14 -2.05 -0.171 0.51148E+04 105 magnesite -2.47 -4.18 -1.70 -0.568 0.42509E+04 106 magnetite 8.59 5.40 -3.19 -0.260 0.79452E+04 107 minnesotaite 2.99 -0.03 -3.03 -0.178 0.75497E+04 108 minnesotaite-Mg 10.32 6.95 -3.37 -0.198 0.84125E+04 112 margarite -6.88 -9.89 -3.01 -0.120 0.75121E+04 115 microcline -5.26 -5.69 -0.43 -0.033 0.10628E+04 116 monticellite 14.44 10.25 -4.19 -0.598 0.10447E+05 118 mullite-Si -4.63 -8.57 -3.94 -0.394 0.98315E+04 119 muscovite -10.27 -12.16 -1.89 -0.111 0.47193E+04 120 paragonite -9.36 -11.29 -1.93 -0.114 0.48142E+04 121 nepheline 1.94 -0.62 -2.56 -0.366 0.63837E+04 126 periclase 9.50 5.11 -4.39 -1.099 0.10961E+05 127 periclase-Fe 6.26 2.78 -3.48 -0.870 0.86785E+04 133 phlogopite-Na 12.59 10.51 -2.08 -0.116 0.51917E+04 135 prehnite 3.29 1.72 -1.57 -0.092 0.39226E+04 136 prehnite-Fe 8.25 6.27 -1.99 -0.120 0.49562E+04 137 pumpellyite-Fe 7.62 2.99 -4.63 -0.103 0.11551E+05 138 pumpellyite-Mg 9.55 5.31 -4.24 -0.094 0.10581E+05 140 px-Ca-tschermaks 2.65 -1.33 -3.98 -0.284 0.99217E+04 141 pyrite -19.76 -20.11 -0.35 -0.083 0.88056E+03 142 pyrrhotite -6.24 -7.19 -0.95 -0.318 0.23764E+04 143 pyrrhotiteFe0.875 -7.33 -7.90 -0.58 -0.212 0.14392E+04 144 pyroxmangite 4.05 0.00 -4.05 -0.809 0.10095E+05 145 pyrophyllite -12.81 -14.85 -2.04 -0.128 0.50899E+04 146 quartz -2.10 -2.10 0.00 0.001 -0.54959E+01 148 riebeckite 8.61 3.62 -4.99 -0.138 0.12453E+05 149 ringwoodite-Fe 7.47 3.47 -4.00 -0.572 0.99806E+04 151 rhodochrosite -3.03 -7.19 -4.16 -1.387 0.10376E+05 152 rhodonite 4.06 0.00 -4.06 -0.812 0.10126E+05 153 sanidine -4.43 -5.69 -1.25 -0.096 0.31293E+04 155 siderite -4.80 -6.50 -1.71 -0.569 0.42610E+04 156 sillimanite -5.89 -8.57 -2.67 -0.267 0.66641E+04 158 spinel 3.28 -1.36 -4.65 -0.310 0.11589E+05 163 stilbite -11.48 -13.90 -2.42 -0.115 0.60449E+04 164 stilpnomelane-Fe -3.87 -7.41 -3.53 -0.105 0.88147E+04 165 stilpnomelane-Mg 5.42 4.23 -1.20 -0.036 0.29813E+04 166 stishovite 2.09 -2.10 -4.18 -1.395 0.10438E+05 168 sudoite -4.62 -9.01 -4.40 -0.142 0.10964E+05 169 sulfur -8.92 -12.92 -4.00 -1.230 0.99748E+04 171 talc 7.58 6.95 -0.64 -0.038 0.15920E+04 173 talc-tschermaks 1.31 -2.54 -3.85 -0.227 0.96090E+04 178 topaz-H -5.02 -8.57 -3.54 -0.322 0.88405E+04 179 tridymite -1.93 -2.10 -0.17 -0.056 0.41974E+03 180 tremolite 24.63 23.26 -1.37 -0.037 0.34201E+04 182 troilite-low -6.25 -7.19 -0.94 -0.313 0.23450E+04 183 tschermakite 9.09 4.29 -4.80 -0.130 0.11963E+05 186 wadsleyite-Fe 7.49 3.47 -4.03 -0.575 0.10042E+05 188 wairakite -6.82 -7.61 -0.79 -0.047 0.19825E+04 189 walstromite 7.19 5.14 -2.05 -0.410 0.51102E+04 190 wollastonite 6.49 5.14 -1.35 -0.269 0.33611E+04 191 pseudo-wollastonite 6.78 5.14 -1.64 -0.328 0.40887E+04 192 zoisite 0.62 -1.52 -2.14 -0.097 0.53301E+04 193 beidellite-Ca -11.42 -14.03 -2.61 -0.161 0.65100E+04 194 beidellite-H -11.70 -15.23 -3.53 -0.225 0.88059E+04 195 beidellite-K -10.75 -13.96 -3.22 -0.197 0.80265E+04 196 beidellite-Mg -11.67 -14.39 -2.71 -0.168 0.67652E+04 197 beidellite-Na -10.70 -13.68 -2.97 -0.182 0.74121E+04 198 bornite -66.68 -66.68 0.00 0.000 0.00000E+00 200 chalcedony -1.97 -2.10 -0.13 -0.042 0.31340E+03 201 chalcocite -19.61 -21.21 -1.60 -0.399 0.39837E+04 202 covellite -14.98 -17.07 -2.09 -0.794 0.52020E+04 204 montmorillonite-Ca -9.31 -10.90 -1.59 -0.099 0.39783E+04 205 montmorillonite-K -8.77 -10.83 -2.07 -0.126 0.51519E+04 206 montmorillonite-Mg -9.58 -11.26 -1.68 -0.104 0.41859E+04 207 montmorillonite-Na -8.62 -10.55 -1.92 -0.118 0.47931E+04 209 nontronite-Ca -2.14 -4.94 -2.80 -0.182 0.69971E+04 210 nontronite-H -2.42 -6.14 -3.72 -0.249 0.92804E+04 211 nontronite-K -1.46 -4.87 -3.41 -0.219 0.85111E+04 212 nontronite-Mg -2.39 -5.30 -2.91 -0.189 0.72597E+04 213 nontronite-Na -1.42 -4.59 -3.17 -0.203 0.78996E+04 215 topaz -25.09 -29.10 -4.01 -0.446 0.10002E+05 229 tobermorite 7.94 3.93 -4.00 -1.093 0.99904E+04 235 alabandite -3.54 -7.88 -4.33 -1.445 0.10811E+05 240 boehmite -1.36 -3.24 -1.87 -0.312 0.46771E+04 245 copper,native -0.73 -4.15 -3.42 -1.189 0.85274E+04 246 dolomite,disordered -4.47 -6.23 -1.75 -0.292 0.43705E+04 247 ferrous-oxide 4.96 2.78 -2.18 -0.544 0.54284E+04 248 fluorite -12.00 -13.30 -1.29 -0.431 0.32288E+04 249 galena -10.07 -11.12 -1.05 -0.350 0.26177E+04 257 silica-amorphous -1.64 -2.10 -0.46 -0.153 0.11429E+04 260 sphalerite -10.27 -12.13 -1.86 -0.620 0.46388E+04 261 wurtzite -9.02 -12.13 -3.11 -1.036 0.77545E+04 263 an20ab80 -3.94 -4.54 -0.60 -0.046 0.14885E+04 264 an25ab75 -3.85 -4.47 -0.62 -0.047 0.15401E+04 265 an30ab70 -3.75 -4.40 -0.64 -0.050 0.16071E+04 266 tr.625ac.25prg.125 20.27 19.61 -0.66 -0.018 0.16496E+04 271 FeS-amorphous -4.33 -7.19 -2.86 -0.953 0.71314E+04 ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ Test file for CHIM-XPT. Boil Broadlands Water Water similar to Broadlands Well No. 2 CHIMRUN demo-2a ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ Number of loops used = 6 Loop limit = 200 Temperature = 272.00 C Pressure = 61.79 bar Mixer fraction = 0.0000000 Total current enthalpy = 296.5306 KCAL Water: Moles liquid = 0.5425E+02 kg liquid = 0.9774E+00 Moles total = 0.5551E+02 kg total = 0.1000E+01 Activity = 0.9989 Stoichiometric ionic strength = .6293368E-01 Osmotic coef. = 0.8741 True ionic strength = .3207608E-01 Chg. balance for total moles = 0.2402E-07 Max. difference allowed = 0.3072E-05 Log Log Log Species(n) Molality Molality Activity Activity Gamma Gamma 1 H+ 0.54624E-06 -6.2626 0.38152E-06 -6.4185 0.69844E+00 -0.1559 2 H2O 0.99894E+00 -0.0005 0.99894E+00 -0.0005 3 Cl- 0.29451E-01 -1.5309 0.20240E-01 -1.6938 0.68725E+00 -0.1629 4 SO4-- 0.48515E-08 -8.3141 0.12009E-08 -8.9205 0.24753E+00 -0.6064 5 HCO3- 0.19550E-02 -2.7089 0.13529E-02 -2.8687 0.69201E+00 -0.1599 6 HS- 0.40473E-03 -3.3928 0.27836E-03 -3.5554 0.68776E+00 -0.1626 7 H4SiO4 0.80135E-02 -2.0962 0.80135E-02 -2.0962 0.10000E+01 0.0000 8 Al+++ 0.76556E-21 -21.1160 0.32332E-22 -22.4904 0.42233E-01 -1.3744 9 Ca++ 0.10460E-04 -4.9805 0.25249E-05 -5.5978 0.24138E+00 -0.6173 10 Mg++ 0.79145E-07 -7.1016 0.18737E-07 -7.7273 0.23674E+00 -0.6257 11 Fe++ 0.37264E-09 -9.4287 0.88645E-10 -10.0523 0.23788E+00 -0.6236 12 K+ 0.37518E-02 -2.4258 0.26013E-02 -2.5848 0.69335E+00 -0.1590 13 Na+ 0.28266E-01 -1.5487 0.19436E-01 -1.7114 0.68760E+00 -0.1627 14 Mn++ 0.76036E-10 -10.1190 0.18152E-10 -10.7411 0.23873E+00 -0.6221 15 Zn++ 0.42869E-14 -14.3679 0.10198E-14 -14.9915 0.23788E+00 -0.6236 16 Cu+ 0.13304E-11 -11.8760 0.91453E-12 -12.0388 0.68743E+00 -0.1628 17 Pb++ 0.42695E-13 -13.3696 0.10428E-13 -13.9818 0.24425E+00 -0.6122 18 Hg++ 0.67889E-32 -32.1682 0.16490E-32 -32.7828 0.24289E+00 -0.6146 19 F- 0.20786E-03 -3.6822 0.14099E-03 -3.8508 0.67830E+00 -0.1686 21 HSiO3- 0.19288E-04 -4.7147 0.13256E-04 -4.8776 0.68725E+00 -0.1629 22 Ca(HSiO3)+ 0.67135E-07 -7.1731 0.46589E-07 -7.3317 0.69396E+00 -0.1587 23 Mg(HSiO3)+ 0.31991E-09 -9.4950 0.22201E-09 -9.6536 0.69396E+00 -0.1587 24 NaHSiO3,aq 0.44923E-05 -5.3475 0.44923E-05 -5.3475 0.10000E+01 0.0000 27 HAlO2,aq 0.11321E-07 -7.9461 0.11321E-07 -7.9461 0.10000E+01 0.0000 28 AlO2- 0.20857E-05 -5.6807 0.14177E-05 -5.8484 0.67972E+00 -0.1677 29 CH4,aq 0.46573E-03 -3.3319 0.45758E-03 -3.3395 0.98251E+00 -0.0077 30 C2H6,aq 0.23896E-09 -9.6217 0.23478E-09 -9.6293 0.98251E+00 -0.0077 34 CO,aq 0.51581E-06 -6.2875 0.51581E-06 -6.2875 0.10000E+01 0.0000 35 CO2,aq 0.55263E-01 -1.2576 0.54296E-01 -1.2652 0.98251E+00 -0.0077 36 CO3-2 0.11334E-06 -6.9456 0.27826E-07 -7.5556 0.24551E+00 -0.6099 37 CaCO3,aq 0.40502E-06 -6.3925 0.40502E-06 -6.3925 0.10000E+01 0.0000 38 Ca(HCO3)+ 0.11255E-04 -4.9487 0.78104E-05 -5.1073 0.69396E+00 -0.1587 39 CaCl+ 0.11683E-04 -4.9325 0.81073E-05 -5.0911 0.69396E+00 -0.1587 40 CaCl2,aq 0.21926E-06 -6.6590 0.21926E-06 -6.6590 0.10000E+01 0.0000 41 CaF+ 0.87609E-06 -6.0574 0.60798E-06 -6.2161 0.69396E+00 -0.1587 42 CaOH+ 0.14740E-05 -5.8315 0.10229E-05 -5.9902 0.69396E+00 -0.1587 43 CaSO4,aq 0.10796E-09 -9.9667 0.10796E-09 -9.9667 0.10000E+01 0.0000 44 HCl,aq 0.38094E-07 -7.4191 0.38094E-07 -7.4191 0.10000E+01 0.0000 53 CuCl,aq 0.23784E-09 -9.6237 0.23784E-09 -9.6237 0.10000E+01 0.0000 54 CuCl2- 0.16131E-09 -9.7923 0.11086E-09 -9.9552 0.68725E+00 -0.1629 61 HF,aq 0.28498E-04 -4.5452 0.28498E-04 -4.5452 0.10000E+01 0.0000 62 HF2- 0.16978E-08 -8.7701 0.11668E-08 -8.9330 0.68725E+00 -0.1629 64 FeCl+ 0.25349E-09 -9.5960 0.17591E-09 -9.7547 0.69396E+00 -0.1587 65 FeCl2,aq 0.32890E-10 -10.4829 0.32890E-10 -10.4829 0.10000E+01 0.0000 67 FeF+ 0.38642E-10 -10.4129 0.26816E-10 -10.5716 0.69396E+00 -0.1587 69 FeO,aq 0.24402E-08 -8.6126 0.24402E-08 -8.6126 0.10000E+01 0.0000 70 FeOH+ 0.25192E-08 -8.5987 0.17482E-08 -8.7574 0.69396E+00 -0.1587 71 HFeO2- 0.31896E-09 -9.4963 0.21921E-09 -9.6591 0.68725E+00 -0.1629 74 FeO2- 0.30272E-09 -9.5190 0.20804E-09 -9.6818 0.68725E+00 -0.1629 75 HFeO2,aq 0.16581E-09 -9.7804 0.16581E-09 -9.7804 0.10000E+01 0.0000 76 H2,aq 0.22299E-03 -3.6517 0.21909E-03 -3.6594 0.98251E+00 -0.0077 77 Hg,aq 0.11789E-08 -8.9285 0.11583E-08 -8.9362 0.98251E+00 -0.0077 90 KCl,aq 0.49694E-04 -4.3037 0.49694E-04 -4.3037 0.10000E+01 0.0000 92 KOH,aq 0.25533E-06 -6.5929 0.25533E-06 -6.5929 0.10000E+01 0.0000 93 KSO4- 0.22107E-08 -8.6555 0.15193E-08 -8.8184 0.68725E+00 -0.1629 94 MgCO3,aq 0.30549E-09 -9.5150 0.30549E-09 -9.5150 0.10000E+01 0.0000 95 Mg(HCO3)+ 0.73103E-07 -7.1361 0.50731E-07 -7.2947 0.69396E+00 -0.1587 96 MgCl+ 0.38187E-07 -7.4181 0.26500E-07 -7.5767 0.69396E+00 -0.1587 97 MgF+ 0.16955E-07 -7.7707 0.11766E-07 -7.9294 0.69396E+00 -0.1587 98 MgOH+ 0.32990E-07 -7.4816 0.22894E-07 -7.6403 0.69396E+00 -0.1587 101 MnO,aq 0.14276E-10 -10.8454 0.14276E-10 -10.8454 0.10000E+01 0.0000 102 MnOH+ 0.78846E-10 -10.1032 0.54717E-10 -10.2619 0.69396E+00 -0.1587 107 MnCl+ 0.12178E-08 -8.9144 0.84511E-09 -9.0731 0.69396E+00 -0.1587 109 NaCl,aq 0.19187E-02 -2.7170 0.19187E-02 -2.7170 0.10000E+01 0.0000 110 NaF,aq 0.11380E-04 -4.9439 0.11380E-04 -4.9439 0.10000E+01 0.0000 111 NaOH,aq 0.11936E-05 -5.9231 0.11936E-05 -5.9231 0.10000E+01 0.0000 113 OH- 0.24763E-04 -4.6062 0.16832E-04 -4.7739 0.67972E+00 -0.1677 124 Pb(HS)2,aq 0.11035E-07 -7.9572 0.11035E-07 -7.9572 0.10000E+01 0.0000 125 Pb(HS)3- 0.23070E-09 -9.6370 0.15855E-09 -9.7998 0.68725E+00 -0.1629 126 H2S,aq 0.31203E-02 -2.5058 0.30657E-02 -2.5135 0.98251E+00 -0.0077 127 S2-2 0.91934E-10 -10.0365 0.22570E-10 -10.6465 0.24551E+00 -0.6099 134 HSO3- 0.20867E-10 -10.6805 0.14341E-10 -10.8434 0.68725E+00 -0.1629 135 HSO4- 0.29127E-09 -9.5357 0.20277E-09 -9.6930 0.69615E+00 -0.1573 149 ZnCl+ 0.10119E-10 -10.9948 0.70225E-11 -11.1535 0.69396E+00 -0.1587 154 ZnOH+ 0.47389E-10 -10.3243 0.32887E-10 -10.4830 0.69396E+00 -0.1587 158 AlF2+ 0.49272E-09 -9.3074 0.34193E-09 -9.4661 0.69396E+00 -0.1587 159 AlF3,aq 0.66666E-07 -7.1761 0.66666E-07 -7.1761 0.10000E+01 0.0000 160 AlF4- 0.13922E-06 -6.8563 0.95678E-07 -7.0192 0.68725E+00 -0.1629 161 AlF5-- 0.24892E-08 -8.6039 0.61112E-09 -9.2139 0.24551E+00 -0.6099 164 Cu(HS)2- 0.61584E-07 -7.2105 0.42323E-07 -7.3734 0.68725E+00 -0.1629 165 CuH4S3-a 0.30605E-10 -10.5142 0.21033E-10 -10.6771 0.68725E+00 -0.1629 166 CuH4S3-b 0.45790E-10 -10.3392 0.31469E-10 -10.5021 0.68725E+00 -0.1629 177 HgH4S3,aq 0.16600E-10 -10.7799 0.16600E-10 -10.7799 0.10000E+01 0.0000 180 MnCl2,aq 0.12390E-08 -8.9069 0.12390E-08 -8.9069 0.10000E+01 0.0000 181 MnCl3- 0.16740E-09 -9.7762 0.11505E-09 -9.9391 0.68725E+00 -0.1629 183 NaCO3- 0.37218E-07 -7.4292 0.25578E-07 -7.5921 0.68725E+00 -0.1629 184 NaHCO3,aq 0.97186E-04 -4.0124 0.97186E-04 -4.0124 0.10000E+01 0.0000 185 NaHS,aq 0.19996E-04 -4.6990 0.19996E-04 -4.6990 0.10000E+01 0.0000 186 NaSO4- 0.29582E-08 -8.5290 0.20330E-08 -8.6919 0.68725E+00 -0.1629 187 PbCO3,aq 0.20526E-10 -10.6877 0.20526E-10 -10.6877 0.10000E+01 0.0000 188 PbOH+ 0.29169E-10 -10.5351 0.20242E-10 -10.6937 0.69396E+00 -0.1587 189 PbH4S3,aq 0.35426E-10 -10.4507 0.35426E-10 -10.4507 0.10000E+01 0.0000 193 Zn(HS)2,aq 0.15444E-07 -7.8112 0.15444E-07 -7.8112 0.10000E+01 0.0000 194 Zn(HS)3- 0.15016E-09 -9.8234 0.10320E-09 -9.9863 0.68725E+00 -0.1629 Charge balance for all species = 0.2458E-07 Component Molality Aq.molality ppm log[A(N)/A(H+)**Z] (total) 1 H+ 0.5462408E-06 0.5829635E-01 0.5844228E+02 0.0000 2 H2O 0.1000000E+01 0.5545368E+02 0.9936262E+06 0.0000 3 Cl- 0.2945121E-01 0.3143177E-01 0.1108340E+04 4.7247 4 SO4-- 0.4851509E-08 -.5215912E-03 -.4983462E+02 3.9165 5 HCO3- 0.1954981E-02 0.5779316E-01 0.3507356E+04 3.5497 6 HS- 0.4047324E-03 0.4066780E-02 0.1337711E+03 2.8631 7 H4SiO4 0.8013461E-02 0.8037309E-02 0.7683423E+03 -2.0962 8 Al+++ 0.7655640E-21 0.2305885E-05 0.6188065E-01 -3.2349 9 Ca++ 0.1045994E-04 0.3643897E-04 0.1452524E+01 7.2392 10 Mg++ 0.7914465E-07 0.2410066E-06 0.5827748E-02 5.1097 11 Fe++ 0.3726395E-09 0.6445078E-08 0.3579968E-03 2.7846 12 K+ 0.3751819E-02 0.3801771E-02 0.1478550E+03 3.8337 13 Na+ 0.2826647E-01 0.3031943E-01 0.6932778E+03 4.7071 14 Mn++ 0.7603571E-10 0.2803903E-08 0.1532100E-03 2.0959 15 Zn++ 0.4286935E-14 0.1565441E-07 0.1017809E-02 -2.1545 16 Cu+ 0.1330361E-11 0.6206094E-07 0.3922082E-02 -5.6203 17 Pb++ 0.4269471E-13 0.1135712E-07 0.2340390E-02 -1.1448 18 Hg++ 0.6788931E-32 0.1198886E-08 0.2391874E-03 -19.9458 19 F- 0.2078630E-03 0.2494083E-03 0.4712701E+01 2.5677 Component Tot moles Aq. moles Solid moles Gas moles 1 H+ 0.1822172E+00 0.5697653E-01 -.1503433E-08 0.1252407E+00 2 H2O 0.5550825E+02 0.5419822E+02 -.8591046E-09 0.1310030E+01 3 Cl- 0.3072017E-01 0.3072017E-01 0.0000000E+00 0.1725017E-08 4 SO4-- -.4257700E-02 -.5097824E-03 0.2147762E-09 -.3747918E-02 5 HCO3- 0.1832100E+00 0.5648473E-01 0.0000000E+00 0.1267253E+00 6 HS- 0.9985820E-02 0.3974709E-02 0.3221642E-08 0.6011107E-02 7 H4SiO4 0.7855346E-02 0.7855346E-02 0.0000000E+00 0.0000000E+00 8 Al+++ 0.2253680E-05 0.2253680E-05 0.0000000E+00 0.0000000E+00 9 Ca++ 0.3561400E-04 0.3561400E-04 0.0000000E+00 0.0000000E+00 10 Mg++ 0.2355503E-06 0.2355503E-06 0.0000000E+00 0.0000000E+00 11 Fe++ 0.8017372E-08 0.6299163E-08 0.1718209E-08 0.0000000E+00 12 K+ 0.3715700E-02 0.3715700E-02 0.0000000E+00 0.0000000E+00 13 Na+ 0.2963300E-01 0.2963300E-01 0.0000000E+00 0.0000000E+00 14 Mn++ 0.2740424E-08 0.2740424E-08 0.0000000E+00 0.0000000E+00 15 Zn++ 0.1530000E-07 0.1530000E-07 0.0000000E+00 0.0000000E+00 16 Cu+ 0.6237410E-07 0.6065589E-07 0.1718209E-08 0.0000000E+00 17 Pb++ 0.1110000E-07 0.1110000E-07 0.0000000E+00 0.0000000E+00 18 Hg++ 0.4000000E-08 0.1171743E-08 0.0000000E+00 0.2828257E-08 19 F- 0.2439100E-03 0.2437617E-03 0.0000000E+00 0.1482685E-06 Chg. balance for solid moles: 0.1102E-17 Mass of aqueous solution: 0.982661E+03 g Temperature = 272.00 C Pressure = 61.79 bar Mixer frac. = 0.0000000 Log Log Vol Gas or mineral Moles Moles Grams Grams Wt.% (cm3) H2O,gas 1.428 0.155 25.72 1.410 82.21 790.6 CO2,gas 0.1234 -0.909 5.432 0.735 17.36 98.42 CH4,gas 0.3300E-02 -2.481 0.5293E-01 -1.276 0.1692 2.941 H2,gas 0.1788E-02 -2.748 0.3612E-02 -2.442 0.1154E-01 1.341 H2S,gas 0.2263E-02 -2.645 0.7713E-01 -1.113 0.2465 1.542 CO,gas 0.3033E-05 -5.518 0.8496E-04 -4.071 0.2715E-03 0.2225E-02 SO2,gas 0.2646E-12 -12.577 0.1695E-10 -10.771 0.5418E-10 0.1941E-09 HF,gas 0.1483E-06 -6.829 0.2965E-05 -5.528 0.9477E-05 0.1088E-03 HCl,gas 0.1725E-08 -8.763 0.6289E-07 -7.201 0.2010E-06 0.1265E-05 Hg,gas 0.2828E-08 -8.548 0.5673E-06 -6.246 0.1813E-05 0.2075E-05 chalcopyrite 0.1718E-08 -8.765 0.3153E-06 -6.501 100.0 0.7360E-07 Partial press. Fugacity coef Log fugacity Gas or Mineral Mole fraction or activity Activity coef Log activity H2O,gas 0.9161E+00 0.5661E+02 0.8126 1.663 CO2,gas 0.7916E-01 0.4891E+01 0.9741 0.678 CH4,gas 0.2117E-02 0.1308E+00 1.1772 -0.813 H2,gas 0.1147E-02 0.7086E-01 1.0226 -1.140 H2S,gas 0.1452E-02 0.8969E-01 0.9277 -1.080 CO,gas 0.1945E-05 0.1202E-03 1.0000 -3.920 SO2,gas 0.1697E-12 0.1049E-10 1.0000 -10.979 HF,gas 0.9510E-07 0.5876E-05 1.0000 -5.231 HCl,gas 0.1106E-08 0.6836E-07 1.0000 -7.165 Hg,gas 0.1814E-08 0.1121E-06 1.0000 -6.950 chalcopyrite 0.1000E+01 0.1000E+01 1.0000 0.000 Current weight percent of gas: 3.085993 % Solid products produced: Mass = 0.000000 g Volume = 0.000000 cm3 WARNING: mineral volume may be in error because some mineral densities were not supplied in SOLTHERM. See mineral list in file Skip_Species.txt. NON-Ideal mixing with H2O, CO2, CH4 Gases ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ The following gases and minerals are presently in matrix or were just added Gas or Mineral Log K Log Q Log(Q/K) Log(Q/K)/S Affinity Log Fugacity 1 H2O,gas 0.13 0.13 -0.00 -0.000 0.11272E-09 2 CO2,gas -8.17 -8.17 0.00 0.000 -0.35449E-10 3 CH4,gas 5.10 5.10 0.00 0.000 -0.97485E-10 4 H2,gas 5.88 5.88 0.00 0.000 -0.13293E-10 5 H2S,gas -7.10 -7.10 -0.00 -0.000 0.31018E-10 6 CO,gas -0.63 -0.63 -0.00 -0.000 0.11078E-11 7 SO2,gas -6.04 -6.04 0.00 0.000 0.00000E+00 8 HF,gas -3.25 -3.25 0.00 0.000 -0.11078E-11 9 HCl,gas 0.84 0.84 -0.00 -0.000 0.16617E-11 10 Hg,gas -8.26 -8.26 -0.00 -0.000 0.88623E-11 242 chalcopyrite -24.26 -24.26 0.00 0.000 0.00000E+00 146 quartz -2.10 -2.10 0.00 0.001 -0.54959E+01 The following gases and minerals are presently EXCLUDED from matrix (Gases and minerals with log(Q/K) less than -5 are not listed below) Gas or Mineral Log K Log Q Log(Q/K) Log(Q/K)/S Affinity Log Fugacity 11 acmite 4.60 1.83 -2.77 -0.288 0.69188E+04 15 albite-high -3.73 -4.81 -1.08 -0.083 0.26987E+04 16 albite -4.19 -4.81 -0.62 -0.048 0.15532E+04 20 analcite -1.34 -2.72 -1.38 -0.153 0.34338E+04 21 andalusite -6.03 -8.57 -2.54 -0.254 0.63286E+04 22 andradite 21.58 18.05 -3.53 -0.183 0.88062E+04 23 grossular 11.76 8.96 -2.80 -0.140 0.69817E+04 25 ankerite -6.73 -8.55 -1.82 -0.303 0.45362E+04 26 annite 6.04 2.66 -3.38 -0.188 0.84209E+04 27 phlogopite 11.18 9.64 -1.54 -0.085 0.38350E+04 29 anorthite -1.85 -3.42 -1.58 -0.121 0.39360E+04 32 aragonite -1.51 -2.05 -0.53 -0.178 0.13328E+04 33 brucite 7.81 5.11 -2.71 -0.541 0.67480E+04 34 calcite -1.66 -2.05 -0.38 -0.128 0.95793E+03 35 carnegieite-low 2.43 -0.62 -3.06 -0.437 0.76279E+04 36 carnegieite-high 2.91 -0.62 -3.54 -0.505 0.88246E+04 37 carpholite-Mg -3.39 -5.55 -2.17 -0.145 0.54086E+04 38 carpholite-Fe -4.79 -7.88 -3.09 -0.206 0.77126E+04 39 celadonite -0.29 -2.67 -2.38 -0.140 0.59415E+04 40 celadonite-Fe -1.56 -5.00 -3.44 -0.202 0.85700E+04 41 chrysotile 13.41 11.14 -2.27 -0.189 0.56649E+04 43 clinochlore 13.00 12.79 -0.21 -0.007 0.52943E+03 44 daphnite 5.49 1.16 -4.33 -0.135 0.10804E+05 46 chlorite-Al-free 26.57 22.27 -4.30 -0.179 0.10723E+05 47 chloritoid-Mg -0.95 -3.46 -2.51 -0.167 0.62669E+04 48 chloritoid-Fe -3.64 -5.78 -2.14 -0.143 0.53467E+04 51 coesite -1.65 -2.10 -0.44 -0.147 0.11001E+04 56 corundum -3.66 -6.47 -2.81 -0.256 0.70190E+04 58 cristobalite -1.90 -2.10 -0.19 -0.063 0.47495E+03 61 cymrite-K -2.17 -5.69 -3.52 -0.294 0.87881E+04 63 diaspore -2.15 -3.24 -1.09 -0.181 0.27145E+04 64 diamond -1.79 -3.39 -1.61 -0.460 0.40147E+04 65 diopside 8.92 8.16 -0.77 -0.077 0.19126E+04 66 hedenbergite 7.43 5.83 -1.59 -0.159 0.39734E+04 67 dolomite,ordered -4.76 -6.23 -1.47 -0.245 0.36645E+04 68 eastonite 4.23 0.15 -4.08 -0.157 0.10166E+05 69 enstatite 8.67 6.03 -2.64 -0.264 0.65784E+04 70 clinoenstatite-HiP 9.42 6.03 -3.40 -0.340 0.84715E+04 71 clinoenstatite 8.60 6.03 -2.57 -0.257 0.64231E+04 72 protoenstatite 8.97 6.03 -2.95 -0.295 0.73488E+04 73 epidote 4.83 3.03 -1.80 -0.087 0.44961E+04 74 clinozoisite 0.59 -1.52 -2.11 -0.096 0.52586E+04 75 epidote-Fe 11.42 7.58 -3.84 -0.199 0.95714E+04 76 fayalite 6.29 3.47 -2.82 -0.403 0.70381E+04 77 ferrosilite 4.31 1.38 -2.93 -0.293 0.73143E+04 78 forsterite 11.24 8.12 -3.12 -0.445 0.77714E+04 81 gibbsite -0.75 -3.24 -2.48 -0.355 0.61903E+04 82 glaucophane 5.35 1.51 -3.84 -0.104 0.95760E+04 84 goethite 3.05 1.31 -1.74 -0.376 0.43390E+04 85 graphite -2.16 -3.39 -1.24 -0.353 0.30847E+04 86 greenalite 7.76 4.16 -3.60 -0.300 0.89846E+04 88 halite 0.75 -3.41 -4.16 -2.078 0.10365E+05 89 hematite 5.14 2.62 -2.52 -0.305 0.62779E+04 90 heulandite -12.87 -13.90 -1.03 -0.047 0.25709E+04 91 hercynite 0.67 -3.69 -4.36 -0.290 0.10870E+05 94 jadeite -0.47 -2.72 -2.25 -0.225 0.56101E+04 96 kalsilite 1.64 -1.50 -3.14 -0.449 0.78324E+04 97 kaolinite -8.61 -10.66 -2.05 -0.187 0.51243E+04 98 kyanite -5.96 -8.57 -2.60 -0.260 0.64982E+04 100 laumontite -6.25 -7.62 -1.36 -0.091 0.33974E+04 101 lawsonite -1.61 -3.42 -1.82 -0.121 0.45301E+04 102 leucite -1.09 -3.59 -2.51 -0.251 0.62511E+04 104 lizardite 13.19 11.14 -2.05 -0.171 0.51148E+04 105 magnesite -2.47 -4.18 -1.70 -0.568 0.42509E+04 106 magnetite 8.59 5.41 -3.18 -0.260 0.79312E+04 107 minnesotaite 2.99 -0.03 -3.02 -0.178 0.75357E+04 108 minnesotaite-Mg 10.32 6.95 -3.37 -0.198 0.84125E+04 112 margarite -6.88 -9.89 -3.01 -0.120 0.75121E+04 115 microcline -5.26 -5.69 -0.43 -0.033 0.10628E+04 116 monticellite 14.44 10.25 -4.19 -0.598 0.10447E+05 118 mullite-Si -4.63 -8.57 -3.94 -0.394 0.98315E+04 119 muscovite -10.27 -12.16 -1.89 -0.111 0.47193E+04 120 paragonite -9.36 -11.29 -1.93 -0.114 0.48142E+04 121 nepheline 1.94 -0.62 -2.56 -0.366 0.63837E+04 126 periclase 9.50 5.11 -4.39 -1.099 0.10961E+05 127 periclase-Fe 6.26 2.78 -3.48 -0.869 0.86738E+04 133 phlogopite-Na 12.59 10.51 -2.08 -0.116 0.51917E+04 135 prehnite 3.29 1.72 -1.57 -0.092 0.39226E+04 136 prehnite-Fe 8.25 6.27 -1.98 -0.119 0.49515E+04 137 pumpellyite-Fe 7.62 2.99 -4.63 -0.103 0.11546E+05 138 pumpellyite-Mg 9.55 5.31 -4.24 -0.094 0.10581E+05 140 px-Ca-tschermaks 2.65 -1.33 -3.98 -0.284 0.99217E+04 141 pyrite -19.76 -20.11 -0.35 -0.083 0.87588E+03 142 pyrrhotite -6.24 -7.19 -0.95 -0.317 0.23717E+04 143 pyrrhotiteFe0.875 -7.33 -7.90 -0.58 -0.212 0.14351E+04 144 pyroxmangite 4.05 0.00 -4.05 -0.809 0.10095E+05 145 pyrophyllite -12.81 -14.85 -2.04 -0.128 0.50899E+04 148 riebeckite 8.61 3.63 -4.98 -0.137 0.12430E+05 149 ringwoodite-Fe 7.47 3.47 -4.00 -0.571 0.99712E+04 151 rhodochrosite -3.03 -7.19 -4.16 -1.387 0.10376E+05 152 rhodonite 4.06 0.00 -4.06 -0.812 0.10126E+05 153 sanidine -4.43 -5.69 -1.25 -0.096 0.31293E+04 155 siderite -4.80 -6.50 -1.71 -0.569 0.42563E+04 156 sillimanite -5.89 -8.57 -2.67 -0.267 0.66641E+04 158 spinel 3.28 -1.36 -4.65 -0.310 0.11589E+05 163 stilbite -11.48 -13.90 -2.42 -0.115 0.60449E+04 164 stilpnomelane-Fe -3.87 -7.40 -3.52 -0.105 0.87913E+04 165 stilpnomelane-Mg 5.42 4.23 -1.20 -0.036 0.29813E+04 166 stishovite 2.09 -2.10 -4.18 -1.395 0.10438E+05 168 sudoite -4.62 -9.01 -4.40 -0.142 0.10964E+05 169 sulfur -8.92 -12.92 -4.00 -1.230 0.99748E+04 171 talc 7.58 6.95 -0.64 -0.038 0.15920E+04 173 talc-tschermaks 1.31 -2.54 -3.85 -0.227 0.96090E+04 178 topaz-H -5.02 -8.57 -3.54 -0.322 0.88405E+04 179 tridymite -1.93 -2.10 -0.17 -0.056 0.41974E+03 180 tremolite 24.63 23.26 -1.37 -0.037 0.34201E+04 182 troilite-low -6.25 -7.19 -0.94 -0.313 0.23403E+04 183 tschermakite 9.09 4.29 -4.80 -0.130 0.11963E+05 186 wadsleyite-Fe 7.49 3.47 -4.02 -0.575 0.10032E+05 188 wairakite -6.82 -7.61 -0.79 -0.047 0.19825E+04 189 walstromite 7.19 5.14 -2.05 -0.410 0.51102E+04 190 wollastonite 6.49 5.14 -1.35 -0.269 0.33611E+04 191 pseudo-wollastonite 6.78 5.14 -1.64 -0.328 0.40887E+04 192 zoisite 0.62 -1.52 -2.14 -0.097 0.53301E+04 193 beidellite-Ca -11.42 -14.03 -2.61 -0.161 0.65100E+04 194 beidellite-H -11.70 -15.23 -3.53 -0.225 0.88059E+04 195 beidellite-K -10.75 -13.96 -3.22 -0.197 0.80265E+04 196 beidellite-Mg -11.67 -14.39 -2.71 -0.168 0.67652E+04 197 beidellite-Na -10.70 -13.68 -2.97 -0.182 0.74121E+04 198 bornite -66.68 -66.69 -0.01 -0.001 0.18724E+02 200 chalcedony -1.97 -2.10 -0.13 -0.042 0.31340E+03 201 chalcocite -19.61 -21.21 -1.60 -0.400 0.39931E+04 202 covellite -14.98 -17.07 -2.09 -0.795 0.52067E+04 204 montmorillonite-Ca -9.31 -10.90 -1.59 -0.099 0.39783E+04 205 montmorillonite-K -8.77 -10.83 -2.07 -0.126 0.51519E+04 206 montmorillonite-Mg -9.58 -11.26 -1.68 -0.104 0.41859E+04 207 montmorillonite-Na -8.62 -10.55 -1.92 -0.118 0.47931E+04 209 nontronite-Ca -2.14 -4.94 -2.80 -0.182 0.69877E+04 210 nontronite-H -2.42 -6.14 -3.72 -0.249 0.92711E+04 211 nontronite-K -1.46 -4.87 -3.41 -0.219 0.85018E+04 212 nontronite-Mg -2.39 -5.29 -2.91 -0.189 0.72504E+04 213 nontronite-Na -1.42 -4.58 -3.16 -0.203 0.78903E+04 215 topaz -25.09 -29.10 -4.01 -0.446 0.10002E+05 229 tobermorite 7.94 3.93 -4.00 -1.093 0.99904E+04 235 alabandite -3.54 -7.88 -4.33 -1.445 0.10811E+05 240 boehmite -1.36 -3.24 -1.87 -0.312 0.46771E+04 245 copper,native -0.73 -4.15 -3.42 -1.190 0.85321E+04 246 dolomite,disordered -4.47 -6.23 -1.75 -0.292 0.43705E+04 247 ferrous-oxide 4.96 2.78 -2.17 -0.544 0.54237E+04 248 fluorite -12.00 -13.30 -1.29 -0.431 0.32288E+04 249 galena -10.07 -11.12 -1.05 -0.350 0.26177E+04 257 silica-amorphous -1.64 -2.10 -0.46 -0.153 0.11429E+04 260 sphalerite -10.27 -12.13 -1.86 -0.620 0.46388E+04 261 wurtzite -9.02 -12.13 -3.11 -1.036 0.77545E+04 263 an20ab80 -3.94 -4.54 -0.60 -0.046 0.14885E+04 264 an25ab75 -3.85 -4.47 -0.62 -0.047 0.15401E+04 265 an30ab70 -3.75 -4.40 -0.64 -0.050 0.16071E+04 266 tr.625ac.25prg.125 20.27 19.61 -0.66 -0.018 0.16437E+04 271 FeS-amorphous -4.33 -7.19 -2.86 -0.952 0.71267E+04 ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ Test file for CHIM-XPT. Boil Broadlands Water Water similar to Broadlands Well No. 2 CHIMRUN demo-2a ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ Number of loops used = 11 Loop limit = 200 Temperature = 272.00 C Pressure = 61.79 bar Mixer fraction = 0.0000000 Total current enthalpy = 296.5306 KCAL Water: Moles liquid = 0.5425E+02 kg liquid = 0.9774E+00 Moles total = 0.5551E+02 kg total = 0.1000E+01 Activity = 0.9989 Stoichiometric ionic strength = .6293443E-01 Osmotic coef. = 0.8741 True ionic strength = .3207602E-01 Chg. balance for total moles = 0.2402E-07 Max. difference allowed = 0.3072E-05 Log Log Log Species(n) Molality Molality Activity Activity Gamma Gamma 1 H+ 0.54623E-06 -6.2626 0.38151E-06 -6.4185 0.69844E+00 -0.1559 2 H2O 0.99894E+00 -0.0005 0.99894E+00 -0.0005 3 Cl- 0.29451E-01 -1.5309 0.20240E-01 -1.6938 0.68725E+00 -0.1629 4 SO4-- 0.48517E-08 -8.3141 0.12009E-08 -8.9205 0.24753E+00 -0.6064 5 HCO3- 0.19551E-02 -2.7088 0.13529E-02 -2.8687 0.69201E+00 -0.1599 6 HS- 0.40475E-03 -3.3928 0.27837E-03 -3.5554 0.68776E+00 -0.1626 7 H4SiO4 0.79729E-02 -2.0984 0.79729E-02 -2.0984 0.10000E+01 0.0000 8 Al+++ 0.76550E-21 -21.1161 0.32329E-22 -22.4904 0.42233E-01 -1.3744 9 Ca++ 0.10460E-04 -4.9805 0.25248E-05 -5.5978 0.24138E+00 -0.6173 10 Mg++ 0.79144E-07 -7.1016 0.18736E-07 -7.7273 0.23674E+00 -0.6257 11 Fe++ 0.37263E-09 -9.4287 0.88643E-10 -10.0524 0.23788E+00 -0.6236 12 K+ 0.37518E-02 -2.4258 0.26013E-02 -2.5848 0.69335E+00 -0.1590 13 Na+ 0.28266E-01 -1.5487 0.19436E-01 -1.7114 0.68760E+00 -0.1627 14 Mn++ 0.76036E-10 -10.1190 0.18152E-10 -10.7411 0.23873E+00 -0.6221 15 Zn++ 0.42866E-14 -14.3679 0.10197E-14 -14.9915 0.23788E+00 -0.6236 16 Cu+ 0.13303E-11 -11.8761 0.91447E-12 -12.0388 0.68743E+00 -0.1628 17 Pb++ 0.42692E-13 -13.3697 0.10428E-13 -13.9818 0.24425E+00 -0.6122 18 Hg++ 0.67888E-32 -32.1682 0.16490E-32 -32.7828 0.24289E+00 -0.6146 19 F- 0.20786E-03 -3.6822 0.14099E-03 -3.8508 0.67830E+00 -0.1686 21 HSiO3- 0.19191E-04 -4.7169 0.13189E-04 -4.8798 0.68725E+00 -0.1629 22 Ca(HSiO3)+ 0.66796E-07 -7.1753 0.46354E-07 -7.3339 0.69396E+00 -0.1587 23 Mg(HSiO3)+ 0.31830E-09 -9.4972 0.22089E-09 -9.6558 0.69396E+00 -0.1587 24 NaHSiO3,aq 0.44697E-05 -5.3497 0.44697E-05 -5.3497 0.10000E+01 0.0000 27 HAlO2,aq 0.11320E-07 -7.9461 0.11320E-07 -7.9461 0.10000E+01 0.0000 28 AlO2- 0.20857E-05 -5.6807 0.14177E-05 -5.8484 0.67972E+00 -0.1677 29 CH4,aq 0.46574E-03 -3.3319 0.45760E-03 -3.3395 0.98251E+00 -0.0077 30 C2H6,aq 0.23898E-09 -9.6216 0.23480E-09 -9.6293 0.98251E+00 -0.0077 34 CO,aq 0.51582E-06 -6.2875 0.51582E-06 -6.2875 0.10000E+01 0.0000 35 CO2,aq 0.55264E-01 -1.2576 0.54298E-01 -1.2652 0.98251E+00 -0.0077 36 CO3-2 0.11335E-06 -6.9456 0.27828E-07 -7.5555 0.24551E+00 -0.6099 37 CaCO3,aq 0.40505E-06 -6.3925 0.40505E-06 -6.3925 0.10000E+01 0.0000 38 Ca(HCO3)+ 0.11255E-04 -4.9486 0.78107E-05 -5.1073 0.69396E+00 -0.1587 39 CaCl+ 0.11682E-04 -4.9325 0.81072E-05 -5.0911 0.69396E+00 -0.1587 40 CaCl2,aq 0.21926E-06 -6.6590 0.21926E-06 -6.6590 0.10000E+01 0.0000 41 CaF+ 0.87609E-06 -6.0575 0.60797E-06 -6.2161 0.69396E+00 -0.1587 42 CaOH+ 0.14741E-05 -5.8315 0.10229E-05 -5.9901 0.69396E+00 -0.1587 43 CaSO4,aq 0.10796E-09 -9.9667 0.10796E-09 -9.9667 0.10000E+01 0.0000 44 HCl,aq 0.38093E-07 -7.4192 0.38093E-07 -7.4192 0.10000E+01 0.0000 53 CuCl,aq 0.23782E-09 -9.6238 0.23782E-09 -9.6238 0.10000E+01 0.0000 54 CuCl2- 0.16130E-09 -9.7924 0.11085E-09 -9.9553 0.68725E+00 -0.1629 61 HF,aq 0.28498E-04 -4.5452 0.28498E-04 -4.5452 0.10000E+01 0.0000 62 HF2- 0.16978E-08 -8.7701 0.11668E-08 -8.9330 0.68725E+00 -0.1629 64 FeCl+ 0.25348E-09 -9.5961 0.17591E-09 -9.7547 0.69396E+00 -0.1587 65 FeCl2,aq 0.32890E-10 -10.4829 0.32890E-10 -10.4829 0.10000E+01 0.0000 67 FeF+ 0.38641E-10 -10.4129 0.26816E-10 -10.5716 0.69396E+00 -0.1587 69 FeO,aq 0.24403E-08 -8.6126 0.24403E-08 -8.6126 0.10000E+01 0.0000 70 FeOH+ 0.25192E-08 -8.5987 0.17483E-08 -8.7574 0.69396E+00 -0.1587 71 HFeO2- 0.31898E-09 -9.4962 0.21922E-09 -9.6591 0.68725E+00 -0.1629 74 FeO2- 0.30273E-09 -9.5189 0.20805E-09 -9.6818 0.68725E+00 -0.1629 75 HFeO2,aq 0.16581E-09 -9.7804 0.16581E-09 -9.7804 0.10000E+01 0.0000 76 H2,aq 0.22299E-03 -3.6517 0.21909E-03 -3.6594 0.98251E+00 -0.0077 77 Hg,aq 0.11789E-08 -8.9285 0.11583E-08 -8.9362 0.98251E+00 -0.0077 90 KCl,aq 0.49694E-04 -4.3037 0.49694E-04 -4.3037 0.10000E+01 0.0000 92 KOH,aq 0.25533E-06 -6.5929 0.25533E-06 -6.5929 0.10000E+01 0.0000 93 KSO4- 0.22108E-08 -8.6555 0.15194E-08 -8.8183 0.68725E+00 -0.1629 94 MgCO3,aq 0.30551E-09 -9.5150 0.30551E-09 -9.5150 0.10000E+01 0.0000 95 Mg(HCO3)+ 0.73106E-07 -7.1360 0.50733E-07 -7.2947 0.69396E+00 -0.1587 96 MgCl+ 0.38186E-07 -7.4181 0.26500E-07 -7.5768 0.69396E+00 -0.1587 97 MgF+ 0.16954E-07 -7.7707 0.11766E-07 -7.9294 0.69396E+00 -0.1587 98 MgOH+ 0.32990E-07 -7.4816 0.22894E-07 -7.6403 0.69396E+00 -0.1587 101 MnO,aq 0.14276E-10 -10.8454 0.14276E-10 -10.8454 0.10000E+01 0.0000 102 MnOH+ 0.78848E-10 -10.1032 0.54718E-10 -10.2619 0.69396E+00 -0.1587 107 MnCl+ 0.12178E-08 -8.9144 0.84511E-09 -9.0731 0.69396E+00 -0.1587 109 NaCl,aq 0.19187E-02 -2.7170 0.19187E-02 -2.7170 0.10000E+01 0.0000 110 NaF,aq 0.11380E-04 -4.9439 0.11380E-04 -4.9439 0.10000E+01 0.0000 111 NaOH,aq 0.11936E-05 -5.9231 0.11936E-05 -5.9231 0.10000E+01 0.0000 113 OH- 0.24764E-04 -4.6062 0.16832E-04 -4.7739 0.67972E+00 -0.1677 124 Pb(HS)2,aq 0.11035E-07 -7.9572 0.11035E-07 -7.9572 0.10000E+01 0.0000 125 Pb(HS)3- 0.23071E-09 -9.6369 0.15855E-09 -9.7998 0.68725E+00 -0.1629 126 H2S,aq 0.31203E-02 -2.5058 0.30657E-02 -2.5135 0.98251E+00 -0.0077 127 S2-2 0.91940E-10 -10.0365 0.22572E-10 -10.6464 0.24551E+00 -0.6099 134 HSO3- 0.20868E-10 -10.6805 0.14341E-10 -10.8434 0.68725E+00 -0.1629 135 HSO4- 0.29127E-09 -9.5357 0.20277E-09 -9.6930 0.69616E+00 -0.1573 149 ZnCl+ 0.10119E-10 -10.9949 0.70219E-11 -11.1535 0.69396E+00 -0.1587 154 ZnOH+ 0.47387E-10 -10.3243 0.32885E-10 -10.4830 0.69396E+00 -0.1587 158 AlF2+ 0.49268E-09 -9.3074 0.34190E-09 -9.4661 0.69396E+00 -0.1587 159 AlF3,aq 0.66661E-07 -7.1761 0.66661E-07 -7.1761 0.10000E+01 0.0000 160 AlF4- 0.13921E-06 -6.8563 0.95671E-07 -7.0192 0.68725E+00 -0.1629 161 AlF5-- 0.24890E-08 -8.6040 0.61107E-09 -9.2139 0.24551E+00 -0.6099 164 Cu(HS)2- 0.61584E-07 -7.2105 0.42323E-07 -7.3734 0.68725E+00 -0.1629 165 CuH4S3-a 0.30605E-10 -10.5142 0.21033E-10 -10.6771 0.68725E+00 -0.1629 166 CuH4S3-b 0.45790E-10 -10.3392 0.31469E-10 -10.5021 0.68725E+00 -0.1629 177 HgH4S3,aq 0.16601E-10 -10.7799 0.16601E-10 -10.7799 0.10000E+01 0.0000 180 MnCl2,aq 0.12390E-08 -8.9069 0.12390E-08 -8.9069 0.10000E+01 0.0000 181 MnCl3- 0.16740E-09 -9.7762 0.11505E-09 -9.9391 0.68725E+00 -0.1629 183 NaCO3- 0.37220E-07 -7.4292 0.25580E-07 -7.5921 0.68725E+00 -0.1629 184 NaHCO3,aq 0.97190E-04 -4.0124 0.97190E-04 -4.0124 0.10000E+01 0.0000 185 NaHS,aq 0.19997E-04 -4.6990 0.19997E-04 -4.6990 0.10000E+01 0.0000 186 NaSO4- 0.29583E-08 -8.5290 0.20331E-08 -8.6918 0.68725E+00 -0.1629 187 PbCO3,aq 0.20526E-10 -10.6877 0.20526E-10 -10.6877 0.10000E+01 0.0000 188 PbOH+ 0.29167E-10 -10.5351 0.20241E-10 -10.6938 0.69396E+00 -0.1587 189 PbH4S3,aq 0.35427E-10 -10.4507 0.35427E-10 -10.4507 0.10000E+01 0.0000 193 Zn(HS)2,aq 0.15444E-07 -7.8112 0.15444E-07 -7.8112 0.10000E+01 0.0000 194 Zn(HS)3- 0.15017E-09 -9.8234 0.10320E-09 -9.9863 0.68725E+00 -0.1629 Charge balance for all species = 0.2458E-07 Component Molality Aq.molality ppm log[A(N)/A(H+)**Z] (total) 1 H+ 0.5462288E-06 0.5829804E-01 0.5844421E+02 -0.0000 2 H2O 0.1000000E+01 0.5545368E+02 0.9936300E+06 0.0000 3 Cl- 0.2945113E-01 0.3143169E-01 0.1108341E+04 4.7247 4 SO4-- 0.4851704E-08 -.5216106E-03 -.4983667E+02 3.9165 5 HCO3- 0.1955074E-02 0.5779481E-01 0.3507469E+04 3.5498 6 HS- 0.4047460E-03 0.4066856E-02 0.1337741E+03 2.8631 7 H4SiO4 0.7972911E-02 0.7996638E-02 0.7644573E+03 -2.0984 8 Al+++ 0.7655014E-21 0.2305879E-05 0.6188073E-01 -3.2349 9 Ca++ 0.1045983E-04 0.3643888E-04 0.1452526E+01 7.2392 10 Mg++ 0.7914354E-07 0.2410060E-06 0.5827756E-02 5.1097 11 Fe++ 0.3726315E-09 0.6445148E-08 0.3580021E-03 2.7846 12 K+ 0.3751810E-02 0.3801762E-02 0.1478552E+03 3.8337 13 Na+ 0.2826641E-01 0.3031935E-01 0.6932787E+03 4.7071 14 Mn++ 0.7603552E-10 0.2803896E-08 0.1532102E-03 2.0959 15 Zn++ 0.4286620E-14 0.1565437E-07 0.1017811E-02 -2.1545 16 Cu+ 0.1330268E-11 0.6206087E-07 0.3922093E-02 -5.6203 17 Pb++ 0.4269155E-13 0.1135709E-07 0.2340393E-02 -1.1448 18 Hg++ 0.6788804E-32 0.1198921E-08 0.2391953E-03 -19.9458 19 F- 0.2078630E-03 0.2494077E-03 0.4712707E+01 2.5677 Component Tot moles Aq. moles Solid moles Gas moles 1 H+ 0.1822172E+00 0.5697833E-01 -.1503359E-08 0.1252389E+00 2 H2O 0.5550825E+02 0.5419836E+02 -.7946013E-04 0.1309972E+01 3 Cl- 0.3072017E-01 0.3072017E-01 0.0000000E+00 0.1724906E-08 4 SO4-- -.4257700E-02 -.5098027E-03 0.2147656E-09 -.3747897E-02 5 HCO3- 0.1832100E+00 0.5648649E-01 0.0000000E+00 0.1267235E+00 6 HS- 0.9985820E-02 0.3974794E-02 0.3221484E-08 0.6011023E-02 7 H4SiO4 0.7855346E-02 0.7815616E-02 0.3972964E-04 0.0000000E+00 8 Al+++ 0.2253680E-05 0.2253680E-05 0.0000000E+00 0.0000000E+00 9 Ca++ 0.3561400E-04 0.3561400E-04 0.0000000E+00 0.0000000E+00 10 Mg++ 0.2355503E-06 0.2355503E-06 0.0000000E+00 0.0000000E+00 11 Fe++ 0.8017372E-08 0.6299247E-08 0.1718125E-08 0.0000000E+00 12 K+ 0.3715700E-02 0.3715700E-02 0.0000000E+00 0.0000000E+00 13 Na+ 0.2963300E-01 0.2963300E-01 0.0000000E+00 0.0000000E+00 14 Mn++ 0.2740424E-08 0.2740424E-08 0.0000000E+00 0.0000000E+00 15 Zn++ 0.1530000E-07 0.1530000E-07 0.0000000E+00 0.0000000E+00 16 Cu+ 0.6237410E-07 0.6065598E-07 0.1718125E-08 0.0000000E+00 17 Pb++ 0.1110000E-07 0.1110000E-07 0.0000000E+00 0.0000000E+00 18 Hg++ 0.4000000E-08 0.1171781E-08 0.0000000E+00 0.2828219E-08 19 F- 0.2439100E-03 0.2437617E-03 0.0000000E+00 0.1482593E-06 Chg. balance for solid moles: 0.2238E-16 Mass of aqueous solution: 0.982659E+03 g Temperature = 272.00 C Pressure = 61.79 bar Mixer frac. = 0.0000000 Log Log Vol Gas or mineral Moles Moles Grams Grams Wt.% (cm3) H2O,gas 1.428 0.155 25.72 1.410 82.21 790.6 CO2,gas 0.1234 -0.909 5.432 0.735 17.36 98.41 CH4,gas 0.3300E-02 -2.481 0.5293E-01 -1.276 0.1692 2.941 H2,gas 0.1788E-02 -2.748 0.3611E-02 -2.442 0.1154E-01 1.341 H2S,gas 0.2263E-02 -2.645 0.7713E-01 -1.113 0.2465 1.542 CO,gas 0.3033E-05 -5.518 0.8495E-04 -4.071 0.2715E-03 0.2225E-02 SO2,gas 0.2646E-12 -12.577 0.1695E-10 -10.771 0.5418E-10 0.1941E-09 HF,gas 0.1483E-06 -6.829 0.2965E-05 -5.528 0.9477E-05 0.1088E-03 HCl,gas 0.1725E-08 -8.763 0.6289E-07 -7.201 0.2010E-06 0.1265E-05 Hg,gas 0.2828E-08 -8.548 0.5673E-06 -6.246 0.1813E-05 0.2075E-05 chalcopyrite 0.1718E-08 -8.765 0.3153E-06 -6.501 0.1321E-01 0.7359E-07 quartz 0.3973E-04 -4.401 0.2387E-02 -2.622 99.99 0.9014E-03 Partial press. Fugacity coef Log fugacity Gas or Mineral Mole fraction or activity Activity coef Log activity H2O,gas 0.9161E+00 0.5661E+02 0.8126 1.663 CO2,gas 0.7916E-01 0.4891E+01 0.9741 0.678 CH4,gas 0.2117E-02 0.1308E+00 1.1772 -0.813 H2,gas 0.1147E-02 0.7086E-01 1.0226 -1.140 H2S,gas 0.1452E-02 0.8969E-01 0.9277 -1.080 CO,gas 0.1945E-05 0.1202E-03 1.0000 -3.920 SO2,gas 0.1697E-12 0.1049E-10 1.0000 -10.979 HF,gas 0.9509E-07 0.5876E-05 1.0000 -5.231 HCl,gas 0.1106E-08 0.6836E-07 1.0000 -7.165 Hg,gas 0.1814E-08 0.1121E-06 1.0000 -6.950 chalcopyrite 0.1000E+01 0.1000E+01 1.0000 0.000 quartz 0.1000E+01 0.1000E+01 1.0000 0.000 Current weight percent of gas: 3.085880 % Solid products produced: Mass = 0.002387 g Volume = 0.000901 cm3 WARNING: mineral volume may be in error because some mineral densities were not supplied in SOLTHERM. See mineral list in file Skip_Species.txt. NON-Ideal mixing with H2O, CO2, CH4 Gases ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ The following gases and minerals are presently in matrix or were just added Gas or Mineral Log K Log Q Log(Q/K) Log(Q/K)/S Affinity Log Fugacity 1 H2O,gas 0.13 0.13 0.00 0.000 -0.71854E-09 2 CO2,gas -8.17 -8.17 -0.00 -0.000 0.30575E-09 3 CH4,gas 5.10 5.10 -0.00 -0.000 0.71342E-09 4 H2,gas 5.88 5.88 -0.00 -0.000 0.64252E-10 5 H2S,gas -7.10 -7.10 0.00 0.000 -0.21048E-09 6 CO,gas -0.63 -0.63 0.00 0.000 0.00000E+00 7 SO2,gas -6.04 -6.04 0.00 0.000 -0.11078E-10 8 HF,gas -3.25 -3.25 0.00 0.000 -0.22156E-11 9 HCl,gas 0.84 0.84 0.00 0.000 -0.60928E-11 10 Hg,gas -8.26 -8.26 0.00 0.000 -0.13293E-10 146 quartz -2.10 -2.10 0.00 0.000 0.00000E+00 242 chalcopyrite -24.26 -24.26 0.00 0.000 -0.88623E-11 43 clinochlore 13.00 12.78 -0.22 -0.007 0.54578E+03 44 daphnite 5.49 1.16 -4.34 -0.136 0.10820E+05 45 chlorite-Mn 21.25 -2.29 -23.54 -0.736 0.58720E+05 The following gases and minerals are presently EXCLUDED from matrix (Gases and minerals with log(Q/K) less than -5 are not listed below) Gas or Mineral Log K Log Q Log(Q/K) Log(Q/K)/S Affinity Log Fugacity 11 acmite 4.60 1.82 -2.78 -0.289 0.69298E+04 15 albite-high -3.73 -4.82 -1.09 -0.084 0.27152E+04 16 albite -4.19 -4.82 -0.63 -0.048 0.15697E+04 20 analcite -1.34 -2.72 -1.38 -0.153 0.34448E+04 21 andalusite -6.03 -8.57 -2.54 -0.254 0.63341E+04 22 andradite 21.58 18.05 -3.54 -0.184 0.88226E+04 23 grossular 11.76 8.95 -2.81 -0.140 0.69981E+04 25 ankerite -6.73 -8.55 -1.82 -0.303 0.45360E+04 26 annite 6.04 2.66 -3.38 -0.188 0.84373E+04 27 phlogopite 11.18 9.63 -1.54 -0.086 0.38514E+04 29 anorthite -1.85 -3.43 -1.58 -0.122 0.39470E+04 32 aragonite -1.51 -2.05 -0.53 -0.178 0.13328E+04 33 brucite 7.81 5.11 -2.71 -0.541 0.67480E+04 34 calcite -1.66 -2.05 -0.38 -0.128 0.95787E+03 35 carnegieite-low 2.43 -0.63 -3.06 -0.437 0.76334E+04 36 carnegieite-high 2.91 -0.63 -3.54 -0.506 0.88301E+04 37 carpholite-Mg -3.39 -5.56 -2.17 -0.145 0.54196E+04 38 carpholite-Fe -4.79 -7.88 -3.10 -0.206 0.77236E+04 39 celadonite -0.29 -2.68 -2.39 -0.141 0.59635E+04 40 celadonite-Fe -1.56 -5.01 -3.44 -0.203 0.85919E+04 41 chrysotile 13.41 11.13 -2.28 -0.190 0.56758E+04 46 chlorite-Al-free 26.57 22.26 -4.31 -0.179 0.10744E+05 47 chloritoid-Mg -0.95 -3.46 -2.51 -0.168 0.62724E+04 48 chloritoid-Fe -3.64 -5.78 -2.15 -0.143 0.53522E+04 51 coesite -1.65 -2.10 -0.44 -0.148 0.11056E+04 56 corundum -3.66 -6.47 -2.81 -0.256 0.70190E+04 58 cristobalite -1.90 -2.10 -0.19 -0.064 0.48045E+03 61 cymrite-K -2.17 -5.69 -3.53 -0.294 0.88046E+04 63 diaspore -2.15 -3.24 -1.09 -0.181 0.27145E+04 64 diamond -1.79 -3.39 -1.61 -0.460 0.40147E+04 65 diopside 8.92 8.15 -0.77 -0.077 0.19235E+04 66 hedenbergite 7.43 5.83 -1.60 -0.160 0.39843E+04 67 dolomite,ordered -4.76 -6.23 -1.47 -0.245 0.36644E+04 68 eastonite 4.23 0.15 -4.08 -0.157 0.10177E+05 69 enstatite 8.67 6.02 -2.64 -0.264 0.65893E+04 70 clinoenstatite-HiP 9.42 6.02 -3.40 -0.340 0.84824E+04 71 clinoenstatite 8.60 6.02 -2.58 -0.258 0.64340E+04 72 protoenstatite 8.97 6.02 -2.95 -0.295 0.73597E+04 73 epidote 4.83 3.02 -1.81 -0.088 0.45126E+04 74 clinozoisite 0.59 -1.52 -2.11 -0.096 0.52751E+04 75 epidote-Fe 11.42 7.57 -3.84 -0.200 0.95878E+04 76 fayalite 6.29 3.47 -2.82 -0.403 0.70435E+04 77 ferrosilite 4.31 1.37 -2.94 -0.294 0.73253E+04 78 forsterite 11.24 8.12 -3.12 -0.445 0.77769E+04 81 gibbsite -0.75 -3.24 -2.48 -0.355 0.61903E+04 82 glaucophane 5.35 1.49 -3.86 -0.104 0.96199E+04 84 goethite 3.05 1.31 -1.74 -0.376 0.43390E+04 85 graphite -2.16 -3.39 -1.24 -0.353 0.30846E+04 86 greenalite 7.76 4.16 -3.61 -0.301 0.89956E+04 88 halite 0.75 -3.41 -4.16 -2.078 0.10365E+05 89 hematite 5.14 2.62 -2.52 -0.305 0.62779E+04 90 heulandite -12.87 -13.92 -1.05 -0.048 0.26093E+04 91 hercynite 0.67 -3.69 -4.36 -0.290 0.10870E+05 94 jadeite -0.47 -2.72 -2.25 -0.225 0.56211E+04 96 kalsilite 1.64 -1.50 -3.14 -0.449 0.78379E+04 97 kaolinite -8.61 -10.67 -2.06 -0.187 0.51353E+04 98 kyanite -5.96 -8.57 -2.61 -0.261 0.65037E+04 100 laumontite -6.25 -7.62 -1.37 -0.091 0.34194E+04 101 lawsonite -1.61 -3.43 -1.82 -0.121 0.45411E+04 102 leucite -1.09 -3.60 -2.51 -0.251 0.62620E+04 104 lizardite 13.19 11.13 -2.05 -0.171 0.51257E+04 105 magnesite -2.47 -4.18 -1.70 -0.568 0.42509E+04 106 magnetite 8.59 5.41 -3.18 -0.260 0.79311E+04 107 minnesotaite 2.99 -0.04 -3.03 -0.178 0.75576E+04 108 minnesotaite-Mg 10.32 6.94 -3.38 -0.199 0.84344E+04 112 margarite -6.88 -9.90 -3.02 -0.121 0.75231E+04 115 microcline -5.26 -5.69 -0.43 -0.033 0.10793E+04 116 monticellite 14.44 10.25 -4.19 -0.599 0.10453E+05 118 mullite-Si -4.63 -8.57 -3.94 -0.394 0.98371E+04 119 muscovite -10.27 -12.17 -1.90 -0.112 0.47358E+04 120 paragonite -9.36 -11.29 -1.94 -0.114 0.48307E+04 121 nepheline 1.94 -0.63 -2.56 -0.366 0.63892E+04 126 periclase 9.50 5.11 -4.39 -1.099 0.10961E+05 127 periclase-Fe 6.26 2.78 -3.48 -0.869 0.86738E+04 133 phlogopite-Na 12.59 10.51 -2.09 -0.116 0.52081E+04 135 prehnite 3.29 1.71 -1.58 -0.093 0.39390E+04 136 prehnite-Fe 8.25 6.26 -1.99 -0.120 0.49679E+04 137 pumpellyite-Fe 7.62 2.97 -4.64 -0.103 0.11579E+05 138 pumpellyite-Mg 9.55 5.30 -4.26 -0.095 0.10614E+05 140 px-Ca-tschermaks 2.65 -1.33 -3.98 -0.284 0.99271E+04 141 pyrite -19.76 -20.11 -0.35 -0.083 0.87583E+03 142 pyrrhotite -6.24 -7.19 -0.95 -0.317 0.23717E+04 143 pyrrhotiteFe0.875 -7.33 -7.90 -0.58 -0.212 0.14350E+04 144 pyroxmangite 4.05 -0.00 -4.05 -0.810 0.10101E+05 145 pyrophyllite -12.81 -14.86 -2.05 -0.128 0.51119E+04 149 ringwoodite-Fe 7.47 3.47 -4.00 -0.571 0.99767E+04 151 rhodochrosite -3.03 -7.19 -4.16 -1.387 0.10376E+05 152 rhodonite 4.06 -0.00 -4.06 -0.812 0.10132E+05 153 sanidine -4.43 -5.69 -1.26 -0.097 0.31458E+04 155 siderite -4.80 -6.50 -1.71 -0.569 0.42563E+04 156 sillimanite -5.89 -8.57 -2.67 -0.267 0.66696E+04 158 spinel 3.28 -1.36 -4.65 -0.310 0.11589E+05 163 stilbite -11.48 -13.92 -2.44 -0.116 0.60834E+04 164 stilpnomelane-Fe -3.87 -7.42 -3.54 -0.106 0.88352E+04 165 stilpnomelane-Mg 5.42 4.21 -1.21 -0.036 0.30251E+04 166 stishovite 2.09 -2.10 -4.19 -1.395 0.10443E+05 168 sudoite -4.62 -9.02 -4.40 -0.142 0.10981E+05 169 sulfur -8.92 -12.92 -4.00 -1.230 0.99748E+04 171 talc 7.58 6.94 -0.65 -0.038 0.16139E+04 173 talc-tschermaks 1.31 -2.55 -3.86 -0.227 0.96255E+04 178 topaz-H -5.02 -8.57 -3.55 -0.322 0.88460E+04 179 tridymite -1.93 -2.10 -0.17 -0.057 0.42523E+03 180 tremolite 24.63 23.24 -1.39 -0.038 0.34639E+04 182 troilite-low -6.25 -7.19 -0.94 -0.313 0.23403E+04 183 tschermakite 9.09 4.28 -4.81 -0.130 0.11996E+05 186 wadsleyite-Fe 7.49 3.47 -4.02 -0.575 0.10038E+05 188 wairakite -6.82 -7.62 -0.80 -0.047 0.20044E+04 189 walstromite 7.19 5.14 -2.05 -0.410 0.51156E+04 190 wollastonite 6.49 5.14 -1.35 -0.270 0.33666E+04 191 pseudo-wollastonite 6.78 5.14 -1.64 -0.328 0.40941E+04 192 zoisite 0.62 -1.52 -2.14 -0.097 0.53466E+04 193 beidellite-Ca -11.42 -14.04 -2.62 -0.162 0.65302E+04 194 beidellite-H -11.70 -15.24 -3.54 -0.226 0.88262E+04 195 beidellite-K -10.75 -13.97 -3.23 -0.198 0.80467E+04 196 beidellite-Mg -11.67 -14.39 -2.72 -0.168 0.67854E+04 197 beidellite-Na -10.70 -13.68 -2.98 -0.182 0.74323E+04 198 bornite -66.68 -66.69 -0.01 -0.001 0.18902E+02 200 chalcedony -1.97 -2.10 -0.13 -0.043 0.31890E+03 201 chalcocite -19.61 -21.21 -1.60 -0.400 0.39932E+04 202 covellite -14.98 -17.07 -2.09 -0.795 0.52067E+04 204 montmorillonite-Ca -9.31 -10.91 -1.60 -0.099 0.40003E+04 205 montmorillonite-K -8.77 -10.84 -2.07 -0.127 0.51739E+04 206 montmorillonite-Mg -9.58 -11.26 -1.69 -0.104 0.42079E+04 207 montmorillonite-Na -8.62 -10.55 -1.93 -0.118 0.48151E+04 209 nontronite-Ca -2.14 -4.95 -2.81 -0.182 0.70078E+04 210 nontronite-H -2.42 -6.14 -3.72 -0.250 0.92912E+04 211 nontronite-K -1.46 -4.88 -3.42 -0.219 0.85219E+04 212 nontronite-Mg -2.39 -5.30 -2.91 -0.189 0.72705E+04 213 nontronite-Na -1.42 -4.59 -3.17 -0.204 0.79104E+04 215 topaz -25.09 -29.11 -4.01 -0.446 0.10008E+05 229 tobermorite 7.94 3.93 -4.01 -1.093 0.99959E+04 235 alabandite -3.54 -7.88 -4.33 -1.445 0.10811E+05 240 boehmite -1.36 -3.24 -1.87 -0.312 0.46771E+04 245 copper,native -0.73 -4.15 -3.42 -1.190 0.85321E+04 246 dolomite,disordered -4.47 -6.23 -1.75 -0.292 0.43704E+04 247 ferrous-oxide 4.96 2.78 -2.17 -0.544 0.54236E+04 248 fluorite -12.00 -13.30 -1.29 -0.431 0.32288E+04 249 galena -10.07 -11.12 -1.05 -0.350 0.26177E+04 257 silica-amorphous -1.64 -2.10 -0.46 -0.153 0.11484E+04 260 sphalerite -10.27 -12.13 -1.86 -0.620 0.46389E+04 261 wurtzite -9.02 -12.13 -3.11 -1.036 0.77545E+04 263 an20ab80 -3.94 -4.54 -0.60 -0.046 0.15039E+04 264 an25ab75 -3.85 -4.47 -0.62 -0.048 0.15552E+04 265 an30ab70 -3.75 -4.40 -0.65 -0.050 0.16219E+04 266 tr.625ac.25prg.125 20.27 19.60 -0.68 -0.018 0.16861E+04 271 FeS-amorphous -4.33 -7.19 -2.86 -0.952 0.71267E+04 ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ Test file for CHIM-XPT. Boil Broadlands Water Water similar to Broadlands Well No. 2 CHIMRUN demo-2a ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ Number of loops used = 9 Loop limit = 200 Temperature = 272.00 C Pressure = 61.79 bar Mixer fraction = 0.0000000 Total current enthalpy = 296.5306 KCAL Water: Moles liquid = 0.5425E+02 kg liquid = 0.9774E+00 Moles total = 0.5551E+02 kg total = 0.1000E+01 Activity = 0.9989 Stoichiometric ionic strength = .6293438E-01 Osmotic coef. = 0.8741 True ionic strength = .3207600E-01 Chg. balance for total moles = 0.2402E-07 Max. difference allowed = 0.3072E-05 Log Log Log Species(n) Molality Molality Activity Activity Gamma Gamma 1 H+ 0.54623E-06 -6.2626 0.38151E-06 -6.4185 0.69844E+00 -0.1559 2 H2O 0.99894E+00 -0.0005 0.99894E+00 -0.0005 3 Cl- 0.29451E-01 -1.5309 0.20240E-01 -1.6938 0.68725E+00 -0.1629 4 SO4-- 0.48517E-08 -8.3141 0.12009E-08 -8.9205 0.24753E+00 -0.6064 5 HCO3- 0.19551E-02 -2.7088 0.13529E-02 -2.8687 0.69201E+00 -0.1599 6 HS- 0.40474E-03 -3.3928 0.27837E-03 -3.5554 0.68776E+00 -0.1626 7 H4SiO4 0.79729E-02 -2.0984 0.79729E-02 -2.0984 0.10000E+01 0.0000 8 Al+++ 0.76404E-21 -21.1169 0.32267E-22 -22.4912 0.42233E-01 -1.3744 9 Ca++ 0.10460E-04 -4.9805 0.25248E-05 -5.5978 0.24138E+00 -0.6173 10 Mg++ 0.75976E-07 -7.1193 0.17987E-07 -7.7451 0.23674E+00 -0.6257 11 Fe++ 0.36476E-09 -9.4380 0.86770E-10 -10.0616 0.23788E+00 -0.6236 12 K+ 0.37518E-02 -2.4258 0.26013E-02 -2.5848 0.69335E+00 -0.1590 13 Na+ 0.28266E-01 -1.5487 0.19436E-01 -1.7114 0.68760E+00 -0.1627 14 Mn++ 0.76030E-10 -10.1190 0.18151E-10 -10.7411 0.23873E+00 -0.6221 15 Zn++ 0.42867E-14 -14.3679 0.10197E-14 -14.9915 0.23788E+00 -0.6236 16 Cu+ 0.13590E-11 -11.8668 0.93422E-12 -12.0296 0.68743E+00 -0.1628 17 Pb++ 0.42692E-13 -13.3697 0.10428E-13 -13.9818 0.24425E+00 -0.6122 18 Hg++ 0.67889E-32 -32.1682 0.16490E-32 -32.7828 0.24289E+00 -0.6146 19 F- 0.20786E-03 -3.6822 0.14100E-03 -3.8508 0.67830E+00 -0.1686 21 HSiO3- 0.19191E-04 -4.7169 0.13189E-04 -4.8798 0.68725E+00 -0.1629 22 Ca(HSiO3)+ 0.66796E-07 -7.1753 0.46354E-07 -7.3339 0.69396E+00 -0.1587 23 Mg(HSiO3)+ 0.30555E-09 -9.5149 0.21204E-09 -9.6736 0.69396E+00 -0.1587 24 NaHSiO3,aq 0.44696E-05 -5.3497 0.44696E-05 -5.3497 0.10000E+01 0.0000 27 HAlO2,aq 0.11299E-07 -7.9470 0.11299E-07 -7.9470 0.10000E+01 0.0000 28 AlO2- 0.20817E-05 -5.6816 0.14150E-05 -5.8493 0.67972E+00 -0.1677 29 CH4,aq 0.46574E-03 -3.3319 0.45760E-03 -3.3395 0.98251E+00 -0.0077 30 C2H6,aq 0.23898E-09 -9.6216 0.23480E-09 -9.6293 0.98251E+00 -0.0077 34 CO,aq 0.51582E-06 -6.2875 0.51582E-06 -6.2875 0.10000E+01 0.0000 35 CO2,aq 0.55264E-01 -1.2576 0.54298E-01 -1.2652 0.98251E+00 -0.0077 36 CO3-2 0.11335E-06 -6.9456 0.27828E-07 -7.5555 0.24551E+00 -0.6099 37 CaCO3,aq 0.40504E-06 -6.3925 0.40504E-06 -6.3925 0.10000E+01 0.0000 38 Ca(HCO3)+ 0.11255E-04 -4.9486 0.78107E-05 -5.1073 0.69396E+00 -0.1587 39 CaCl+ 0.11683E-04 -4.9325 0.81072E-05 -5.0911 0.69396E+00 -0.1587 40 CaCl2,aq 0.21926E-06 -6.6590 0.21926E-06 -6.6590 0.10000E+01 0.0000 41 CaF+ 0.87609E-06 -6.0574 0.60798E-06 -6.2161 0.69396E+00 -0.1587 42 CaOH+ 0.14741E-05 -5.8315 0.10229E-05 -5.9901 0.69396E+00 -0.1587 43 CaSO4,aq 0.10796E-09 -9.9667 0.10796E-09 -9.9667 0.10000E+01 0.0000 44 HCl,aq 0.38093E-07 -7.4192 0.38093E-07 -7.4192 0.10000E+01 0.0000 53 CuCl,aq 0.24296E-09 -9.6145 0.24296E-09 -9.6145 0.10000E+01 0.0000 54 CuCl2- 0.16478E-09 -9.7831 0.11325E-09 -9.9460 0.68725E+00 -0.1629 61 HF,aq 0.28498E-04 -4.5452 0.28498E-04 -4.5452 0.10000E+01 0.0000 62 HF2- 0.16978E-08 -8.7701 0.11668E-08 -8.9330 0.68725E+00 -0.1629 64 FeCl+ 0.24813E-09 -9.6053 0.17219E-09 -9.7640 0.69396E+00 -0.1587 65 FeCl2,aq 0.32195E-10 -10.4922 0.32195E-10 -10.4922 0.10000E+01 0.0000 67 FeF+ 0.37825E-10 -10.4222 0.26249E-10 -10.5809 0.69396E+00 -0.1587 69 FeO,aq 0.23887E-08 -8.6218 0.23887E-08 -8.6218 0.10000E+01 0.0000 70 FeOH+ 0.24660E-08 -8.6080 0.17113E-08 -8.7667 0.69396E+00 -0.1587 71 HFeO2- 0.31223E-09 -9.5055 0.21458E-09 -9.6684 0.68725E+00 -0.1629 74 FeO2- 0.29633E-09 -9.5282 0.20365E-09 -9.6911 0.68725E+00 -0.1629 75 HFeO2,aq 0.16231E-09 -9.7897 0.16231E-09 -9.7897 0.10000E+01 0.0000 76 H2,aq 0.22299E-03 -3.6517 0.21909E-03 -3.6594 0.98251E+00 -0.0077 77 Hg,aq 0.11789E-08 -8.9285 0.11583E-08 -8.9362 0.98251E+00 -0.0077 90 KCl,aq 0.49694E-04 -4.3037 0.49694E-04 -4.3037 0.10000E+01 0.0000 92 KOH,aq 0.25533E-06 -6.5929 0.25533E-06 -6.5929 0.10000E+01 0.0000 93 KSO4- 0.22108E-08 -8.6555 0.15193E-08 -8.8183 0.68725E+00 -0.1629 94 MgCO3,aq 0.29328E-09 -9.5327 0.29328E-09 -9.5327 0.10000E+01 0.0000 95 Mg(HCO3)+ 0.70179E-07 -7.1538 0.48702E-07 -7.3125 0.69396E+00 -0.1587 96 MgCl+ 0.36658E-07 -7.4358 0.25439E-07 -7.5945 0.69396E+00 -0.1587 97 MgF+ 0.16276E-07 -7.7885 0.11295E-07 -7.9471 0.69396E+00 -0.1587 98 MgOH+ 0.31670E-07 -7.4994 0.21978E-07 -7.6580 0.69396E+00 -0.1587 101 MnO,aq 0.14275E-10 -10.8454 0.14275E-10 -10.8454 0.10000E+01 0.0000 102 MnOH+ 0.78841E-10 -10.1032 0.54713E-10 -10.2619 0.69396E+00 -0.1587 107 MnCl+ 0.12177E-08 -8.9145 0.84504E-09 -9.0731 0.69396E+00 -0.1587 109 NaCl,aq 0.19187E-02 -2.7170 0.19187E-02 -2.7170 0.10000E+01 0.0000 110 NaF,aq 0.11380E-04 -4.9439 0.11380E-04 -4.9439 0.10000E+01 0.0000 111 NaOH,aq 0.11936E-05 -5.9231 0.11936E-05 -5.9231 0.10000E+01 0.0000 113 OH- 0.24764E-04 -4.6062 0.16832E-04 -4.7739 0.67972E+00 -0.1677 124 Pb(HS)2,aq 0.11035E-07 -7.9572 0.11035E-07 -7.9572 0.10000E+01 0.0000 125 Pb(HS)3- 0.23071E-09 -9.6369 0.15855E-09 -9.7998 0.68725E+00 -0.1629 126 H2S,aq 0.31203E-02 -2.5058 0.30657E-02 -2.5135 0.98251E+00 -0.0077 127 S2-2 0.91939E-10 -10.0365 0.22572E-10 -10.6464 0.24551E+00 -0.6099 134 HSO3- 0.20868E-10 -10.6805 0.14341E-10 -10.8434 0.68725E+00 -0.1629 135 HSO4- 0.29127E-09 -9.5357 0.20277E-09 -9.6930 0.69616E+00 -0.1573 149 ZnCl+ 0.10119E-10 -10.9949 0.70220E-11 -11.1535 0.69396E+00 -0.1587 154 ZnOH+ 0.47387E-10 -10.3243 0.32885E-10 -10.4830 0.69396E+00 -0.1587 158 AlF2+ 0.49174E-09 -9.3083 0.34125E-09 -9.4669 0.69396E+00 -0.1587 159 AlF3,aq 0.66535E-07 -7.1770 0.66535E-07 -7.1770 0.10000E+01 0.0000 160 AlF4- 0.13895E-06 -6.8572 0.95491E-07 -7.0200 0.68725E+00 -0.1629 161 AlF5-- 0.24844E-08 -8.6048 0.60993E-09 -9.2147 0.24551E+00 -0.6099 164 Cu(HS)2- 0.62913E-07 -7.2013 0.43237E-07 -7.3641 0.68725E+00 -0.1629 165 CuH4S3-a 0.31266E-10 -10.5049 0.21488E-10 -10.6678 0.68725E+00 -0.1629 166 CuH4S3-b 0.46779E-10 -10.3300 0.32149E-10 -10.4928 0.68725E+00 -0.1629 177 HgH4S3,aq 0.16601E-10 -10.7799 0.16601E-10 -10.7799 0.10000E+01 0.0000 180 MnCl2,aq 0.12389E-08 -8.9070 0.12389E-08 -8.9070 0.10000E+01 0.0000 181 MnCl3- 0.16739E-09 -9.7763 0.11504E-09 -9.9392 0.68725E+00 -0.1629 183 NaCO3- 0.37220E-07 -7.4292 0.25579E-07 -7.5921 0.68725E+00 -0.1629 184 NaHCO3,aq 0.97190E-04 -4.0124 0.97190E-04 -4.0124 0.10000E+01 0.0000 185 NaHS,aq 0.19997E-04 -4.6990 0.19997E-04 -4.6990 0.10000E+01 0.0000 186 NaSO4- 0.29583E-08 -8.5290 0.20331E-08 -8.6918 0.68725E+00 -0.1629 187 PbCO3,aq 0.20526E-10 -10.6877 0.20526E-10 -10.6877 0.10000E+01 0.0000 188 PbOH+ 0.29167E-10 -10.5351 0.20241E-10 -10.6938 0.69396E+00 -0.1587 189 PbH4S3,aq 0.35427E-10 -10.4507 0.35427E-10 -10.4507 0.10000E+01 0.0000 193 Zn(HS)2,aq 0.15444E-07 -7.8112 0.15444E-07 -7.8112 0.10000E+01 0.0000 194 Zn(HS)3- 0.15017E-09 -9.8234 0.10320E-09 -9.9863 0.68725E+00 -0.1629 Charge balance for all species = 0.2458E-07 Component Molality Aq.molality ppm log[A(N)/A(H+)**Z] (total) 1 H+ 0.5462316E-06 0.5829807E-01 0.5844423E+02 0.0000 2 H2O 0.1000000E+01 0.5545368E+02 0.9936300E+06 0.0000 3 Cl- 0.2945113E-01 0.3143169E-01 0.1108341E+04 4.7247 4 SO4-- 0.4851654E-08 -.5216105E-03 -.4983667E+02 3.9165 5 HCO3- 0.1955064E-02 0.5779480E-01 0.3507469E+04 3.5498 6 HS- 0.4047440E-03 0.4066858E-02 0.1337742E+03 2.8631 7 H4SiO4 0.7972911E-02 0.7996638E-02 0.7644573E+03 -2.0984 8 Al+++ 0.7640365E-21 0.2301430E-05 0.6176132E-01 -3.2358 9 Ca++ 0.1045985E-04 0.3643888E-04 0.1452526E+01 7.2392 10 Mg++ 0.7597572E-07 0.2313591E-06 0.5594483E-02 5.0919 11 Fe++ 0.3647588E-09 0.6308931E-08 0.3504358E-03 2.7754 12 K+ 0.3751810E-02 0.3801762E-02 0.1478552E+03 3.8337 13 Na+ 0.2826641E-01 0.3031935E-01 0.6932787E+03 4.7071 14 Mn++ 0.7602960E-10 0.2803679E-08 0.1531983E-03 2.0959 15 Zn++ 0.4286661E-14 0.1565437E-07 0.1017811E-02 -2.1545 16 Cu+ 0.1359000E-11 0.6340067E-07 0.4006765E-02 -5.6111 17 Pb++ 0.4269196E-13 0.1135709E-07 0.2340393E-02 -1.1448 18 Hg++ 0.6788874E-32 0.1198921E-08 0.2391953E-03 -19.9458 19 F- 0.2078646E-03 0.2494077E-03 0.4712707E+01 2.5677 Component Tot moles Aq. moles Solid moles Gas moles 1 H+ 0.1822172E+00 0.5697836E-01 -.3514600E-07 0.1252389E+00 2 H2O 0.5550825E+02 0.5419836E+02 -.7943366E-04 0.1309972E+01 3 Cl- 0.3072017E-01 0.3072017E-01 0.0000000E+00 0.1724915E-08 4 SO4-- -.4257700E-02 -.5098027E-03 0.5108162E-10 -.3747897E-02 5 HCO3- 0.1832100E+00 0.5648648E-01 0.0000000E+00 0.1267235E+00 6 HS- 0.9985820E-02 0.3974795E-02 0.7662243E-09 0.6011024E-02 7 H4SiO4 0.7855346E-02 0.7815616E-02 0.3972977E-04 0.0000000E+00 8 Al+++ 0.2253680E-05 0.2249332E-05 0.4348554E-08 0.0000000E+00 9 Ca++ 0.3561400E-04 0.3561400E-04 0.0000000E+00 0.0000000E+00 10 Mg++ 0.2355503E-06 0.2261217E-06 0.9428566E-08 0.0000000E+00 11 Fe++ 0.8017372E-08 0.6166114E-08 0.1851258E-08 0.0000000E+00 12 K+ 0.3715700E-02 0.3715700E-02 0.0000000E+00 0.0000000E+00 13 Na+ 0.2963300E-01 0.2963300E-01 0.0000000E+00 0.0000000E+00 14 Mn++ 0.2740424E-08 0.2740211E-08 0.2127998E-12 0.0000000E+00 15 Zn++ 0.1530000E-07 0.1530000E-07 0.0000000E+00 0.0000000E+00 16 Cu+ 0.6237410E-07 0.6196545E-07 0.4086530E-09 0.0000000E+00 17 Pb++ 0.1110000E-07 0.1110000E-07 0.0000000E+00 0.0000000E+00 18 Hg++ 0.4000000E-08 0.1171781E-08 0.0000000E+00 0.2828219E-08 19 F- 0.2439100E-03 0.2437617E-03 0.0000000E+00 0.1482613E-06 Chg. balance for solid moles: 0.3572E-16 Mass of aqueous solution: 0.982659E+03 g Temperature = 272.00 C Pressure = 61.79 bar Mixer frac. = 0.0000000 Log Log Vol Gas or mineral Moles Moles Grams Grams Wt.% (cm3) H2O,gas 1.428 0.155 25.72 1.410 82.21 790.6 CO2,gas 0.1234 -0.909 5.432 0.735 17.36 98.41 CH4,gas 0.3300E-02 -2.481 0.5293E-01 -1.276 0.1692 2.941 H2,gas 0.1788E-02 -2.748 0.3611E-02 -2.442 0.1154E-01 1.341 H2S,gas 0.2263E-02 -2.645 0.7713E-01 -1.113 0.2465 1.542 CO,gas 0.3033E-05 -5.518 0.8495E-04 -4.071 0.2715E-03 0.2225E-02 SO2,gas 0.2646E-12 -12.577 0.1695E-10 -10.771 0.5418E-10 0.1941E-09 HF,gas 0.1483E-06 -6.829 0.2965E-05 -5.528 0.9477E-05 0.1088E-03 HCl,gas 0.1725E-08 -8.763 0.6289E-07 -7.201 0.2010E-06 0.1265E-05 Hg,gas 0.2828E-08 -8.548 0.5673E-06 -6.246 0.1813E-05 0.2075E-05 quartz 0.3972E-04 -4.401 0.2387E-02 -2.622 99.94 0.9013E-03 chalcopyrite 0.4087E-09 -9.389 0.7499E-07 -7.125 0.3140E-02 0.1750E-07 clinochlore 0.1886E-08 -8.725 0.1048E-05 -5.980 0.4389E-01 0.3987E-06 daphnite 0.2885E-09 -9.540 0.2059E-06 -6.686 0.8621E-02 0.6238E-07 chlorite-Mn 0.4256E-13 -13.371 0.3017E-10 -10.520 0.1264E-05 0.9616E-11 Partial press. Fugacity coef Log fugacity Gas or Mineral Mole fraction or activity Activity coef Log activity H2O,gas 0.9161E+00 0.5661E+02 0.8126 1.663 CO2,gas 0.7916E-01 0.4891E+01 0.9741 0.678 CH4,gas 0.2117E-02 0.1308E+00 1.1772 -0.813 H2,gas 0.1147E-02 0.7086E-01 1.0226 -1.140 H2S,gas 0.1452E-02 0.8969E-01 0.9277 -1.080 CO,gas 0.1945E-05 0.1202E-03 1.0000 -3.920 SO2,gas 0.1697E-12 0.1049E-10 1.0000 -10.979 HF,gas 0.9510E-07 0.5876E-05 1.0000 -5.231 HCl,gas 0.1106E-08 0.6836E-07 1.0000 -7.165 Hg,gas 0.1814E-08 0.1121E-06 1.0000 -6.950 quartz 0.1000E+01 0.1000E+01 1.0000 0.000 chalcopyrite 0.1000E+01 0.1000E+01 1.0000 0.000 clinochlore 0.8673E+00 0.8673E+00 1.0000 -0.062 daphnite 0.1327E+00 0.1327E+00 1.0000 -0.877 chlorite-Mn 0.1957E-04 0.1957E-04 1.0000 -4.708 Current weight percent of gas: 3.085880 % Solid products produced: Mass = 0.002388 g Volume = 0.000902 cm3 WARNING: mineral volume may be in error because some mineral densities were not supplied in SOLTHERM. See mineral list in file Skip_Species.txt. NON-Ideal mixing with H2O, CO2, CH4 Gases ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ The following gases and minerals are presently in matrix or were just added Gas or Mineral Log K Log Q Log(Q/K) Log(Q/K)/S Affinity Log Fugacity 1 H2O,gas 0.13 0.13 -0.00 -0.000 0.77372E-09 2 CO2,gas -8.17 -8.17 0.00 0.000 -0.28802E-09 3 CH4,gas 5.10 5.10 0.00 0.000 -0.70455E-09 4 H2,gas 5.88 5.88 0.00 0.000 -0.73114E-10 5 H2S,gas -7.10 -7.10 -0.00 -0.000 0.22377E-09 6 CO,gas -0.63 -0.63 -0.00 -0.000 0.27695E-11 7 SO2,gas -6.04 -6.04 -0.00 -0.000 0.66467E-11 8 HF,gas -3.25 -3.25 0.00 0.000 -0.22156E-11 9 HCl,gas 0.84 0.84 -0.00 -0.000 0.77545E-11 10 Hg,gas -8.26 -8.26 0.00 0.000 -0.17725E-10 43 clinochlore 13.00 13.00 0.00 0.000 -0.48743E-10 44 daphnite 5.49 5.49 0.00 0.000 -0.50958E-10 45 chlorite-Mn 21.25 21.25 0.00 0.000 -0.62036E-10 146 quartz -2.10 -2.10 0.00 0.000 0.00000E+00 242 chalcopyrite -24.26 -24.26 0.00 0.000 0.00000E+00 198 bornite -66.68 -66.65 0.03 0.002 -0.73675E+02 The following gases and minerals are presently EXCLUDED from matrix (Gases and minerals with log(Q/K) less than -5 are not listed below) Gas or Mineral Log K Log Q Log(Q/K) Log(Q/K)/S Affinity Log Fugacity 11 acmite 4.60 1.81 -2.79 -0.290 0.69529E+04 15 albite-high -3.73 -4.82 -1.09 -0.084 0.27173E+04 16 albite -4.19 -4.82 -0.63 -0.048 0.15718E+04 20 analcite -1.34 -2.72 -1.38 -0.154 0.34469E+04 21 andalusite -6.03 -8.57 -2.54 -0.254 0.63383E+04 22 andradite 21.58 18.03 -3.56 -0.185 0.88689E+04 23 grossular 11.76 8.95 -2.81 -0.140 0.70023E+04 25 ankerite -6.73 -8.56 -1.83 -0.305 0.45592E+04 26 annite 6.04 2.63 -3.41 -0.190 0.85089E+04 27 phlogopite 11.18 9.58 -1.60 -0.089 0.39862E+04 29 anorthite -1.85 -3.43 -1.58 -0.122 0.39511E+04 32 aragonite -1.51 -2.05 -0.53 -0.178 0.13328E+04 33 brucite 7.81 5.09 -2.72 -0.545 0.67923E+04 34 calcite -1.66 -2.05 -0.38 -0.128 0.95788E+03 35 carnegieite-low 2.43 -0.63 -3.06 -0.437 0.76354E+04 36 carnegieite-high 2.91 -0.63 -3.54 -0.506 0.88322E+04 37 carpholite-Mg -3.39 -5.58 -2.19 -0.146 0.54680E+04 38 carpholite-Fe -4.79 -7.89 -3.11 -0.207 0.77509E+04 39 celadonite -0.29 -2.70 -2.41 -0.142 0.60098E+04 40 celadonite-Fe -1.56 -5.02 -3.45 -0.203 0.86172E+04 41 chrysotile 13.41 11.08 -2.33 -0.194 0.58086E+04 46 chlorite-Al-free 26.57 22.16 -4.41 -0.184 0.11010E+05 47 chloritoid-Mg -0.95 -3.48 -2.53 -0.169 0.63209E+04 48 chloritoid-Fe -3.64 -5.80 -2.16 -0.144 0.53796E+04 51 coesite -1.65 -2.10 -0.44 -0.148 0.11056E+04 56 corundum -3.66 -6.47 -2.82 -0.256 0.70232E+04 58 cristobalite -1.90 -2.10 -0.19 -0.064 0.48045E+03 61 cymrite-K -2.17 -5.70 -3.53 -0.294 0.88067E+04 63 diaspore -2.15 -3.24 -1.09 -0.182 0.27166E+04 64 diamond -1.79 -3.39 -1.61 -0.460 0.40147E+04 65 diopside 8.92 8.14 -0.79 -0.079 0.19678E+04 66 hedenbergite 7.43 5.82 -1.61 -0.161 0.40075E+04 67 dolomite,ordered -4.76 -6.24 -1.49 -0.248 0.37087E+04 68 eastonite 4.23 0.11 -4.12 -0.158 0.10271E+05 69 enstatite 8.67 5.99 -2.68 -0.268 0.66778E+04 70 clinoenstatite-HiP 9.42 5.99 -3.44 -0.344 0.85710E+04 71 clinoenstatite 8.60 5.99 -2.61 -0.261 0.65225E+04 72 protoenstatite 8.97 5.99 -2.99 -0.299 0.74482E+04 73 epidote 4.83 3.01 -1.82 -0.088 0.45399E+04 74 clinozoisite 0.59 -1.52 -2.12 -0.096 0.52814E+04 75 epidote-Fe 11.42 7.55 -3.86 -0.201 0.96362E+04 76 fayalite 6.29 3.45 -2.84 -0.406 0.70898E+04 77 ferrosilite 4.31 1.35 -2.96 -0.296 0.73715E+04 78 forsterite 11.24 8.09 -3.15 -0.450 0.78654E+04 81 gibbsite -0.75 -3.24 -2.48 -0.355 0.61924E+04 82 glaucophane 5.35 1.44 -3.91 -0.106 0.97569E+04 84 goethite 3.05 1.30 -1.75 -0.378 0.43622E+04 85 graphite -2.16 -3.39 -1.24 -0.353 0.30846E+04 86 greenalite 7.76 4.13 -3.63 -0.303 0.90650E+04 88 halite 0.75 -3.41 -4.16 -2.078 0.10365E+05 89 hematite 5.14 2.60 -2.54 -0.307 0.63242E+04 90 heulandite -12.87 -13.92 -1.05 -0.048 0.26135E+04 91 hercynite 0.67 -3.70 -4.37 -0.291 0.10897E+05 94 jadeite -0.47 -2.72 -2.25 -0.225 0.56232E+04 96 kalsilite 1.64 -1.50 -3.14 -0.449 0.78400E+04 97 kaolinite -8.61 -10.67 -2.06 -0.187 0.51395E+04 98 kyanite -5.96 -8.57 -2.61 -0.261 0.65079E+04 100 laumontite -6.25 -7.63 -1.37 -0.091 0.34236E+04 101 lawsonite -1.61 -3.43 -1.82 -0.121 0.45453E+04 102 leucite -1.09 -3.60 -2.51 -0.251 0.62641E+04 104 lizardite 13.19 11.08 -2.11 -0.176 0.52585E+04 105 magnesite -2.47 -4.20 -1.72 -0.574 0.42951E+04 106 magnetite 8.59 5.38 -3.21 -0.262 0.80006E+04 107 minnesotaite 2.99 -0.07 -3.06 -0.180 0.76270E+04 108 minnesotaite-Mg 10.32 6.88 -3.43 -0.202 0.85672E+04 112 margarite -6.88 -9.90 -3.02 -0.121 0.75315E+04 115 microcline -5.26 -5.70 -0.43 -0.033 0.10814E+04 116 monticellite 14.44 10.23 -4.21 -0.601 0.10497E+05 118 mullite-Si -4.63 -8.57 -3.95 -0.395 0.98412E+04 119 muscovite -10.27 -12.17 -1.90 -0.112 0.47421E+04 120 paragonite -9.36 -11.30 -1.94 -0.114 0.48370E+04 121 nepheline 1.94 -0.63 -2.56 -0.366 0.63913E+04 126 periclase 9.50 5.09 -4.41 -1.103 0.11005E+05 127 periclase-Fe 6.26 2.77 -3.49 -0.872 0.86970E+04 133 phlogopite-Na 12.59 10.45 -2.14 -0.119 0.53430E+04 135 prehnite 3.29 1.71 -1.58 -0.093 0.39432E+04 136 prehnite-Fe 8.25 6.25 -2.00 -0.120 0.49932E+04 137 pumpellyite-Fe 7.62 2.96 -4.66 -0.103 0.11612E+05 138 pumpellyite-Mg 9.55 5.28 -4.28 -0.095 0.10669E+05 140 px-Ca-tschermaks 2.65 -1.33 -3.98 -0.284 0.99313E+04 141 pyrite -19.76 -20.12 -0.36 -0.085 0.89897E+03 142 pyrrhotite -6.24 -7.20 -0.96 -0.320 0.23948E+04 143 pyrrhotiteFe0.875 -7.33 -7.91 -0.58 -0.215 0.14553E+04 144 pyroxmangite 4.05 -0.00 -4.05 -0.810 0.10101E+05 145 pyrophyllite -12.81 -14.86 -2.05 -0.128 0.51161E+04 149 ringwoodite-Fe 7.47 3.45 -4.02 -0.574 0.10023E+05 151 rhodochrosite -3.03 -7.19 -4.16 -1.387 0.10377E+05 152 rhodonite 4.06 -0.00 -4.06 -0.812 0.10132E+05 153 sanidine -4.43 -5.70 -1.26 -0.097 0.31479E+04 155 siderite -4.80 -6.51 -1.72 -0.572 0.42794E+04 156 sillimanite -5.89 -8.57 -2.68 -0.268 0.66738E+04 158 spinel 3.28 -1.38 -4.67 -0.311 0.11637E+05 163 stilbite -11.48 -13.92 -2.44 -0.116 0.60876E+04 164 stilpnomelane-Fe -3.87 -7.46 -3.59 -0.107 0.89551E+04 165 stilpnomelane-Mg 5.42 4.12 -1.30 -0.039 0.32506E+04 166 stishovite 2.09 -2.10 -4.19 -1.395 0.10443E+05 168 sudoite -4.62 -9.06 -4.44 -0.143 0.11078E+05 169 sulfur -8.92 -12.92 -4.00 -1.230 0.99748E+04 171 talc 7.58 6.88 -0.70 -0.041 0.17467E+04 173 talc-tschermaks 1.31 -2.58 -3.90 -0.229 0.97182E+04 178 topaz-H -5.02 -8.57 -3.55 -0.323 0.88502E+04 179 tridymite -1.93 -2.10 -0.17 -0.057 0.42523E+03 180 tremolite 24.63 23.15 -1.48 -0.040 0.36852E+04 182 troilite-low -6.25 -7.20 -0.95 -0.316 0.23634E+04 183 tschermakite 9.09 4.22 -4.87 -0.131 0.12137E+05 186 wadsleyite-Fe 7.49 3.45 -4.04 -0.578 0.10084E+05 188 wairakite -6.82 -7.62 -0.81 -0.047 0.20086E+04 189 walstromite 7.19 5.14 -2.05 -0.410 0.51156E+04 190 wollastonite 6.49 5.14 -1.35 -0.270 0.33666E+04 191 pseudo-wollastonite 6.78 5.14 -1.64 -0.328 0.40941E+04 192 zoisite 0.62 -1.52 -2.15 -0.098 0.53529E+04 193 beidellite-Ca -11.42 -14.04 -2.62 -0.162 0.65351E+04 194 beidellite-H -11.70 -15.24 -3.54 -0.226 0.88310E+04 195 beidellite-K -10.75 -13.97 -3.23 -0.198 0.80516E+04 196 beidellite-Mg -11.67 -14.40 -2.72 -0.169 0.67975E+04 197 beidellite-Na -10.70 -13.69 -2.98 -0.183 0.74372E+04 200 chalcedony -1.97 -2.10 -0.13 -0.043 0.31890E+03 201 chalcocite -19.61 -21.20 -1.58 -0.396 0.39469E+04 202 covellite -14.98 -17.06 -2.08 -0.792 0.51836E+04 204 montmorillonite-Ca -9.31 -10.92 -1.61 -0.100 0.40184E+04 205 montmorillonite-K -8.77 -10.85 -2.08 -0.127 0.51920E+04 206 montmorillonite-Mg -9.58 -11.27 -1.70 -0.105 0.42333E+04 207 montmorillonite-Na -8.62 -10.56 -1.94 -0.119 0.48332E+04 209 nontronite-Ca -2.14 -4.97 -2.83 -0.183 0.70548E+04 210 nontronite-H -2.42 -6.16 -3.74 -0.251 0.93382E+04 211 nontronite-K -1.46 -4.90 -3.44 -0.220 0.85689E+04 212 nontronite-Mg -2.39 -5.32 -2.94 -0.190 0.73248E+04 213 nontronite-Na -1.42 -4.61 -3.19 -0.205 0.79574E+04 215 topaz -25.09 -29.11 -4.01 -0.446 0.10012E+05 229 tobermorite 7.94 3.93 -4.01 -1.093 0.99959E+04 235 alabandite -3.54 -7.88 -4.33 -1.445 0.10811E+05 240 boehmite -1.36 -3.24 -1.88 -0.313 0.46792E+04 245 copper,native -0.73 -4.14 -3.41 -1.186 0.85090E+04 246 dolomite,disordered -4.47 -6.24 -1.77 -0.295 0.44147E+04 247 ferrous-oxide 4.96 2.77 -2.18 -0.546 0.54468E+04 248 fluorite -12.00 -13.30 -1.29 -0.431 0.32288E+04 249 galena -10.07 -11.12 -1.05 -0.350 0.26177E+04 257 silica-amorphous -1.64 -2.10 -0.46 -0.153 0.11484E+04 260 sphalerite -10.27 -12.13 -1.86 -0.620 0.46389E+04 261 wurtzite -9.02 -12.13 -3.11 -1.036 0.77545E+04 263 an20ab80 -3.94 -4.54 -0.60 -0.046 0.15064E+04 264 an25ab75 -3.85 -4.47 -0.62 -0.048 0.15578E+04 265 an30ab70 -3.75 -4.40 -0.65 -0.050 0.16247E+04 266 tr.625ac.25prg.125 20.27 19.52 -0.75 -0.020 0.18763E+04 271 FeS-amorphous -4.33 -7.20 -2.87 -0.955 0.71498E+04 ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ Test file for CHIM-XPT. Boil Broadlands Water Water similar to Broadlands Well No. 2 CHIMRUN demo-2a ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ Number of loops used = 8 Loop limit = 200 Temperature = 272.00 C Pressure = 61.79 bar Mixer fraction = 0.0000000 Total current enthalpy = 296.5306 KCAL Water: Moles liquid = 0.5425E+02 kg liquid = 0.9774E+00 Moles total = 0.5551E+02 kg total = 0.1000E+01 Activity = 0.9989 Stoichiometric ionic strength = .6293438E-01 Osmotic coef. = 0.8741 True ionic strength = .3207600E-01 Chg. balance for total moles = 0.2402E-07 Max. difference allowed = 0.3072E-05 Log Log Log Species(n) Molality Molality Activity Activity Gamma Gamma 1 H+ 0.54623E-06 -6.2626 0.38151E-06 -6.4185 0.69844E+00 -0.1559 2 H2O 0.99894E+00 -0.0005 0.99894E+00 -0.0005 3 Cl- 0.29451E-01 -1.5309 0.20240E-01 -1.6938 0.68725E+00 -0.1629 4 SO4-- 0.48517E-08 -8.3141 0.12009E-08 -8.9205 0.24753E+00 -0.6064 5 HCO3- 0.19551E-02 -2.7088 0.13529E-02 -2.8687 0.69201E+00 -0.1599 6 HS- 0.40474E-03 -3.3928 0.27837E-03 -3.5554 0.68776E+00 -0.1626 7 H4SiO4 0.79729E-02 -2.0984 0.79729E-02 -2.0984 0.10000E+01 0.0000 8 Al+++ 0.76394E-21 -21.1169 0.32263E-22 -22.4913 0.42233E-01 -1.3744 9 Ca++ 0.10460E-04 -4.9805 0.25248E-05 -5.5978 0.24138E+00 -0.6173 10 Mg++ 0.75781E-07 -7.1204 0.17940E-07 -7.7462 0.23674E+00 -0.6257 11 Fe++ 0.37101E-09 -9.4306 0.88258E-10 -10.0542 0.23788E+00 -0.6236 12 K+ 0.37518E-02 -2.4258 0.26013E-02 -2.5848 0.69335E+00 -0.1590 13 Na+ 0.28266E-01 -1.5487 0.19436E-01 -1.7114 0.68760E+00 -0.1627 14 Mn++ 0.76029E-10 -10.1190 0.18151E-10 -10.7411 0.23873E+00 -0.6221 15 Zn++ 0.42867E-14 -14.3679 0.10197E-14 -14.9915 0.23788E+00 -0.6236 16 Cu+ 0.13361E-11 -11.8742 0.91847E-12 -12.0369 0.68743E+00 -0.1628 17 Pb++ 0.42692E-13 -13.3697 0.10428E-13 -13.9818 0.24425E+00 -0.6122 18 Hg++ 0.67889E-32 -32.1682 0.16490E-32 -32.7828 0.24289E+00 -0.6146 19 F- 0.20786E-03 -3.6822 0.14100E-03 -3.8508 0.67830E+00 -0.1686 21 HSiO3- 0.19191E-04 -4.7169 0.13189E-04 -4.8798 0.68725E+00 -0.1629 22 Ca(HSiO3)+ 0.66796E-07 -7.1753 0.46354E-07 -7.3339 0.69396E+00 -0.1587 23 Mg(HSiO3)+ 0.30477E-09 -9.5160 0.21150E-09 -9.6747 0.69396E+00 -0.1587 24 NaHSiO3,aq 0.44696E-05 -5.3497 0.44696E-05 -5.3497 0.10000E+01 0.0000 27 HAlO2,aq 0.11297E-07 -7.9470 0.11297E-07 -7.9470 0.10000E+01 0.0000 28 AlO2- 0.20814E-05 -5.6816 0.14148E-05 -5.8493 0.67972E+00 -0.1677 29 CH4,aq 0.46574E-03 -3.3319 0.45760E-03 -3.3395 0.98251E+00 -0.0077 30 C2H6,aq 0.23898E-09 -9.6216 0.23480E-09 -9.6293 0.98251E+00 -0.0077 34 CO,aq 0.51582E-06 -6.2875 0.51582E-06 -6.2875 0.10000E+01 0.0000 35 CO2,aq 0.55264E-01 -1.2576 0.54298E-01 -1.2652 0.98251E+00 -0.0077 36 CO3-2 0.11335E-06 -6.9456 0.27828E-07 -7.5555 0.24551E+00 -0.6099 37 CaCO3,aq 0.40504E-06 -6.3925 0.40504E-06 -6.3925 0.10000E+01 0.0000 38 Ca(HCO3)+ 0.11255E-04 -4.9486 0.78107E-05 -5.1073 0.69396E+00 -0.1587 39 CaCl+ 0.11683E-04 -4.9325 0.81072E-05 -5.0911 0.69396E+00 -0.1587 40 CaCl2,aq 0.21926E-06 -6.6590 0.21926E-06 -6.6590 0.10000E+01 0.0000 41 CaF+ 0.87610E-06 -6.0574 0.60798E-06 -6.2161 0.69396E+00 -0.1587 42 CaOH+ 0.14741E-05 -5.8315 0.10229E-05 -5.9901 0.69396E+00 -0.1587 43 CaSO4,aq 0.10796E-09 -9.9667 0.10796E-09 -9.9667 0.10000E+01 0.0000 44 HCl,aq 0.38093E-07 -7.4192 0.38093E-07 -7.4192 0.10000E+01 0.0000 53 CuCl,aq 0.23886E-09 -9.6219 0.23886E-09 -9.6219 0.10000E+01 0.0000 54 CuCl2- 0.16201E-09 -9.7905 0.11134E-09 -9.9534 0.68725E+00 -0.1629 61 HF,aq 0.28498E-04 -4.5452 0.28498E-04 -4.5452 0.10000E+01 0.0000 62 HF2- 0.16978E-08 -8.7701 0.11668E-08 -8.9330 0.68725E+00 -0.1629 64 FeCl+ 0.25238E-09 -9.5979 0.17514E-09 -9.7566 0.69396E+00 -0.1587 65 FeCl2,aq 0.32747E-10 -10.4848 0.32747E-10 -10.4848 0.10000E+01 0.0000 67 FeF+ 0.38474E-10 -10.4148 0.26699E-10 -10.5735 0.69396E+00 -0.1587 69 FeO,aq 0.24296E-08 -8.6145 0.24296E-08 -8.6145 0.10000E+01 0.0000 70 FeOH+ 0.25083E-08 -8.6006 0.17406E-08 -8.7593 0.69396E+00 -0.1587 71 HFeO2- 0.31759E-09 -9.4981 0.21826E-09 -9.6610 0.68725E+00 -0.1629 74 FeO2- 0.30141E-09 -9.5208 0.20715E-09 -9.6837 0.68725E+00 -0.1629 75 HFeO2,aq 0.16509E-09 -9.7823 0.16509E-09 -9.7823 0.10000E+01 0.0000 76 H2,aq 0.22299E-03 -3.6517 0.21909E-03 -3.6594 0.98251E+00 -0.0077 77 Hg,aq 0.11789E-08 -8.9285 0.11583E-08 -8.9362 0.98251E+00 -0.0077 90 KCl,aq 0.49694E-04 -4.3037 0.49694E-04 -4.3037 0.10000E+01 0.0000 92 KOH,aq 0.25533E-06 -6.5929 0.25533E-06 -6.5929 0.10000E+01 0.0000 93 KSO4- 0.22108E-08 -8.6555 0.15193E-08 -8.8183 0.68725E+00 -0.1629 94 MgCO3,aq 0.29253E-09 -9.5338 0.29253E-09 -9.5338 0.10000E+01 0.0000 95 Mg(HCO3)+ 0.69999E-07 -7.1549 0.48577E-07 -7.3136 0.69396E+00 -0.1587 96 MgCl+ 0.36564E-07 -7.4369 0.25374E-07 -7.5956 0.69396E+00 -0.1587 97 MgF+ 0.16234E-07 -7.7896 0.11266E-07 -7.9482 0.69396E+00 -0.1587 98 MgOH+ 0.31588E-07 -7.5005 0.21921E-07 -7.6591 0.69396E+00 -0.1587 101 MnO,aq 0.14275E-10 -10.8454 0.14275E-10 -10.8454 0.10000E+01 0.0000 102 MnOH+ 0.78841E-10 -10.1032 0.54713E-10 -10.2619 0.69396E+00 -0.1587 107 MnCl+ 0.12177E-08 -8.9145 0.84504E-09 -9.0731 0.69396E+00 -0.1587 109 NaCl,aq 0.19187E-02 -2.7170 0.19187E-02 -2.7170 0.10000E+01 0.0000 110 NaF,aq 0.11380E-04 -4.9439 0.11380E-04 -4.9439 0.10000E+01 0.0000 111 NaOH,aq 0.11936E-05 -5.9231 0.11936E-05 -5.9231 0.10000E+01 0.0000 113 OH- 0.24764E-04 -4.6062 0.16832E-04 -4.7739 0.67972E+00 -0.1677 124 Pb(HS)2,aq 0.11035E-07 -7.9572 0.11035E-07 -7.9572 0.10000E+01 0.0000 125 Pb(HS)3- 0.23071E-09 -9.6369 0.15855E-09 -9.7998 0.68725E+00 -0.1629 126 H2S,aq 0.31203E-02 -2.5058 0.30657E-02 -2.5135 0.98251E+00 -0.0077 127 S2-2 0.91939E-10 -10.0365 0.22572E-10 -10.6464 0.24551E+00 -0.6099 134 HSO3- 0.20868E-10 -10.6805 0.14341E-10 -10.8434 0.68725E+00 -0.1629 135 HSO4- 0.29127E-09 -9.5357 0.20277E-09 -9.6930 0.69616E+00 -0.1573 149 ZnCl+ 0.10119E-10 -10.9949 0.70220E-11 -11.1535 0.69396E+00 -0.1587 154 ZnOH+ 0.47387E-10 -10.3243 0.32885E-10 -10.4830 0.69396E+00 -0.1587 158 AlF2+ 0.49168E-09 -9.3083 0.34121E-09 -9.4670 0.69396E+00 -0.1587 159 AlF3,aq 0.66526E-07 -7.1770 0.66526E-07 -7.1770 0.10000E+01 0.0000 160 AlF4- 0.13893E-06 -6.8572 0.95479E-07 -7.0201 0.68725E+00 -0.1629 161 AlF5-- 0.24841E-08 -8.6048 0.60985E-09 -9.2148 0.24551E+00 -0.6099 164 Cu(HS)2- 0.61853E-07 -7.2086 0.42508E-07 -7.3715 0.68725E+00 -0.1629 165 CuH4S3-a 0.30739E-10 -10.5123 0.21125E-10 -10.6752 0.68725E+00 -0.1629 166 CuH4S3-b 0.45990E-10 -10.3373 0.31607E-10 -10.5002 0.68725E+00 -0.1629 177 HgH4S3,aq 0.16601E-10 -10.7799 0.16601E-10 -10.7799 0.10000E+01 0.0000 180 MnCl2,aq 0.12389E-08 -8.9070 0.12389E-08 -8.9070 0.10000E+01 0.0000 181 MnCl3- 0.16739E-09 -9.7763 0.11504E-09 -9.9392 0.68725E+00 -0.1629 183 NaCO3- 0.37220E-07 -7.4292 0.25579E-07 -7.5921 0.68725E+00 -0.1629 184 NaHCO3,aq 0.97190E-04 -4.0124 0.97190E-04 -4.0124 0.10000E+01 0.0000 185 NaHS,aq 0.19997E-04 -4.6990 0.19997E-04 -4.6990 0.10000E+01 0.0000 186 NaSO4- 0.29583E-08 -8.5290 0.20331E-08 -8.6918 0.68725E+00 -0.1629 187 PbCO3,aq 0.20526E-10 -10.6877 0.20526E-10 -10.6877 0.10000E+01 0.0000 188 PbOH+ 0.29167E-10 -10.5351 0.20241E-10 -10.6938 0.69396E+00 -0.1587 189 PbH4S3,aq 0.35427E-10 -10.4507 0.35427E-10 -10.4507 0.10000E+01 0.0000 193 Zn(HS)2,aq 0.15444E-07 -7.8112 0.15444E-07 -7.8112 0.10000E+01 0.0000 194 Zn(HS)3- 0.15017E-09 -9.8234 0.10320E-09 -9.9863 0.68725E+00 -0.1629 Charge balance for all species = 0.2458E-07 Component Molality Aq.molality ppm log[A(N)/A(H+)**Z] (total) 1 H+ 0.5462316E-06 0.5829807E-01 0.5844423E+02 0.0000 2 H2O 0.1000000E+01 0.5545368E+02 0.9936300E+06 0.0000 3 Cl- 0.2945113E-01 0.3143169E-01 0.1108341E+04 4.7247 4 SO4-- 0.4851657E-08 -.5216105E-03 -.4983667E+02 3.9165 5 HCO3- 0.1955064E-02 0.5779480E-01 0.3507469E+04 3.5498 6 HS- 0.4047441E-03 0.4066857E-02 0.1337741E+03 2.8631 7 H4SiO4 0.7972911E-02 0.7996638E-02 0.7644573E+03 -2.0984 8 Al+++ 0.7639410E-21 0.2301144E-05 0.6175364E-01 -3.2358 9 Ca++ 0.1045985E-04 0.3643888E-04 0.1452526E+01 7.2392 10 Mg++ 0.7578075E-07 0.2307654E-06 0.5580127E-02 5.0908 11 Fe++ 0.3710130E-09 0.6417107E-08 0.3564445E-03 2.7827 12 K+ 0.3751810E-02 0.3801762E-02 0.1478552E+03 3.8337 13 Na+ 0.2826641E-01 0.3031935E-01 0.6932787E+03 4.7071 14 Mn++ 0.7602922E-10 0.2803665E-08 0.1531975E-03 2.0959 15 Zn++ 0.4286657E-14 0.1565437E-07 0.1017811E-02 -2.1545 16 Cu+ 0.1336090E-11 0.6233190E-07 0.3939221E-02 -5.6184 17 Pb++ 0.4269192E-13 0.1135709E-07 0.2340393E-02 -1.1448 18 Hg++ 0.6788872E-32 0.1198921E-08 0.2391953E-03 -19.9458 19 F- 0.2078647E-03 0.2494077E-03 0.4712707E+01 2.5677 Component Tot moles Aq. moles Solid moles Gas moles 1 H+ 0.1822172E+00 0.5697836E-01 -.3782181E-07 0.1252389E+00 2 H2O 0.5550825E+02 0.5419836E+02 -.7943187E-04 0.1309972E+01 3 Cl- 0.3072017E-01 0.3072017E-01 0.0000000E+00 0.1724915E-08 4 SO4-- -.4257700E-02 -.5098027E-03 0.2298495E-10 -.3747897E-02 5 HCO3- 0.1832100E+00 0.5648648E-01 0.0000000E+00 0.1267235E+00 6 HS- 0.9985820E-02 0.3974794E-02 0.9794477E-09 0.6011024E-02 7 H4SiO4 0.7855346E-02 0.7815616E-02 0.3972977E-04 0.0000000E+00 8 Al+++ 0.2253680E-05 0.2249052E-05 0.4628280E-08 0.0000000E+00 9 Ca++ 0.3561400E-04 0.3561400E-04 0.0000000E+00 0.0000000E+00 10 Mg++ 0.2355503E-06 0.2255415E-06 0.1000882E-07 0.0000000E+00 11 Fe++ 0.8017372E-08 0.6271841E-08 0.1745531E-08 0.0000000E+00 12 K+ 0.3715700E-02 0.3715700E-02 0.0000000E+00 0.0000000E+00 13 Na+ 0.2963300E-01 0.2963300E-01 0.0000000E+00 0.0000000E+00 14 Mn++ 0.2740424E-08 0.2740197E-08 0.2264761E-12 0.0000000E+00 15 Zn++ 0.1530000E-07 0.1530000E-07 0.0000000E+00 0.0000000E+00 16 Cu+ 0.6237410E-07 0.6092087E-07 0.1453226E-08 0.0000000E+00 17 Pb++ 0.1110000E-07 0.1110000E-07 0.0000000E+00 0.0000000E+00 18 Hg++ 0.4000000E-08 0.1171781E-08 0.0000000E+00 0.2828219E-08 19 F- 0.2439100E-03 0.2437617E-03 0.0000000E+00 0.1482613E-06 Chg. balance for solid moles: 0.2215E-16 Mass of aqueous solution: 0.982659E+03 g Temperature = 272.00 C Pressure = 61.79 bar Mixer frac. = 0.0000000 Log Log Vol Gas or mineral Moles Moles Grams Grams Wt.% (cm3) H2O,gas 1.428 0.155 25.72 1.410 82.21 790.6 CO2,gas 0.1234 -0.909 5.432 0.735 17.36 98.41 CH4,gas 0.3300E-02 -2.481 0.5293E-01 -1.276 0.1692 2.941 H2,gas 0.1788E-02 -2.748 0.3611E-02 -2.442 0.1154E-01 1.341 H2S,gas 0.2263E-02 -2.645 0.7713E-01 -1.113 0.2465 1.542 CO,gas 0.3033E-05 -5.518 0.8495E-04 -4.071 0.2715E-03 0.2225E-02 SO2,gas 0.2646E-12 -12.577 0.1695E-10 -10.771 0.5418E-10 0.1941E-09 HF,gas 0.1483E-06 -6.829 0.2965E-05 -5.528 0.9477E-05 0.1088E-03 HCl,gas 0.1725E-08 -8.763 0.6289E-07 -7.201 0.2010E-06 0.1265E-05 Hg,gas 0.2828E-08 -8.548 0.5673E-06 -6.246 0.1813E-05 0.2075E-05 clinochlore 0.2002E-08 -8.699 0.1113E-05 -5.954 0.4659E-01 0.4232E-06 daphnite 0.3123E-09 -9.505 0.2229E-06 -6.652 0.9332E-02 0.6753E-07 chlorite-Mn 0.4530E-13 -13.344 0.3211E-10 -10.493 0.1345E-05 0.1023E-10 quartz 0.3972E-04 -4.401 0.2387E-02 -2.622 99.94 0.9013E-03 chalcopyrite -.1335E-09 1.000 -.2449E-07 1.000 -.1026E-02 -.5716E-08 bornite 0.3173E-09 -9.498 0.1592E-06 -6.798 0.6668E-02 0.3133E-07 Partial press. Fugacity coef Log fugacity Gas or Mineral Mole fraction or activity Activity coef Log activity H2O,gas 0.9161E+00 0.5661E+02 0.8126 1.663 CO2,gas 0.7916E-01 0.4891E+01 0.9741 0.678 CH4,gas 0.2117E-02 0.1308E+00 1.1772 -0.813 H2,gas 0.1147E-02 0.7086E-01 1.0226 -1.140 H2S,gas 0.1452E-02 0.8969E-01 0.9277 -1.080 CO,gas 0.1945E-05 0.1202E-03 1.0000 -3.920 SO2,gas 0.1697E-12 0.1049E-10 1.0000 -10.979 HF,gas 0.9510E-07 0.5876E-05 1.0000 -5.231 HCl,gas 0.1106E-08 0.6836E-07 1.0000 -7.165 Hg,gas 0.1814E-08 0.1121E-06 1.0000 -6.950 clinochlore 0.8650E+00 0.8650E+00 1.0000 -0.063 daphnite 0.1350E+00 0.1350E+00 1.0000 -0.870 chlorite-Mn 0.1957E-04 0.1957E-04 1.0000 -4.708 quartz 0.1000E+01 0.1000E+01 1.0000 0.000 chalcopyrite 0.1000E+01 0.1000E+01 1.0000 0.000 bornite 0.1000E+01 0.1000E+01 1.0000 0.000 Current weight percent of gas: 3.085880 % Solid products produced: Mass = 0.002388 g Volume = 0.000902 cm3 WARNING: mineral volume may be in error because some mineral densities were not supplied in SOLTHERM. See mineral list in file Skip_Species.txt. NON-Ideal mixing with H2O, CO2, CH4 Gases ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ The following gases and minerals are presently in matrix or were just added Gas or Mineral Log K Log Q Log(Q/K) Log(Q/K)/S Affinity Log Fugacity 1 H2O,gas 0.13 0.13 -0.00 -0.000 0.46666E-10 2 CO2,gas -8.17 -8.17 0.00 0.000 0.00000E+00 3 CH4,gas 5.10 5.10 0.00 0.000 -0.13293E-10 4 H2,gas 5.88 5.88 0.00 0.000 -0.44312E-11 5 H2S,gas -7.10 -7.10 -0.00 -0.000 0.13293E-10 6 CO,gas -0.63 -0.63 0.00 0.000 0.00000E+00 7 SO2,gas -6.04 -6.04 0.00 0.000 -0.44312E-11 8 HF,gas -3.25 -3.25 0.00 0.000 0.00000E+00 9 HCl,gas 0.84 0.84 -0.00 -0.000 0.55389E-12 10 Hg,gas -8.26 -8.26 0.00 0.000 -0.17725E-10 43 clinochlore 13.00 13.00 0.00 0.000 0.00000E+00 44 daphnite 5.49 5.49 -0.00 -0.000 0.88623E-11 45 chlorite-Mn 21.25 21.25 0.00 0.000 0.00000E+00 146 quartz -2.10 -2.10 0.00 0.000 0.00000E+00 198 bornite -66.68 -66.68 0.00 0.000 0.00000E+00 The following gases and minerals are presently EXCLUDED from matrix (Gases and minerals with log(Q/K) less than -5 are not listed below) Gas or Mineral Log K Log Q Log(Q/K) Log(Q/K)/S Affinity Log Fugacity 11 acmite 4.60 1.82 -2.78 -0.289 0.69345E+04 15 albite-high -3.73 -4.82 -1.09 -0.084 0.27174E+04 16 albite -4.19 -4.82 -0.63 -0.048 0.15720E+04 20 analcite -1.34 -2.73 -1.38 -0.154 0.34470E+04 21 andalusite -6.03 -8.57 -2.54 -0.254 0.63386E+04 22 andradite 21.58 18.04 -3.54 -0.184 0.88321E+04 23 grossular 11.76 8.95 -2.81 -0.140 0.70026E+04 25 ankerite -6.73 -8.55 -1.82 -0.303 0.45408E+04 26 annite 6.04 2.65 -3.39 -0.188 0.84537E+04 27 phlogopite 11.18 9.58 -1.60 -0.089 0.39947E+04 29 anorthite -1.85 -3.43 -1.58 -0.122 0.39514E+04 32 aragonite -1.51 -2.05 -0.53 -0.178 0.13328E+04 33 brucite 7.81 5.09 -2.72 -0.545 0.67950E+04 34 calcite -1.66 -2.05 -0.38 -0.128 0.95788E+03 35 carnegieite-low 2.43 -0.63 -3.06 -0.437 0.76356E+04 36 carnegieite-high 2.91 -0.63 -3.54 -0.506 0.88324E+04 37 carpholite-Mg -3.39 -5.58 -2.19 -0.146 0.54711E+04 38 carpholite-Fe -4.79 -7.89 -3.10 -0.207 0.77327E+04 39 celadonite -0.29 -2.70 -2.41 -0.142 0.60127E+04 40 celadonite-Fe -1.56 -5.01 -3.45 -0.203 0.85989E+04 41 chrysotile 13.41 11.08 -2.33 -0.194 0.58170E+04 46 chlorite-Al-free 26.57 22.15 -4.42 -0.184 0.11027E+05 47 chloritoid-Mg -0.95 -3.48 -2.54 -0.169 0.63239E+04 48 chloritoid-Fe -3.64 -5.79 -2.15 -0.143 0.53614E+04 51 coesite -1.65 -2.10 -0.44 -0.148 0.11056E+04 56 corundum -3.66 -6.47 -2.82 -0.256 0.70235E+04 58 cristobalite -1.90 -2.10 -0.19 -0.064 0.48045E+03 61 cymrite-K -2.17 -5.70 -3.53 -0.294 0.88068E+04 63 diaspore -2.15 -3.24 -1.09 -0.182 0.27167E+04 64 diamond -1.79 -3.39 -1.61 -0.460 0.40147E+04 65 diopside 8.92 8.13 -0.79 -0.079 0.19705E+04 66 hedenbergite 7.43 5.83 -1.60 -0.160 0.39891E+04 67 dolomite,ordered -4.76 -6.24 -1.49 -0.248 0.37115E+04 68 eastonite 4.23 0.11 -4.12 -0.158 0.10277E+05 69 enstatite 8.67 5.99 -2.68 -0.268 0.66834E+04 70 clinoenstatite-HiP 9.42 5.99 -3.44 -0.344 0.85765E+04 71 clinoenstatite 8.60 5.99 -2.62 -0.262 0.65281E+04 72 protoenstatite 8.97 5.99 -2.99 -0.299 0.74538E+04 73 epidote 4.83 3.02 -1.81 -0.088 0.45218E+04 74 clinozoisite 0.59 -1.52 -2.12 -0.096 0.52818E+04 75 epidote-Fe 11.42 7.57 -3.85 -0.200 0.95995E+04 76 fayalite 6.29 3.47 -2.83 -0.404 0.70530E+04 77 ferrosilite 4.31 1.37 -2.94 -0.294 0.73347E+04 78 forsterite 11.24 8.08 -3.16 -0.451 0.78710E+04 81 gibbsite -0.75 -3.24 -2.48 -0.355 0.61926E+04 82 glaucophane 5.35 1.43 -3.91 -0.106 0.97655E+04 84 goethite 3.05 1.31 -1.74 -0.377 0.43437E+04 85 graphite -2.16 -3.39 -1.24 -0.353 0.30846E+04 86 greenalite 7.76 4.15 -3.61 -0.301 0.90097E+04 88 halite 0.75 -3.41 -4.16 -2.078 0.10365E+05 89 hematite 5.14 2.62 -2.52 -0.306 0.62873E+04 90 heulandite -12.87 -13.92 -1.05 -0.048 0.26138E+04 91 hercynite 0.67 -3.69 -4.36 -0.291 0.10879E+05 94 jadeite -0.47 -2.72 -2.25 -0.225 0.56234E+04 96 kalsilite 1.64 -1.50 -3.14 -0.449 0.78401E+04 97 kaolinite -8.61 -10.67 -2.06 -0.187 0.51397E+04 98 kyanite -5.96 -8.57 -2.61 -0.261 0.65082E+04 100 laumontite -6.25 -7.63 -1.37 -0.092 0.34239E+04 101 lawsonite -1.61 -3.43 -1.82 -0.121 0.45455E+04 102 leucite -1.09 -3.60 -2.51 -0.251 0.62643E+04 104 lizardite 13.19 11.08 -2.11 -0.176 0.52668E+04 105 magnesite -2.47 -4.20 -1.72 -0.574 0.42979E+04 106 magnetite 8.59 5.40 -3.19 -0.260 0.79453E+04 107 minnesotaite 2.99 -0.04 -3.04 -0.179 0.75718E+04 108 minnesotaite-Mg 10.32 6.88 -3.44 -0.202 0.85755E+04 112 margarite -6.88 -9.90 -3.02 -0.121 0.75320E+04 115 microcline -5.26 -5.70 -0.43 -0.033 0.10815E+04 116 monticellite 14.44 10.23 -4.21 -0.601 0.10500E+05 118 mullite-Si -4.63 -8.57 -3.95 -0.395 0.98415E+04 119 muscovite -10.27 -12.17 -1.90 -0.112 0.47425E+04 120 paragonite -9.36 -11.30 -1.94 -0.114 0.48374E+04 121 nepheline 1.94 -0.63 -2.56 -0.366 0.63914E+04 126 periclase 9.50 5.09 -4.41 -1.103 0.11008E+05 127 periclase-Fe 6.26 2.78 -3.48 -0.870 0.86785E+04 133 phlogopite-Na 12.59 10.45 -2.15 -0.119 0.53514E+04 135 prehnite 3.29 1.71 -1.58 -0.093 0.39435E+04 136 prehnite-Fe 8.25 6.26 -1.99 -0.120 0.49749E+04 137 pumpellyite-Fe 7.62 2.97 -4.65 -0.103 0.11595E+05 138 pumpellyite-Mg 9.55 5.28 -4.28 -0.095 0.10672E+05 140 px-Ca-tschermaks 2.65 -1.33 -3.98 -0.284 0.99316E+04 141 pyrite -19.76 -20.11 -0.35 -0.083 0.88055E+03 142 pyrrhotite -6.24 -7.19 -0.95 -0.318 0.23764E+04 143 pyrrhotiteFe0.875 -7.33 -7.90 -0.58 -0.212 0.14392E+04 144 pyroxmangite 4.05 -0.00 -4.05 -0.810 0.10101E+05 145 pyrophyllite -12.81 -14.86 -2.05 -0.128 0.51164E+04 149 ringwoodite-Fe 7.47 3.47 -4.00 -0.572 0.99861E+04 151 rhodochrosite -3.03 -7.19 -4.16 -1.387 0.10377E+05 152 rhodonite 4.06 -0.00 -4.06 -0.812 0.10132E+05 153 sanidine -4.43 -5.70 -1.26 -0.097 0.31480E+04 155 siderite -4.80 -6.50 -1.71 -0.569 0.42610E+04 156 sillimanite -5.89 -8.57 -2.68 -0.268 0.66741E+04 158 spinel 3.28 -1.38 -4.67 -0.311 0.11640E+05 163 stilbite -11.48 -13.92 -2.44 -0.116 0.60879E+04 164 stilpnomelane-Fe -3.87 -7.43 -3.55 -0.106 0.88633E+04 165 stilpnomelane-Mg 5.42 4.11 -1.31 -0.039 0.32648E+04 166 stishovite 2.09 -2.10 -4.19 -1.395 0.10443E+05 168 sudoite -4.62 -9.06 -4.44 -0.143 0.11084E+05 169 sulfur -8.92 -12.92 -4.00 -1.230 0.99748E+04 171 talc 7.58 6.88 -0.70 -0.041 0.17551E+04 173 talc-tschermaks 1.31 -2.59 -3.90 -0.229 0.97240E+04 178 topaz-H -5.02 -8.57 -3.55 -0.323 0.88505E+04 179 tridymite -1.93 -2.10 -0.17 -0.057 0.42523E+03 180 tremolite 24.63 23.15 -1.48 -0.040 0.36991E+04 182 troilite-low -6.25 -7.19 -0.94 -0.313 0.23450E+04 183 tschermakite 9.09 4.22 -4.87 -0.132 0.12146E+05 186 wadsleyite-Fe 7.49 3.47 -4.03 -0.575 0.10047E+05 188 wairakite -6.82 -7.62 -0.81 -0.047 0.20089E+04 189 walstromite 7.19 5.14 -2.05 -0.410 0.51156E+04 190 wollastonite 6.49 5.14 -1.35 -0.270 0.33666E+04 191 pseudo-wollastonite 6.78 5.14 -1.64 -0.328 0.40941E+04 192 zoisite 0.62 -1.52 -2.15 -0.098 0.53533E+04 193 beidellite-Ca -11.42 -14.04 -2.62 -0.162 0.65354E+04 194 beidellite-H -11.70 -15.24 -3.54 -0.226 0.88313E+04 195 beidellite-K -10.75 -13.97 -3.23 -0.198 0.80519E+04 196 beidellite-Mg -11.67 -14.40 -2.73 -0.169 0.67983E+04 197 beidellite-Na -10.70 -13.69 -2.98 -0.183 0.74375E+04 200 chalcedony -1.97 -2.10 -0.13 -0.043 0.31890E+03 201 chalcocite -19.61 -21.21 -1.60 -0.399 0.39837E+04 202 covellite -14.98 -17.07 -2.09 -0.794 0.52020E+04 204 montmorillonite-Ca -9.31 -10.92 -1.61 -0.100 0.40196E+04 205 montmorillonite-K -8.77 -10.85 -2.08 -0.127 0.51931E+04 206 montmorillonite-Mg -9.58 -11.28 -1.70 -0.105 0.42349E+04 207 montmorillonite-Na -8.62 -10.56 -1.94 -0.119 0.48344E+04 209 nontronite-Ca -2.14 -4.95 -2.81 -0.183 0.70180E+04 210 nontronite-H -2.42 -6.15 -3.73 -0.250 0.93014E+04 211 nontronite-K -1.46 -4.88 -3.42 -0.220 0.85321E+04 212 nontronite-Mg -2.39 -5.31 -2.92 -0.190 0.72885E+04 213 nontronite-Na -1.42 -4.59 -3.18 -0.204 0.79206E+04 215 topaz -25.09 -29.11 -4.01 -0.446 0.10012E+05 229 tobermorite 7.94 3.93 -4.01 -1.093 0.99959E+04 235 alabandite -3.54 -7.88 -4.33 -1.445 0.10811E+05 240 boehmite -1.36 -3.24 -1.88 -0.313 0.46793E+04 242 chalcopyrite -24.26 -24.26 0.00 0.000 0.00000E+00 245 copper,native -0.73 -4.15 -3.42 -1.189 0.85274E+04 246 dolomite,disordered -4.47 -6.24 -1.77 -0.295 0.44174E+04 247 ferrous-oxide 4.96 2.78 -2.18 -0.544 0.54284E+04 248 fluorite -12.00 -13.30 -1.29 -0.431 0.32288E+04 249 galena -10.07 -11.12 -1.05 -0.350 0.26177E+04 257 silica-amorphous -1.64 -2.10 -0.46 -0.153 0.11484E+04 260 sphalerite -10.27 -12.13 -1.86 -0.620 0.46389E+04 261 wurtzite -9.02 -12.13 -3.11 -1.036 0.77545E+04 263 an20ab80 -3.94 -4.54 -0.60 -0.046 0.15066E+04 264 an25ab75 -3.85 -4.47 -0.62 -0.048 0.15579E+04 265 an30ab70 -3.75 -4.40 -0.65 -0.050 0.16248E+04 266 tr.625ac.25prg.125 20.27 19.53 -0.75 -0.020 0.18634E+04 271 FeS-amorphous -4.33 -7.19 -2.86 -0.953 0.71314E+04 ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ Test file for CHIM-XPT. Boil Broadlands Water Water similar to Broadlands Well No. 2 CHIMRUN demo-2a ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ Number of loops used = 6 Loop limit = 200 Temperature = 272.00 C Pressure = 61.79 bar Mixer fraction = 0.0000000 Total current enthalpy = 296.5306 KCAL Water: Moles liquid = 0.5425E+02 kg liquid = 0.9774E+00 Moles total = 0.5551E+02 kg total = 0.1000E+01 Activity = 0.9989 Stoichiometric ionic strength = .6293438E-01 Osmotic coef. = 0.8741 True ionic strength = .3207600E-01 Chg. balance for total moles = 0.2402E-07 Max. difference allowed = 0.3072E-05 Log Log Log Species(n) Molality Molality Activity Activity Gamma Gamma 1 H+ 0.54623E-06 -6.2626 0.38151E-06 -6.4185 0.69844E+00 -0.1559 2 H2O 0.99894E+00 -0.0005 0.99894E+00 -0.0005 3 Cl- 0.29451E-01 -1.5309 0.20240E-01 -1.6938 0.68725E+00 -0.1629 4 SO4-- 0.48517E-08 -8.3141 0.12009E-08 -8.9205 0.24753E+00 -0.6064 5 HCO3- 0.19551E-02 -2.7088 0.13529E-02 -2.8687 0.69201E+00 -0.1599 6 HS- 0.40474E-03 -3.3928 0.27837E-03 -3.5554 0.68776E+00 -0.1626 7 H4SiO4 0.79729E-02 -2.0984 0.79729E-02 -2.0984 0.10000E+01 0.0000 8 Al+++ 0.76398E-21 -21.1169 0.32265E-22 -22.4913 0.42233E-01 -1.3744 9 Ca++ 0.10460E-04 -4.9805 0.25248E-05 -5.5978 0.24138E+00 -0.6173 10 Mg++ 0.75859E-07 -7.1200 0.17959E-07 -7.7457 0.23674E+00 -0.6257 11 Fe++ 0.36851E-09 -9.4335 0.87663E-10 -10.0572 0.23788E+00 -0.6236 12 K+ 0.37518E-02 -2.4258 0.26013E-02 -2.5848 0.69335E+00 -0.1590 13 Na+ 0.28266E-01 -1.5487 0.19436E-01 -1.7114 0.68760E+00 -0.1627 14 Mn++ 0.76029E-10 -10.1190 0.18151E-10 -10.7411 0.23873E+00 -0.6221 15 Zn++ 0.42867E-14 -14.3679 0.10197E-14 -14.9915 0.23788E+00 -0.6236 16 Cu+ 0.13379E-11 -11.8736 0.91971E-12 -12.0363 0.68743E+00 -0.1628 17 Pb++ 0.42692E-13 -13.3697 0.10428E-13 -13.9818 0.24425E+00 -0.6122 18 Hg++ 0.67889E-32 -32.1682 0.16490E-32 -32.7828 0.24289E+00 -0.6146 19 F- 0.20786E-03 -3.6822 0.14100E-03 -3.8508 0.67830E+00 -0.1686 21 HSiO3- 0.19191E-04 -4.7169 0.13189E-04 -4.8798 0.68725E+00 -0.1629 22 Ca(HSiO3)+ 0.66796E-07 -7.1753 0.46354E-07 -7.3339 0.69396E+00 -0.1587 23 Mg(HSiO3)+ 0.30508E-09 -9.5156 0.21172E-09 -9.6742 0.69396E+00 -0.1587 24 NaHSiO3,aq 0.44696E-05 -5.3497 0.44696E-05 -5.3497 0.10000E+01 0.0000 27 HAlO2,aq 0.11298E-07 -7.9470 0.11298E-07 -7.9470 0.10000E+01 0.0000 28 AlO2- 0.20815E-05 -5.6816 0.14149E-05 -5.8493 0.67972E+00 -0.1677 29 CH4,aq 0.46574E-03 -3.3319 0.45760E-03 -3.3395 0.98251E+00 -0.0077 30 C2H6,aq 0.23898E-09 -9.6216 0.23480E-09 -9.6293 0.98251E+00 -0.0077 34 CO,aq 0.51582E-06 -6.2875 0.51582E-06 -6.2875 0.10000E+01 0.0000 35 CO2,aq 0.55264E-01 -1.2576 0.54298E-01 -1.2652 0.98251E+00 -0.0077 36 CO3-2 0.11335E-06 -6.9456 0.27828E-07 -7.5555 0.24551E+00 -0.6099 37 CaCO3,aq 0.40504E-06 -6.3925 0.40504E-06 -6.3925 0.10000E+01 0.0000 38 Ca(HCO3)+ 0.11255E-04 -4.9486 0.78107E-05 -5.1073 0.69396E+00 -0.1587 39 CaCl+ 0.11683E-04 -4.9325 0.81072E-05 -5.0911 0.69396E+00 -0.1587 40 CaCl2,aq 0.21926E-06 -6.6590 0.21926E-06 -6.6590 0.10000E+01 0.0000 41 CaF+ 0.87610E-06 -6.0574 0.60798E-06 -6.2161 0.69396E+00 -0.1587 42 CaOH+ 0.14741E-05 -5.8315 0.10229E-05 -5.9901 0.69396E+00 -0.1587 43 CaSO4,aq 0.10796E-09 -9.9667 0.10796E-09 -9.9667 0.10000E+01 0.0000 44 HCl,aq 0.38093E-07 -7.4192 0.38093E-07 -7.4192 0.10000E+01 0.0000 53 CuCl,aq 0.23918E-09 -9.6213 0.23918E-09 -9.6213 0.10000E+01 0.0000 54 CuCl2- 0.16223E-09 -9.7899 0.11149E-09 -9.9528 0.68725E+00 -0.1629 61 HF,aq 0.28498E-04 -4.5452 0.28498E-04 -4.5452 0.10000E+01 0.0000 62 HF2- 0.16978E-08 -8.7701 0.11668E-08 -8.9330 0.68725E+00 -0.1629 64 FeCl+ 0.25068E-09 -9.6009 0.17396E-09 -9.7595 0.69396E+00 -0.1587 65 FeCl2,aq 0.32526E-10 -10.4878 0.32526E-10 -10.4878 0.10000E+01 0.0000 67 FeF+ 0.38215E-10 -10.4178 0.26520E-10 -10.5764 0.69396E+00 -0.1587 69 FeO,aq 0.24133E-08 -8.6174 0.24133E-08 -8.6174 0.10000E+01 0.0000 70 FeOH+ 0.24914E-08 -8.6036 0.17289E-08 -8.7622 0.69396E+00 -0.1587 71 HFeO2- 0.31545E-09 -9.5011 0.21679E-09 -9.6640 0.68725E+00 -0.1629 74 FeO2- 0.29938E-09 -9.5238 0.20575E-09 -9.6867 0.68725E+00 -0.1629 75 HFeO2,aq 0.16398E-09 -9.7852 0.16398E-09 -9.7852 0.10000E+01 0.0000 76 H2,aq 0.22299E-03 -3.6517 0.21909E-03 -3.6594 0.98251E+00 -0.0077 77 Hg,aq 0.11789E-08 -8.9285 0.11583E-08 -8.9362 0.98251E+00 -0.0077 90 KCl,aq 0.49694E-04 -4.3037 0.49694E-04 -4.3037 0.10000E+01 0.0000 92 KOH,aq 0.25533E-06 -6.5929 0.25533E-06 -6.5929 0.10000E+01 0.0000 93 KSO4- 0.22108E-08 -8.6555 0.15193E-08 -8.8183 0.68725E+00 -0.1629 94 MgCO3,aq 0.29283E-09 -9.5334 0.29283E-09 -9.5334 0.10000E+01 0.0000 95 Mg(HCO3)+ 0.70071E-07 -7.1545 0.48627E-07 -7.3131 0.69396E+00 -0.1587 96 MgCl+ 0.36601E-07 -7.4365 0.25400E-07 -7.5952 0.69396E+00 -0.1587 97 MgF+ 0.16251E-07 -7.7891 0.11277E-07 -7.9478 0.69396E+00 -0.1587 98 MgOH+ 0.31621E-07 -7.5000 0.21944E-07 -7.6587 0.69396E+00 -0.1587 101 MnO,aq 0.14275E-10 -10.8454 0.14275E-10 -10.8454 0.10000E+01 0.0000 102 MnOH+ 0.78841E-10 -10.1032 0.54713E-10 -10.2619 0.69396E+00 -0.1587 107 MnCl+ 0.12177E-08 -8.9145 0.84504E-09 -9.0731 0.69396E+00 -0.1587 109 NaCl,aq 0.19187E-02 -2.7170 0.19187E-02 -2.7170 0.10000E+01 0.0000 110 NaF,aq 0.11380E-04 -4.9439 0.11380E-04 -4.9439 0.10000E+01 0.0000 111 NaOH,aq 0.11936E-05 -5.9231 0.11936E-05 -5.9231 0.10000E+01 0.0000 113 OH- 0.24764E-04 -4.6062 0.16832E-04 -4.7739 0.67972E+00 -0.1677 124 Pb(HS)2,aq 0.11035E-07 -7.9572 0.11035E-07 -7.9572 0.10000E+01 0.0000 125 Pb(HS)3- 0.23071E-09 -9.6369 0.15855E-09 -9.7998 0.68725E+00 -0.1629 126 H2S,aq 0.31203E-02 -2.5058 0.30657E-02 -2.5135 0.98251E+00 -0.0077 127 S2-2 0.91939E-10 -10.0365 0.22572E-10 -10.6464 0.24551E+00 -0.6099 134 HSO3- 0.20868E-10 -10.6805 0.14341E-10 -10.8434 0.68725E+00 -0.1629 135 HSO4- 0.29127E-09 -9.5357 0.20277E-09 -9.6930 0.69616E+00 -0.1573 149 ZnCl+ 0.10119E-10 -10.9949 0.70220E-11 -11.1535 0.69396E+00 -0.1587 154 ZnOH+ 0.47387E-10 -10.3243 0.32885E-10 -10.4830 0.69396E+00 -0.1587 158 AlF2+ 0.49171E-09 -9.3083 0.34123E-09 -9.4670 0.69396E+00 -0.1587 159 AlF3,aq 0.66530E-07 -7.1770 0.66530E-07 -7.1770 0.10000E+01 0.0000 160 AlF4- 0.13894E-06 -6.8572 0.95484E-07 -7.0201 0.68725E+00 -0.1629 161 AlF5-- 0.24842E-08 -8.6048 0.60988E-09 -9.2148 0.24551E+00 -0.6099 164 Cu(HS)2- 0.61936E-07 -7.2081 0.42566E-07 -7.3709 0.68725E+00 -0.1629 165 CuH4S3-a 0.30781E-10 -10.5117 0.21154E-10 -10.6746 0.68725E+00 -0.1629 166 CuH4S3-b 0.46052E-10 -10.3367 0.31649E-10 -10.4996 0.68725E+00 -0.1629 177 HgH4S3,aq 0.16601E-10 -10.7799 0.16601E-10 -10.7799 0.10000E+01 0.0000 180 MnCl2,aq 0.12389E-08 -8.9070 0.12389E-08 -8.9070 0.10000E+01 0.0000 181 MnCl3- 0.16739E-09 -9.7763 0.11504E-09 -9.9392 0.68725E+00 -0.1629 183 NaCO3- 0.37220E-07 -7.4292 0.25579E-07 -7.5921 0.68725E+00 -0.1629 184 NaHCO3,aq 0.97190E-04 -4.0124 0.97190E-04 -4.0124 0.10000E+01 0.0000 185 NaHS,aq 0.19997E-04 -4.6990 0.19997E-04 -4.6990 0.10000E+01 0.0000 186 NaSO4- 0.29583E-08 -8.5290 0.20331E-08 -8.6918 0.68725E+00 -0.1629 187 PbCO3,aq 0.20526E-10 -10.6877 0.20526E-10 -10.6877 0.10000E+01 0.0000 188 PbOH+ 0.29167E-10 -10.5351 0.20241E-10 -10.6938 0.69396E+00 -0.1587 189 PbH4S3,aq 0.35427E-10 -10.4507 0.35427E-10 -10.4507 0.10000E+01 0.0000 193 Zn(HS)2,aq 0.15444E-07 -7.8112 0.15444E-07 -7.8112 0.10000E+01 0.0000 194 Zn(HS)3- 0.15017E-09 -9.8234 0.10320E-09 -9.9863 0.68725E+00 -0.1629 Charge balance for all species = 0.2458E-07 Component Molality Aq.molality ppm log[A(N)/A(H+)**Z] (total) 1 H+ 0.5462315E-06 0.5829807E-01 0.5844423E+02 0.0000 2 H2O 0.1000000E+01 0.5545368E+02 0.9936300E+06 0.0000 3 Cl- 0.2945113E-01 0.3143169E-01 0.1108341E+04 4.7247 4 SO4-- 0.4851657E-08 -.5216105E-03 -.4983667E+02 3.9165 5 HCO3- 0.1955064E-02 0.5779480E-01 0.3507469E+04 3.5498 6 HS- 0.4047442E-03 0.4066857E-02 0.1337741E+03 2.8631 7 H4SiO4 0.7972911E-02 0.7996638E-02 0.7644573E+03 -2.0984 8 Al+++ 0.7639789E-21 0.2301258E-05 0.6175672E-01 -3.2358 9 Ca++ 0.1045985E-04 0.3643888E-04 0.1452526E+01 7.2392 10 Mg++ 0.7585866E-07 0.2310026E-06 0.5585865E-02 5.0913 11 Fe++ 0.3685130E-09 0.6373867E-08 0.3540427E-03 2.7798 12 K+ 0.3751810E-02 0.3801762E-02 0.1478552E+03 3.8337 13 Na+ 0.2826641E-01 0.3031935E-01 0.6932787E+03 4.7071 14 Mn++ 0.7602937E-10 0.2803670E-08 0.1531978E-03 2.0959 15 Zn++ 0.4286657E-14 0.1565437E-07 0.1017811E-02 -2.1545 16 Cu+ 0.1337897E-11 0.6241624E-07 0.3944551E-02 -5.6179 17 Pb++ 0.4269192E-13 0.1135709E-07 0.2340393E-02 -1.1448 18 Hg++ 0.6788871E-32 0.1198921E-08 0.2391953E-03 -19.9458 19 F- 0.2078647E-03 0.2494077E-03 0.4712707E+01 2.5677 Component Tot moles Aq. moles Solid moles Gas moles 1 H+ 0.1822172E+00 0.5697836E-01 -.3691870E-07 0.1252389E+00 2 H2O 0.5550825E+02 0.5419836E+02 -.7943258E-04 0.1309972E+01 3 Cl- 0.3072017E-01 0.3072017E-01 0.0000000E+00 0.1724915E-08 4 SO4-- -.4257700E-02 -.5098027E-03 0.3426981E-10 -.3747897E-02 5 HCO3- 0.1832100E+00 0.5648648E-01 0.0000000E+00 0.1267235E+00 6 HS- 0.9985820E-02 0.3974794E-02 0.1062364E-08 0.6011024E-02 7 H4SiO4 0.7855346E-02 0.7815616E-02 0.3972977E-04 0.0000000E+00 8 Al+++ 0.2253680E-05 0.2249164E-05 0.4516312E-08 0.0000000E+00 9 Ca++ 0.3561400E-04 0.3561400E-04 0.0000000E+00 0.0000000E+00 10 Mg++ 0.2355503E-06 0.2257734E-06 0.9776926E-08 0.0000000E+00 11 Fe++ 0.8017372E-08 0.6229580E-08 0.1787792E-08 0.0000000E+00 12 K+ 0.3715700E-02 0.3715700E-02 0.0000000E+00 0.0000000E+00 13 Na+ 0.2963300E-01 0.2963300E-01 0.0000000E+00 0.0000000E+00 14 Mn++ 0.2740424E-08 0.2740203E-08 0.2210020E-12 0.0000000E+00 15 Zn++ 0.1530000E-07 0.1530000E-07 0.0000000E+00 0.0000000E+00 16 Cu+ 0.6237410E-07 0.6100331E-07 0.1370792E-08 0.0000000E+00 17 Pb++ 0.1110000E-07 0.1110000E-07 0.0000000E+00 0.0000000E+00 18 Hg++ 0.4000000E-08 0.1171781E-08 0.0000000E+00 0.2828219E-08 19 F- 0.2439100E-03 0.2437617E-03 0.0000000E+00 0.1482613E-06 Chg. balance for solid moles: 0.2315E-16 Mass of aqueous solution: 0.982659E+03 g Temperature = 272.00 C Pressure = 61.79 bar Mixer frac. = 0.0000000 Log Log Vol Gas or mineral Moles Moles Grams Grams Wt.% (cm3) H2O,gas 1.428 0.155 25.72 1.410 82.21 790.6 CO2,gas 0.1234 -0.909 5.432 0.735 17.36 98.41 CH4,gas 0.3300E-02 -2.481 0.5293E-01 -1.276 0.1692 2.941 H2,gas 0.1788E-02 -2.748 0.3611E-02 -2.442 0.1154E-01 1.341 H2S,gas 0.2263E-02 -2.645 0.7713E-01 -1.113 0.2465 1.542 CO,gas 0.3033E-05 -5.518 0.8495E-04 -4.071 0.2715E-03 0.2225E-02 SO2,gas 0.2646E-12 -12.577 0.1695E-10 -10.771 0.5418E-10 0.1941E-09 HF,gas 0.1483E-06 -6.829 0.2965E-05 -5.528 0.9477E-05 0.1088E-03 HCl,gas 0.1725E-08 -8.763 0.6289E-07 -7.201 0.2010E-06 0.1265E-05 Hg,gas 0.2828E-08 -8.548 0.5673E-06 -6.246 0.1813E-05 0.2075E-05 clinochlore 0.1955E-08 -8.709 0.1087E-05 -5.964 0.4551E-01 0.4134E-06 daphnite 0.3027E-09 -9.519 0.2160E-06 -6.666 0.9045E-02 0.6545E-07 chlorite-Mn 0.4420E-13 -13.355 0.3134E-10 -10.504 0.1312E-05 0.9986E-11 quartz 0.3972E-04 -4.401 0.2387E-02 -2.622 99.94 0.9013E-03 bornite 0.2742E-09 -9.562 0.1376E-06 -6.861 0.5761E-02 0.2707E-07 Partial press. Fugacity coef Log fugacity Gas or Mineral Mole fraction or activity Activity coef Log activity H2O,gas 0.9161E+00 0.5661E+02 0.8126 1.663 CO2,gas 0.7916E-01 0.4891E+01 0.9741 0.678 CH4,gas 0.2117E-02 0.1308E+00 1.1772 -0.813 H2,gas 0.1147E-02 0.7086E-01 1.0226 -1.140 H2S,gas 0.1452E-02 0.8969E-01 0.9277 -1.080 CO,gas 0.1945E-05 0.1202E-03 1.0000 -3.920 SO2,gas 0.1697E-12 0.1049E-10 1.0000 -10.979 HF,gas 0.9510E-07 0.5876E-05 1.0000 -5.231 HCl,gas 0.1106E-08 0.6836E-07 1.0000 -7.165 Hg,gas 0.1814E-08 0.1121E-06 1.0000 -6.950 clinochlore 0.8659E+00 0.8659E+00 1.0000 -0.063 daphnite 0.1341E+00 0.1341E+00 1.0000 -0.873 chlorite-Mn 0.1957E-04 0.1957E-04 1.0000 -4.708 quartz 0.1000E+01 0.1000E+01 1.0000 0.000 bornite 0.1000E+01 0.1000E+01 1.0000 0.000 Current weight percent of gas: 3.085880 % Solid products produced: Mass = 0.002388 g Volume = 0.000902 cm3 WARNING: mineral volume may be in error because some mineral densities were not supplied in SOLTHERM. See mineral list in file Skip_Species.txt. NON-Ideal mixing with H2O, CO2, CH4 Gases ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ The following gases and minerals are presently in matrix or were just added Gas or Mineral Log K Log Q Log(Q/K) Log(Q/K)/S Affinity Log Fugacity 1 H2O,gas 0.13 0.13 -0.00 -0.000 0.74893E-09 2 CO2,gas -8.17 -8.17 0.00 0.000 -0.27473E-09 3 CH4,gas 5.10 5.10 0.00 0.000 -0.67354E-09 4 H2,gas 5.88 5.88 0.00 0.000 -0.68683E-10 5 H2S,gas -7.10 -7.10 -0.00 -0.000 0.21934E-09 6 CO,gas -0.63 -0.63 0.00 0.000 -0.16617E-11 7 SO2,gas -6.04 -6.04 0.00 0.000 -0.66467E-11 8 HF,gas -3.25 -3.25 -0.00 -0.000 0.22156E-11 9 HCl,gas 0.84 0.84 -0.00 -0.000 0.33234E-11 10 Hg,gas -8.26 -8.26 0.00 0.000 -0.13293E-10 43 clinochlore 13.00 13.00 0.00 0.000 -0.22156E-10 44 daphnite 5.49 5.49 0.00 0.000 -0.22156E-11 45 chlorite-Mn 21.25 21.25 0.00 0.000 -0.26587E-10 146 quartz -2.10 -2.10 0.00 0.000 -0.11078E-11 198 bornite -66.68 -66.68 -0.00 -0.000 0.35449E-10 The following gases and minerals are presently EXCLUDED from matrix (Gases and minerals with log(Q/K) less than -5 are not listed below) Gas or Mineral Log K Log Q Log(Q/K) Log(Q/K)/S Affinity Log Fugacity 11 acmite 4.60 1.82 -2.78 -0.289 0.69418E+04 15 albite-high -3.73 -4.82 -1.09 -0.084 0.27174E+04 16 albite -4.19 -4.82 -0.63 -0.048 0.15719E+04 20 analcite -1.34 -2.72 -1.38 -0.154 0.34470E+04 21 andalusite -6.03 -8.57 -2.54 -0.254 0.63385E+04 22 andradite 21.58 18.04 -3.55 -0.184 0.88467E+04 23 grossular 11.76 8.95 -2.81 -0.140 0.70025E+04 25 ankerite -6.73 -8.56 -1.82 -0.304 0.45481E+04 26 annite 6.04 2.64 -3.40 -0.189 0.84757E+04 27 phlogopite 11.18 9.58 -1.60 -0.089 0.39913E+04 29 anorthite -1.85 -3.43 -1.58 -0.122 0.39513E+04 32 aragonite -1.51 -2.05 -0.53 -0.178 0.13328E+04 33 brucite 7.81 5.09 -2.72 -0.545 0.67939E+04 34 calcite -1.66 -2.05 -0.38 -0.128 0.95788E+03 35 carnegieite-low 2.43 -0.63 -3.06 -0.437 0.76355E+04 36 carnegieite-high 2.91 -0.63 -3.54 -0.506 0.88323E+04 37 carpholite-Mg -3.39 -5.58 -2.19 -0.146 0.54699E+04 38 carpholite-Fe -4.79 -7.89 -3.10 -0.207 0.77400E+04 39 celadonite -0.29 -2.70 -2.41 -0.142 0.60116E+04 40 celadonite-Fe -1.56 -5.01 -3.45 -0.203 0.86061E+04 41 chrysotile 13.41 11.08 -2.33 -0.194 0.58136E+04 46 chlorite-Al-free 26.57 22.15 -4.42 -0.184 0.11020E+05 47 chloritoid-Mg -0.95 -3.48 -2.53 -0.169 0.63227E+04 48 chloritoid-Fe -3.64 -5.79 -2.15 -0.143 0.53686E+04 51 coesite -1.65 -2.10 -0.44 -0.148 0.11056E+04 56 corundum -3.66 -6.47 -2.82 -0.256 0.70234E+04 58 cristobalite -1.90 -2.10 -0.19 -0.064 0.48045E+03 61 cymrite-K -2.17 -5.70 -3.53 -0.294 0.88068E+04 63 diaspore -2.15 -3.24 -1.09 -0.182 0.27167E+04 64 diamond -1.79 -3.39 -1.61 -0.460 0.40147E+04 65 diopside 8.92 8.13 -0.79 -0.079 0.19694E+04 66 hedenbergite 7.43 5.82 -1.60 -0.160 0.39964E+04 67 dolomite,ordered -4.76 -6.24 -1.49 -0.248 0.37103E+04 68 eastonite 4.23 0.11 -4.12 -0.158 0.10275E+05 69 enstatite 8.67 5.99 -2.68 -0.268 0.66812E+04 70 clinoenstatite-HiP 9.42 5.99 -3.44 -0.344 0.85743E+04 71 clinoenstatite 8.60 5.99 -2.62 -0.262 0.65259E+04 72 protoenstatite 8.97 5.99 -2.99 -0.299 0.74516E+04 73 epidote 4.83 3.02 -1.82 -0.088 0.45290E+04 74 clinozoisite 0.59 -1.52 -2.12 -0.096 0.52816E+04 75 epidote-Fe 11.42 7.56 -3.85 -0.200 0.96141E+04 76 fayalite 6.29 3.46 -2.83 -0.405 0.70676E+04 77 ferrosilite 4.31 1.36 -2.95 -0.295 0.73494E+04 78 forsterite 11.24 8.08 -3.15 -0.451 0.78687E+04 81 gibbsite -0.75 -3.24 -2.48 -0.355 0.61925E+04 82 glaucophane 5.35 1.43 -3.91 -0.106 0.97620E+04 84 goethite 3.05 1.31 -1.74 -0.377 0.43511E+04 85 graphite -2.16 -3.39 -1.24 -0.353 0.30846E+04 86 greenalite 7.76 4.14 -3.62 -0.302 0.90317E+04 88 halite 0.75 -3.41 -4.16 -2.078 0.10365E+05 89 hematite 5.14 2.61 -2.53 -0.306 0.63020E+04 90 heulandite -12.87 -13.92 -1.05 -0.048 0.26137E+04 91 hercynite 0.67 -3.69 -4.36 -0.291 0.10886E+05 94 jadeite -0.47 -2.72 -2.25 -0.225 0.56233E+04 96 kalsilite 1.64 -1.50 -3.14 -0.449 0.78401E+04 97 kaolinite -8.61 -10.67 -2.06 -0.187 0.51396E+04 98 kyanite -5.96 -8.57 -2.61 -0.261 0.65081E+04 100 laumontite -6.25 -7.63 -1.37 -0.092 0.34238E+04 101 lawsonite -1.61 -3.43 -1.82 -0.121 0.45454E+04 102 leucite -1.09 -3.60 -2.51 -0.251 0.62642E+04 104 lizardite 13.19 11.08 -2.11 -0.176 0.52635E+04 105 magnesite -2.47 -4.20 -1.72 -0.574 0.42968E+04 106 magnetite 8.59 5.39 -3.19 -0.261 0.79673E+04 107 minnesotaite 2.99 -0.05 -3.04 -0.179 0.75938E+04 108 minnesotaite-Mg 10.32 6.88 -3.44 -0.202 0.85722E+04 112 margarite -6.88 -9.90 -3.02 -0.121 0.75318E+04 115 microcline -5.26 -5.70 -0.43 -0.033 0.10815E+04 116 monticellite 14.44 10.23 -4.21 -0.601 0.10499E+05 118 mullite-Si -4.63 -8.57 -3.95 -0.395 0.98414E+04 119 muscovite -10.27 -12.17 -1.90 -0.112 0.47423E+04 120 paragonite -9.36 -11.30 -1.94 -0.114 0.48372E+04 121 nepheline 1.94 -0.63 -2.56 -0.366 0.63914E+04 126 periclase 9.50 5.09 -4.41 -1.103 0.11007E+05 127 periclase-Fe 6.26 2.78 -3.48 -0.870 0.86859E+04 133 phlogopite-Na 12.59 10.45 -2.14 -0.119 0.53480E+04 135 prehnite 3.29 1.71 -1.58 -0.093 0.39434E+04 136 prehnite-Fe 8.25 6.25 -2.00 -0.120 0.49822E+04 137 pumpellyite-Fe 7.62 2.97 -4.65 -0.103 0.11602E+05 138 pumpellyite-Mg 9.55 5.28 -4.28 -0.095 0.10671E+05 140 px-Ca-tschermaks 2.65 -1.33 -3.98 -0.284 0.99315E+04 141 pyrite -19.76 -20.11 -0.36 -0.084 0.88788E+03 142 pyrrhotite -6.24 -7.19 -0.96 -0.319 0.23837E+04 143 pyrrhotiteFe0.875 -7.33 -7.91 -0.58 -0.213 0.14456E+04 144 pyroxmangite 4.05 -0.00 -4.05 -0.810 0.10101E+05 145 pyrophyllite -12.81 -14.86 -2.05 -0.128 0.51162E+04 149 ringwoodite-Fe 7.47 3.46 -4.01 -0.573 0.10001E+05 151 rhodochrosite -3.03 -7.19 -4.16 -1.387 0.10377E+05 152 rhodonite 4.06 -0.00 -4.06 -0.812 0.10132E+05 153 sanidine -4.43 -5.70 -1.26 -0.097 0.31480E+04 155 siderite -4.80 -6.51 -1.71 -0.570 0.42683E+04 156 sillimanite -5.89 -8.57 -2.68 -0.268 0.66740E+04 158 spinel 3.28 -1.38 -4.67 -0.311 0.11639E+05 163 stilbite -11.48 -13.92 -2.44 -0.116 0.60878E+04 164 stilpnomelane-Fe -3.87 -7.44 -3.57 -0.106 0.88998E+04 165 stilpnomelane-Mg 5.42 4.12 -1.31 -0.039 0.32591E+04 166 stishovite 2.09 -2.10 -4.19 -1.395 0.10443E+05 168 sudoite -4.62 -9.06 -4.44 -0.143 0.11082E+05 169 sulfur -8.92 -12.92 -4.00 -1.230 0.99748E+04 171 talc 7.58 6.88 -0.70 -0.041 0.17517E+04 173 talc-tschermaks 1.31 -2.58 -3.90 -0.229 0.97217E+04 178 topaz-H -5.02 -8.57 -3.55 -0.323 0.88503E+04 179 tridymite -1.93 -2.10 -0.17 -0.057 0.42523E+03 180 tremolite 24.63 23.15 -1.48 -0.040 0.36936E+04 182 troilite-low -6.25 -7.19 -0.94 -0.314 0.23523E+04 183 tschermakite 9.09 4.22 -4.87 -0.132 0.12142E+05 186 wadsleyite-Fe 7.49 3.46 -4.03 -0.576 0.10062E+05 188 wairakite -6.82 -7.62 -0.81 -0.047 0.20088E+04 189 walstromite 7.19 5.14 -2.05 -0.410 0.51156E+04 190 wollastonite 6.49 5.14 -1.35 -0.270 0.33666E+04 191 pseudo-wollastonite 6.78 5.14 -1.64 -0.328 0.40941E+04 192 zoisite 0.62 -1.52 -2.15 -0.098 0.53531E+04 193 beidellite-Ca -11.42 -14.04 -2.62 -0.162 0.65353E+04 194 beidellite-H -11.70 -15.24 -3.54 -0.226 0.88312E+04 195 beidellite-K -10.75 -13.97 -3.23 -0.198 0.80518E+04 196 beidellite-Mg -11.67 -14.40 -2.73 -0.169 0.67980E+04 197 beidellite-Na -10.70 -13.69 -2.98 -0.183 0.74374E+04 200 chalcedony -1.97 -2.10 -0.13 -0.043 0.31890E+03 201 chalcocite -19.61 -21.21 -1.60 -0.399 0.39808E+04 202 covellite -14.98 -17.06 -2.08 -0.794 0.52005E+04 204 montmorillonite-Ca -9.31 -10.92 -1.61 -0.100 0.40191E+04 205 montmorillonite-K -8.77 -10.85 -2.08 -0.127 0.51926E+04 206 montmorillonite-Mg -9.58 -11.28 -1.70 -0.105 0.42343E+04 207 montmorillonite-Na -8.62 -10.56 -1.94 -0.119 0.48339E+04 209 nontronite-Ca -2.14 -4.96 -2.82 -0.183 0.70327E+04 210 nontronite-H -2.42 -6.15 -3.73 -0.250 0.93160E+04 211 nontronite-K -1.46 -4.89 -3.43 -0.220 0.85467E+04 212 nontronite-Mg -2.39 -5.31 -2.93 -0.190 0.73029E+04 213 nontronite-Na -1.42 -4.60 -3.18 -0.204 0.79352E+04 215 topaz -25.09 -29.11 -4.01 -0.446 0.10012E+05 229 tobermorite 7.94 3.93 -4.01 -1.093 0.99959E+04 235 alabandite -3.54 -7.88 -4.33 -1.445 0.10811E+05 240 boehmite -1.36 -3.24 -1.88 -0.313 0.46793E+04 242 chalcopyrite -24.26 -24.26 -0.00 -0.000 0.58597E+01 245 copper,native -0.73 -4.15 -3.42 -1.189 0.85259E+04 246 dolomite,disordered -4.47 -6.24 -1.77 -0.295 0.44163E+04 247 ferrous-oxide 4.96 2.78 -2.18 -0.545 0.54357E+04 248 fluorite -12.00 -13.30 -1.29 -0.431 0.32288E+04 249 galena -10.07 -11.12 -1.05 -0.350 0.26177E+04 257 silica-amorphous -1.64 -2.10 -0.46 -0.153 0.11484E+04 260 sphalerite -10.27 -12.13 -1.86 -0.620 0.46389E+04 261 wurtzite -9.02 -12.13 -3.11 -1.036 0.77545E+04 263 an20ab80 -3.94 -4.54 -0.60 -0.046 0.15065E+04 264 an25ab75 -3.85 -4.47 -0.62 -0.048 0.15579E+04 265 an30ab70 -3.75 -4.40 -0.65 -0.050 0.16248E+04 266 tr.625ac.25prg.125 20.27 19.52 -0.75 -0.020 0.18685E+04 271 FeS-amorphous -4.33 -7.19 -2.86 -0.954 0.71387E+04 Calculations done for 272.0000 Deg. C; 61.7896 bar Enthalpies: Pure water 5.1445 kcal/mole H2O,gas 11.8560 kcal/mole CO2,gas 3.9364 kcal/mole CH4,gas 3.9566 kcal/mole Current solution 279.0977 Gas 17.4328 kcal Total current enthalpy 296.5306 kcal Starting enthalpy 296.5306 kcal Temperature changed by -2.000 degrees to 270.000 degrees C. Solids and gases carried ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ Test file for CHIM-XPT. Boil Broadlands Water Water similar to Broadlands Well No. 2 CHIMRUN demo-2a ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ Number of loops used = 16 Loop limit = 200 Temperature = 270.00 C Pressure = 59.05 bar Mixer fraction = 0.0000000 Total current enthalpy = 296.5306 KCAL Water: Moles liquid = 0.5391E+02 kg liquid = 0.9712E+00 Moles total = 0.5551E+02 kg total = 0.1000E+01 Activity = 0.9991 Stoichiometric ionic strength = .5834259E-01 Osmotic coef. = 0.8774 True ionic strength = .3234738E-01 Chg. balance for total moles = 0.2402E-07 Max. difference allowed = 0.3072E-05 Log Log Log Species(n) Molality Molality Activity Activity Gamma Gamma 1 H+ 0.48623E-06 -6.3132 0.34034E-06 -6.4681 0.69996E+00 -0.1549 2 H2O 0.99912E+00 -0.0004 0.99912E+00 -0.0004 3 Cl- 0.29701E-01 -1.5272 0.20459E-01 -1.6891 0.68885E+00 -0.1619 4 SO4-- 0.65583E-08 -8.1832 0.16367E-08 -8.7860 0.24956E+00 -0.6028 5 HCO3- 0.19438E-02 -2.7113 0.13482E-02 -2.8702 0.69359E+00 -0.1589 6 HS- 0.42530E-03 -3.3713 0.29318E-03 -3.5329 0.68935E+00 -0.1616 7 H4SiO4 0.78471E-02 -2.1053 0.78471E-02 -2.1053 0.10000E+01 0.0000 8 Al+++ 0.56725E-21 -21.2462 0.24399E-22 -22.6126 0.43012E-01 -1.3664 9 Ca++ 0.10924E-04 -4.9616 0.26589E-05 -5.5753 0.24339E+00 -0.6137 10 Mg++ 0.68092E-07 -7.1669 0.16256E-07 -7.7890 0.23873E+00 -0.6221 11 Fe++ 0.24160E-09 -9.6169 0.57956E-10 -10.2369 0.23988E+00 -0.6200 12 K+ 0.37778E-02 -2.4228 0.26253E-02 -2.5808 0.69492E+00 -0.1581 13 Na+ 0.28511E-01 -1.5450 0.19649E-01 -1.7067 0.68919E+00 -0.1617 14 Mn++ 0.82728E-10 -10.0823 0.19915E-10 -10.7008 0.24073E+00 -0.6185 15 Zn++ 0.42941E-14 -14.3671 0.10301E-14 -14.9871 0.23988E+00 -0.6200 16 Cu+ 0.12268E-11 -11.9112 0.84531E-12 -12.0730 0.68902E+00 -0.1618 17 Pb++ 0.41282E-13 -13.3842 0.10166E-13 -13.9928 0.24627E+00 -0.6086 18 Hg++ 0.43945E-32 -32.3571 0.10762E-32 -32.9681 0.24490E+00 -0.6110 19 F- 0.21379E-03 -3.6700 0.14537E-03 -3.8375 0.67994E+00 -0.1675 21 HSiO3- 0.21814E-04 -4.6613 0.15027E-04 -4.8231 0.68885E+00 -0.1619 22 Ca(HSiO3)+ 0.74754E-07 -7.1264 0.51994E-07 -7.2840 0.69553E+00 -0.1577 23 Mg(HSiO3)+ 0.29558E-09 -9.5293 0.20558E-09 -9.6870 0.69553E+00 -0.1577 24 NaHSiO3,aq 0.50161E-05 -5.2996 0.50161E-05 -5.2996 0.10000E+01 0.0000 27 HAlO2,aq 0.10765E-07 -7.9680 0.10765E-07 -7.9680 0.10000E+01 0.0000 28 AlO2- 0.21898E-05 -5.6596 0.14920E-05 -5.8262 0.68135E+00 -0.1666 29 CH4,aq 0.35435E-03 -3.4506 0.34855E-03 -3.4577 0.98363E+00 -0.0072 30 C2H6,aq 0.14309E-09 -9.8444 0.14075E-09 -9.8516 0.98363E+00 -0.0072 34 CO,aq 0.39146E-06 -6.4073 0.39146E-06 -6.4073 0.10000E+01 0.0000 35 CO2,aq 0.45796E-01 -1.3392 0.45046E-01 -1.3463 0.98363E+00 -0.0072 36 CO3-2 0.13234E-06 -6.8783 0.32758E-07 -7.4847 0.24753E+00 -0.6064 37 CaCO3,aq 0.45150E-06 -6.3453 0.45150E-06 -6.3453 0.10000E+01 0.0000 38 Ca(HCO3)+ 0.10959E-04 -4.9602 0.76224E-05 -5.1179 0.69553E+00 -0.1577 39 CaCl+ 0.11543E-04 -4.9377 0.80284E-05 -5.0954 0.69553E+00 -0.1577 40 CaCl2,aq 0.21005E-06 -6.6777 0.21005E-06 -6.6777 0.10000E+01 0.0000 41 CaF+ 0.88024E-06 -6.0554 0.61224E-06 -6.2131 0.69553E+00 -0.1577 42 CaOH+ 0.16287E-05 -5.7882 0.11328E-05 -5.9458 0.69553E+00 -0.1577 43 CaSO4,aq 0.14142E-09 -9.8495 0.14142E-09 -9.8495 0.10000E+01 0.0000 44 HCl,aq 0.32099E-07 -7.4935 0.32099E-07 -7.4935 0.10000E+01 0.0000 53 CuCl,aq 0.21563E-09 -9.6663 0.21563E-09 -9.6663 0.10000E+01 0.0000 54 CuCl2- 0.14646E-09 -9.8343 0.10089E-09 -9.9962 0.68885E+00 -0.1619 61 HF,aq 0.24630E-04 -4.6085 0.24630E-04 -4.6085 0.10000E+01 0.0000 62 HF2- 0.15140E-08 -8.8199 0.10429E-08 -8.9818 0.68885E+00 -0.1619 64 FeCl+ 0.15621E-09 -9.8063 0.10865E-09 -9.9640 0.69553E+00 -0.1577 65 FeCl2,aq 0.18010E-10 -10.7445 0.18010E-10 -10.7445 0.10000E+01 0.0000 67 FeF+ 0.24369E-10 -10.6132 0.16950E-10 -10.7708 0.69553E+00 -0.1577 69 FeO,aq 0.18143E-08 -8.7413 0.18143E-08 -8.7413 0.10000E+01 0.0000 70 FeOH+ 0.17561E-08 -8.7554 0.12214E-08 -8.9131 0.69553E+00 -0.1577 71 HFeO2- 0.26847E-09 -9.5711 0.18493E-09 -9.7330 0.68885E+00 -0.1619 74 FeO2- 0.25615E-09 -9.5915 0.17645E-09 -9.7534 0.68885E+00 -0.1619 75 HFeO2,aq 0.12789E-09 -9.8932 0.12789E-09 -9.8932 0.10000E+01 0.0000 76 H2,aq 0.20394E-03 -3.6905 0.20060E-03 -3.6977 0.98363E+00 -0.0072 77 Hg,aq 0.96358E-09 -9.0161 0.94780E-09 -9.0233 0.98363E+00 -0.0072 90 KCl,aq 0.47985E-04 -4.3189 0.47985E-04 -4.3189 0.10000E+01 0.0000 92 KOH,aq 0.28085E-06 -6.5515 0.28085E-06 -6.5515 0.10000E+01 0.0000 93 KSO4- 0.28593E-08 -8.5437 0.19696E-08 -8.7056 0.68885E+00 -0.1619 94 MgCO3,aq 0.28278E-09 -9.5486 0.28278E-09 -9.5486 0.10000E+01 0.0000 95 Mg(HCO3)+ 0.58836E-07 -7.2304 0.40923E-07 -7.3880 0.69553E+00 -0.1577 96 MgCl+ 0.31320E-07 -7.5042 0.21784E-07 -7.6619 0.69553E+00 -0.1577 97 MgF+ 0.14084E-07 -7.8513 0.97957E-08 -8.0090 0.69553E+00 -0.1577 98 MgOH+ 0.30099E-07 -7.5215 0.20935E-07 -7.6791 0.69553E+00 -0.1577 101 MnO,aq 0.17862E-10 -10.7481 0.17862E-10 -10.7481 0.10000E+01 0.0000 102 MnOH+ 0.91978E-10 -10.0363 0.63974E-10 -10.1940 0.69553E+00 -0.1577 107 MnCl+ 0.12388E-08 -8.9070 0.86162E-09 -9.0647 0.69553E+00 -0.1577 109 NaCl,aq 0.18714E-02 -2.7278 0.18714E-02 -2.7278 0.10000E+01 0.0000 110 NaF,aq 0.11290E-04 -4.9473 0.11290E-04 -4.9473 0.10000E+01 0.0000 111 NaOH,aq 0.13180E-05 -5.8801 0.13180E-05 -5.8801 0.10000E+01 0.0000 113 OH- 0.27970E-04 -4.5533 0.19057E-04 -4.7199 0.68135E+00 -0.1666 124 Pb(HS)2,aq 0.11099E-07 -7.9547 0.11099E-07 -7.9547 0.10000E+01 0.0000 125 Pb(HS)3- 0.23721E-09 -9.6249 0.16340E-09 -9.7868 0.68885E+00 -0.1619 126 H2S,aq 0.27712E-02 -2.5573 0.27258E-02 -2.5645 0.98363E+00 -0.0072 127 S2-2 0.10227E-09 -9.9902 0.25315E-10 -10.5966 0.24753E+00 -0.6064 134 HSO3- 0.22057E-10 -10.6564 0.15194E-10 -10.8183 0.68885E+00 -0.1619 135 HSO4- 0.32539E-09 -9.4876 0.22703E-09 -9.6439 0.69772E+00 -0.1563 154 ZnOH+ 0.50142E-10 -10.2998 0.34876E-10 -10.4575 0.69553E+00 -0.1577 158 AlF2+ 0.26815E-09 -9.5716 0.18651E-09 -9.7293 0.69553E+00 -0.1577 159 AlF3,aq 0.33726E-07 -7.4720 0.33726E-07 -7.4720 0.10000E+01 0.0000 160 AlF4- 0.67222E-07 -7.1725 0.46305E-07 -7.3344 0.68885E+00 -0.1619 161 AlF5-- 0.12181E-08 -8.9143 0.30151E-09 -9.5207 0.24753E+00 -0.6064 164 Cu(HS)2- 0.68354E-07 -7.1652 0.47085E-07 -7.3271 0.68885E+00 -0.1619 165 CuH4S3-a 0.27837E-10 -10.5554 0.19175E-10 -10.7173 0.68885E+00 -0.1619 166 CuH4S3-b 0.49684E-10 -10.3038 0.34225E-10 -10.4657 0.68885E+00 -0.1619 180 MnCl2,aq 0.12094E-08 -8.9174 0.12094E-08 -8.9174 0.10000E+01 0.0000 181 MnCl3- 0.16724E-09 -9.7767 0.11520E-09 -9.9385 0.68885E+00 -0.1619 183 NaCO3- 0.46032E-07 -7.3369 0.31709E-07 -7.4988 0.68885E+00 -0.1619 184 NaHCO3,aq 0.92790E-04 -4.0325 0.92790E-04 -4.0325 0.10000E+01 0.0000 185 NaHS,aq 0.20178E-04 -4.6951 0.20178E-04 -4.6951 0.10000E+01 0.0000 186 NaSO4- 0.38582E-08 -8.4136 0.26577E-08 -8.5755 0.68885E+00 -0.1619 187 PbCO3,aq 0.24786E-10 -10.6058 0.24786E-10 -10.6058 0.10000E+01 0.0000 188 PbOH+ 0.30771E-10 -10.5119 0.21402E-10 -10.6695 0.69553E+00 -0.1577 189 PbH4S3,aq 0.31023E-10 -10.5083 0.31023E-10 -10.5083 0.10000E+01 0.0000 193 Zn(HS)2,aq 0.15529E-07 -7.8089 0.15529E-07 -7.8089 0.10000E+01 0.0000 194 Zn(HS)3- 0.16299E-09 -9.7879 0.11227E-09 -9.9497 0.68885E+00 -0.1619 Charge balance for all species = 0.2473E-07 Component Molality Aq.molality ppm log[A(N)/A(H+)**Z] (total) 1 H+ 0.4862298E-06 0.4847405E-01 0.4861638E+02 0.0000 2 H2O 0.1000000E+01 0.5546302E+02 0.9942225E+06 0.0000 3 Cl- 0.2970088E-01 0.3163226E-01 0.1115891E+04 4.7790 4 SO4-- 0.6558318E-08 -.4054200E-03 -.3875195E+02 4.1501 5 HCO3- 0.1943814E-02 0.4819898E-01 0.2926366E+04 3.5978 6 HS- 0.4252987E-03 0.3622275E-02 0.1192011E+03 2.9352 7 H4SiO4 0.7847144E-02 0.7874049E-02 0.7530601E+03 -2.1053 8 Al+++ 0.5672529E-21 0.2302977E-05 0.6182928E-01 -3.2084 9 Ca++ 0.1092428E-04 0.3667139E-04 0.1462420E+01 7.3609 10 Mg++ 0.6809176E-07 0.2030105E-06 0.4911089E-02 5.1472 11 Fe++ 0.2416032E-09 0.4663466E-08 0.2591476E-03 2.6993 12 K+ 0.3777752E-02 0.3826021E-02 0.1488623E+03 3.8873 13 Na+ 0.2851081E-01 0.3051282E-01 0.6980010E+03 4.7614 14 Mn++ 0.8272765E-10 0.2820703E-08 0.1541945E-03 2.2353 15 Zn++ 0.4294076E-14 0.1575426E-07 0.1024743E-02 -2.0510 16 Cu+ 0.1226825E-11 0.6879530E-07 0.4349552E-02 -5.6049 17 Pb++ 0.4128157E-13 0.1142956E-07 0.2356335E-02 -1.0567 18 Hg++ 0.4394468E-32 0.9759276E-09 0.1947895E-03 -20.0319 19 F- 0.2137940E-03 0.2509880E-03 0.4744597E+01 2.6305 Component Tot moles Aq. moles Solid moles Gas moles 1 H+ 0.1822172E+00 0.4707634E-01 -.1343136E-06 0.1351410E+00 2 H2O 0.5550825E+02 0.5386378E+02 -.4165752E-03 0.1644887E+01 3 Cl- 0.3072017E-01 0.3072017E-01 0.0000000E+00 0.1794349E-08 4 SO4-- -.4257700E-02 -.3937300E-03 -.1109383E-09 -.3863970E-02 5 HCO3- 0.1832100E+00 0.4680920E-01 0.0000000E+00 0.1364008E+00 6 HS- 0.9985820E-02 0.3517829E-02 -.3439089E-08 0.6467994E-02 7 H4SiO4 0.7855346E-02 0.7647007E-02 0.2083392E-03 0.0000000E+00 8 Al+++ 0.2253680E-05 0.2236572E-05 0.1710815E-07 0.0000000E+00 9 Ca++ 0.3561400E-04 0.3561400E-04 0.0000000E+00 0.0000000E+00 10 Mg++ 0.2355503E-06 0.1971568E-06 0.3839344E-07 0.0000000E+00 11 Fe++ 0.8017372E-08 0.4528998E-08 0.3488374E-08 0.0000000E+00 12 K+ 0.3715700E-02 0.3715700E-02 0.0000000E+00 0.0000000E+00 13 Na+ 0.2963300E-01 0.2963300E-01 0.0000000E+00 0.0000000E+00 14 Mn++ 0.2740424E-08 0.2739370E-08 0.1053264E-11 0.0000000E+00 15 Zn++ 0.1530000E-07 0.1530000E-07 0.0000000E+00 0.0000000E+00 16 Cu+ 0.6237410E-07 0.6681163E-07 -.4437534E-08 0.0000000E+00 17 Pb++ 0.1110000E-07 0.1110000E-07 0.0000000E+00 0.0000000E+00 18 Hg++ 0.4000000E-08 0.9477874E-09 0.0000000E+00 0.3052213E-08 19 F- 0.2439100E-03 0.2437509E-03 0.0000000E+00 0.1591039E-06 Chg. balance for solid moles: 0.1577E-16 Mass of aqueous solution: 0.976011E+03 g Temperature = 270.00 C Pressure = 59.05 bar Mixer frac. = 0.0000000 Log Log Vol Gas or mineral Moles Moles Grams Grams Wt.% (cm3) H2O,gas 1.772 0.249 31.92 1.504 84.17 1035. CO2,gas 0.1331 -0.876 5.856 0.768 15.44 110.3 CH4,gas 0.3326E-02 -2.478 0.5335E-01 -1.273 0.1407 3.082 H2,gas 0.2148E-02 -2.668 0.4339E-02 -2.363 0.1144E-01 1.678 H2S,gas 0.2604E-02 -2.584 0.8875E-01 -1.052 0.2340 1.853 CO,gas 0.3050E-05 -5.516 0.8542E-04 -4.068 0.2252E-03 0.2332E-02 SO2,gas 0.2975E-12 -12.526 0.1906E-10 -10.720 0.5025E-10 0.2275E-09 HF,gas 0.1591E-06 -6.798 0.3182E-05 -5.497 0.8390E-05 0.1217E-03 HCl,gas 0.1794E-08 -8.746 0.6542E-07 -7.184 0.1725E-06 0.1372E-05 Hg,gas 0.3052E-08 -8.515 0.6122E-06 -6.213 0.1614E-05 0.2334E-05 clinochlore 0.7679E-08 -8.115 0.4268E-05 -5.370 0.3409E-01 0.1623E-05 daphnite 0.8752E-09 -9.058 0.6244E-06 -6.205 0.4988E-02 0.1892E-06 chlorite-Mn 0.2107E-12 -12.676 0.1493E-09 -9.826 0.1193E-05 0.4759E-10 quartz 0.2083E-03 -3.681 0.1252E-01 -1.903 99.96 0.4726E-02 bornite -.8875E-09 1.000 -.4454E-06 1.000 -.3557E-02 -.8762E-07 Partial press. Fugacity coef Log fugacity Gas or Mineral Mole fraction or activity Activity coef Log activity H2O,gas 0.9262E+00 0.5470E+02 0.8182 1.651 CO2,gas 0.6954E-01 0.4106E+01 0.9760 0.603 CH4,gas 0.1738E-02 0.1026E+00 1.1741 -0.919 H2,gas 0.1122E-02 0.6628E-01 1.0217 -1.169 H2S,gas 0.1361E-02 0.8036E-01 0.9298 -1.127 CO,gas 0.1594E-05 0.9410E-04 1.0000 -4.026 SO2,gas 0.1555E-12 0.9181E-11 1.0000 -11.037 HF,gas 0.8314E-07 0.4910E-05 1.0000 -5.309 HCl,gas 0.9377E-09 0.5537E-07 1.0000 -7.257 Hg,gas 0.1595E-08 0.9419E-07 1.0000 -7.026 clinochlore 0.8977E+00 0.8977E+00 1.0000 -0.047 daphnite 0.1023E+00 0.1023E+00 1.0000 -0.990 chlorite-Mn 0.2463E-04 0.2463E-04 1.0000 -4.609 quartz 0.1000E+01 0.1000E+01 1.0000 0.000 bornite 0.1000E+01 0.1000E+01 1.0000 0.000 Current weight percent of gas: 3.740375 % Solid products produced: Mass = 0.012520 g Volume = 0.004728 cm3 WARNING: mineral volume may be in error because some mineral densities were not supplied in SOLTHERM. See mineral list in file Skip_Species.txt. NON-Ideal mixing with H2O, CO2, CH4 Gases ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ The following gases and minerals are presently in matrix or were just added Gas or Mineral Log K Log Q Log(Q/K) Log(Q/K)/S Affinity Log Fugacity 1 H2O,gas 0.12 0.12 -0.00 -0.000 0.25384E-08 2 CO2,gas -8.17 -8.17 0.00 0.000 -0.98452E-09 3 CH4,gas 5.07 5.07 0.00 0.000 -0.24061E-08 4 H2,gas 5.87 5.87 0.00 0.000 -0.22957E-09 5 H2S,gas -7.10 -7.10 -0.00 -0.000 0.73949E-09 6 CO,gas -0.61 -0.61 -0.00 -0.000 0.38630E-11 7 SO2,gas -5.98 -5.98 0.00 0.000 0.00000E+00 8 HF,gas -3.23 -3.23 0.00 0.000 0.00000E+00 9 HCl,gas 0.87 0.87 -0.00 -0.000 0.55186E-12 10 Hg,gas -8.30 -8.30 0.00 0.000 -0.13245E-10 43 clinochlore 13.24 13.24 0.00 0.000 -0.22074E-10 44 daphnite 5.71 5.71 0.00 0.000 -0.44149E-10 45 chlorite-Mn 21.48 21.48 0.00 0.000 -0.52979E-10 146 quartz -2.10 -2.10 0.00 0.000 0.00000E+00 The following gases and minerals are presently EXCLUDED from matrix (Gases and minerals with log(Q/K) less than -5 are not listed below) Gas or Mineral Log K Log Q Log(Q/K) Log(Q/K)/S Affinity Log Fugacity 11 acmite 4.63 1.79 -2.84 -0.296 0.70702E+04 15 albite-high -3.69 -4.76 -1.07 -0.082 0.26632E+04 16 albite -4.15 -4.76 -0.61 -0.047 0.15099E+04 20 analcite -1.30 -2.66 -1.36 -0.151 0.33750E+04 21 andalusite -5.92 -8.52 -2.60 -0.260 0.64562E+04 22 andradite 21.74 18.24 -3.51 -0.182 0.87200E+04 23 grossular 11.95 9.35 -2.60 -0.130 0.64708E+04 25 ankerite -6.67 -8.62 -1.95 -0.325 0.48472E+04 26 annite 6.17 2.46 -3.71 -0.206 0.92209E+04 27 phlogopite 11.32 9.80 -1.52 -0.084 0.37671E+04 29 anorthite -1.71 -3.27 -1.56 -0.120 0.38716E+04 32 aragonite -1.48 -1.98 -0.50 -0.166 0.12385E+04 33 brucite 7.85 5.15 -2.71 -0.542 0.67296E+04 34 calcite -1.63 -1.98 -0.35 -0.116 0.86448E+03 35 carnegieite-low 2.49 -0.55 -3.05 -0.435 0.75710E+04 36 carnegieite-high 2.98 -0.55 -3.53 -0.504 0.87747E+04 37 carpholite-Mg -3.27 -5.48 -2.21 -0.147 0.54906E+04 38 carpholite-Fe -4.68 -7.93 -3.25 -0.217 0.80840E+04 39 celadonite -0.24 -2.59 -2.36 -0.139 0.58585E+04 40 celadonite-Fe -1.51 -5.04 -3.53 -0.208 0.87804E+04 41 chrysotile 13.50 11.23 -2.27 -0.189 0.56363E+04 46 chlorite-Al-free 26.75 22.46 -4.29 -0.179 0.10659E+05 47 chloritoid-Mg -0.81 -3.38 -2.56 -0.171 0.63678E+04 48 chloritoid-Fe -3.52 -5.82 -2.31 -0.154 0.57313E+04 49 chloritoid-Mn -1.31 -6.29 -4.98 -0.332 0.12374E+05 51 coesite -1.66 -2.10 -0.44 -0.148 0.11053E+04 56 corundum -3.54 -6.42 -2.87 -0.261 0.71411E+04 58 cristobalite -1.91 -2.10 -0.19 -0.065 0.48306E+03 61 cymrite-K -2.13 -5.64 -3.51 -0.292 0.87208E+04 63 diaspore -2.10 -3.21 -1.11 -0.185 0.27568E+04 64 diamond -1.79 -3.48 -1.69 -0.482 0.41914E+04 65 diopside 8.99 8.30 -0.69 -0.069 0.17173E+04 66 hedenbergite 7.49 5.85 -1.64 -0.164 0.40678E+04 67 dolomite,ordered -4.69 -6.17 -1.48 -0.247 0.36861E+04 68 eastonite 4.45 0.34 -4.11 -0.158 0.10212E+05 69 enstatite 8.74 6.08 -2.66 -0.266 0.66001E+04 70 clinoenstatite-HiP 9.50 6.08 -3.42 -0.342 0.84928E+04 71 clinoenstatite 8.68 6.08 -2.59 -0.259 0.64449E+04 72 protoenstatite 9.05 6.08 -2.97 -0.297 0.73724E+04 73 epidote 5.02 3.22 -1.80 -0.087 0.44690E+04 74 clinozoisite 0.80 -1.22 -2.02 -0.092 0.50245E+04 75 epidote-Fe 11.59 7.67 -3.92 -0.204 0.97485E+04 76 fayalite 6.36 3.29 -3.07 -0.439 0.76316E+04 77 ferrosilite 4.37 1.19 -3.18 -0.318 0.79121E+04 78 forsterite 11.32 8.19 -3.13 -0.448 0.77885E+04 81 gibbsite -0.71 -3.21 -2.50 -0.357 0.62130E+04 82 glaucophane 5.51 1.71 -3.80 -0.103 0.94512E+04 84 goethite 3.08 1.23 -1.85 -0.400 0.45944E+04 85 graphite -2.16 -3.48 -1.31 -0.375 0.32634E+04 86 greenalite 7.84 3.89 -3.95 -0.329 0.98225E+04 88 halite 0.77 -3.40 -4.16 -2.082 0.10347E+05 89 hematite 5.21 2.47 -2.74 -0.332 0.68132E+04 90 heulandite -12.80 -13.79 -0.99 -0.045 0.24645E+04 91 hercynite 0.82 -3.72 -4.54 -0.303 0.11289E+05 94 jadeite -0.43 -2.66 -2.23 -0.223 0.55466E+04 96 kalsilite 1.70 -1.43 -3.12 -0.446 0.77659E+04 97 kaolinite -8.54 -10.63 -2.09 -0.190 0.51971E+04 98 kyanite -5.86 -8.52 -2.66 -0.266 0.66218E+04 100 laumontite -6.16 -7.48 -1.31 -0.088 0.32646E+04 101 lawsonite -1.50 -3.27 -1.77 -0.118 0.43934E+04 102 leucite -1.04 -3.53 -2.49 -0.249 0.61980E+04 104 lizardite 13.27 11.23 -2.04 -0.170 0.50789E+04 105 magnesite -2.43 -4.19 -1.76 -0.586 0.43672E+04 106 magnetite 8.69 5.17 -3.53 -0.288 0.87622E+04 107 minnesotaite 3.06 -0.32 -3.38 -0.199 0.84084E+04 108 minnesotaite-Mg 10.41 7.02 -3.39 -0.199 0.84189E+04 112 margarite -6.65 -9.68 -3.03 -0.121 0.75328E+04 115 microcline -5.23 -5.64 -0.40 -0.031 0.10047E+04 116 monticellite 14.53 10.40 -4.12 -0.589 0.10249E+05 118 mullite-Si -4.51 -8.52 -4.01 -0.401 0.99634E+04 119 muscovite -10.14 -12.05 -1.91 -0.113 0.47547E+04 120 paragonite -9.22 -11.18 -1.96 -0.115 0.48598E+04 121 nepheline 1.99 -0.55 -2.55 -0.364 0.63268E+04 126 periclase 9.56 5.15 -4.41 -1.103 0.10967E+05 127 periclase-Fe 6.31 2.70 -3.61 -0.902 0.89696E+04 133 phlogopite-Na 12.75 10.68 -2.07 -0.115 0.51376E+04 135 prehnite 3.44 1.99 -1.45 -0.086 0.36161E+04 136 prehnite-Fe 8.39 6.43 -1.95 -0.118 0.48557E+04 137 pumpellyite-Fe 7.98 3.47 -4.52 -0.100 0.11222E+05 138 pumpellyite-Mg 9.93 5.92 -4.01 -0.089 0.99691E+04 140 px-Ca-tschermaks 2.80 -1.16 -3.96 -0.283 0.98405E+04 141 pyrite -19.74 -20.23 -0.50 -0.117 0.12334E+04 142 pyrrhotite -6.21 -7.30 -1.10 -0.365 0.27235E+04 143 pyrrhotiteFe0.875 -7.30 -8.00 -0.70 -0.258 0.17459E+04 144 pyroxmangite 4.08 0.13 -3.95 -0.789 0.98098E+04 145 pyrophyllite -12.74 -14.84 -2.09 -0.131 0.52024E+04 149 ringwoodite-Fe 7.54 3.29 -4.25 -0.607 0.10559E+05 151 rhodochrosite -3.00 -7.10 -4.10 -1.367 0.10195E+05 152 rhodonite 4.09 0.13 -3.96 -0.792 0.98409E+04 153 sanidine -4.40 -5.64 -1.24 -0.095 0.30711E+04 155 siderite -4.76 -6.64 -1.87 -0.625 0.46597E+04 156 sillimanite -5.79 -8.52 -2.73 -0.273 0.67930E+04 158 spinel 3.44 -1.27 -4.71 -0.314 0.11718E+05 163 stilbite -11.43 -13.79 -2.36 -0.112 0.58624E+04 164 stilpnomelane-Fe -3.71 -7.82 -4.11 -0.123 0.10213E+05 165 stilpnomelane-Mg 5.62 4.42 -1.20 -0.036 0.29919E+04 166 stishovite 2.09 -2.10 -4.20 -1.400 0.10436E+05 168 sudoite -4.37 -8.86 -4.49 -0.145 0.11149E+05 169 sulfur -8.91 -12.93 -4.02 -1.238 0.10003E+05 171 talc 7.66 7.02 -0.64 -0.038 0.15963E+04 173 talc-tschermaks 1.48 -2.44 -3.92 -0.230 0.97309E+04 178 topaz-H -4.93 -8.52 -3.59 -0.327 0.89294E+04 179 tridymite -1.93 -2.10 -0.17 -0.057 0.42778E+03 180 tremolite 24.84 23.62 -1.22 -0.033 0.30370E+04 182 troilite-low -6.22 -7.30 -1.08 -0.361 0.26896E+04 183 tschermakite 9.45 4.70 -4.75 -0.128 0.11806E+05 186 wadsleyite-Fe 7.57 3.29 -4.27 -0.611 0.10624E+05 188 wairakite -6.72 -7.48 -0.76 -0.045 0.18914E+04 189 walstromite 7.23 5.26 -1.97 -0.395 0.49069E+04 190 wollastonite 6.53 5.26 -1.27 -0.254 0.31573E+04 191 pseudo-wollastonite 6.82 5.26 -1.56 -0.313 0.38867E+04 192 zoisite 0.83 -1.22 -2.05 -0.093 0.50968E+04 193 beidellite-Ca -11.33 -13.99 -2.66 -0.164 0.66085E+04 194 beidellite-H -11.61 -15.20 -3.60 -0.229 0.89359E+04 195 beidellite-K -10.65 -13.92 -3.26 -0.200 0.81131E+04 196 beidellite-Mg -11.58 -14.35 -2.78 -0.172 0.68988E+04 197 beidellite-Na -10.61 -13.63 -3.02 -0.185 0.75019E+04 198 bornite -66.79 -66.79 0.00 0.000 -0.35319E-10 200 chalcedony -1.98 -2.10 -0.13 -0.043 0.31912E+03 201 chalcocite -19.67 -21.21 -1.54 -0.386 0.38374E+04 202 covellite -15.00 -17.07 -2.07 -0.787 0.51343E+04 204 montmorillonite-Ca -9.24 -10.86 -1.63 -0.101 0.40405E+04 205 montmorillonite-K -8.70 -10.80 -2.09 -0.128 0.52058E+04 206 montmorillonite-Mg -9.51 -11.23 -1.72 -0.107 0.42832E+04 207 montmorillonite-Na -8.56 -10.51 -1.95 -0.119 0.48468E+04 209 nontronite-Ca -2.08 -5.10 -3.02 -0.196 0.74992E+04 210 nontronite-H -2.37 -6.32 -3.95 -0.265 0.98139E+04 211 nontronite-K -1.41 -5.03 -3.62 -0.232 0.90013E+04 212 nontronite-Mg -2.33 -5.47 -3.14 -0.204 0.77970E+04 213 nontronite-Na -1.37 -4.74 -3.38 -0.217 0.83933E+04 215 topaz -24.99 -29.13 -4.15 -0.461 0.10308E+05 229 tobermorite 7.96 4.03 -3.93 -1.072 0.97660E+04 235 alabandite -3.51 -7.77 -4.26 -1.420 0.10584E+05 240 boehmite -1.31 -3.21 -1.90 -0.317 0.47268E+04 242 chalcopyrite -24.26 -24.37 -0.11 -0.021 0.28040E+03 245 copper,native -0.75 -4.14 -3.39 -1.180 0.84312E+04 246 dolomite,disordered -4.40 -6.17 -1.77 -0.295 0.43980E+04 247 ferrous-oxide 5.00 2.70 -2.30 -0.576 0.57214E+04 248 fluorite -11.96 -13.25 -1.29 -0.430 0.32044E+04 249 galena -10.07 -11.06 -0.99 -0.329 0.24557E+04 257 silica-amorphous -1.64 -2.10 -0.46 -0.155 0.11547E+04 260 sphalerite -10.25 -12.05 -1.80 -0.600 0.44705E+04 261 wurtzite -9.00 -12.05 -3.05 -1.017 0.75864E+04 263 an20ab80 -3.88 -4.46 -0.58 -0.045 0.14430E+04 264 an25ab75 -3.79 -4.39 -0.60 -0.046 0.14936E+04 265 an30ab70 -3.69 -4.31 -0.63 -0.048 0.15599E+04 266 tr.625ac.25prg.125 20.50 19.83 -0.67 -0.018 0.16542E+04 271 FeS-amorphous -4.31 -7.30 -2.99 -0.997 0.74314E+04 ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ Test file for CHIM-XPT. Boil Broadlands Water Water similar to Broadlands Well No. 2 CHIMRUN demo-2a ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ Number of loops used = 8 Loop limit = 200 Temperature = 270.00 C Pressure = 59.05 bar Mixer fraction = 0.0000000 Total current enthalpy = 296.5306 KCAL Water: Moles liquid = 0.5391E+02 kg liquid = 0.9712E+00 Moles total = 0.5551E+02 kg total = 0.1000E+01 Activity = 0.9991 Stoichiometric ionic strength = .5834259E-01 Osmotic coef. = 0.8774 True ionic strength = .3234738E-01 Chg. balance for total moles = 0.2402E-07 Max. difference allowed = 0.3072E-05 Log Log Log Species(n) Molality Molality Activity Activity Gamma Gamma 1 H+ 0.48623E-06 -6.3132 0.34034E-06 -6.4681 0.69996E+00 -0.1549 2 H2O 0.99912E+00 -0.0004 0.99912E+00 -0.0004 3 Cl- 0.29701E-01 -1.5272 0.20459E-01 -1.6891 0.68885E+00 -0.1619 4 SO4-- 0.65584E-08 -8.1832 0.16367E-08 -8.7860 0.24956E+00 -0.6028 5 HCO3- 0.19438E-02 -2.7113 0.13482E-02 -2.8702 0.69359E+00 -0.1589 6 HS- 0.42530E-03 -3.3713 0.29318E-03 -3.5329 0.68935E+00 -0.1616 7 H4SiO4 0.78471E-02 -2.1053 0.78471E-02 -2.1053 0.10000E+01 0.0000 8 Al+++ 0.56747E-21 -21.2461 0.24408E-22 -22.6125 0.43012E-01 -1.3664 9 Ca++ 0.10924E-04 -4.9616 0.26589E-05 -5.5753 0.24339E+00 -0.6137 10 Mg++ 0.68671E-07 -7.1632 0.16394E-07 -7.7853 0.23873E+00 -0.6221 11 Fe++ 0.22320E-09 -9.6513 0.53540E-10 -10.2713 0.23988E+00 -0.6200 12 K+ 0.37778E-02 -2.4228 0.26253E-02 -2.5808 0.69492E+00 -0.1581 13 Na+ 0.28511E-01 -1.5450 0.19649E-01 -1.7067 0.68919E+00 -0.1617 14 Mn++ 0.82729E-10 -10.0823 0.19916E-10 -10.7008 0.24073E+00 -0.6185 15 Zn++ 0.42940E-14 -14.3671 0.10301E-14 -14.9871 0.23988E+00 -0.6200 16 Cu+ 0.11453E-11 -11.9411 0.78916E-12 -12.1028 0.68902E+00 -0.1618 17 Pb++ 0.41281E-13 -13.3842 0.10166E-13 -13.9928 0.24627E+00 -0.6086 18 Hg++ 0.43944E-32 -32.3571 0.10762E-32 -32.9681 0.24490E+00 -0.6110 19 F- 0.21379E-03 -3.6700 0.14537E-03 -3.8375 0.67994E+00 -0.1675 21 HSiO3- 0.21814E-04 -4.6613 0.15027E-04 -4.8231 0.68885E+00 -0.1619 22 Ca(HSiO3)+ 0.74754E-07 -7.1264 0.51994E-07 -7.2840 0.69553E+00 -0.1577 23 Mg(HSiO3)+ 0.29809E-09 -9.5257 0.20733E-09 -9.6833 0.69553E+00 -0.1577 24 NaHSiO3,aq 0.50161E-05 -5.2996 0.50161E-05 -5.2996 0.10000E+01 0.0000 27 HAlO2,aq 0.10769E-07 -7.9678 0.10769E-07 -7.9678 0.10000E+01 0.0000 28 AlO2- 0.21906E-05 -5.6594 0.14926E-05 -5.8261 0.68135E+00 -0.1666 29 CH4,aq 0.35435E-03 -3.4506 0.34855E-03 -3.4577 0.98363E+00 -0.0072 30 C2H6,aq 0.14309E-09 -9.8444 0.14075E-09 -9.8516 0.98363E+00 -0.0072 34 CO,aq 0.39146E-06 -6.4073 0.39146E-06 -6.4073 0.10000E+01 0.0000 35 CO2,aq 0.45796E-01 -1.3392 0.45046E-01 -1.3463 0.98363E+00 -0.0072 36 CO3-2 0.13234E-06 -6.8783 0.32758E-07 -7.4847 0.24753E+00 -0.6064 37 CaCO3,aq 0.45150E-06 -6.3453 0.45150E-06 -6.3453 0.10000E+01 0.0000 38 Ca(HCO3)+ 0.10959E-04 -4.9602 0.76224E-05 -5.1179 0.69553E+00 -0.1577 39 CaCl+ 0.11543E-04 -4.9377 0.80283E-05 -5.0954 0.69553E+00 -0.1577 40 CaCl2,aq 0.21005E-06 -6.6777 0.21005E-06 -6.6777 0.10000E+01 0.0000 41 CaF+ 0.88024E-06 -6.0554 0.61224E-06 -6.2131 0.69553E+00 -0.1577 42 CaOH+ 0.16287E-05 -5.7882 0.11328E-05 -5.9458 0.69553E+00 -0.1577 43 CaSO4,aq 0.14142E-09 -9.8495 0.14142E-09 -9.8495 0.10000E+01 0.0000 44 HCl,aq 0.32099E-07 -7.4935 0.32099E-07 -7.4935 0.10000E+01 0.0000 53 CuCl,aq 0.20131E-09 -9.6961 0.20131E-09 -9.6961 0.10000E+01 0.0000 54 CuCl2- 0.13673E-09 -9.8641 0.94186E-10 -10.0260 0.68885E+00 -0.1619 61 HF,aq 0.24630E-04 -4.6085 0.24630E-04 -4.6085 0.10000E+01 0.0000 62 HF2- 0.15140E-08 -8.8199 0.10429E-08 -8.9818 0.68885E+00 -0.1619 64 FeCl+ 0.14431E-09 -9.8407 0.10037E-09 -9.9984 0.69553E+00 -0.1577 65 FeCl2,aq 0.16638E-10 -10.7789 0.16638E-10 -10.7789 0.10000E+01 0.0000 67 FeF+ 0.22513E-10 -10.6476 0.15658E-10 -10.8053 0.69553E+00 -0.1577 69 FeO,aq 0.16761E-08 -8.7757 0.16761E-08 -8.7757 0.10000E+01 0.0000 70 FeOH+ 0.16223E-08 -8.7899 0.11284E-08 -8.9475 0.69553E+00 -0.1577 71 HFeO2- 0.24802E-09 -9.6055 0.17085E-09 -9.7674 0.68885E+00 -0.1619 74 FeO2- 0.23663E-09 -9.6259 0.16300E-09 -9.7878 0.68885E+00 -0.1619 75 HFeO2,aq 0.11815E-09 -9.9276 0.11815E-09 -9.9276 0.10000E+01 0.0000 76 H2,aq 0.20394E-03 -3.6905 0.20060E-03 -3.6977 0.98363E+00 -0.0072 77 Hg,aq 0.96358E-09 -9.0161 0.94780E-09 -9.0233 0.98363E+00 -0.0072 90 KCl,aq 0.47985E-04 -4.3189 0.47985E-04 -4.3189 0.10000E+01 0.0000 92 KOH,aq 0.28085E-06 -6.5515 0.28085E-06 -6.5515 0.10000E+01 0.0000 93 KSO4- 0.28593E-08 -8.5437 0.19696E-08 -8.7056 0.68885E+00 -0.1619 94 MgCO3,aq 0.28518E-09 -9.5449 0.28518E-09 -9.5449 0.10000E+01 0.0000 95 Mg(HCO3)+ 0.59337E-07 -7.2267 0.41271E-07 -7.3844 0.69553E+00 -0.1577 96 MgCl+ 0.31586E-07 -7.5005 0.21969E-07 -7.6582 0.69553E+00 -0.1577 97 MgF+ 0.14203E-07 -7.8476 0.98789E-08 -8.0053 0.69553E+00 -0.1577 98 MgOH+ 0.30355E-07 -7.5178 0.21113E-07 -7.6755 0.69553E+00 -0.1577 101 MnO,aq 0.17862E-10 -10.7481 0.17862E-10 -10.7481 0.10000E+01 0.0000 102 MnOH+ 0.91980E-10 -10.0363 0.63975E-10 -10.1940 0.69553E+00 -0.1577 107 MnCl+ 0.12388E-08 -8.9070 0.86164E-09 -9.0647 0.69553E+00 -0.1577 109 NaCl,aq 0.18714E-02 -2.7278 0.18714E-02 -2.7278 0.10000E+01 0.0000 110 NaF,aq 0.11290E-04 -4.9473 0.11290E-04 -4.9473 0.10000E+01 0.0000 111 NaOH,aq 0.13180E-05 -5.8801 0.13180E-05 -5.8801 0.10000E+01 0.0000 113 OH- 0.27970E-04 -4.5533 0.19057E-04 -4.7199 0.68135E+00 -0.1666 124 Pb(HS)2,aq 0.11099E-07 -7.9547 0.11099E-07 -7.9547 0.10000E+01 0.0000 125 Pb(HS)3- 0.23721E-09 -9.6249 0.16340E-09 -9.7868 0.68885E+00 -0.1619 126 H2S,aq 0.27712E-02 -2.5573 0.27258E-02 -2.5645 0.98363E+00 -0.0072 127 S2-2 0.10227E-09 -9.9902 0.25315E-10 -10.5966 0.24753E+00 -0.6064 134 HSO3- 0.22057E-10 -10.6564 0.15194E-10 -10.8183 0.68885E+00 -0.1619 135 HSO4- 0.32539E-09 -9.4876 0.22703E-09 -9.6439 0.69772E+00 -0.1563 154 ZnOH+ 0.50142E-10 -10.2998 0.34875E-10 -10.4575 0.69553E+00 -0.1577 158 AlF2+ 0.26826E-09 -9.5715 0.18658E-09 -9.7291 0.69553E+00 -0.1577 159 AlF3,aq 0.33739E-07 -7.4719 0.33739E-07 -7.4719 0.10000E+01 0.0000 160 AlF4- 0.67247E-07 -7.1723 0.46323E-07 -7.3342 0.68885E+00 -0.1619 161 AlF5-- 0.12185E-08 -8.9142 0.30162E-09 -9.5205 0.24753E+00 -0.6064 164 Cu(HS)2- 0.63814E-07 -7.1951 0.43958E-07 -7.3570 0.68885E+00 -0.1619 165 CuH4S3-a 0.25988E-10 -10.5852 0.17902E-10 -10.7471 0.68885E+00 -0.1619 166 CuH4S3-b 0.46384E-10 -10.3336 0.31952E-10 -10.4955 0.68885E+00 -0.1619 180 MnCl2,aq 0.12094E-08 -8.9174 0.12094E-08 -8.9174 0.10000E+01 0.0000 181 MnCl3- 0.16724E-09 -9.7767 0.11520E-09 -9.9385 0.68885E+00 -0.1619 183 NaCO3- 0.46033E-07 -7.3369 0.31709E-07 -7.4988 0.68885E+00 -0.1619 184 NaHCO3,aq 0.92791E-04 -4.0325 0.92791E-04 -4.0325 0.10000E+01 0.0000 185 NaHS,aq 0.20178E-04 -4.6951 0.20178E-04 -4.6951 0.10000E+01 0.0000 186 NaSO4- 0.38583E-08 -8.4136 0.26577E-08 -8.5755 0.68885E+00 -0.1619 187 PbCO3,aq 0.24786E-10 -10.6058 0.24786E-10 -10.6058 0.10000E+01 0.0000 188 PbOH+ 0.30771E-10 -10.5119 0.21402E-10 -10.6695 0.69553E+00 -0.1577 189 PbH4S3,aq 0.31023E-10 -10.5083 0.31023E-10 -10.5083 0.10000E+01 0.0000 193 Zn(HS)2,aq 0.15529E-07 -7.8089 0.15529E-07 -7.8089 0.10000E+01 0.0000 194 Zn(HS)3- 0.16299E-09 -9.7878 0.11227E-09 -9.9497 0.68885E+00 -0.1619 Charge balance for all species = 0.2473E-07 Component Molality Aq.molality ppm log[A(N)/A(H+)**Z] (total) 1 H+ 0.4862287E-06 0.4847405E-01 0.4861637E+02 0.0000 2 H2O 0.1000000E+01 0.5546302E+02 0.9942225E+06 0.0000 3 Cl- 0.2970088E-01 0.3163226E-01 0.1115891E+04 4.7790 4 SO4-- 0.6558353E-08 -.4054201E-03 -.3875195E+02 4.1501 5 HCO3- 0.1943819E-02 0.4819899E-01 0.2926367E+04 3.5978 6 HS- 0.4253000E-03 0.3622269E-02 0.1192009E+03 2.9352 7 H4SiO4 0.7847144E-02 0.7874049E-02 0.7530602E+03 -2.1053 8 Al+++ 0.5674731E-21 0.2303891E-05 0.6185382E-01 -3.2082 9 Ca++ 0.1092427E-04 0.3667139E-04 0.1462420E+01 7.3609 10 Mg++ 0.6867068E-07 0.2047367E-06 0.4952847E-02 5.1509 11 Fe++ 0.2231966E-09 0.4308196E-08 0.2394053E-03 2.6648 12 K+ 0.3777752E-02 0.3826021E-02 0.1488623E+03 3.8873 13 Na+ 0.2851081E-01 0.3051282E-01 0.6980010E+03 4.7614 14 Mn++ 0.8272929E-10 0.2820760E-08 0.1541975E-03 2.2354 15 Zn++ 0.4294050E-14 0.1575426E-07 0.1024743E-02 -2.0510 16 Cu+ 0.1145334E-11 0.6422601E-07 0.4060661E-02 -5.6348 17 Pb++ 0.4128131E-13 0.1142956E-07 0.2356335E-02 -1.0567 18 Hg++ 0.4394447E-32 0.9759276E-09 0.1947895E-03 -20.0319 19 F- 0.2137938E-03 0.2509880E-03 0.4744597E+01 2.6305 Component Tot moles Aq. moles Solid moles Gas moles 1 H+ 0.1822172E+00 0.4707634E-01 -.1297645E-06 0.1351410E+00 2 H2O 0.5550825E+02 0.5386378E+02 -.4165809E-03 0.1644887E+01 3 Cl- 0.3072017E-01 0.3072017E-01 0.0000000E+00 0.1794344E-08 4 SO4-- -.4257700E-02 -.3937301E-03 0.0000000E+00 -.3863970E-02 5 HCO3- 0.1832100E+00 0.4680920E-01 0.0000000E+00 0.1364008E+00 6 HS- 0.9985820E-02 0.3517823E-02 0.0000000E+00 0.6467996E-02 7 H4SiO4 0.7855346E-02 0.7647007E-02 0.2083391E-03 0.0000000E+00 8 Al+++ 0.2253680E-05 0.2237460E-05 0.1622057E-07 0.0000000E+00 9 Ca++ 0.3561400E-04 0.3561400E-04 0.0000000E+00 0.0000000E+00 10 Mg++ 0.2355503E-06 0.1988333E-06 0.3671702E-07 0.0000000E+00 11 Fe++ 0.8017372E-08 0.4183972E-08 0.3833400E-08 0.0000000E+00 12 K+ 0.3715700E-02 0.3715700E-02 0.0000000E+00 0.0000000E+00 13 Na+ 0.2963300E-01 0.2963300E-01 0.0000000E+00 0.0000000E+00 14 Mn++ 0.2740424E-08 0.2739425E-08 0.9988022E-12 0.0000000E+00 15 Zn++ 0.1530000E-07 0.1530000E-07 0.0000000E+00 0.0000000E+00 16 Cu+ 0.6237410E-07 0.6237410E-07 0.0000000E+00 0.0000000E+00 17 Pb++ 0.1110000E-07 0.1110000E-07 0.0000000E+00 0.0000000E+00 18 Hg++ 0.4000000E-08 0.9477874E-09 0.0000000E+00 0.3052213E-08 19 F- 0.2439100E-03 0.2437509E-03 0.0000000E+00 0.1591034E-06 Chg. balance for solid moles: -.2405E-16 Mass of aqueous solution: 0.976011E+03 g Temperature = 270.00 C Pressure = 59.05 bar Mixer frac. = 0.0000000 Log Log Vol Gas or mineral Moles Moles Grams Grams Wt.% (cm3) H2O,gas 1.772 0.249 31.92 1.504 84.17 1035. CO2,gas 0.1331 -0.876 5.856 0.768 15.44 110.3 CH4,gas 0.3326E-02 -2.478 0.5335E-01 -1.273 0.1407 3.082 H2,gas 0.2148E-02 -2.668 0.4339E-02 -2.363 0.1144E-01 1.678 H2S,gas 0.2604E-02 -2.584 0.8875E-01 -1.052 0.2340 1.853 CO,gas 0.3050E-05 -5.516 0.8542E-04 -4.068 0.2252E-03 0.2332E-02 SO2,gas 0.2975E-12 -12.526 0.1906E-10 -10.720 0.5025E-10 0.2275E-09 HF,gas 0.1591E-06 -6.798 0.3182E-05 -5.497 0.8390E-05 0.1217E-03 HCl,gas 0.1794E-08 -8.746 0.6542E-07 -7.184 0.1725E-06 0.1372E-05 Hg,gas 0.3052E-08 -8.515 0.6122E-06 -6.213 0.1614E-05 0.2334E-05 clinochlore 0.7343E-08 -8.134 0.4082E-05 -5.389 0.3260E-01 0.1553E-05 daphnite 0.7667E-09 -9.115 0.5470E-06 -6.262 0.4369E-02 0.1658E-06 chlorite-Mn 0.1998E-12 -12.699 0.1416E-09 -9.849 0.1131E-05 0.4513E-10 quartz 0.2083E-03 -3.681 0.1252E-01 -1.903 99.96 0.4726E-02 Partial press. Fugacity coef Log fugacity Gas or Mineral Mole fraction or activity Activity coef Log activity H2O,gas 0.9262E+00 0.5470E+02 0.8182 1.651 CO2,gas 0.6954E-01 0.4106E+01 0.9760 0.603 CH4,gas 0.1738E-02 0.1026E+00 1.1741 -0.919 H2,gas 0.1122E-02 0.6628E-01 1.0217 -1.169 H2S,gas 0.1361E-02 0.8036E-01 0.9298 -1.127 CO,gas 0.1594E-05 0.9410E-04 1.0000 -4.026 SO2,gas 0.1555E-12 0.9181E-11 1.0000 -11.037 HF,gas 0.8314E-07 0.4910E-05 1.0000 -5.309 HCl,gas 0.9377E-09 0.5537E-07 1.0000 -7.257 Hg,gas 0.1595E-08 0.9419E-07 1.0000 -7.026 clinochlore 0.9054E+00 0.9054E+00 1.0000 -0.043 daphnite 0.9453E-01 0.9453E-01 1.0000 -1.024 chlorite-Mn 0.2463E-04 0.2463E-04 1.0000 -4.609 quartz 0.1000E+01 0.1000E+01 1.0000 0.000 Current weight percent of gas: 3.740375 % Solid products produced: Mass = 0.012520 g Volume = 0.004728 cm3 WARNING: mineral volume may be in error because some mineral densities were not supplied in SOLTHERM. See mineral list in file Skip_Species.txt. NON-Ideal mixing with H2O, CO2, CH4 Gases ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ The following gases and minerals are presently in matrix or were just added Gas or Mineral Log K Log Q Log(Q/K) Log(Q/K)/S Affinity Log Fugacity 1 H2O,gas 0.12 0.12 -0.00 -0.000 0.22288E-09 2 CO2,gas -8.17 -8.17 0.00 0.000 -0.48564E-10 3 CH4,gas 5.07 5.07 0.00 0.000 -0.15231E-09 4 H2,gas 5.87 5.87 0.00 0.000 -0.19867E-10 5 H2S,gas -7.10 -7.10 -0.00 -0.000 0.61809E-10 6 CO,gas -0.61 -0.61 -0.00 -0.000 0.16556E-11 7 SO2,gas -5.98 -5.98 0.00 0.000 -0.44149E-11 8 HF,gas -3.23 -3.23 0.00 0.000 -0.22074E-11 9 HCl,gas 0.87 0.87 -0.00 -0.000 0.55186E-12 10 Hg,gas -8.30 -8.30 0.00 0.000 -0.88298E-11 43 clinochlore 13.24 13.24 0.00 0.000 -0.35319E-10 44 daphnite 5.71 5.71 0.00 0.000 -0.13245E-10 45 chlorite-Mn 21.48 21.48 0.00 0.000 -0.88298E-11 146 quartz -2.10 -2.10 0.00 0.000 0.00000E+00 The following gases and minerals are presently EXCLUDED from matrix (Gases and minerals with log(Q/K) less than -5 are not listed below) Gas or Mineral Log K Log Q Log(Q/K) Log(Q/K)/S Affinity Log Fugacity 11 acmite 4.63 1.75 -2.88 -0.299 0.71557E+04 15 albite-high -3.69 -4.76 -1.07 -0.082 0.26628E+04 16 albite -4.15 -4.76 -0.61 -0.047 0.15095E+04 20 analcite -1.30 -2.66 -1.36 -0.151 0.33746E+04 21 andalusite -5.92 -8.52 -2.60 -0.260 0.64553E+04 22 andradite 21.74 18.17 -3.58 -0.186 0.88910E+04 23 grossular 11.95 9.35 -2.60 -0.130 0.64700E+04 25 ankerite -6.67 -8.65 -1.98 -0.331 0.49327E+04 26 annite 6.17 2.36 -3.81 -0.212 0.94771E+04 27 phlogopite 11.32 9.82 -1.50 -0.084 0.37392E+04 29 anorthite -1.71 -3.27 -1.56 -0.120 0.38707E+04 32 aragonite -1.48 -1.98 -0.50 -0.166 0.12385E+04 33 brucite 7.85 5.15 -2.70 -0.541 0.67204E+04 34 calcite -1.63 -1.98 -0.35 -0.116 0.86447E+03 35 carnegieite-low 2.49 -0.55 -3.05 -0.435 0.75706E+04 36 carnegieite-high 2.98 -0.55 -3.53 -0.504 0.87743E+04 37 carpholite-Mg -3.27 -5.48 -2.21 -0.147 0.54806E+04 38 carpholite-Fe -4.68 -7.96 -3.29 -0.219 0.81687E+04 39 celadonite -0.24 -2.59 -2.35 -0.138 0.58490E+04 40 celadonite-Fe -1.51 -5.08 -3.57 -0.210 0.88655E+04 41 chrysotile 13.50 11.24 -2.26 -0.188 0.56089E+04 46 chlorite-Al-free 26.75 22.48 -4.27 -0.178 0.10604E+05 47 chloritoid-Mg -0.81 -3.37 -2.56 -0.171 0.63578E+04 48 chloritoid-Fe -3.52 -5.86 -2.34 -0.156 0.58160E+04 49 chloritoid-Mn -1.31 -6.29 -4.98 -0.332 0.12373E+05 51 coesite -1.66 -2.10 -0.44 -0.148 0.11053E+04 56 corundum -3.54 -6.42 -2.87 -0.261 0.71403E+04 58 cristobalite -1.91 -2.10 -0.19 -0.065 0.48306E+03 61 cymrite-K -2.13 -5.64 -3.51 -0.292 0.87203E+04 63 diaspore -2.10 -3.21 -1.11 -0.185 0.27564E+04 64 diamond -1.79 -3.48 -1.69 -0.482 0.41914E+04 65 diopside 8.99 8.30 -0.69 -0.069 0.17082E+04 66 hedenbergite 7.49 5.82 -1.67 -0.167 0.41533E+04 67 dolomite,ordered -4.69 -6.16 -1.48 -0.247 0.36770E+04 68 eastonite 4.45 0.35 -4.10 -0.158 0.10192E+05 69 enstatite 8.74 6.09 -2.65 -0.265 0.65818E+04 70 clinoenstatite-HiP 9.50 6.09 -3.41 -0.341 0.84746E+04 71 clinoenstatite 8.68 6.09 -2.59 -0.259 0.64266E+04 72 protoenstatite 9.05 6.09 -2.96 -0.296 0.73542E+04 73 epidote 5.02 3.19 -1.83 -0.089 0.45536E+04 74 clinozoisite 0.80 -1.22 -2.02 -0.092 0.50232E+04 75 epidote-Fe 11.59 7.60 -3.99 -0.207 0.99191E+04 76 fayalite 6.36 3.22 -3.14 -0.448 0.78026E+04 77 ferrosilite 4.37 1.12 -3.25 -0.325 0.80832E+04 78 forsterite 11.32 8.20 -3.13 -0.447 0.77702E+04 81 gibbsite -0.71 -3.21 -2.50 -0.357 0.62125E+04 82 glaucophane 5.51 1.72 -3.79 -0.102 0.94229E+04 84 goethite 3.08 1.20 -1.88 -0.407 0.46800E+04 85 graphite -2.16 -3.48 -1.31 -0.375 0.32634E+04 86 greenalite 7.84 3.78 -4.06 -0.338 0.10079E+05 88 halite 0.77 -3.40 -4.16 -2.082 0.10347E+05 89 hematite 5.21 2.40 -2.81 -0.341 0.69842E+04 90 heulandite -12.80 -13.79 -0.99 -0.045 0.24636E+04 91 hercynite 0.82 -3.75 -4.58 -0.305 0.11374E+05 94 jadeite -0.43 -2.66 -2.23 -0.223 0.55462E+04 96 kalsilite 1.70 -1.43 -3.12 -0.446 0.77655E+04 97 kaolinite -8.54 -10.63 -2.09 -0.190 0.51963E+04 98 kyanite -5.86 -8.52 -2.66 -0.266 0.66209E+04 100 laumontite -6.16 -7.48 -1.31 -0.088 0.32638E+04 101 lawsonite -1.50 -3.27 -1.77 -0.118 0.43925E+04 102 leucite -1.04 -3.53 -2.49 -0.249 0.61976E+04 104 lizardite 13.27 11.24 -2.03 -0.169 0.50515E+04 105 magnesite -2.43 -4.19 -1.75 -0.584 0.43580E+04 106 magnetite 8.69 5.06 -3.63 -0.296 0.90188E+04 107 minnesotaite 3.06 -0.43 -3.49 -0.205 0.86650E+04 108 minnesotaite-Mg 10.41 7.03 -3.38 -0.199 0.83914E+04 112 margarite -6.65 -9.68 -3.03 -0.121 0.75311E+04 115 microcline -5.23 -5.64 -0.40 -0.031 0.10043E+04 116 monticellite 14.53 10.41 -4.12 -0.589 0.10240E+05 118 mullite-Si -4.51 -8.52 -4.01 -0.401 0.99626E+04 119 muscovite -10.14 -12.05 -1.91 -0.113 0.47534E+04 120 paragonite -9.22 -11.18 -1.95 -0.115 0.48586E+04 121 nepheline 1.99 -0.55 -2.55 -0.364 0.63264E+04 126 periclase 9.56 5.15 -4.41 -1.102 0.10957E+05 127 periclase-Fe 6.31 2.66 -3.64 -0.911 0.90551E+04 133 phlogopite-Na 12.75 10.69 -2.06 -0.114 0.51097E+04 135 prehnite 3.44 1.99 -1.45 -0.086 0.36152E+04 136 prehnite-Fe 8.39 6.40 -1.99 -0.120 0.49408E+04 137 pumpellyite-Fe 7.98 3.43 -4.55 -0.101 0.11305E+05 138 pumpellyite-Mg 9.93 5.92 -4.01 -0.089 0.99578E+04 140 px-Ca-tschermaks 2.80 -1.16 -3.96 -0.283 0.98396E+04 141 pyrite -19.74 -20.27 -0.53 -0.125 0.13190E+04 142 pyrrhotite -6.21 -7.34 -1.13 -0.377 0.28090E+04 143 pyrrhotiteFe0.875 -7.30 -8.03 -0.73 -0.269 0.18208E+04 144 pyroxmangite 4.08 0.13 -3.95 -0.789 0.98098E+04 145 pyrophyllite -12.74 -14.84 -2.09 -0.131 0.52016E+04 149 ringwoodite-Fe 7.54 3.22 -4.32 -0.617 0.10730E+05 151 rhodochrosite -3.00 -7.10 -4.10 -1.367 0.10195E+05 152 rhodonite 4.09 0.13 -3.96 -0.792 0.98409E+04 153 sanidine -4.40 -5.64 -1.24 -0.095 0.30706E+04 155 siderite -4.76 -6.67 -1.91 -0.636 0.47453E+04 156 sillimanite -5.79 -8.52 -2.73 -0.273 0.67921E+04 158 spinel 3.44 -1.27 -4.71 -0.314 0.11708E+05 163 stilbite -11.43 -13.79 -2.36 -0.112 0.58615E+04 164 stilpnomelane-Fe -3.71 -7.99 -4.28 -0.128 0.10640E+05 165 stilpnomelane-Mg 5.62 4.44 -1.19 -0.035 0.29453E+04 166 stishovite 2.09 -2.10 -4.20 -1.400 0.10436E+05 168 sudoite -4.37 -8.85 -4.48 -0.144 0.11129E+05 169 sulfur -8.91 -12.93 -4.02 -1.238 0.10003E+05 171 talc 7.66 7.03 -0.63 -0.037 0.15689E+04 173 talc-tschermaks 1.48 -2.43 -3.91 -0.230 0.97118E+04 178 topaz-H -4.93 -8.52 -3.59 -0.327 0.89285E+04 179 tridymite -1.93 -2.10 -0.17 -0.057 0.42778E+03 180 tremolite 24.84 23.64 -1.20 -0.033 0.29913E+04 182 troilite-low -6.22 -7.34 -1.12 -0.372 0.27751E+04 183 tschermakite 9.45 4.71 -4.74 -0.128 0.11776E+05 186 wadsleyite-Fe 7.57 3.22 -4.34 -0.620 0.10795E+05 188 wairakite -6.72 -7.48 -0.76 -0.045 0.18905E+04 189 walstromite 7.23 5.26 -1.97 -0.395 0.49069E+04 190 wollastonite 6.53 5.26 -1.27 -0.254 0.31573E+04 191 pseudo-wollastonite 6.82 5.26 -1.56 -0.313 0.38867E+04 192 zoisite 0.83 -1.22 -2.05 -0.093 0.50955E+04 193 beidellite-Ca -11.33 -13.99 -2.66 -0.164 0.66075E+04 194 beidellite-H -11.61 -15.20 -3.59 -0.229 0.89349E+04 195 beidellite-K -10.65 -13.92 -3.26 -0.200 0.81121E+04 196 beidellite-Mg -11.58 -14.35 -2.77 -0.172 0.68963E+04 197 beidellite-Na -10.61 -13.63 -3.02 -0.185 0.75009E+04 198 bornite -66.79 -66.98 -0.18 -0.014 0.45646E+03 200 chalcedony -1.98 -2.10 -0.13 -0.043 0.31912E+03 201 chalcocite -19.67 -21.27 -1.60 -0.401 0.39858E+04 202 covellite -15.00 -17.10 -2.10 -0.798 0.52085E+04 204 montmorillonite-Ca -9.24 -10.86 -1.62 -0.100 0.40367E+04 205 montmorillonite-K -8.70 -10.79 -2.09 -0.128 0.52021E+04 206 montmorillonite-Mg -9.51 -11.23 -1.72 -0.106 0.42780E+04 207 montmorillonite-Na -8.56 -10.51 -1.95 -0.119 0.48431E+04 209 nontronite-Ca -2.08 -5.17 -3.09 -0.200 0.76701E+04 210 nontronite-H -2.37 -6.38 -4.02 -0.269 0.99848E+04 211 nontronite-K -1.41 -5.10 -3.69 -0.237 0.91722E+04 212 nontronite-Mg -2.33 -5.53 -3.21 -0.208 0.79664E+04 213 nontronite-Na -1.37 -4.81 -3.45 -0.221 0.85642E+04 215 topaz -24.99 -29.13 -4.15 -0.461 0.10307E+05 229 tobermorite 7.96 4.03 -3.93 -1.072 0.97660E+04 235 alabandite -3.51 -7.77 -4.26 -1.420 0.10584E+05 240 boehmite -1.31 -3.21 -1.90 -0.317 0.47264E+04 242 chalcopyrite -24.26 -24.44 -0.18 -0.033 0.44011E+03 245 copper,native -0.75 -4.17 -3.42 -1.190 0.85054E+04 246 dolomite,disordered -4.40 -6.16 -1.77 -0.294 0.43888E+04 247 ferrous-oxide 5.00 2.66 -2.34 -0.584 0.58069E+04 248 fluorite -11.96 -13.25 -1.29 -0.430 0.32044E+04 249 galena -10.07 -11.06 -0.99 -0.329 0.24557E+04 257 silica-amorphous -1.64 -2.10 -0.46 -0.155 0.11547E+04 260 sphalerite -10.25 -12.05 -1.80 -0.600 0.44705E+04 261 wurtzite -9.00 -12.05 -3.05 -1.017 0.75864E+04 263 an20ab80 -3.88 -4.46 -0.58 -0.045 0.14425E+04 264 an25ab75 -3.79 -4.39 -0.60 -0.046 0.14930E+04 265 an30ab70 -3.69 -4.31 -0.63 -0.048 0.15594E+04 266 tr.625ac.25prg.125 20.50 19.80 -0.70 -0.019 0.17278E+04 271 FeS-amorphous -4.31 -7.34 -3.02 -1.008 0.75169E+04 Calculations done for 270.0000 Deg. C; 59.0530 bar Enthalpies: Pure water 5.1001 kcal/mole H2O,gas 11.8850 kcal/mole CO2,gas 3.9009 kcal/mole CH4,gas 3.9010 kcal/mole Current solution 274.9324 Gas 21.5981 kcal Total current enthalpy 296.5306 kcal Starting enthalpy 296.5306 kcal Temperature changed by -2.000 degrees to 268.000 degrees C. Solids and gases carried ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ Test file for CHIM-XPT. Boil Broadlands Water Water similar to Broadlands Well No. 2 CHIMRUN demo-2a ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ Number of loops used = 16 Loop limit = 200 Temperature = 268.00 C Pressure = 56.62 bar Mixer fraction = 0.0000000 Total current enthalpy = 296.5306 KCAL Water: Moles liquid = 0.5357E+02 kg liquid = 0.9651E+00 Moles total = 0.5551E+02 kg total = 0.1000E+01 Activity = 0.9993 Stoichiometric ionic strength = .5494131E-01 Osmotic coef. = 0.8803 True ionic strength = .3261579E-01 Chg. balance for total moles = 0.2402E-07 Max. difference allowed = 0.3072E-05 Log Log Log Species(n) Molality Molality Activity Activity Gamma Gamma 1 H+ 0.44013E-06 -6.3564 0.30873E-06 -6.5104 0.70146E+00 -0.1540 2 H2O 0.99925E+00 -0.0003 0.99925E+00 -0.0003 3 Cl- 0.29948E-01 -1.5236 0.20676E-01 -1.6845 0.69041E+00 -0.1609 4 SO4-- 0.85009E-08 -8.0705 0.21387E-08 -8.6699 0.25158E+00 -0.5993 5 HCO3- 0.19373E-02 -2.7128 0.13467E-02 -2.8707 0.69513E+00 -0.1579 6 HS- 0.44197E-03 -3.3546 0.30536E-03 -3.5152 0.69091E+00 -0.1606 7 H4SiO4 0.77214E-02 -2.1123 0.77214E-02 -2.1123 0.10000E+01 0.0000 8 Al+++ 0.43979E-21 -21.3568 0.19263E-22 -22.7153 0.43801E-01 -1.3585 9 Ca++ 0.11395E-04 -4.9433 0.27961E-05 -5.5534 0.24539E+00 -0.6101 10 Mg++ 0.62975E-07 -7.2008 0.15160E-07 -7.8193 0.24073E+00 -0.6185 11 Fe++ 0.15950E-09 -9.7972 0.38580E-10 -10.4136 0.24187E+00 -0.6164 12 K+ 0.38035E-02 -2.4198 0.26490E-02 -2.5769 0.69646E+00 -0.1571 13 Na+ 0.28752E-01 -1.5413 0.19861E-01 -1.7020 0.69075E+00 -0.1607 14 Mn++ 0.89912E-10 -10.0462 0.21824E-10 -10.6611 0.24273E+00 -0.6149 15 Zn++ 0.43937E-14 -14.3572 0.10627E-14 -14.9736 0.24187E+00 -0.6164 16 Cu+ 0.98080E-12 -12.0084 0.67732E-12 -12.1692 0.69058E+00 -0.1608 17 Pb++ 0.40749E-13 -13.3899 0.10117E-13 -13.9949 0.24828E+00 -0.6051 18 Hg++ 0.29845E-32 -32.5251 0.73691E-33 -33.1326 0.24691E+00 -0.6075 19 F- 0.21879E-03 -3.6600 0.14911E-03 -3.8265 0.68154E+00 -0.1665 21 HSiO3- 0.24366E-04 -4.6132 0.16822E-04 -4.7741 0.69041E+00 -0.1609 22 Ca(HSiO3)+ 0.82144E-07 -7.0854 0.57260E-07 -7.2422 0.69707E+00 -0.1567 23 Mg(HSiO3)+ 0.29008E-09 -9.5375 0.20221E-09 -9.6942 0.69707E+00 -0.1567 24 NaHSiO3,aq 0.55340E-05 -5.2570 0.55340E-05 -5.2570 0.10000E+01 0.0000 27 HAlO2,aq 0.10179E-07 -7.9923 0.10179E-07 -7.9923 0.10000E+01 0.0000 28 AlO2- 0.22468E-05 -5.6484 0.15345E-05 -5.8140 0.68295E+00 -0.1656 29 CH4,aq 0.27884E-03 -3.5546 0.27450E-03 -3.5615 0.98446E+00 -0.0068 30 C2H6,aq 0.91282E-10 -10.0396 0.89863E-10 -10.0464 0.98446E+00 -0.0068 34 CO,aq 0.30392E-06 -6.5172 0.30392E-06 -6.5172 0.10000E+01 0.0000 35 CO2,aq 0.38719E-01 -1.4121 0.38117E-01 -1.4189 0.98446E+00 -0.0068 36 CO3-2 0.15223E-06 -6.8175 0.37988E-07 -7.4204 0.24955E+00 -0.6028 37 CaCO3,aq 0.49571E-06 -6.3048 0.49571E-06 -6.3048 0.10000E+01 0.0000 38 Ca(HCO3)+ 0.10689E-04 -4.9711 0.74507E-05 -5.1278 0.69707E+00 -0.1567 39 CaCl+ 0.11394E-04 -4.9433 0.79425E-05 -5.1000 0.69707E+00 -0.1567 40 CaCl2,aq 0.20112E-06 -6.6965 0.20112E-06 -6.6965 0.10000E+01 0.0000 41 CaF+ 0.87931E-06 -6.0559 0.61294E-06 -6.2126 0.69707E+00 -0.1567 42 CaOH+ 0.17666E-05 -5.7529 0.12315E-05 -5.9096 0.69707E+00 -0.1567 43 CaSO4,aq 0.17758E-09 -9.7506 0.17758E-09 -9.7506 0.10000E+01 0.0000 44 HCl,aq 0.27521E-07 -7.5603 0.27521E-07 -7.5603 0.10000E+01 0.0000 53 CuCl,aq 0.16955E-09 -9.7707 0.16955E-09 -9.7707 0.10000E+01 0.0000 54 CuCl2- 0.11533E-09 -9.9381 0.79622E-10 -10.0990 0.69041E+00 -0.1609 61 HF,aq 0.21544E-04 -4.6667 0.21544E-04 -4.6667 0.10000E+01 0.0000 62 HF2- 0.13595E-08 -8.8666 0.93863E-09 -9.0275 0.69041E+00 -0.1609 64 FeCl+ 0.98057E-10 -10.0085 0.68353E-10 -10.1652 0.69707E+00 -0.1567 65 FeCl2,aq 0.10043E-10 -10.9981 0.10043E-10 -10.9981 0.10000E+01 0.0000 67 FeF+ 0.15579E-10 -10.8075 0.10860E-10 -10.9642 0.69707E+00 -0.1567 69 FeO,aq 0.13276E-08 -8.8769 0.13276E-08 -8.8769 0.10000E+01 0.0000 70 FeOH+ 0.12255E-08 -8.9117 0.85425E-09 -9.0684 0.69707E+00 -0.1567 71 HFeO2- 0.21855E-09 -9.6604 0.15089E-09 -9.8213 0.69041E+00 -0.1609 74 FeO2- 0.20920E-09 -9.6794 0.14444E-09 -9.8403 0.69041E+00 -0.1609 75 HFeO2,aq 0.96889E-10 -10.0137 0.96889E-10 -10.0137 0.10000E+01 0.0000 76 H2,aq 0.18714E-03 -3.7278 0.18423E-03 -3.7346 0.98446E+00 -0.0068 77 Hg,aq 0.80277E-09 -9.0954 0.79029E-09 -9.1022 0.98446E+00 -0.0068 90 KCl,aq 0.46335E-04 -4.3341 0.46335E-04 -4.3341 0.10000E+01 0.0000 92 KOH,aq 0.30362E-06 -6.5177 0.30362E-06 -6.5177 0.10000E+01 0.0000 93 KSO4- 0.35475E-08 -8.4501 0.24492E-08 -8.6110 0.69041E+00 -0.1609 94 MgCO3,aq 0.27750E-09 -9.5567 0.27750E-09 -9.5567 0.10000E+01 0.0000 95 Mg(HCO3)+ 0.51052E-07 -7.2920 0.35587E-07 -7.4487 0.69707E+00 -0.1567 96 MgCl+ 0.27624E-07 -7.5587 0.19256E-07 -7.7154 0.69707E+00 -0.1567 97 MgF+ 0.12520E-07 -7.9024 0.87270E-08 -8.0591 0.69707E+00 -0.1567 98 MgOH+ 0.29019E-07 -7.5373 0.20228E-07 -7.6940 0.69707E+00 -0.1567 101 MnO,aq 0.21577E-10 -10.6660 0.21577E-10 -10.6660 0.10000E+01 0.0000 102 MnOH+ 0.10537E-09 -9.9773 0.73449E-10 -10.1340 0.69707E+00 -0.1567 107 MnCl+ 0.12592E-08 -8.8999 0.87773E-09 -9.0566 0.69707E+00 -0.1567 109 NaCl,aq 0.18254E-02 -2.7386 0.18254E-02 -2.7386 0.10000E+01 0.0000 110 NaF,aq 0.11147E-04 -4.9528 0.11147E-04 -4.9528 0.10000E+01 0.0000 111 NaOH,aq 0.14305E-05 -5.8445 0.14305E-05 -5.8445 0.10000E+01 0.0000 113 OH- 0.31040E-04 -4.5081 0.21199E-04 -4.6737 0.68295E+00 -0.1656 124 Pb(HS)2,aq 0.11163E-07 -7.9522 0.11163E-07 -7.9522 0.10000E+01 0.0000 125 Pb(HS)3- 0.24127E-09 -9.6175 0.16657E-09 -9.7784 0.69041E+00 -0.1609 126 H2S,aq 0.24774E-02 -2.6060 0.24389E-02 -2.6128 0.98446E+00 -0.0068 127 S2-2 0.11090E-09 -9.9551 0.27674E-10 -10.5579 0.24955E+00 -0.6028 134 HSO3- 0.22814E-10 -10.6418 0.15751E-10 -10.8027 0.69041E+00 -0.1609 135 HSO4- 0.35457E-09 -9.4503 0.24793E-09 -9.6057 0.69925E+00 -0.1554 154 ZnOH+ 0.53277E-10 -10.2735 0.37138E-10 -10.4302 0.69707E+00 -0.1567 158 AlF2+ 0.15213E-09 -9.8178 0.10605E-09 -9.9745 0.69707E+00 -0.1567 159 AlF3,aq 0.17728E-07 -7.7513 0.17728E-07 -7.7513 0.10000E+01 0.0000 160 AlF4- 0.33597E-07 -7.4737 0.23195E-07 -7.6346 0.69041E+00 -0.1609 161 AlF5-- 0.61404E-09 -9.2118 0.15323E-09 -9.8147 0.24955E+00 -0.6028 164 Cu(HS)2- 0.64277E-07 -7.1919 0.44377E-07 -7.3528 0.69041E+00 -0.1609 165 CuH4S3-a 0.21654E-10 -10.6645 0.14950E-10 -10.8254 0.69041E+00 -0.1609 166 CuH4S3-b 0.46033E-10 -10.3369 0.31782E-10 -10.4978 0.69041E+00 -0.1609 180 MnCl2,aq 0.11796E-08 -8.9283 0.11796E-08 -8.9283 0.10000E+01 0.0000 181 MnCl3- 0.16677E-09 -9.7779 0.11514E-09 -9.9388 0.69041E+00 -0.1609 182 MnCO3,aq 0.10994E-10 -10.9588 0.10994E-10 -10.9588 0.10000E+01 0.0000 183 NaCO3- 0.55937E-07 -7.2523 0.38619E-07 -7.4132 0.69041E+00 -0.1609 184 NaHCO3,aq 0.88889E-04 -4.0512 0.88889E-04 -4.0512 0.10000E+01 0.0000 185 NaHS,aq 0.20155E-04 -4.6956 0.20155E-04 -4.6956 0.10000E+01 0.0000 186 NaSO4- 0.48282E-08 -8.3162 0.33334E-08 -8.4771 0.69041E+00 -0.1609 187 PbCO3,aq 0.29993E-10 -10.5230 0.29993E-10 -10.5230 0.10000E+01 0.0000 188 PbOH+ 0.32572E-10 -10.4872 0.22705E-10 -10.6439 0.69707E+00 -0.1567 189 PbH4S3,aq 0.27390E-10 -10.5624 0.27390E-10 -10.5624 0.10000E+01 0.0000 193 Zn(HS)2,aq 0.15613E-07 -7.8065 0.15613E-07 -7.8065 0.10000E+01 0.0000 194 Zn(HS)3- 0.17487E-09 -9.7573 0.12073E-09 -9.9182 0.69041E+00 -0.1609 Charge balance for all species = 0.2489E-07 Component Molality Aq.molality ppm log[A(N)/A(H+)**Z] (total) 1 H+ 0.4401264E-06 0.4109743E-01 0.4123131E+02 -0.0000 2 H2O 0.1000000E+01 0.5547001E+02 0.9946665E+06 0.0000 3 Cl- 0.2994794E-01 0.3183153E-01 0.1123281E+04 4.8259 4 SO4-- 0.8500907E-08 -.3256831E-03 -.3114030E+02 4.3510 5 HCO3- 0.1937331E-02 0.4103567E-01 0.2492250E+04 3.6397 6 HS- 0.4419678E-03 0.3265401E-02 0.1074917E+03 2.9952 7 H4SiO4 0.7721419E-02 0.7751401E-02 0.7415680E+03 -2.1123 8 Al+++ 0.4397935E-21 0.2309107E-05 0.6201375E-01 -3.1840 9 Ca++ 0.1139456E-04 0.3690241E-04 0.1472104E+01 7.4674 10 Mg++ 0.6297494E-07 0.1837598E-06 0.4446814E-02 5.2015 11 Fe++ 0.1595024E-09 0.3361148E-08 0.1868380E-03 2.6072 12 K+ 0.3803480E-02 0.3850123E-02 0.1498481E+03 3.9335 13 Na+ 0.2875242E-01 0.3070503E-01 0.7026233E+03 4.8084 14 Mn++ 0.8991182E-10 0.2837617E-08 0.1551688E-03 2.3598 15 Zn++ 0.4393710E-14 0.1585351E-07 0.1031529E-02 -1.9527 16 Cu+ 0.9808003E-12 0.6463061E-07 0.4087551E-02 -5.6588 17 Pb++ 0.4074905E-13 0.1150156E-07 0.2371939E-02 -0.9741 18 Hg++ 0.2984519E-32 0.8108675E-09 0.1618963E-03 -20.1117 19 F- 0.2187854E-03 0.2525623E-03 0.4775889E+01 2.6839 Component Tot moles Aq. moles Solid moles Gas moles 1 H+ 0.1822172E+00 0.3966256E-01 -.2015415E-06 0.1425549E+00 2 H2O 0.5550825E+02 0.5353333E+02 -.7490016E-03 0.1975670E+01 3 Cl- 0.3072017E-01 0.3072017E-01 0.0000000E+00 0.1819265E-08 4 SO4-- -.4257700E-02 -.3143122E-03 0.0000000E+00 -.3943388E-02 5 HCO3- 0.1832100E+00 0.3960295E-01 0.0000000E+00 0.1436070E+00 6 HS- 0.9985820E-02 0.3151393E-02 0.0000000E+00 0.6834427E-02 7 H4SiO4 0.7855346E-02 0.7480769E-02 0.3745764E-03 0.0000000E+00 8 Al+++ 0.2253680E-05 0.2228487E-05 0.2519269E-07 0.0000000E+00 9 Ca++ 0.3561400E-04 0.3561400E-04 0.0000000E+00 0.0000000E+00 10 Mg++ 0.2355503E-06 0.1773440E-06 0.5820628E-07 0.0000000E+00 11 Fe++ 0.8017372E-08 0.3243797E-08 0.4773575E-08 0.0000000E+00 12 K+ 0.3715700E-02 0.3715700E-02 0.0000000E+00 0.0000000E+00 13 Na+ 0.2963300E-01 0.2963300E-01 0.0000000E+00 0.0000000E+00 14 Mn++ 0.2740424E-08 0.2738545E-08 0.1878697E-11 0.0000000E+00 15 Zn++ 0.1530000E-07 0.1530000E-07 0.0000000E+00 0.0000000E+00 16 Cu+ 0.6237410E-07 0.6237410E-07 0.0000000E+00 0.0000000E+00 17 Pb++ 0.1110000E-07 0.1110000E-07 0.0000000E+00 0.0000000E+00 18 Hg++ 0.4000000E-08 0.7825569E-09 0.0000000E+00 0.3217443E-08 19 F- 0.2439100E-03 0.2437444E-03 0.0000000E+00 0.1656252E-06 Chg. balance for solid moles: -.2489E-17 Mass of aqueous solution: 0.969590E+03 g Temperature = 268.00 C Pressure = 56.62 bar Mixer frac. = 0.0000000 Log Log Vol Gas or mineral Moles Moles Grams Grams Wt.% (cm3) H2O,gas 2.110 0.324 38.00 1.580 85.72 1294. CO2,gas 0.1403 -0.853 6.174 0.791 13.93 120.5 CH4,gas 0.3322E-02 -2.479 0.5329E-01 -1.273 0.1202 3.189 H2,gas 0.2481E-02 -2.605 0.5012E-02 -2.300 0.1130E-01 2.012 H2S,gas 0.2891E-02 -2.539 0.9853E-01 -1.006 0.2222 2.142 CO,gas 0.3007E-05 -5.522 0.8422E-04 -4.075 0.1900E-03 0.2389E-02 SO2,gas 0.3192E-12 -12.496 0.2045E-10 -10.689 0.4612E-10 0.2536E-09 HF,gas 0.1656E-06 -6.781 0.3313E-05 -5.480 0.7472E-05 0.1316E-03 HCl,gas 0.1819E-08 -8.740 0.6633E-07 -7.178 0.1496E-06 0.1446E-05 Hg,gas 0.3217E-08 -8.492 0.6454E-06 -6.190 0.1456E-05 0.2557E-05 clinochlore 0.1164E-07 -7.934 0.6471E-05 -5.189 0.2875E-01 0.2461E-05 daphnite 0.9547E-09 -9.020 0.6812E-06 -6.167 0.3026E-02 0.2064E-06 chlorite-Mn 0.3757E-12 -12.425 0.2664E-09 -9.574 0.1183E-05 0.8489E-10 quartz 0.3745E-03 -3.427 0.2250E-01 -1.648 99.97 0.8498E-02 Partial press. Fugacity coef Log fugacity Gas or Mineral Mole fraction or activity Activity coef Log activity H2O,gas 0.9341E+00 0.5288E+02 0.8230 1.639 CO2,gas 0.6210E-01 0.3516E+01 0.9779 0.536 CH4,gas 0.1471E-02 0.8327E-01 1.1710 -1.011 H2,gas 0.1098E-02 0.6218E-01 1.0208 -1.197 H2S,gas 0.1280E-02 0.7246E-01 0.9316 -1.171 CO,gas 0.1331E-05 0.7535E-04 1.0000 -4.123 SO2,gas 0.1413E-12 0.7999E-11 1.0000 -11.097 HF,gas 0.7331E-07 0.4151E-05 1.0000 -5.382 HCl,gas 0.8053E-09 0.4559E-07 1.0000 -7.341 Hg,gas 0.1424E-08 0.8064E-07 1.0000 -7.093 clinochlore 0.9242E+00 0.9242E+00 1.0000 -0.034 daphnite 0.7579E-01 0.7579E-01 1.0000 -1.120 chlorite-Mn 0.2983E-04 0.2983E-04 1.0000 -4.525 quartz 0.1000E+01 0.1000E+01 1.0000 0.000 Current weight percent of gas: 4.372469 % Solid products produced: Mass = 0.022509 g Volume = 0.008501 cm3 WARNING: mineral volume may be in error because some mineral densities were not supplied in SOLTHERM. See mineral list in file Skip_Species.txt. NON-Ideal mixing with H2O, CO2, CH4 Gases ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ The following gases and minerals are presently in matrix or were just added Gas or Mineral Log K Log Q Log(Q/K) Log(Q/K)/S Affinity Log Fugacity 1 H2O,gas 0.11 0.11 -0.00 -0.000 0.18631E-08 2 CO2,gas -8.16 -8.16 0.00 0.000 -0.70818E-09 3 CH4,gas 5.05 5.05 0.00 0.000 -0.17705E-08 4 H2,gas 5.87 5.87 0.00 0.000 -0.17155E-09 5 H2S,gas -7.10 -7.10 -0.00 -0.000 0.54983E-09 6 CO,gas -0.59 -0.59 -0.00 -0.000 0.49485E-11 7 SO2,gas -5.92 -5.92 0.00 0.000 0.00000E+00 8 HF,gas -3.20 -3.20 -0.00 -0.000 0.21993E-11 9 HCl,gas 0.90 0.90 0.00 0.000 0.00000E+00 10 Hg,gas -8.35 -8.35 0.00 0.000 0.00000E+00 43 clinochlore 13.47 13.47 0.00 0.000 -0.87973E-11 44 daphnite 5.93 5.93 0.00 0.000 -0.30790E-10 45 chlorite-Mn 21.72 21.72 -0.00 -0.000 0.26392E-10 146 quartz -2.11 -2.11 0.00 0.000 0.00000E+00 The following gases and minerals are presently EXCLUDED from matrix (Gases and minerals with log(Q/K) less than -5 are not listed below) Gas or Mineral Log K Log Q Log(Q/K) Log(Q/K)/S Affinity Log Fugacity 11 acmite 4.66 1.73 -2.93 -0.304 0.72465E+04 15 albite-high -3.65 -4.71 -1.06 -0.082 0.26357E+04 16 albite -4.12 -4.71 -0.60 -0.046 0.14746E+04 20 analcite -1.26 -2.60 -1.34 -0.149 0.33298E+04 21 andalusite -5.82 -8.48 -2.66 -0.266 0.65888E+04 22 andradite 21.90 18.36 -3.54 -0.184 0.87688E+04 23 grossular 12.15 9.70 -2.45 -0.123 0.60721E+04 25 ankerite -6.60 -8.69 -2.09 -0.348 0.51676E+04 26 annite 6.30 2.23 -4.07 -0.226 0.10073E+05 27 phlogopite 11.46 10.02 -1.45 -0.080 0.35835E+04 29 anorthite -1.57 -3.13 -1.55 -0.119 0.38462E+04 32 aragonite -1.44 -1.91 -0.47 -0.156 0.11611E+04 33 brucite 7.89 5.20 -2.69 -0.539 0.66700E+04 34 calcite -1.60 -1.91 -0.32 -0.106 0.78802E+03 35 carnegieite-low 2.55 -0.49 -3.04 -0.435 0.75332E+04 36 carnegieite-high 3.04 -0.49 -3.53 -0.504 0.87439E+04 37 carpholite-Mg -3.16 -5.39 -2.23 -0.149 0.55311E+04 38 carpholite-Fe -4.57 -7.99 -3.42 -0.228 0.84699E+04 39 celadonite -0.18 -2.50 -2.32 -0.136 0.57367E+04 40 celadonite-Fe -1.45 -5.09 -3.64 -0.214 0.90080E+04 41 chrysotile 13.59 11.38 -2.21 -0.184 0.54731E+04 46 chlorite-Al-free 26.93 22.76 -4.17 -0.174 0.10326E+05 47 chloritoid-Mg -0.68 -3.28 -2.60 -0.173 0.64325E+04 48 chloritoid-Fe -3.40 -5.87 -2.48 -0.165 0.61358E+04 49 chloritoid-Mn -1.19 -6.12 -4.93 -0.329 0.12218E+05 51 coesite -1.67 -2.11 -0.45 -0.149 0.11049E+04 56 corundum -3.43 -6.37 -2.94 -0.267 0.72738E+04 58 cristobalite -1.92 -2.11 -0.20 -0.065 0.48568E+03 61 cymrite-K -2.09 -5.59 -3.50 -0.291 0.86614E+04 63 diaspore -2.05 -3.18 -1.13 -0.189 0.28045E+04 64 diamond -1.80 -3.55 -1.75 -0.501 0.43380E+04 65 diopside 9.05 8.44 -0.61 -0.061 0.15092E+04 66 hedenbergite 7.55 5.85 -1.70 -0.170 0.42053E+04 67 dolomite,ordered -4.61 -6.09 -1.48 -0.246 0.36611E+04 68 eastonite 4.68 0.56 -4.12 -0.158 0.10199E+05 69 enstatite 8.82 6.18 -2.64 -0.264 0.65284E+04 70 clinoenstatite-HiP 9.58 6.18 -3.40 -0.340 0.84207E+04 71 clinoenstatite 8.75 6.18 -2.57 -0.257 0.63732E+04 72 protoenstatite 9.13 6.18 -2.95 -0.295 0.73027E+04 73 epidote 5.21 3.38 -1.83 -0.089 0.45314E+04 74 clinozoisite 1.01 -0.95 -1.97 -0.089 0.48685E+04 75 epidote-Fe 11.76 7.71 -4.05 -0.210 0.10027E+05 76 fayalite 6.43 3.10 -3.33 -0.476 0.82491E+04 77 ferrosilite 4.43 0.99 -3.44 -0.344 0.85285E+04 78 forsterite 11.41 8.29 -3.12 -0.445 0.77176E+04 81 gibbsite -0.66 -3.18 -2.52 -0.360 0.62410E+04 82 glaucophane 5.68 1.96 -3.72 -0.100 0.92077E+04 84 goethite 3.11 1.15 -1.97 -0.425 0.48665E+04 85 graphite -2.17 -3.55 -1.38 -0.394 0.34120E+04 86 greenalite 7.92 3.60 -4.32 -0.360 0.10694E+05 88 halite 0.78 -3.39 -4.17 -2.086 0.10329E+05 89 hematite 5.28 2.30 -2.98 -0.361 0.73818E+04 90 heulandite -12.73 -13.69 -0.96 -0.044 0.23701E+04 91 hercynite 0.98 -3.76 -4.74 -0.316 0.11734E+05 94 jadeite -0.38 -2.60 -2.22 -0.222 0.54966E+04 96 kalsilite 1.75 -1.36 -3.12 -0.445 0.77183E+04 97 kaolinite -8.46 -10.59 -2.13 -0.193 0.52697E+04 98 kyanite -5.75 -8.48 -2.73 -0.273 0.67504E+04 100 laumontite -6.07 -7.35 -1.28 -0.085 0.31601E+04 101 lawsonite -1.39 -3.13 -1.73 -0.116 0.42957E+04 102 leucite -0.99 -3.47 -2.49 -0.249 0.61584E+04 104 lizardite 13.36 11.38 -1.98 -0.165 0.49085E+04 105 magnesite -2.39 -4.18 -1.78 -0.595 0.44197E+04 106 magnetite 8.80 4.90 -3.89 -0.318 0.96414E+04 107 minnesotaite 3.13 -0.63 -3.76 -0.221 0.93035E+04 108 minnesotaite-Mg 10.50 7.16 -3.34 -0.197 0.82796E+04 112 margarite -6.42 -9.49 -3.07 -0.123 0.76030E+04 115 microcline -5.20 -5.59 -0.39 -0.030 0.95447E+03 116 monticellite 14.61 10.56 -4.06 -0.579 0.10044E+05 118 mullite-Si -4.40 -8.48 -4.08 -0.408 0.10100E+05 119 muscovite -10.01 -11.96 -1.94 -0.114 0.48085E+04 120 paragonite -9.09 -11.08 -1.99 -0.117 0.49241E+04 121 nepheline 2.05 -0.49 -2.54 -0.363 0.62890E+04 126 periclase 9.62 5.20 -4.41 -1.104 0.10931E+05 127 periclase-Fe 6.35 2.61 -3.75 -0.937 0.92801E+04 133 phlogopite-Na 12.90 10.89 -2.01 -0.111 0.49679E+04 135 prehnite 3.60 2.23 -1.37 -0.080 0.33825E+04 136 prehnite-Fe 8.52 6.56 -1.96 -0.118 0.48442E+04 137 pumpellyite-Fe 8.35 3.88 -4.47 -0.099 0.11063E+05 138 pumpellyite-Mg 10.30 6.48 -3.82 -0.085 0.94668E+04 140 px-Ca-tschermaks 2.95 -1.01 -3.96 -0.283 0.98037E+04 141 pyrite -19.72 -20.36 -0.64 -0.152 0.15944E+04 142 pyrrhotite -6.17 -7.42 -1.24 -0.415 0.30825E+04 143 pyrrhotiteFe0.875 -7.27 -8.11 -0.83 -0.306 0.20626E+04 144 pyroxmangite 4.11 0.25 -3.86 -0.772 0.95582E+04 145 pyrophyllite -12.67 -14.82 -2.14 -0.134 0.53035E+04 149 ringwoodite-Fe 7.61 3.10 -4.51 -0.644 0.11170E+05 151 rhodochrosite -2.97 -7.02 -4.05 -1.350 0.10030E+05 152 rhodonite 4.12 0.25 -3.87 -0.775 0.95898E+04 153 sanidine -4.37 -5.59 -1.22 -0.094 0.30207E+04 155 siderite -4.73 -6.77 -2.04 -0.681 0.50555E+04 156 sillimanite -5.68 -8.48 -2.80 -0.280 0.69269E+04 158 spinel 3.60 -1.17 -4.77 -0.318 0.11816E+05 163 stilbite -11.39 -13.69 -2.30 -0.109 0.56919E+04 164 stilpnomelane-Fe -3.54 -8.26 -4.72 -0.141 0.11686E+05 165 stilpnomelane-Mg 5.83 4.71 -1.12 -0.033 0.27729E+04 166 stishovite 2.10 -2.11 -4.21 -1.404 0.10428E+05 168 sudoite -4.13 -8.67 -4.55 -0.147 0.11255E+05 169 sulfur -8.89 -12.94 -4.05 -1.246 0.10027E+05 171 talc 7.74 7.16 -0.59 -0.035 0.14550E+04 173 talc-tschermaks 1.64 -2.30 -3.94 -0.232 0.97644E+04 178 topaz-H -4.84 -8.48 -3.64 -0.331 0.90234E+04 179 tridymite -1.94 -2.11 -0.17 -0.058 0.43031E+03 180 tremolite 25.05 24.05 -1.00 -0.027 0.24826E+04 182 troilite-low -6.19 -7.42 -1.23 -0.410 0.30460E+04 183 tschermakite 9.81 5.13 -4.68 -0.127 0.11591E+05 186 wadsleyite-Fe 7.64 3.10 -4.54 -0.648 0.11239E+05 188 wairakite -6.61 -7.35 -0.74 -0.043 0.18284E+04 189 walstromite 7.27 5.36 -1.91 -0.383 0.47376E+04 190 wollastonite 6.56 5.36 -1.21 -0.241 0.29874E+04 191 pseudo-wollastonite 6.86 5.36 -1.50 -0.300 0.37187E+04 192 zoisite 1.04 -0.95 -2.00 -0.091 0.49415E+04 193 beidellite-Ca -11.23 -13.94 -2.71 -0.168 0.67057E+04 194 beidellite-H -11.51 -15.17 -3.66 -0.233 0.90579E+04 195 beidellite-K -10.56 -13.87 -3.31 -0.203 0.81981E+04 196 beidellite-Mg -11.48 -14.31 -2.83 -0.175 0.70179E+04 197 beidellite-Na -10.52 -13.58 -3.07 -0.188 0.75902E+04 198 bornite -66.91 -67.25 -0.33 -0.025 0.82641E+03 200 chalcedony -1.98 -2.11 -0.13 -0.043 0.31933E+03 201 chalcocite -19.72 -21.34 -1.62 -0.406 0.40177E+04 202 covellite -15.03 -17.14 -2.11 -0.804 0.52281E+04 204 montmorillonite-Ca -9.17 -10.82 -1.65 -0.102 0.40824E+04 205 montmorillonite-K -8.63 -10.75 -2.12 -0.130 0.52393E+04 206 montmorillonite-Mg -9.43 -11.19 -1.76 -0.109 0.43469E+04 207 montmorillonite-Na -8.49 -10.46 -1.97 -0.121 0.48801E+04 209 nontronite-Ca -2.03 -5.27 -3.24 -0.210 0.80321E+04 210 nontronite-H -2.31 -6.50 -4.19 -0.281 0.10372E+05 211 nontronite-K -1.36 -5.21 -3.85 -0.247 0.95221E+04 212 nontronite-Mg -2.27 -5.65 -3.37 -0.219 0.83518E+04 213 nontronite-Na -1.32 -4.92 -3.60 -0.231 0.89176E+04 215 topaz -24.88 -29.15 -4.28 -0.475 0.10589E+05 229 tobermorite 7.97 4.11 -3.86 -1.054 0.95690E+04 235 alabandite -3.47 -7.67 -4.20 -1.399 0.10389E+05 240 boehmite -1.25 -3.18 -1.93 -0.322 0.47819E+04 242 chalcopyrite -24.26 -24.56 -0.30 -0.055 0.73412E+03 245 copper,native -0.77 -4.20 -3.43 -1.194 0.85002E+04 246 dolomite,disordered -4.33 -6.09 -1.77 -0.295 0.43788E+04 247 ferrous-oxide 5.04 2.61 -2.44 -0.609 0.60339E+04 248 fluorite -11.92 -13.21 -1.29 -0.430 0.31910E+04 249 galena -10.07 -11.00 -0.93 -0.310 0.23012E+04 257 silica-amorphous -1.64 -2.11 -0.47 -0.156 0.11609E+04 260 sphalerite -10.24 -11.98 -1.74 -0.580 0.43093E+04 261 wurtzite -8.98 -11.98 -3.00 -1.000 0.74256E+04 263 an20ab80 -3.82 -4.39 -0.57 -0.044 0.14117E+04 264 an25ab75 -3.72 -4.31 -0.59 -0.045 0.14628E+04 265 an30ab70 -3.62 -4.24 -0.62 -0.048 0.15300E+04 266 tr.625ac.25prg.125 20.72 20.09 -0.64 -0.017 0.15742E+04 271 FeS-amorphous -4.29 -7.42 -3.13 -1.042 0.77434E+04 Calculations done for 268.0000 Deg. C; 56.6183 bar Enthalpies: Pure water 5.0559 kcal/mole H2O,gas 11.9089 kcal/mole CO2,gas 3.8611 kcal/mole CH4,gas 3.8446 kcal/mole Current solution 270.8466 Gas 25.6840 kcal Total current enthalpy 296.5306 kcal Starting enthalpy 296.5306 kcal Temperature changed by -2.000 degrees to 266.000 degrees C. Solids and gases carried ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ Test file for CHIM-XPT. Boil Broadlands Water Water similar to Broadlands Well No. 2 CHIMRUN demo-2a ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ Number of loops used = 16 Loop limit = 200 Temperature = 266.00 C Pressure = 54.40 bar Mixer fraction = 0.0000000 Total current enthalpy = 296.5306 KCAL Water: Moles liquid = 0.5324E+02 kg liquid = 0.9591E+00 Moles total = 0.5551E+02 kg total = 0.1000E+01 Activity = 0.9994 Stoichiometric ionic strength = .5234391E-01 Osmotic coef. = 0.8829 True ionic strength = .3288114E-01 Chg. balance for total moles = 0.2402E-07 Max. difference allowed = 0.3072E-05 Log Log Log Species(n) Molality Molality Activity Activity Gamma Gamma 1 H+ 0.40355E-06 -6.3941 0.28366E-06 -6.5472 0.70292E+00 -0.1531 2 H2O 0.99935E+00 -0.0003 0.99935E+00 -0.0003 3 Cl- 0.30192E-01 -1.5201 0.20891E-01 -1.6800 0.69195E+00 -0.1599 4 SO4-- 0.10688E-07 -7.9711 0.27105E-08 -8.5670 0.25360E+00 -0.5958 5 HCO3- 0.19344E-02 -2.7135 0.13476E-02 -2.8704 0.69665E+00 -0.1570 6 HS- 0.45562E-03 -3.3414 0.31549E-03 -3.5010 0.69245E+00 -0.1596 7 H4SiO4 0.75960E-02 -2.1194 0.75960E-02 -2.1194 0.10000E+01 0.0000 8 Al+++ 0.35531E-21 -21.4494 0.15847E-22 -22.8001 0.44599E-01 -1.3507 9 Ca++ 0.11872E-04 -4.9255 0.29370E-05 -5.5321 0.24740E+00 -0.6066 10 Mg++ 0.58642E-07 -7.2318 0.14233E-07 -7.8467 0.24272E+00 -0.6149 11 Fe++ 0.12645E-09 -9.8981 0.30836E-10 -10.5109 0.24387E+00 -0.6128 12 K+ 0.38290E-02 -2.4169 0.26725E-02 -2.5731 0.69797E+00 -0.1562 13 Na+ 0.28991E-01 -1.5377 0.20070E-01 -1.6975 0.69228E+00 -0.1597 14 Mn++ 0.97599E-10 -10.0106 0.23885E-10 -10.6219 0.24472E+00 -0.6113 15 Zn++ 0.45637E-14 -14.3407 0.11129E-14 -14.9535 0.24387E+00 -0.6128 16 Cu+ 0.85385E-12 -12.0686 0.59097E-12 -12.2284 0.69212E+00 -0.1598 17 Pb++ 0.40806E-13 -13.3893 0.10213E-13 -13.9908 0.25029E+00 -0.6016 18 Hg++ 0.21041E-32 -32.6769 0.52375E-33 -33.2809 0.24892E+00 -0.6039 19 F- 0.22314E-03 -3.6514 0.15243E-03 -3.8169 0.68312E+00 -0.1655 21 HSiO3- 0.26847E-04 -4.5711 0.18577E-04 -4.7310 0.69195E+00 -0.1599 22 Ca(HSiO3)+ 0.88986E-07 -7.0507 0.62164E-07 -7.2065 0.69858E+00 -0.1558 23 Mg(HSiO3)+ 0.28291E-09 -9.5483 0.19764E-09 -9.7041 0.69858E+00 -0.1558 24 NaHSiO3,aq 0.60254E-05 -5.2200 0.60254E-05 -5.2200 0.10000E+01 0.0000 27 HAlO2,aq 0.96439E-08 -8.0157 0.96439E-08 -8.0157 0.10000E+01 0.0000 28 AlO2- 0.22791E-05 -5.6422 0.15601E-05 -5.8069 0.68452E+00 -0.1646 29 CH4,aq 0.22489E-03 -3.6480 0.22153E-03 -3.6546 0.98509E+00 -0.0065 30 C2H6,aq 0.61001E-10 -10.2147 0.60092E-10 -10.2212 0.98509E+00 -0.0065 34 CO,aq 0.24004E-06 -6.6197 0.24004E-06 -6.6197 0.10000E+01 0.0000 35 CO2,aq 0.33247E-01 -1.4783 0.32751E-01 -1.4848 0.98509E+00 -0.0065 36 CO3-2 0.17308E-06 -6.7617 0.43541E-07 -7.3611 0.25156E+00 -0.5994 37 CaCO3,aq 0.53792E-06 -6.2693 0.53792E-06 -6.2693 0.10000E+01 0.0000 38 Ca(HCO3)+ 0.10438E-04 -4.9814 0.72916E-05 -5.1372 0.69858E+00 -0.1558 39 CaCl+ 0.11239E-04 -4.9493 0.78514E-05 -5.1051 0.69858E+00 -0.1558 40 CaCl2,aq 0.19251E-06 -6.7155 0.19251E-06 -6.7155 0.10000E+01 0.0000 41 CaF+ 0.87490E-06 -6.0580 0.61119E-06 -6.2138 0.69858E+00 -0.1558 42 CaOH+ 0.18888E-05 -5.7238 0.13195E-05 -5.8796 0.69858E+00 -0.1558 43 CaSO4,aq 0.21628E-09 -9.6650 0.21628E-09 -9.6650 0.10000E+01 0.0000 44 HCl,aq 0.23916E-07 -7.6213 0.23916E-07 -7.6213 0.10000E+01 0.0000 53 CuCl,aq 0.14523E-09 -9.8379 0.14523E-09 -9.8379 0.10000E+01 0.0000 54 CuCl2- 0.98933E-10 -10.0047 0.68456E-10 -10.1646 0.69195E+00 -0.1599 61 HF,aq 0.19030E-04 -4.7206 0.19030E-04 -4.7206 0.10000E+01 0.0000 62 HF2- 0.12287E-08 -8.9105 0.85021E-09 -9.0705 0.69195E+00 -0.1599 64 FeCl+ 0.73942E-10 -10.1311 0.51655E-10 -10.2869 0.69858E+00 -0.1558 67 FeF+ 0.11926E-10 -10.9235 0.83311E-11 -11.0793 0.69858E+00 -0.1558 69 FeO,aq 0.11364E-08 -8.9445 0.11364E-08 -8.9445 0.10000E+01 0.0000 70 FeOH+ 0.10135E-08 -8.9942 0.70804E-09 -9.1499 0.69858E+00 -0.1558 71 HFeO2- 0.20532E-09 -9.6876 0.14207E-09 -9.8475 0.69195E+00 -0.1599 74 FeO2- 0.19690E-09 -9.7058 0.13624E-09 -9.8657 0.69195E+00 -0.1599 75 HFeO2,aq 0.85735E-10 -10.0668 0.85735E-10 -10.0668 0.10000E+01 0.0000 76 H2,aq 0.17210E-03 -3.7642 0.16954E-03 -3.7707 0.98509E+00 -0.0065 77 Hg,aq 0.67892E-09 -9.1682 0.66879E-09 -9.1747 0.98509E+00 -0.0065 90 KCl,aq 0.44745E-04 -4.3493 0.44745E-04 -4.3493 0.10000E+01 0.0000 92 KOH,aq 0.32389E-06 -6.4896 0.32389E-06 -6.4896 0.10000E+01 0.0000 93 KSO4- 0.42711E-08 -8.3695 0.29554E-08 -8.5294 0.69195E+00 -0.1599 94 MgCO3,aq 0.27133E-09 -9.5665 0.27133E-09 -9.5665 0.10000E+01 0.0000 95 Mg(HCO3)+ 0.44706E-07 -7.3496 0.31231E-07 -7.5054 0.69858E+00 -0.1558 96 MgCl+ 0.24541E-07 -7.6101 0.17144E-07 -7.7659 0.69858E+00 -0.1558 97 MgF+ 0.11174E-07 -7.9518 0.78059E-08 -8.1076 0.69858E+00 -0.1558 98 MgOH+ 0.27801E-07 -7.5559 0.19421E-07 -7.7117 0.69858E+00 -0.1558 101 MnO,aq 0.25357E-10 -10.5959 0.25357E-10 -10.5959 0.10000E+01 0.0000 102 MnOH+ 0.11899E-09 -9.9245 0.83121E-10 -10.0803 0.69858E+00 -0.1558 107 MnCl+ 0.12787E-08 -8.8932 0.89328E-09 -9.0490 0.69858E+00 -0.1558 109 NaCl,aq 0.17808E-02 -2.7494 0.17808E-02 -2.7494 0.10000E+01 0.0000 110 NaF,aq 0.10973E-04 -4.9597 0.10973E-04 -4.9597 0.10000E+01 0.0000 111 NaOH,aq 0.15320E-05 -5.8148 0.15320E-05 -5.8148 0.10000E+01 0.0000 113 OH- 0.33978E-04 -4.4688 0.23258E-04 -4.6334 0.68452E+00 -0.1646 124 Pb(HS)2,aq 0.11226E-07 -7.9498 0.11226E-07 -7.9498 0.10000E+01 0.0000 125 Pb(HS)3- 0.24350E-09 -9.6135 0.16849E-09 -9.7734 0.69195E+00 -0.1599 126 H2S,aq 0.22274E-02 -2.6522 0.21942E-02 -2.6587 0.98509E+00 -0.0065 127 S2-2 0.11807E-09 -9.9278 0.29703E-10 -10.5272 0.25156E+00 -0.5994 134 HSO3- 0.23240E-10 -10.6338 0.16081E-10 -10.7937 0.69195E+00 -0.1599 135 HSO4- 0.37976E-09 -9.4205 0.26612E-09 -9.5749 0.70076E+00 -0.1544 154 ZnOH+ 0.56712E-10 -10.2463 0.39618E-10 -10.4021 0.69858E+00 -0.1558 158 AlF2+ 0.89907E-10 -10.0462 0.62807E-10 -10.2020 0.69858E+00 -0.1558 159 AlF3,aq 0.96915E-08 -8.0136 0.96915E-08 -8.0136 0.10000E+01 0.0000 160 AlF4- 0.17426E-07 -7.7588 0.12058E-07 -7.9187 0.69195E+00 -0.1599 161 AlF5-- 0.32026E-09 -9.4945 0.80565E-10 -10.0939 0.25156E+00 -0.5994 164 Cu(HS)2- 0.64723E-07 -7.1889 0.44785E-07 -7.3489 0.69195E+00 -0.1599 165 CuH4S3-a 0.18194E-10 -10.7401 0.12589E-10 -10.9000 0.69195E+00 -0.1599 166 CuH4S3-b 0.45995E-10 -10.3373 0.31826E-10 -10.4972 0.69195E+00 -0.1599 180 MnCl2,aq 0.11495E-08 -8.9395 0.11495E-08 -8.9395 0.10000E+01 0.0000 181 MnCl3- 0.16597E-09 -9.7800 0.11484E-09 -9.9399 0.69195E+00 -0.1599 182 MnCO3,aq 0.13703E-10 -10.8632 0.13703E-10 -10.8632 0.10000E+01 0.0000 183 NaCO3- 0.67007E-07 -7.1739 0.46365E-07 -7.3338 0.69195E+00 -0.1599 184 NaHCO3,aq 0.85390E-04 -4.0686 0.85390E-04 -4.0686 0.10000E+01 0.0000 185 NaHS,aq 0.19991E-04 -4.6992 0.19991E-04 -4.6992 0.10000E+01 0.0000 186 NaSO4- 0.58642E-08 -8.2318 0.40577E-08 -8.3917 0.69195E+00 -0.1599 187 PbCO3,aq 0.36266E-10 -10.4405 0.36266E-10 -10.4405 0.10000E+01 0.0000 188 PbOH+ 0.34515E-10 -10.4620 0.24112E-10 -10.6178 0.69858E+00 -0.1558 189 PbH4S3,aq 0.24360E-10 -10.6133 0.24360E-10 -10.6133 0.10000E+01 0.0000 193 Zn(HS)2,aq 0.15697E-07 -7.8042 0.15697E-07 -7.8042 0.10000E+01 0.0000 194 Zn(HS)3- 0.18605E-09 -9.7304 0.12873E-09 -9.8903 0.69195E+00 -0.1599 Charge balance for all species = 0.2504E-07 Component Molality Aq.molality ppm log[A(N)/A(H+)**Z] (total) 1 H+ 0.4035461E-06 0.3536996E-01 0.3549400E+02 0.0000 2 H2O 0.1000000E+01 0.5547541E+02 0.9950106E+06 0.0000 3 Cl- 0.3019221E-01 0.3202941E-01 0.1130544E+04 4.8672 4 SO4-- 0.1068797E-07 -.2679518E-03 -.2562667E+02 4.5274 5 HCO3- 0.1934412E-02 0.3550273E-01 0.2156750E+04 3.6768 6 HS- 0.4556206E-03 0.2971216E-02 0.9783188E+02 3.0462 7 H4SiO4 0.7596020E-02 0.7628981E-02 0.7300376E+03 -2.1194 8 Al+++ 0.3553141E-21 0.2316259E-05 0.6222128E-01 -3.1585 9 Ca++ 0.1187154E-04 0.3713181E-04 0.1481623E+01 7.5623 10 Mg++ 0.5864171E-07 0.1674211E-06 0.4052440E-02 5.2477 11 Fe++ 0.1264453E-09 0.2857094E-08 0.1588583E-03 2.5835 12 K+ 0.3828984E-02 0.3874057E-02 0.1508171E+03 3.9741 13 Na+ 0.2899115E-01 0.3089591E-01 0.7071668E+03 4.8497 14 Mn++ 0.9759924E-10 0.2854271E-08 0.1561183E-03 2.4725 15 Zn++ 0.4563724E-14 0.1595206E-07 0.1038200E-02 -1.8591 16 Cu+ 0.8538546E-12 0.6503238E-07 0.4113983E-02 -5.6812 17 Pb++ 0.4080635E-13 0.1157306E-07 0.2387277E-02 -0.8964 18 Hg++ 0.2104111E-32 0.6845292E-09 0.1367058E-03 -20.1865 19 F- 0.2231362E-03 0.2541287E-03 0.4806704E+01 2.7303 Component Tot moles Aq. moles Solid moles Gas moles 1 H+ 0.1822172E+00 0.3392417E-01 -.2568084E-06 0.1482933E+00 2 H2O 0.5550825E+02 0.5320778E+02 -.1076225E-02 0.2301545E+01 3 Cl- 0.3072017E-01 0.3072017E-01 0.0000000E+00 0.1814649E-08 4 SO4-- -.4257700E-02 -.2569990E-03 0.0000000E+00 -.4000701E-02 5 HCO3- 0.1832100E+00 0.3405151E-01 0.0000000E+00 0.1491585E+00 6 HS- 0.9985820E-02 0.2849764E-02 0.0000000E+00 0.7136056E-02 7 H4SiO4 0.7855346E-02 0.7317137E-02 0.5382087E-03 0.0000000E+00 8 Al+++ 0.2253680E-05 0.2221579E-05 0.3210105E-07 0.0000000E+00 9 Ca++ 0.3561400E-04 0.3561400E-04 0.0000000E+00 0.0000000E+00 10 Mg++ 0.2355503E-06 0.1605776E-06 0.7497273E-07 0.0000000E+00 11 Fe++ 0.8017372E-08 0.2740306E-08 0.5277066E-08 0.0000000E+00 12 K+ 0.3715700E-02 0.3715700E-02 0.0000000E+00 0.0000000E+00 13 Na+ 0.2963300E-01 0.2963300E-01 0.0000000E+00 0.0000000E+00 14 Mn++ 0.2740424E-08 0.2737599E-08 0.2824244E-11 0.0000000E+00 15 Zn++ 0.1530000E-07 0.1530000E-07 0.0000000E+00 0.0000000E+00 16 Cu+ 0.6237410E-07 0.6237410E-07 0.0000000E+00 0.0000000E+00 17 Pb++ 0.1110000E-07 0.1110000E-07 0.0000000E+00 0.0000000E+00 18 Hg++ 0.4000000E-08 0.6565483E-09 0.0000000E+00 0.3343452E-08 19 F- 0.2439100E-03 0.2437409E-03 0.0000000E+00 0.1690994E-06 Chg. balance for solid moles: -.3518E-16 Mass of aqueous solution: 0.963361E+03 g Temperature = 266.00 C Pressure = 54.40 bar Mixer frac. = 0.0000000 Log Log Vol Gas or mineral Moles Moles Grams Grams Wt.% (cm3) H2O,gas 2.441 0.388 43.97 1.643 86.97 1566. CO2,gas 0.1459 -0.836 6.419 0.807 12.70 129.6 CH4,gas 0.3303E-02 -2.481 0.5298E-01 -1.276 0.1048 3.277 H2,gas 0.2789E-02 -2.555 0.5634E-02 -2.249 0.1114E-01 2.344 H2S,gas 0.3135E-02 -2.504 0.1069 -0.971 0.2114 2.413 CO,gas 0.2929E-05 -5.533 0.8204E-04 -4.086 0.1623E-03 0.2414E-02 SO2,gas 0.3319E-12 -12.479 0.2126E-10 -10.672 0.4205E-10 0.2735E-09 HF,gas 0.1691E-06 -6.772 0.3382E-05 -5.471 0.6690E-05 0.1393E-03 HCl,gas 0.1815E-08 -8.741 0.6616E-07 -7.179 0.1309E-06 0.1495E-05 Hg,gas 0.3343E-08 -8.476 0.6707E-06 -6.173 0.1327E-05 0.2755E-05 clinochlore 0.1499E-07 -7.824 0.8334E-05 -5.079 0.2577E-01 0.3170E-05 daphnite 0.1055E-08 -8.977 0.7530E-06 -6.123 0.2328E-02 0.2282E-06 chlorite-Mn 0.5648E-12 -12.248 0.4005E-09 -9.397 0.1238E-05 0.1276E-09 quartz 0.5382E-03 -3.269 0.3233E-01 -1.490 99.97 0.1221E-01 Partial press. Fugacity coef Log fugacity Gas or Mineral Mole fraction or activity Activity coef Log activity H2O,gas 0.9403E+00 0.5115E+02 0.8273 1.627 CO2,gas 0.5618E-01 0.3056E+01 0.9798 0.476 CH4,gas 0.1272E-02 0.6920E-01 1.1680 -1.092 H2,gas 0.1074E-02 0.5843E-01 1.0201 -1.225 H2S,gas 0.1208E-02 0.6569E-01 0.9333 -1.212 CO,gas 0.1128E-05 0.6137E-04 1.0000 -4.212 SO2,gas 0.1278E-12 0.6953E-11 1.0000 -11.158 HF,gas 0.6513E-07 0.3543E-05 1.0000 -5.451 HCl,gas 0.6989E-09 0.3802E-07 1.0000 -7.420 Hg,gas 0.1288E-08 0.7005E-07 1.0000 -7.155 clinochlore 0.9342E+00 0.9342E+00 1.0000 -0.030 daphnite 0.6576E-01 0.6576E-01 1.0000 -1.182 chlorite-Mn 0.3519E-04 0.3519E-04 1.0000 -4.454 quartz 0.1000E+01 0.1000E+01 1.0000 0.000 Current weight percent of gas: 4.985722 % Solid products produced: Mass = 0.032342 g Volume = 0.012214 cm3 WARNING: mineral volume may be in error because some mineral densities were not supplied in SOLTHERM. See mineral list in file Skip_Species.txt. NON-Ideal mixing with H2O, CO2, CH4 Gases ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ The following gases and minerals are presently in matrix or were just added Gas or Mineral Log K Log Q Log(Q/K) Log(Q/K)/S Affinity Log Fugacity 1 H2O,gas 0.11 0.11 -0.00 -0.000 0.13159E-08 2 CO2,gas -8.16 -8.16 0.00 0.000 -0.49083E-09 3 CH4,gas 5.02 5.02 0.00 0.000 -0.12534E-08 4 H2,gas 5.86 5.86 0.00 0.000 -0.12052E-09 5 H2S,gas -7.10 -7.10 -0.00 -0.000 0.39661E-09 6 CO,gas -0.57 -0.57 -0.00 -0.000 0.21912E-11 7 SO2,gas -5.86 -5.86 0.00 0.000 -0.43824E-11 8 HF,gas -3.18 -3.18 -0.00 -0.000 0.43824E-11 9 HCl,gas 0.93 0.93 -0.00 -0.000 0.24651E-11 10 Hg,gas -8.39 -8.39 0.00 0.000 -0.43824E-11 43 clinochlore 13.71 13.71 0.00 0.000 -0.61353E-10 44 daphnite 6.15 6.15 0.00 0.000 -0.50397E-10 45 chlorite-Mn 21.95 21.95 0.00 0.000 -0.87648E-10 146 quartz -2.12 -2.12 0.00 0.000 0.00000E+00 The following gases and minerals are presently EXCLUDED from matrix (Gases and minerals with log(Q/K) less than -5 are not listed below) Gas or Mineral Log K Log Q Log(Q/K) Log(Q/K)/S Affinity Log Fugacity 11 acmite 4.69 1.74 -2.95 -0.306 0.72684E+04 15 albite-high -3.60 -4.67 -1.06 -0.082 0.26202E+04 16 albite -4.08 -4.67 -0.59 -0.045 0.14511E+04 20 analcite -1.21 -2.55 -1.34 -0.148 0.32965E+04 21 andalusite -5.71 -8.44 -2.72 -0.272 0.67155E+04 22 andradite 22.07 18.59 -3.47 -0.180 0.85706E+04 23 grossular 12.35 10.01 -2.33 -0.117 0.57589E+04 25 ankerite -6.54 -8.69 -2.15 -0.359 0.53132E+04 26 annite 6.43 2.21 -4.23 -0.235 0.10426E+05 27 phlogopite 11.61 10.20 -1.41 -0.078 0.34746E+04 29 anorthite -1.43 -2.99 -1.56 -0.120 0.38453E+04 32 aragonite -1.41 -1.86 -0.44 -0.148 0.10967E+04 33 brucite 7.94 5.25 -2.69 -0.538 0.66314E+04 34 calcite -1.56 -1.86 -0.29 -0.098 0.72462E+03 35 carnegieite-low 2.61 -0.43 -3.04 -0.435 0.75073E+04 36 carnegieite-high 3.11 -0.43 -3.54 -0.505 0.87249E+04 37 carpholite-Mg -3.04 -5.31 -2.26 -0.151 0.55867E+04 38 carpholite-Fe -4.45 -7.97 -3.52 -0.235 0.86795E+04 39 celadonite -0.12 -2.41 -2.29 -0.135 0.56477E+04 40 celadonite-Fe -1.40 -5.08 -3.68 -0.216 0.90770E+04 41 chrysotile 13.68 11.50 -2.18 -0.181 0.53730E+04 46 chlorite-Al-free 27.11 23.01 -4.10 -0.171 0.10119E+05 47 chloritoid-Mg -0.55 -3.19 -2.64 -0.176 0.65124E+04 48 chloritoid-Fe -3.27 -5.85 -2.58 -0.172 0.63639E+04 49 chloritoid-Mn -1.07 -5.96 -4.90 -0.327 0.12087E+05 51 coesite -1.67 -2.12 -0.45 -0.149 0.11046E+04 56 corundum -3.32 -6.32 -3.00 -0.273 0.74006E+04 58 cristobalite -1.92 -2.12 -0.20 -0.066 0.48832E+03 61 cymrite-K -2.05 -5.54 -3.49 -0.291 0.86139E+04 63 diaspore -2.00 -3.16 -1.15 -0.192 0.28493E+04 64 diamond -1.80 -3.61 -1.81 -0.517 0.44620E+04 65 diopside 9.12 8.57 -0.55 -0.055 0.13525E+04 66 hedenbergite 7.61 5.91 -1.70 -0.170 0.42028E+04 67 dolomite,ordered -4.54 -6.03 -1.48 -0.247 0.36528E+04 68 eastonite 4.90 0.75 -4.15 -0.160 0.10234E+05 69 enstatite 8.89 6.26 -2.63 -0.263 0.64986E+04 70 clinoenstatite-HiP 9.66 6.26 -3.40 -0.340 0.83906E+04 71 clinoenstatite 8.83 6.26 -2.57 -0.257 0.63435E+04 72 protoenstatite 9.21 6.26 -2.95 -0.295 0.72749E+04 73 epidote 5.40 3.58 -1.82 -0.088 0.44796E+04 74 clinozoisite 1.22 -0.71 -1.93 -0.088 0.47645E+04 75 epidote-Fe 11.93 7.87 -4.06 -0.211 0.10024E+05 76 fayalite 6.50 3.05 -3.46 -0.494 0.85257E+04 77 ferrosilite 4.50 0.93 -3.57 -0.357 0.88039E+04 78 forsterite 11.49 8.38 -3.12 -0.445 0.76886E+04 81 gibbsite -0.62 -3.16 -2.54 -0.363 0.62662E+04 82 glaucophane 5.84 2.17 -3.67 -0.099 0.90510E+04 84 goethite 3.15 1.13 -2.01 -0.436 0.49695E+04 85 graphite -2.18 -3.61 -1.43 -0.410 0.35380E+04 86 greenalite 7.99 3.51 -4.48 -0.373 0.11054E+05 88 halite 0.80 -3.38 -4.18 -2.090 0.10311E+05 89 hematite 5.35 2.26 -3.09 -0.374 0.76121E+04 90 heulandite -12.66 -13.59 -0.93 -0.042 0.23006E+04 91 hercynite 1.13 -3.73 -4.87 -0.324 0.12003E+05 94 jadeite -0.33 -2.55 -2.21 -0.221 0.54585E+04 96 kalsilite 1.81 -1.30 -3.11 -0.445 0.76825E+04 97 kaolinite -8.39 -10.56 -2.16 -0.197 0.53365E+04 98 kyanite -5.65 -8.44 -2.79 -0.279 0.68731E+04 100 laumontite -5.98 -7.23 -1.25 -0.083 0.30804E+04 101 lawsonite -1.28 -2.99 -1.71 -0.114 0.42226E+04 102 leucite -0.94 -3.42 -2.48 -0.248 0.61306E+04 104 lizardite 13.45 11.50 -1.95 -0.162 0.48011E+04 105 magnesite -2.36 -4.17 -1.81 -0.605 0.44759E+04 106 magnetite 8.90 4.85 -4.06 -0.331 0.10012E+05 107 minnesotaite 3.20 -0.73 -3.93 -0.231 0.96872E+04 108 minnesotaite-Mg 10.59 7.27 -3.33 -0.196 0.82033E+04 112 margarite -6.19 -9.31 -3.12 -0.125 0.76919E+04 115 microcline -5.17 -5.54 -0.37 -0.029 0.91595E+03 116 monticellite 14.70 10.69 -4.01 -0.573 0.98899E+04 118 mullite-Si -4.29 -8.44 -4.15 -0.415 0.10231E+05 119 muscovite -9.89 -11.86 -1.97 -0.116 0.48683E+04 120 paragonite -8.96 -10.98 -2.02 -0.119 0.49943E+04 121 nepheline 2.11 -0.43 -2.54 -0.363 0.62632E+04 126 periclase 9.67 5.25 -4.42 -1.106 0.10916E+05 127 periclase-Fe 6.40 2.58 -3.82 -0.955 0.94202E+04 133 phlogopite-Na 13.05 11.08 -1.98 -0.110 0.48731E+04 135 prehnite 3.75 2.45 -1.30 -0.076 0.32040E+04 136 prehnite-Fe 8.65 6.74 -1.91 -0.115 0.47216E+04 137 pumpellyite-Fe 8.72 4.32 -4.39 -0.098 0.10841E+05 138 pumpellyite-Mg 10.67 6.99 -3.69 -0.082 0.90927E+04 140 px-Ca-tschermaks 3.09 -0.87 -3.97 -0.283 0.97915E+04 141 pyrite -19.70 -20.42 -0.72 -0.169 0.17742E+04 142 pyrrhotite -6.14 -7.46 -1.32 -0.441 0.32643E+04 143 pyrrhotiteFe0.875 -7.25 -8.15 -0.90 -0.332 0.22238E+04 144 pyroxmangite 4.14 0.35 -3.78 -0.757 0.93375E+04 145 pyrophyllite -12.61 -14.79 -2.19 -0.137 0.53988E+04 149 ringwoodite-Fe 7.68 3.05 -4.64 -0.662 0.11441E+05 151 rhodochrosite -2.94 -6.95 -4.00 -1.335 0.98795E+04 152 rhodonite 4.15 0.35 -3.80 -0.760 0.93695E+04 153 sanidine -4.33 -5.54 -1.21 -0.093 0.29820E+04 155 siderite -4.70 -6.83 -2.13 -0.711 0.52634E+04 156 sillimanite -5.58 -8.44 -2.86 -0.286 0.70549E+04 158 spinel 3.77 -1.07 -4.84 -0.322 0.11930E+05 163 stilbite -11.34 -13.59 -2.25 -0.107 0.55464E+04 164 stilpnomelane-Fe -3.38 -8.37 -4.99 -0.149 0.12308E+05 165 stilpnomelane-Mg 6.03 4.95 -1.08 -0.032 0.26607E+04 166 stishovite 2.11 -2.12 -4.22 -1.408 0.10421E+05 168 sudoite -3.88 -8.50 -4.62 -0.149 0.11391E+05 169 sulfur -8.88 -12.95 -4.07 -1.253 0.10047E+05 171 talc 7.82 7.27 -0.56 -0.033 0.13766E+04 173 talc-tschermaks 1.81 -2.18 -3.99 -0.234 0.98340E+04 178 topaz-H -4.74 -8.44 -3.69 -0.336 0.91115E+04 179 tridymite -1.94 -2.12 -0.18 -0.058 0.43283E+03 180 tremolite 25.26 24.41 -0.85 -0.023 0.20940E+04 182 troilite-low -6.16 -7.46 -1.31 -0.436 0.32253E+04 183 tschermakite 10.17 5.52 -4.66 -0.126 0.11489E+05 186 wadsleyite-Fe 7.71 3.05 -4.67 -0.667 0.11514E+05 188 wairakite -6.51 -7.23 -0.73 -0.043 0.17902E+04 189 walstromite 7.31 5.44 -1.86 -0.373 0.45987E+04 190 wollastonite 6.60 5.44 -1.15 -0.231 0.28480E+04 191 pseudo-wollastonite 6.89 5.44 -1.45 -0.290 0.35812E+04 192 zoisite 1.25 -0.71 -1.96 -0.089 0.48383E+04 193 beidellite-Ca -11.13 -13.89 -2.76 -0.171 0.68010E+04 194 beidellite-H -11.42 -15.14 -3.72 -0.237 0.91731E+04 195 beidellite-K -10.47 -13.83 -3.36 -0.206 0.82812E+04 196 beidellite-Mg -11.38 -14.27 -2.89 -0.179 0.71335E+04 197 beidellite-Na -10.42 -13.54 -3.11 -0.191 0.76766E+04 198 bornite -67.04 -67.47 -0.43 -0.032 0.10639E+04 200 chalcedony -1.99 -2.12 -0.13 -0.043 0.31953E+03 201 chalcocite -19.78 -21.41 -1.64 -0.409 0.40341E+04 202 covellite -15.06 -17.18 -2.12 -0.809 0.52380E+04 204 montmorillonite-Ca -9.10 -10.77 -1.67 -0.104 0.41314E+04 205 montmorillonite-K -8.57 -10.71 -2.14 -0.131 0.52796E+04 206 montmorillonite-Mg -9.36 -11.15 -1.79 -0.111 0.44161E+04 207 montmorillonite-Na -8.42 -10.42 -1.99 -0.122 0.49203E+04 209 nontronite-Ca -1.97 -5.31 -3.34 -0.216 0.82308E+04 210 nontronite-H -2.26 -6.56 -4.29 -0.288 0.10590E+05 211 nontronite-K -1.31 -5.24 -3.94 -0.253 0.97085E+04 212 nontronite-Mg -2.22 -5.69 -3.47 -0.225 0.85708E+04 213 nontronite-Na -1.26 -4.96 -3.69 -0.237 0.91076E+04 215 topaz -24.77 -29.16 -4.39 -0.488 0.10842E+05 229 tobermorite 7.99 4.18 -3.81 -1.039 0.93976E+04 235 alabandite -3.43 -7.58 -4.14 -1.381 0.10218E+05 240 boehmite -1.20 -3.16 -1.96 -0.327 0.48341E+04 242 chalcopyrite -24.27 -24.65 -0.38 -0.070 0.92678E+03 245 copper,native -0.79 -4.23 -3.44 -1.197 0.84894E+04 246 dolomite,disordered -4.25 -6.03 -1.77 -0.296 0.43763E+04 247 ferrous-oxide 5.09 2.58 -2.50 -0.626 0.61760E+04 248 fluorite -11.88 -13.17 -1.29 -0.430 0.31848E+04 249 galena -10.07 -10.94 -0.87 -0.291 0.21535E+04 257 silica-amorphous -1.65 -2.12 -0.47 -0.158 0.11671E+04 260 sphalerite -10.22 -11.91 -1.68 -0.561 0.41544E+04 261 wurtzite -8.96 -11.91 -2.95 -0.982 0.72710E+04 263 an20ab80 -3.77 -4.33 -0.57 -0.043 0.13947E+04 264 an25ab75 -3.66 -4.25 -0.59 -0.045 0.14471E+04 265 an30ab70 -3.55 -4.16 -0.61 -0.047 0.15158E+04 266 tr.625ac.25prg.125 20.95 20.38 -0.58 -0.015 0.14188E+04 271 FeS-amorphous -4.27 -7.46 -3.19 -1.065 0.78786E+04 Calculations done for 266.0000 Deg. C; 54.3979 bar Enthalpies: Pure water 5.0121 kcal/mole H2O,gas 11.9290 kcal/mole CO2,gas 3.8183 kcal/mole CH4,gas 3.7879 kcal/mole Current solution 266.8387 Gas 29.6919 kcal Total current enthalpy 296.5306 kcal Starting enthalpy 296.5306 kcal Temperature changed by -2.000 degrees to 264.000 degrees C. Solids and gases carried ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ Test file for CHIM-XPT. Boil Broadlands Water Water similar to Broadlands Well No. 2 CHIMRUN demo-2a ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ Number of loops used = 16 Loop limit = 200 Temperature = 264.00 C Pressure = 52.34 bar Mixer fraction = 0.0000000 Total current enthalpy = 296.5306 KCAL Water: Moles liquid = 0.5291E+02 kg liquid = 0.9533E+00 Moles total = 0.5551E+02 kg total = 0.1000E+01 Activity = 0.9994 Stoichiometric ionic strength = .5031338E-01 Osmotic coef. = 0.8852 True ionic strength = .3314340E-01 Chg. balance for total moles = 0.2402E-07 Max. difference allowed = 0.3072E-05 Log Log Log Species(n) Molality Molality Activity Activity Gamma Gamma 1 H+ 0.37376E-06 -6.4274 0.26327E-06 -6.5796 0.70437E+00 -0.1522 2 H2O 0.99944E+00 -0.0002 0.99944E+00 -0.0002 3 Cl- 0.30434E-01 -1.5166 0.21105E-01 -1.6756 0.69347E+00 -0.1590 4 SO4-- 0.13131E-07 -7.8817 0.33565E-08 -8.4741 0.25562E+00 -0.5924 5 HCO3- 0.19342E-02 -2.7135 0.13504E-02 -2.8695 0.69815E+00 -0.1561 6 HS- 0.46689E-03 -3.3308 0.32401E-03 -3.4894 0.69397E+00 -0.1587 7 H4SiO4 0.74711E-02 -2.1266 0.74711E-02 -2.1266 0.10000E+01 0.0000 8 Al+++ 0.29782E-21 -21.5260 0.13523E-22 -22.8689 0.45406E-01 -1.3429 9 Ca++ 0.12356E-04 -4.9081 0.30815E-05 -5.5112 0.24940E+00 -0.6031 10 Mg++ 0.55368E-07 -7.2567 0.13549E-07 -7.8681 0.24471E+00 -0.6113 11 Fe++ 0.10668E-09 -9.9719 0.26228E-10 -10.5812 0.24586E+00 -0.6093 12 K+ 0.38543E-02 -2.4141 0.26959E-02 -2.5693 0.69947E+00 -0.1552 13 Na+ 0.29227E-01 -1.5342 0.20278E-01 -1.6930 0.69380E+00 -0.1588 14 Mn++ 0.10581E-09 -9.9755 0.26106E-10 -10.5833 0.24672E+00 -0.6078 15 Zn++ 0.47924E-14 -14.3194 0.11783E-14 -14.9288 0.24586E+00 -0.6093 16 Cu+ 0.75266E-12 -12.1234 0.52207E-12 -12.2823 0.69363E+00 -0.1589 17 Pb++ 0.41285E-13 -13.3842 0.10416E-13 -13.9823 0.25230E+00 -0.5981 18 Hg++ 0.15280E-32 -32.8159 0.38340E-33 -33.4163 0.25092E+00 -0.6005 19 F- 0.22703E-03 -3.6439 0.15544E-03 -3.8084 0.68469E+00 -0.1645 21 HSiO3- 0.29260E-04 -4.5337 0.20291E-04 -4.6927 0.69347E+00 -0.1590 22 Ca(HSiO3)+ 0.95304E-07 -7.0209 0.66719E-07 -7.1757 0.70007E+00 -0.1549 23 Mg(HSiO3)+ 0.27688E-09 -9.5577 0.19384E-09 -9.7126 0.70007E+00 -0.1549 24 NaHSiO3,aq 0.64924E-05 -5.1876 0.64924E-05 -5.1876 0.10000E+01 0.0000 27 HAlO2,aq 0.91902E-08 -8.0367 0.91902E-08 -8.0367 0.10000E+01 0.0000 28 AlO2- 0.23005E-05 -5.6382 0.15783E-05 -5.8018 0.68608E+00 -0.1636 29 CH4,aq 0.18482E-03 -3.7332 0.18216E-03 -3.7395 0.98558E+00 -0.0063 30 C2H6,aq 0.42242E-10 -10.3743 0.41633E-10 -10.3806 0.98558E+00 -0.0063 34 CO,aq 0.19213E-06 -6.7164 0.19213E-06 -6.7164 0.10000E+01 0.0000 35 CO2,aq 0.28900E-01 -1.5391 0.28484E-01 -1.5454 0.98558E+00 -0.0063 36 CO3-2 0.19497E-06 -6.7100 0.49441E-07 -7.3059 0.25358E+00 -0.5959 37 CaCO3,aq 0.57835E-06 -6.2378 0.57835E-06 -6.2378 0.10000E+01 0.0000 38 Ca(HCO3)+ 0.10202E-04 -4.9913 0.71424E-05 -5.1462 0.70007E+00 -0.1549 39 CaCl+ 0.11079E-04 -4.9555 0.77561E-05 -5.1104 0.70007E+00 -0.1549 40 CaCl2,aq 0.18423E-06 -6.7346 0.18423E-06 -6.7346 0.10000E+01 0.0000 41 CaF+ 0.86801E-06 -6.0615 0.60767E-06 -6.2163 0.70007E+00 -0.1549 42 CaOH+ 0.19963E-05 -5.6998 0.13975E-05 -5.8546 0.70007E+00 -0.1549 43 CaSO4,aq 0.25741E-09 -9.5894 0.25741E-09 -9.5894 0.10000E+01 0.0000 44 HCl,aq 0.21008E-07 -7.6776 0.21008E-07 -7.6776 0.10000E+01 0.0000 53 CuCl,aq 0.12602E-09 -9.8996 0.12602E-09 -9.8996 0.10000E+01 0.0000 54 CuCl2- 0.85972E-10 -10.0656 0.59619E-10 -10.2246 0.69347E+00 -0.1590 61 HF,aq 0.16946E-04 -4.7709 0.16946E-04 -4.7709 0.10000E+01 0.0000 62 HF2- 0.11168E-08 -8.9520 0.77445E-09 -9.1110 0.69347E+00 -0.1590 64 FeCl+ 0.59362E-10 -10.2265 0.41557E-10 -10.3814 0.70007E+00 -0.1549 69 FeO,aq 0.10140E-08 -8.9940 0.10140E-08 -8.9940 0.10000E+01 0.0000 70 FeOH+ 0.88290E-09 -9.0541 0.61809E-09 -9.2089 0.70007E+00 -0.1549 71 HFeO2- 0.19890E-09 -9.7014 0.13793E-09 -9.8603 0.69347E+00 -0.1590 74 FeO2- 0.19088E-09 -9.7192 0.13237E-09 -9.8782 0.69347E+00 -0.1590 75 HFeO2,aq 0.78992E-10 -10.1024 0.78992E-10 -10.1024 0.10000E+01 0.0000 76 H2,aq 0.15850E-03 -3.8000 0.15621E-03 -3.8063 0.98558E+00 -0.0063 77 Hg,aq 0.58112E-09 -9.2357 0.57275E-09 -9.2420 0.98558E+00 -0.0063 90 KCl,aq 0.43212E-04 -4.3644 0.43212E-04 -4.3644 0.10000E+01 0.0000 92 KOH,aq 0.34188E-06 -6.4661 0.34188E-06 -6.4661 0.10000E+01 0.0000 93 KSO4- 0.50271E-08 -8.2987 0.34861E-08 -8.4577 0.69347E+00 -0.1590 94 MgCO3,aq 0.26681E-09 -9.5738 0.26681E-09 -9.5738 0.10000E+01 0.0000 95 Mg(HCO3)+ 0.39772E-07 -7.4004 0.27843E-07 -7.5553 0.70007E+00 -0.1549 96 MgCl+ 0.22115E-07 -7.6553 0.15482E-07 -7.8102 0.70007E+00 -0.1549 97 MgF+ 0.10093E-07 -7.9960 0.70661E-08 -8.1508 0.70007E+00 -0.1549 98 MgOH+ 0.26725E-07 -7.5731 0.18709E-07 -7.7279 0.70007E+00 -0.1549 101 MnO,aq 0.29152E-10 -10.5353 0.29152E-10 -10.5353 0.10000E+01 0.0000 102 MnOH+ 0.13281E-09 -9.8768 0.92975E-10 -10.0316 0.70007E+00 -0.1549 107 MnCl+ 0.12974E-08 -8.8869 0.90826E-09 -9.0418 0.70007E+00 -0.1549 109 NaCl,aq 0.17375E-02 -2.7601 0.17375E-02 -2.7601 0.10000E+01 0.0000 110 NaF,aq 0.10779E-04 -4.9674 0.10779E-04 -4.9674 0.10000E+01 0.0000 111 NaOH,aq 0.16233E-05 -5.7896 0.16233E-05 -5.7896 0.10000E+01 0.0000 113 OH- 0.36788E-04 -4.4343 0.25239E-04 -4.5979 0.68608E+00 -0.1636 124 Pb(HS)2,aq 0.11289E-07 -7.9474 0.11289E-07 -7.9474 0.10000E+01 0.0000 125 Pb(HS)3- 0.24433E-09 -9.6120 0.16944E-09 -9.7710 0.69347E+00 -0.1590 126 H2S,aq 0.20127E-02 -2.6962 0.19837E-02 -2.7025 0.98558E+00 -0.0063 127 S2-2 0.12402E-09 -9.9065 0.31449E-10 -10.5024 0.25358E+00 -0.5959 134 HSO3- 0.23410E-10 -10.6306 0.16234E-10 -10.7896 0.69347E+00 -0.1590 135 HSO4- 0.40163E-09 -9.3962 0.28204E-09 -9.5497 0.70224E+00 -0.1535 154 ZnOH+ 0.60397E-10 -10.2190 0.42282E-10 -10.3738 0.70007E+00 -0.1549 158 AlF2+ 0.55213E-10 -10.2580 0.38653E-10 -10.4128 0.70007E+00 -0.1549 159 AlF3,aq 0.55022E-08 -8.2595 0.55022E-08 -8.2595 0.10000E+01 0.0000 160 AlF4- 0.93758E-08 -8.0280 0.65018E-08 -8.1870 0.69347E+00 -0.1590 161 AlF5-- 0.17291E-09 -9.7622 0.43846E-10 -10.3581 0.25358E+00 -0.5959 164 Cu(HS)2- 0.65157E-07 -7.1860 0.45184E-07 -7.3450 0.69347E+00 -0.1590 165 CuH4S3-a 0.15405E-10 -10.8123 0.10683E-10 -10.9713 0.69347E+00 -0.1590 166 CuH4S3-b 0.46239E-10 -10.3350 0.32065E-10 -10.4940 0.69347E+00 -0.1590 180 MnCl2,aq 0.11193E-08 -8.9511 0.11193E-08 -8.9511 0.10000E+01 0.0000 181 MnCl3- 0.16485E-09 -9.7829 0.11432E-09 -9.9419 0.69347E+00 -0.1590 182 MnCO3,aq 0.16881E-10 -10.7726 0.16881E-10 -10.7726 0.10000E+01 0.0000 183 NaCO3- 0.79311E-07 -7.1007 0.55000E-07 -7.2596 0.69347E+00 -0.1590 184 NaHCO3,aq 0.82227E-04 -4.0850 0.82227E-04 -4.0850 0.10000E+01 0.0000 185 NaHS,aq 0.19729E-04 -4.7049 0.19729E-04 -4.7049 0.10000E+01 0.0000 186 NaSO4- 0.69644E-08 -8.1571 0.48296E-08 -8.3161 0.69347E+00 -0.1590 187 PbCO3,aq 0.43738E-10 -10.3591 0.43738E-10 -10.3591 0.10000E+01 0.0000 188 PbOH+ 0.36562E-10 -10.4370 0.25596E-10 -10.5918 0.70007E+00 -0.1549 189 PbH4S3,aq 0.21808E-10 -10.6614 0.21808E-10 -10.6614 0.10000E+01 0.0000 193 Zn(HS)2,aq 0.15781E-07 -7.8019 0.15781E-07 -7.8019 0.10000E+01 0.0000 194 Zn(HS)3- 0.19667E-09 -9.7063 0.13638E-09 -9.8652 0.69347E+00 -0.1590 Charge balance for all species = 0.2520E-07 Component Molality Aq.molality ppm log[A(N)/A(H+)**Z] (total) 1 H+ 0.3737616E-06 0.3080418E-01 0.3091832E+02 0.0000 2 H2O 0.1000000E+01 0.5547970E+02 0.9952844E+06 0.0000 3 Cl- 0.3043368E-01 0.3222587E-01 0.1137704E+04 4.9040 4 SO4-- 0.1313066E-07 -.2244707E-03 -.2147242E+02 4.6851 5 HCO3- 0.1934241E-02 0.3111294E-01 0.1890449E+04 3.7101 6 HS- 0.4668928E-03 0.2723976E-02 0.8970886E+02 3.0902 7 H4SiO4 0.7471129E-02 0.7506977E-02 0.7185047E+03 -2.1266 8 Al+++ 0.2978222E-21 0.2324803E-05 0.6246315E-01 -3.1301 9 Ca++ 0.1235564E-04 0.3735957E-04 0.1491006E+01 7.6480 10 Mg++ 0.5536757E-07 0.1546194E-06 0.3743313E-02 5.2911 11 Fe++ 0.1066758E-09 0.2546298E-08 0.1416057E-03 2.5780 12 K+ 0.3854261E-02 0.3897820E-02 0.1517722E+03 4.0103 13 Na+ 0.2922700E-01 0.3108542E-01 0.7116451E+03 4.8866 14 Mn++ 0.1058134E-09 0.2870736E-08 0.1570499E-03 2.5760 15 Zn++ 0.4792414E-14 0.1604991E-07 0.1044774E-02 -1.7695 16 Cu+ 0.7526595E-12 0.6543127E-07 0.4140036E-02 -5.7027 17 Pb++ 0.4128519E-13 0.1164405E-07 0.2402395E-02 -0.8231 18 Hg++ 0.1527963E-32 0.5852145E-09 0.1168950E-03 -20.2571 19 F- 0.2270257E-03 0.2556862E-03 0.4837118E+01 2.7712 Component Tot moles Aq. moles Solid moles Gas moles 1 H+ 0.1822172E+00 0.2936490E-01 -.2999973E-06 0.1528526E+00 2 H2O 0.5550825E+02 0.5288750E+02 -.1398016E-02 0.2622151E+01 3 Cl- 0.3072017E-01 0.3072017E-01 0.0000000E+00 0.1789952E-08 4 SO4-- -.4257700E-02 -.2139826E-03 0.0000000E+00 -.4043717E-02 5 HCO3- 0.1832100E+00 0.2965924E-01 0.0000000E+00 0.1535508E+00 6 HS- 0.9985820E-02 0.2596703E-02 0.0000000E+00 0.7389117E-02 7 H4SiO4 0.7855346E-02 0.7156225E-02 0.6991204E-03 0.0000000E+00 8 Al+++ 0.2253680E-05 0.2216180E-05 0.3749966E-07 0.0000000E+00 9 Ca++ 0.3561400E-04 0.3561400E-04 0.0000000E+00 0.0000000E+00 10 Mg++ 0.2355503E-06 0.1473950E-06 0.8815528E-07 0.0000000E+00 11 Fe++ 0.8017372E-08 0.2427326E-08 0.5590046E-08 0.0000000E+00 12 K+ 0.3715700E-02 0.3715700E-02 0.0000000E+00 0.0000000E+00 13 Na+ 0.2963300E-01 0.2963300E-01 0.0000000E+00 0.0000000E+00 14 Mn++ 0.2740424E-08 0.2736606E-08 0.3817870E-11 0.0000000E+00 15 Zn++ 0.1530000E-07 0.1530000E-07 0.0000000E+00 0.0000000E+00 16 Cu+ 0.6237410E-07 0.6237410E-07 0.0000000E+00 0.0000000E+00 17 Pb++ 0.1110000E-07 0.1110000E-07 0.0000000E+00 0.0000000E+00 18 Hg++ 0.4000000E-08 0.5578712E-09 0.0000000E+00 0.3442129E-08 19 F- 0.2439100E-03 0.2437396E-03 0.0000000E+00 0.1703713E-06 Chg. balance for solid moles: -.3516E-16 Mass of aqueous solution: 0.957298E+03 g Temperature = 264.00 C Pressure = 52.34 bar Mixer frac. = 0.0000000 Log Log Vol Gas or mineral Moles Moles Grams Grams Wt.% (cm3) H2O,gas 2.766 0.442 49.82 1.697 88.01 1853. CO2,gas 0.1503 -0.823 6.614 0.820 11.68 137.9 CH4,gas 0.3275E-02 -2.485 0.5252E-01 -1.280 0.9279E-01 3.353 H2,gas 0.3074E-02 -2.512 0.6209E-02 -2.207 0.1097E-01 2.673 H2S,gas 0.3345E-02 -2.476 0.1140 -0.943 0.2014 2.670 CO,gas 0.2831E-05 -5.548 0.7930E-04 -4.101 0.1401E-03 0.2416E-02 SO2,gas 0.3375E-12 -12.472 0.2162E-10 -10.665 0.3820E-10 0.2880E-09 HF,gas 0.1704E-06 -6.769 0.3407E-05 -5.468 0.6020E-05 0.1454E-03 HCl,gas 0.1790E-08 -8.747 0.6526E-07 -7.185 0.1153E-06 0.1527E-05 Hg,gas 0.3442E-08 -8.463 0.6905E-06 -6.161 0.1220E-05 0.2937E-05 clinochlore 0.1763E-07 -7.754 0.9800E-05 -5.009 0.2333E-01 0.3728E-05 daphnite 0.1118E-08 -8.952 0.7977E-06 -6.098 0.1899E-02 0.2417E-06 chlorite-Mn 0.7636E-12 -12.117 0.5414E-09 -9.267 0.1289E-05 0.1725E-09 quartz 0.6991E-03 -3.155 0.4200E-01 -1.377 99.97 0.1586E-01 Partial press. Fugacity coef Log fugacity Gas or Mineral Mole fraction or activity Activity coef Log activity H2O,gas 0.9453E+00 0.4948E+02 0.8313 1.614 CO2,gas 0.5136E-01 0.2688E+01 0.9816 0.421 CH4,gas 0.1119E-02 0.5857E-01 1.1650 -1.166 H2,gas 0.1050E-02 0.5498E-01 1.0194 -1.251 H2S,gas 0.1143E-02 0.5984E-01 0.9349 -1.252 CO,gas 0.9675E-06 0.5064E-04 1.0000 -4.296 SO2,gas 0.1154E-12 0.6038E-11 1.0000 -11.219 HF,gas 0.5823E-07 0.3047E-05 1.0000 -5.516 HCl,gas 0.6117E-09 0.3202E-07 1.0000 -7.495 Hg,gas 0.1176E-08 0.6157E-07 1.0000 -7.211 clinochlore 0.9403E+00 0.9403E+00 1.0000 -0.027 daphnite 0.5963E-01 0.5963E-01 1.0000 -1.225 chlorite-Mn 0.4072E-04 0.4072E-04 1.0000 -4.390 quartz 0.1000E+01 0.1000E+01 1.0000 0.000 Current weight percent of gas: 5.582503 % Solid products produced: Mass = 0.042010 g Volume = 0.015865 cm3 WARNING: mineral volume may be in error because some mineral densities were not supplied in SOLTHERM. See mineral list in file Skip_Species.txt. NON-Ideal mixing with H2O, CO2, CH4 Gases ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ The following gases and minerals are presently in matrix or were just added Gas or Mineral Log K Log Q Log(Q/K) Log(Q/K)/S Affinity Log Fugacity 1 H2O,gas 0.10 0.10 -0.00 -0.000 0.91655E-09 2 CO2,gas -8.15 -8.15 0.00 0.000 -0.33619E-09 3 CH4,gas 5.00 5.00 0.00 0.000 -0.87541E-09 4 H2,gas 5.86 5.86 0.00 0.000 -0.80773E-10 5 H2S,gas -7.10 -7.10 -0.00 -0.000 0.27507E-09 6 CO,gas -0.54 -0.54 -0.00 -0.000 0.16373E-11 7 SO2,gas -5.80 -5.80 -0.00 -0.000 0.65492E-11 8 HF,gas -3.15 -3.15 -0.00 -0.000 0.21831E-11 9 HCl,gas 0.96 0.96 0.00 0.000 0.00000E+00 10 Hg,gas -8.44 -8.44 0.00 0.000 -0.43661E-11 43 clinochlore 13.95 13.95 0.00 0.000 -0.17464E-10 44 daphnite 6.37 6.37 0.00 0.000 -0.17464E-10 45 chlorite-Mn 22.19 22.19 0.00 0.000 0.00000E+00 146 quartz -2.13 -2.13 0.00 0.000 0.00000E+00 The following gases and minerals are presently EXCLUDED from matrix (Gases and minerals with log(Q/K) less than -5 are not listed below) Gas or Mineral Log K Log Q Log(Q/K) Log(Q/K)/S Affinity Log Fugacity 11 acmite 4.72 1.77 -2.95 -0.307 0.72574E+04 15 albite-high -3.56 -4.62 -1.06 -0.082 0.26093E+04 16 albite -4.04 -4.62 -0.58 -0.045 0.14323E+04 20 analcite -1.17 -2.50 -1.33 -0.148 0.32680E+04 21 andalusite -5.61 -8.39 -2.78 -0.278 0.68282E+04 22 andradite 22.23 18.83 -3.40 -0.177 0.83556E+04 23 grossular 12.54 10.30 -2.24 -0.112 0.55039E+04 25 ankerite -6.47 -8.67 -2.20 -0.367 0.54098E+04 26 annite 6.57 2.23 -4.33 -0.241 0.10646E+05 27 phlogopite 11.75 10.37 -1.38 -0.077 0.33925E+04 29 anorthite -1.30 -2.87 -1.57 -0.121 0.38546E+04 32 aragonite -1.38 -1.80 -0.42 -0.141 0.10427E+04 33 brucite 7.98 5.29 -2.69 -0.537 0.66003E+04 34 calcite -1.53 -1.80 -0.27 -0.091 0.67154E+03 35 carnegieite-low 2.68 -0.37 -3.05 -0.435 0.74860E+04 36 carnegieite-high 3.17 -0.37 -3.54 -0.506 0.87106E+04 37 carpholite-Mg -2.93 -5.22 -2.29 -0.153 0.56358E+04 38 carpholite-Fe -4.34 -7.94 -3.59 -0.239 0.88296E+04 39 celadonite -0.07 -2.33 -2.27 -0.133 0.55707E+04 40 celadonite-Fe -1.34 -5.05 -3.70 -0.218 0.91049E+04 41 chrysotile 13.77 11.62 -2.15 -0.180 0.52953E+04 46 chlorite-Al-free 27.29 23.24 -4.05 -0.169 0.99564E+04 47 chloritoid-Mg -0.42 -3.10 -2.68 -0.179 0.65856E+04 48 chloritoid-Fe -3.15 -5.81 -2.66 -0.177 0.65324E+04 49 chloritoid-Mn -0.94 -5.81 -4.87 -0.325 0.11967E+05 51 coesite -1.68 -2.13 -0.45 -0.150 0.11042E+04 56 corundum -3.20 -6.26 -3.06 -0.278 0.75132E+04 58 cristobalite -1.93 -2.13 -0.20 -0.067 0.49097E+03 61 cymrite-K -2.01 -5.50 -3.49 -0.291 0.85710E+04 63 diaspore -1.96 -3.13 -1.17 -0.196 0.28870E+04 64 diamond -1.81 -3.67 -1.86 -0.531 0.45683E+04 65 diopside 9.19 8.69 -0.50 -0.050 0.12273E+04 66 hedenbergite 7.67 5.97 -1.70 -0.170 0.41789E+04 67 dolomite,ordered -4.47 -5.96 -1.48 -0.247 0.36483E+04 68 eastonite 5.13 0.95 -4.18 -0.161 0.10275E+05 69 enstatite 8.97 6.33 -2.64 -0.264 0.64836E+04 70 clinoenstatite-HiP 9.74 6.33 -3.41 -0.341 0.83752E+04 71 clinoenstatite 8.90 6.33 -2.57 -0.257 0.63286E+04 72 protoenstatite 9.28 6.33 -2.95 -0.295 0.72619E+04 73 epidote 5.59 3.79 -1.80 -0.087 0.44175E+04 74 clinozoisite 1.43 -0.47 -1.91 -0.087 0.46877E+04 75 epidote-Fe 12.11 8.05 -4.06 -0.211 0.99742E+04 76 fayalite 6.57 3.03 -3.54 -0.506 0.87112E+04 77 ferrosilite 4.56 0.90 -3.66 -0.366 0.89881E+04 78 forsterite 11.58 8.46 -3.12 -0.446 0.76745E+04 81 gibbsite -0.57 -3.13 -2.56 -0.365 0.62846E+04 82 glaucophane 6.01 2.38 -3.63 -0.098 0.89259E+04 84 goethite 3.18 1.13 -2.05 -0.442 0.50278E+04 85 graphite -2.18 -3.67 -1.48 -0.424 0.36464E+04 86 greenalite 8.07 3.48 -4.59 -0.382 0.11277E+05 88 halite 0.82 -3.37 -4.19 -2.094 0.10292E+05 89 hematite 5.42 2.26 -3.15 -0.382 0.77532E+04 90 heulandite -12.59 -13.50 -0.91 -0.041 0.22417E+04 91 hercynite 1.29 -3.68 -4.97 -0.331 0.12212E+05 94 jadeite -0.29 -2.50 -2.21 -0.221 0.54250E+04 96 kalsilite 1.87 -1.25 -3.11 -0.445 0.76513E+04 97 kaolinite -8.32 -10.51 -2.19 -0.199 0.53895E+04 98 kyanite -5.55 -8.39 -2.84 -0.284 0.69817E+04 100 laumontite -5.89 -7.12 -1.23 -0.082 0.30111E+04 101 lawsonite -1.17 -2.87 -1.69 -0.113 0.41597E+04 102 leucite -0.89 -3.37 -2.48 -0.248 0.61075E+04 104 lizardite 13.54 11.62 -1.92 -0.160 0.47161E+04 105 magnesite -2.32 -4.16 -1.84 -0.614 0.45256E+04 106 magnetite 9.01 4.84 -4.17 -0.340 0.10247E+05 107 minnesotaite 3.27 -0.77 -4.04 -0.238 0.99342E+04 108 minnesotaite-Mg 10.68 7.37 -3.32 -0.195 0.81493E+04 112 margarite -5.96 -9.13 -3.16 -0.127 0.77768E+04 115 microcline -5.14 -5.50 -0.36 -0.028 0.88199E+03 116 monticellite 14.79 10.81 -3.97 -0.568 0.97674E+04 118 mullite-Si -4.18 -8.39 -4.21 -0.421 0.10348E+05 119 muscovite -9.76 -11.76 -2.00 -0.118 0.49185E+04 120 paragonite -8.83 -10.88 -2.06 -0.121 0.50552E+04 121 nepheline 2.17 -0.37 -2.54 -0.363 0.62421E+04 126 periclase 9.73 5.29 -4.44 -1.110 0.10909E+05 127 periclase-Fe 6.45 2.58 -3.87 -0.968 0.95148E+04 133 phlogopite-Na 13.21 11.25 -1.96 -0.109 0.48053E+04 135 prehnite 3.90 2.66 -1.24 -0.073 0.30597E+04 136 prehnite-Fe 8.79 6.92 -1.87 -0.112 0.45956E+04 137 pumpellyite-Fe 9.09 4.76 -4.33 -0.096 0.10635E+05 138 pumpellyite-Mg 11.05 7.47 -3.58 -0.079 0.87875E+04 140 px-Ca-tschermaks 3.24 -0.74 -3.98 -0.284 0.97894E+04 141 pyrite -19.68 -20.45 -0.77 -0.182 0.18987E+04 142 pyrrhotite -6.11 -7.49 -1.38 -0.460 0.33948E+04 143 pyrrhotiteFe0.875 -7.22 -8.17 -0.95 -0.350 0.23395E+04 144 pyroxmangite 4.17 0.45 -3.72 -0.744 0.91415E+04 145 pyrophyllite -12.54 -14.77 -2.23 -0.139 0.54800E+04 149 ringwoodite-Fe 7.76 3.03 -4.73 -0.675 0.11620E+05 151 rhodochrosite -2.91 -6.87 -3.96 -1.321 0.97394E+04 152 rhodonite 4.18 0.45 -3.73 -0.746 0.91739E+04 153 sanidine -4.30 -5.50 -1.20 -0.092 0.29480E+04 155 siderite -4.67 -6.87 -2.20 -0.734 0.54119E+04 156 sillimanite -5.47 -8.39 -2.92 -0.292 0.71688E+04 158 spinel 3.93 -0.97 -4.90 -0.326 0.12037E+05 163 stilbite -11.30 -13.50 -2.20 -0.105 0.54115E+04 165 stilpnomelane-Mg 6.24 5.19 -1.05 -0.031 0.25776E+04 166 stishovite 2.11 -2.13 -4.24 -1.412 0.10413E+05 168 sudoite -3.63 -8.32 -4.68 -0.151 0.11515E+05 169 sulfur -8.87 -12.96 -4.09 -1.260 0.10063E+05 171 talc 7.91 7.37 -0.54 -0.032 0.13204E+04 173 talc-tschermaks 1.97 -2.06 -4.03 -0.237 0.99044E+04 178 topaz-H -4.65 -8.39 -3.74 -0.340 0.91855E+04 179 tridymite -1.95 -2.13 -0.18 -0.059 0.43534E+03 180 tremolite 25.47 24.74 -0.73 -0.020 0.17907E+04 182 troilite-low -6.13 -7.49 -1.36 -0.455 0.33532E+04 183 tschermakite 10.54 5.89 -4.65 -0.126 0.11430E+05 186 wadsleyite-Fe 7.79 3.03 -4.76 -0.680 0.11697E+05 188 wairakite -6.40 -7.12 -0.72 -0.042 0.17622E+04 189 walstromite 7.35 5.52 -1.82 -0.365 0.44839E+04 190 wollastonite 6.63 5.52 -1.11 -0.222 0.27327E+04 191 pseudo-wollastonite 6.93 5.52 -1.41 -0.282 0.34678E+04 192 zoisite 1.46 -0.47 -1.94 -0.088 0.47623E+04 193 beidellite-Ca -11.03 -13.84 -2.80 -0.173 0.68839E+04 194 beidellite-H -11.32 -15.10 -3.77 -0.241 0.92720E+04 195 beidellite-K -10.38 -13.77 -3.40 -0.208 0.83517E+04 196 beidellite-Mg -11.28 -14.22 -2.94 -0.182 0.72341E+04 197 beidellite-Na -10.33 -13.48 -3.15 -0.193 0.77505E+04 198 bornite -67.16 -67.66 -0.50 -0.037 0.12182E+04 200 chalcedony -2.00 -2.13 -0.13 -0.043 0.31972E+03 201 chalcocite -19.83 -21.47 -1.64 -0.411 0.40387E+04 202 covellite -15.09 -17.22 -2.13 -0.812 0.52401E+04 204 montmorillonite-Ca -9.03 -10.72 -1.70 -0.105 0.41751E+04 205 montmorillonite-K -8.50 -10.66 -2.16 -0.132 0.53145E+04 206 montmorillonite-Mg -9.29 -11.11 -1.82 -0.113 0.44773E+04 207 montmorillonite-Na -8.36 -10.37 -2.02 -0.123 0.49552E+04 209 nontronite-Ca -1.92 -5.31 -3.39 -0.220 0.83419E+04 210 nontronite-H -2.21 -6.57 -4.36 -0.292 0.10717E+05 211 nontronite-K -1.26 -5.25 -3.99 -0.256 0.98072E+04 212 nontronite-Mg -2.16 -5.70 -3.54 -0.230 0.86994E+04 213 nontronite-Na -1.21 -4.96 -3.75 -0.241 0.92099E+04 215 topaz -24.66 -29.16 -4.50 -0.500 0.11061E+05 229 tobermorite 8.01 4.24 -3.76 -1.026 0.92464E+04 235 alabandite -3.40 -7.49 -4.10 -1.365 0.10066E+05 240 boehmite -1.15 -3.13 -1.99 -0.331 0.48794E+04 242 chalcopyrite -24.28 -24.71 -0.43 -0.080 0.10602E+04 245 copper,native -0.81 -4.26 -3.45 -1.199 0.84746E+04 246 dolomite,disordered -4.18 -5.96 -1.78 -0.297 0.43777E+04 247 ferrous-oxide 5.13 2.58 -2.55 -0.638 0.62724E+04 248 fluorite -11.83 -13.13 -1.30 -0.432 0.31834E+04 249 galena -10.07 -10.89 -0.82 -0.273 0.20117E+04 257 silica-amorphous -1.65 -2.13 -0.48 -0.159 0.11732E+04 260 sphalerite -10.21 -11.84 -1.63 -0.543 0.40051E+04 261 wurtzite -8.94 -11.84 -2.90 -0.966 0.71219E+04 263 an20ab80 -3.71 -4.27 -0.56 -0.043 0.13835E+04 264 an25ab75 -3.60 -4.18 -0.58 -0.045 0.14374E+04 265 an30ab70 -3.48 -4.10 -0.61 -0.047 0.15078E+04 266 tr.625ac.25prg.125 21.18 20.66 -0.52 -0.014 0.12805E+04 271 FeS-amorphous -4.25 -7.49 -3.24 -1.080 0.79626E+04 Calculations done for 264.0000 Deg. C; 52.3383 bar Enthalpies: Pure water 4.9685 kcal/mole H2O,gas 11.9465 kcal/mole CO2,gas 3.7733 kcal/mole CH4,gas 3.7313 kcal/mole Current solution 262.9065 Gas 33.6241 kcal Total current enthalpy 296.5306 kcal Starting enthalpy 296.5306 kcal Temperature changed by -2.000 degrees to 262.000 degrees C. Solids and gases carried ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ Test file for CHIM-XPT. Boil Broadlands Water Water similar to Broadlands Well No. 2 CHIMRUN demo-2a ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ Number of loops used = 16 Loop limit = 200 Temperature = 262.00 C Pressure = 50.41 bar Mixer fraction = 0.0000000 Total current enthalpy = 296.5306 KCAL Water: Moles liquid = 0.5260E+02 kg liquid = 0.9475E+00 Moles total = 0.5551E+02 kg total = 0.1000E+01 Activity = 0.9995 Stoichiometric ionic strength = .4869685E-01 Osmotic coef. = 0.8872 True ionic strength = .3340261E-01 Chg. balance for total moles = 0.2402E-07 Max. difference allowed = 0.3072E-05 Log Log Log Species(n) Molality Molality Activity Activity Gamma Gamma 1 H+ 0.34899E-06 -6.4572 0.24632E-06 -6.6085 0.70580E+00 -0.1513 2 H2O 0.99950E+00 -0.0002 0.99950E+00 -0.0002 3 Cl- 0.30672E-01 -1.5133 0.21316E-01 -1.6713 0.69497E+00 -0.1580 4 SO4-- 0.15842E-07 -7.8002 0.40816E-08 -8.3892 0.25764E+00 -0.5890 5 HCO3- 0.19362E-02 -2.7130 0.13547E-02 -2.8682 0.69963E+00 -0.1551 6 HS- 0.47625E-03 -3.3222 0.33122E-03 -3.4799 0.69547E+00 -0.1577 7 H4SiO4 0.73469E-02 -2.1339 0.73469E-02 -2.1339 0.10000E+01 0.0000 8 Al+++ 0.25761E-21 -21.5890 0.11907E-22 -22.9242 0.46222E-01 -1.3352 9 Ca++ 0.12847E-04 -4.8912 0.32298E-05 -5.4908 0.25140E+00 -0.5996 10 Mg++ 0.52887E-07 -7.2766 0.13047E-07 -7.8845 0.24670E+00 -0.6078 11 Fe++ 0.93744E-10 -10.0281 0.23235E-10 -10.6339 0.24786E+00 -0.6058 12 K+ 0.38793E-02 -2.4112 0.27192E-02 -2.5656 0.70094E+00 -0.1543 13 Na+ 0.29460E-01 -1.5308 0.20483E-01 -1.6886 0.69529E+00 -0.1578 14 Mn++ 0.11458E-09 -9.9409 0.28497E-10 -10.5452 0.24872E+00 -0.6043 15 Zn++ 0.50736E-14 -14.2947 0.12576E-14 -14.9005 0.24786E+00 -0.6058 16 Cu+ 0.66993E-12 -12.1740 0.46569E-12 -12.3319 0.69513E+00 -0.1579 17 Pb++ 0.42081E-13 -13.3759 0.10701E-13 -13.9706 0.25430E+00 -0.5946 18 Hg++ 0.11363E-32 -32.9445 0.28741E-33 -33.5415 0.25293E+00 -0.5970 19 F- 0.23057E-03 -3.6372 0.15822E-03 -3.8007 0.68624E+00 -0.1635 21 HSiO3- 0.31608E-04 -4.5002 0.21967E-04 -4.6582 0.69497E+00 -0.1580 22 Ca(HSiO3)+ 0.10112E-06 -6.9952 0.70942E-07 -7.1491 0.70154E+00 -0.1539 23 Mg(HSiO3)+ 0.27187E-09 -9.5656 0.19073E-09 -9.7196 0.70154E+00 -0.1539 24 NaHSiO3,aq 0.69370E-05 -5.1588 0.69370E-05 -5.1588 0.10000E+01 0.0000 27 HAlO2,aq 0.88149E-08 -8.0548 0.88149E-08 -8.0548 0.10000E+01 0.0000 28 AlO2- 0.23169E-05 -5.6351 0.15932E-05 -5.7977 0.68762E+00 -0.1627 29 CH4,aq 0.15418E-03 -3.8120 0.15202E-03 -3.8181 0.98598E+00 -0.0061 30 C2H6,aq 0.30087E-10 -10.5216 0.29665E-10 -10.5277 0.98598E+00 -0.0061 34 CO,aq 0.15542E-06 -6.8085 0.15542E-06 -6.8085 0.10000E+01 0.0000 35 CO2,aq 0.25373E-01 -1.5956 0.25018E-01 -1.6018 0.98598E+00 -0.0061 36 CO3-2 0.21797E-06 -6.6616 0.55713E-07 -7.2540 0.25559E+00 -0.5924 37 CaCO3,aq 0.61718E-06 -6.2096 0.61718E-06 -6.2096 0.10000E+01 0.0000 38 Ca(HCO3)+ 0.99794E-05 -5.0009 0.70010E-05 -5.1548 0.70154E+00 -0.1539 39 CaCl+ 0.10915E-04 -4.9620 0.76574E-05 -5.1159 0.70154E+00 -0.1539 40 CaCl2,aq 0.17629E-06 -6.7538 0.17629E-06 -6.7538 0.10000E+01 0.0000 41 CaF+ 0.85930E-06 -6.0659 0.60283E-06 -6.2198 0.70154E+00 -0.1539 42 CaOH+ 0.20899E-05 -5.6799 0.14662E-05 -5.8338 0.70154E+00 -0.1539 43 CaSO4,aq 0.30089E-09 -9.5216 0.30089E-09 -9.5216 0.10000E+01 0.0000 44 HCl,aq 0.18616E-07 -7.7301 0.18616E-07 -7.7301 0.10000E+01 0.0000 53 CuCl,aq 0.11047E-09 -9.9568 0.11047E-09 -9.9568 0.10000E+01 0.0000 54 CuCl2- 0.75475E-10 -10.1222 0.52453E-10 -10.2802 0.69497E+00 -0.1580 61 HF,aq 0.15191E-04 -4.8184 0.15191E-04 -4.8184 0.10000E+01 0.0000 62 HF2- 0.10200E-08 -8.9914 0.70889E-09 -9.1494 0.69497E+00 -0.1580 64 FeCl+ 0.49660E-10 -10.3040 0.34838E-10 -10.4579 0.70154E+00 -0.1539 69 FeO,aq 0.92678E-09 -9.0330 0.92678E-09 -9.0330 0.10000E+01 0.0000 70 FeOH+ 0.79443E-09 -9.0999 0.55733E-09 -9.2539 0.70154E+00 -0.1539 71 HFeO2- 0.19566E-09 -9.7085 0.13598E-09 -9.8665 0.69497E+00 -0.1580 74 FeO2- 0.18773E-09 -9.7265 0.13046E-09 -9.8845 0.69497E+00 -0.1580 75 HFeO2,aq 0.74484E-10 -10.1279 0.74484E-10 -10.1279 0.10000E+01 0.0000 76 H2,aq 0.14612E-03 -3.8353 0.14407E-03 -3.8414 0.98598E+00 -0.0061 77 Hg,aq 0.50233E-09 -9.2990 0.49528E-09 -9.3051 0.98598E+00 -0.0061 90 KCl,aq 0.41735E-04 -4.3795 0.41735E-04 -4.3795 0.10000E+01 0.0000 92 KOH,aq 0.35777E-06 -6.4464 0.35777E-06 -6.4464 0.10000E+01 0.0000 93 KSO4- 0.58132E-08 -8.2356 0.40400E-08 -8.3936 0.69497E+00 -0.1580 94 MgCO3,aq 0.26372E-09 -9.5789 0.26372E-09 -9.5789 0.10000E+01 0.0000 95 Mg(HCO3)+ 0.35855E-07 -7.4455 0.25154E-07 -7.5994 0.70154E+00 -0.1539 96 MgCl+ 0.20170E-07 -7.6953 0.14150E-07 -7.8492 0.70154E+00 -0.1539 97 MgF+ 0.92125E-08 -8.0356 0.64630E-08 -8.1896 0.70154E+00 -0.1539 98 MgOH+ 0.25772E-07 -7.5889 0.18080E-07 -7.7428 0.70154E+00 -0.1539 101 MnO,aq 0.32916E-10 -10.4826 0.32916E-10 -10.4826 0.10000E+01 0.0000 102 MnOH+ 0.14681E-09 -9.8332 0.10300E-09 -9.9872 0.70154E+00 -0.1539 107 MnCl+ 0.13151E-08 -8.8810 0.92260E-09 -9.0350 0.70154E+00 -0.1539 109 NaCl,aq 0.16955E-02 -2.7707 0.16955E-02 -2.7707 0.10000E+01 0.0000 110 NaF,aq 0.10573E-04 -4.9758 0.10573E-04 -4.9758 0.10000E+01 0.0000 111 NaOH,aq 0.17054E-05 -5.7682 0.17054E-05 -5.7682 0.10000E+01 0.0000 113 OH- 0.39475E-04 -4.4037 0.27143E-04 -4.5663 0.68762E+00 -0.1627 124 Pb(HS)2,aq 0.11350E-07 -7.9450 0.11350E-07 -7.9450 0.10000E+01 0.0000 125 Pb(HS)3- 0.24409E-09 -9.6124 0.16964E-09 -9.7705 0.69497E+00 -0.1580 126 H2S,aq 0.18265E-02 -2.7384 0.18009E-02 -2.7445 0.98598E+00 -0.0061 127 S2-2 0.12893E-09 -9.8897 0.32953E-10 -10.4821 0.25559E+00 -0.5924 134 HSO3- 0.23377E-10 -10.6312 0.16246E-10 -10.7892 0.69497E+00 -0.1580 135 HSO4- 0.42068E-09 -9.3761 0.29603E-09 -9.5287 0.70371E+00 -0.1526 154 ZnOH+ 0.64302E-10 -10.1918 0.45111E-10 -10.3457 0.70154E+00 -0.1539 158 AlF2+ 0.35089E-10 -10.4548 0.24616E-10 -10.6088 0.70154E+00 -0.1539 159 AlF3,aq 0.32329E-08 -8.4904 0.32329E-08 -8.4904 0.10000E+01 0.0000 160 AlF4- 0.52178E-08 -8.2825 0.36262E-08 -8.4405 0.69497E+00 -0.1580 161 AlF5-- 0.96419E-10 -10.0158 0.24644E-10 -10.6083 0.25559E+00 -0.5924 164 Cu(HS)2- 0.65581E-07 -7.1832 0.45577E-07 -7.3413 0.69497E+00 -0.1580 165 CuH4S3-a 0.13138E-10 -10.8815 0.91302E-11 -11.0395 0.69497E+00 -0.1580 166 CuH4S3-b 0.46745E-10 -10.3303 0.32486E-10 -10.4883 0.69497E+00 -0.1580 180 MnCl2,aq 0.10888E-08 -8.9630 0.10888E-08 -8.9630 0.10000E+01 0.0000 181 MnCl3- 0.16342E-09 -9.7867 0.11357E-09 -9.9447 0.69497E+00 -0.1580 182 MnCO3,aq 0.20587E-10 -10.6864 0.20587E-10 -10.6864 0.10000E+01 0.0000 183 NaCO3- 0.92915E-07 -7.0319 0.64573E-07 -7.1899 0.69497E+00 -0.1580 184 NaHCO3,aq 0.79348E-04 -4.1005 0.79348E-04 -4.1005 0.10000E+01 0.0000 185 NaHS,aq 0.19401E-04 -4.7122 0.19401E-04 -4.7122 0.10000E+01 0.0000 186 NaSO4- 0.81278E-08 -8.0900 0.56486E-08 -8.2481 0.69497E+00 -0.1580 187 PbCO3,aq 0.52554E-10 -10.2794 0.52554E-10 -10.2794 0.10000E+01 0.0000 188 PbOH+ 0.38684E-10 -10.4125 0.27139E-10 -10.5664 0.70154E+00 -0.1539 189 PbH4S3,aq 0.19641E-10 -10.7068 0.19641E-10 -10.7068 0.10000E+01 0.0000 193 Zn(HS)2,aq 0.15863E-07 -7.7996 0.15863E-07 -7.7996 0.10000E+01 0.0000 194 Zn(HS)3- 0.20686E-09 -9.6843 0.14376E-09 -9.8424 0.69497E+00 -0.1580 Charge balance for all species = 0.2535E-07 Component Molality Aq.molality ppm log[A(N)/A(H+)**Z] (total) 1 H+ 0.3489905E-06 0.2708649E-01 0.2719123E+02 0.0000 2 H2O 0.1000000E+01 0.5548319E+02 0.9955068E+06 0.0000 3 Cl- 0.3067236E-01 0.3242092E-01 0.1144774E+04 4.9372 4 SO4-- 0.1584192E-07 -.1907173E-03 -.1824657E+02 4.8278 5 HCO3- 0.1936233E-02 0.2755425E-01 0.1674488E+04 3.7403 6 HS- 0.4762534E-03 0.2513078E-02 0.8277662E+02 3.1286 7 H4SiO4 0.7346874E-02 0.7385520E-02 0.7069935E+03 -2.1339 8 Al+++ 0.2576148E-21 0.2334335E-05 0.6272933E-01 -3.0987 9 Ca++ 0.1284706E-04 0.3758569E-04 0.1500272E+01 7.7262 10 Mg++ 0.5288724E-07 0.1444349E-06 0.3497311E-02 5.3325 11 Fe++ 0.9374358E-10 0.2334348E-08 0.1298395E-03 2.5832 12 K+ 0.3879313E-02 0.3921412E-02 0.1527154E+03 4.0429 13 Na+ 0.2945999E-01 0.3127357E-01 0.7160675E+03 4.9199 14 Mn++ 0.1145754E-09 0.2887022E-08 0.1579662E-03 2.6718 15 Zn++ 0.5073647E-14 0.1614705E-07 0.1051267E-02 -1.6835 16 Cu+ 0.6699282E-12 0.6582731E-07 0.4165764E-02 -5.7234 17 Pb++ 0.4208138E-13 0.1171453E-07 0.2417324E-02 -0.7536 18 Hg++ 0.1136314E-32 0.5054436E-09 0.1009772E-03 -20.3245 19 F- 0.2305681E-03 0.2572341E-03 0.4867184E+01 2.8078 Component Tot moles Aq. moles Solid moles Gas moles 1 H+ 0.1822172E+00 0.2566557E-01 -.3344082E-06 0.1565520E+00 2 H2O 0.5550825E+02 0.5257262E+02 -.1714269E-02 0.2937353E+01 3 Cl- 0.3072017E-01 0.3072017E-01 0.0000000E+00 0.1751430E-08 4 SO4-- -.4257700E-02 -.1807126E-03 0.0000000E+00 -.4076987E-02 5 HCO3- 0.1832100E+00 0.2610879E-01 0.0000000E+00 0.1571012E+00 6 HS- 0.9985820E-02 0.2381245E-02 0.0000000E+00 0.7604575E-02 7 H4SiO4 0.7855346E-02 0.6998086E-02 0.8572597E-03 0.0000000E+00 8 Al+++ 0.2253680E-05 0.2211879E-05 0.4180102E-07 0.0000000E+00 9 Ca++ 0.3561400E-04 0.3561400E-04 0.0000000E+00 0.0000000E+00 10 Mg++ 0.2355503E-06 0.1368581E-06 0.9869221E-07 0.0000000E+00 11 Fe++ 0.8017372E-08 0.2211891E-08 0.5805481E-08 0.0000000E+00 12 K+ 0.3715700E-02 0.3715700E-02 0.0000000E+00 0.0000000E+00 13 Na+ 0.2963300E-01 0.2963300E-01 0.0000000E+00 0.0000000E+00 14 Mn++ 0.2740424E-08 0.2735573E-08 0.4851174E-11 0.0000000E+00 15 Zn++ 0.1530000E-07 0.1530000E-07 0.0000000E+00 0.0000000E+00 16 Cu+ 0.6237410E-07 0.6237410E-07 0.0000000E+00 0.0000000E+00 17 Pb++ 0.1110000E-07 0.1110000E-07 0.0000000E+00 0.0000000E+00 18 Hg++ 0.4000000E-08 0.4789287E-09 0.0000000E+00 0.3521071E-08 19 F- 0.2439100E-03 0.2437400E-03 0.0000000E+00 0.1700216E-06 Chg. balance for solid moles: -.1668E-16 Mass of aqueous solution: 0.951386E+03 g Temperature = 262.00 C Pressure = 50.41 bar Mixer frac. = 0.0000000 Log Log Vol Gas or mineral Moles Moles Grams Grams Wt.% (cm3) H2O,gas 3.085 0.489 55.55 1.745 88.88 2154. CO2,gas 0.1539 -0.813 6.771 0.831 10.83 145.7 CH4,gas 0.3242E-02 -2.489 0.5200E-01 -1.284 0.8320E-01 3.423 H2,gas 0.3336E-02 -2.477 0.6740E-02 -2.171 0.1078E-01 3.000 H2S,gas 0.3528E-02 -2.453 0.1202 -0.920 0.1923 2.917 CO,gas 0.2721E-05 -5.565 0.7622E-04 -4.118 0.1219E-03 0.2402E-02 SO2,gas 0.3377E-12 -12.471 0.2164E-10 -10.665 0.3462E-10 0.2981E-09 HF,gas 0.1700E-06 -6.769 0.3400E-05 -5.468 0.5440E-05 0.1501E-03 HCl,gas 0.1751E-08 -8.757 0.6386E-07 -7.195 0.1022E-06 0.1546E-05 Hg,gas 0.3521E-08 -8.453 0.7063E-06 -6.151 0.1130E-05 0.3108E-05 clinochlore 0.1974E-07 -7.705 0.1097E-04 -4.960 0.2130E-01 0.4173E-05 daphnite 0.1161E-08 -8.935 0.8285E-06 -6.082 0.1608E-02 0.2510E-06 chlorite-Mn 0.9702E-12 -12.013 0.6879E-09 -9.162 0.1335E-05 0.2192E-09 quartz 0.8572E-03 -3.067 0.5150E-01 -1.288 99.98 0.1945E-01 Partial press. Fugacity coef Log fugacity Gas or Mineral Mole fraction or activity Activity coef Log activity H2O,gas 0.9495E+00 0.4786E+02 0.8349 1.602 CO2,gas 0.4736E-01 0.2387E+01 0.9834 0.371 CH4,gas 0.9980E-03 0.5031E-01 1.1621 -1.233 H2,gas 0.1027E-02 0.5177E-01 1.0188 -1.278 H2S,gas 0.1086E-02 0.5473E-01 0.9364 -1.290 CO,gas 0.8377E-06 0.4222E-04 1.0000 -4.374 SO2,gas 0.1040E-12 0.5240E-11 1.0000 -11.281 HF,gas 0.5234E-07 0.2638E-05 1.0000 -5.579 HCl,gas 0.5391E-09 0.2718E-07 1.0000 -7.566 Hg,gas 0.1084E-08 0.5463E-07 1.0000 -7.263 clinochlore 0.9444E+00 0.9444E+00 1.0000 -0.025 daphnite 0.5555E-01 0.5555E-01 1.0000 -1.255 chlorite-Mn 0.4642E-04 0.4642E-04 1.0000 -4.333 quartz 0.1000E+01 0.1000E+01 1.0000 0.000 Current weight percent of gas: 6.164503 % Solid products produced: Mass = 0.051512 g Volume = 0.019453 cm3 WARNING: mineral volume may be in error because some mineral densities were not supplied in SOLTHERM. See mineral list in file Skip_Species.txt. NON-Ideal mixing with H2O, CO2, CH4 Gases ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ The following gases and minerals are presently in matrix or were just added Gas or Mineral Log K Log Q Log(Q/K) Log(Q/K)/S Affinity Log Fugacity 1 H2O,gas 0.10 0.10 -0.00 -0.000 0.63542E-09 2 CO2,gas -8.14 -8.14 0.00 0.000 -0.22619E-09 3 CH4,gas 4.98 4.98 0.00 0.000 -0.60898E-09 4 H2,gas 5.86 5.86 0.00 0.000 -0.56548E-10 5 H2S,gas -7.10 -7.10 -0.00 -0.000 0.19574E-09 6 CO,gas -0.52 -0.52 -0.00 -0.000 0.27187E-11 7 SO2,gas -5.74 -5.74 0.00 0.000 -0.65248E-11 8 HF,gas -3.13 -3.13 -0.00 -0.000 0.21749E-11 9 HCl,gas 0.99 0.99 -0.00 -0.000 0.21749E-11 10 Hg,gas -8.48 -8.48 -0.00 -0.000 0.86997E-11 43 clinochlore 14.19 14.19 0.00 0.000 -0.30449E-10 44 daphnite 6.59 6.59 0.00 0.000 -0.13050E-10 45 chlorite-Mn 22.43 22.43 0.00 0.000 0.00000E+00 146 quartz -2.13 -2.13 0.00 0.000 0.00000E+00 The following gases and minerals are presently EXCLUDED from matrix (Gases and minerals with log(Q/K) less than -5 are not listed below) Gas or Mineral Log K Log Q Log(Q/K) Log(Q/K)/S Affinity Log Fugacity 11 acmite 4.75 1.80 -2.95 -0.307 0.72301E+04 15 albite-high -3.52 -4.58 -1.06 -0.082 0.26002E+04 16 albite -4.00 -4.58 -0.58 -0.044 0.14153E+04 20 analcite -1.12 -2.45 -1.32 -0.147 0.32413E+04 21 andalusite -5.50 -8.33 -2.83 -0.283 0.69255E+04 22 andradite 22.39 19.06 -3.33 -0.173 0.81477E+04 23 grossular 12.74 10.58 -2.16 -0.108 0.52923E+04 25 ankerite -6.41 -8.64 -2.24 -0.373 0.54769E+04 26 annite 6.70 2.29 -4.41 -0.245 0.10789E+05 27 phlogopite 11.90 10.54 -1.36 -0.076 0.33285E+04 29 anorthite -1.16 -2.74 -1.58 -0.122 0.38681E+04 32 aragonite -1.34 -1.75 -0.41 -0.136 0.99694E+03 33 brucite 8.02 5.33 -2.68 -0.537 0.65748E+04 34 calcite -1.49 -1.75 -0.26 -0.085 0.62677E+03 35 carnegieite-low 2.74 -0.31 -3.05 -0.436 0.74667E+04 36 carnegieite-high 3.24 -0.31 -3.55 -0.507 0.86982E+04 37 carpholite-Mg -2.82 -5.13 -2.32 -0.155 0.56751E+04 38 carpholite-Fe -4.23 -7.88 -3.65 -0.243 0.89380E+04 39 celadonite -0.01 -2.26 -2.25 -0.132 0.55008E+04 40 celadonite-Fe -1.29 -5.01 -3.72 -0.219 0.91081E+04 41 chrysotile 13.87 11.73 -2.14 -0.178 0.52339E+04 46 chlorite-Al-free 27.47 23.46 -4.01 -0.167 0.98271E+04 47 chloritoid-Mg -0.28 -3.00 -2.72 -0.181 0.66490E+04 48 chloritoid-Fe -3.03 -5.75 -2.72 -0.181 0.66592E+04 49 chloritoid-Mn -0.82 -5.66 -4.84 -0.323 0.11851E+05 51 coesite -1.68 -2.13 -0.45 -0.150 0.11038E+04 56 corundum -3.09 -6.20 -3.11 -0.283 0.76106E+04 58 cristobalite -1.93 -2.13 -0.20 -0.067 0.49363E+03 61 cymrite-K -1.97 -5.46 -3.48 -0.290 0.85300E+04 63 diaspore -1.91 -3.10 -1.19 -0.199 0.29172E+04 64 diamond -1.81 -3.72 -1.90 -0.544 0.46606E+04 65 diopside 9.25 8.79 -0.46 -0.046 0.11271E+04 66 hedenbergite 7.74 6.04 -1.69 -0.169 0.41480E+04 67 dolomite,ordered -4.41 -5.89 -1.49 -0.248 0.36463E+04 68 eastonite 5.35 1.14 -4.21 -0.162 0.10313E+05 69 enstatite 9.04 6.40 -2.65 -0.265 0.64795E+04 70 clinoenstatite-HiP 9.82 6.40 -3.42 -0.342 0.83707E+04 71 clinoenstatite 8.98 6.40 -2.58 -0.258 0.63245E+04 72 protoenstatite 9.36 6.40 -2.96 -0.296 0.72598E+04 73 epidote 5.77 4.00 -1.78 -0.086 0.43534E+04 74 clinozoisite 1.64 -0.25 -1.89 -0.086 0.46271E+04 75 epidote-Fe 12.28 8.24 -4.04 -0.210 0.99038E+04 76 fayalite 6.64 3.03 -3.61 -0.516 0.88436E+04 77 ferrosilite 4.62 0.90 -3.72 -0.372 0.91194E+04 78 forsterite 11.66 8.53 -3.13 -0.448 0.76713E+04 81 gibbsite -0.53 -3.10 -2.57 -0.367 0.62953E+04 82 glaucophane 6.17 2.57 -3.60 -0.097 0.88208E+04 84 goethite 3.21 1.14 -2.07 -0.447 0.50604E+04 85 graphite -2.19 -3.72 -1.53 -0.436 0.37407E+04 86 greenalite 8.15 3.48 -4.66 -0.389 0.11421E+05 88 halite 0.84 -3.36 -4.20 -2.098 0.10274E+05 89 hematite 5.49 2.29 -3.20 -0.388 0.78426E+04 90 heulandite -12.51 -13.41 -0.89 -0.041 0.21874E+04 94 jadeite -0.24 -2.45 -2.20 -0.220 0.53934E+04 96 kalsilite 1.92 -1.19 -3.11 -0.445 0.76217E+04 97 kaolinite -8.25 -10.47 -2.22 -0.201 0.54273E+04 98 kyanite -5.44 -8.33 -2.89 -0.289 0.70749E+04 100 laumontite -5.80 -7.01 -1.20 -0.080 0.29462E+04 101 lawsonite -1.06 -2.74 -1.67 -0.112 0.41011E+04 102 leucite -0.84 -3.32 -2.49 -0.249 0.60860E+04 104 lizardite 13.63 11.73 -1.90 -0.158 0.46475E+04 105 magnesite -2.28 -4.14 -1.87 -0.622 0.45695E+04 106 magnetite 9.12 4.87 -4.25 -0.347 0.10405E+05 107 minnesotaite 3.34 -0.79 -4.13 -0.243 0.10102E+05 108 minnesotaite-Mg 10.78 7.46 -3.31 -0.195 0.81116E+04 112 margarite -5.73 -8.94 -3.21 -0.128 0.78507E+04 115 microcline -5.11 -5.46 -0.35 -0.027 0.84971E+03 116 monticellite 14.87 10.92 -3.95 -0.564 0.96700E+04 118 mullite-Si -4.06 -8.33 -4.27 -0.427 0.10450E+05 119 muscovite -9.63 -11.65 -2.02 -0.119 0.49552E+04 120 paragonite -8.69 -10.78 -2.08 -0.123 0.51027E+04 121 nepheline 2.23 -0.31 -2.54 -0.363 0.62228E+04 126 periclase 9.79 5.33 -4.45 -1.114 0.10907E+05 127 periclase-Fe 6.50 2.58 -3.91 -0.978 0.95828E+04 133 phlogopite-Na 13.36 11.42 -1.94 -0.108 0.47557E+04 135 prehnite 4.05 2.85 -1.20 -0.071 0.29393E+04 136 prehnite-Fe 8.92 7.10 -1.83 -0.110 0.44753E+04 137 pumpellyite-Fe 9.45 5.19 -4.26 -0.095 0.10443E+05 138 pumpellyite-Mg 11.42 7.94 -3.48 -0.077 0.85278E+04 140 px-Ca-tschermaks 3.39 -0.61 -4.00 -0.286 0.97915E+04 141 pyrite -19.66 -20.47 -0.81 -0.191 0.19877E+04 142 pyrrhotite -6.08 -7.51 -1.43 -0.476 0.34936E+04 143 pyrrhotiteFe0.875 -7.19 -8.19 -0.99 -0.365 0.24270E+04 144 pyroxmangite 4.20 0.54 -3.66 -0.732 0.89656E+04 145 pyrophyllite -12.47 -14.73 -2.26 -0.142 0.55459E+04 149 ringwoodite-Fe 7.83 3.03 -4.80 -0.685 0.11746E+05 151 rhodochrosite -2.88 -6.80 -3.92 -1.308 0.96083E+04 152 rhodonite 4.21 0.54 -3.67 -0.735 0.89985E+04 153 sanidine -4.27 -5.46 -1.19 -0.092 0.29156E+04 155 siderite -4.64 -6.89 -2.26 -0.752 0.55226E+04 156 sillimanite -5.36 -8.33 -2.97 -0.297 0.72675E+04 158 spinel 4.09 -0.87 -4.96 -0.330 0.12134E+05 163 stilbite -11.25 -13.41 -2.16 -0.103 0.52811E+04 165 stilpnomelane-Mg 6.44 5.42 -1.03 -0.031 0.25114E+04 166 stishovite 2.12 -2.13 -4.25 -1.416 0.10406E+05 168 sudoite -3.39 -8.13 -4.74 -0.153 0.11618E+05 169 sulfur -8.85 -12.97 -4.11 -1.266 0.10076E+05 171 talc 7.99 7.46 -0.52 -0.031 0.12806E+04 173 talc-tschermaks 2.14 -1.93 -4.07 -0.240 0.99704E+04 178 topaz-H -4.56 -8.33 -3.78 -0.343 0.92443E+04 179 tridymite -1.95 -2.13 -0.18 -0.060 0.43783E+03 180 tremolite 25.68 25.05 -0.63 -0.017 0.15537E+04 182 troilite-low -6.10 -7.51 -1.41 -0.470 0.34494E+04 183 tschermakite 10.91 6.25 -4.65 -0.126 0.11395E+05 186 wadsleyite-Fe 7.86 3.03 -4.83 -0.690 0.11828E+05 188 wairakite -6.30 -7.01 -0.71 -0.042 0.17385E+04 189 walstromite 7.38 5.59 -1.79 -0.358 0.43887E+04 190 wollastonite 6.67 5.59 -1.08 -0.215 0.26370E+04 191 pseudo-wollastonite 6.97 5.59 -1.38 -0.276 0.33741E+04 192 zoisite 1.67 -0.25 -1.92 -0.087 0.47023E+04 193 beidellite-Ca -10.94 -13.78 -2.84 -0.176 0.69523E+04 194 beidellite-H -11.23 -15.05 -3.82 -0.244 0.93531E+04 195 beidellite-K -10.28 -13.72 -3.43 -0.210 0.84075E+04 196 beidellite-Mg -11.18 -14.17 -2.99 -0.185 0.73178E+04 197 beidellite-Na -10.24 -13.43 -3.19 -0.195 0.78098E+04 198 bornite -67.29 -67.83 -0.54 -0.040 0.13152E+04 200 chalcedony -2.00 -2.13 -0.13 -0.044 0.31991E+03 201 chalcocite -19.89 -21.54 -1.65 -0.412 0.40339E+04 202 covellite -15.11 -17.25 -2.14 -0.814 0.52356E+04 204 montmorillonite-Ca -8.96 -10.67 -1.72 -0.106 0.42111E+04 205 montmorillonite-K -8.43 -10.62 -2.18 -0.134 0.53415E+04 206 montmorillonite-Mg -9.22 -11.07 -1.85 -0.114 0.45284E+04 207 montmorillonite-Na -8.29 -10.33 -2.03 -0.125 0.49822E+04 209 nontronite-Ca -1.86 -5.29 -3.43 -0.223 0.84021E+04 210 nontronite-H -2.16 -6.57 -4.41 -0.295 0.10790E+05 211 nontronite-K -1.21 -5.23 -4.02 -0.258 0.98548E+04 212 nontronite-Mg -2.10 -5.69 -3.58 -0.232 0.87749E+04 213 nontronite-Na -1.16 -4.94 -3.78 -0.243 0.92612E+04 215 topaz -24.56 -29.15 -4.59 -0.510 0.11249E+05 229 tobermorite 8.02 4.30 -3.72 -1.015 0.91115E+04 235 alabandite -3.36 -7.42 -4.05 -1.352 0.99295E+04 240 boehmite -1.09 -3.10 -2.01 -0.335 0.49170E+04 242 chalcopyrite -24.28 -24.76 -0.47 -0.088 0.11553E+04 245 copper,native -0.83 -4.28 -3.45 -1.201 0.84569E+04 246 dolomite,disordered -4.11 -5.89 -1.79 -0.298 0.43816E+04 247 ferrous-oxide 5.17 2.58 -2.59 -0.648 0.63424E+04 248 fluorite -11.79 -13.09 -1.30 -0.434 0.31855E+04 249 galena -10.08 -10.84 -0.77 -0.255 0.18752E+04 257 silica-amorphous -1.65 -2.13 -0.48 -0.161 0.11792E+04 260 sphalerite -10.20 -11.77 -1.58 -0.526 0.38605E+04 261 wurtzite -8.92 -11.77 -2.85 -0.950 0.69777E+04 263 an20ab80 -3.65 -4.21 -0.56 -0.043 0.13746E+04 264 an25ab75 -3.54 -4.12 -0.58 -0.045 0.14302E+04 265 an30ab70 -3.41 -4.03 -0.61 -0.047 0.15024E+04 266 tr.625ac.25prg.125 21.40 20.93 -0.48 -0.013 0.11661E+04 271 FeS-amorphous -4.23 -7.51 -3.27 -1.091 0.80152E+04 Calculations done for 262.0000 Deg. C; 50.4055 bar Enthalpies: Pure water 4.9252 kcal/mole H2O,gas 11.9618 kcal/mole CO2,gas 3.7267 kcal/mole CH4,gas 3.6750 kcal/mole Current solution 259.0476 Gas 37.4829 kcal Total current enthalpy 296.5306 kcal Starting enthalpy 296.5306 kcal Temperature changed by -2.000 degrees to 260.000 degrees C. Solids and gases carried ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ Test file for CHIM-XPT. Boil Broadlands Water Water similar to Broadlands Well No. 2 CHIMRUN demo-2a ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ Number of loops used = 15 Loop limit = 200 Temperature = 260.00 C Pressure = 48.58 bar Mixer fraction = 0.0000000 Total current enthalpy = 296.5306 KCAL Water: Moles liquid = 0.5228E+02 kg liquid = 0.9419E+00 Moles total = 0.5551E+02 kg total = 0.1000E+01 Activity = 0.9996 Stoichiometric ionic strength = .4739151E-01 Osmotic coef. = 0.8891 True ionic strength = .3365883E-01 Chg. balance for total moles = 0.2402E-07 Max. difference allowed = 0.3072E-05 Log Log Log Species(n) Molality Molality Activity Activity Gamma Gamma 1 H+ 0.32802E-06 -6.4841 0.23198E-06 -6.6345 0.70722E+00 -0.1504 2 H2O 0.99956E+00 -0.0002 0.99956E+00 -0.0002 3 Cl- 0.30908E-01 -1.5099 0.21526E-01 -1.6670 0.69646E+00 -0.1571 4 SO4-- 0.18836E-07 -7.7250 0.48910E-08 -8.3106 0.25966E+00 -0.5856 5 HCO3- 0.19400E-02 -2.7122 0.13601E-02 -2.8664 0.70110E+00 -0.1542 6 HS- 0.48406E-03 -3.3151 0.33736E-03 -3.4719 0.69695E+00 -0.1568 7 H4SiO4 0.72233E-02 -2.1413 0.72233E-02 -2.1413 0.10000E+01 0.0000 8 Al+++ 0.22886E-21 -21.6404 0.10767E-22 -22.9679 0.47046E-01 -1.3275 9 Ca++ 0.13346E-04 -4.8747 0.33819E-05 -5.4708 0.25340E+00 -0.5962 10 Mg++ 0.51009E-07 -7.2924 0.12686E-07 -7.8967 0.24870E+00 -0.6043 11 Fe++ 0.84770E-10 -10.0718 0.21180E-10 -10.6741 0.24985E+00 -0.6023 12 K+ 0.39041E-02 -2.4085 0.27423E-02 -2.5619 0.70240E+00 -0.1534 13 Na+ 0.29690E-01 -1.5274 0.20687E-01 -1.6843 0.69678E+00 -0.1569 14 Mn++ 0.12391E-09 -9.9069 0.31065E-10 -10.5077 0.25072E+00 -0.6008 15 Zn++ 0.54045E-14 -14.2672 0.13503E-14 -14.8696 0.24985E+00 -0.6023 16 Cu+ 0.60093E-12 -12.2212 0.41862E-12 -12.3782 0.69661E+00 -0.1570 17 Pb++ 0.43127E-13 -13.3653 0.11054E-13 -13.9565 0.25631E+00 -0.5912 18 Hg++ 0.86163E-33 -33.0647 0.21966E-33 -33.6583 0.25493E+00 -0.5936 19 F- 0.23384E-03 -3.6311 0.16083E-03 -3.7936 0.68777E+00 -0.1626 21 HSiO3- 0.33892E-04 -4.4699 0.23605E-04 -4.6270 0.69646E+00 -0.1571 22 Ca(HSiO3)+ 0.10646E-06 -6.9728 0.74843E-07 -7.1258 0.70300E+00 -0.1530 23 Mg(HSiO3)+ 0.26769E-09 -9.5724 0.18819E-09 -9.7254 0.70300E+00 -0.1530 24 NaHSiO3,aq 0.73611E-05 -5.1331 0.73611E-05 -5.1331 0.10000E+01 0.0000 27 HAlO2,aq 0.85073E-08 -8.0702 0.85073E-08 -8.0702 0.10000E+01 0.0000 28 AlO2- 0.23310E-05 -5.6325 0.16064E-05 -5.7941 0.68914E+00 -0.1617 29 CH4,aq 0.13018E-03 -3.8854 0.12840E-03 -3.8914 0.98629E+00 -0.0060 30 C2H6,aq 0.21926E-10 -10.6590 0.21626E-10 -10.6650 0.98629E+00 -0.0060 34 CO,aq 0.12683E-06 -6.8968 0.12683E-06 -6.8968 0.10000E+01 0.0000 35 CO2,aq 0.22460E-01 -1.6486 0.22152E-01 -1.6546 0.98629E+00 -0.0060 36 CO3-2 0.24215E-06 -6.6159 0.62379E-07 -7.2050 0.25761E+00 -0.5890 37 CaCO3,aq 0.65457E-06 -6.1840 0.65457E-06 -6.1840 0.10000E+01 0.0000 38 Ca(HCO3)+ 0.97664E-05 -5.0103 0.68658E-05 -5.1633 0.70300E+00 -0.1530 39 CaCl+ 0.10748E-04 -4.9687 0.75559E-05 -5.1217 0.70300E+00 -0.1530 40 CaCl2,aq 0.16868E-06 -6.7729 0.16868E-06 -6.7729 0.10000E+01 0.0000 41 CaF+ 0.84919E-06 -6.0710 0.59698E-06 -6.2240 0.70300E+00 -0.1530 42 CaOH+ 0.21707E-05 -5.6634 0.15260E-05 -5.8164 0.70300E+00 -0.1530 43 CaSO4,aq 0.34667E-09 -9.4601 0.34667E-09 -9.4601 0.10000E+01 0.0000 44 HCl,aq 0.16617E-07 -7.7795 0.16617E-07 -7.7795 0.10000E+01 0.0000 53 CuCl,aq 0.97631E-10 -10.0104 0.97631E-10 -10.0104 0.10000E+01 0.0000 54 CuCl2- 0.66807E-10 -10.1752 0.46528E-10 -10.3323 0.69646E+00 -0.1571 61 HF,aq 0.13694E-04 -4.8635 0.13694E-04 -4.8635 0.10000E+01 0.0000 62 HF2- 0.93558E-09 -9.0289 0.65159E-09 -9.1860 0.69646E+00 -0.1571 64 FeCl+ 0.42767E-10 -10.3689 0.30065E-10 -10.5219 0.70300E+00 -0.1530 69 FeO,aq 0.85979E-09 -9.0656 0.85979E-09 -9.0656 0.10000E+01 0.0000 70 FeOH+ 0.73056E-09 -9.1363 0.51358E-09 -9.2894 0.70300E+00 -0.1530 71 HFeO2- 0.19394E-09 -9.7123 0.13507E-09 -9.8694 0.69646E+00 -0.1571 74 FeO2- 0.18588E-09 -9.7308 0.12946E-09 -9.8879 0.69646E+00 -0.1571 75 HFeO2,aq 0.71230E-10 -10.1473 0.71230E-10 -10.1473 0.10000E+01 0.0000 76 H2,aq 0.13481E-03 -3.8703 0.13296E-03 -3.8763 0.98629E+00 -0.0060 77 Hg,aq 0.43776E-09 -9.3588 0.43176E-09 -9.3648 0.98629E+00 -0.0060 90 KCl,aq 0.40313E-04 -4.3946 0.40313E-04 -4.3946 0.10000E+01 0.0000 92 KOH,aq 0.37176E-06 -6.4297 0.37176E-06 -6.4297 0.10000E+01 0.0000 93 KSO4- 0.66279E-08 -8.1786 0.46160E-08 -8.3357 0.69646E+00 -0.1571 94 MgCO3,aq 0.26184E-09 -9.5820 0.26184E-09 -9.5820 0.10000E+01 0.0000 95 Mg(HCO3)+ 0.32684E-07 -7.4857 0.22977E-07 -7.6387 0.70300E+00 -0.1530 96 MgCl+ 0.18582E-07 -7.7309 0.13063E-07 -7.8840 0.70300E+00 -0.1530 97 MgF+ 0.84833E-08 -8.0714 0.59637E-08 -8.2245 0.70300E+00 -0.1530 98 MgOH+ 0.24921E-07 -7.6034 0.17519E-07 -7.7565 0.70300E+00 -0.1530 101 MnO,aq 0.36611E-10 -10.4364 0.36611E-10 -10.4364 0.10000E+01 0.0000 102 MnOH+ 0.16097E-09 -9.7932 0.11316E-09 -9.9463 0.70300E+00 -0.1530 107 MnCl+ 0.13318E-08 -8.8756 0.93627E-09 -9.0286 0.70300E+00 -0.1530 109 NaCl,aq 0.16548E-02 -2.7812 0.16548E-02 -2.7812 0.10000E+01 0.0000 110 NaF,aq 0.10361E-04 -4.9846 0.10361E-04 -4.9846 0.10000E+01 0.0000 111 NaOH,aq 0.17790E-05 -5.7498 0.17790E-05 -5.7498 0.10000E+01 0.0000 113 OH- 0.42042E-04 -4.3763 0.28973E-04 -4.5380 0.68914E+00 -0.1617 124 Pb(HS)2,aq 0.11410E-07 -7.9427 0.11410E-07 -7.9427 0.10000E+01 0.0000 125 Pb(HS)3- 0.24302E-09 -9.6144 0.16925E-09 -9.7715 0.69646E+00 -0.1571 126 H2S,aq 0.16638E-02 -2.7789 0.16410E-02 -2.7849 0.98629E+00 -0.0060 127 S2-2 0.13295E-09 -9.8763 0.34248E-10 -10.4654 0.25761E+00 -0.5890 134 HSO3- 0.23184E-10 -10.6348 0.16147E-10 -10.7919 0.69646E+00 -0.1571 135 HSO4- 0.43729E-09 -9.3592 0.30835E-09 -9.5109 0.70516E+00 -0.1517 154 ZnOH+ 0.68405E-10 -10.1649 0.48089E-10 -10.3180 0.70300E+00 -0.1530 158 AlF2+ 0.22986E-10 -10.6385 0.16159E-10 -10.7916 0.70300E+00 -0.1530 159 AlF3,aq 0.19587E-08 -8.7080 0.19587E-08 -8.7080 0.10000E+01 0.0000 160 AlF4- 0.29939E-08 -8.5238 0.20852E-08 -8.6809 0.69646E+00 -0.1571 161 AlF5-- 0.55378E-10 -10.2567 0.14266E-10 -10.8457 0.25761E+00 -0.5890 164 Cu(HS)2- 0.65997E-07 -7.1805 0.45964E-07 -7.3376 0.69646E+00 -0.1571 165 CuH4S3-a 0.11279E-10 -10.9477 0.78554E-11 -11.1048 0.69646E+00 -0.1571 166 CuH4S3-b 0.47498E-10 -10.3233 0.33080E-10 -10.4804 0.69646E+00 -0.1571 180 MnCl2,aq 0.10583E-08 -8.9754 0.10583E-08 -8.9754 0.10000E+01 0.0000 181 MnCl3- 0.16169E-09 -9.7913 0.11261E-09 -9.9484 0.69646E+00 -0.1571 182 MnCO3,aq 0.24888E-10 -10.6040 0.24888E-10 -10.6040 0.10000E+01 0.0000 183 NaCO3- 0.10788E-06 -6.9671 0.75132E-07 -7.1242 0.69646E+00 -0.1571 184 NaHCO3,aq 0.76715E-04 -4.1151 0.76715E-04 -4.1151 0.10000E+01 0.0000 185 NaHS,aq 0.19029E-04 -4.7206 0.19029E-04 -4.7206 0.10000E+01 0.0000 186 NaSO4- 0.93543E-08 -8.0290 0.65148E-08 -8.1861 0.69646E+00 -0.1571 187 PbCO3,aq 0.62869E-10 -10.2016 0.62869E-10 -10.2016 0.10000E+01 0.0000 188 PbOH+ 0.40862E-10 -10.3887 0.28726E-10 -10.5417 0.70300E+00 -0.1530 189 PbH4S3,aq 0.17785E-10 -10.7499 0.17785E-10 -10.7499 0.10000E+01 0.0000 193 Zn(HS)2,aq 0.15946E-07 -7.7974 0.15946E-07 -7.7974 0.10000E+01 0.0000 194 Zn(HS)3- 0.21669E-09 -9.6642 0.15092E-09 -9.8213 0.69646E+00 -0.1571 Charge balance for all species = 0.2550E-07 Component Molality Aq.molality ppm log[A(N)/A(H+)**Z] (total) 1 H+ 0.3280192E-06 0.2400633E-01 0.2410236E+02 0.0000 2 H2O 0.1000000E+01 0.5548606E+02 0.9956907E+06 0.0000 3 Cl- 0.3090832E-01 0.3261460E-01 0.1151765E+04 4.9675 4 SO4-- 0.1883611E-07 -.1638830E-03 -.1568133E+02 4.9585 5 HCO3- 0.1939961E-02 0.2461797E-01 0.1496248E+04 3.7681 6 HS- 0.4840552E-03 0.2331018E-02 0.7679007E+02 3.1626 7 H4SiO4 0.7223346E-02 0.7264707E-02 0.6955207E+03 -2.1413 8 Al+++ 0.2288615E-21 0.2344577E-05 0.6301292E-01 -3.0643 9 Ca++ 0.1334581E-04 0.3781022E-04 0.1509435E+01 7.7982 10 Mg++ 0.5100899E-07 0.1362116E-06 0.3298631E-02 5.3724 11 Fe++ 0.8477038E-10 0.2178875E-08 0.1212080E-03 2.5950 12 K+ 0.3904146E-02 0.3944837E-02 0.1536481E+03 4.0727 13 Na+ 0.2969019E-01 0.3146039E-01 0.7204408E+03 4.9503 14 Mn++ 0.1239053E-09 0.2903135E-08 0.1588690E-03 2.7614 15 Zn++ 0.5404531E-14 0.1624351E-07 0.1057688E-02 -1.6005 16 Cu+ 0.6009335E-12 0.6622054E-07 0.4191206E-02 -5.7436 17 Pb++ 0.4312671E-13 0.1178451E-07 0.2432088E-02 -0.6874 18 Hg++ 0.8616270E-33 0.4402317E-09 0.8796089E-04 -20.3892 19 F- 0.2338399E-03 0.2587724E-03 0.4896941E+01 2.8409 Component Tot moles Aq. moles Solid moles Gas moles 1 H+ 0.1822172E+00 0.2261192E-01 -.3623091E-06 0.1596057E+00 2 H2O 0.5550825E+02 0.5226314E+02 -.2024953E-02 0.3247142E+01 3 Cl- 0.3072017E-01 0.3072017E-01 0.0000000E+00 0.1703380E-08 4 SO4-- -.4257700E-02 -.1543638E-03 0.0000000E+00 -.4103336E-02 5 HCO3- 0.1832100E+00 0.2318803E-01 0.0000000E+00 0.1600220E+00 6 HS- 0.9985820E-02 0.2195620E-02 0.0000000E+00 0.7790200E-02 7 H4SiO4 0.7855346E-02 0.6842734E-02 0.1012612E-02 0.0000000E+00 8 Al+++ 0.2253680E-05 0.2208391E-05 0.4528864E-07 0.0000000E+00 9 Ca++ 0.3561400E-04 0.3561400E-04 0.0000000E+00 0.0000000E+00 10 Mg++ 0.2355503E-06 0.1282997E-06 0.1072506E-06 0.0000000E+00 11 Fe++ 0.8017372E-08 0.2052314E-08 0.5965058E-08 0.0000000E+00 12 K+ 0.3715700E-02 0.3715700E-02 0.0000000E+00 0.0000000E+00 13 Na+ 0.2963300E-01 0.2963300E-01 0.0000000E+00 0.0000000E+00 14 Mn++ 0.2740424E-08 0.2734505E-08 0.5918479E-11 0.0000000E+00 15 Zn++ 0.1530000E-07 0.1530000E-07 0.0000000E+00 0.0000000E+00 16 Cu+ 0.6237410E-07 0.6237410E-07 0.0000000E+00 0.0000000E+00 17 Pb++ 0.1110000E-07 0.1110000E-07 0.0000000E+00 0.0000000E+00 18 Hg++ 0.4000000E-08 0.4146607E-09 0.0000000E+00 0.3585339E-08 19 F- 0.2439100E-03 0.2437415E-03 0.0000000E+00 0.1684624E-06 Chg. balance for solid moles: 0.1035E-16 Mass of aqueous solution: 0.945611E+03 g Temperature = 260.00 C Pressure = 48.58 bar Mixer frac. = 0.0000000 Log Log Vol Gas or mineral Moles Moles Grams Grams Wt.% (cm3) H2O,gas 3.397 0.531 61.18 1.787 89.62 2469. CO2,gas 0.1568 -0.805 6.901 0.839 10.11 153.2 CH4,gas 0.3208E-02 -2.494 0.5146E-01 -1.289 0.7537E-01 3.489 H2,gas 0.3579E-02 -2.446 0.7229E-02 -2.141 0.1059E-01 3.324 H2S,gas 0.3687E-02 -2.433 0.1256 -0.901 0.1840 3.156 CO,gas 0.2605E-05 -5.584 0.7297E-04 -4.137 0.1069E-03 0.2377E-02 SO2,gas 0.3337E-12 -12.477 0.2138E-10 -10.670 0.3131E-10 0.3045E-09 HF,gas 0.1685E-06 -6.773 0.3369E-05 -5.472 0.4935E-05 0.1537E-03 HCl,gas 0.1703E-08 -8.769 0.6211E-07 -7.207 0.9097E-07 0.1554E-05 Hg,gas 0.3585E-08 -8.445 0.7192E-06 -6.143 0.1053E-05 0.3272E-05 clinochlore 0.2145E-07 -7.669 0.1192E-04 -4.924 0.1959E-01 0.4535E-05 daphnite 0.1193E-08 -8.923 0.8512E-06 -6.070 0.1399E-02 0.2579E-06 chlorite-Mn 0.1184E-11 -11.927 0.8392E-09 -9.076 0.1379E-05 0.2674E-09 quartz 0.1013E-02 -2.995 0.6083E-01 -1.216 99.98 0.2297E-01 Partial press. Fugacity coef Log fugacity Gas or Mineral Mole fraction or activity Activity coef Log activity H2O,gas 0.9531E+00 0.4630E+02 0.8384 1.589 CO2,gas 0.4399E-01 0.2137E+01 0.9852 0.323 CH4,gas 0.9000E-03 0.4372E-01 1.1591 -1.295 H2,gas 0.1004E-02 0.4877E-01 1.0181 -1.304 H2S,gas 0.1034E-02 0.5024E-01 0.9378 -1.327 CO,gas 0.7309E-06 0.3550E-04 1.0000 -4.450 SO2,gas 0.9362E-13 0.4548E-11 1.0000 -11.342 HF,gas 0.4726E-07 0.2296E-05 1.0000 -5.639 HCl,gas 0.4779E-09 0.2321E-07 1.0000 -7.634 Hg,gas 0.1006E-08 0.4886E-07 1.0000 -7.311 clinochlore 0.9473E+00 0.9473E+00 1.0000 -0.024 daphnite 0.5268E-01 0.5268E-01 1.0000 -1.278 chlorite-Mn 0.5227E-04 0.5227E-04 1.0000 -4.282 quartz 0.1000E+01 0.1000E+01 1.0000 0.000 Current weight percent of gas: 6.733008 % Solid products produced: Mass = 0.060846 g Volume = 0.022978 cm3 WARNING: mineral volume may be in error because some mineral densities were not supplied in SOLTHERM. See mineral list in file Skip_Species.txt. NON-Ideal mixing with H2O, CO2, CH4 Gases ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ The following gases and minerals are presently in matrix or were just added Gas or Mineral Log K Log Q Log(Q/K) Log(Q/K)/S Affinity Log Fugacity 1 H2O,gas 0.10 0.10 -0.00 -0.000 0.22117E-08 2 CO2,gas -8.14 -8.14 0.00 0.000 -0.78872E-09 3 CH4,gas 4.95 4.95 0.00 0.000 -0.21235E-08 4 H2,gas 5.86 5.86 0.00 0.000 -0.19501E-09 5 H2S,gas -7.09 -7.09 -0.00 -0.000 0.66954E-09 6 CO,gas -0.50 -0.50 -0.00 -0.000 0.54170E-11 7 SO2,gas -5.68 -5.68 -0.00 -0.000 0.43336E-11 8 HF,gas -3.10 -3.10 -0.00 -0.000 0.32502E-11 9 HCl,gas 1.02 1.02 -0.00 -0.000 0.10834E-11 10 Hg,gas -8.52 -8.52 0.00 0.000 -0.86672E-11 43 clinochlore 14.43 14.43 0.00 0.000 -0.65004E-10 44 daphnite 6.81 6.81 0.00 0.000 -0.52003E-10 45 chlorite-Mn 22.66 22.66 0.00 0.000 -0.43336E-10 146 quartz -2.14 -2.14 0.00 0.000 0.00000E+00 The following gases and minerals are presently EXCLUDED from matrix (Gases and minerals with log(Q/K) less than -5 are not listed below) Gas or Mineral Log K Log Q Log(Q/K) Log(Q/K)/S Affinity Log Fugacity 11 acmite 4.78 1.83 -2.95 -0.306 0.71946E+04 15 albite-high -3.47 -4.54 -1.06 -0.082 0.25917E+04 16 albite -3.96 -4.54 -0.57 -0.044 0.13989E+04 20 analcite -1.08 -2.40 -1.32 -0.146 0.32153E+04 21 andalusite -5.40 -8.27 -2.87 -0.287 0.70084E+04 22 andradite 22.55 19.29 -3.26 -0.169 0.79562E+04 23 grossular 12.94 10.84 -2.10 -0.105 0.51145E+04 25 ankerite -6.34 -8.61 -2.26 -0.377 0.55250E+04 26 annite 6.83 2.37 -4.46 -0.248 0.10883E+05 27 phlogopite 12.05 10.70 -1.34 -0.075 0.32777E+04 29 anorthite -1.02 -2.61 -1.59 -0.122 0.38832E+04 32 aragonite -1.31 -1.70 -0.39 -0.131 0.95799E+03 33 brucite 8.06 5.37 -2.69 -0.537 0.65535E+04 34 calcite -1.46 -1.70 -0.24 -0.080 0.58883E+03 35 carnegieite-low 2.80 -0.26 -3.05 -0.436 0.74478E+04 36 carnegieite-high 3.31 -0.26 -3.56 -0.509 0.86864E+04 37 carpholite-Mg -2.70 -5.04 -2.34 -0.156 0.57043E+04 38 carpholite-Fe -4.12 -7.82 -3.70 -0.246 0.90153E+04 39 celadonite 0.04 -2.18 -2.23 -0.131 0.54355E+04 40 celadonite-Fe -1.23 -4.96 -3.73 -0.219 0.90951E+04 41 chrysotile 13.96 11.83 -2.13 -0.177 0.51854E+04 46 chlorite-Al-free 27.65 23.67 -3.99 -0.166 0.97235E+04 47 chloritoid-Mg -0.15 -2.90 -2.75 -0.183 0.67023E+04 48 chloritoid-Fe -2.91 -5.68 -2.77 -0.185 0.67549E+04 49 chloritoid-Mn -0.70 -5.51 -4.81 -0.321 0.11738E+05 51 coesite -1.69 -2.14 -0.45 -0.151 0.11034E+04 56 corundum -2.98 -6.13 -3.15 -0.287 0.76934E+04 58 cristobalite -1.94 -2.14 -0.20 -0.068 0.49631E+03 61 cymrite-K -1.94 -5.41 -3.48 -0.290 0.84894E+04 63 diaspore -1.86 -3.06 -1.21 -0.201 0.29401E+04 64 diamond -1.82 -3.76 -1.94 -0.555 0.47412E+04 65 diopside 9.32 8.89 -0.43 -0.043 0.10473E+04 66 hedenbergite 7.80 6.11 -1.69 -0.169 0.41168E+04 67 dolomite,ordered -4.34 -5.83 -1.49 -0.249 0.36462E+04 68 eastonite 5.58 1.34 -4.24 -0.163 0.10345E+05 69 enstatite 9.12 6.46 -2.66 -0.266 0.64840E+04 70 clinoenstatite-HiP 9.90 6.46 -3.43 -0.343 0.83748E+04 71 clinoenstatite 9.06 6.46 -2.59 -0.259 0.63289E+04 72 protoenstatite 9.44 6.46 -2.98 -0.298 0.72662E+04 73 epidote 5.96 4.20 -1.76 -0.085 0.42911E+04 74 clinozoisite 1.86 -0.02 -1.88 -0.085 0.45770E+04 75 epidote-Fe 12.46 8.43 -4.03 -0.209 0.98267E+04 76 fayalite 6.71 3.05 -3.67 -0.524 0.89430E+04 77 ferrosilite 4.69 0.91 -3.78 -0.378 0.92175E+04 78 forsterite 11.75 8.60 -3.15 -0.450 0.76766E+04 81 gibbsite -0.48 -3.06 -2.58 -0.369 0.62990E+04 82 glaucophane 6.34 2.76 -3.58 -0.097 0.87295E+04 84 goethite 3.24 1.16 -2.08 -0.450 0.50771E+04 85 graphite -2.20 -3.76 -1.57 -0.448 0.38234E+04 86 greenalite 8.22 3.50 -4.72 -0.393 0.11516E+05 88 halite 0.85 -3.35 -4.20 -2.102 0.10254E+05 89 hematite 5.56 2.32 -3.24 -0.393 0.79001E+04 90 heulandite -12.44 -13.32 -0.88 -0.040 0.21350E+04 94 jadeite -0.20 -2.40 -2.20 -0.220 0.53622E+04 96 kalsilite 1.98 -1.13 -3.11 -0.445 0.75926E+04 97 kaolinite -8.18 -10.41 -2.23 -0.203 0.54508E+04 98 kyanite -5.34 -8.27 -2.93 -0.293 0.71537E+04 100 laumontite -5.71 -6.90 -1.18 -0.079 0.28832E+04 101 lawsonite -0.96 -2.61 -1.66 -0.111 0.40442E+04 102 leucite -0.79 -3.27 -2.49 -0.249 0.60650E+04 104 lizardite 13.72 11.83 -1.88 -0.157 0.45918E+04 105 magnesite -2.24 -4.13 -1.89 -0.630 0.46083E+04 106 magnetite 9.23 4.92 -4.31 -0.352 0.10514E+05 107 minnesotaite 3.41 -0.78 -4.19 -0.246 0.10220E+05 108 minnesotaite-Mg 10.87 7.55 -3.31 -0.195 0.80867E+04 112 margarite -5.50 -8.74 -3.24 -0.130 0.79117E+04 115 microcline -5.08 -5.41 -0.34 -0.026 0.81783E+03 116 monticellite 14.96 11.03 -3.93 -0.562 0.95930E+04 118 mullite-Si -3.95 -8.27 -4.32 -0.432 0.10537E+05 119 muscovite -9.50 -11.54 -2.04 -0.120 0.49778E+04 120 paragonite -8.56 -10.67 -2.11 -0.124 0.51362E+04 121 nepheline 2.29 -0.26 -2.54 -0.363 0.62041E+04 126 periclase 9.84 5.37 -4.47 -1.118 0.10909E+05 127 periclase-Fe 6.54 2.59 -3.95 -0.987 0.96343E+04 133 phlogopite-Na 13.51 11.58 -1.93 -0.107 0.47195E+04 135 prehnite 4.21 3.04 -1.16 -0.068 0.28367E+04 136 prehnite-Fe 9.06 7.27 -1.79 -0.108 0.43642E+04 137 pumpellyite-Fe 9.83 5.62 -4.21 -0.093 0.10263E+05 138 pumpellyite-Mg 11.80 8.40 -3.40 -0.076 0.83007E+04 140 px-Ca-tschermaks 3.54 -0.47 -4.02 -0.287 0.97953E+04 141 pyrite -19.64 -20.49 -0.84 -0.198 0.20524E+04 142 pyrrhotite -6.05 -7.51 -1.46 -0.488 0.35713E+04 143 pyrrhotiteFe0.875 -7.17 -8.19 -1.02 -0.376 0.24956E+04 144 pyroxmangite 4.23 0.62 -3.61 -0.722 0.88066E+04 145 pyrophyllite -12.40 -14.69 -2.29 -0.143 0.55974E+04 149 ringwoodite-Fe 7.90 3.05 -4.85 -0.693 0.11840E+05 151 rhodochrosite -2.85 -6.74 -3.89 -1.296 0.94847E+04 152 rhodonite 4.24 0.62 -3.62 -0.725 0.88399E+04 153 sanidine -4.23 -5.41 -1.18 -0.091 0.28837E+04 155 siderite -4.61 -6.91 -2.30 -0.766 0.56076E+04 156 sillimanite -5.26 -8.27 -3.01 -0.301 0.73516E+04 163 stilbite -11.21 -13.32 -2.11 -0.101 0.51528E+04 165 stilpnomelane-Mg 6.65 5.64 -1.01 -0.030 0.24561E+04 166 stishovite 2.12 -2.14 -4.26 -1.421 0.10398E+05 168 sudoite -3.14 -7.94 -4.80 -0.155 0.11701E+05 169 sulfur -8.84 -12.97 -4.13 -1.272 0.10085E+05 171 talc 8.07 7.55 -0.51 -0.030 0.12536E+04 173 talc-tschermaks 2.30 -1.81 -4.11 -0.242 0.10030E+05 178 topaz-H -4.46 -8.27 -3.81 -0.346 0.92886E+04 179 tridymite -1.96 -2.14 -0.18 -0.060 0.44030E+03 180 tremolite 25.89 25.33 -0.56 -0.015 0.13703E+04 182 troilite-low -6.07 -7.51 -1.44 -0.482 0.35246E+04 183 tschermakite 11.27 6.61 -4.66 -0.126 0.11376E+05 186 wadsleyite-Fe 7.94 3.05 -4.89 -0.698 0.11925E+05 188 wairakite -6.19 -6.89 -0.70 -0.041 0.17166E+04 189 walstromite 7.42 5.66 -1.77 -0.353 0.43097E+04 190 wollastonite 6.71 5.66 -1.05 -0.210 0.25574E+04 191 pseudo-wollastonite 7.01 5.66 -1.35 -0.270 0.32964E+04 192 zoisite 1.89 -0.02 -1.91 -0.087 0.46529E+04 193 beidellite-Ca -10.84 -13.71 -2.87 -0.178 0.70064E+04 194 beidellite-H -11.14 -15.00 -3.86 -0.246 0.94173E+04 195 beidellite-K -10.19 -13.65 -3.46 -0.212 0.84489E+04 196 beidellite-Mg -11.08 -14.11 -3.03 -0.187 0.73853E+04 197 beidellite-Na -10.14 -13.36 -3.22 -0.197 0.78547E+04 198 bornite -67.42 -67.98 -0.56 -0.042 0.13696E+04 200 chalcedony -2.01 -2.14 -0.13 -0.044 0.32008E+03 201 chalcocite -19.95 -21.59 -1.65 -0.412 0.40211E+04 202 covellite -15.14 -17.28 -2.14 -0.816 0.52255E+04 204 montmorillonite-Ca -8.88 -10.62 -1.74 -0.107 0.42391E+04 205 montmorillonite-K -8.37 -10.56 -2.20 -0.135 0.53603E+04 206 montmorillonite-Mg -9.15 -11.02 -1.87 -0.116 0.45695E+04 207 montmorillonite-Na -8.23 -10.28 -2.05 -0.126 0.50011E+04 209 nontronite-Ca -1.80 -5.26 -3.46 -0.224 0.84307E+04 210 nontronite-H -2.11 -6.55 -4.44 -0.298 0.10829E+05 211 nontronite-K -1.16 -5.20 -4.05 -0.260 0.98708E+04 212 nontronite-Mg -2.05 -5.66 -3.61 -0.234 0.88169E+04 213 nontronite-Na -1.11 -4.91 -3.80 -0.244 0.92808E+04 215 topaz -24.45 -29.13 -4.68 -0.520 0.11408E+05 229 tobermorite 8.04 4.35 -3.69 -1.005 0.89902E+04 235 alabandite -3.33 -7.35 -4.02 -1.340 0.98049E+04 240 boehmite -1.04 -3.06 -2.03 -0.338 0.49473E+04 242 chalcopyrite -24.29 -24.80 -0.50 -0.093 0.12238E+04 245 copper,native -0.85 -4.31 -3.46 -1.203 0.84371E+04 246 dolomite,disordered -4.03 -5.83 -1.80 -0.300 0.43873E+04 247 ferrous-oxide 5.22 2.59 -2.62 -0.655 0.63958E+04 248 fluorite -11.75 -13.06 -1.31 -0.436 0.31900E+04 249 galena -10.08 -10.79 -0.71 -0.238 0.17433E+04 257 silica-amorphous -1.66 -2.14 -0.49 -0.162 0.11852E+04 260 sphalerite -10.18 -11.71 -1.52 -0.508 0.37202E+04 261 wurtzite -8.90 -11.71 -2.80 -0.934 0.68377E+04 263 an20ab80 -3.59 -4.15 -0.56 -0.043 0.13664E+04 264 an25ab75 -3.47 -4.06 -0.58 -0.045 0.14238E+04 265 an30ab70 -3.35 -3.96 -0.61 -0.047 0.14978E+04 266 tr.625ac.25prg.125 21.63 21.19 -0.44 -0.012 0.10771E+04 271 FeS-amorphous -4.21 -7.51 -3.30 -1.099 0.80470E+04 Calculations done for 260.0000 Deg. C; 48.5763 bar Enthalpies: Pure water 4.8822 kcal/mole H2O,gas 11.9754 kcal/mole CO2,gas 3.6791 kcal/mole CH4,gas 3.6191 kcal/mole Current solution 255.2598 Gas 41.2708 kcal Total current enthalpy 296.5306 kcal Starting enthalpy 296.5306 kcal Temperature changed by -2.000 degrees to 258.000 degrees C. Solids and gases carried ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ Test file for CHIM-XPT. Boil Broadlands Water Water similar to Broadlands Well No. 2 CHIMRUN demo-2a ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ Number of loops used = 15 Loop limit = 200 Temperature = 258.00 C Pressure = 46.83 bar Mixer fraction = 0.0000000 Total current enthalpy = 296.5306 KCAL Water: Moles liquid = 0.5198E+02 kg liquid = 0.9364E+00 Moles total = 0.5551E+02 kg total = 0.1000E+01 Activity = 0.9996 Stoichiometric ionic strength = .4632578E-01 Osmotic coef. = 0.8908 True ionic strength = .3391213E-01 Chg. balance for total moles = 0.2402E-07 Max. difference allowed = 0.3072E-05 Log Log Log Species(n) Molality Molality Activity Activity Gamma Gamma 1 H+ 0.30999E-06 -6.5086 0.21967E-06 -6.6582 0.70862E+00 -0.1496 2 H2O 0.99961E+00 -0.0002 0.99961E+00 -0.0002 3 Cl- 0.31142E-01 -1.5067 0.21735E-01 -1.6628 0.69793E+00 -0.1562 4 SO4-- 0.22129E-07 -7.6550 0.57906E-08 -8.2373 0.26168E+00 -0.5822 5 HCO3- 0.19451E-02 -2.7111 0.13665E-02 -2.8644 0.70255E+00 -0.1533 6 HS- 0.49057E-03 -3.3093 0.34263E-03 -3.4652 0.69842E+00 -0.1559 7 H4SiO4 0.71006E-02 -2.1487 0.71006E-02 -2.1487 0.10000E+01 0.0000 8 Al+++ 0.20797E-21 -21.6820 0.99572E-23 -23.0019 0.47877E-01 -1.3199 9 Ca++ 0.13852E-04 -4.8585 0.35378E-05 -5.4513 0.25540E+00 -0.5928 10 Mg++ 0.49597E-07 -7.3045 0.12433E-07 -7.9054 0.25069E+00 -0.6009 11 Fe++ 0.78291E-10 -10.1063 0.19717E-10 -10.7051 0.25185E+00 -0.5989 12 K+ 0.39288E-02 -2.4057 0.27652E-02 -2.5583 0.70384E+00 -0.1525 13 Na+ 0.29918E-01 -1.5241 0.20890E-01 -1.6801 0.69824E+00 -0.1560 14 Mn++ 0.13382E-09 -9.8735 0.33818E-10 -10.4708 0.25271E+00 -0.5974 15 Zn++ 0.57842E-14 -14.2378 0.14567E-14 -14.8366 0.25185E+00 -0.5989 16 Cu+ 0.54247E-12 -12.2656 0.37869E-12 -12.4217 0.69808E+00 -0.1561 17 Pb++ 0.44374E-13 -13.3529 0.11463E-13 -13.9407 0.25832E+00 -0.5878 18 Hg++ 0.66389E-33 -33.1779 0.17058E-33 -33.7681 0.25694E+00 -0.5902 19 F- 0.23689E-03 -3.6254 0.16329E-03 -3.7870 0.68929E+00 -0.1616 21 HSiO3- 0.36115E-04 -4.4423 0.25206E-04 -4.5985 0.69793E+00 -0.1562 22 Ca(HSiO3)+ 0.11135E-06 -6.9533 0.78437E-07 -7.1055 0.70444E+00 -0.1522 23 Mg(HSiO3)+ 0.26421E-09 -9.5780 0.18612E-09 -9.7302 0.70444E+00 -0.1522 24 NaHSiO3,aq 0.77664E-05 -5.1098 0.77664E-05 -5.1098 0.10000E+01 0.0000 27 HAlO2,aq 0.82564E-08 -8.0832 0.82564E-08 -8.0832 0.10000E+01 0.0000 28 AlO2- 0.23440E-05 -5.6300 0.16189E-05 -5.7908 0.69066E+00 -0.1607 29 CH4,aq 0.11104E-03 -3.9545 0.10954E-03 -3.9604 0.98654E+00 -0.0059 30 C2H6,aq 0.16285E-10 -10.7882 0.16066E-10 -10.7941 0.98654E+00 -0.0059 34 CO,aq 0.10423E-06 -6.9820 0.10423E-06 -6.9820 0.10000E+01 0.0000 35 CO2,aq 0.20018E-01 -1.6986 0.19749E-01 -1.7045 0.98654E+00 -0.0059 36 CO3-2 0.26757E-06 -6.5726 0.69467E-07 -7.1582 0.25962E+00 -0.5857 37 CaCO3,aq 0.69066E-06 -6.1607 0.69066E-06 -6.1607 0.10000E+01 0.0000 38 Ca(HCO3)+ 0.95617E-05 -5.0195 0.67356E-05 -5.1716 0.70444E+00 -0.1522 39 CaCl+ 0.10579E-04 -4.9756 0.74520E-05 -5.1277 0.70444E+00 -0.1522 40 CaCl2,aq 0.16139E-06 -6.7921 0.16139E-06 -6.7921 0.10000E+01 0.0000 41 CaF+ 0.83800E-06 -6.0768 0.59032E-06 -6.2289 0.70444E+00 -0.1522 42 CaOH+ 0.22394E-05 -5.6499 0.15775E-05 -5.8020 0.70444E+00 -0.1522 43 CaSO4,aq 0.39472E-09 -9.4037 0.39472E-09 -9.4037 0.10000E+01 0.0000 44 HCl,aq 0.14923E-07 -7.8261 0.14923E-07 -7.8261 0.10000E+01 0.0000 53 CuCl,aq 0.86876E-10 -10.0611 0.86876E-10 -10.0611 0.10000E+01 0.0000 54 CuCl2- 0.59541E-10 -10.2252 0.41555E-10 -10.3814 0.69793E+00 -0.1562 61 HF,aq 0.12403E-04 -4.9065 0.12403E-04 -4.9065 0.10000E+01 0.0000 62 HF2- 0.86124E-09 -9.0649 0.60108E-09 -9.2211 0.69793E+00 -0.1562 64 FeCl+ 0.37631E-10 -10.4245 0.26509E-10 -10.5766 0.70444E+00 -0.1522 69 FeO,aq 0.80541E-09 -9.0940 0.80541E-09 -9.0940 0.10000E+01 0.0000 70 FeOH+ 0.68223E-09 -9.1661 0.48059E-09 -9.3182 0.70444E+00 -0.1522 71 HFeO2- 0.19291E-09 -9.7146 0.13464E-09 -9.8708 0.69793E+00 -0.1562 74 FeO2- 0.18458E-09 -9.7338 0.12882E-09 -9.8900 0.69793E+00 -0.1562 75 HFeO2,aq 0.68733E-10 -10.1628 0.68733E-10 -10.1628 0.10000E+01 0.0000 76 H2,aq 0.12444E-03 -3.9050 0.12277E-03 -3.9109 0.98654E+00 -0.0059 77 Hg,aq 0.38411E-09 -9.4155 0.37894E-09 -9.4214 0.98654E+00 -0.0059 90 KCl,aq 0.38943E-04 -4.4096 0.38943E-04 -4.4096 0.10000E+01 0.0000 92 KOH,aq 0.38402E-06 -6.4156 0.38402E-06 -6.4156 0.10000E+01 0.0000 93 KSO4- 0.74699E-08 -8.1267 0.52134E-08 -8.2829 0.69793E+00 -0.1562 94 MgCO3,aq 0.26098E-09 -9.5834 0.26098E-09 -9.5834 0.10000E+01 0.0000 95 Mg(HCO3)+ 0.30073E-07 -7.5218 0.21185E-07 -7.6740 0.70444E+00 -0.1522 96 MgCl+ 0.17265E-07 -7.7628 0.12162E-07 -7.9150 0.70444E+00 -0.1522 97 MgF+ 0.78709E-08 -8.1040 0.55446E-08 -8.2561 0.70444E+00 -0.1522 98 MgOH+ 0.24153E-07 -7.6170 0.17014E-07 -7.7692 0.70444E+00 -0.1522 101 MnO,aq 0.40204E-10 -10.3957 0.40204E-10 -10.3957 0.10000E+01 0.0000 102 MnOH+ 0.17526E-09 -9.7563 0.12346E-09 -9.9085 0.70444E+00 -0.1522 107 MnCl+ 0.13475E-08 -8.8705 0.94920E-09 -9.0226 0.70444E+00 -0.1522 109 NaCl,aq 0.16154E-02 -2.7917 0.16154E-02 -2.7917 0.10000E+01 0.0000 110 NaF,aq 0.10145E-04 -4.9938 0.10145E-04 -4.9938 0.10000E+01 0.0000 111 NaOH,aq 0.18449E-05 -5.7340 0.18449E-05 -5.7340 0.10000E+01 0.0000 113 OH- 0.44495E-04 -4.3517 0.30730E-04 -4.5124 0.69066E+00 -0.1607 124 Pb(HS)2,aq 0.11468E-07 -7.9405 0.11468E-07 -7.9405 0.10000E+01 0.0000 125 Pb(HS)3- 0.24128E-09 -9.6175 0.16840E-09 -9.7737 0.69793E+00 -0.1562 126 H2S,aq 0.15207E-02 -2.8179 0.15003E-02 -2.8238 0.98654E+00 -0.0059 127 S2-2 0.13620E-09 -9.8658 0.35361E-10 -10.4515 0.25962E+00 -0.5857 134 HSO3- 0.22864E-10 -10.6409 0.15957E-10 -10.7970 0.69793E+00 -0.1562 135 HSO4- 0.45175E-09 -9.3451 0.31920E-09 -9.4959 0.70659E+00 -0.1508 154 ZnOH+ 0.72690E-10 -10.1385 0.51206E-10 -10.2907 0.70444E+00 -0.1522 158 AlF2+ 0.15467E-10 -10.8106 0.10895E-10 -10.9628 0.70444E+00 -0.1522 159 AlF3,aq 0.12199E-08 -8.9137 0.12199E-08 -8.9137 0.10000E+01 0.0000 160 AlF4- 0.17661E-08 -8.7530 0.12326E-08 -8.9092 0.69793E+00 -0.1562 161 AlF5-- 0.32674E-10 -10.4858 0.84828E-11 -11.0715 0.25962E+00 -0.5857 164 Cu(HS)2- 0.66406E-07 -7.1778 0.46347E-07 -7.3340 0.69793E+00 -0.1562 166 CuH4S3-b 0.48490E-10 -10.3143 0.33843E-10 -10.4705 0.69793E+00 -0.1562 180 MnCl2,aq 0.10277E-08 -8.9881 0.10277E-08 -8.9881 0.10000E+01 0.0000 181 MnCl3- 0.15967E-09 -9.7968 0.11144E-09 -9.9530 0.69793E+00 -0.1562 182 MnCO3,aq 0.29853E-10 -10.5250 0.29853E-10 -10.5250 0.10000E+01 0.0000 183 NaCO3- 0.12425E-06 -6.9057 0.86718E-07 -7.0619 0.69793E+00 -0.1562 184 NaHCO3,aq 0.74298E-04 -4.1290 0.74298E-04 -4.1290 0.10000E+01 0.0000 185 NaHS,aq 0.18628E-04 -4.7298 0.18628E-04 -4.7298 0.10000E+01 0.0000 186 NaSO4- 0.10644E-07 -7.9729 0.74290E-08 -8.1291 0.69793E+00 -0.1562 187 PbCO3,aq 0.74839E-10 -10.1259 0.74839E-10 -10.1259 0.10000E+01 0.0000 188 PbOH+ 0.43076E-10 -10.3658 0.30345E-10 -10.5179 0.70444E+00 -0.1522 189 PbH4S3,aq 0.16186E-10 -10.7909 0.16186E-10 -10.7909 0.10000E+01 0.0000 193 Zn(HS)2,aq 0.16027E-07 -7.7951 0.16027E-07 -7.7951 0.10000E+01 0.0000 194 Zn(HS)3- 0.22625E-09 -9.6454 0.15791E-09 -9.8016 0.69793E+00 -0.1562 Charge balance for all species = 0.2565E-07 Component Molality Aq.molality ppm log[A(N)/A(H+)**Z] (total) 1 H+ 0.3099931E-06 0.2141723E-01 0.2150530E+02 -0.0000 2 H2O 0.1000000E+01 0.5548848E+02 0.9958449E+06 0.0000 3 Cl- 0.3114161E-01 0.3280693E-01 0.1158687E+04 4.9954 4 SO4-- 0.2212881E-07 -.1421343E-03 -.1360179E+02 5.0792 5 HCO3- 0.1945103E-02 0.2215949E-01 0.1346975E+04 3.7939 6 HS- 0.4905686E-03 0.2172294E-02 0.7156924E+02 3.1931 7 H4SiO4 0.7100618E-02 0.7144611E-02 0.6840991E+03 -2.1487 8 Al+++ 0.2079734E-21 0.2355339E-05 0.6330920E-01 -3.0272 9 Ca++ 0.1385173E-04 0.3803320E-04 0.1518505E+01 7.8652 10 Mg++ 0.4959696E-07 0.1294870E-06 0.3136132E-02 5.4111 11 Fe++ 0.7829092E-10 0.2058315E-08 0.1145141E-03 2.6113 12 K+ 0.3928767E-02 0.3968101E-02 0.1545714E+03 4.1000 13 Na+ 0.2991766E-01 0.3164592E-01 0.7247701E+03 4.9782 14 Mn++ 0.1338221E-09 0.2919084E-08 0.1597596E-03 2.8456 15 Zn++ 0.5784216E-14 0.1633930E-07 0.1064044E-02 -1.5201 16 Cu+ 0.5424722E-12 0.6661106E-07 0.4216392E-02 -5.7635 17 Pb++ 0.4437436E-13 0.1185400E-07 0.2446703E-02 -0.6242 18 Hg++ 0.6638942E-33 0.3861370E-09 0.7716105E-04 -20.4516 19 F- 0.2368947E-03 0.2603011E-03 0.4926419E+01 2.8712 Component Tot moles Aq. moles Solid moles Gas moles 1 H+ 0.1822172E+00 0.2005494E-01 -.3852691E-06 0.1621627E+00 2 H2O 0.5550825E+02 0.5195899E+02 -.2330082E-02 0.3551590E+01 3 Cl- 0.3072017E-01 0.3072017E-01 0.0000000E+00 0.1648836E-08 4 SO4-- -.4257700E-02 -.1330935E-03 0.0000000E+00 -.4124606E-02 5 HCO3- 0.1832100E+00 0.2074998E-01 0.0000000E+00 0.1624600E+00 6 HS- 0.9985820E-02 0.2034120E-02 0.0000000E+00 0.7951700E-02 7 H4SiO4 0.7855346E-02 0.6690160E-02 0.1165185E-02 0.0000000E+00 8 Al+++ 0.2253680E-05 0.2205521E-05 0.4815864E-07 0.0000000E+00 9 Ca++ 0.3561400E-04 0.3561400E-04 0.0000000E+00 0.0000000E+00 10 Mg++ 0.2355503E-06 0.1212507E-06 0.1142996E-06 0.0000000E+00 11 Fe++ 0.8017372E-08 0.1927391E-08 0.6089981E-08 0.0000000E+00 12 K+ 0.3715700E-02 0.3715700E-02 0.0000000E+00 0.0000000E+00 13 Na+ 0.2963300E-01 0.2963300E-01 0.0000000E+00 0.0000000E+00 14 Mn++ 0.2740424E-08 0.2733409E-08 0.7015127E-11 0.0000000E+00 15 Zn++ 0.1530000E-07 0.1530000E-07 0.0000000E+00 0.0000000E+00 16 Cu+ 0.6237410E-07 0.6237410E-07 0.0000000E+00 0.0000000E+00 17 Pb++ 0.1110000E-07 0.1110000E-07 0.0000000E+00 0.0000000E+00 18 Hg++ 0.4000000E-08 0.3615758E-09 0.0000000E+00 0.3638424E-08 19 F- 0.2439100E-03 0.2437440E-03 0.0000000E+00 0.1659944E-06 Chg. balance for solid moles: 0.1899E-16 Mass of aqueous solution: 0.939962E+03 g Temperature = 258.00 C Pressure = 46.83 bar Mixer frac. = 0.0000000 Log Log Vol Gas or mineral Moles Moles Grams Grams Wt.% (cm3) H2O,gas 3.704 0.569 66.71 1.824 90.26 2801. CO2,gas 0.1593 -0.798 7.010 0.846 9.485 160.4 CH4,gas 0.3174E-02 -2.498 0.5090E-01 -1.293 0.6888E-01 3.555 H2,gas 0.3802E-02 -2.420 0.7680E-02 -2.115 0.1039E-01 3.647 H2S,gas 0.3827E-02 -2.417 0.1304 -0.885 0.1765 3.390 CO,gas 0.2487E-05 -5.604 0.6966E-04 -4.157 0.9425E-04 0.2345E-02 SO2,gas 0.3264E-12 -12.486 0.2091E-10 -10.680 0.2829E-10 0.3078E-09 HF,gas 0.1660E-06 -6.780 0.3320E-05 -5.479 0.4492E-05 0.1565E-03 HCl,gas 0.1649E-08 -8.783 0.6012E-07 -7.221 0.8134E-07 0.1555E-05 Hg,gas 0.3638E-08 -8.439 0.7298E-06 -6.137 0.9875E-06 0.3431E-05 clinochlore 0.2286E-07 -7.641 0.1271E-04 -4.896 0.1815E-01 0.4833E-05 daphnite 0.1218E-08 -8.914 0.8691E-06 -6.061 0.1241E-02 0.2633E-06 chlorite-Mn 0.1403E-11 -11.853 0.9947E-09 -9.002 0.1421E-05 0.3170E-09 quartz 0.1165E-02 -2.934 0.7000E-01 -1.155 99.98 0.2644E-01 Partial press. Fugacity coef Log fugacity Gas or Mineral Mole fraction or activity Activity coef Log activity H2O,gas 0.9561E+00 0.4478E+02 0.8417 1.576 CO2,gas 0.4112E-01 0.1926E+01 0.9870 0.279 CH4,gas 0.8192E-03 0.3837E-01 1.1562 -1.353 H2,gas 0.9814E-03 0.4596E-01 1.0176 -1.330 H2S,gas 0.9879E-03 0.4627E-01 0.9391 -1.362 CO,gas 0.6419E-06 0.3006E-04 1.0000 -4.522 SO2,gas 0.8426E-13 0.3947E-11 1.0000 -11.404 HF,gas 0.4285E-07 0.2007E-05 1.0000 -5.697 HCl,gas 0.4256E-09 0.1993E-07 1.0000 -7.700 Hg,gas 0.9392E-09 0.4399E-07 1.0000 -7.357 clinochlore 0.9494E+00 0.9494E+00 1.0000 -0.023 daphnite 0.5058E-01 0.5058E-01 1.0000 -1.296 chlorite-Mn 0.5827E-04 0.5827E-04 1.0000 -4.235 quartz 0.1000E+01 0.1000E+01 1.0000 0.000 Current weight percent of gas: 7.289042 % Solid products produced: Mass = 0.070014 g Volume = 0.026440 cm3 WARNING: mineral volume may be in error because some mineral densities were not supplied in SOLTHERM. See mineral list in file Skip_Species.txt. NON-Ideal mixing with H2O, CO2, CH4 Gases ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ The following gases and minerals are presently in matrix or were just added Gas or Mineral Log K Log Q Log(Q/K) Log(Q/K)/S Affinity Log Fugacity 1 H2O,gas 0.09 0.09 -0.00 -0.000 0.15721E-08 2 CO2,gas -8.13 -8.13 0.00 0.000 -0.54830E-09 3 CH4,gas 4.93 4.93 0.00 0.000 -0.15154E-08 4 H2,gas 5.86 5.86 0.00 0.000 -0.13816E-09 5 H2S,gas -7.09 -7.09 -0.00 -0.000 0.48139E-09 6 CO,gas -0.47 -0.47 -0.00 -0.000 0.32380E-11 7 SO2,gas -5.62 -5.62 -0.00 -0.000 0.12952E-10 8 HF,gas -3.08 -3.08 0.00 0.000 -0.10793E-11 9 HCl,gas 1.05 1.05 -0.00 -0.000 0.53967E-12 10 Hg,gas -8.57 -8.57 0.00 0.000 -0.43174E-11 43 clinochlore 14.67 14.67 0.00 0.000 -0.43174E-11 44 daphnite 7.04 7.04 -0.00 -0.000 0.28063E-10 45 chlorite-Mn 22.90 22.90 0.00 0.000 0.00000E+00 146 quartz -2.15 -2.15 0.00 0.000 0.00000E+00 The following gases and minerals are presently EXCLUDED from matrix (Gases and minerals with log(Q/K) less than -5 are not listed below) Gas or Mineral Log K Log Q Log(Q/K) Log(Q/K)/S Affinity Log Fugacity 11 acmite 4.81 1.86 -2.94 -0.306 0.71552E+04 15 albite-high -3.43 -4.49 -1.06 -0.082 0.25832E+04 16 albite -3.93 -4.49 -0.57 -0.044 0.13823E+04 20 analcite -1.03 -2.35 -1.31 -0.146 0.31892E+04 21 andalusite -5.29 -8.20 -2.91 -0.291 0.70781E+04 22 andradite 22.72 19.51 -3.20 -0.166 0.77845E+04 23 grossular 13.14 11.10 -2.04 -0.102 0.49641E+04 25 ankerite -6.28 -8.57 -2.29 -0.381 0.55602E+04 26 annite 6.96 2.46 -4.50 -0.250 0.10944E+05 27 phlogopite 12.19 10.86 -1.33 -0.074 0.32371E+04 29 anorthite -0.88 -2.49 -1.60 -0.123 0.38987E+04 32 aragonite -1.28 -1.66 -0.38 -0.127 0.92472E+03 33 brucite 8.10 5.41 -2.69 -0.538 0.65357E+04 34 calcite -1.43 -1.66 -0.23 -0.076 0.55658E+03 35 carnegieite-low 2.86 -0.20 -3.06 -0.437 0.74289E+04 36 carnegieite-high 3.37 -0.20 -3.57 -0.510 0.86744E+04 37 carpholite-Mg -2.59 -4.94 -2.36 -0.157 0.57239E+04 38 carpholite-Fe -4.01 -7.74 -3.73 -0.249 0.90689E+04 39 celadonite 0.10 -2.11 -2.21 -0.130 0.53736E+04 40 celadonite-Fe -1.18 -4.91 -3.73 -0.220 0.90712E+04 41 chrysotile 14.05 11.94 -2.12 -0.176 0.51474E+04 46 chlorite-Al-free 27.84 23.87 -3.97 -0.165 0.96410E+04 47 chloritoid-Mg -0.02 -2.79 -2.78 -0.185 0.67459E+04 48 chloritoid-Fe -2.78 -5.59 -2.81 -0.187 0.68268E+04 49 chloritoid-Mn -0.57 -5.36 -4.78 -0.319 0.11626E+05 51 coesite -1.69 -2.15 -0.45 -0.151 0.11030E+04 56 corundum -2.86 -6.05 -3.19 -0.290 0.77631E+04 58 cristobalite -1.94 -2.15 -0.21 -0.068 0.49901E+03 61 cymrite-K -1.90 -5.37 -3.48 -0.290 0.84487E+04 63 diaspore -1.81 -3.03 -1.22 -0.203 0.29566E+04 64 diamond -1.83 -3.81 -1.98 -0.566 0.48121E+04 65 diopside 9.38 8.98 -0.41 -0.041 0.98435E+03 66 hedenbergite 7.86 6.18 -1.68 -0.168 0.40881E+04 67 dolomite,ordered -4.27 -5.77 -1.50 -0.250 0.36473E+04 68 eastonite 5.81 1.54 -4.27 -0.164 0.10371E+05 69 enstatite 9.20 6.53 -2.67 -0.267 0.64954E+04 70 clinoenstatite-HiP 9.98 6.53 -3.45 -0.345 0.83857E+04 71 clinoenstatite 9.13 6.53 -2.61 -0.261 0.63402E+04 72 protoenstatite 9.52 6.53 -3.00 -0.300 0.72796E+04 73 epidote 6.15 4.41 -1.74 -0.084 0.42324E+04 74 clinozoisite 2.07 0.20 -1.87 -0.085 0.45342E+04 75 epidote-Fe 12.63 8.62 -4.01 -0.208 0.97493E+04 76 fayalite 6.79 3.07 -3.71 -0.530 0.90208E+04 77 ferrosilite 4.75 0.93 -3.82 -0.382 0.92941E+04 78 forsterite 11.84 8.67 -3.16 -0.452 0.76888E+04 81 gibbsite -0.44 -3.03 -2.59 -0.370 0.62961E+04 82 glaucophane 6.51 2.95 -3.56 -0.096 0.86485E+04 84 goethite 3.27 1.18 -2.09 -0.452 0.50834E+04 85 graphite -2.20 -3.81 -1.60 -0.458 0.38964E+04 86 greenalite 8.30 3.54 -4.76 -0.397 0.11578E+05 88 halite 0.87 -3.34 -4.21 -2.105 0.10234E+05 89 hematite 5.63 2.36 -3.27 -0.396 0.79370E+04 90 heulandite -12.37 -13.23 -0.86 -0.039 0.20834E+04 94 jadeite -0.15 -2.35 -2.19 -0.219 0.53310E+04 96 kalsilite 2.04 -1.08 -3.11 -0.445 0.75633E+04 97 kaolinite -8.10 -10.35 -2.25 -0.204 0.54613E+04 98 kyanite -5.23 -8.20 -2.97 -0.297 0.72193E+04 100 laumontite -5.62 -6.78 -1.16 -0.077 0.28209E+04 101 lawsonite -0.85 -2.49 -1.64 -0.109 0.39878E+04 102 leucite -0.74 -3.22 -2.49 -0.249 0.60439E+04 104 lizardite 13.81 11.94 -1.87 -0.156 0.45466E+04 105 magnesite -2.20 -4.11 -1.91 -0.637 0.46428E+04 106 magnetite 9.33 4.98 -4.36 -0.356 0.10591E+05 107 minnesotaite 3.48 -0.76 -4.24 -0.249 0.10305E+05 108 minnesotaite-Mg 10.96 7.64 -3.32 -0.195 0.80723E+04 112 margarite -5.27 -8.54 -3.28 -0.131 0.79600E+04 115 microcline -5.05 -5.37 -0.32 -0.025 0.78576E+03 116 monticellite 15.05 11.13 -3.92 -0.560 0.95330E+04 118 mullite-Si -3.84 -8.20 -4.37 -0.437 0.10611E+05 119 muscovite -9.38 -11.43 -2.05 -0.121 0.49871E+04 120 paragonite -8.43 -10.55 -2.12 -0.125 0.51565E+04 121 nepheline 2.35 -0.20 -2.54 -0.364 0.61854E+04 126 periclase 9.90 5.41 -4.49 -1.123 0.10915E+05 127 periclase-Fe 6.59 2.61 -3.98 -0.995 0.96750E+04 133 phlogopite-Na 13.67 11.74 -1.93 -0.107 0.46937E+04 135 prehnite 4.36 3.23 -1.13 -0.067 0.27481E+04 136 prehnite-Fe 9.19 7.44 -1.75 -0.106 0.42633E+04 137 pumpellyite-Fe 10.20 6.04 -4.15 -0.092 0.10093E+05 138 pumpellyite-Mg 12.18 8.84 -3.33 -0.074 0.80985E+04 140 px-Ca-tschermaks 3.69 -0.34 -4.03 -0.288 0.97995E+04 141 pyrite -19.63 -20.49 -0.86 -0.203 0.20991E+04 142 pyrrhotite -6.02 -7.51 -1.50 -0.498 0.36343E+04 143 pyrrhotiteFe0.875 -7.14 -8.19 -1.05 -0.386 0.25509E+04 144 pyroxmangite 4.26 0.70 -3.56 -0.713 0.86617E+04 145 pyrophyllite -12.33 -14.65 -2.32 -0.145 0.56357E+04 149 ringwoodite-Fe 7.97 3.07 -4.90 -0.700 0.11911E+05 151 rhodochrosite -2.82 -6.68 -3.85 -1.285 0.93676E+04 152 rhodonite 4.27 0.70 -3.58 -0.716 0.86956E+04 153 sanidine -4.20 -5.37 -1.17 -0.090 0.28516E+04 155 siderite -4.58 -6.91 -2.33 -0.778 0.56739E+04 156 sillimanite -5.15 -8.20 -3.05 -0.305 0.74226E+04 163 stilbite -11.16 -13.23 -2.07 -0.098 0.50252E+04 165 stilpnomelane-Mg 6.85 5.86 -0.99 -0.030 0.24085E+04 166 stishovite 2.13 -2.15 -4.28 -1.425 0.10391E+05 168 sudoite -2.89 -7.73 -4.84 -0.156 0.11764E+05 169 sulfur -8.83 -12.98 -4.15 -1.278 0.10091E+05 171 talc 8.15 7.64 -0.51 -0.030 0.12370E+04 173 talc-tschermaks 2.47 -1.68 -4.15 -0.244 0.10084E+05 178 topaz-H -4.37 -8.20 -3.83 -0.349 0.93198E+04 179 tridymite -1.97 -2.15 -0.18 -0.061 0.44276E+03 180 tremolite 26.10 25.60 -0.51 -0.014 0.12312E+04 182 troilite-low -6.04 -7.51 -1.48 -0.492 0.35849E+04 183 tschermakite 11.64 6.96 -4.68 -0.126 0.11368E+05 186 wadsleyite-Fe 8.01 3.07 -4.94 -0.705 0.12000E+05 188 wairakite -6.09 -6.78 -0.70 -0.041 0.16952E+04 189 walstromite 7.46 5.72 -1.75 -0.349 0.42441E+04 190 wollastonite 6.74 5.72 -1.03 -0.205 0.24913E+04 191 pseudo-wollastonite 7.05 5.72 -1.33 -0.266 0.32324E+04 192 zoisite 2.10 0.20 -1.90 -0.086 0.46108E+04 193 beidellite-Ca -10.74 -13.64 -2.90 -0.179 0.70475E+04 194 beidellite-H -11.04 -14.94 -3.89 -0.249 0.94663E+04 195 beidellite-K -10.10 -13.59 -3.49 -0.214 0.84773E+04 196 beidellite-Mg -10.99 -14.05 -3.06 -0.189 0.74382E+04 197 beidellite-Na -10.05 -13.30 -3.24 -0.199 0.78866E+04 198 bornite -67.56 -68.13 -0.57 -0.043 0.13905E+04 200 chalcedony -2.02 -2.15 -0.13 -0.044 0.32024E+03 201 chalcocite -20.00 -21.65 -1.65 -0.412 0.40016E+04 202 covellite -15.17 -17.32 -2.14 -0.817 0.52105E+04 204 montmorillonite-Ca -8.81 -10.57 -1.75 -0.108 0.42595E+04 205 montmorillonite-K -8.30 -10.51 -2.21 -0.135 0.53715E+04 206 montmorillonite-Mg -9.08 -10.97 -1.89 -0.117 0.46015E+04 207 montmorillonite-Na -8.16 -10.22 -2.06 -0.126 0.50124E+04 209 nontronite-Ca -1.75 -5.22 -3.47 -0.225 0.84387E+04 210 nontronite-H -2.06 -6.52 -4.46 -0.299 0.10845E+05 211 nontronite-K -1.11 -5.17 -4.06 -0.261 0.98660E+04 212 nontronite-Mg -1.99 -5.63 -3.64 -0.236 0.88366E+04 213 nontronite-Na -1.06 -4.88 -3.82 -0.245 0.92797E+04 215 topaz -24.34 -29.09 -4.75 -0.528 0.11543E+05 229 tobermorite 8.06 4.40 -3.65 -0.997 0.88803E+04 235 alabandite -3.29 -7.28 -3.99 -1.329 0.96905E+04 240 boehmite -0.98 -3.03 -2.05 -0.341 0.49712E+04 242 chalcopyrite -24.30 -24.83 -0.52 -0.097 0.12726E+04 245 copper,native -0.87 -4.33 -3.46 -1.204 0.84154E+04 246 dolomite,disordered -3.96 -5.77 -1.81 -0.301 0.43944E+04 247 ferrous-oxide 5.26 2.61 -2.65 -0.662 0.64384E+04 248 fluorite -11.71 -13.03 -1.32 -0.438 0.31964E+04 249 galena -10.08 -10.75 -0.66 -0.222 0.16158E+04 257 silica-amorphous -1.66 -2.15 -0.49 -0.163 0.11910E+04 260 sphalerite -10.17 -11.64 -1.47 -0.491 0.35836E+04 261 wurtzite -8.89 -11.64 -2.76 -0.919 0.67015E+04 263 an20ab80 -3.53 -4.09 -0.56 -0.043 0.13583E+04 264 an25ab75 -3.41 -3.99 -0.58 -0.045 0.14174E+04 265 an30ab70 -3.28 -3.89 -0.61 -0.047 0.14933E+04 266 tr.625ac.25prg.125 21.86 21.45 -0.42 -0.011 0.10124E+04 271 FeS-amorphous -4.19 -7.51 -3.32 -1.106 0.80641E+04 Calculations done for 258.0000 Deg. C; 46.8348 bar Enthalpies: Pure water 4.8394 kcal/mole H2O,gas 11.9875 kcal/mole CO2,gas 3.6306 kcal/mole CH4,gas 3.5636 kcal/mole Current solution 251.5404 Gas 44.9902 kcal Total current enthalpy 296.5306 kcal Starting enthalpy 296.5306 kcal Temperature changed by -2.000 degrees to 256.000 degrees C. Solids and gases carried ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ Test file for CHIM-XPT. Boil Broadlands Water Water similar to Broadlands Well No. 2 CHIMRUN demo-2a ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ Number of loops used = 15 Loop limit = 200 Temperature = 256.00 C Pressure = 45.17 bar Mixer fraction = 0.0000000 Total current enthalpy = 296.5306 KCAL Water: Moles liquid = 0.5168E+02 kg liquid = 0.9310E+00 Moles total = 0.5551E+02 kg total = 0.1000E+01 Activity = 0.9996 Stoichiometric ionic strength = .4544831E-01 Osmotic coef. = 0.8923 True ionic strength = .3416261E-01 Chg. balance for total moles = 0.2402E-07 Max. difference allowed = 0.3072E-05 Log Log Log Species(n) Molality Molality Activity Activity Gamma Gamma 1 H+ 0.29429E-06 -6.5312 0.20895E-06 -6.6800 0.71001E+00 -0.1487 2 H2O 0.99965E+00 -0.0002 0.99965E+00 -0.0002 3 Cl- 0.31372E-01 -1.5035 0.21941E-01 -1.6587 0.69939E+00 -0.1553 4 SO4-- 0.25737E-07 -7.5894 0.67864E-08 -8.1684 0.26369E+00 -0.5789 5 HCO3- 0.19514E-02 -2.7097 0.13738E-02 -2.8621 0.70399E+00 -0.1524 6 HS- 0.49600E-03 -3.3045 0.34714E-03 -3.4595 0.69988E+00 -0.1550 7 H4SiO4 0.69787E-02 -2.1562 0.69787E-02 -2.1562 0.10000E+01 0.0000 8 Al+++ 0.19268E-21 -21.7152 0.93864E-23 -23.0275 0.48716E-01 -1.3123 9 Ca++ 0.14365E-04 -4.8427 0.36974E-05 -5.4321 0.25740E+00 -0.5894 10 Mg++ 0.48554E-07 -7.3138 0.12268E-07 -7.9112 0.25268E+00 -0.5974 11 Fe++ 0.73484E-10 -10.1338 0.18653E-10 -10.7293 0.25384E+00 -0.5954 12 K+ 0.39532E-02 -2.4031 0.27881E-02 -2.5547 0.70527E+00 -0.1516 13 Na+ 0.30142E-01 -1.5208 0.21091E-01 -1.6759 0.69970E+00 -0.1551 14 Mn++ 0.14434E-09 -9.8406 0.36764E-10 -10.4346 0.25470E+00 -0.5940 15 Zn++ 0.62132E-14 -14.2067 0.15772E-14 -14.8021 0.25384E+00 -0.5954 16 Cu+ 0.49229E-12 -12.3078 0.34438E-12 -12.4630 0.69953E+00 -0.1552 17 Pb++ 0.45791E-13 -13.3392 0.11920E-13 -13.9237 0.26032E+00 -0.5845 18 Hg++ 0.51841E-33 -33.2853 0.13423E-33 -33.8721 0.25893E+00 -0.5868 19 F- 0.23977E-03 -3.6202 0.16563E-03 -3.7809 0.69080E+00 -0.1607 21 HSiO3- 0.38279E-04 -4.4170 0.26772E-04 -4.5723 0.69939E+00 -0.1553 22 Ca(HSiO3)+ 0.11579E-06 -6.9363 0.81735E-07 -7.0876 0.70586E+00 -0.1513 23 Mg(HSiO3)+ 0.26129E-09 -9.5829 0.18444E-09 -9.7342 0.70586E+00 -0.1513 24 NaHSiO3,aq 0.81544E-05 -5.0886 0.81544E-05 -5.0886 0.10000E+01 0.0000 27 HAlO2,aq 0.80525E-08 -8.0941 0.80525E-08 -8.0941 0.10000E+01 0.0000 28 AlO2- 0.23566E-05 -5.6277 0.16311E-05 -5.7875 0.69215E+00 -0.1598 29 CH4,aq 0.95522E-04 -4.0199 0.94255E-04 -4.0257 0.98674E+00 -0.0058 30 C2H6,aq 0.12291E-10 -10.9104 0.12128E-10 -10.9162 0.98674E+00 -0.0058 34 CO,aq 0.86181E-07 -7.0646 0.86181E-07 -7.0646 0.10000E+01 0.0000 35 CO2,aq 0.17946E-01 -1.7460 0.17708E-01 -1.7518 0.98674E+00 -0.0058 36 CO3-2 0.29432E-06 -6.5312 0.77003E-07 -7.1135 0.26163E+00 -0.5823 37 CaCO3,aq 0.72558E-06 -6.1393 0.72558E-06 -6.1393 0.10000E+01 0.0000 38 Ca(HCO3)+ 0.93640E-05 -5.0285 0.66097E-05 -5.1798 0.70586E+00 -0.1513 39 CaCl+ 0.10407E-04 -4.9827 0.73460E-05 -5.1339 0.70586E+00 -0.1513 40 CaCl2,aq 0.15443E-06 -6.8113 0.15443E-06 -6.8113 0.10000E+01 0.0000 41 CaF+ 0.82596E-06 -6.0830 0.58302E-06 -6.2343 0.70586E+00 -0.1513 42 CaOH+ 0.22968E-05 -5.6389 0.16212E-05 -5.7902 0.70586E+00 -0.1513 43 CaSO4,aq 0.44502E-09 -9.3516 0.44502E-09 -9.3516 0.10000E+01 0.0000 44 HCl,aq 0.13473E-07 -7.8706 0.13473E-07 -7.8706 0.10000E+01 0.0000 53 CuCl,aq 0.77752E-10 -10.1093 0.77752E-10 -10.1093 0.10000E+01 0.0000 54 CuCl2- 0.53374E-10 -10.2727 0.37329E-10 -10.4280 0.69939E+00 -0.1553 61 HF,aq 0.11279E-04 -4.9477 0.11279E-04 -4.9477 0.10000E+01 0.0000 62 HF2- 0.79529E-09 -9.0995 0.55622E-09 -9.2548 0.69939E+00 -0.1553 64 FeCl+ 0.33665E-10 -10.4728 0.23763E-10 -10.6241 0.70586E+00 -0.1513 69 FeO,aq 0.75941E-09 -9.1195 0.75941E-09 -9.1195 0.10000E+01 0.0000 70 FeOH+ 0.64436E-09 -9.1909 0.45483E-09 -9.3422 0.70586E+00 -0.1513 71 HFeO2- 0.19213E-09 -9.7164 0.13437E-09 -9.8717 0.69939E+00 -0.1553 74 FeO2- 0.18339E-09 -9.7366 0.12826E-09 -9.8919 0.69939E+00 -0.1553 75 HFeO2,aq 0.66714E-10 -10.1758 0.66714E-10 -10.1758 0.10000E+01 0.0000 76 H2,aq 0.11492E-03 -3.9396 0.11339E-03 -3.9454 0.98674E+00 -0.0058 77 Hg,aq 0.33901E-09 -9.4698 0.33451E-09 -9.4756 0.98674E+00 -0.0058 90 KCl,aq 0.37624E-04 -4.4245 0.37624E-04 -4.4245 0.10000E+01 0.0000 92 KOH,aq 0.39470E-06 -6.4037 0.39470E-06 -6.4037 0.10000E+01 0.0000 93 KSO4- 0.83383E-08 -8.0789 0.58317E-08 -8.2342 0.69939E+00 -0.1553 94 MgCO3,aq 0.26101E-09 -9.5833 0.26101E-09 -9.5833 0.10000E+01 0.0000 95 Mg(HCO3)+ 0.27890E-07 -7.5545 0.19687E-07 -7.7058 0.70586E+00 -0.1513 96 MgCl+ 0.16158E-07 -7.7916 0.11405E-07 -7.9429 0.70586E+00 -0.1513 97 MgF+ 0.73501E-08 -8.1337 0.51882E-08 -8.2850 0.70586E+00 -0.1513 98 MgOH+ 0.23453E-07 -7.6298 0.16555E-07 -7.7811 0.70586E+00 -0.1513 101 MnO,aq 0.43668E-10 -10.3598 0.43668E-10 -10.3598 0.10000E+01 0.0000 102 MnOH+ 0.18964E-09 -9.7221 0.13386E-09 -9.8734 0.70586E+00 -0.1513 107 MnCl+ 0.13619E-08 -8.8658 0.96134E-09 -9.0171 0.70586E+00 -0.1513 109 NaCl,aq 0.15773E-02 -2.8021 0.15773E-02 -2.8021 0.10000E+01 0.0000 110 NaF,aq 0.99284E-05 -5.0031 0.99284E-05 -5.0031 0.10000E+01 0.0000 111 NaOH,aq 0.19036E-05 -5.7204 0.19036E-05 -5.7204 0.10000E+01 0.0000 113 OH- 0.46835E-04 -4.3294 0.32417E-04 -4.4892 0.69215E+00 -0.1598 122 PbO,aq 0.10342E-10 -10.9854 0.10342E-10 -10.9854 0.10000E+01 0.0000 124 Pb(HS)2,aq 0.11524E-07 -7.9384 0.11524E-07 -7.9384 0.10000E+01 0.0000 125 Pb(HS)3- 0.23903E-09 -9.6216 0.16717E-09 -9.7768 0.69939E+00 -0.1553 126 H2S,aq 0.13941E-02 -2.8557 0.13756E-02 -2.8615 0.98674E+00 -0.0058 127 S2-2 0.13880E-09 -9.8576 0.36314E-10 -10.4399 0.26163E+00 -0.5823 134 HSO3- 0.22441E-10 -10.6490 0.15695E-10 -10.8042 0.69939E+00 -0.1553 135 HSO4- 0.46429E-09 -9.3332 0.32872E-09 -9.4832 0.70801E+00 -0.1500 154 ZnOH+ 0.77148E-10 -10.1127 0.54456E-10 -10.2640 0.70586E+00 -0.1513 158 AlF2+ 0.10658E-10 -10.9723 0.75233E-11 -11.1236 0.70586E+00 -0.1513 159 AlF3,aq 0.77881E-09 -9.1086 0.77881E-09 -9.1086 0.10000E+01 0.0000 160 AlF4- 0.10683E-08 -8.9713 0.74718E-09 -9.1266 0.69939E+00 -0.1553 161 AlF5-- 0.19758E-10 -10.7043 0.51691E-11 -11.2866 0.26163E+00 -0.5823 164 Cu(HS)2- 0.66809E-07 -7.1752 0.46725E-07 -7.3304 0.69939E+00 -0.1553 166 CuH4S3-b 0.49719E-10 -10.3035 0.34773E-10 -10.4588 0.69939E+00 -0.1553 180 MnCl2,aq 0.99710E-09 -9.0013 0.99710E-09 -9.0013 0.10000E+01 0.0000 181 MnCl3- 0.15736E-09 -9.8031 0.11005E-09 -9.9584 0.69939E+00 -0.1553 182 MnCO3,aq 0.35556E-10 -10.4491 0.35556E-10 -10.4491 0.10000E+01 0.0000 183 NaCO3- 0.14208E-06 -6.8475 0.99366E-07 -7.0028 0.69939E+00 -0.1553 184 NaHCO3,aq 0.72074E-04 -4.1422 0.72074E-04 -4.1422 0.10000E+01 0.0000 185 NaHS,aq 0.18213E-04 -4.7396 0.18213E-04 -4.7396 0.10000E+01 0.0000 186 NaSO4- 0.11999E-07 -7.9209 0.83918E-08 -8.0761 0.69939E+00 -0.1553 187 PbCO3,aq 0.88625E-10 -10.0524 0.88625E-10 -10.0524 0.10000E+01 0.0000 188 PbOH+ 0.45313E-10 -10.3438 0.31985E-10 -10.4951 0.70586E+00 -0.1513 189 PbH4S3,aq 0.14798E-10 -10.8298 0.14798E-10 -10.8298 0.10000E+01 0.0000 193 Zn(HS)2,aq 0.16108E-07 -7.7929 0.16108E-07 -7.7929 0.10000E+01 0.0000 194 Zn(HS)3- 0.23557E-09 -9.6279 0.16476E-09 -9.7832 0.69939E+00 -0.1553 Charge balance for all species = 0.2580E-07 Component Molality Aq.molality ppm log[A(N)/A(H+)**Z] (total) 1 H+ 0.2942937E-06 0.1921423E-01 0.1929506E+02 0.0000 2 H2O 0.1000000E+01 0.5549052E+02 0.9959758E+06 0.0000 3 Cl- 0.3137232E-01 0.3299798E-01 0.1165544E+04 5.0212 4 SO4-- 0.2573669E-07 -.1242255E-03 -.1188910E+02 5.1916 5 HCO3- 0.1951416E-02 0.2007551E-01 0.1220414E+04 3.8179 6 HS- 0.4960037E-03 0.2032753E-02 0.6697823E+02 3.2205 7 H4SiO4 0.6978745E-02 0.7025295E-02 0.6727380E+03 -2.1562 8 Al+++ 0.1926760E-21 0.2366486E-05 0.6361486E-01 -2.9876 9 Ca++ 0.1436458E-04 0.3825468E-04 0.1527493E+01 7.9278 10 Mg++ 0.4855367E-07 0.1239308E-06 0.3001846E-02 5.4487 11 Fe++ 0.7348361E-10 0.1960624E-08 0.1090894E-03 2.6307 12 K+ 0.3953182E-02 0.3991209E-02 0.1554862E+03 4.1253 13 Na+ 0.3014249E-01 0.3183021E-01 0.7290597E+03 5.0040 14 Mn++ 0.1443428E-09 0.2934878E-08 0.1606392E-03 2.9253 15 Zn++ 0.6213225E-14 0.1643445E-07 0.1070341E-02 -1.4422 16 Cu+ 0.4922932E-12 0.6699897E-07 0.4241347E-02 -5.7830 17 Pb++ 0.4579070E-13 0.1192303E-07 0.2461184E-02 -0.5638 18 Hg++ 0.5184084E-33 0.3407106E-09 0.6809001E-04 -20.5122 19 F- 0.2397714E-03 0.2618203E-03 0.4955640E+01 2.8991 Component Tot moles Aq. moles Solid moles Gas moles 1 H+ 0.1822172E+00 0.1788789E-01 -.4043985E-06 0.1643297E+00 2 H2O 0.5550825E+02 0.5166007E+02 -.2629696E-02 0.3850812E+01 3 Cl- 0.3072017E-01 0.3072017E-01 0.0000000E+00 0.1589994E-08 4 SO4-- -.4257700E-02 -.1156503E-03 0.0000000E+00 -.4142050E-02 5 HCO3- 0.1832100E+00 0.1868972E-01 0.0000000E+00 0.1645203E+00 6 HS- 0.9985820E-02 0.1892435E-02 0.0000000E+00 0.8093385E-02 7 H4SiO4 0.7855346E-02 0.6540346E-02 0.1315000E-02 0.0000000E+00 8 Al+++ 0.2253680E-05 0.2203130E-05 0.5054981E-07 0.0000000E+00 9 Ca++ 0.3561400E-04 0.3561400E-04 0.0000000E+00 0.0000000E+00 10 Mg++ 0.2355503E-06 0.1153760E-06 0.1201743E-06 0.0000000E+00 11 Fe++ 0.8017372E-08 0.1825284E-08 0.6192088E-08 0.0000000E+00 12 K+ 0.3715700E-02 0.3715700E-02 0.0000000E+00 0.0000000E+00 13 Na+ 0.2963300E-01 0.2963300E-01 0.0000000E+00 0.0000000E+00 14 Mn++ 0.2740424E-08 0.2732287E-08 0.8136946E-11 0.0000000E+00 15 Zn++ 0.1530000E-07 0.1530000E-07 0.0000000E+00 0.0000000E+00 16 Cu+ 0.6237410E-07 0.6237410E-07 0.0000000E+00 0.0000000E+00 17 Pb++ 0.1110000E-07 0.1110000E-07 0.0000000E+00 0.0000000E+00 18 Hg++ 0.4000000E-08 0.3171917E-09 0.0000000E+00 0.3682808E-08 19 F- 0.2439100E-03 0.2437472E-03 0.0000000E+00 0.1628418E-06 Chg. balance for solid moles: -.1611E-16 Mass of aqueous solution: 0.934432E+03 g Temperature = 256.00 C Pressure = 45.17 bar Mixer frac. = 0.0000000 Log Log Vol Gas or mineral Moles Moles Grams Grams Wt.% (cm3) H2O,gas 4.005 0.603 72.13 1.858 90.81 3148. CO2,gas 0.1614 -0.792 7.102 0.851 8.942 167.5 CH4,gas 0.3140E-02 -2.503 0.5036E-01 -1.298 0.6341E-01 3.620 H2,gas 0.4007E-02 -2.397 0.8094E-02 -2.092 0.1019E-01 3.969 H2S,gas 0.3951E-02 -2.403 0.1347 -0.871 0.1695 3.621 CO,gas 0.2368E-05 -5.626 0.6633E-04 -4.178 0.8351E-04 0.2307E-02 SO2,gas 0.3167E-12 -12.499 0.2029E-10 -10.693 0.2554E-10 0.3085E-09 HF,gas 0.1628E-06 -6.788 0.3257E-05 -5.487 0.4100E-05 0.1586E-03 HCl,gas 0.1590E-08 -8.799 0.5797E-07 -7.237 0.7299E-07 0.1549E-05 Hg,gas 0.3683E-08 -8.434 0.7387E-06 -6.132 0.9301E-06 0.3587E-05 clinochlore 0.2403E-07 -7.619 0.1336E-04 -4.874 0.1691E-01 0.5082E-05 daphnite 0.1238E-08 -8.907 0.8836E-06 -6.054 0.1118E-02 0.2678E-06 chlorite-Mn 0.1627E-11 -11.789 0.1154E-08 -8.938 0.1460E-05 0.3677E-09 quartz 0.1315E-02 -2.881 0.7900E-01 -1.102 99.98 0.2983E-01 Partial press. Fugacity coef Log fugacity Gas or Mineral Mole fraction or activity Activity coef Log activity H2O,gas 0.9587E+00 0.4330E+02 0.8449 1.563 CO2,gas 0.3863E-01 0.1745E+01 0.9887 0.237 CH4,gas 0.7516E-03 0.3395E-01 1.1534 -1.407 H2,gas 0.9592E-03 0.4333E-01 1.0170 -1.356 H2S,gas 0.9459E-03 0.4272E-01 0.9405 -1.396 CO,gas 0.5669E-06 0.2561E-04 1.0000 -4.592 SO2,gas 0.7582E-13 0.3425E-11 1.0000 -11.465 HF,gas 0.3898E-07 0.1761E-05 1.0000 -5.754 HCl,gas 0.3806E-09 0.1719E-07 1.0000 -7.765 Hg,gas 0.8816E-09 0.3982E-07 1.0000 -7.400 clinochlore 0.9509E+00 0.9509E+00 1.0000 -0.022 daphnite 0.4900E-01 0.4900E-01 1.0000 -1.310 chlorite-Mn 0.6439E-04 0.6439E-04 1.0000 -4.191 quartz 0.1000E+01 0.1000E+01 1.0000 0.000 Current weight percent of gas: 7.833454 % Solid products produced: Mass = 0.079015 g Volume = 0.029839 cm3 WARNING: mineral volume may be in error because some mineral densities were not supplied in SOLTHERM. See mineral list in file Skip_Species.txt. NON-Ideal mixing with H2O, CO2, CH4 Gases ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ The following gases and minerals are presently in matrix or were just added Gas or Mineral Log K Log Q Log(Q/K) Log(Q/K)/S Affinity Log Fugacity 1 H2O,gas 0.09 0.09 -0.00 -0.000 0.11193E-08 2 CO2,gas -8.12 -8.12 0.00 0.000 -0.39140E-09 3 CH4,gas 4.91 4.91 0.00 0.000 -0.10817E-08 4 H2,gas 5.86 5.86 0.00 0.000 -0.98925E-10 5 H2S,gas -7.09 -7.09 -0.00 -0.000 0.34194E-09 6 CO,gas -0.45 -0.45 -0.00 -0.000 0.32258E-11 7 SO2,gas -5.56 -5.56 -0.00 -0.000 0.43011E-11 8 HF,gas -3.05 -3.05 -0.00 -0.000 0.21505E-11 9 HCl,gas 1.08 1.08 0.00 0.000 0.00000E+00 10 Hg,gas -8.61 -8.61 0.00 0.000 -0.43011E-11 43 clinochlore 14.91 14.91 0.00 0.000 -0.12903E-10 44 daphnite 7.26 7.26 0.00 0.000 -0.32258E-10 45 chlorite-Mn 23.14 23.14 0.00 0.000 -0.43011E-10 146 quartz -2.16 -2.16 0.00 0.000 0.00000E+00 The following gases and minerals are presently EXCLUDED from matrix (Gases and minerals with log(Q/K) less than -5 are not listed below) Gas or Mineral Log K Log Q Log(Q/K) Log(Q/K)/S Affinity Log Fugacity 11 acmite 4.84 1.90 -2.94 -0.305 0.71143E+04 15 albite-high -3.39 -4.45 -1.06 -0.082 0.25742E+04 16 albite -3.89 -4.45 -0.56 -0.043 0.13654E+04 20 analcite -0.99 -2.30 -1.31 -0.145 0.31628E+04 21 andalusite -5.18 -8.13 -2.95 -0.295 0.71363E+04 22 andradite 22.88 19.73 -3.15 -0.164 0.76331E+04 23 grossular 13.34 11.34 -2.00 -0.100 0.48363E+04 24 anhydrite -8.61 -13.60 -4.99 -2.494 0.12076E+05 25 ankerite -6.22 -8.53 -2.31 -0.385 0.55862E+04 26 annite 7.10 2.56 -4.54 -0.252 0.10982E+05 27 phlogopite 12.34 11.02 -1.32 -0.074 0.32048E+04 29 anorthite -0.74 -2.36 -1.62 -0.124 0.39141E+04 32 aragonite -1.24 -1.61 -0.37 -0.123 0.89622E+03 33 brucite 8.14 5.45 -2.69 -0.539 0.65209E+04 34 calcite -1.40 -1.61 -0.22 -0.073 0.52912E+03 35 carnegieite-low 2.92 -0.14 -3.06 -0.437 0.74097E+04 36 carnegieite-high 3.44 -0.14 -3.58 -0.511 0.86622E+04 37 carpholite-Mg -2.47 -4.84 -2.37 -0.158 0.57349E+04 38 carpholite-Fe -3.90 -7.66 -3.76 -0.251 0.91036E+04 39 celadonite 0.16 -2.04 -2.19 -0.129 0.53142E+04 40 celadonite-Fe -1.12 -4.86 -3.73 -0.220 0.90394E+04 41 chrysotile 14.15 12.03 -2.11 -0.176 0.51182E+04 46 chlorite-Al-free 28.02 24.07 -3.95 -0.165 0.95759E+04 47 chloritoid-Mg 0.12 -2.68 -2.80 -0.187 0.67809E+04 48 chloritoid-Fe -2.66 -5.50 -2.84 -0.189 0.68798E+04 49 chloritoid-Mn -0.45 -5.21 -4.76 -0.317 0.11515E+05 51 coesite -1.70 -2.16 -0.46 -0.152 0.11025E+04 56 corundum -2.75 -5.98 -3.23 -0.294 0.78212E+04 58 cristobalite -1.95 -2.16 -0.21 -0.069 0.50171E+03 61 cymrite-K -1.86 -5.33 -3.47 -0.289 0.84077E+04 63 diaspore -1.76 -2.99 -1.23 -0.204 0.29673E+04 64 diamond -1.83 -3.85 -2.01 -0.575 0.48748E+04 65 diopside 9.45 9.06 -0.39 -0.039 0.93569E+03 66 hedenbergite 7.92 6.25 -1.68 -0.168 0.40636E+04 67 dolomite,ordered -4.20 -5.71 -1.51 -0.251 0.36495E+04 68 eastonite 6.04 1.75 -4.29 -0.165 0.10391E+05 69 enstatite 9.27 6.59 -2.69 -0.269 0.65125E+04 70 clinoenstatite-HiP 10.06 6.59 -3.47 -0.347 0.84024E+04 71 clinoenstatite 9.21 6.59 -2.63 -0.263 0.63573E+04 72 protoenstatite 9.60 6.59 -3.01 -0.301 0.72987E+04 73 epidote 6.34 4.62 -1.73 -0.084 0.41780E+04 74 clinozoisite 2.28 0.42 -1.86 -0.084 0.44969E+04 75 epidote-Fe 12.81 8.81 -4.00 -0.208 0.96750E+04 76 fayalite 6.86 3.11 -3.75 -0.536 0.90838E+04 77 ferrosilite 4.81 0.95 -3.86 -0.386 0.93558E+04 78 forsterite 11.92 8.74 -3.18 -0.455 0.77068E+04 81 gibbsite -0.39 -2.99 -2.60 -0.371 0.62876E+04 82 glaucophane 6.67 3.13 -3.54 -0.096 0.85755E+04 84 goethite 3.31 1.21 -2.10 -0.454 0.50827E+04 85 graphite -2.21 -3.85 -1.64 -0.467 0.39612E+04 86 greenalite 8.38 3.58 -4.80 -0.400 0.11619E+05 88 halite 0.88 -3.33 -4.22 -2.109 0.10214E+05 89 hematite 5.70 2.41 -3.29 -0.398 0.79599E+04 90 heulandite -12.30 -13.14 -0.84 -0.038 0.20319E+04 94 jadeite -0.11 -2.30 -2.19 -0.219 0.52995E+04 96 kalsilite 2.09 -1.02 -3.11 -0.444 0.75336E+04 97 kaolinite -8.03 -10.29 -2.26 -0.205 0.54604E+04 98 kyanite -5.13 -8.13 -3.00 -0.300 0.72733E+04 100 laumontite -5.53 -6.67 -1.14 -0.076 0.27586E+04 101 lawsonite -0.74 -2.36 -1.62 -0.108 0.39313E+04 102 leucite -0.69 -3.17 -2.49 -0.249 0.60224E+04 104 lizardite 13.90 12.03 -1.86 -0.155 0.45102E+04 105 magnesite -2.16 -4.09 -1.93 -0.643 0.46735E+04 106 magnetite 9.44 5.04 -4.40 -0.359 0.10647E+05 107 minnesotaite 3.55 -0.73 -4.28 -0.252 0.10369E+05 108 minnesotaite-Mg 11.05 7.72 -3.33 -0.196 0.80665E+04 112 margarite -5.03 -8.34 -3.30 -0.132 0.79967E+04 115 microcline -5.02 -5.33 -0.31 -0.024 0.75322E+03 116 monticellite 15.14 11.22 -3.92 -0.560 0.94872E+04 118 mullite-Si -3.72 -8.13 -4.41 -0.441 0.10674E+05 119 muscovite -9.25 -11.31 -2.06 -0.121 0.49845E+04 120 paragonite -8.29 -10.43 -2.13 -0.125 0.51650E+04 121 nepheline 2.41 -0.14 -2.55 -0.364 0.61664E+04 126 periclase 9.96 5.45 -4.51 -1.128 0.10924E+05 127 periclase-Fe 6.64 2.63 -4.01 -1.002 0.97084E+04 133 phlogopite-Na 13.83 11.89 -1.93 -0.107 0.46762E+04 135 prehnite 4.51 3.41 -1.10 -0.065 0.26707E+04 136 prehnite-Fe 9.33 7.61 -1.72 -0.104 0.41724E+04 137 pumpellyite-Fe 10.57 6.47 -4.10 -0.091 0.99322E+04 138 pumpellyite-Mg 12.55 9.28 -3.27 -0.073 0.79159E+04 140 px-Ca-tschermaks 3.84 -0.20 -4.05 -0.289 0.98035E+04 141 pyrite -19.61 -20.50 -0.88 -0.207 0.21320E+04 142 pyrrhotite -5.99 -7.51 -1.52 -0.507 0.36862E+04 143 pyrrhotiteFe0.875 -7.12 -8.19 -1.07 -0.394 0.25962E+04 144 pyroxmangite 4.29 0.77 -3.52 -0.705 0.85291E+04 145 pyrophyllite -12.26 -14.60 -2.34 -0.146 0.56626E+04 149 ringwoodite-Fe 8.05 3.11 -4.94 -0.706 0.11968E+05 151 rhodochrosite -2.79 -6.62 -3.82 -1.274 0.92561E+04 152 rhodonite 4.31 0.77 -3.54 -0.707 0.85635E+04 153 sanidine -4.17 -5.33 -1.16 -0.090 0.28190E+04 155 siderite -4.55 -6.91 -2.36 -0.788 0.57262E+04 156 sillimanite -5.04 -8.13 -3.09 -0.309 0.74820E+04 163 stilbite -11.12 -13.14 -2.02 -0.096 0.48978E+04 165 stilpnomelane-Mg 7.06 6.08 -0.98 -0.029 0.23667E+04 166 stishovite 2.13 -2.16 -4.29 -1.429 0.10383E+05 168 sudoite -2.64 -7.52 -4.88 -0.157 0.11811E+05 169 sulfur -8.82 -12.99 -4.17 -1.283 0.10094E+05 171 talc 8.23 7.72 -0.51 -0.030 0.12290E+04 173 talc-tschermaks 2.64 -1.55 -4.18 -0.246 0.10132E+05 178 topaz-H -4.27 -8.13 -3.86 -0.351 0.93395E+04 179 tridymite -1.97 -2.16 -0.18 -0.061 0.44520E+03 180 tremolite 26.32 25.85 -0.47 -0.013 0.11293E+04 182 troilite-low -6.01 -7.51 -1.50 -0.500 0.36343E+04 183 tschermakite 12.01 7.31 -4.70 -0.127 0.11369E+05 186 wadsleyite-Fe 8.09 3.11 -4.98 -0.712 0.12061E+05 188 wairakite -5.98 -6.67 -0.69 -0.041 0.16737E+04 189 walstromite 7.50 5.77 -1.73 -0.346 0.41899E+04 190 wollastonite 6.78 5.77 -1.01 -0.201 0.24367E+04 191 pseudo-wollastonite 7.08 5.77 -1.31 -0.263 0.31797E+04 192 zoisite 2.31 0.42 -1.89 -0.086 0.45741E+04 193 beidellite-Ca -10.64 -13.57 -2.92 -0.181 0.70771E+04 194 beidellite-H -10.95 -14.87 -3.92 -0.250 0.95018E+04 195 beidellite-K -10.00 -13.51 -3.51 -0.215 0.84939E+04 196 beidellite-Mg -10.89 -13.98 -3.09 -0.191 0.74781E+04 197 beidellite-Na -9.96 -13.22 -3.27 -0.200 0.79069E+04 198 bornite -67.69 -68.27 -0.57 -0.043 0.13839E+04 200 chalcedony -2.02 -2.16 -0.13 -0.044 0.32039E+03 201 chalcocite -20.06 -21.71 -1.64 -0.411 0.39761E+04 202 covellite -15.20 -17.35 -2.14 -0.817 0.51912E+04 204 montmorillonite-Ca -8.74 -10.51 -1.76 -0.109 0.42732E+04 205 montmorillonite-K -8.23 -10.45 -2.22 -0.136 0.53757E+04 206 montmorillonite-Mg -9.01 -10.92 -1.91 -0.118 0.46252E+04 207 montmorillonite-Na -8.09 -10.16 -2.07 -0.127 0.50169E+04 209 nontronite-Ca -1.69 -5.18 -3.48 -0.226 0.84327E+04 210 nontronite-H -2.01 -6.48 -4.48 -0.300 0.10845E+05 211 nontronite-K -1.06 -5.12 -4.07 -0.261 0.98471E+04 212 nontronite-Mg -1.93 -5.59 -3.65 -0.237 0.88410E+04 213 nontronite-Na -1.01 -4.83 -3.83 -0.246 0.92646E+04 215 topaz -24.24 -29.05 -4.81 -0.535 0.11656E+05 229 tobermorite 8.07 4.45 -3.63 -0.989 0.87799E+04 235 alabandite -3.26 -7.21 -3.96 -1.320 0.95848E+04 240 boehmite -0.93 -2.99 -2.06 -0.343 0.49894E+04 242 chalcopyrite -24.32 -24.85 -0.54 -0.100 0.13060E+04 245 copper,native -0.89 -4.36 -3.47 -1.206 0.83921E+04 246 dolomite,disordered -3.89 -5.71 -1.82 -0.303 0.44025E+04 247 ferrous-oxide 5.30 2.63 -2.67 -0.668 0.64736E+04 248 fluorite -11.67 -12.99 -1.32 -0.441 0.32041E+04 249 galena -10.09 -10.70 -0.62 -0.205 0.14920E+04 257 silica-amorphous -1.66 -2.16 -0.49 -0.165 0.11968E+04 260 sphalerite -10.16 -11.58 -1.43 -0.475 0.34504E+04 261 wurtzite -8.87 -11.58 -2.71 -0.904 0.65686E+04 263 an20ab80 -3.48 -4.03 -0.56 -0.043 0.13498E+04 264 an25ab75 -3.35 -3.93 -0.58 -0.045 0.14108E+04 265 an30ab70 -3.21 -3.82 -0.61 -0.047 0.14885E+04 266 tr.625ac.25prg.125 22.09 21.69 -0.40 -0.011 0.97029E+03 271 FeS-amorphous -4.18 -7.51 -3.33 -1.111 0.80705E+04 Calculations done for 256.0000 Deg. C; 45.1694 bar Enthalpies: Pure water 4.7969 kcal/mole H2O,gas 11.9985 kcal/mole CO2,gas 3.5816 kcal/mole CH4,gas 3.5087 kcal/mole Current solution 247.8870 Gas 48.6435 kcal Total current enthalpy 296.5306 kcal Starting enthalpy 296.5306 kcal Temperature changed by -2.000 degrees to 254.000 degrees C. Solids and gases carried ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ Test file for CHIM-XPT. Boil Broadlands Water Water similar to Broadlands Well No. 2 CHIMRUN demo-2a ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ Number of loops used = 15 Loop limit = 200 Temperature = 254.00 C Pressure = 43.57 bar Mixer fraction = 0.0000000 Total current enthalpy = 296.5306 KCAL Water: Moles liquid = 0.5138E+02 kg liquid = 0.9256E+00 Moles total = 0.5551E+02 kg total = 0.1000E+01 Activity = 0.9997 Stoichiometric ionic strength = .4472135E-01 Osmotic coef. = 0.8938 True ionic strength = .3441035E-01 Chg. balance for total moles = 0.2402E-07 Max. difference allowed = 0.3072E-05 Log Log Log Species(n) Molality Molality Activity Activity Gamma Gamma 1 H+ 0.28046E-06 -6.5521 0.19952E-06 -6.7000 0.71138E+00 -0.1479 2 H2O 0.99968E+00 -0.0001 0.99968E+00 -0.0001 3 Cl- 0.31601E-01 -1.5003 0.22147E-01 -1.6547 0.70083E+00 -0.1544 4 SO4-- 0.29677E-07 -7.5276 0.78850E-08 -8.1032 0.26569E+00 -0.5756 5 HCO3- 0.19587E-02 -2.7080 0.13817E-02 -2.8596 0.70541E+00 -0.1516 6 HS- 0.50053E-03 -3.3006 0.35103E-03 -3.4547 0.70132E+00 -0.1541 7 H4SiO4 0.68578E-02 -2.1638 0.68578E-02 -2.1638 0.10000E+01 0.0000 8 Al+++ 0.18149E-21 -21.7412 0.89946E-23 -23.0460 0.49561E-01 -1.3049 9 Ca++ 0.14884E-04 -4.8273 0.38607E-05 -5.4133 0.25939E+00 -0.5861 10 Mg++ 0.47808E-07 -7.3205 0.12175E-07 -7.9145 0.25466E+00 -0.5940 11 Fe++ 0.69853E-10 -10.1558 0.17870E-10 -10.7479 0.25582E+00 -0.5921 12 K+ 0.39774E-02 -2.4004 0.28108E-02 -2.5512 0.70668E+00 -0.1508 13 Na+ 0.30365E-01 -1.5176 0.21290E-01 -1.6718 0.70113E+00 -0.1542 14 Mn++ 0.15548E-09 -9.8083 0.39911E-10 -10.3989 0.25669E+00 -0.5906 15 Zn++ 0.66931E-14 -14.1744 0.17123E-14 -14.7664 0.25582E+00 -0.5921 16 Cu+ 0.44876E-12 -12.3480 0.31457E-12 -12.5023 0.70097E+00 -0.1543 17 Pb++ 0.47351E-13 -13.3247 0.12421E-13 -13.9059 0.26231E+00 -0.5812 18 Hg++ 0.40936E-33 -33.3879 0.10681E-33 -33.9714 0.26093E+00 -0.5835 19 F- 0.24250E-03 -3.6153 0.16788E-03 -3.7750 0.69229E+00 -0.1597 21 HSiO3- 0.40385E-04 -4.3938 0.28303E-04 -4.5482 0.70083E+00 -0.1544 22 Ca(HSiO3)+ 0.11983E-06 -6.9214 0.84750E-07 -7.0719 0.70727E+00 -0.1504 23 Mg(HSiO3)+ 0.25884E-09 -9.5870 0.18307E-09 -9.7374 0.70727E+00 -0.1504 24 NaHSiO3,aq 0.85267E-05 -5.0692 0.85267E-05 -5.0692 0.10000E+01 0.0000 27 HAlO2,aq 0.78878E-08 -8.1030 0.78878E-08 -8.1030 0.10000E+01 0.0000 28 AlO2- 0.23688E-05 -5.6255 0.16431E-05 -5.7843 0.69364E+00 -0.1589 29 CH4,aq 0.82778E-04 -4.0821 0.81694E-04 -4.0878 0.98691E+00 -0.0057 34 CO,aq 0.71618E-07 -7.1450 0.71618E-07 -7.1450 0.10000E+01 0.0000 35 CO2,aq 0.16168E-01 -1.7913 0.15957E-01 -1.7971 0.98691E+00 -0.0057 36 CO3-2 0.32247E-06 -6.4915 0.85013E-07 -7.0705 0.26363E+00 -0.5790 37 CaCO3,aq 0.75943E-06 -6.1195 0.75943E-06 -6.1195 0.10000E+01 0.0000 38 Ca(HCO3)+ 0.91722E-05 -5.0375 0.64872E-05 -5.1879 0.70727E+00 -0.1504 39 CaCl+ 0.10234E-04 -4.9900 0.72383E-05 -5.1404 0.70727E+00 -0.1504 40 CaCl2,aq 0.14777E-06 -6.8304 0.14777E-06 -6.8304 0.10000E+01 0.0000 41 CaF+ 0.81326E-06 -6.0898 0.57520E-06 -6.2402 0.70727E+00 -0.1504 42 CaOH+ 0.23437E-05 -5.6301 0.16576E-05 -5.7805 0.70727E+00 -0.1504 43 CaSO4,aq 0.49756E-09 -9.3032 0.49756E-09 -9.3032 0.10000E+01 0.0000 44 HCl,aq 0.12218E-07 -7.9130 0.12218E-07 -7.9130 0.10000E+01 0.0000 53 CuCl,aq 0.69933E-10 -10.1553 0.69933E-10 -10.1553 0.10000E+01 0.0000 54 CuCl2- 0.48085E-10 -10.3180 0.33699E-10 -10.4724 0.70083E+00 -0.1544 61 HF,aq 0.10292E-04 -4.9875 0.10292E-04 -4.9875 0.10000E+01 0.0000 62 HF2- 0.73638E-09 -9.1329 0.51608E-09 -9.2873 0.70083E+00 -0.1544 64 FeCl+ 0.30514E-10 -10.5155 0.21582E-10 -10.6659 0.70727E+00 -0.1504 69 FeO,aq 0.71927E-09 -9.1431 0.71927E-09 -9.1431 0.10000E+01 0.0000 70 FeOH+ 0.61384E-09 -9.2119 0.43416E-09 -9.3624 0.70727E+00 -0.1504 71 HFeO2- 0.19136E-09 -9.7182 0.13411E-09 -9.8725 0.70083E+00 -0.1544 74 FeO2- 0.18211E-09 -9.7397 0.12763E-09 -9.8941 0.70083E+00 -0.1544 75 HFeO2,aq 0.65008E-10 -10.1870 0.65008E-10 -10.1870 0.10000E+01 0.0000 76 H2,aq 0.10616E-03 -3.9741 0.10477E-03 -3.9798 0.98691E+00 -0.0057 77 Hg,aq 0.30070E-09 -9.5219 0.29676E-09 -9.5276 0.98691E+00 -0.0057 90 KCl,aq 0.36354E-04 -4.4394 0.36354E-04 -4.4394 0.10000E+01 0.0000 92 KOH,aq 0.40393E-06 -6.3937 0.40393E-06 -6.3937 0.10000E+01 0.0000 93 KSO4- 0.92324E-08 -8.0347 0.64703E-08 -8.1891 0.70083E+00 -0.1544 94 MgCO3,aq 0.26180E-09 -9.5820 0.26180E-09 -9.5820 0.10000E+01 0.0000 95 Mg(HCO3)+ 0.26042E-07 -7.5843 0.18419E-07 -7.7347 0.70727E+00 -0.1504 96 MgCl+ 0.15215E-07 -7.8177 0.10761E-07 -7.9681 0.70727E+00 -0.1504 97 MgF+ 0.69021E-08 -8.1610 0.48817E-08 -8.3114 0.70727E+00 -0.1504 98 MgOH+ 0.22810E-07 -7.6419 0.16133E-07 -7.7923 0.70727E+00 -0.1504 101 MnO,aq 0.46977E-10 -10.3281 0.46977E-10 -10.3281 0.10000E+01 0.0000 102 MnOH+ 0.20407E-09 -9.6902 0.14433E-09 -9.8406 0.70727E+00 -0.1504 107 MnCl+ 0.13752E-08 -8.8616 0.97263E-09 -9.0121 0.70727E+00 -0.1504 109 NaCl,aq 0.15403E-02 -2.8124 0.15403E-02 -2.8124 0.10000E+01 0.0000 110 NaF,aq 0.97129E-05 -5.0127 0.97129E-05 -5.0127 0.10000E+01 0.0000 111 NaOH,aq 0.19557E-05 -5.7087 0.19557E-05 -5.7087 0.10000E+01 0.0000 113 OH- 0.49068E-04 -4.3092 0.34035E-04 -4.4681 0.69364E+00 -0.1589 122 PbO,aq 0.11082E-10 -10.9554 0.11082E-10 -10.9554 0.10000E+01 0.0000 124 Pb(HS)2,aq 0.11577E-07 -7.9364 0.11577E-07 -7.9364 0.10000E+01 0.0000 125 Pb(HS)3- 0.23636E-09 -9.6264 0.16565E-09 -9.7808 0.70083E+00 -0.1544 126 H2S,aq 0.12814E-02 -2.8923 0.12646E-02 -2.8981 0.98691E+00 -0.0057 127 S2-2 0.14083E-09 -9.8513 0.37126E-10 -10.4303 0.26363E+00 -0.5790 134 HSO3- 0.21938E-10 -10.6588 0.15375E-10 -10.8132 0.70083E+00 -0.1544 135 HSO4- 0.47510E-09 -9.3232 0.33704E-09 -9.4723 0.70941E+00 -0.1491 154 ZnOH+ 0.81768E-10 -10.0874 0.57832E-10 -10.2378 0.70727E+00 -0.1504 159 AlF3,aq 0.50851E-09 -9.2937 0.50851E-09 -9.2937 0.10000E+01 0.0000 160 AlF4- 0.66126E-09 -9.1796 0.46343E-09 -9.3340 0.70083E+00 -0.1544 161 AlF5-- 0.12220E-10 -10.9129 0.32216E-11 -11.4919 0.26363E+00 -0.5790 164 Cu(HS)2- 0.67207E-07 -7.1726 0.47101E-07 -7.3270 0.70083E+00 -0.1544 166 CuH4S3-b 0.51186E-10 -10.2908 0.35873E-10 -10.4452 0.70083E+00 -0.1544 180 MnCl2,aq 0.96651E-09 -9.0148 0.96651E-09 -9.0148 0.10000E+01 0.0000 181 MnCl3- 0.15478E-09 -9.8103 0.10847E-09 -9.9647 0.70083E+00 -0.1544 182 MnCO3,aq 0.42074E-10 -10.3760 0.42074E-10 -10.3760 0.10000E+01 0.0000 183 NaCO3- 0.16139E-06 -6.7921 0.11311E-06 -6.9465 0.70083E+00 -0.1544 184 NaHCO3,aq 0.70022E-04 -4.1548 0.70022E-04 -4.1548 0.10000E+01 0.0000 185 NaHS,aq 0.17790E-04 -4.7498 0.17790E-04 -4.7498 0.10000E+01 0.0000 186 NaSO4- 0.13419E-07 -7.8723 0.94047E-08 -8.0267 0.70083E+00 -0.1544 187 PbCO3,aq 0.10438E-09 -9.9814 0.10438E-09 -9.9814 0.10000E+01 0.0000 188 PbOH+ 0.47558E-10 -10.3228 0.33637E-10 -10.4732 0.70727E+00 -0.1504 189 PbH4S3,aq 0.13588E-10 -10.8668 0.13588E-10 -10.8668 0.10000E+01 0.0000 193 Zn(HS)2,aq 0.16189E-07 -7.7908 0.16189E-07 -7.7908 0.10000E+01 0.0000 194 Zn(HS)3- 0.24469E-09 -9.6114 0.17149E-09 -9.7658 0.70083E+00 -0.1544 Charge balance for all species = 0.2595E-07 Component Molality Aq.molality ppm log[A(N)/A(H+)**Z] (total) 1 H+ 0.2804617E-06 0.1732017E-01 0.1739444E+02 0.0000 2 H2O 0.1000000E+01 0.5549228E+02 0.9960881E+06 0.0000 3 Cl- 0.3160054E-01 0.3318780E-01 0.1172344E+04 5.0453 4 SO4-- 0.2967746E-07 -.1092813E-03 -.1045971E+02 5.2969 5 HCO3- 0.1958709E-02 0.1829032E-01 0.1111981E+04 3.8404 6 HS- 0.5005263E-03 0.1909193E-02 0.6291207E+02 3.2454 7 H4SiO4 0.6857775E-02 0.6906807E-02 0.6614454E+03 -2.1638 8 Al+++ 0.1814851E-21 0.2377925E-05 0.6392752E-01 -2.9460 9 Ca++ 0.1488403E-04 0.3847474E-04 0.1536404E+01 7.9867 10 Mg++ 0.4780775E-07 0.1193016E-06 0.2889952E-02 5.4855 11 Fe++ 0.6985282E-10 0.1878588E-08 0.1045334E-03 2.6522 12 K+ 0.3977400E-02 0.4014168E-02 0.1563933E+03 4.1488 13 Na+ 0.3036478E-01 0.3201331E-01 0.7333130E+03 5.0282 14 Mn++ 0.1554826E-09 0.2950526E-08 0.1615087E-03 3.0011 15 Zn++ 0.6693074E-14 0.1652899E-07 0.1076585E-02 -1.3664 16 Cu+ 0.4487640E-12 0.6738437E-07 0.4266091E-02 -5.8023 17 Pb++ 0.4735056E-13 0.1199162E-07 0.2475542E-02 -0.5058 18 Hg++ 0.4093598E-33 0.3021643E-09 0.6039154E-04 -20.5713 19 F- 0.2424995E-03 0.2633304E-03 0.4984626E+01 2.9250 Component Tot moles Aq. moles Solid moles Gas moles 1 H+ 0.1822172E+00 0.1603235E-01 -.4205021E-06 0.1661853E+00 2 H2O 0.5550825E+02 0.5136623E+02 -.2923854E-02 0.4144949E+01 3 Cl- 0.3072017E-01 0.3072017E-01 0.0000000E+00 0.1528473E-08 4 SO4-- -.4257700E-02 -.1011559E-03 0.0000000E+00 -.4156544E-02 5 HCO3- 0.1832100E+00 0.1693037E-01 0.0000000E+00 0.1662796E+00 6 HS- 0.9985820E-02 0.1767238E-02 0.0000000E+00 0.8218582E-02 7 H4SiO4 0.7855346E-02 0.6393261E-02 0.1462085E-02 0.0000000E+00 8 Al+++ 0.2253680E-05 0.2201117E-05 0.5256277E-07 0.0000000E+00 9 Ca++ 0.3561400E-04 0.3561400E-04 0.0000000E+00 0.0000000E+00 10 Mg++ 0.2355503E-06 0.1104311E-06 0.1251192E-06 0.0000000E+00 11 Fe++ 0.8017372E-08 0.1738908E-08 0.6278464E-08 0.0000000E+00 12 K+ 0.3715700E-02 0.3715700E-02 0.0000000E+00 0.0000000E+00 13 Na+ 0.2963300E-01 0.2963300E-01 0.0000000E+00 0.0000000E+00 14 Mn++ 0.2740424E-08 0.2731144E-08 0.9280047E-11 0.0000000E+00 15 Zn++ 0.1530000E-07 0.1530000E-07 0.0000000E+00 0.0000000E+00 16 Cu+ 0.6237410E-07 0.6237410E-07 0.0000000E+00 0.0000000E+00 17 Pb++ 0.1110000E-07 0.1110000E-07 0.0000000E+00 0.0000000E+00 18 Hg++ 0.4000000E-08 0.2796973E-09 0.0000000E+00 0.3720303E-08 19 F- 0.2439100E-03 0.2437508E-03 0.0000000E+00 0.1591754E-06 Chg. balance for solid moles: 0.4967E-17 Mass of aqueous solution: 0.929012E+03 g Temperature = 254.00 C Pressure = 43.57 bar Mixer frac. = 0.0000000 Log Log Vol Gas or mineral Moles Moles Grams Grams Wt.% (cm3) H2O,gas 4.301 0.634 77.46 1.889 91.30 3512. CO2,gas 0.1632 -0.787 7.181 0.856 8.465 174.6 CH4,gas 0.3107E-02 -2.508 0.4984E-01 -1.302 0.5875E-01 3.687 H2,gas 0.4195E-02 -2.377 0.8475E-02 -2.072 0.9990E-02 4.289 H2S,gas 0.4062E-02 -2.391 0.1384 -0.859 0.1632 3.849 CO,gas 0.2251E-05 -5.648 0.6305E-04 -4.200 0.7432E-04 0.2264E-02 SO2,gas 0.3052E-12 -12.515 0.1955E-10 -10.709 0.2305E-10 0.3070E-09 HF,gas 0.1592E-06 -6.798 0.3184E-05 -5.497 0.3753E-05 0.1601E-03 HCl,gas 0.1528E-08 -8.816 0.5573E-07 -7.254 0.6569E-07 0.1538E-05 Hg,gas 0.3720E-08 -8.429 0.7463E-06 -6.127 0.8796E-06 0.3742E-05 clinochlore 0.2502E-07 -7.602 0.1391E-04 -4.857 0.1583E-01 0.5291E-05 daphnite 0.1256E-08 -8.901 0.8959E-06 -6.048 0.1020E-02 0.2715E-06 chlorite-Mn 0.1856E-11 -11.731 0.1316E-08 -8.881 0.1498E-05 0.4193E-09 quartz 0.1462E-02 -2.835 0.8784E-01 -1.056 99.98 0.3317E-01 Partial press. Fugacity coef Log fugacity Gas or Mineral Mole fraction or activity Activity coef Log activity H2O,gas 0.9610E+00 0.4187E+02 0.8480 1.550 CO2,gas 0.3646E-01 0.1589E+01 0.9904 0.197 CH4,gas 0.6943E-03 0.3025E-01 1.1505 -1.458 H2,gas 0.9375E-03 0.4085E-01 1.0165 -1.382 H2S,gas 0.9076E-03 0.3955E-01 0.9417 -1.429 CO,gas 0.5029E-06 0.2191E-04 1.0000 -4.659 SO2,gas 0.6819E-13 0.2971E-11 1.0000 -11.527 HF,gas 0.3557E-07 0.1550E-05 1.0000 -5.810 HCl,gas 0.3415E-09 0.1488E-07 1.0000 -7.827 Hg,gas 0.8313E-09 0.3622E-07 1.0000 -7.441 clinochlore 0.9522E+00 0.9522E+00 1.0000 -0.021 daphnite 0.4778E-01 0.4778E-01 1.0000 -1.321 chlorite-Mn 0.7062E-04 0.7062E-04 1.0000 -4.151 quartz 0.1000E+01 0.1000E+01 1.0000 0.000 Current weight percent of gas: 8.366969 % Solid products produced: Mass = 0.087852 g Volume = 0.033177 cm3 WARNING: mineral volume may be in error because some mineral densities were not supplied in SOLTHERM. See mineral list in file Skip_Species.txt. NON-Ideal mixing with H2O, CO2, CH4 Gases ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ The following gases and minerals are presently in matrix or were just added Gas or Mineral Log K Log Q Log(Q/K) Log(Q/K)/S Affinity Log Fugacity 1 H2O,gas 0.09 0.09 -0.00 -0.000 0.79902E-09 2 CO2,gas -8.12 -8.12 0.00 0.000 -0.27423E-09 3 CH4,gas 4.89 4.89 0.00 0.000 -0.77127E-09 4 H2,gas 5.86 5.86 0.00 0.000 -0.68557E-10 5 H2S,gas -7.09 -7.09 -0.00 -0.000 0.24424E-09 6 CO,gas -0.42 -0.42 -0.00 -0.000 0.26780E-11 7 SO2,gas -5.50 -5.50 -0.00 -0.000 0.64273E-11 8 HF,gas -3.03 -3.03 0.00 0.000 0.00000E+00 9 HCl,gas 1.11 1.11 -0.00 -0.000 0.10712E-11 10 Hg,gas -8.65 -8.65 -0.00 -0.000 0.42848E-11 43 clinochlore 15.15 15.15 -0.00 -0.000 0.17139E-10 44 daphnite 7.48 7.48 0.00 0.000 -0.23567E-10 45 chlorite-Mn 23.38 23.38 0.00 0.000 -0.85697E-11 146 quartz -2.16 -2.16 0.00 0.000 0.00000E+00 The following gases and minerals are presently EXCLUDED from matrix (Gases and minerals with log(Q/K) less than -5 are not listed below) Gas or Mineral Log K Log Q Log(Q/K) Log(Q/K)/S Affinity Log Fugacity 11 acmite 4.87 1.93 -2.93 -0.305 0.70732E+04 15 albite-high -3.35 -4.41 -1.06 -0.082 0.25649E+04 16 albite -3.85 -4.41 -0.56 -0.043 0.13480E+04 20 analcite -0.95 -2.25 -1.30 -0.144 0.31360E+04 21 andalusite -5.08 -8.06 -2.98 -0.298 0.71842E+04 22 andradite 23.05 19.94 -3.11 -0.162 0.75014E+04 23 grossular 13.54 11.58 -1.96 -0.098 0.47276E+04 24 anhydrite -8.56 -13.52 -4.96 -2.479 0.11959E+05 25 ankerite -6.16 -8.48 -2.32 -0.387 0.56054E+04 26 annite 7.23 2.67 -4.56 -0.253 0.11004E+05 27 phlogopite 12.49 11.17 -1.32 -0.073 0.31792E+04 29 anorthite -0.60 -2.23 -1.63 -0.125 0.39290E+04 32 aragonite -1.21 -1.57 -0.36 -0.120 0.87177E+03 33 brucite 8.18 5.49 -2.70 -0.540 0.65086E+04 34 calcite -1.36 -1.57 -0.21 -0.070 0.50574E+03 35 carnegieite-low 2.98 -0.08 -3.06 -0.438 0.73900E+04 36 carnegieite-high 3.50 -0.08 -3.59 -0.512 0.86495E+04 37 carpholite-Mg -2.36 -4.73 -2.38 -0.159 0.57382E+04 38 carpholite-Fe -3.79 -7.57 -3.78 -0.252 0.91229E+04 39 celadonite 0.21 -1.97 -2.18 -0.128 0.52565E+04 40 celadonite-Fe -1.07 -4.80 -3.73 -0.220 0.90019E+04 41 chrysotile 14.24 12.13 -2.11 -0.176 0.50963E+04 46 chlorite-Al-free 28.21 24.26 -3.95 -0.165 0.95256E+04 47 chloritoid-Mg 0.25 -2.57 -2.82 -0.188 0.68081E+04 48 chloritoid-Fe -2.54 -5.40 -2.87 -0.191 0.69174E+04 49 chloritoid-Mn -0.33 -5.05 -4.73 -0.315 0.11404E+05 51 coesite -1.71 -2.16 -0.46 -0.152 0.11021E+04 56 corundum -2.63 -5.89 -3.26 -0.297 0.78691E+04 58 cristobalite -1.95 -2.16 -0.21 -0.070 0.50443E+03 61 cymrite-K -1.82 -5.29 -3.47 -0.289 0.83662E+04 63 diaspore -1.71 -2.95 -1.23 -0.205 0.29729E+04 64 diamond -1.84 -3.89 -2.04 -0.584 0.49303E+04 65 diopside 9.52 9.14 -0.37 -0.037 0.89920E+03 66 hedenbergite 7.99 6.31 -1.68 -0.168 0.40436E+04 67 dolomite,ordered -4.13 -5.65 -1.51 -0.252 0.36526E+04 68 eastonite 6.27 1.95 -4.31 -0.166 0.10405E+05 69 enstatite 9.35 6.64 -2.71 -0.271 0.65344E+04 70 clinoenstatite-HiP 10.14 6.64 -3.49 -0.349 0.84240E+04 71 clinoenstatite 9.29 6.64 -2.64 -0.264 0.63791E+04 72 protoenstatite 9.68 6.64 -3.04 -0.304 0.73227E+04 73 epidote 6.53 4.82 -1.71 -0.083 0.41281E+04 74 clinozoisite 2.49 0.64 -1.85 -0.084 0.44638E+04 75 epidote-Fe 12.99 9.00 -3.98 -0.207 0.96055E+04 76 fayalite 6.93 3.14 -3.79 -0.541 0.91365E+04 77 ferrosilite 4.88 0.98 -3.90 -0.390 0.94072E+04 78 forsterite 12.01 8.81 -3.20 -0.458 0.77296E+04 81 gibbsite -0.35 -2.95 -2.60 -0.372 0.62741E+04 82 glaucophane 6.84 3.31 -3.53 -0.095 0.85088E+04 84 goethite 3.34 1.23 -2.10 -0.455 0.50773E+04 85 graphite -2.22 -3.89 -1.67 -0.476 0.40188E+04 86 greenalite 8.46 3.63 -4.83 -0.402 0.11643E+05 88 halite 0.90 -3.33 -4.23 -2.113 0.10194E+05 89 hematite 5.77 2.47 -3.31 -0.401 0.79731E+04 90 heulandite -12.23 -13.05 -0.82 -0.037 0.19803E+04 94 jadeite -0.06 -2.25 -2.18 -0.218 0.52674E+04 96 kalsilite 2.15 -0.96 -3.11 -0.444 0.75033E+04 97 kaolinite -7.96 -10.22 -2.26 -0.205 0.54494E+04 98 kyanite -5.02 -8.06 -3.03 -0.303 0.73171E+04 100 laumontite -5.44 -6.56 -1.12 -0.075 0.26960E+04 101 lawsonite -0.63 -2.23 -1.61 -0.107 0.38744E+04 102 leucite -0.64 -3.12 -2.49 -0.249 0.60003E+04 104 lizardite 13.99 12.13 -1.86 -0.155 0.44811E+04 105 magnesite -2.13 -4.07 -1.95 -0.650 0.47009E+04 106 magnetite 9.55 5.12 -4.43 -0.362 0.10689E+05 107 minnesotaite 3.62 -0.70 -4.32 -0.254 0.10417E+05 108 minnesotaite-Mg 11.15 7.80 -3.34 -0.197 0.80680E+04 112 margarite -4.80 -8.13 -3.33 -0.133 0.80227E+04 115 microcline -4.99 -5.29 -0.30 -0.023 0.72010E+03 116 monticellite 15.23 11.31 -3.92 -0.560 0.94537E+04 118 mullite-Si -3.61 -8.06 -4.45 -0.445 0.10726E+05 119 muscovite -9.12 -11.18 -2.06 -0.121 0.49711E+04 120 paragonite -8.16 -10.30 -2.14 -0.126 0.51628E+04 121 nepheline 2.47 -0.08 -2.55 -0.364 0.61469E+04 126 periclase 10.02 5.49 -4.53 -1.133 0.10935E+05 127 periclase-Fe 6.69 2.65 -4.04 -1.009 0.97365E+04 133 phlogopite-Na 13.98 12.05 -1.93 -0.107 0.46656E+04 135 prehnite 4.67 3.59 -1.08 -0.063 0.26027E+04 136 prehnite-Fe 9.47 7.77 -1.70 -0.102 0.40912E+04 137 pumpellyite-Fe 10.94 6.89 -4.05 -0.090 0.97801E+04 138 pumpellyite-Mg 12.93 9.72 -3.21 -0.071 0.77495E+04 140 px-Ca-tschermaks 4.00 -0.07 -4.07 -0.290 0.98071E+04 141 pyrite -19.60 -20.49 -0.89 -0.210 0.21540E+04 142 pyrrhotite -5.96 -7.50 -1.55 -0.515 0.37298E+04 143 pyrrhotiteFe0.875 -7.09 -8.19 -1.09 -0.402 0.26338E+04 144 pyroxmangite 4.32 0.84 -3.49 -0.697 0.84071E+04 145 pyrophyllite -12.19 -14.55 -2.35 -0.147 0.56792E+04 149 ringwoodite-Fe 8.12 3.14 -4.98 -0.712 0.12014E+05 151 rhodochrosite -2.77 -6.56 -3.79 -1.264 0.91496E+04 152 rhodonite 4.34 0.84 -3.50 -0.700 0.84420E+04 153 sanidine -4.13 -5.29 -1.15 -0.089 0.27859E+04 155 siderite -4.52 -6.91 -2.39 -0.797 0.57676E+04 156 sillimanite -4.93 -8.06 -3.12 -0.312 0.75312E+04 163 stilbite -11.07 -13.05 -1.98 -0.094 0.47703E+04 165 stilpnomelane-Mg 7.27 6.30 -0.97 -0.029 0.23293E+04 166 stishovite 2.14 -2.16 -4.30 -1.434 0.10376E+05 168 sudoite -2.40 -7.31 -4.91 -0.158 0.11841E+05 169 sulfur -8.81 -12.99 -4.19 -1.288 0.10095E+05 171 talc 8.31 7.80 -0.51 -0.030 0.12284E+04 173 talc-tschermaks 2.81 -1.41 -4.22 -0.248 0.10175E+05 178 topaz-H -4.18 -8.06 -3.88 -0.352 0.93489E+04 179 tridymite -1.98 -2.16 -0.19 -0.062 0.44763E+03 180 tremolite 26.53 26.09 -0.44 -0.012 0.10592E+04 182 troilite-low -5.98 -7.50 -1.52 -0.508 0.36752E+04 183 tschermakite 12.38 7.66 -4.72 -0.127 0.11376E+05 188 wairakite -5.88 -6.56 -0.68 -0.040 0.16520E+04 189 walstromite 7.54 5.82 -1.72 -0.344 0.41455E+04 190 wollastonite 6.81 5.82 -0.99 -0.198 0.23918E+04 191 pseudo-wollastonite 7.12 5.82 -1.30 -0.260 0.31369E+04 192 zoisite 2.53 0.64 -1.88 -0.086 0.45416E+04 193 beidellite-Ca -10.55 -13.49 -2.94 -0.182 0.70963E+04 194 beidellite-H -10.86 -14.80 -3.95 -0.252 0.95254E+04 195 beidellite-K -9.91 -13.44 -3.52 -0.216 0.85001E+04 196 beidellite-Mg -10.79 -13.90 -3.11 -0.193 0.75065E+04 197 beidellite-Na -9.86 -13.15 -3.28 -0.201 0.79168E+04 198 bornite -67.84 -68.40 -0.56 -0.042 0.13540E+04 200 chalcedony -2.03 -2.16 -0.13 -0.044 0.32053E+03 201 chalcocite -20.12 -21.76 -1.64 -0.409 0.39452E+04 202 covellite -15.23 -17.38 -2.14 -0.816 0.51680E+04 204 montmorillonite-Ca -8.67 -10.45 -1.77 -0.110 0.42808E+04 205 montmorillonite-K -8.17 -10.40 -2.23 -0.136 0.53738E+04 206 montmorillonite-Mg -8.93 -10.86 -1.92 -0.119 0.46416E+04 207 montmorillonite-Na -8.03 -10.10 -2.08 -0.127 0.50151E+04 209 nontronite-Ca -1.64 -5.13 -3.49 -0.226 0.84170E+04 210 nontronite-H -1.95 -6.45 -4.49 -0.301 0.10834E+05 211 nontronite-K -1.01 -5.08 -4.07 -0.261 0.98184E+04 212 nontronite-Mg -1.88 -5.54 -3.66 -0.238 0.88345E+04 213 nontronite-Na -0.96 -4.79 -3.83 -0.246 0.92397E+04 215 topaz -24.13 -29.01 -4.87 -0.541 0.11750E+05 226 portlandite 12.99 7.99 -5.00 -1.000 0.12059E+05 229 tobermorite 8.09 4.49 -3.60 -0.983 0.86878E+04 235 alabandite -3.22 -7.15 -3.93 -1.311 0.94864E+04 240 boehmite -0.87 -2.95 -2.07 -0.346 0.50024E+04 242 chalcopyrite -24.33 -24.88 -0.55 -0.102 0.13270E+04 245 copper,native -0.91 -4.38 -3.47 -1.207 0.83674E+04 246 dolomite,disordered -3.82 -5.65 -1.83 -0.305 0.44115E+04 247 ferrous-oxide 5.35 2.65 -2.70 -0.674 0.65036E+04 248 fluorite -11.63 -12.96 -1.33 -0.444 0.32128E+04 249 galena -10.09 -10.66 -0.57 -0.190 0.13718E+04 257 silica-amorphous -1.67 -2.16 -0.50 -0.166 0.12025E+04 260 sphalerite -10.14 -11.52 -1.38 -0.459 0.33201E+04 261 wurtzite -8.85 -11.52 -2.67 -0.890 0.64386E+04 263 an20ab80 -3.42 -3.97 -0.56 -0.043 0.13409E+04 264 an25ab75 -3.28 -3.86 -0.58 -0.045 0.14036E+04 265 an30ab70 -3.14 -3.76 -0.61 -0.047 0.14832E+04 266 tr.625ac.25prg.125 22.32 21.93 -0.39 -0.011 0.94869E+03 271 FeS-amorphous -4.16 -7.50 -3.35 -1.115 0.80688E+04 Calculations done for 254.0000 Deg. C; 43.5714 bar Enthalpies: Pure water 4.7546 kcal/mole H2O,gas 12.0084 kcal/mole CO2,gas 3.5322 kcal/mole CH4,gas 3.4545 kcal/mole Current solution 244.2974 Gas 52.2332 kcal Total current enthalpy 296.5306 kcal Starting enthalpy 296.5306 kcal Temperature changed by -2.000 degrees to 252.000 degrees C. Solids and gases carried ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ Test file for CHIM-XPT. Boil Broadlands Water Water similar to Broadlands Well No. 2 CHIMRUN demo-2a ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ Number of loops used = 15 Loop limit = 200 Temperature = 252.00 C Pressure = 42.03 bar Mixer fraction = 0.0000000 Total current enthalpy = 296.5306 KCAL Water: Moles liquid = 0.5109E+02 kg liquid = 0.9204E+00 Moles total = 0.5551E+02 kg total = 0.1000E+01 Activity = 0.9997 Stoichiometric ionic strength = .4411654E-01 Osmotic coef. = 0.8952 True ionic strength = .3465546E-01 Chg. balance for total moles = 0.2402E-07 Max. difference allowed = 0.3072E-05 Log Log Log Species(n) Molality Molality Activity Activity Gamma Gamma 1 H+ 0.26815E-06 -6.5716 0.19112E-06 -6.7187 0.71274E+00 -0.1471 2 H2O 0.99971E+00 -0.0001 0.99971E+00 -0.0001 3 Cl- 0.31826E-01 -1.4972 0.22350E-01 -1.6507 0.70226E+00 -0.1535 4 SO4-- 0.33970E-07 -7.4689 0.90934E-08 -8.0413 0.26769E+00 -0.5724 5 HCO3- 0.19668E-02 -2.7062 0.13902E-02 -2.8569 0.70681E+00 -0.1507 6 HS- 0.50427E-03 -3.2973 0.35437E-03 -3.4505 0.70274E+00 -0.1532 7 H4SiO4 0.67377E-02 -2.1715 0.67377E-02 -2.1715 0.10000E+01 0.0000 8 Al+++ 0.17341E-21 -21.7609 0.87416E-23 -23.0584 0.50411E-01 -1.2975 9 Ca++ 0.15410E-04 -4.8122 0.40277E-05 -5.3949 0.26137E+00 -0.5827 10 Mg++ 0.47306E-07 -7.3251 0.12141E-07 -7.9158 0.25664E+00 -0.5907 11 Fe++ 0.67082E-10 -10.1734 0.17294E-10 -10.7621 0.25780E+00 -0.5887 12 K+ 0.40014E-02 -2.3978 0.28333E-02 -2.5477 0.70808E+00 -0.1499 13 Na+ 0.30585E-01 -1.5145 0.21487E-01 -1.6678 0.70255E+00 -0.1533 14 Mn++ 0.16725E-09 -9.7766 0.43263E-10 -10.3639 0.25867E+00 -0.5873 15 Zn++ 0.72260E-14 -14.1411 0.18629E-14 -14.7298 0.25780E+00 -0.5887 16 Cu+ 0.41067E-12 -12.3865 0.28845E-12 -12.5399 0.70239E+00 -0.1534 17 Pb++ 0.49034E-13 -13.3095 0.12960E-13 -13.8874 0.26430E+00 -0.5779 18 Hg++ 0.32632E-33 -33.4864 0.85793E-34 -34.0665 0.26291E+00 -0.5802 19 F- 0.24510E-03 -3.6107 0.17004E-03 -3.7694 0.69377E+00 -0.1588 21 HSiO3- 0.42435E-04 -4.3723 0.29800E-04 -4.5258 0.70226E+00 -0.1535 22 Ca(HSiO3)+ 0.12346E-06 -6.9085 0.87491E-07 -7.0580 0.70867E+00 -0.1496 23 Mg(HSiO3)+ 0.25677E-09 -9.5904 0.18197E-09 -9.7400 0.70867E+00 -0.1496 24 NaHSiO3,aq 0.88846E-05 -5.0514 0.88846E-05 -5.0514 0.10000E+01 0.0000 27 HAlO2,aq 0.77560E-08 -8.1104 0.77560E-08 -8.1104 0.10000E+01 0.0000 28 AlO2- 0.23811E-05 -5.6232 0.16551E-05 -5.7812 0.69511E+00 -0.1579 29 CH4,aq 0.72194E-04 -4.1415 0.71259E-04 -4.1472 0.98704E+00 -0.0057 34 CO,aq 0.59775E-07 -7.2235 0.59775E-07 -7.2235 0.10000E+01 0.0000 35 CO2,aq 0.14630E-01 -1.8348 0.14440E-01 -1.8404 0.98704E+00 -0.0057 36 CO3-2 0.35210E-06 -6.4533 0.93527E-07 -7.0291 0.26562E+00 -0.5757 37 CaCO3,aq 0.79230E-06 -6.1011 0.79230E-06 -6.1011 0.10000E+01 0.0000 38 Ca(HCO3)+ 0.89854E-05 -5.0465 0.63677E-05 -5.1960 0.70867E+00 -0.1496 39 CaCl+ 0.10060E-04 -4.9974 0.71290E-05 -5.1470 0.70867E+00 -0.1496 40 CaCl2,aq 0.14142E-06 -6.8495 0.14142E-06 -6.8495 0.10000E+01 0.0000 41 CaF+ 0.80003E-06 -6.0969 0.56696E-06 -6.2465 0.70867E+00 -0.1496 42 CaOH+ 0.23808E-05 -5.6233 0.16872E-05 -5.7728 0.70867E+00 -0.1496 43 CaSO4,aq 0.55233E-09 -9.2578 0.55233E-09 -9.2578 0.10000E+01 0.0000 44 HCl,aq 0.11124E-07 -7.9537 0.11124E-07 -7.9537 0.10000E+01 0.0000 53 CuCl,aq 0.63174E-10 -10.1995 0.63174E-10 -10.1995 0.10000E+01 0.0000 54 CuCl2- 0.43512E-10 -10.3614 0.30556E-10 -10.5149 0.70226E+00 -0.1535 61 HF,aq 0.94198E-05 -5.0260 0.94198E-05 -5.0260 0.10000E+01 0.0000 62 HF2- 0.68345E-09 -9.1653 0.47996E-09 -9.3188 0.70226E+00 -0.1535 64 FeCl+ 0.27953E-10 -10.5536 0.19809E-10 -10.7031 0.70867E+00 -0.1496 69 FeO,aq 0.68342E-09 -9.1653 0.68342E-09 -9.1653 0.10000E+01 0.0000 70 FeOH+ 0.58869E-09 -9.2301 0.41719E-09 -9.3797 0.70867E+00 -0.1496 71 HFeO2- 0.19044E-09 -9.7202 0.13374E-09 -9.8737 0.70226E+00 -0.1535 74 FeO2- 0.18059E-09 -9.7433 0.12682E-09 -9.8968 0.70226E+00 -0.1535 75 HFeO2,aq 0.63512E-10 -10.1971 0.63512E-10 -10.1971 0.10000E+01 0.0000 76 H2,aq 0.98084E-04 -4.0084 0.96813E-04 -4.0141 0.98704E+00 -0.0057 77 Hg,aq 0.26787E-09 -9.5721 0.26440E-09 -9.5777 0.98704E+00 -0.0057 90 KCl,aq 0.35132E-04 -4.4543 0.35132E-04 -4.4543 0.10000E+01 0.0000 92 KOH,aq 0.41185E-06 -6.3853 0.41185E-06 -6.3853 0.10000E+01 0.0000 93 KSO4- 0.10152E-07 -7.9935 0.71291E-08 -8.1470 0.70226E+00 -0.1535 94 MgCO3,aq 0.26328E-09 -9.5796 0.26328E-09 -9.5796 0.10000E+01 0.0000 95 Mg(HCO3)+ 0.24459E-07 -7.6116 0.17333E-07 -7.7611 0.70867E+00 -0.1496 96 MgCl+ 0.14404E-07 -7.8415 0.10208E-07 -7.9911 0.70867E+00 -0.1496 97 MgF+ 0.65129E-08 -8.1862 0.46155E-08 -8.3358 0.70867E+00 -0.1496 98 MgOH+ 0.22213E-07 -7.6534 0.15742E-07 -7.8029 0.70867E+00 -0.1496 101 MnO,aq 0.50112E-10 -10.3001 0.50112E-10 -10.3001 0.10000E+01 0.0000 102 MnOH+ 0.21853E-09 -9.6605 0.15486E-09 -9.8101 0.70867E+00 -0.1496 107 MnCl+ 0.13871E-08 -8.8579 0.98302E-09 -9.0074 0.70867E+00 -0.1496 109 NaCl,aq 0.15046E-02 -2.8226 0.15046E-02 -2.8226 0.10000E+01 0.0000 110 NaF,aq 0.94996E-05 -5.0223 0.94996E-05 -5.0223 0.10000E+01 0.0000 111 NaOH,aq 0.20019E-05 -5.6986 0.20019E-05 -5.6986 0.10000E+01 0.0000 113 OH- 0.51196E-04 -4.2908 0.35587E-04 -4.4487 0.69511E+00 -0.1579 122 PbO,aq 0.11810E-10 -10.9278 0.11810E-10 -10.9278 0.10000E+01 0.0000 124 Pb(HS)2,aq 0.11629E-07 -7.9345 0.11629E-07 -7.9345 0.10000E+01 0.0000 125 Pb(HS)3- 0.23337E-09 -9.6320 0.16389E-09 -9.7855 0.70226E+00 -0.1535 126 H2S,aq 0.11805E-02 -2.9279 0.11652E-02 -2.9336 0.98704E+00 -0.0057 127 S2-2 0.14236E-09 -9.8466 0.37813E-10 -10.4224 0.26562E+00 -0.5757 134 HSO3- 0.21371E-10 -10.6702 0.15008E-10 -10.8237 0.70226E+00 -0.1535 135 HSO4- 0.48433E-09 -9.3149 0.34426E-09 -9.4631 0.71080E+00 -0.1483 154 ZnOH+ 0.86545E-10 -10.0628 0.61332E-10 -10.2123 0.70867E+00 -0.1496 159 AlF3,aq 0.33892E-09 -9.4699 0.33892E-09 -9.4699 0.10000E+01 0.0000 160 AlF4- 0.41806E-09 -9.3788 0.29358E-09 -9.5323 0.70226E+00 -0.1535 164 Cu(HS)2- 0.67601E-07 -7.1700 0.47473E-07 -7.3236 0.70226E+00 -0.1535 166 CuH4S3-b 0.52896E-10 -10.2766 0.37147E-10 -10.4301 0.70226E+00 -0.1535 180 MnCl2,aq 0.93597E-09 -9.0287 0.93597E-09 -9.0287 0.10000E+01 0.0000 181 MnCl3- 0.15193E-09 -9.8183 0.10670E-09 -9.9719 0.70226E+00 -0.1535 182 MnCO3,aq 0.49489E-10 -10.3055 0.49489E-10 -10.3055 0.10000E+01 0.0000 183 NaCO3- 0.18221E-06 -6.7394 0.12796E-06 -6.8929 0.70226E+00 -0.1535 184 NaHCO3,aq 0.68127E-04 -4.1667 0.68127E-04 -4.1667 0.10000E+01 0.0000 185 NaHS,aq 0.17366E-04 -4.7603 0.17366E-04 -4.7603 0.10000E+01 0.0000 186 NaSO4- 0.14907E-07 -7.8266 0.10469E-07 -7.9801 0.70226E+00 -0.1535 187 PbCO3,aq 0.12226E-09 -9.9127 0.12226E-09 -9.9127 0.10000E+01 0.0000 188 PbOH+ 0.49798E-10 -10.3028 0.35290E-10 -10.4523 0.70867E+00 -0.1496 189 PbH4S3,aq 0.12527E-10 -10.9022 0.12527E-10 -10.9022 0.10000E+01 0.0000 193 Zn(HS)2,aq 0.16269E-07 -7.7887 0.16269E-07 -7.7887 0.10000E+01 0.0000 194 Zn(HS)3- 0.25365E-09 -9.5958 0.17813E-09 -9.7493 0.70226E+00 -0.1535 Charge balance for all species = 0.2610E-07 Component Molality Aq.molality ppm log[A(N)/A(H+)**Z] (total) 1 H+ 0.2681497E-06 0.1567709E-01 0.1574542E+02 0.0000 2 H2O 0.1000000E+01 0.5549380E+02 0.9961852E+06 0.0000 3 Cl- 0.3182634E-01 0.3337644E-01 0.1179091E+04 5.0680 4 SO4-- 0.3396990E-07 -.9666993E-04 -.9253272E+01 5.3961 5 HCO3- 0.1966833E-02 0.1674722E-01 0.1018238E+04 3.8618 6 HS- 0.5042690E-03 0.1799094E-02 0.5928823E+02 3.2682 7 H4SiO4 0.6737748E-02 0.6789192E-02 0.6502273E+03 -2.1715 8 Al+++ 0.1734067E-21 0.2389584E-05 0.6424547E-01 -2.9023 9 Ca++ 0.1540969E-04 0.3869343E-04 0.1545245E+01 8.0424 10 Mg++ 0.4730593E-07 0.1154199E-06 0.2796118E-02 5.5216 11 Fe++ 0.6708202E-10 0.1807652E-08 0.1005932E-03 2.6753 12 K+ 0.4001431E-02 0.4036985E-02 0.1572933E+03 4.1710 13 Na+ 0.3058460E-01 0.3219527E-01 0.7375330E+03 5.0509 14 Mn++ 0.1672542E-09 0.2966036E-08 0.1623691E-03 3.0735 15 Zn++ 0.7226040E-14 0.1662294E-07 0.1082781E-02 -1.2924 16 Cu+ 0.4106687E-12 0.6776739E-07 0.4290640E-02 -5.8212 17 Pb++ 0.4903432E-13 0.1205978E-07 0.2489788E-02 -0.4500 18 Hg++ 0.3263170E-33 0.2691629E-09 0.5379954E-04 -20.6292 19 F- 0.2451015E-03 0.2648316E-03 0.5013394E+01 2.9492 Component Tot moles Aq. moles Solid moles Gas moles 1 H+ 0.1822172E+00 0.1442943E-01 -.4341765E-06 0.1677882E+00 2 H2O 0.5550825E+02 0.5107730E+02 -.3212623E-02 0.4434161E+01 3 Cl- 0.3072017E-01 0.3072017E-01 0.0000000E+00 0.1465479E-08 4 SO4-- -.4257700E-02 -.8897642E-04 0.0000000E+00 -.4168724E-02 5 HCO3- 0.1832100E+00 0.1541439E-01 0.0000000E+00 0.1677956E+00 6 HS- 0.9985820E-02 0.1655913E-02 0.0000000E+00 0.8329907E-02 7 H4SiO4 0.7855346E-02 0.6248871E-02 0.1606474E-02 0.0000000E+00 8 Al+++ 0.2253680E-05 0.2199408E-05 0.5427206E-07 0.0000000E+00 9 Ca++ 0.3561400E-04 0.3561400E-04 0.0000000E+00 0.0000000E+00 10 Mg++ 0.2355503E-06 0.1062342E-06 0.1293161E-06 0.0000000E+00 11 Fe++ 0.8017372E-08 0.1663789E-08 0.6353583E-08 0.0000000E+00 12 K+ 0.3715700E-02 0.3715700E-02 0.0000000E+00 0.0000000E+00 13 Na+ 0.2963300E-01 0.2963300E-01 0.0000000E+00 0.0000000E+00 14 Mn++ 0.2740424E-08 0.2729983E-08 0.1044072E-10 0.0000000E+00 15 Zn++ 0.1530000E-07 0.1530000E-07 0.0000000E+00 0.0000000E+00 16 Cu+ 0.6237410E-07 0.6237410E-07 0.0000000E+00 0.0000000E+00 17 Pb++ 0.1110000E-07 0.1110000E-07 0.0000000E+00 0.0000000E+00 18 Hg++ 0.4000000E-08 0.2477415E-09 0.0000000E+00 0.3752259E-08 19 F- 0.2439100E-03 0.2437549E-03 0.0000000E+00 0.1551269E-06 Chg. balance for solid moles: -.2086E-16 Mass of aqueous solution: 0.923697E+03 g Temperature = 252.00 C Pressure = 42.03 bar Mixer frac. = 0.0000000 Log Log Vol Gas or mineral Moles Moles Grams Grams Wt.% (cm3) H2O,gas 4.591 0.662 82.69 1.917 91.74 3894. CO2,gas 0.1647 -0.783 7.249 0.860 8.042 181.7 CH4,gas 0.3076E-02 -2.512 0.4934E-01 -1.307 0.5474E-01 3.756 H2,gas 0.4368E-02 -2.360 0.8824E-02 -2.054 0.9789E-02 4.609 H2S,gas 0.4161E-02 -2.381 0.1418 -0.848 0.1573 4.077 CO,gas 0.2136E-05 -5.670 0.5983E-04 -4.223 0.6638E-04 0.2219E-02 SO2,gas 0.2924E-12 -12.534 0.1873E-10 -10.727 0.2078E-10 0.3037E-09 HF,gas 0.1551E-06 -6.809 0.3103E-05 -5.508 0.3442E-05 0.1611E-03 HCl,gas 0.1465E-08 -8.834 0.5343E-07 -7.272 0.5928E-07 0.1522E-05 Hg,gas 0.3752E-08 -8.426 0.7527E-06 -6.123 0.8350E-06 0.3898E-05 clinochlore 0.2586E-07 -7.587 0.1438E-04 -4.842 0.1489E-01 0.5468E-05 daphnite 0.1271E-08 -8.896 0.9067E-06 -6.043 0.9393E-03 0.2747E-06 chlorite-Mn 0.2088E-11 -11.680 0.1480E-08 -8.830 0.1534E-05 0.4718E-09 quartz 0.1606E-02 -2.794 0.9651E-01 -1.015 99.98 0.3645E-01 Partial press. Fugacity coef Log fugacity Gas or Mineral Mole fraction or activity Activity coef Log activity H2O,gas 0.9630E+00 0.4048E+02 0.8510 1.537 CO2,gas 0.3455E-01 0.1452E+01 0.9920 0.159 CH4,gas 0.6452E-03 0.2712E-01 1.1477 -1.507 H2,gas 0.9162E-03 0.3851E-01 1.0159 -1.408 H2S,gas 0.8728E-03 0.3669E-01 0.9430 -1.461 CO,gas 0.4480E-06 0.1883E-04 1.0000 -4.725 SO2,gas 0.6132E-13 0.2578E-11 1.0000 -11.589 HF,gas 0.3254E-07 0.1368E-05 1.0000 -5.864 HCl,gas 0.3074E-09 0.1292E-07 1.0000 -7.889 Hg,gas 0.7870E-09 0.3308E-07 1.0000 -7.480 clinochlore 0.9531E+00 0.9531E+00 1.0000 -0.021 daphnite 0.4683E-01 0.4683E-01 1.0000 -1.329 chlorite-Mn 0.7695E-04 0.7695E-04 1.0000 -4.114 quartz 0.1000E+01 0.1000E+01 1.0000 0.000 Current weight percent of gas: 8.890224 % Solid products produced: Mass = 0.096527 g Volume = 0.036453 cm3 WARNING: mineral volume may be in error because some mineral densities were not supplied in SOLTHERM. See mineral list in file Skip_Species.txt. NON-Ideal mixing with H2O, CO2, CH4 Gases ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ The following gases and minerals are presently in matrix or were just added Gas or Mineral Log K Log Q Log(Q/K) Log(Q/K)/S Affinity Log Fugacity 1 H2O,gas 0.09 0.09 -0.00 -0.000 0.57019E-09 2 CO2,gas -8.11 -8.11 0.00 0.000 -0.20062E-09 3 CH4,gas 4.86 4.86 0.00 0.000 -0.54851E-09 4 H2,gas 5.86 5.86 0.00 0.000 -0.49089E-10 5 H2S,gas -7.08 -7.08 -0.00 -0.000 0.17288E-09 6 CO,gas -0.40 -0.40 0.00 0.000 -0.53357E-12 7 SO2,gas -5.44 -5.44 0.00 0.000 -0.21343E-11 8 HF,gas -3.00 -3.00 0.00 0.000 0.00000E+00 9 HCl,gas 1.14 1.14 0.00 0.000 0.00000E+00 10 Hg,gas -8.70 -8.70 0.00 0.000 -0.12806E-10 43 clinochlore 15.39 15.39 0.00 0.000 -0.55492E-10 44 daphnite 7.70 7.70 0.00 0.000 -0.32014E-10 45 chlorite-Mn 23.62 23.62 0.00 0.000 -0.17074E-10 146 quartz -2.17 -2.17 0.00 0.000 0.00000E+00 The following gases and minerals are presently EXCLUDED from matrix (Gases and minerals with log(Q/K) less than -5 are not listed below) Gas or Mineral Log K Log Q Log(Q/K) Log(Q/K)/S Affinity Log Fugacity 11 acmite 4.90 1.97 -2.93 -0.304 0.70326E+04 15 albite-high -3.30 -4.37 -1.06 -0.082 0.25549E+04 16 albite -3.81 -4.37 -0.55 -0.043 0.13301E+04 20 analcite -0.90 -2.19 -1.29 -0.144 0.31088E+04 21 andalusite -4.97 -7.98 -3.01 -0.301 0.72232E+04 22 andradite 23.21 20.14 -3.07 -0.160 0.73881E+04 23 grossular 13.74 11.81 -1.93 -0.096 0.46352E+04 24 anhydrite -8.51 -13.44 -4.93 -2.466 0.11849E+05 25 ankerite -6.10 -8.43 -2.34 -0.390 0.56195E+04 26 annite 7.36 2.78 -4.58 -0.255 0.11015E+05 27 phlogopite 12.63 11.32 -1.31 -0.073 0.31592E+04 29 anorthite -0.46 -2.11 -1.64 -0.126 0.39434E+04 32 aragonite -1.18 -1.53 -0.35 -0.118 0.85081E+03 33 brucite 8.23 5.52 -2.70 -0.541 0.64983E+04 34 calcite -1.33 -1.53 -0.20 -0.067 0.48585E+03 35 carnegieite-low 3.04 -0.02 -3.07 -0.438 0.73697E+04 36 carnegieite-high 3.57 -0.02 -3.59 -0.513 0.86362E+04 37 carpholite-Mg -2.24 -4.63 -2.39 -0.159 0.57346E+04 38 carpholite-Fe -3.67 -7.47 -3.80 -0.253 0.91296E+04 39 celadonite 0.27 -1.90 -2.16 -0.127 0.52004E+04 40 celadonite-Fe -1.01 -4.74 -3.73 -0.219 0.89600E+04 41 chrysotile 14.34 12.22 -2.11 -0.176 0.50807E+04 46 chlorite-Al-free 28.39 24.44 -3.95 -0.165 0.94879E+04 47 chloritoid-Mg 0.39 -2.45 -2.84 -0.189 0.68284E+04 48 chloritoid-Fe -2.41 -5.30 -2.89 -0.193 0.69423E+04 49 chloritoid-Mn -0.20 -4.90 -4.70 -0.313 0.11293E+05 51 coesite -1.71 -2.17 -0.46 -0.153 0.11016E+04 56 corundum -2.51 -5.81 -3.29 -0.299 0.79079E+04 58 cristobalite -1.96 -2.17 -0.21 -0.070 0.50715E+03 61 cymrite-K -1.78 -5.25 -3.46 -0.289 0.83241E+04 63 diaspore -1.66 -2.90 -1.24 -0.206 0.29741E+04 64 diamond -1.85 -3.92 -2.07 -0.592 0.49797E+04 65 diopside 9.58 9.22 -0.36 -0.036 0.87320E+03 66 hedenbergite 8.05 6.37 -1.68 -0.168 0.40283E+04 67 dolomite,ordered -4.07 -5.59 -1.52 -0.254 0.36562E+04 68 eastonite 6.50 2.16 -4.33 -0.167 0.10414E+05 69 enstatite 9.43 6.70 -2.73 -0.273 0.65605E+04 70 clinoenstatite-HiP 10.22 6.70 -3.52 -0.352 0.84497E+04 71 clinoenstatite 9.37 6.70 -2.67 -0.267 0.64050E+04 72 protoenstatite 9.76 6.70 -3.06 -0.306 0.73508E+04 73 epidote 6.73 5.03 -1.70 -0.082 0.40827E+04 74 clinozoisite 2.71 0.86 -1.85 -0.084 0.44341E+04 75 epidote-Fe 13.16 9.19 -3.97 -0.206 0.95416E+04 76 fayalite 7.00 3.18 -3.82 -0.546 0.91816E+04 77 ferrosilite 4.94 1.01 -3.93 -0.393 0.94511E+04 78 forsterite 12.10 8.87 -3.23 -0.461 0.77565E+04 81 gibbsite -0.30 -2.90 -2.60 -0.372 0.62562E+04 82 glaucophane 7.01 3.49 -3.52 -0.095 0.84474E+04 84 goethite 3.37 1.26 -2.11 -0.456 0.50684E+04 85 graphite -2.23 -3.92 -1.69 -0.484 0.40703E+04 86 greenalite 8.53 3.68 -4.85 -0.404 0.11657E+05 88 halite 0.91 -3.32 -4.23 -2.117 0.10173E+05 89 hematite 5.84 2.52 -3.32 -0.402 0.79795E+04 90 heulandite -12.16 -12.96 -0.80 -0.036 0.19284E+04 94 jadeite -0.02 -2.19 -2.18 -0.218 0.52348E+04 96 kalsilite 2.21 -0.90 -3.11 -0.444 0.74724E+04 97 kaolinite -7.89 -10.15 -2.26 -0.205 0.54295E+04 98 kyanite -4.92 -7.98 -3.06 -0.306 0.73519E+04 100 laumontite -5.35 -6.45 -1.10 -0.073 0.26331E+04 101 lawsonite -0.52 -2.11 -1.59 -0.106 0.38170E+04 102 leucite -0.59 -3.07 -2.49 -0.249 0.59776E+04 104 lizardite 14.08 12.22 -1.86 -0.155 0.44583E+04 105 magnesite -2.09 -4.05 -1.97 -0.655 0.47254E+04 106 magnetite 9.66 5.20 -4.46 -0.364 0.10719E+05 107 minnesotaite 3.69 -0.66 -4.35 -0.256 0.10453E+05 108 minnesotaite-Mg 11.24 7.88 -3.36 -0.198 0.80758E+04 112 margarite -4.56 -7.91 -3.35 -0.134 0.80391E+04 115 microcline -4.96 -5.25 -0.29 -0.022 0.68634E+03 116 monticellite 15.32 11.39 -3.92 -0.561 0.94306E+04 118 mullite-Si -3.49 -7.98 -4.48 -0.448 0.10769E+05 119 muscovite -8.99 -11.05 -2.06 -0.121 0.49480E+04 120 paragonite -8.03 -10.17 -2.14 -0.126 0.51511E+04 121 nepheline 2.53 -0.02 -2.55 -0.364 0.61270E+04 126 periclase 10.08 5.52 -4.56 -1.139 0.10949E+05 127 periclase-Fe 6.74 2.68 -4.06 -1.015 0.97609E+04 133 phlogopite-Na 14.14 12.20 -1.94 -0.108 0.46607E+04 135 prehnite 4.82 3.77 -1.06 -0.062 0.25427E+04 136 prehnite-Fe 9.60 7.93 -1.67 -0.101 0.40190E+04 137 pumpellyite-Fe 11.31 7.30 -4.01 -0.089 0.96357E+04 138 pumpellyite-Mg 13.31 10.15 -3.16 -0.070 0.75964E+04 140 px-Ca-tschermaks 4.15 0.07 -4.08 -0.292 0.98101E+04 141 pyrite -19.59 -20.49 -0.90 -0.212 0.21670E+04 142 pyrrhotite -5.93 -7.49 -1.57 -0.522 0.37666E+04 143 pyrrhotiteFe0.875 -7.07 -8.18 -1.11 -0.408 0.26653E+04 144 pyroxmangite 4.35 0.90 -3.45 -0.690 0.82944E+04 145 pyrophyllite -12.12 -14.49 -2.37 -0.148 0.56868E+04 151 rhodochrosite -2.74 -6.50 -3.77 -1.255 0.90475E+04 152 rhodonite 4.37 0.90 -3.47 -0.693 0.83298E+04 153 sanidine -4.10 -5.25 -1.15 -0.088 0.27522E+04 155 siderite -4.49 -6.90 -2.41 -0.805 0.58003E+04 156 sillimanite -4.83 -7.98 -3.15 -0.315 0.75714E+04 163 stilbite -11.03 -12.96 -1.93 -0.092 0.46425E+04 165 stilpnomelane-Mg 7.47 6.52 -0.96 -0.029 0.22954E+04 166 stishovite 2.14 -2.17 -4.31 -1.438 0.10368E+05 168 sudoite -2.15 -7.08 -4.93 -0.159 0.11858E+05 169 sulfur -8.80 -13.00 -4.20 -1.292 0.10093E+05 171 talc 8.39 7.88 -0.51 -0.030 0.12339E+04 173 talc-tschermaks 2.97 -1.28 -4.25 -0.250 0.10213E+05 178 topaz-H -4.09 -7.98 -3.89 -0.354 0.93494E+04 179 tridymite -1.98 -2.17 -0.19 -0.062 0.45004E+03 180 tremolite 26.74 26.32 -0.42 -0.011 0.10162E+04 182 troilite-low -5.95 -7.49 -1.54 -0.515 0.37094E+04 183 tschermakite 12.75 8.01 -4.74 -0.128 0.11388E+05 188 wairakite -5.77 -6.45 -0.68 -0.040 0.16297E+04 189 walstromite 7.58 5.87 -1.71 -0.342 0.41095E+04 190 wollastonite 6.85 5.87 -0.98 -0.196 0.23553E+04 191 pseudo-wollastonite 7.16 5.87 -1.29 -0.258 0.31025E+04 192 zoisite 2.74 0.86 -1.88 -0.085 0.45125E+04 193 beidellite-Ca -10.45 -13.40 -2.96 -0.183 0.71065E+04 194 beidellite-H -10.76 -14.73 -3.97 -0.253 0.95386E+04 195 beidellite-K -9.82 -13.36 -3.54 -0.217 0.84971E+04 196 beidellite-Mg -10.69 -13.82 -3.13 -0.194 0.75248E+04 197 beidellite-Na -9.77 -13.06 -3.29 -0.202 0.79176E+04 198 bornite -67.98 -68.52 -0.54 -0.041 0.13036E+04 200 chalcedony -2.04 -2.17 -0.13 -0.044 0.32066E+03 201 chalcocite -20.18 -21.81 -1.63 -0.407 0.39093E+04 202 covellite -15.26 -17.40 -2.14 -0.815 0.51411E+04 204 montmorillonite-Ca -8.60 -10.38 -1.78 -0.110 0.42829E+04 205 montmorillonite-K -8.10 -10.33 -2.23 -0.137 0.53662E+04 206 montmorillonite-Mg -8.86 -10.80 -1.94 -0.120 0.46515E+04 207 montmorillonite-Na -7.96 -10.04 -2.08 -0.128 0.50079E+04 209 nontronite-Ca -1.58 -5.08 -3.49 -0.227 0.83944E+04 210 nontronite-H -1.90 -6.40 -4.50 -0.302 0.10814E+05 211 nontronite-K -0.96 -5.03 -4.07 -0.261 0.97827E+04 212 nontronite-Mg -1.82 -5.49 -3.67 -0.238 0.88200E+04 213 nontronite-Na -0.90 -4.74 -3.83 -0.246 0.92078E+04 215 topaz -24.03 -28.95 -4.92 -0.547 0.11827E+05 226 portlandite 13.04 8.04 -4.99 -0.999 0.12002E+05 229 tobermorite 8.11 4.53 -3.58 -0.977 0.86028E+04 235 alabandite -3.19 -7.10 -3.91 -1.303 0.93945E+04 240 boehmite -0.82 -2.90 -2.09 -0.348 0.50110E+04 242 chalcopyrite -24.34 -24.90 -0.56 -0.104 0.13377E+04 245 copper,native -0.94 -4.41 -3.47 -1.207 0.83414E+04 246 dolomite,disordered -3.75 -5.59 -1.84 -0.307 0.44211E+04 247 ferrous-oxide 5.39 2.68 -2.72 -0.679 0.65298E+04 248 fluorite -11.59 -12.93 -1.34 -0.447 0.32223E+04 249 galena -10.10 -10.62 -0.52 -0.174 0.12547E+04 257 silica-amorphous -1.67 -2.17 -0.50 -0.168 0.12081E+04 260 sphalerite -10.13 -11.46 -1.33 -0.443 0.31925E+04 261 wurtzite -8.84 -11.46 -2.63 -0.875 0.63114E+04 263 an20ab80 -3.36 -3.91 -0.55 -0.043 0.13314E+04 264 an25ab75 -3.22 -3.80 -0.58 -0.045 0.13960E+04 265 an30ab70 -3.07 -3.69 -0.61 -0.047 0.14774E+04 266 tr.625ac.25prg.125 22.55 22.16 -0.39 -0.011 0.94561E+03 271 FeS-amorphous -4.14 -7.49 -3.35 -1.118 0.80606E+04 Calculations done for 252.0000 Deg. C; 42.0344 bar Enthalpies: Pure water 4.7126 kcal/mole H2O,gas 12.0174 kcal/mole CO2,gas 3.4826 kcal/mole CH4,gas 3.4009 kcal/mole Current solution 240.7692 Gas 55.7613 kcal Total current enthalpy 296.5306 kcal Starting enthalpy 296.5306 kcal Temperature changed by -2.000 degrees to 250.000 degrees C. Solids and gases carried ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ Test file for CHIM-XPT. Boil Broadlands Water Water similar to Broadlands Well No. 2 CHIMRUN demo-2a ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ Number of loops used = 14 Loop limit = 200 Temperature = 250.00 C Pressure = 40.55 bar Mixer fraction = 0.0000000 Total current enthalpy = 296.5306 KCAL Water: Moles liquid = 0.5081E+02 kg liquid = 0.9153E+00 Moles total = 0.5551E+02 kg total = 0.1000E+01 Activity = 0.9997 Stoichiometric ionic strength = .4361216E-01 Osmotic coef. = 0.8964 True ionic strength = .3489804E-01 Chg. balance for total moles = 0.2402E-07 Max. difference allowed = 0.3072E-05 Log Log Log Species(n) Molality Molality Activity Activity Gamma Gamma 1 H+ 0.25709E-06 -6.5899 0.18358E-06 -6.7362 0.71409E+00 -0.1462 2 H2O 0.99974E+00 -0.0001 0.99974E+00 -0.0001 3 Cl- 0.32050E-01 -1.4942 0.22552E-01 -1.6468 0.70367E+00 -0.1526 4 SO4-- 0.38634E-07 -7.4130 0.10419E-07 -7.9822 0.26968E+00 -0.5692 5 HCO3- 0.19757E-02 -2.7043 0.13992E-02 -2.8541 0.70820E+00 -0.1498 6 HS- 0.50734E-03 -3.2947 0.35724E-03 -3.4470 0.70415E+00 -0.1523 7 H4SiO4 0.66187E-02 -2.1792 0.66187E-02 -2.1792 0.10000E+01 0.0000 8 Al+++ 0.16776E-21 -21.7753 0.86003E-23 -23.0655 0.51266E-01 -1.2902 9 Ca++ 0.15941E-04 -4.7975 0.41980E-05 -5.3770 0.26335E+00 -0.5795 10 Mg++ 0.47008E-07 -7.3278 0.12157E-07 -7.9152 0.25861E+00 -0.5874 11 Fe++ 0.64960E-10 -10.1874 0.16875E-10 -10.7728 0.25978E+00 -0.5854 12 K+ 0.40253E-02 -2.3952 0.28558E-02 -2.5443 0.70946E+00 -0.1491 13 Na+ 0.30802E-01 -1.5114 0.21683E-01 -1.6639 0.70396E+00 -0.1525 14 Mn++ 0.17967E-09 -9.7455 0.46829E-10 -10.3295 0.26064E+00 -0.5840 15 Zn++ 0.78150E-14 -14.1071 0.20301E-14 -14.6925 0.25978E+00 -0.5854 16 Cu+ 0.37708E-12 -12.4236 0.26539E-12 -12.5761 0.70380E+00 -0.1526 17 Pb++ 0.50826E-13 -13.2939 0.13534E-13 -13.8686 0.26628E+00 -0.5747 18 Hg++ 0.26221E-33 -33.5813 0.69457E-34 -34.1583 0.26489E+00 -0.5769 19 F- 0.24760E-03 -3.6063 0.17214E-03 -3.7641 0.69523E+00 -0.1579 21 HSiO3- 0.44431E-04 -4.3523 0.31264E-04 -4.5049 0.70367E+00 -0.1526 22 Ca(HSiO3)+ 0.12671E-06 -6.8972 0.89970E-07 -7.0459 0.71004E+00 -0.1487 23 Mg(HSiO3)+ 0.25502E-09 -9.5934 0.18108E-09 -9.7421 0.71004E+00 -0.1487 24 NaHSiO3,aq 0.92295E-05 -5.0348 0.92295E-05 -5.0348 0.10000E+01 0.0000 27 HAlO2,aq 0.76521E-08 -8.1162 0.76521E-08 -8.1162 0.10000E+01 0.0000 28 AlO2- 0.23933E-05 -5.6210 0.16670E-05 -5.7781 0.69656E+00 -0.1570 29 CH4,aq 0.63318E-04 -4.1985 0.62505E-04 -4.2041 0.98715E+00 -0.0056 34 CO,aq 0.50078E-07 -7.3004 0.50078E-07 -7.3004 0.10000E+01 0.0000 35 CO2,aq 0.13287E-01 -1.8766 0.13117E-01 -1.8822 0.98715E+00 -0.0056 36 CO3-2 0.38330E-06 -6.4165 0.10257E-06 -6.9890 0.26761E+00 -0.5725 37 CaCO3,aq 0.82429E-06 -6.0839 0.82429E-06 -6.0839 0.10000E+01 0.0000 38 Ca(HCO3)+ 0.88030E-05 -5.0554 0.62505E-05 -5.2041 0.71004E+00 -0.1487 39 CaCl+ 0.98845E-05 -5.0050 0.70184E-05 -5.1538 0.71004E+00 -0.1487 40 CaCl2,aq 0.13534E-06 -6.8686 0.13534E-06 -6.8686 0.10000E+01 0.0000 41 CaF+ 0.78638E-06 -6.1044 0.55836E-06 -6.2531 0.71004E+00 -0.1487 42 CaOH+ 0.24089E-05 -5.6182 0.17104E-05 -5.7669 0.71004E+00 -0.1487 43 CaSO4,aq 0.60934E-09 -9.2151 0.60934E-09 -9.2151 0.10000E+01 0.0000 44 HCl,aq 0.10163E-07 -7.9930 0.10163E-07 -7.9930 0.10000E+01 0.0000 53 CuCl,aq 0.57290E-10 -10.2419 0.57290E-10 -10.2419 0.10000E+01 0.0000 54 CuCl2- 0.39528E-10 -10.4031 0.27815E-10 -10.5557 0.70367E+00 -0.1526 61 HF,aq 0.86438E-05 -5.0633 0.86438E-05 -5.0633 0.10000E+01 0.0000 62 HF2- 0.63563E-09 -9.1968 0.44727E-09 -9.3494 0.70367E+00 -0.1526 64 FeCl+ 0.25831E-10 -10.5879 0.18341E-10 -10.7366 0.71004E+00 -0.1487 69 FeO,aq 0.65081E-09 -9.1865 0.65081E-09 -9.1865 0.10000E+01 0.0000 70 FeOH+ 0.56755E-09 -9.2460 0.40299E-09 -9.3947 0.71004E+00 -0.1487 71 HFeO2- 0.18930E-09 -9.7229 0.13320E-09 -9.8755 0.70367E+00 -0.1526 74 FeO2- 0.17876E-09 -9.7477 0.12579E-09 -9.9004 0.70367E+00 -0.1526 75 HFeO2,aq 0.62156E-10 -10.2065 0.62156E-10 -10.2065 0.10000E+01 0.0000 76 H2,aq 0.90642E-04 -4.0427 0.89478E-04 -4.0483 0.98715E+00 -0.0056 77 Hg,aq 0.23954E-09 -9.6206 0.23646E-09 -9.6262 0.98715E+00 -0.0056 90 KCl,aq 0.33956E-04 -4.4691 0.33956E-04 -4.4691 0.10000E+01 0.0000 92 KOH,aq 0.41858E-06 -6.3782 0.41858E-06 -6.3782 0.10000E+01 0.0000 93 KSO4- 0.11096E-07 -7.9548 0.78079E-08 -8.1075 0.70367E+00 -0.1526 94 MgCO3,aq 0.26537E-09 -9.5761 0.26537E-09 -9.5761 0.10000E+01 0.0000 95 Mg(HCO3)+ 0.23089E-07 -7.6366 0.16394E-07 -7.7853 0.71004E+00 -0.1487 96 MgCl+ 0.13700E-07 -7.8633 0.97276E-08 -8.0120 0.71004E+00 -0.1487 97 MgF+ 0.61716E-08 -8.2096 0.43821E-08 -8.3583 0.71004E+00 -0.1487 98 MgOH+ 0.21656E-07 -7.6644 0.15377E-07 -7.8131 0.71004E+00 -0.1487 101 MnO,aq 0.53055E-10 -10.2753 0.53055E-10 -10.2753 0.10000E+01 0.0000 102 MnOH+ 0.23296E-09 -9.6327 0.16541E-09 -9.7814 0.71004E+00 -0.1487 107 MnCl+ 0.13977E-08 -8.8546 0.99244E-09 -9.0033 0.71004E+00 -0.1487 109 NaCl,aq 0.14700E-02 -2.8327 0.14700E-02 -2.8327 0.10000E+01 0.0000 110 NaF,aq 0.92896E-05 -5.0320 0.92896E-05 -5.0320 0.10000E+01 0.0000 111 NaOH,aq 0.20426E-05 -5.6898 0.20426E-05 -5.6898 0.10000E+01 0.0000 113 OH- 0.53222E-04 -4.2739 0.37072E-04 -4.4309 0.69656E+00 -0.1570 122 PbO,aq 0.12521E-10 -10.9024 0.12521E-10 -10.9024 0.10000E+01 0.0000 124 Pb(HS)2,aq 0.11678E-07 -7.9326 0.11678E-07 -7.9326 0.10000E+01 0.0000 125 Pb(HS)3- 0.23012E-09 -9.6380 0.16193E-09 -9.7907 0.70367E+00 -0.1526 126 H2S,aq 0.10900E-02 -2.9626 0.10760E-02 -2.9682 0.98715E+00 -0.0056 127 S2-2 0.14345E-09 -9.8433 0.38390E-10 -10.4158 0.26761E+00 -0.5725 134 HSO3- 0.20754E-10 -10.6829 0.14604E-10 -10.8355 0.70367E+00 -0.1526 135 HSO4- 0.49211E-09 -9.3079 0.35047E-09 -9.4554 0.71217E+00 -0.1474 154 ZnOH+ 0.91473E-10 -10.0387 0.64950E-10 -10.1874 0.71004E+00 -0.1487 159 AlF3,aq 0.23021E-09 -9.6379 0.23021E-09 -9.6379 0.10000E+01 0.0000 160 AlF4- 0.26954E-09 -9.5694 0.18967E-09 -9.7220 0.70367E+00 -0.1526 164 Cu(HS)2- 0.67990E-07 -7.1676 0.47843E-07 -7.3202 0.70367E+00 -0.1526 166 CuH4S3-b 0.54859E-10 -10.2608 0.38603E-10 -10.4134 0.70367E+00 -0.1526 180 MnCl2,aq 0.90552E-09 -9.0431 0.90552E-09 -9.0431 0.10000E+01 0.0000 181 MnCl3- 0.14884E-09 -9.8273 0.10474E-09 -9.9799 0.70367E+00 -0.1526 182 MnCO3,aq 0.57883E-10 -10.2375 0.57883E-10 -10.2375 0.10000E+01 0.0000 183 NaCO3- 0.20455E-06 -6.6892 0.14393E-06 -6.8418 0.70367E+00 -0.1526 184 NaHCO3,aq 0.66374E-04 -4.1780 0.66374E-04 -4.1780 0.10000E+01 0.0000 185 NaHS,aq 0.16947E-04 -4.7709 0.16947E-04 -4.7709 0.10000E+01 0.0000 186 NaSO4- 0.16465E-07 -7.7834 0.11586E-07 -7.9361 0.70367E+00 -0.1526 187 PbCO3,aq 0.14238E-09 -9.8465 0.14238E-09 -9.8465 0.10000E+01 0.0000 188 PbOH+ 0.52022E-10 -10.2838 0.36938E-10 -10.4325 0.71004E+00 -0.1487 189 PbH4S3,aq 0.11592E-10 -10.9358 0.11592E-10 -10.9358 0.10000E+01 0.0000 193 Zn(HS)2,aq 0.16348E-07 -7.7865 0.16348E-07 -7.7865 0.10000E+01 0.0000 194 Zn(HS)3- 0.26246E-09 -9.5809 0.18468E-09 -9.7336 0.70367E+00 -0.1526 Charge balance for all species = 0.2624E-07 Component Molality Aq.molality ppm log[A(N)/A(H+)**Z] (total) 1 H+ 0.2570895E-06 0.1424061E-01 0.1430356E+02 0.0000 2 H2O 0.1000000E+01 0.5549513E+02 0.9962699E+06 0.0000 3 Cl- 0.3204982E-01 0.3356397E-01 0.1185788E+04 5.0894 4 SO4-- 0.3863384E-07 -.8592383E-04 -.8225155E+01 5.4901 5 HCO3- 0.1975668E-02 0.1540291E-01 0.9365603E+03 3.8820 6 HS- 0.5073391E-03 0.1700445E-02 0.5604073E+02 3.2891 7 H4SiO4 0.6618699E-02 0.6672486E-02 0.6390890E+03 -2.1792 8 Al+++ 0.1677593E-21 0.2401413E-05 0.6456744E-01 -2.8570 9 Ca++ 0.1594110E-04 0.3891084E-04 0.1554022E+01 8.0954 10 Mg++ 0.4700766E-07 0.1121494E-06 0.2717053E-02 5.5571 11 Fe++ 0.6495959E-10 0.1744811E-08 0.9710217E-04 2.6996 12 K+ 0.4025282E-02 0.4059667E-02 0.1581867E+03 4.1919 13 Na+ 0.3080205E-01 0.3237617E-01 0.7417222E+03 5.0723 14 Mn++ 0.1796673E-09 0.2981418E-08 0.1632211E-03 3.1428 15 Zn++ 0.7815025E-14 0.1671634E-07 0.1088931E-02 -1.2201 16 Cu+ 0.3770808E-12 0.6814816E-07 0.4315012E-02 -5.8400 17 Pb++ 0.5082607E-13 0.1212754E-07 0.2503930E-02 -0.3962 18 Hg++ 0.2622113E-33 0.2406899E-09 0.4811139E-04 -20.6860 19 F- 0.2475953E-03 0.2663243E-03 0.5041960E+01 2.9720 Component Tot moles Aq. moles Solid moles Gas moles 1 H+ 0.1822172E+00 0.1303403E-01 -.4458724E-06 0.1691836E+00 2 H2O 0.5550825E+02 0.5079314E+02 -.3496077E-02 0.4718614E+01 3 Cl- 0.3072017E-01 0.3072017E-01 0.0000000E+00 0.1401924E-08 4 SO4-- -.4257700E-02 -.7864367E-04 0.0000000E+00 -.4179056E-02 5 HCO3- 0.1832100E+00 0.1409785E-01 0.0000000E+00 0.1691121E+00 6 HS- 0.9985820E-02 0.1556370E-02 0.0000000E+00 0.8429450E-02 7 H4SiO4 0.7855346E-02 0.6107140E-02 0.1748206E-02 0.0000000E+00 8 Al+++ 0.2253680E-05 0.2197946E-05 0.5573405E-07 0.0000000E+00 9 Ca++ 0.3561400E-04 0.3561400E-04 0.0000000E+00 0.0000000E+00 10 Mg++ 0.2355503E-06 0.1026472E-06 0.1329031E-06 0.0000000E+00 11 Fe++ 0.8017372E-08 0.1596977E-08 0.6420395E-08 0.0000000E+00 12 K+ 0.3715700E-02 0.3715700E-02 0.0000000E+00 0.0000000E+00 13 Na+ 0.2963300E-01 0.2963300E-01 0.0000000E+00 0.0000000E+00 14 Mn++ 0.2740424E-08 0.2728808E-08 0.1161538E-10 0.0000000E+00 15 Zn++ 0.1530000E-07 0.1530000E-07 0.0000000E+00 0.0000000E+00 16 Cu+ 0.6237410E-07 0.6237410E-07 0.0000000E+00 0.0000000E+00 17 Pb++ 0.1110000E-07 0.1110000E-07 0.0000000E+00 0.0000000E+00 18 Hg++ 0.4000000E-08 0.2202968E-09 0.0000000E+00 0.3779703E-08 19 F- 0.2439100E-03 0.2437592E-03 0.0000000E+00 0.1507996E-06 Chg. balance for solid moles: -.4066E-16 Mass of aqueous solution: 0.918480E+03 g Temperature = 250.00 C Pressure = 40.55 bar Mixer frac. = 0.0000000 Log Log Vol Gas or mineral Moles Moles Grams Grams Wt.% (cm3) H2O,gas 4.877 0.688 87.84 1.944 92.12 4295. CO2,gas 0.1661 -0.780 7.308 0.864 7.665 188.8 CH4,gas 0.3047E-02 -2.516 0.4887E-01 -1.311 0.5126E-01 3.829 H2,gas 0.4526E-02 -2.344 0.9143E-02 -2.039 0.9590E-02 4.929 H2S,gas 0.4250E-02 -2.372 0.1449 -0.839 0.1519 4.305 CO,gas 0.2025E-05 -5.694 0.5671E-04 -4.246 0.5948E-04 0.2172E-02 SO2,gas 0.2787E-12 -12.555 0.1785E-10 -10.748 0.1872E-10 0.2989E-09 HF,gas 0.1508E-06 -6.822 0.3016E-05 -5.521 0.3163E-05 0.1617E-03 HCl,gas 0.1402E-08 -8.853 0.5111E-07 -7.291 0.5361E-07 0.1504E-05 Hg,gas 0.3780E-08 -8.423 0.7582E-06 -6.120 0.7952E-06 0.4054E-05 clinochlore 0.2658E-07 -7.575 0.1477E-04 -4.830 0.1407E-01 0.5620E-05 daphnite 0.1284E-08 -8.891 0.9162E-06 -6.038 0.8722E-03 0.2776E-06 chlorite-Mn 0.2323E-11 -11.634 0.1647E-08 -8.783 0.1568E-05 0.5249E-09 quartz 0.1748E-02 -2.757 0.1050 -0.979 99.99 0.3966E-01 Partial press. Fugacity coef Log fugacity Gas or Mineral Mole fraction or activity Activity coef Log activity H2O,gas 0.9648E+00 0.3913E+02 0.8539 1.524 CO2,gas 0.3285E-01 0.1332E+01 0.9937 0.122 CH4,gas 0.6028E-03 0.2444E-01 1.1448 -1.553 H2,gas 0.8954E-03 0.3631E-01 1.0154 -1.433 H2S,gas 0.8408E-03 0.3410E-01 0.9442 -1.492 CO,gas 0.4005E-06 0.1624E-04 1.0000 -4.789 SO2,gas 0.5513E-13 0.2236E-11 1.0000 -11.651 HF,gas 0.2983E-07 0.1210E-05 1.0000 -5.917 HCl,gas 0.2773E-09 0.1125E-07 1.0000 -7.949 Hg,gas 0.7477E-09 0.3032E-07 1.0000 -7.518 clinochlore 0.9538E+00 0.9538E+00 1.0000 -0.021 daphnite 0.4608E-01 0.4608E-01 1.0000 -1.336 chlorite-Mn 0.8336E-04 0.8336E-04 1.0000 -4.079 quartz 0.1000E+01 0.1000E+01 1.0000 0.000 Current weight percent of gas: 9.403784 % Solid products produced: Mass = 0.105043 g Volume = 0.039669 cm3 WARNING: mineral volume may be in error because some mineral densities were not supplied in SOLTHERM. See mineral list in file Skip_Species.txt. NON-Ideal mixing with H2O, CO2, CH4 Gases ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ The following gases and minerals are presently in matrix or were just added Gas or Mineral Log K Log Q Log(Q/K) Log(Q/K)/S Affinity Log Fugacity 1 H2O,gas 0.08 0.08 -0.00 -0.000 0.23070E-08 2 CO2,gas -8.10 -8.10 0.00 0.000 -0.78243E-09 3 CH4,gas 4.84 4.84 0.00 0.000 -0.22325E-08 4 H2,gas 5.86 5.86 0.00 0.000 -0.19773E-09 5 H2S,gas -7.08 -7.08 -0.00 -0.000 0.71439E-09 6 CO,gas -0.37 -0.37 0.00 0.000 -0.53154E-12 7 SO2,gas -5.38 -5.38 0.00 0.000 -0.42523E-11 8 HF,gas -2.97 -2.97 0.00 0.000 0.00000E+00 9 HCl,gas 1.17 1.17 0.00 0.000 -0.10631E-11 10 Hg,gas -8.74 -8.74 0.00 0.000 -0.85047E-11 43 clinochlore 15.64 15.64 0.00 0.000 0.00000E+00 44 daphnite 7.93 7.93 0.00 0.000 -0.31892E-10 45 chlorite-Mn 23.86 23.86 0.00 0.000 -0.51028E-10 146 quartz -2.18 -2.18 0.00 0.000 0.00000E+00 The following gases and minerals are presently EXCLUDED from matrix (Gases and minerals with log(Q/K) less than -5 are not listed below) Gas or Mineral Log K Log Q Log(Q/K) Log(Q/K)/S Affinity Log Fugacity 11 acmite 4.93 2.00 -2.92 -0.304 0.69930E+04 15 albite-high -3.26 -4.32 -1.06 -0.082 0.25445E+04 16 albite -3.77 -4.32 -0.55 -0.042 0.13117E+04 20 analcite -0.86 -2.14 -1.29 -0.143 0.30810E+04 21 andalusite -4.86 -7.89 -3.03 -0.303 0.72541E+04 22 andradite 23.38 20.33 -3.05 -0.158 0.72920E+04 23 grossular 13.94 12.03 -1.90 -0.095 0.45568E+04 24 anhydrite -8.45 -13.36 -4.91 -2.454 0.11747E+05 25 ankerite -6.03 -8.39 -2.35 -0.392 0.56295E+04 26 annite 7.50 2.90 -4.60 -0.256 0.11017E+05 27 phlogopite 12.78 11.47 -1.31 -0.073 0.31440E+04 29 anorthite -0.32 -1.98 -1.65 -0.127 0.39572E+04 32 aragonite -1.15 -1.49 -0.35 -0.116 0.83286E+03 33 brucite 8.27 5.56 -2.71 -0.542 0.64899E+04 34 calcite -1.30 -1.49 -0.20 -0.065 0.46900E+03 35 carnegieite-low 3.11 0.04 -3.07 -0.439 0.73489E+04 36 carnegieite-high 3.64 0.04 -3.60 -0.515 0.86225E+04 37 carpholite-Mg -2.12 -4.52 -2.39 -0.159 0.57249E+04 38 carpholite-Fe -3.56 -7.37 -3.81 -0.254 0.91256E+04 39 celadonite 0.33 -1.82 -2.15 -0.126 0.51454E+04 40 celadonite-Fe -0.96 -4.68 -3.72 -0.219 0.89147E+04 41 chrysotile 14.43 12.31 -2.12 -0.177 0.50705E+04 46 chlorite-Al-free 28.58 24.63 -3.95 -0.165 0.94611E+04 47 chloritoid-Mg 0.52 -2.34 -2.86 -0.191 0.68426E+04 48 chloritoid-Fe -2.29 -5.19 -2.91 -0.194 0.69565E+04 49 chloritoid-Mn -0.08 -4.75 -4.67 -0.311 0.11183E+05 51 coesite -1.72 -2.18 -0.46 -0.153 0.11012E+04 56 corundum -2.40 -5.71 -3.32 -0.301 0.79388E+04 58 cristobalite -1.97 -2.18 -0.21 -0.071 0.50989E+03 61 cymrite-K -1.74 -5.20 -3.46 -0.288 0.82814E+04 63 diaspore -1.62 -2.86 -1.24 -0.207 0.29713E+04 64 diamond -1.86 -3.95 -2.10 -0.600 0.50235E+04 65 diopside 9.65 9.29 -0.36 -0.036 0.85630E+03 66 hedenbergite 8.12 6.44 -1.68 -0.168 0.40175E+04 67 dolomite,ordered -4.00 -5.53 -1.53 -0.255 0.36604E+04 68 eastonite 6.73 2.38 -4.35 -0.167 0.10417E+05 69 enstatite 9.51 6.76 -2.75 -0.275 0.65901E+04 70 clinoenstatite-HiP 10.30 6.76 -3.54 -0.354 0.84789E+04 71 clinoenstatite 9.44 6.76 -2.69 -0.269 0.64345E+04 72 protoenstatite 9.84 6.76 -3.08 -0.308 0.73825E+04 73 epidote 6.92 5.23 -1.69 -0.082 0.40416E+04 74 clinozoisite 2.92 1.08 -1.84 -0.084 0.44071E+04 75 epidote-Fe 13.34 9.38 -3.96 -0.206 0.94835E+04 76 fayalite 7.07 3.22 -3.85 -0.550 0.92213E+04 77 ferrosilite 5.00 1.04 -3.96 -0.396 0.94894E+04 78 forsterite 12.19 8.94 -3.25 -0.465 0.77870E+04 81 gibbsite -0.25 -2.86 -2.60 -0.372 0.62344E+04 82 glaucophane 7.17 3.67 -3.50 -0.095 0.83901E+04 84 goethite 3.40 1.29 -2.11 -0.457 0.50570E+04 85 graphite -2.23 -3.95 -1.72 -0.491 0.41163E+04 86 greenalite 8.61 3.74 -4.87 -0.406 0.11662E+05 88 halite 0.93 -3.31 -4.24 -2.120 0.10152E+05 89 hematite 5.92 2.58 -3.33 -0.404 0.79809E+04 90 heulandite -12.09 -12.87 -0.78 -0.036 0.18762E+04 94 jadeite 0.03 -2.14 -2.17 -0.217 0.52017E+04 96 kalsilite 2.26 -0.84 -3.11 -0.444 0.74409E+04 97 kaolinite -7.82 -10.07 -2.26 -0.205 0.54018E+04 98 kyanite -4.81 -7.89 -3.08 -0.308 0.73786E+04 100 laumontite -5.26 -6.34 -1.07 -0.072 0.25698E+04 101 lawsonite -0.41 -1.98 -1.57 -0.105 0.37590E+04 102 leucite -0.54 -3.02 -2.49 -0.249 0.59543E+04 104 lizardite 14.17 12.31 -1.86 -0.155 0.44409E+04 105 magnesite -2.05 -4.03 -1.98 -0.661 0.47474E+04 106 magnetite 9.77 5.28 -4.49 -0.366 0.10742E+05 107 minnesotaite 3.76 -0.62 -4.38 -0.258 0.10482E+05 108 minnesotaite-Mg 11.33 7.95 -3.38 -0.199 0.80889E+04 112 margarite -4.33 -7.69 -3.36 -0.134 0.80469E+04 115 microcline -4.93 -5.20 -0.27 -0.021 0.65192E+03 116 monticellite 15.41 11.47 -3.93 -0.562 0.94167E+04 118 mullite-Si -3.38 -7.89 -4.51 -0.451 0.10804E+05 119 muscovite -8.86 -10.92 -2.05 -0.121 0.49164E+04 120 paragonite -7.89 -10.04 -2.14 -0.126 0.51309E+04 121 nepheline 2.59 0.04 -2.55 -0.364 0.61065E+04 126 periclase 10.14 5.56 -4.58 -1.145 0.10964E+05 127 periclase-Fe 6.79 2.70 -4.09 -1.022 0.97826E+04 133 phlogopite-Na 14.30 12.35 -1.95 -0.108 0.46607E+04 135 prehnite 4.98 3.94 -1.04 -0.061 0.24894E+04 136 prehnite-Fe 9.74 8.09 -1.65 -0.099 0.39551E+04 137 pumpellyite-Fe 11.69 7.72 -3.97 -0.088 0.94981E+04 138 pumpellyite-Mg 13.69 10.58 -3.11 -0.069 0.74547E+04 140 px-Ca-tschermaks 4.30 0.20 -4.10 -0.293 0.98125E+04 141 pyrite -19.58 -20.48 -0.91 -0.214 0.21725E+04 142 pyrrhotite -5.90 -7.48 -1.59 -0.529 0.37981E+04 143 pyrrhotiteFe0.875 -7.05 -8.17 -1.12 -0.414 0.26918E+04 144 pyroxmangite 4.38 0.96 -3.42 -0.684 0.81900E+04 145 pyrophyllite -12.05 -14.43 -2.38 -0.148 0.56864E+04 151 rhodochrosite -2.71 -6.45 -3.74 -1.246 0.89493E+04 152 rhodonite 4.40 0.96 -3.44 -0.687 0.82259E+04 153 sanidine -4.07 -5.20 -1.14 -0.087 0.27178E+04 155 siderite -4.46 -6.89 -2.43 -0.811 0.58260E+04 156 sillimanite -4.72 -7.89 -3.18 -0.318 0.76036E+04 163 stilbite -10.99 -12.87 -1.89 -0.090 0.45145E+04 165 stilpnomelane-Mg 7.68 6.73 -0.95 -0.028 0.22645E+04 166 stishovite 2.15 -2.18 -4.33 -1.443 0.10361E+05 168 sudoite -1.90 -6.85 -4.96 -0.160 0.11862E+05 169 sulfur -8.79 -13.00 -4.21 -1.297 0.10090E+05 171 talc 8.47 7.95 -0.52 -0.031 0.12449E+04 173 talc-tschermaks 3.14 -1.14 -4.28 -0.252 0.10247E+05 178 topaz-H -3.99 -7.89 -3.90 -0.355 0.93418E+04 179 tridymite -1.99 -2.18 -0.19 -0.063 0.45244E+03 180 tremolite 26.96 26.54 -0.42 -0.011 0.99689E+03 182 troilite-low -5.92 -7.48 -1.56 -0.521 0.37383E+04 183 tschermakite 13.12 8.36 -4.76 -0.129 0.11405E+05 188 wairakite -5.66 -6.34 -0.67 -0.039 0.16070E+04 189 walstromite 7.62 5.92 -1.70 -0.341 0.40809E+04 190 wollastonite 6.89 5.92 -0.97 -0.194 0.23262E+04 191 pseudo-wollastonite 7.20 5.92 -1.28 -0.257 0.30755E+04 192 zoisite 2.96 1.08 -1.87 -0.085 0.44861E+04 193 beidellite-Ca -10.35 -13.32 -2.97 -0.184 0.71086E+04 194 beidellite-H -10.67 -14.65 -3.99 -0.254 0.95425E+04 195 beidellite-K -9.73 -13.27 -3.54 -0.217 0.84860E+04 196 beidellite-Mg -10.59 -13.74 -3.15 -0.195 0.75342E+04 197 beidellite-Na -9.68 -12.98 -3.30 -0.202 0.79102E+04 198 bornite -68.13 -68.64 -0.52 -0.039 0.12348E+04 200 chalcedony -2.04 -2.18 -0.13 -0.045 0.32078E+03 201 chalcocite -20.25 -21.86 -1.62 -0.404 0.38687E+04 202 covellite -15.30 -17.43 -2.14 -0.813 0.51109E+04 204 montmorillonite-Ca -8.53 -10.32 -1.79 -0.111 0.42803E+04 205 montmorillonite-K -8.03 -10.27 -2.24 -0.137 0.53537E+04 206 montmorillonite-Mg -8.79 -10.74 -1.94 -0.120 0.46557E+04 207 montmorillonite-Na -7.89 -9.98 -2.09 -0.128 0.49958E+04 209 nontronite-Ca -1.53 -5.02 -3.50 -0.227 0.83668E+04 210 nontronite-H -1.85 -6.36 -4.51 -0.302 0.10789E+05 211 nontronite-K -0.91 -4.98 -4.07 -0.261 0.97418E+04 212 nontronite-Mg -1.77 -5.44 -3.68 -0.238 0.87996E+04 213 nontronite-Na -0.85 -4.68 -3.83 -0.246 0.91708E+04 215 topaz -23.93 -28.89 -4.97 -0.552 0.11890E+05 226 portlandite 13.09 8.10 -4.99 -0.999 0.11952E+05 229 tobermorite 8.12 4.56 -3.56 -0.972 0.85240E+04 235 alabandite -3.15 -7.04 -3.89 -1.296 0.93081E+04 240 boehmite -0.76 -2.86 -2.10 -0.349 0.50156E+04 242 chalcopyrite -24.36 -24.92 -0.56 -0.104 0.13397E+04 245 copper,native -0.96 -4.43 -3.47 -1.208 0.83141E+04 246 dolomite,disordered -3.68 -5.53 -1.85 -0.309 0.44312E+04 247 ferrous-oxide 5.44 2.70 -2.74 -0.684 0.65533E+04 248 fluorite -11.55 -12.91 -1.35 -0.450 0.32322E+04 249 galena -10.10 -10.58 -0.48 -0.159 0.11405E+04 257 silica-amorphous -1.67 -2.18 -0.51 -0.169 0.12137E+04 260 sphalerite -10.12 -11.40 -1.28 -0.427 0.30673E+04 261 wurtzite -8.82 -11.40 -2.58 -0.861 0.61865E+04 263 an20ab80 -3.30 -3.85 -0.55 -0.042 0.13213E+04 264 an25ab75 -3.16 -3.74 -0.58 -0.045 0.13877E+04 265 an30ab70 -3.00 -3.62 -0.61 -0.047 0.14709E+04 266 tr.625ac.25prg.125 22.79 22.38 -0.40 -0.011 0.95919E+03 271 FeS-amorphous -4.12 -7.48 -3.36 -1.121 0.80472E+04 Calculations done for 250.0000 Deg. C; 40.5532 bar Enthalpies: Pure water 4.6708 kcal/mole H2O,gas 12.0256 kcal/mole CO2,gas 3.4329 kcal/mole CH4,gas 3.3480 kcal/mole Current solution 237.3003 Gas 59.2303 kcal Total current enthalpy 296.5306 kcal Starting enthalpy 296.5306 kcal Temperature changed by -2.000 degrees to 248.000 degrees C. Solids and gases carried ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ Test file for CHIM-XPT. Boil Broadlands Water Water similar to Broadlands Well No. 2 CHIMRUN demo-2a ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ Number of loops used = 14 Loop limit = 200 Temperature = 248.00 C Pressure = 39.14 bar Mixer fraction = 0.0000000 Total current enthalpy = 296.5306 KCAL Water: Moles liquid = 0.5052E+02 kg liquid = 0.9102E+00 Moles total = 0.5551E+02 kg total = 0.1000E+01 Activity = 0.9998 Stoichiometric ionic strength = .4319348E-01 Osmotic coef. = 0.8976 True ionic strength = .3513594E-01 Chg. balance for total moles = 0.2402E-07 Max. difference allowed = 0.3072E-05 Log Log Log Species(n) Molality Molality Activity Activity Gamma Gamma 1 H+ 0.24718E-06 -6.6070 0.17682E-06 -6.7525 0.71535E+00 -0.1455 2 H2O 0.99976E+00 -0.0001 0.99976E+00 -0.0001 3 Cl- 0.32270E-01 -1.4912 0.22750E-01 -1.6430 0.70499E+00 -0.1518 4 SO4-- 0.43621E-07 -7.3603 0.11845E-07 -7.9265 0.27155E+00 -0.5662 5 HCO3- 0.19839E-02 -2.7025 0.14076E-02 -2.8515 0.70950E+00 -0.1490 6 HS- 0.50958E-03 -3.2928 0.35949E-03 -3.4443 0.70547E+00 -0.1515 7 H4SiO4 0.65007E-02 -2.1870 0.65007E-02 -2.1870 0.10000E+01 0.0000 8 Al+++ 0.16433E-21 -21.7843 0.85580E-23 -23.0676 0.52078E-01 -1.2833 9 Ca++ 0.16476E-04 -4.7832 0.43694E-05 -5.3596 0.26521E+00 -0.5764 10 Mg++ 0.46881E-07 -7.3290 0.12211E-07 -7.9133 0.26047E+00 -0.5843 11 Fe++ 0.63345E-10 -10.1983 0.16573E-10 -10.7806 0.26163E+00 -0.5823 12 K+ 0.40490E-02 -2.3927 0.28778E-02 -2.5409 0.71075E+00 -0.1483 13 Na+ 0.31015E-01 -1.5084 0.21874E-01 -1.6601 0.70527E+00 -0.1516 14 Mn++ 0.19263E-09 -9.7153 0.50566E-10 -10.2961 0.26250E+00 -0.5809 15 Zn++ 0.84775E-14 -14.0717 0.22180E-14 -14.6540 0.26163E+00 -0.5823 16 Cu+ 0.35592E-12 -12.4487 0.25096E-12 -12.6004 0.70511E+00 -0.1517 17 Pb++ 0.52757E-13 -13.2777 0.14146E-13 -13.8494 0.26814E+00 -0.5716 18 Hg++ 0.21205E-33 -33.6736 0.56565E-34 -34.2475 0.26675E+00 -0.5739 19 F- 0.24998E-03 -3.6021 0.17414E-03 -3.7591 0.69659E+00 -0.1570 21 HSiO3- 0.46355E-04 -4.3339 0.32679E-04 -4.4857 0.70499E+00 -0.1518 22 Ca(HSiO3)+ 0.12955E-06 -6.8875 0.92156E-07 -7.0355 0.71133E+00 -0.1479 23 Mg(HSiO3)+ 0.25348E-09 -9.5961 0.18031E-09 -9.7440 0.71133E+00 -0.1479 24 NaHSiO3,aq 0.95617E-05 -5.0195 0.95617E-05 -5.0195 0.10000E+01 0.0000 27 HAlO2,aq 0.75789E-08 -8.1204 0.75789E-08 -8.1204 0.10000E+01 0.0000 28 AlO2- 0.24054E-05 -5.6188 0.16788E-05 -5.7750 0.69792E+00 -0.1562 29 CH4,aq 0.55858E-04 -4.2529 0.55145E-04 -4.2585 0.98724E+00 -0.0056 34 CO,aq 0.42118E-07 -7.3755 0.42118E-07 -7.3755 0.10000E+01 0.0000 35 CO2,aq 0.12111E-01 -1.9168 0.11957E-01 -1.9224 0.98724E+00 -0.0056 36 CO3-2 0.41566E-06 -6.3813 0.11201E-06 -6.9507 0.26948E+00 -0.5695 37 CaCO3,aq 0.85529E-06 -6.0679 0.85529E-06 -6.0679 0.10000E+01 0.0000 38 Ca(HCO3)+ 0.86220E-05 -5.0644 0.61331E-05 -5.2123 0.71133E+00 -0.1479 39 CaCl+ 0.97138E-05 -5.0126 0.69097E-05 -5.1605 0.71133E+00 -0.1479 40 CaCl2,aq 0.12963E-06 -6.8873 0.12963E-06 -6.8873 0.10000E+01 0.0000 41 CaF+ 0.77272E-06 -6.1120 0.54966E-06 -6.2599 0.71133E+00 -0.1479 42 CaOH+ 0.24280E-05 -5.6147 0.17271E-05 -5.7627 0.71133E+00 -0.1479 43 CaSO4,aq 0.66810E-09 -9.1752 0.66810E-09 -9.1752 0.10000E+01 0.0000 44 HCl,aq 0.93261E-08 -8.0303 0.93261E-08 -8.0303 0.10000E+01 0.0000 53 CuCl,aq 0.53460E-10 -10.2720 0.53460E-10 -10.2720 0.10000E+01 0.0000 54 CuCl2- 0.36970E-10 -10.4322 0.26063E-10 -10.5840 0.70499E+00 -0.1518 61 HF,aq 0.79572E-05 -5.0992 0.79572E-05 -5.0992 0.10000E+01 0.0000 62 HF2- 0.59275E-09 -9.2271 0.41788E-09 -9.3789 0.70499E+00 -0.1518 64 FeCl+ 0.24060E-10 -10.6187 0.17115E-10 -10.7666 0.71133E+00 -0.1479 69 FeO,aq 0.62089E-09 -9.2070 0.62089E-09 -9.2070 0.10000E+01 0.0000 70 FeOH+ 0.54939E-09 -9.2601 0.39079E-09 -9.4081 0.71133E+00 -0.1479 71 HFeO2- 0.18771E-09 -9.7265 0.13233E-09 -9.8783 0.70499E+00 -0.1518 74 FeO2- 0.17653E-09 -9.7532 0.12445E-09 -9.9050 0.70499E+00 -0.1518 75 HFeO2,aq 0.60906E-10 -10.2153 0.60906E-10 -10.2153 0.10000E+01 0.0000 76 H2,aq 0.83819E-04 -4.0767 0.82750E-04 -4.0822 0.98724E+00 -0.0056 77 Hg,aq 0.21450E-09 -9.6686 0.21176E-09 -9.6742 0.98724E+00 -0.0056 90 KCl,aq 0.32844E-04 -4.4835 0.32844E-04 -4.4835 0.10000E+01 0.0000 92 KOH,aq 0.42435E-06 -6.3723 0.42435E-06 -6.3723 0.10000E+01 0.0000 93 KSO4- 0.12051E-07 -7.9190 0.84961E-08 -8.0708 0.70499E+00 -0.1518 94 MgCO3,aq 0.26800E-09 -9.5719 0.26800E-09 -9.5719 0.10000E+01 0.0000 95 Mg(HCO3)+ 0.21886E-07 -7.6598 0.15568E-07 -7.8078 0.71133E+00 -0.1479 96 MgCl+ 0.13088E-07 -7.8831 0.93101E-08 -8.0310 0.71133E+00 -0.1479 97 MgF+ 0.58716E-08 -8.2312 0.41766E-08 -8.3792 0.71133E+00 -0.1479 98 MgOH+ 0.21129E-07 -7.6751 0.15030E-07 -7.8231 0.71133E+00 -0.1479 101 MnO,aq 0.55773E-10 -10.2536 0.55773E-10 -10.2536 0.10000E+01 0.0000 102 MnOH+ 0.24713E-09 -9.6071 0.17579E-09 -9.7550 0.71133E+00 -0.1479 107 MnCl+ 0.14069E-08 -8.8517 0.10008E-08 -8.9997 0.71133E+00 -0.1479 109 NaCl,aq 0.14375E-02 -2.8424 0.14375E-02 -2.8424 0.10000E+01 0.0000 110 NaF,aq 0.90903E-05 -5.0414 0.90903E-05 -5.0414 0.10000E+01 0.0000 111 NaOH,aq 0.20784E-05 -5.6823 0.20784E-05 -5.6823 0.10000E+01 0.0000 113 OH- 0.55114E-04 -4.2587 0.38465E-04 -4.4149 0.69792E+00 -0.1562 122 PbO,aq 0.13224E-10 -10.8786 0.13224E-10 -10.8786 0.10000E+01 0.0000 124 Pb(HS)2,aq 0.11730E-07 -7.9307 0.11730E-07 -7.9307 0.10000E+01 0.0000 125 Pb(HS)3- 0.22673E-09 -9.6445 0.15984E-09 -9.7963 0.70499E+00 -0.1518 126 H2S,aq 0.10086E-02 -2.9963 0.99577E-03 -3.0018 0.98724E+00 -0.0056 127 S2-2 0.14401E-09 -9.8416 0.38807E-10 -10.4111 0.26948E+00 -0.5695 134 HSO3- 0.20091E-10 -10.6970 0.14164E-10 -10.8488 0.70499E+00 -0.1518 135 HSO4- 0.49825E-09 -9.3026 0.35547E-09 -9.4492 0.71345E+00 -0.1466 154 ZnOH+ 0.96720E-10 -10.0145 0.68800E-10 -10.1624 0.71133E+00 -0.1479 159 AlF3,aq 0.16799E-09 -9.7747 0.16799E-09 -9.7747 0.10000E+01 0.0000 160 AlF4- 0.18833E-09 -9.7251 0.13277E-09 -9.8769 0.70499E+00 -0.1518 164 Cu(HS)2- 0.68373E-07 -7.1651 0.48202E-07 -7.3169 0.70499E+00 -0.1518 166 CuH4S3-b 0.58293E-10 -10.2344 0.41096E-10 -10.3862 0.70499E+00 -0.1518 180 MnCl2,aq 0.87729E-09 -9.0569 0.87729E-09 -9.0569 0.10000E+01 0.0000 181 MnCl3- 0.14490E-09 -9.8389 0.10215E-09 -9.9908 0.70499E+00 -0.1518 182 MnCO3,aq 0.66177E-10 -10.1793 0.66177E-10 -10.1793 0.10000E+01 0.0000 183 NaCO3- 0.22208E-06 -6.6535 0.15656E-06 -6.8053 0.70499E+00 -0.1518 184 NaHCO3,aq 0.65994E-04 -4.1805 0.65994E-04 -4.1805 0.10000E+01 0.0000 185 NaHS,aq 0.16855E-04 -4.7733 0.16855E-04 -4.7733 0.10000E+01 0.0000 186 NaSO4- 0.18163E-07 -7.7408 0.12804E-07 -7.8926 0.70499E+00 -0.1518 187 PbCO3,aq 0.15856E-09 -9.7998 0.15856E-09 -9.7998 0.10000E+01 0.0000 188 PbOH+ 0.53919E-10 -10.2683 0.38354E-10 -10.4162 0.71133E+00 -0.1479 189 PbH4S3,aq 0.10985E-10 -10.9592 0.10985E-10 -10.9592 0.10000E+01 0.0000 193 Zn(HS)2,aq 0.16428E-07 -7.7844 0.16428E-07 -7.7844 0.10000E+01 0.0000 194 Zn(HS)3- 0.26983E-09 -9.5689 0.19022E-09 -9.7207 0.70499E+00 -0.1518 Charge balance for all species = 0.2639E-07 Component Molality Aq.molality ppm log[A(N)/A(H+)**Z] (total) 1 H+ 0.2471782E-06 0.1298015E-01 0.1303822E+02 0.0000 2 H2O 0.1000000E+01 0.5549629E+02 0.9963439E+06 0.0000 3 Cl- 0.3227037E-01 0.3375066E-01 0.1192447E+04 5.1095 4 SO4-- 0.4362086E-07 -.7674793E-04 -.7347174E+01 5.5785 5 HCO3- 0.1983899E-02 0.1422740E-01 0.8651309E+03 3.9009 6 HS- 0.5095788E-03 0.1612093E-02 0.5313179E+02 3.3082 7 H4SiO4 0.6500658E-02 0.6556704E-02 0.6280329E+03 -2.1870 8 Al+++ 0.1643305E-21 0.2413387E-05 0.6489284E-01 -2.8102 9 Ca++ 0.1647557E-04 0.3912726E-04 0.1562749E+01 8.1454 10 Mg++ 0.4688110E-07 0.1093826E-06 0.2650164E-02 5.5917 11 Fe++ 0.6334506E-10 0.1687815E-08 0.9393524E-04 2.7243 12 K+ 0.4048967E-02 0.4082248E-02 0.1590751E+03 4.2115 13 Na+ 0.3101498E-01 0.3255625E-01 0.7458876E+03 5.0924 14 Mn++ 0.1926347E-09 0.2996705E-08 0.1640668E-03 3.2088 15 Zn++ 0.8477515E-14 0.1680932E-07 0.1095046E-02 -1.1491 16 Cu+ 0.3559156E-12 0.6852721E-07 0.4339244E-02 -5.8479 17 Pb++ 0.5275719E-13 0.1219500E-07 0.2517992E-02 -0.3444 18 Hg++ 0.2120528E-33 0.2155353E-09 0.4308554E-04 -20.7425 19 F- 0.2499819E-03 0.2678105E-03 0.5070365E+01 2.9934 Component Tot moles Aq. moles Solid moles Gas moles 1 H+ 0.1822172E+00 0.1181466E-01 -.4559460E-06 0.1704030E+00 2 H2O 0.5550825E+02 0.5051324E+02 -.3774403E-02 0.4998791E+01 3 Cl- 0.3072017E-01 0.3072017E-01 0.0000000E+00 0.1339646E-08 4 SO4-- -.4257700E-02 -.6985668E-04 0.0000000E+00 -.4187843E-02 5 HCO3- 0.1832100E+00 0.1294992E-01 0.0000000E+00 0.1702601E+00 6 HS- 0.9985820E-02 0.1467342E-02 0.0000000E+00 0.8518477E-02 7 H4SiO4 0.7855346E-02 0.5967973E-02 0.1887372E-02 0.0000000E+00 8 Al+++ 0.2253680E-05 0.2196687E-05 0.5699325E-07 0.0000000E+00 9 Ca++ 0.3561400E-04 0.3561400E-04 0.0000000E+00 0.0000000E+00 10 Mg++ 0.2355503E-06 0.9956106E-07 0.1359892E-06 0.0000000E+00 11 Fe++ 0.8017372E-08 0.1536265E-08 0.6481107E-08 0.0000000E+00 12 K+ 0.3715700E-02 0.3715700E-02 0.0000000E+00 0.0000000E+00 13 Na+ 0.2963300E-01 0.2963300E-01 0.0000000E+00 0.0000000E+00 14 Mn++ 0.2740424E-08 0.2727629E-08 0.1279468E-10 0.0000000E+00 15 Zn++ 0.1530000E-07 0.1530000E-07 0.0000000E+00 0.0000000E+00 16 Cu+ 0.6237410E-07 0.6237410E-07 0.0000000E+00 0.0000000E+00 17 Pb++ 0.1110000E-07 0.1110000E-07 0.0000000E+00 0.0000000E+00 18 Hg++ 0.4000000E-08 0.1961822E-09 0.0000000E+00 0.3803818E-08 19 F- 0.2439100E-03 0.2437636E-03 0.0000000E+00 0.1464320E-06 Chg. balance for solid moles: -.2630E-17 Mass of aqueous solution: 0.913350E+03 g Temperature = 248.00 C Pressure = 39.14 bar Mixer frac. = 0.0000000 Log Log Vol Gas or mineral Moles Moles Grams Grams Wt.% (cm3) H2O,gas 5.158 0.713 92.90 1.968 92.47 4713. CO2,gas 0.1672 -0.777 7.360 0.867 7.326 195.9 CH4,gas 0.3020E-02 -2.520 0.4843E-01 -1.315 0.4821E-01 3.903 H2,gas 0.4671E-02 -2.331 0.9436E-02 -2.025 0.9392E-02 5.247 H2S,gas 0.4331E-02 -2.363 0.1476 -0.831 0.1469 4.533 CO,gas 0.1918E-05 -5.717 0.5371E-04 -4.270 0.5346E-04 0.2123E-02 SO2,gas 0.2645E-12 -12.578 0.1695E-10 -10.771 0.1687E-10 0.2928E-09 HF,gas 0.1464E-06 -6.834 0.2929E-05 -5.533 0.2915E-05 0.1621E-03 HCl,gas 0.1340E-08 -8.873 0.4884E-07 -7.311 0.4862E-07 0.1483E-05 Hg,gas 0.3804E-08 -8.420 0.7630E-06 -6.117 0.7595E-06 0.4211E-05 clinochlore 0.2720E-07 -7.565 0.1512E-04 -4.821 0.1333E-01 0.5750E-05 daphnite 0.1296E-08 -8.887 0.9249E-06 -6.034 0.8155E-03 0.2803E-06 chlorite-Mn 0.2559E-11 -11.592 0.1814E-08 -8.741 0.1600E-05 0.5781E-09 quartz 0.1887E-02 -2.724 0.1134 -0.945 99.99 0.4282E-01 Partial press. Fugacity coef Log fugacity Gas or Mineral Mole fraction or activity Activity coef Log activity H2O,gas 0.9664E+00 0.3783E+02 0.8567 1.511 CO2,gas 0.3133E-01 0.1226E+01 0.9953 0.087 CH4,gas 0.5657E-03 0.2214E-01 1.1421 -1.597 H2,gas 0.8751E-03 0.3426E-01 1.0150 -1.459 H2S,gas 0.8113E-03 0.3176E-01 0.9454 -1.523 CO,gas 0.3592E-06 0.1406E-04 1.0000 -4.852 SO2,gas 0.4956E-13 0.1940E-11 1.0000 -11.712 HF,gas 0.2743E-07 0.1074E-05 1.0000 -5.969 HCl,gas 0.2510E-09 0.9824E-08 1.0000 -8.008 Hg,gas 0.7126E-09 0.2790E-07 1.0000 -7.554 clinochlore 0.9544E+00 0.9544E+00 1.0000 -0.020 daphnite 0.4549E-01 0.4549E-01 1.0000 -1.342 chlorite-Mn 0.8980E-04 0.8980E-04 1.0000 -4.047 quartz 0.1000E+01 0.1000E+01 1.0000 0.000 Current weight percent of gas: 9.908701 % Solid products produced: Mass = 0.113404 g Volume = 0.042826 cm3 WARNING: mineral volume may be in error because some mineral densities were not supplied in SOLTHERM. See mineral list in file Skip_Species.txt. NON-Ideal mixing with H2O, CO2, CH4 Gases ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ The following gases and minerals are presently in matrix or were just added Gas or Mineral Log K Log Q Log(Q/K) Log(Q/K)/S Affinity Log Fugacity 1 H2O,gas 0.08 0.08 -0.00 -0.000 0.16575E-08 2 CO2,gas -8.10 -8.10 0.00 0.000 -0.55916E-09 3 CH4,gas 4.82 4.82 0.00 0.000 -0.15991E-08 4 H2,gas 5.86 5.86 0.00 0.000 -0.13979E-09 5 H2S,gas -7.08 -7.08 -0.00 -0.000 0.51892E-09 6 CO,gas -0.35 -0.35 -0.00 -0.000 0.21180E-11 7 SO2,gas -5.32 -5.32 -0.00 -0.000 0.84721E-11 8 HF,gas -2.95 -2.95 0.00 0.000 0.00000E+00 9 HCl,gas 1.20 1.20 -0.00 -0.000 0.47656E-11 10 Hg,gas -8.79 -8.79 -0.00 -0.000 0.84721E-11 43 clinochlore 15.88 15.88 0.00 0.000 -0.33889E-10 44 daphnite 8.15 8.15 0.00 0.000 -0.16944E-10 45 chlorite-Mn 24.10 24.10 0.00 0.000 -0.42361E-10 146 quartz -2.19 -2.19 0.00 0.000 0.00000E+00 The following gases and minerals are presently EXCLUDED from matrix (Gases and minerals with log(Q/K) less than -5 are not listed below) Gas or Mineral Log K Log Q Log(Q/K) Log(Q/K)/S Affinity Log Fugacity 11 acmite 4.96 2.04 -2.92 -0.303 0.69548E+04 15 albite-high -3.22 -4.28 -1.06 -0.082 0.25329E+04 16 albite -3.74 -4.28 -0.54 -0.042 0.12920E+04 20 analcite -0.81 -2.09 -1.28 -0.142 0.30522E+04 21 andalusite -4.76 -7.81 -3.05 -0.305 0.72767E+04 22 andradite 23.54 20.52 -3.02 -0.157 0.72134E+04 23 grossular 14.14 12.25 -1.88 -0.094 0.44904E+04 24 anhydrite -8.40 -13.29 -4.89 -2.443 0.11651E+05 25 ankerite -5.97 -8.34 -2.36 -0.394 0.56372E+04 26 annite 7.63 3.01 -4.62 -0.257 0.11012E+05 27 phlogopite 12.93 11.62 -1.31 -0.073 0.31330E+04 29 anorthite -0.18 -1.85 -1.66 -0.128 0.39693E+04 32 aragonite -1.12 -1.46 -0.34 -0.114 0.81785E+03 33 brucite 8.31 5.59 -2.72 -0.544 0.64833E+04 34 calcite -1.27 -1.46 -0.19 -0.064 0.45519E+03 35 carnegieite-low 3.17 0.10 -3.07 -0.439 0.73270E+04 36 carnegieite-high 3.70 0.10 -3.61 -0.516 0.86073E+04 37 carpholite-Mg -2.01 -4.40 -2.39 -0.160 0.57089E+04 38 carpholite-Fe -3.45 -7.27 -3.82 -0.255 0.91115E+04 39 celadonite 0.38 -1.75 -2.13 -0.126 0.50912E+04 40 celadonite-Fe -0.90 -4.62 -3.72 -0.219 0.88664E+04 41 chrysotile 14.53 12.40 -2.12 -0.177 0.50657E+04 46 chlorite-Al-free 28.76 24.80 -3.96 -0.165 0.94453E+04 47 chloritoid-Mg 0.66 -2.22 -2.87 -0.192 0.68501E+04 48 chloritoid-Fe -2.16 -5.08 -2.92 -0.195 0.69606E+04 49 chloritoid-Mn 0.04 -4.60 -4.64 -0.310 0.11073E+05 51 coesite -1.73 -2.19 -0.46 -0.154 0.11006E+04 56 corundum -2.28 -5.62 -3.34 -0.303 0.79610E+04 58 cristobalite -1.97 -2.19 -0.22 -0.072 0.51272E+03 61 cymrite-K -1.71 -5.16 -3.45 -0.288 0.82378E+04 63 diaspore -1.57 -2.81 -1.24 -0.207 0.29645E+04 64 diamond -1.86 -3.99 -2.12 -0.607 0.50624E+04 65 diopside 9.72 9.36 -0.36 -0.036 0.84779E+03 66 hedenbergite 8.18 6.50 -1.68 -0.168 0.40117E+04 67 dolomite,ordered -3.93 -5.47 -1.54 -0.256 0.36657E+04 68 eastonite 6.96 2.59 -4.37 -0.168 0.10415E+05 69 enstatite 9.59 6.81 -2.78 -0.278 0.66232E+04 70 clinoenstatite-HiP 10.38 6.81 -3.57 -0.357 0.85113E+04 71 clinoenstatite 9.52 6.81 -2.71 -0.271 0.64672E+04 72 protoenstatite 9.92 6.81 -3.11 -0.311 0.74176E+04 73 epidote 7.11 5.43 -1.68 -0.081 0.40045E+04 74 clinozoisite 3.14 1.30 -1.84 -0.084 0.43811E+04 75 epidote-Fe 13.51 9.56 -3.96 -0.205 0.94320E+04 76 fayalite 7.14 3.26 -3.88 -0.555 0.92573E+04 77 ferrosilite 5.07 1.07 -3.99 -0.399 0.95241E+04 78 forsterite 12.28 9.00 -3.28 -0.469 0.78209E+04 81 gibbsite -0.21 -2.81 -2.60 -0.372 0.62084E+04 82 glaucophane 7.34 3.84 -3.50 -0.094 0.83365E+04 84 goethite 3.44 1.32 -2.12 -0.457 0.50443E+04 85 graphite -2.24 -3.99 -1.74 -0.498 0.41575E+04 86 greenalite 8.69 3.80 -4.89 -0.408 0.11663E+05 88 halite 0.94 -3.30 -4.25 -2.124 0.10129E+05 89 hematite 5.99 2.64 -3.35 -0.406 0.79793E+04 90 heulandite -12.02 -12.78 -0.76 -0.035 0.18228E+04 94 jadeite 0.08 -2.09 -2.17 -0.217 0.51674E+04 96 kalsilite 2.32 -0.79 -3.11 -0.444 0.74081E+04 97 kaolinite -7.74 -9.99 -2.25 -0.205 0.53659E+04 98 kyanite -4.71 -7.81 -3.10 -0.310 0.73968E+04 100 laumontite -5.17 -6.22 -1.05 -0.070 0.25056E+04 101 lawsonite -0.30 -1.85 -1.55 -0.103 0.36996E+04 102 leucite -0.49 -2.97 -2.49 -0.249 0.59298E+04 104 lizardite 14.26 12.40 -1.86 -0.155 0.44290E+04 105 magnesite -2.01 -4.01 -2.00 -0.666 0.47672E+04 106 magnetite 9.88 5.36 -4.51 -0.368 0.10760E+05 107 minnesotaite 3.83 -0.57 -4.41 -0.259 0.10505E+05 108 minnesotaite-Mg 11.43 8.03 -3.40 -0.200 0.81071E+04 112 margarite -4.10 -7.47 -3.37 -0.135 0.80447E+04 115 microcline -4.90 -5.16 -0.26 -0.020 0.61636E+03 116 monticellite 15.50 11.55 -3.95 -0.564 0.94109E+04 118 mullite-Si -3.27 -7.81 -4.54 -0.454 0.10831E+05 119 muscovite -8.74 -10.78 -2.04 -0.120 0.48756E+04 120 paragonite -7.76 -9.90 -2.14 -0.126 0.51014E+04 121 nepheline 2.65 0.10 -2.55 -0.365 0.60851E+04 126 periclase 10.20 5.59 -4.60 -1.151 0.10980E+05 127 periclase-Fe 6.83 2.72 -4.11 -1.028 0.98022E+04 133 phlogopite-Na 14.45 12.50 -1.96 -0.109 0.46652E+04 135 prehnite 5.13 4.11 -1.02 -0.060 0.24415E+04 136 prehnite-Fe 9.87 8.24 -1.64 -0.098 0.38994E+04 137 pumpellyite-Fe 12.06 8.13 -3.93 -0.087 0.93654E+04 138 pumpellyite-Mg 14.07 11.00 -3.07 -0.068 0.73216E+04 140 px-Ca-tschermaks 4.45 0.34 -4.12 -0.294 0.98132E+04 141 pyrite -19.57 -20.48 -0.91 -0.214 0.21724E+04 142 pyrrhotite -5.87 -7.47 -1.60 -0.535 0.38255E+04 143 pyrrhotiteFe0.875 -7.02 -8.16 -1.14 -0.419 0.27145E+04 144 pyroxmangite 4.42 1.02 -3.39 -0.679 0.80935E+04 145 pyrophyllite -11.99 -14.37 -2.38 -0.149 0.56777E+04 151 rhodochrosite -2.68 -6.40 -3.71 -1.238 0.88557E+04 152 rhodonite 4.43 1.02 -3.41 -0.682 0.81299E+04 153 sanidine -4.03 -5.16 -1.12 -0.087 0.26824E+04 155 siderite -4.43 -6.88 -2.45 -0.817 0.58461E+04 156 sillimanite -4.61 -7.81 -3.20 -0.320 0.76273E+04 163 stilbite -10.94 -12.78 -1.84 -0.088 0.43856E+04 165 stilpnomelane-Mg 7.89 6.95 -0.94 -0.028 0.22364E+04 166 stishovite 2.15 -2.19 -4.34 -1.447 0.10353E+05 168 sudoite -1.65 -6.62 -4.97 -0.160 0.11853E+05 169 sulfur -8.78 -13.01 -4.23 -1.301 0.10084E+05 171 talc 8.56 8.03 -0.53 -0.031 0.12611E+04 173 talc-tschermaks 3.31 -1.00 -4.31 -0.253 0.10275E+05 178 topaz-H -3.90 -7.81 -3.91 -0.356 0.93258E+04 179 tridymite -2.00 -2.19 -0.19 -0.064 0.45464E+03 180 tremolite 27.17 26.75 -0.42 -0.011 0.10003E+04 182 troilite-low -5.89 -7.47 -1.58 -0.526 0.37630E+04 183 tschermakite 13.49 8.70 -4.79 -0.129 0.11423E+05 188 wairakite -5.56 -6.22 -0.66 -0.039 0.15829E+04 189 walstromite 7.66 5.96 -1.70 -0.340 0.40588E+04 190 wollastonite 6.92 5.96 -0.97 -0.193 0.23038E+04 191 pseudo-wollastonite 7.24 5.96 -1.28 -0.256 0.30553E+04 192 zoisite 3.17 1.30 -1.87 -0.085 0.44606E+04 193 beidellite-Ca -10.25 -13.23 -2.98 -0.184 0.71019E+04 194 beidellite-H -10.57 -14.57 -4.00 -0.255 0.95364E+04 195 beidellite-K -9.63 -13.18 -3.55 -0.217 0.84662E+04 196 beidellite-Mg -10.49 -13.65 -3.16 -0.195 0.75342E+04 197 beidellite-Na -9.58 -12.89 -3.31 -0.203 0.78942E+04 198 bornite -68.28 -68.71 -0.43 -0.032 0.10278E+04 200 chalcedony -2.05 -2.19 -0.13 -0.045 0.32088E+03 201 chalcocite -20.31 -21.89 -1.58 -0.396 0.37742E+04 202 covellite -15.33 -17.45 -2.12 -0.807 0.50530E+04 204 montmorillonite-Ca -8.46 -10.25 -1.79 -0.111 0.42726E+04 205 montmorillonite-K -7.97 -10.21 -2.24 -0.137 0.53361E+04 206 montmorillonite-Mg -8.72 -10.67 -1.95 -0.121 0.46537E+04 207 montmorillonite-Na -7.83 -9.92 -2.09 -0.128 0.49784E+04 209 nontronite-Ca -1.47 -4.97 -3.50 -0.227 0.83360E+04 210 nontronite-H -1.80 -6.31 -4.51 -0.302 0.10759E+05 211 nontronite-K -0.86 -4.92 -4.07 -0.261 0.96978E+04 212 nontronite-Mg -1.71 -5.39 -3.68 -0.239 0.87755E+04 213 nontronite-Na -0.80 -4.63 -3.83 -0.246 0.91307E+04 226 portlandite 13.14 8.15 -4.99 -0.999 0.11909E+05 229 tobermorite 8.14 4.60 -3.54 -0.967 0.84511E+04 235 alabandite -3.12 -6.99 -3.87 -1.290 0.92275E+04 240 boehmite -0.71 -2.81 -2.10 -0.351 0.50159E+04 242 chalcopyrite -24.37 -24.92 -0.55 -0.102 0.13102E+04 245 copper,native -0.98 -4.44 -3.46 -1.205 0.82604E+04 246 dolomite,disordered -3.61 -5.47 -1.86 -0.310 0.44425E+04 247 ferrous-oxide 5.48 2.72 -2.76 -0.689 0.65746E+04 248 fluorite -11.52 -12.88 -1.36 -0.453 0.32418E+04 249 galena -10.11 -10.54 -0.43 -0.144 0.10292E+04 257 silica-amorphous -1.68 -2.19 -0.51 -0.170 0.12190E+04 260 sphalerite -10.11 -11.35 -1.23 -0.411 0.29432E+04 261 wurtzite -8.80 -11.35 -2.54 -0.847 0.60627E+04 263 an20ab80 -3.24 -3.79 -0.55 -0.042 0.13099E+04 264 an25ab75 -3.09 -3.67 -0.58 -0.044 0.13782E+04 265 an30ab70 -2.94 -3.55 -0.61 -0.047 0.14631E+04 266 tr.625ac.25prg.125 23.01 22.60 -0.41 -0.011 0.98929E+03 271 FeS-amorphous -4.11 -7.47 -3.37 -1.122 0.80291E+04 Calculations done for 248.0000 Deg. C; 39.1438 bar Enthalpies: Pure water 4.6292 kcal/mole H2O,gas 12.0325 kcal/mole CO2,gas 3.3839 kcal/mole CH4,gas 3.2963 kcal/mole Current solution 233.8869 Gas 62.6436 kcal Total current enthalpy 296.5306 kcal Starting enthalpy 296.5306 kcal Temperature changed by -2.000 degrees to 246.000 degrees C. Solids and gases carried ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ Test file for CHIM-XPT. Boil Broadlands Water Water similar to Broadlands Well No. 2 CHIMRUN demo-2a ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ Number of loops used = 14 Loop limit = 200 Temperature = 246.00 C Pressure = 37.78 bar Mixer fraction = 0.0000000 Total current enthalpy = 296.5306 KCAL Water: Moles liquid = 0.5025E+02 kg liquid = 0.9052E+00 Moles total = 0.5551E+02 kg total = 0.1000E+01 Activity = 0.9998 Stoichiometric ionic strength = .4284435E-01 Osmotic coef. = 0.8987 True ionic strength = .3537185E-01 Chg. balance for total moles = 0.2402E-07 Max. difference allowed = 0.3072E-05 Log Log Log Species(n) Molality Molality Activity Activity Gamma Gamma 1 H+ 0.23812E-06 -6.6232 0.17064E-06 -6.7679 0.71660E+00 -0.1447 2 H2O 0.99978E+00 -0.0001 0.99978E+00 -0.0001 3 Cl- 0.32489E-01 -1.4883 0.22947E-01 -1.6393 0.70630E+00 -0.1510 4 SO4-- 0.49016E-07 -7.3097 0.13402E-07 -7.8728 0.27342E+00 -0.5632 5 HCO3- 0.19928E-02 -2.7005 0.14165E-02 -2.8488 0.71079E+00 -0.1483 6 HS- 0.51134E-03 -3.2913 0.36140E-03 -3.4420 0.70678E+00 -0.1507 7 H4SiO4 0.63837E-02 -2.1949 0.63837E-02 -2.1949 0.10000E+01 0.0000 8 Al+++ 0.16249E-21 -21.7892 0.85958E-23 -23.0657 0.52899E-01 -1.2765 9 Ca++ 0.17015E-04 -4.7692 0.45443E-05 -5.3425 0.26707E+00 -0.5734 10 Mg++ 0.46905E-07 -7.3288 0.12304E-07 -7.9099 0.26232E+00 -0.5812 11 Fe++ 0.62131E-10 -10.2067 0.16371E-10 -10.7859 0.26349E+00 -0.5792 12 K+ 0.40725E-02 -2.3901 0.28997E-02 -2.5376 0.71203E+00 -0.1475 13 Na+ 0.31226E-01 -1.5055 0.22064E-01 -1.6563 0.70658E+00 -0.1508 14 Mn++ 0.20628E-09 -9.6855 0.54532E-10 -10.2633 0.26436E+00 -0.5778 15 Zn++ 0.92037E-14 -14.0360 0.24251E-14 -14.6153 0.26349E+00 -0.5792 16 Cu+ 0.33614E-12 -12.4735 0.23745E-12 -12.6244 0.70642E+00 -0.1509 17 Pb++ 0.54779E-13 -13.2614 0.14791E-13 -13.8300 0.27001E+00 -0.5686 18 Hg++ 0.17248E-33 -33.7633 0.46331E-34 -34.3341 0.26861E+00 -0.5709 19 F- 0.25229E-03 -3.5981 0.17609E-03 -3.7543 0.69796E+00 -0.1562 21 HSiO3- 0.48227E-04 -4.3167 0.34063E-04 -4.4677 0.70630E+00 -0.1510 22 Ca(HSiO3)+ 0.13206E-06 -6.8792 0.94104E-07 -7.0264 0.71261E+00 -0.1471 23 Mg(HSiO3)+ 0.25216E-09 -9.5983 0.17969E-09 -9.7455 0.71261E+00 -0.1471 24 NaHSiO3,aq 0.98828E-05 -5.0051 0.98828E-05 -5.0051 0.10000E+01 0.0000 27 HAlO2,aq 0.75254E-08 -8.1235 0.75254E-08 -8.1235 0.10000E+01 0.0000 28 AlO2- 0.24177E-05 -5.6166 0.16906E-05 -5.7720 0.69927E+00 -0.1554 29 CH4,aq 0.49489E-04 -4.3055 0.48861E-04 -4.3110 0.98731E+00 -0.0055 34 CO,aq 0.35519E-07 -7.4495 0.35519E-07 -7.4495 0.10000E+01 0.0000 35 CO2,aq 0.11071E-01 -1.9558 0.10931E-01 -1.9613 0.98731E+00 -0.0055 36 CO3-2 0.44974E-06 -6.3470 0.12204E-06 -6.9135 0.27135E+00 -0.5665 37 CaCO3,aq 0.88553E-06 -6.0528 0.88553E-06 -6.0528 0.10000E+01 0.0000 38 Ca(HCO3)+ 0.84448E-05 -5.0734 0.60178E-05 -5.2206 0.71261E+00 -0.1471 39 CaCl+ 0.95418E-05 -5.0204 0.67995E-05 -5.1675 0.71261E+00 -0.1471 40 CaCl2,aq 0.12416E-06 -6.9060 0.12416E-06 -6.9060 0.10000E+01 0.0000 41 CaF+ 0.75875E-06 -6.1199 0.54069E-06 -6.2671 0.71261E+00 -0.1471 42 CaOH+ 0.24394E-05 -5.6127 0.17383E-05 -5.7599 0.71261E+00 -0.1471 43 CaSO4,aq 0.72908E-09 -9.1372 0.72908E-09 -9.1372 0.10000E+01 0.0000 44 HCl,aq 0.85798E-08 -8.0665 0.85798E-08 -8.0665 0.10000E+01 0.0000 53 CuCl,aq 0.49935E-10 -10.3016 0.49935E-10 -10.3016 0.10000E+01 0.0000 54 CuCl2- 0.34611E-10 -10.4608 0.24446E-10 -10.6118 0.70630E+00 -0.1510 61 HF,aq 0.73388E-05 -5.1344 0.73388E-05 -5.1344 0.10000E+01 0.0000 62 HF2- 0.55358E-09 -9.2568 0.39099E-09 -9.4078 0.70630E+00 -0.1510 64 FeCl+ 0.22548E-10 -10.6469 0.16068E-10 -10.7940 0.71261E+00 -0.1471 69 FeO,aq 0.59299E-09 -9.2269 0.59299E-09 -9.2269 0.10000E+01 0.0000 70 FeOH+ 0.53366E-09 -9.2727 0.38029E-09 -9.4199 0.71261E+00 -0.1471 71 HFeO2- 0.18586E-09 -9.7308 0.13127E-09 -9.8818 0.70630E+00 -0.1510 74 FeO2- 0.17396E-09 -9.7596 0.12287E-09 -9.9106 0.70630E+00 -0.1510 75 HFeO2,aq 0.59718E-10 -10.2239 0.59718E-10 -10.2239 0.10000E+01 0.0000 76 H2,aq 0.77509E-04 -4.1106 0.76526E-04 -4.1162 0.98731E+00 -0.0055 77 Hg,aq 0.19267E-09 -9.7152 0.19023E-09 -9.7207 0.98731E+00 -0.0055 90 KCl,aq 0.31770E-04 -4.4980 0.31770E-04 -4.4980 0.10000E+01 0.0000 92 KOH,aq 0.42909E-06 -6.3675 0.42909E-06 -6.3675 0.10000E+01 0.0000 93 KSO4- 0.13031E-07 -7.8850 0.92040E-08 -8.0360 0.70630E+00 -0.1510 94 MgCO3,aq 0.27115E-09 -9.5668 0.27115E-09 -9.5668 0.10000E+01 0.0000 95 Mg(HCO3)+ 0.20828E-07 -7.6814 0.14842E-07 -7.8285 0.71261E+00 -0.1471 96 MgCl+ 0.12548E-07 -7.9014 0.89419E-08 -8.0486 0.71261E+00 -0.1471 97 MgF+ 0.56044E-08 -8.2515 0.39937E-08 -8.3986 0.71261E+00 -0.1471 98 MgOH+ 0.20631E-07 -7.6855 0.14701E-07 -7.8326 0.71261E+00 -0.1471 101 MnO,aq 0.58278E-10 -10.2345 0.58278E-10 -10.2345 0.10000E+01 0.0000 102 MnOH+ 0.26122E-09 -9.5830 0.18615E-09 -9.7301 0.71261E+00 -0.1471 107 MnCl+ 0.14147E-08 -8.8493 0.10081E-08 -8.9965 0.71261E+00 -0.1471 109 NaCl,aq 0.14058E-02 -2.8521 0.14058E-02 -2.8521 0.10000E+01 0.0000 110 NaF,aq 0.88940E-05 -5.0509 0.88940E-05 -5.0509 0.10000E+01 0.0000 111 NaOH,aq 0.21095E-05 -5.6758 0.21095E-05 -5.6758 0.10000E+01 0.0000 113 OH- 0.56913E-04 -4.2448 0.39797E-04 -4.4001 0.69927E+00 -0.1554 122 PbO,aq 0.13906E-10 -10.8568 0.13906E-10 -10.8568 0.10000E+01 0.0000 124 Pb(HS)2,aq 0.11781E-07 -7.9288 0.11781E-07 -7.9288 0.10000E+01 0.0000 125 Pb(HS)3- 0.22321E-09 -9.6513 0.15765E-09 -9.8023 0.70630E+00 -0.1510 126 H2S,aq 0.93496E-03 -3.0292 0.92310E-03 -3.0348 0.98731E+00 -0.0055 127 S2-2 0.14425E-09 -9.8409 0.39141E-10 -10.4074 0.27135E+00 -0.5665 134 HSO3- 0.19401E-10 -10.7122 0.13703E-10 -10.8632 0.70630E+00 -0.1510 135 HSO4- 0.50318E-09 -9.2983 0.35963E-09 -9.4441 0.71472E+00 -0.1459 154 ZnOH+ 0.10210E-09 -9.9910 0.72757E-10 -10.1381 0.71261E+00 -0.1471 159 AlF3,aq 0.12408E-09 -9.9063 0.12408E-09 -9.9063 0.10000E+01 0.0000 160 AlF4- 0.13321E-09 -9.8755 0.94087E-10 -10.0265 0.70630E+00 -0.1510 164 Cu(HS)2- 0.68752E-07 -7.1627 0.48560E-07 -7.3137 0.70630E+00 -0.1510 166 CuH4S3-b 0.62035E-10 -10.2074 0.43815E-10 -10.3584 0.70630E+00 -0.1510 180 MnCl2,aq 0.84908E-09 -9.0711 0.84908E-09 -9.0711 0.10000E+01 0.0000 181 MnCl3- 0.14085E-09 -9.8512 0.99484E-10 -10.0022 0.70630E+00 -0.1510 182 MnCO3,aq 0.75404E-10 -10.1226 0.75404E-10 -10.1226 0.10000E+01 0.0000 183 NaCO3- 0.24046E-06 -6.6190 0.16984E-06 -6.7700 0.70630E+00 -0.1510 184 NaHCO3,aq 0.65599E-04 -4.1831 0.65599E-04 -4.1831 0.10000E+01 0.0000 185 NaHS,aq 0.16737E-04 -4.7763 0.16737E-04 -4.7763 0.10000E+01 0.0000 186 NaSO4- 0.19944E-07 -7.7002 0.14086E-07 -7.8512 0.70630E+00 -0.1510 187 PbCO3,aq 0.17617E-09 -9.7541 0.17617E-09 -9.7541 0.10000E+01 0.0000 188 PbOH+ 0.55791E-10 -10.2534 0.39757E-10 -10.4006 0.71261E+00 -0.1471 189 PbH4S3,aq 0.10431E-10 -10.9817 0.10431E-10 -10.9817 0.10000E+01 0.0000 193 Zn(HS)2,aq 0.16507E-07 -7.7823 0.16507E-07 -7.7823 0.10000E+01 0.0000 194 Zn(HS)3- 0.27712E-09 -9.5573 0.19573E-09 -9.7083 0.70630E+00 -0.1510 Charge balance for all species = 0.2654E-07 Component Molality Aq.molality ppm log[A(N)/A(H+)**Z] (total) 1 H+ 0.2381248E-06 0.1186318E-01 0.1191681E+02 0.0000 2 H2O 0.1000000E+01 0.5549731E+02 0.9964093E+06 0.0000 3 Cl- 0.3248895E-01 0.3393633E-01 0.1199064E+04 5.1286 4 SO4-- 0.4901611E-07 -.6879204E-04 -.6585857E+01 5.6630 5 HCO3- 0.1992803E-02 0.1318938E-01 0.8020488E+03 3.9191 6 HS- 0.5113353E-03 0.1532107E-02 0.5049798E+02 3.3259 7 H4SiO4 0.6383654E-02 0.6441896E-02 0.6170651E+03 -2.1949 8 Al+++ 0.1624926E-21 0.2425462E-05 0.6522061E-01 -2.7620 9 Ca++ 0.1701535E-04 0.3934251E-04 0.1571421E+01 8.1933 10 Mg++ 0.4690468E-07 0.1070445E-06 0.2593639E-02 5.6259 11 Fe++ 0.6213050E-10 0.1635501E-08 0.9102799E-04 2.7499 12 K+ 0.4072493E-02 0.4104705E-02 0.1599577E+03 4.2303 13 Na+ 0.3122607E-01 0.3273535E-01 0.7500262E+03 5.1116 14 Mn++ 0.2062811E-09 0.3011880E-08 0.1649054E-03 3.2725 15 Zn++ 0.9203697E-14 0.1690179E-07 0.1101122E-02 -1.0794 16 Cu+ 0.3361353E-12 0.6890419E-07 0.4363321E-02 -5.8565 17 Pb++ 0.5477912E-13 0.1226209E-07 0.2531963E-02 -0.2942 18 Hg++ 0.1724830E-33 0.1936202E-09 0.3870653E-04 -20.7983 19 F- 0.2522895E-03 0.2692888E-03 0.5098594E+01 3.0136 Component Tot moles Aq. moles Solid moles Gas moles 1 H+ 0.1822172E+00 0.1073890E-01 -.4646440E-06 0.1714788E+00 2 H2O 0.5550825E+02 0.5023780E+02 -.4047555E-02 0.5274502E+01 3 Cl- 0.3072017E-01 0.3072017E-01 0.0000000E+00 0.1277775E-08 4 SO4-- -.4257700E-02 -.6227258E-04 0.0000000E+00 -.4195427E-02 5 HCO3- 0.1832100E+00 0.1193941E-01 0.0000000E+00 0.1712706E+00 6 HS- 0.9985820E-02 0.1386909E-02 0.0000000E+00 0.8598911E-02 7 H4SiO4 0.7855346E-02 0.5831394E-02 0.2023952E-02 0.0000000E+00 8 Al+++ 0.2253680E-05 0.2195600E-05 0.5808051E-07 0.0000000E+00 9 Ca++ 0.3561400E-04 0.3561400E-04 0.0000000E+00 0.0000000E+00 10 Mg++ 0.2355503E-06 0.9689987E-07 0.1386504E-06 0.0000000E+00 11 Fe++ 0.8017372E-08 0.1480504E-08 0.6536868E-08 0.0000000E+00 12 K+ 0.3715700E-02 0.3715700E-02 0.0000000E+00 0.0000000E+00 13 Na+ 0.2963300E-01 0.2963300E-01 0.0000000E+00 0.0000000E+00 14 Mn++ 0.2740424E-08 0.2726442E-08 0.1398139E-10 0.0000000E+00 15 Zn++ 0.1530000E-07 0.1530000E-07 0.0000000E+00 0.0000000E+00 16 Cu+ 0.6237410E-07 0.6237410E-07 0.0000000E+00 0.0000000E+00 17 Pb++ 0.1110000E-07 0.1110000E-07 0.0000000E+00 0.0000000E+00 18 Hg++ 0.4000000E-08 0.1752707E-09 0.0000000E+00 0.3824729E-08 19 F- 0.2439100E-03 0.2437681E-03 0.0000000E+00 0.1419016E-06 Chg. balance for solid moles: 0.1972E-16 Mass of aqueous solution: 0.908311E+03 g Temperature = 246.00 C Pressure = 37.78 bar Mixer frac. = 0.0000000 Log Log Vol Gas or mineral Moles Moles Grams Grams Wt.% (cm3) H2O,gas 5.435 0.735 97.88 1.991 92.78 5151. CO2,gas 0.1683 -0.774 7.406 0.870 7.020 203.2 CH4,gas 0.2994E-02 -2.524 0.4803E-01 -1.319 0.4553E-01 3.982 H2,gas 0.4803E-02 -2.319 0.9702E-02 -2.013 0.9196E-02 5.566 H2S,gas 0.4403E-02 -2.356 0.1501 -0.824 0.1423 4.763 CO,gas 0.1814E-05 -5.741 0.5082E-04 -4.294 0.4817E-04 0.2073E-02 SO2,gas 0.2501E-12 -12.602 0.1602E-10 -10.795 0.1519E-10 0.2858E-09 HF,gas 0.1419E-06 -6.848 0.2838E-05 -5.547 0.2690E-05 0.1621E-03 HCl,gas 0.1278E-08 -8.894 0.4659E-07 -7.332 0.4416E-07 0.1460E-05 Hg,gas 0.3825E-08 -8.417 0.7672E-06 -6.115 0.7272E-06 0.4370E-05 clinochlore 0.2773E-07 -7.557 0.1541E-04 -4.812 0.1267E-01 0.5863E-05 daphnite 0.1307E-08 -8.884 0.9328E-06 -6.030 0.7671E-03 0.2827E-06 chlorite-Mn 0.2796E-11 -11.553 0.1982E-08 -8.703 0.1630E-05 0.6318E-09 quartz 0.2024E-02 -2.694 0.1216 -0.915 99.99 0.4592E-01 Partial press. Fugacity coef Log fugacity Gas or Mineral Mole fraction or activity Activity coef Log activity H2O,gas 0.9679E+00 0.3656E+02 0.8594 1.497 CO2,gas 0.2997E-01 0.1132E+01 0.9969 0.053 CH4,gas 0.5332E-03 0.2014E-01 1.1394 -1.639 H2,gas 0.8553E-03 0.3231E-01 1.0145 -1.484 H2S,gas 0.7842E-03 0.2962E-01 0.9465 -1.552 CO,gas 0.3231E-06 0.1221E-04 1.0000 -4.913 SO2,gas 0.4454E-13 0.1683E-11 1.0000 -11.774 HF,gas 0.2527E-07 0.9546E-06 1.0000 -6.020 HCl,gas 0.2275E-09 0.8596E-08 1.0000 -8.066 Hg,gas 0.6811E-09 0.2573E-07 1.0000 -7.590 clinochlore 0.9549E+00 0.9549E+00 1.0000 -0.020 daphnite 0.4502E-01 0.4502E-01 1.0000 -1.347 chlorite-Mn 0.9629E-04 0.9629E-04 1.0000 -4.016 quartz 0.1000E+01 0.1000E+01 1.0000 0.000 Current weight percent of gas: 10.404825 % Solid products produced: Mass = 0.121610 g Volume = 0.045925 cm3 WARNING: mineral volume may be in error because some mineral densities were not supplied in SOLTHERM. See mineral list in file Skip_Species.txt. NON-Ideal mixing with H2O, CO2, CH4 Gases ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ The following gases and minerals are presently in matrix or were just added Gas or Mineral Log K Log Q Log(Q/K) Log(Q/K)/S Affinity Log Fugacity 1 H2O,gas 0.08 0.08 -0.00 -0.000 0.12297E-08 2 CO2,gas -8.09 -8.09 0.00 0.000 -0.41354E-09 3 CH4,gas 4.80 4.80 0.00 0.000 -0.11921E-08 4 H2,gas 5.86 5.86 0.00 0.000 -0.10339E-09 5 H2S,gas -7.08 -7.08 -0.00 -0.000 0.38400E-09 6 CO,gas -0.33 -0.33 -0.00 -0.000 0.52748E-12 7 SO2,gas -5.26 -5.26 0.00 0.000 -0.42198E-11 8 HF,gas -2.92 -2.92 -0.00 -0.000 0.21099E-11 9 HCl,gas 1.24 1.24 -0.00 -0.000 0.15824E-11 10 Hg,gas -8.83 -8.83 0.00 0.000 0.00000E+00 43 clinochlore 16.12 16.12 0.00 0.000 0.00000E+00 44 daphnite 8.37 8.37 0.00 0.000 -0.84396E-11 45 chlorite-Mn 24.34 24.34 -0.00 -0.000 0.16879E-10 146 quartz -2.19 -2.19 0.00 0.000 0.00000E+00 The following gases and minerals are presently EXCLUDED from matrix (Gases and minerals with log(Q/K) less than -5 are not listed below) Gas or Mineral Log K Log Q Log(Q/K) Log(Q/K)/S Affinity Log Fugacity 11 acmite 4.98 2.07 -2.91 -0.303 0.69179E+04 15 albite-high -3.17 -4.23 -1.06 -0.082 0.25208E+04 16 albite -3.70 -4.23 -0.54 -0.041 0.12719E+04 20 analcite -0.77 -2.04 -1.27 -0.141 0.30230E+04 21 andalusite -4.65 -7.72 -3.07 -0.307 0.72930E+04 22 andradite 23.70 20.70 -3.01 -0.156 0.71490E+04 23 grossular 14.34 12.47 -1.87 -0.093 0.44349E+04 24 anhydrite -8.35 -13.22 -4.87 -2.433 0.11561E+05 25 ankerite -5.92 -8.29 -2.38 -0.396 0.56423E+04 26 annite 7.76 3.13 -4.63 -0.257 0.11001E+05 27 phlogopite 13.08 11.76 -1.32 -0.073 0.31256E+04 29 anorthite -0.04 -1.72 -1.68 -0.129 0.39810E+04 32 aragonite -1.08 -1.42 -0.34 -0.113 0.80512E+03 33 brucite 8.35 5.63 -2.73 -0.545 0.64780E+04 34 calcite -1.24 -1.42 -0.19 -0.062 0.44365E+03 35 carnegieite-low 3.23 0.15 -3.07 -0.439 0.73046E+04 36 carnegieite-high 3.77 0.15 -3.62 -0.517 0.85917E+04 37 carpholite-Mg -1.89 -4.29 -2.39 -0.160 0.56881E+04 38 carpholite-Fe -3.34 -7.16 -3.83 -0.255 0.90898E+04 39 celadonite 0.44 -1.69 -2.12 -0.125 0.50378E+04 40 celadonite-Fe -0.85 -4.56 -3.71 -0.218 0.88160E+04 41 chrysotile 14.62 12.49 -2.13 -0.178 0.50651E+04 46 chlorite-Al-free 28.95 24.98 -3.97 -0.166 0.94378E+04 47 chloritoid-Mg 0.79 -2.09 -2.88 -0.192 0.68528E+04 48 chloritoid-Fe -2.04 -4.97 -2.93 -0.195 0.69570E+04 49 chloritoid-Mn 0.17 -4.45 -4.62 -0.308 0.10963E+05 51 coesite -1.73 -2.19 -0.46 -0.154 0.11000E+04 56 corundum -2.17 -5.52 -3.36 -0.305 0.79771E+04 58 cristobalite -1.98 -2.19 -0.22 -0.072 0.51555E+03 61 cymrite-K -1.67 -5.12 -3.45 -0.287 0.81937E+04 63 diaspore -1.52 -2.76 -1.24 -0.207 0.29547E+04 64 diamond -1.87 -4.02 -2.15 -0.613 0.50970E+04 65 diopside 9.79 9.43 -0.36 -0.036 0.84628E+03 66 hedenbergite 8.24 6.55 -1.69 -0.169 0.40100E+04 67 dolomite,ordered -3.87 -5.41 -1.55 -0.258 0.36712E+04 68 eastonite 7.19 2.81 -4.38 -0.169 0.10408E+05 69 enstatite 9.67 6.86 -2.80 -0.280 0.66589E+04 70 clinoenstatite-HiP 10.46 6.86 -3.60 -0.360 0.85465E+04 71 clinoenstatite 9.60 6.86 -2.74 -0.274 0.65026E+04 72 protoenstatite 10.00 6.86 -3.14 -0.314 0.74554E+04 73 epidote 7.30 5.63 -1.67 -0.081 0.39712E+04 74 clinozoisite 3.35 1.52 -1.83 -0.083 0.43572E+04 75 epidote-Fe 13.69 9.74 -3.95 -0.205 0.93861E+04 76 fayalite 7.22 3.30 -3.91 -0.559 0.92902E+04 77 ferrosilite 5.13 1.11 -4.02 -0.402 0.95557E+04 78 forsterite 12.36 9.06 -3.31 -0.473 0.78574E+04 81 gibbsite -0.16 -2.76 -2.60 -0.372 0.61795E+04 82 glaucophane 7.51 4.02 -3.49 -0.094 0.82859E+04 84 goethite 3.47 1.35 -2.12 -0.458 0.50302E+04 85 graphite -2.25 -4.02 -1.77 -0.504 0.41943E+04 86 greenalite 8.77 3.86 -4.91 -0.409 0.11658E+05 88 halite 0.96 -3.30 -4.25 -2.127 0.10107E+05 89 hematite 6.06 2.70 -3.36 -0.407 0.79750E+04 90 heulandite -11.95 -12.69 -0.74 -0.034 0.17692E+04 94 jadeite 0.12 -2.04 -2.16 -0.216 0.51327E+04 96 kalsilite 2.38 -0.73 -3.10 -0.443 0.73748E+04 97 kaolinite -7.67 -9.91 -2.24 -0.204 0.53239E+04 98 kyanite -4.60 -7.72 -3.12 -0.312 0.74089E+04 100 laumontite -5.08 -6.11 -1.03 -0.069 0.24409E+04 101 lawsonite -0.19 -1.72 -1.53 -0.102 0.36398E+04 102 leucite -0.44 -2.92 -2.49 -0.249 0.59048E+04 104 lizardite 14.35 12.49 -1.86 -0.155 0.44212E+04 105 magnesite -1.98 -3.99 -2.01 -0.671 0.47849E+04 106 magnetite 9.99 5.45 -4.54 -0.370 0.10774E+05 107 minnesotaite 3.90 -0.53 -4.43 -0.261 0.10524E+05 108 minnesotaite-Mg 11.52 8.10 -3.42 -0.201 0.81293E+04 112 margarite -3.86 -7.24 -3.38 -0.135 0.80358E+04 115 microcline -4.87 -5.12 -0.24 -0.019 0.58022E+03 116 monticellite 15.59 11.62 -3.96 -0.566 0.94122E+04 118 mullite-Si -3.15 -7.72 -4.57 -0.457 0.10851E+05 119 muscovite -8.61 -10.64 -2.03 -0.120 0.48281E+04 120 paragonite -7.63 -9.76 -2.13 -0.125 0.50653E+04 121 nepheline 2.71 0.15 -2.55 -0.365 0.60633E+04 126 periclase 10.26 5.63 -4.63 -1.157 0.10998E+05 127 periclase-Fe 6.88 2.75 -4.13 -1.033 0.98203E+04 133 phlogopite-Na 14.61 12.64 -1.97 -0.109 0.46733E+04 135 prehnite 5.29 4.28 -1.01 -0.059 0.23988E+04 136 prehnite-Fe 10.01 8.39 -1.62 -0.097 0.38505E+04 137 pumpellyite-Fe 12.43 8.54 -3.89 -0.086 0.92383E+04 138 pumpellyite-Mg 14.45 11.42 -3.03 -0.067 0.71971E+04 140 px-Ca-tschermaks 4.61 0.47 -4.13 -0.295 0.98134E+04 141 pyrite -19.56 -20.47 -0.91 -0.215 0.21667E+04 142 pyrrhotite -5.84 -7.46 -1.62 -0.540 0.38491E+04 143 pyrrhotiteFe0.875 -7.00 -8.15 -1.15 -0.423 0.27336E+04 144 pyroxmangite 4.45 1.08 -3.37 -0.674 0.80035E+04 145 pyrophyllite -11.92 -14.30 -2.38 -0.149 0.56628E+04 151 rhodochrosite -2.65 -6.34 -3.69 -1.230 0.87652E+04 152 rhodonite 4.46 1.08 -3.38 -0.677 0.80405E+04 153 sanidine -4.00 -5.12 -1.11 -0.086 0.26464E+04 155 siderite -4.40 -6.87 -2.47 -0.822 0.58613E+04 156 sillimanite -4.50 -7.72 -3.22 -0.322 0.76449E+04 163 stilbite -10.90 -12.69 -1.79 -0.085 0.42565E+04 165 stilpnomelane-Mg 8.09 7.16 -0.93 -0.028 0.22102E+04 166 stishovite 2.16 -2.19 -4.35 -1.452 0.10345E+05 168 sudoite -1.40 -6.38 -4.98 -0.161 0.11834E+05 169 sulfur -8.77 -13.01 -4.24 -1.305 0.10077E+05 171 talc 8.64 8.10 -0.54 -0.032 0.12814E+04 173 talc-tschermaks 3.48 -0.86 -4.34 -0.255 0.10300E+05 178 topaz-H -3.80 -7.72 -3.92 -0.356 0.93037E+04 179 tridymite -2.00 -2.19 -0.19 -0.064 0.45686E+03 180 tremolite 27.39 26.96 -0.43 -0.012 0.10216E+04 182 troilite-low -5.87 -7.46 -1.59 -0.531 0.37839E+04 183 tschermakite 13.86 9.05 -4.82 -0.130 0.11444E+05 188 wairakite -5.45 -6.11 -0.66 -0.039 0.15584E+04 189 walstromite 7.70 6.00 -1.70 -0.340 0.40423E+04 190 wollastonite 6.96 6.00 -0.96 -0.193 0.22870E+04 191 pseudo-wollastonite 7.28 6.00 -1.28 -0.256 0.30408E+04 192 zoisite 3.38 1.52 -1.87 -0.085 0.44371E+04 193 beidellite-Ca -10.15 -13.14 -2.98 -0.185 0.70891E+04 194 beidellite-H -10.48 -14.49 -4.01 -0.256 0.95231E+04 195 beidellite-K -9.54 -13.09 -3.55 -0.218 0.84400E+04 196 beidellite-Mg -10.39 -13.56 -3.17 -0.196 0.75273E+04 197 beidellite-Na -9.49 -12.80 -3.31 -0.203 0.78720E+04 198 bornite -68.43 -68.77 -0.34 -0.026 0.81639E+03 200 chalcedony -2.06 -2.19 -0.14 -0.045 0.32098E+03 201 chalcocite -20.37 -21.92 -1.55 -0.387 0.36800E+04 202 covellite -15.36 -17.47 -2.10 -0.801 0.49943E+04 204 montmorillonite-Ca -8.39 -10.18 -1.79 -0.111 0.42611E+04 205 montmorillonite-K -7.90 -10.14 -2.24 -0.137 0.53145E+04 206 montmorillonite-Mg -8.65 -10.61 -1.96 -0.121 0.46472E+04 207 montmorillonite-Na -7.76 -9.85 -2.09 -0.128 0.49572E+04 209 nontronite-Ca -1.42 -4.91 -3.49 -0.227 0.83025E+04 210 nontronite-H -1.75 -6.27 -4.51 -0.303 0.10725E+05 211 nontronite-K -0.81 -4.87 -4.06 -0.261 0.96509E+04 212 nontronite-Mg -1.66 -5.34 -3.68 -0.239 0.87478E+04 213 nontronite-Na -0.75 -4.58 -3.83 -0.246 0.90878E+04 226 portlandite 13.19 8.19 -5.00 -1.000 0.11872E+05 229 tobermorite 8.16 4.63 -3.53 -0.963 0.83830E+04 235 alabandite -3.09 -6.94 -3.85 -1.284 0.91512E+04 240 boehmite -0.65 -2.76 -2.11 -0.352 0.50132E+04 242 chalcopyrite -24.39 -24.93 -0.54 -0.100 0.12760E+04 245 copper,native -1.00 -4.46 -3.46 -1.202 0.82079E+04 246 dolomite,disordered -3.54 -5.41 -1.87 -0.312 0.44541E+04 247 ferrous-oxide 5.53 2.75 -2.78 -0.694 0.65945E+04 248 fluorite -11.48 -12.85 -1.37 -0.456 0.32516E+04 249 galena -10.12 -10.50 -0.39 -0.129 0.92010E+03 257 silica-amorphous -1.68 -2.19 -0.52 -0.172 0.12242E+04 260 sphalerite -10.10 -11.29 -1.19 -0.396 0.28213E+04 261 wurtzite -8.79 -11.29 -2.50 -0.834 0.59411E+04 263 an20ab80 -3.19 -3.73 -0.55 -0.042 0.12980E+04 264 an25ab75 -3.03 -3.61 -0.58 -0.044 0.13683E+04 265 an30ab70 -2.87 -3.48 -0.61 -0.047 0.14548E+04 266 tr.625ac.25prg.125 23.25 22.81 -0.43 -0.012 0.10328E+04 271 FeS-amorphous -4.09 -7.46 -3.37 -1.124 0.80073E+04 Calculations done for 246.0000 Deg. C; 37.7779 bar Enthalpies: Pure water 4.5878 kcal/mole H2O,gas 12.0388 kcal/mole CO2,gas 3.3348 kcal/mole CH4,gas 3.2453 kcal/mole Current solution 230.5289 Gas 66.0017 kcal Total current enthalpy 296.5306 kcal Starting enthalpy 296.5306 kcal Temperature changed by -2.000 degrees to 244.000 degrees C. Solids and gases carried ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ Test file for CHIM-XPT. Boil Broadlands Water Water similar to Broadlands Well No. 2 CHIMRUN demo-2a ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ Number of loops used = 14 Loop limit = 200 Temperature = 244.00 C Pressure = 36.45 bar Mixer fraction = 0.0000000 Total current enthalpy = 296.5306 KCAL Water: Moles liquid = 0.4998E+02 kg liquid = 0.9003E+00 Moles total = 0.5551E+02 kg total = 0.1000E+01 Activity = 0.9998 Stoichiometric ionic strength = .4255422E-01 Osmotic coef. = 0.8998 True ionic strength = .3560587E-01 Chg. balance for total moles = 0.2402E-07 Max. difference allowed = 0.3072E-05 Log Log Log Species(n) Molality Molality Activity Activity Gamma Gamma 1 H+ 0.22980E-06 -6.6387 0.16496E-06 -6.7826 0.71785E+00 -0.1440 2 H2O 0.99980E+00 -0.0001 0.99980E+00 -0.0001 3 Cl- 0.32706E-01 -1.4854 0.23143E-01 -1.6356 0.70761E+00 -0.1502 4 SO4-- 0.54844E-07 -7.2609 0.15099E-07 -7.8211 0.27530E+00 -0.5602 5 HCO3- 0.20023E-02 -2.6985 0.14258E-02 -2.8459 0.71207E+00 -0.1475 6 HS- 0.51267E-03 -3.2902 0.36301E-03 -3.4401 0.70808E+00 -0.1499 7 H4SiO4 0.62677E-02 -2.2029 0.62677E-02 -2.2029 0.10000E+01 0.0000 8 Al+++ 0.16201E-21 -21.7905 0.87048E-23 -23.0602 0.53729E-01 -1.2698 9 Ca++ 0.17560E-04 -4.7555 0.47225E-05 -5.3258 0.26894E+00 -0.5704 10 Mg++ 0.47059E-07 -7.3274 0.12432E-07 -7.9054 0.26419E+00 -0.5781 11 Fe++ 0.61238E-10 -10.2130 0.16250E-10 -10.7891 0.26536E+00 -0.5762 12 K+ 0.40959E-02 -2.3877 0.29216E-02 -2.5344 0.71330E+00 -0.1467 13 Na+ 0.31435E-01 -1.5026 0.22252E-01 -1.6526 0.70788E+00 -0.1500 14 Mn++ 0.22061E-09 -9.6564 0.58732E-10 -10.2311 0.26622E+00 -0.5748 15 Zn++ 0.99979E-14 -14.0001 0.26530E-14 -14.5763 0.26536E+00 -0.5762 16 Cu+ 0.31756E-12 -12.4982 0.22475E-12 -12.6483 0.70772E+00 -0.1501 17 Pb++ 0.56883E-13 -13.2450 0.15465E-13 -13.8106 0.27188E+00 -0.5656 18 Hg++ 0.14099E-33 -33.8508 0.38136E-34 -34.4187 0.27048E+00 -0.5679 19 F- 0.25453E-03 -3.5943 0.17799E-03 -3.7496 0.69931E+00 -0.1553 21 HSiO3- 0.50049E-04 -4.3006 0.35415E-04 -4.4508 0.70761E+00 -0.1502 22 Ca(HSiO3)+ 0.13423E-06 -6.8722 0.95823E-07 -7.0185 0.71388E+00 -0.1464 23 Mg(HSiO3)+ 0.25104E-09 -9.6003 0.17921E-09 -9.7466 0.71388E+00 -0.1464 24 NaHSiO3,aq 0.10194E-04 -4.9917 0.10194E-04 -4.9917 0.10000E+01 0.0000 27 HAlO2,aq 0.74891E-08 -8.1256 0.74891E-08 -8.1256 0.10000E+01 0.0000 28 AlO2- 0.24299E-05 -5.6144 0.17025E-05 -5.7689 0.70062E+00 -0.1545 29 CH4,aq 0.44017E-04 -4.3564 0.43460E-04 -4.3619 0.98736E+00 -0.0055 34 CO,aq 0.30026E-07 -7.5225 0.30026E-07 -7.5225 0.10000E+01 0.0000 35 CO2,aq 0.10146E-01 -1.9937 0.10018E-01 -1.9992 0.98736E+00 -0.0055 36 CO3-2 0.48565E-06 -6.3137 0.13269E-06 -6.8772 0.27323E+00 -0.5635 37 CaCO3,aq 0.91509E-06 -6.0385 0.91509E-06 -6.0385 0.10000E+01 0.0000 38 Ca(HCO3)+ 0.82711E-05 -5.0824 0.59046E-05 -5.2288 0.71388E+00 -0.1464 39 CaCl+ 0.93686E-05 -5.0283 0.66880E-05 -5.1747 0.71388E+00 -0.1464 40 CaCl2,aq 0.11892E-06 -6.9247 0.11892E-06 -6.9247 0.10000E+01 0.0000 41 CaF+ 0.74453E-06 -6.1281 0.53151E-06 -6.2745 0.71388E+00 -0.1464 42 CaOH+ 0.24435E-05 -5.6120 0.17444E-05 -5.7584 0.71388E+00 -0.1464 43 CaSO4,aq 0.79232E-09 -9.1011 0.79232E-09 -9.1011 0.10000E+01 0.0000 44 HCl,aq 0.79111E-08 -8.1018 0.79111E-08 -8.1018 0.10000E+01 0.0000 53 CuCl,aq 0.46677E-10 -10.3309 0.46677E-10 -10.3309 0.10000E+01 0.0000 54 CuCl2- 0.32427E-10 -10.4891 0.22945E-10 -10.6393 0.70761E+00 -0.1502 61 HF,aq 0.67796E-05 -5.1688 0.67796E-05 -5.1688 0.10000E+01 0.0000 62 HF2- 0.51766E-09 -9.2860 0.36630E-09 -9.4362 0.70761E+00 -0.1502 64 FeCl+ 0.21241E-10 -10.6728 0.15163E-10 -10.8192 0.71388E+00 -0.1464 69 FeO,aq 0.56678E-09 -9.2466 0.56678E-09 -9.2466 0.10000E+01 0.0000 70 FeOH+ 0.51988E-09 -9.2841 0.37113E-09 -9.4305 0.71388E+00 -0.1464 71 HFeO2- 0.18375E-09 -9.7358 0.13002E-09 -9.8860 0.70761E+00 -0.1502 74 FeO2- 0.17107E-09 -9.7668 0.12105E-09 -9.9170 0.70761E+00 -0.1502 75 HFeO2,aq 0.58569E-10 -10.2323 0.58569E-10 -10.2323 0.10000E+01 0.0000 76 H2,aq 0.71672E-04 -4.1447 0.70766E-04 -4.1502 0.98736E+00 -0.0055 77 Hg,aq 0.17356E-09 -9.7606 0.17136E-09 -9.7661 0.98736E+00 -0.0055 90 KCl,aq 0.30733E-04 -4.5124 0.30733E-04 -4.5124 0.10000E+01 0.0000 92 KOH,aq 0.43289E-06 -6.3636 0.43289E-06 -6.3636 0.10000E+01 0.0000 93 KSO4- 0.14036E-07 -7.8528 0.99320E-08 -8.0030 0.70761E+00 -0.1502 94 MgCO3,aq 0.27479E-09 -9.5610 0.27479E-09 -9.5610 0.10000E+01 0.0000 95 Mg(HCO3)+ 0.19890E-07 -7.7014 0.14199E-07 -7.8477 0.71388E+00 -0.1464 96 MgCl+ 0.12068E-07 -7.9184 0.86149E-08 -8.0647 0.71388E+00 -0.1464 97 MgF+ 0.53648E-08 -8.2704 0.38298E-08 -8.4168 0.71388E+00 -0.1464 98 MgOH+ 0.20157E-07 -7.6956 0.14389E-07 -7.8420 0.71388E+00 -0.1464 101 MnO,aq 0.60562E-10 -10.2178 0.60562E-10 -10.2178 0.10000E+01 0.0000 102 MnOH+ 0.27520E-09 -9.5604 0.19646E-09 -9.7067 0.71388E+00 -0.1464 107 MnCl+ 0.14211E-08 -8.8474 0.10145E-08 -8.9938 0.71388E+00 -0.1464 109 NaCl,aq 0.13750E-02 -2.8617 0.13750E-02 -2.8617 0.10000E+01 0.0000 110 NaF,aq 0.87011E-05 -5.0604 0.87011E-05 -5.0604 0.10000E+01 0.0000 111 NaOH,aq 0.21363E-05 -5.6703 0.21363E-05 -5.6703 0.10000E+01 0.0000 113 OH- 0.58621E-04 -4.2320 0.41071E-04 -4.3865 0.70062E+00 -0.1545 122 PbO,aq 0.14564E-10 -10.8367 0.14564E-10 -10.8367 0.10000E+01 0.0000 124 Pb(HS)2,aq 0.11831E-07 -7.9270 0.11831E-07 -7.9270 0.10000E+01 0.0000 125 Pb(HS)3- 0.21958E-09 -9.6584 0.15538E-09 -9.8086 0.70761E+00 -0.1502 126 H2S,aq 0.86800E-03 -3.0615 0.85703E-03 -3.0670 0.98736E+00 -0.0055 127 S2-2 0.14421E-09 -9.8410 0.39402E-10 -10.4045 0.27323E+00 -0.5635 134 HSO3- 0.18694E-10 -10.7283 0.13228E-10 -10.8785 0.70761E+00 -0.1502 135 HSO4- 0.50699E-09 -9.2950 0.36300E-09 -9.4401 0.71599E+00 -0.1451 154 ZnOH+ 0.10760E-09 -9.9682 0.76817E-10 -10.1145 0.71388E+00 -0.1464 159 AlF3,aq 0.92657E-10 -10.0331 0.92657E-10 -10.0331 0.10000E+01 0.0000 160 AlF4- 0.95290E-10 -10.0210 0.67428E-10 -10.1712 0.70761E+00 -0.1502 164 Cu(HS)2- 0.69129E-07 -7.1603 0.48916E-07 -7.3105 0.70761E+00 -0.1502 166 CuH4S3-b 0.66106E-10 -10.1798 0.46777E-10 -10.3300 0.70761E+00 -0.1502 180 MnCl2,aq 0.82094E-09 -9.0857 0.82094E-09 -9.0857 0.10000E+01 0.0000 181 MnCl3- 0.13671E-09 -9.8642 0.96740E-10 -10.0144 0.70761E+00 -0.1502 182 MnCO3,aq 0.85642E-10 -10.0673 0.85642E-10 -10.0673 0.10000E+01 0.0000 183 NaCO3- 0.25974E-06 -6.5855 0.18379E-06 -6.7357 0.70761E+00 -0.1502 184 NaHCO3,aq 0.65188E-04 -4.1858 0.65188E-04 -4.1858 0.10000E+01 0.0000 185 NaHS,aq 0.16597E-04 -4.7800 0.16597E-04 -4.7800 0.10000E+01 0.0000 186 NaSO4- 0.21813E-07 -7.6613 0.15435E-07 -7.8115 0.70761E+00 -0.1502 187 PbCO3,aq 0.19530E-09 -9.7093 0.19530E-09 -9.7093 0.10000E+01 0.0000 188 PbOH+ 0.57631E-10 -10.2393 0.41142E-10 -10.3857 0.71388E+00 -0.1464 193 Zn(HS)2,aq 0.16586E-07 -7.7803 0.16586E-07 -7.7803 0.10000E+01 0.0000 194 Zn(HS)3- 0.28436E-09 -9.5461 0.20121E-09 -9.6963 0.70761E+00 -0.1502 Charge balance for all species = 0.2668E-07 Component Molality Aq.molality ppm log[A(N)/A(H+)**Z] (total) 1 H+ 0.2297979E-06 0.1086808E-01 0.1091767E+02 0.0000 2 H2O 0.1000000E+01 0.5549823E+02 0.9964673E+06 0.0000 3 Cl- 0.3270565E-01 0.3412105E-01 0.1205640E+04 5.1470 4 SO4-- 0.5484415E-07 -.6184996E-04 -.5921499E+01 5.7442 5 HCO3- 0.2002309E-02 0.1226790E-01 0.7460446E+03 3.9367 6 HS- 0.5126667E-03 0.1459401E-02 0.4810360E+02 3.3425 7 H4SiO4 0.6267712E-02 0.6328090E-02 0.6061890E+03 -2.2029 8 Al+++ 0.1620113E-21 0.2437617E-05 0.6555021E-01 -2.7124 9 Ca++ 0.1755990E-04 0.3955665E-04 0.1580040E+01 8.2394 10 Mg++ 0.4705883E-07 0.1050699E-06 0.2545900E-02 5.6598 11 Fe++ 0.6123843E-10 0.1586844E-08 0.8832353E-04 2.7761 12 K+ 0.4095868E-02 0.4127047E-02 0.1608351E+03 4.2482 13 Na+ 0.3143540E-01 0.3291353E-01 0.7541401E+03 5.1300 14 Mn++ 0.2206121E-09 0.3026951E-08 0.1657374E-03 3.3341 15 Zn++ 0.9997878E-14 0.1699379E-07 0.1107162E-02 -1.0110 16 Cu+ 0.3175641E-12 0.6927924E-07 0.4387253E-02 -5.8657 17 Pb++ 0.5688272E-13 0.1232883E-07 0.2545851E-02 -0.2454 18 Hg++ 0.1409914E-33 0.1744282E-09 0.3487132E-04 -20.8534 19 F- 0.2545274E-03 0.2707596E-03 0.5126657E+01 3.0330 Component Tot moles Aq. moles Solid moles Gas moles 1 H+ 0.1822172E+00 0.9784849E-02 -.4721814E-06 0.1724328E+00 2 H2O 0.5550825E+02 0.4996666E+02 -.4315612E-02 0.5545910E+01 3 Cl- 0.3072017E-01 0.3072017E-01 0.0000000E+00 0.1216739E-08 4 SO4-- -.4257700E-02 -.5568530E-04 0.0000000E+00 -.4202015E-02 5 HCO3- 0.1832100E+00 0.1104514E-01 0.0000000E+00 0.1721649E+00 6 HS- 0.9985820E-02 0.1313941E-02 0.0000000E+00 0.8671879E-02 7 H4SiO4 0.7855346E-02 0.5697363E-02 0.2157983E-02 0.0000000E+00 8 Al+++ 0.2253680E-05 0.2194657E-05 0.5902268E-07 0.0000000E+00 9 Ca++ 0.3561400E-04 0.3561400E-04 0.0000000E+00 0.0000000E+00 10 Mg++ 0.2355503E-06 0.9459746E-07 0.1409528E-06 0.0000000E+00 11 Fe++ 0.8017372E-08 0.1428681E-08 0.6588691E-08 0.0000000E+00 12 K+ 0.3715700E-02 0.3715700E-02 0.0000000E+00 0.0000000E+00 13 Na+ 0.2963300E-01 0.2963300E-01 0.0000000E+00 0.0000000E+00 14 Mn++ 0.2740424E-08 0.2725251E-08 0.1517236E-10 0.0000000E+00 15 Zn++ 0.1530000E-07 0.1530000E-07 0.0000000E+00 0.0000000E+00 16 Cu+ 0.6237410E-07 0.6237410E-07 0.0000000E+00 0.0000000E+00 17 Pb++ 0.1110000E-07 0.1110000E-07 0.0000000E+00 0.0000000E+00 18 Hg++ 0.4000000E-08 0.1570427E-09 0.0000000E+00 0.3842957E-08 19 F- 0.2439100E-03 0.2437727E-03 0.0000000E+00 0.1372624E-06 Chg. balance for solid moles: 0.4663E-16 Mass of aqueous solution: 0.903356E+03 g Temperature = 244.00 C Pressure = 36.45 bar Mixer frac. = 0.0000000 Log Log Vol Gas or mineral Moles Moles Grams Grams Wt.% (cm3) H2O,gas 5.707 0.756 102.8 2.012 93.07 5611. CO2,gas 0.1692 -0.772 7.446 0.872 6.742 210.6 CH4,gas 0.2971E-02 -2.527 0.4765E-01 -1.322 0.4315E-01 4.065 H2,gas 0.4922E-02 -2.308 0.9943E-02 -2.002 0.9003E-02 5.887 H2S,gas 0.4470E-02 -2.350 0.1523 -0.817 0.1379 4.997 CO,gas 0.1715E-05 -5.766 0.4803E-04 -4.318 0.4349E-04 0.2023E-02 SO2,gas 0.2356E-12 -12.628 0.1509E-10 -10.821 0.1367E-10 0.2779E-09 HF,gas 0.1373E-06 -6.862 0.2745E-05 -5.561 0.2486E-05 0.1619E-03 HCl,gas 0.1217E-08 -8.915 0.4436E-07 -7.353 0.4017E-07 0.1435E-05 Hg,gas 0.3843E-08 -8.415 0.7709E-06 -6.113 0.6980E-06 0.4533E-05 clinochlore 0.2819E-07 -7.550 0.1567E-04 -4.805 0.1208E-01 0.5960E-05 daphnite 0.1318E-08 -8.880 0.9402E-06 -6.027 0.7251E-03 0.2849E-06 chlorite-Mn 0.3034E-11 -11.518 0.2151E-08 -8.667 0.1659E-05 0.6856E-09 quartz 0.2158E-02 -2.666 0.1296 -0.887 99.99 0.4896E-01 Partial press. Fugacity coef Log fugacity Gas or Mineral Mole fraction or activity Activity coef Log activity H2O,gas 0.9692E+00 0.3533E+02 0.8621 1.484 CO2,gas 0.2873E-01 0.1047E+01 0.9984 0.019 CH4,gas 0.5045E-03 0.1839E-01 1.1367 -1.680 H2,gas 0.8359E-03 0.3047E-01 1.0140 -1.510 H2S,gas 0.7590E-03 0.2767E-01 0.9477 -1.581 CO,gas 0.2912E-06 0.1062E-04 1.0000 -4.974 SO2,gas 0.4001E-13 0.1459E-11 1.0000 -11.836 HF,gas 0.2331E-07 0.8497E-06 1.0000 -6.071 HCl,gas 0.2066E-09 0.7532E-08 1.0000 -8.123 Hg,gas 0.6526E-09 0.2379E-07 1.0000 -7.624 clinochlore 0.9552E+00 0.9552E+00 1.0000 -0.020 daphnite 0.4465E-01 0.4465E-01 1.0000 -1.350 chlorite-Mn 0.1028E-03 0.1028E-03 1.0000 -3.988 quartz 0.1000E+01 0.1000E+01 1.0000 0.000 Current weight percent of gas: 10.892584 % Solid products produced: Mass = 0.129663 g Volume = 0.048966 cm3 WARNING: mineral volume may be in error because some mineral densities were not supplied in SOLTHERM. See mineral list in file Skip_Species.txt. NON-Ideal mixing with H2O, CO2, CH4 Gases ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ The following gases and minerals are presently in matrix or were just added Gas or Mineral Log K Log Q Log(Q/K) Log(Q/K)/S Affinity Log Fugacity 1 H2O,gas 0.08 0.08 -0.00 -0.000 0.91142E-09 2 CO2,gas -8.09 -8.09 0.00 0.000 -0.30266E-09 3 CH4,gas 4.78 4.78 0.00 0.000 -0.88065E-09 4 H2,gas 5.86 5.86 0.00 0.000 -0.75664E-10 5 H2S,gas -7.08 -7.08 -0.00 -0.000 0.29005E-09 6 CO,gas -0.30 -0.30 -0.00 -0.000 0.10509E-11 7 SO2,gas -5.20 -5.20 0.00 0.000 -0.21018E-11 8 HF,gas -2.90 -2.90 -0.00 -0.000 0.21018E-11 9 HCl,gas 1.27 1.27 0.00 0.000 -0.52544E-12 10 Hg,gas -8.88 -8.88 -0.00 -0.000 0.12611E-10 43 clinochlore 16.36 16.36 -0.00 -0.000 0.16814E-10 44 daphnite 8.60 8.60 0.00 0.000 0.00000E+00 45 chlorite-Mn 24.58 24.58 -0.00 -0.000 0.42036E-10 146 quartz -2.20 -2.20 0.00 0.000 0.00000E+00 The following gases and minerals are presently EXCLUDED from matrix (Gases and minerals with log(Q/K) less than -5 are not listed below) Gas or Mineral Log K Log Q Log(Q/K) Log(Q/K)/S Affinity Log Fugacity 11 acmite 5.01 2.11 -2.91 -0.302 0.68822E+04 15 albite-high -3.13 -4.19 -1.06 -0.082 0.25083E+04 16 albite -3.66 -4.19 -0.53 -0.041 0.12514E+04 20 analcite -0.72 -1.99 -1.26 -0.141 0.29933E+04 21 andalusite -4.54 -7.63 -3.09 -0.309 0.73039E+04 22 andradite 23.87 20.87 -3.00 -0.156 0.70976E+04 23 grossular 14.54 12.68 -1.85 -0.093 0.43888E+04 24 anhydrite -8.30 -13.15 -4.85 -2.425 0.11475E+05 25 ankerite -5.86 -8.24 -2.39 -0.398 0.56450E+04 26 annite 7.90 3.26 -4.64 -0.258 0.10987E+05 27 phlogopite 13.23 11.91 -1.32 -0.073 0.31211E+04 29 anorthite 0.10 -1.59 -1.69 -0.130 0.39921E+04 32 aragonite -1.05 -1.39 -0.34 -0.112 0.79438E+03 33 brucite 8.40 5.66 -2.74 -0.547 0.64740E+04 34 calcite -1.21 -1.39 -0.18 -0.061 0.43412E+03 35 carnegieite-low 3.29 0.21 -3.08 -0.440 0.72818E+04 36 carnegieite-high 3.84 0.21 -3.62 -0.518 0.85757E+04 37 carpholite-Mg -1.78 -4.17 -2.39 -0.160 0.56631E+04 38 carpholite-Fe -3.23 -7.05 -3.83 -0.255 0.90614E+04 39 celadonite 0.49 -1.62 -2.11 -0.124 0.49850E+04 40 celadonite-Fe -0.80 -4.50 -3.70 -0.218 0.87639E+04 41 chrysotile 14.72 12.57 -2.14 -0.178 0.50681E+04 46 chlorite-Al-free 29.14 25.15 -3.99 -0.166 0.94375E+04 47 chloritoid-Mg 0.93 -1.97 -2.90 -0.193 0.68513E+04 48 chloritoid-Fe -1.92 -4.85 -2.94 -0.196 0.69467E+04 49 chloritoid-Mn 0.29 -4.29 -4.59 -0.306 0.10854E+05 51 coesite -1.74 -2.20 -0.46 -0.155 0.10995E+04 56 corundum -2.05 -5.43 -3.38 -0.307 0.79876E+04 58 cristobalite -1.98 -2.20 -0.22 -0.073 0.51838E+03 61 cymrite-K -1.63 -5.07 -3.44 -0.287 0.81491E+04 63 diaspore -1.47 -2.71 -1.24 -0.207 0.29421E+04 64 diamond -1.88 -4.05 -2.17 -0.619 0.51277E+04 65 diopside 9.85 9.49 -0.36 -0.036 0.85096E+03 66 hedenbergite 8.31 6.61 -1.70 -0.170 0.40120E+04 67 dolomite,ordered -3.80 -5.36 -1.55 -0.259 0.36769E+04 68 eastonite 7.42 3.02 -4.39 -0.169 0.10398E+05 69 enstatite 9.74 6.91 -2.83 -0.283 0.66970E+04 70 clinoenstatite-HiP 10.54 6.91 -3.63 -0.363 0.85840E+04 71 clinoenstatite 9.68 6.91 -2.76 -0.276 0.65403E+04 72 protoenstatite 10.08 6.91 -3.17 -0.317 0.74955E+04 73 epidote 7.49 5.83 -1.67 -0.081 0.39414E+04 74 clinozoisite 3.56 1.73 -1.83 -0.083 0.43350E+04 75 epidote-Fe 13.87 9.92 -3.95 -0.205 0.93454E+04 76 fayalite 7.29 3.35 -3.94 -0.563 0.93206E+04 77 ferrosilite 5.20 1.15 -4.05 -0.405 0.95848E+04 78 forsterite 12.45 9.12 -3.34 -0.477 0.78964E+04 81 gibbsite -0.11 -2.71 -2.60 -0.371 0.61480E+04 82 glaucophane 7.67 4.19 -3.48 -0.094 0.82379E+04 84 goethite 3.50 1.38 -2.12 -0.458 0.50151E+04 85 graphite -2.26 -4.05 -1.79 -0.510 0.42273E+04 86 greenalite 8.85 3.92 -4.92 -0.410 0.11650E+05 88 halite 0.97 -3.29 -4.26 -2.131 0.10084E+05 89 hematite 6.13 2.76 -3.37 -0.408 0.79687E+04 90 heulandite -11.88 -12.61 -0.72 -0.033 0.17153E+04 94 jadeite 0.17 -1.99 -2.15 -0.215 0.50975E+04 96 kalsilite 2.44 -0.67 -3.10 -0.443 0.73409E+04 97 kaolinite -7.60 -9.83 -2.23 -0.203 0.52766E+04 98 kyanite -4.49 -7.63 -3.13 -0.313 0.74154E+04 100 laumontite -4.99 -6.00 -1.00 -0.067 0.23759E+04 101 lawsonite -0.08 -1.59 -1.51 -0.101 0.35795E+04 102 leucite -0.39 -2.87 -2.48 -0.248 0.58792E+04 104 lizardite 14.44 12.57 -1.87 -0.156 0.44170E+04 105 magnesite -1.94 -3.97 -2.03 -0.676 0.48009E+04 106 magnetite 10.09 5.54 -4.56 -0.372 0.10785E+05 107 minnesotaite 3.97 -0.48 -4.45 -0.262 0.10538E+05 108 minnesotaite-Mg 11.61 8.17 -3.45 -0.203 0.81552E+04 112 margarite -3.63 -7.02 -3.39 -0.136 0.80209E+04 115 microcline -4.84 -5.07 -0.23 -0.018 0.54351E+03 116 monticellite 15.68 11.70 -3.98 -0.569 0.94198E+04 118 mullite-Si -3.04 -7.63 -4.59 -0.459 0.10866E+05 119 muscovite -8.48 -10.50 -2.02 -0.119 0.47744E+04 120 paragonite -7.49 -9.62 -2.12 -0.125 0.50232E+04 121 nepheline 2.77 0.21 -2.55 -0.365 0.60410E+04 126 periclase 10.32 5.66 -4.66 -1.164 0.11018E+05 127 periclase-Fe 6.93 2.78 -4.16 -1.039 0.98372E+04 133 phlogopite-Na 14.77 12.79 -1.98 -0.110 0.46844E+04 135 prehnite 5.44 4.45 -1.00 -0.059 0.23606E+04 136 prehnite-Fe 10.15 8.54 -1.61 -0.097 0.38079E+04 137 pumpellyite-Fe 12.81 8.95 -3.85 -0.086 0.91164E+04 138 pumpellyite-Mg 14.83 11.84 -2.99 -0.066 0.70800E+04 140 px-Ca-tschermaks 4.76 0.61 -4.15 -0.296 0.98131E+04 141 pyrite -19.55 -20.46 -0.91 -0.214 0.21561E+04 142 pyrrhotite -5.81 -7.45 -1.64 -0.545 0.38694E+04 143 pyrrhotiteFe0.875 -6.98 -8.14 -1.16 -0.427 0.27496E+04 144 pyroxmangite 4.48 1.13 -3.35 -0.669 0.79194E+04 145 pyrophyllite -11.85 -14.24 -2.38 -0.149 0.56425E+04 151 rhodochrosite -2.63 -6.29 -3.67 -1.222 0.86775E+04 152 rhodonite 4.49 1.13 -3.36 -0.672 0.79569E+04 153 sanidine -3.97 -5.07 -1.10 -0.085 0.26098E+04 155 siderite -4.37 -6.85 -2.48 -0.827 0.58723E+04 156 sillimanite -4.39 -7.63 -3.24 -0.324 0.76569E+04 163 stilbite -10.86 -12.61 -1.74 -0.083 0.41271E+04 165 stilpnomelane-Mg 8.30 7.38 -0.92 -0.028 0.21858E+04 166 stishovite 2.17 -2.20 -4.37 -1.456 0.10337E+05 168 sudoite -1.15 -6.14 -4.99 -0.161 0.11806E+05 169 sulfur -8.76 -13.01 -4.25 -1.309 0.10068E+05 171 talc 8.72 8.17 -0.55 -0.032 0.13053E+04 173 talc-tschermaks 3.65 -0.71 -4.36 -0.257 0.10322E+05 178 topaz-H -3.71 -7.63 -3.92 -0.356 0.92761E+04 179 tridymite -2.01 -2.20 -0.19 -0.065 0.45910E+03 180 tremolite 27.60 27.16 -0.45 -0.012 0.10589E+04 182 troilite-low -5.84 -7.45 -1.61 -0.535 0.38016E+04 183 tschermakite 14.24 9.39 -4.85 -0.131 0.11468E+05 188 wairakite -5.35 -6.00 -0.65 -0.038 0.15335E+04 189 walstromite 7.74 6.04 -1.70 -0.341 0.40310E+04 190 wollastonite 7.00 6.04 -0.96 -0.192 0.22753E+04 191 pseudo-wollastonite 7.32 6.04 -1.28 -0.256 0.30313E+04 192 zoisite 3.60 1.73 -1.87 -0.085 0.44154E+04 193 beidellite-Ca -10.06 -13.04 -2.99 -0.185 0.70706E+04 194 beidellite-H -10.39 -14.40 -4.02 -0.256 0.95036E+04 195 beidellite-K -9.45 -13.00 -3.55 -0.218 0.84081E+04 196 beidellite-Mg -10.29 -13.47 -3.18 -0.196 0.75142E+04 197 beidellite-Na -9.40 -12.71 -3.31 -0.203 0.78440E+04 198 bornite -68.58 -68.84 -0.25 -0.019 0.60139E+03 200 chalcedony -2.07 -2.20 -0.14 -0.045 0.32107E+03 201 chalcocite -20.44 -21.95 -1.52 -0.379 0.35861E+04 202 covellite -15.40 -17.48 -2.09 -0.794 0.49350E+04 204 montmorillonite-Ca -8.32 -10.11 -1.79 -0.111 0.42462E+04 205 montmorillonite-K -7.84 -10.07 -2.24 -0.137 0.52894E+04 206 montmorillonite-Mg -8.58 -10.54 -1.96 -0.121 0.46368E+04 207 montmorillonite-Na -7.70 -9.78 -2.08 -0.128 0.49325E+04 209 nontronite-Ca -1.37 -4.86 -3.49 -0.227 0.82669E+04 210 nontronite-H -1.70 -6.22 -4.52 -0.303 0.10689E+05 211 nontronite-K -0.76 -4.82 -4.06 -0.260 0.96018E+04 212 nontronite-Mg -1.60 -5.28 -3.68 -0.239 0.87175E+04 213 nontronite-Na -0.70 -4.53 -3.82 -0.245 0.90426E+04 229 tobermorite 8.18 4.66 -3.52 -0.959 0.83191E+04 235 alabandite -3.05 -6.89 -3.84 -1.279 0.90787E+04 240 boehmite -0.60 -2.71 -2.12 -0.353 0.50078E+04 242 chalcopyrite -24.41 -24.93 -0.52 -0.097 0.12380E+04 245 copper,native -1.02 -4.47 -3.45 -1.199 0.81564E+04 246 dolomite,disordered -3.47 -5.36 -1.89 -0.315 0.44658E+04 247 ferrous-oxide 5.57 2.78 -2.79 -0.699 0.66131E+04 248 fluorite -11.45 -12.83 -1.38 -0.459 0.32618E+04 249 galena -10.12 -10.47 -0.34 -0.115 0.81319E+03 257 silica-amorphous -1.68 -2.20 -0.52 -0.173 0.12294E+04 260 sphalerite -10.09 -11.23 -1.14 -0.381 0.27013E+04 261 wurtzite -8.77 -11.23 -2.46 -0.820 0.58215E+04 263 an20ab80 -3.13 -3.67 -0.54 -0.042 0.12857E+04 264 an25ab75 -2.97 -3.54 -0.57 -0.044 0.13578E+04 265 an30ab70 -2.80 -3.41 -0.61 -0.047 0.14460E+04 266 tr.625ac.25prg.125 23.48 23.02 -0.46 -0.012 0.10883E+04 271 FeS-amorphous -4.07 -7.45 -3.37 -1.124 0.79826E+04 Calculations done for 244.0000 Deg. C; 36.4533 bar Enthalpies: Pure water 4.5467 kcal/mole H2O,gas 12.0446 kcal/mole CO2,gas 3.2858 kcal/mole CH4,gas 3.1949 kcal/mole Current solution 227.2241 Gas 69.3065 kcal Total current enthalpy 296.5306 kcal Starting enthalpy 296.5306 kcal Temperature changed by -2.000 degrees to 242.000 degrees C. Solids and gases carried ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ Test file for CHIM-XPT. Boil Broadlands Water Water similar to Broadlands Well No. 2 CHIMRUN demo-2a ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ Number of loops used = 14 Loop limit = 200 Temperature = 242.00 C Pressure = 35.17 bar Mixer fraction = 0.0000000 Total current enthalpy = 296.5306 KCAL Water: Moles liquid = 0.4971E+02 kg liquid = 0.8955E+00 Moles total = 0.5551E+02 kg total = 0.1000E+01 Activity = 0.9998 Stoichiometric ionic strength = .4231454E-01 Osmotic coef. = 0.9008 True ionic strength = .3583806E-01 Chg. balance for total moles = 0.2402E-07 Max. difference allowed = 0.3072E-05 Log Log Log Species(n) Molality Molality Activity Activity Gamma Gamma 1 H+ 0.22209E-06 -6.6535 0.15970E-06 -6.7967 0.71909E+00 -0.1432 2 H2O 0.99982E+00 -0.0001 0.99982E+00 -0.0001 3 Cl- 0.32921E-01 -1.4825 0.23338E-01 -1.6319 0.70891E+00 -0.1494 4 SO4-- 0.61131E-07 -7.2137 0.16944E-07 -7.7710 0.27718E+00 -0.5572 5 HCO3- 0.20124E-02 -2.6963 0.14355E-02 -2.8430 0.71335E+00 -0.1467 6 HS- 0.51362E-03 -3.2894 0.36435E-03 -3.4385 0.70938E+00 -0.1491 7 H4SiO4 0.61529E-02 -2.2109 0.61529E-02 -2.2109 0.10000E+01 0.0000 8 Al+++ 0.16272E-21 -21.7886 0.88792E-23 -23.0516 0.54567E-01 -1.2631 9 Ca++ 0.18109E-04 -4.7421 0.49039E-05 -5.3095 0.27080E+00 -0.5673 10 Mg++ 0.47328E-07 -7.3249 0.12592E-07 -7.8999 0.26605E+00 -0.5750 11 Fe++ 0.60611E-10 -10.2175 0.16196E-10 -10.7906 0.26722E+00 -0.5731 12 K+ 0.41191E-02 -2.3852 0.29434E-02 -2.5312 0.71457E+00 -0.1460 13 Na+ 0.31643E-01 -1.4997 0.22440E-01 -1.6490 0.70917E+00 -0.1492 14 Mn++ 0.23563E-09 -9.6278 0.63170E-10 -10.1995 0.26809E+00 -0.5717 15 Zn++ 0.10865E-13 -13.9640 0.29033E-14 -14.5371 0.26722E+00 -0.5731 16 Cu+ 0.30006E-12 -12.5228 0.21275E-12 -12.6721 0.70902E+00 -0.1493 17 Pb++ 0.59060E-13 -13.2287 0.16167E-13 -13.7914 0.27375E+00 -0.5627 18 Hg++ 0.11574E-33 -33.9365 0.31521E-34 -34.5014 0.27235E+00 -0.5649 19 F- 0.25670E-03 -3.5906 0.17986E-03 -3.7451 0.70067E+00 -0.1545 21 HSiO3- 0.51823E-04 -4.2855 0.36737E-04 -4.4349 0.70891E+00 -0.1494 22 Ca(HSiO3)+ 0.13609E-06 -6.8662 0.97324E-07 -7.0118 0.71515E+00 -0.1456 23 Mg(HSiO3)+ 0.25007E-09 -9.6019 0.17884E-09 -9.7475 0.71515E+00 -0.1456 24 NaHSiO3,aq 0.10496E-04 -4.9790 0.10496E-04 -4.9790 0.10000E+01 0.0000 27 HAlO2,aq 0.74679E-08 -8.1268 0.74679E-08 -8.1268 0.10000E+01 0.0000 28 AlO2- 0.24422E-05 -5.6122 0.17143E-05 -5.7659 0.70196E+00 -0.1537 29 CH4,aq 0.39286E-04 -4.4058 0.38791E-04 -4.4113 0.98740E+00 -0.0055 34 CO,aq 0.25435E-07 -7.5946 0.25435E-07 -7.5946 0.10000E+01 0.0000 35 CO2,aq 0.93198E-02 -2.0306 0.92023E-02 -2.0361 0.98740E+00 -0.0055 36 CO3-2 0.52349E-06 -6.2811 0.14401E-06 -6.8416 0.27510E+00 -0.5605 37 CaCO3,aq 0.94402E-06 -6.0250 0.94402E-06 -6.0250 0.10000E+01 0.0000 38 Ca(HCO3)+ 0.81005E-05 -5.0915 0.57931E-05 -5.2371 0.71515E+00 -0.1456 39 CaCl+ 0.91945E-05 -5.0365 0.65754E-05 -5.1821 0.71515E+00 -0.1456 40 CaCl2,aq 0.11391E-06 -6.9434 0.11391E-06 -6.9434 0.10000E+01 0.0000 41 CaF+ 0.73012E-06 -6.1366 0.52215E-06 -6.2822 0.71515E+00 -0.1456 42 CaOH+ 0.24410E-05 -5.6124 0.17457E-05 -5.7580 0.71515E+00 -0.1456 43 CaSO4,aq 0.85784E-09 -9.0666 0.85784E-09 -9.0666 0.10000E+01 0.0000 44 HCl,aq 0.73095E-08 -8.1361 0.73095E-08 -8.1361 0.10000E+01 0.0000 53 CuCl,aq 0.43657E-10 -10.3600 0.43657E-10 -10.3600 0.10000E+01 0.0000 54 CuCl2- 0.30396E-10 -10.5172 0.21548E-10 -10.6666 0.70891E+00 -0.1494 61 HF,aq 0.62719E-05 -5.2026 0.62719E-05 -5.2026 0.10000E+01 0.0000 62 HF2- 0.48462E-09 -9.3146 0.34355E-09 -9.4640 0.70891E+00 -0.1494 64 FeCl+ 0.20100E-10 -10.6968 0.14374E-10 -10.8424 0.71515E+00 -0.1456 69 FeO,aq 0.54198E-09 -9.2660 0.54198E-09 -9.2660 0.10000E+01 0.0000 70 FeOH+ 0.50765E-09 -9.2944 0.36305E-09 -9.4400 0.71515E+00 -0.1456 71 HFeO2- 0.18139E-09 -9.7414 0.12859E-09 -9.8908 0.70891E+00 -0.1494 74 FeO2- 0.16788E-09 -9.7750 0.11901E-09 -9.9244 0.70891E+00 -0.1494 75 HFeO2,aq 0.57444E-10 -10.2408 0.57444E-10 -10.2408 0.10000E+01 0.0000 76 H2,aq 0.66270E-04 -4.1787 0.65435E-04 -4.1842 0.98740E+00 -0.0055 77 Hg,aq 0.15674E-09 -9.8048 0.15476E-09 -9.8103 0.98740E+00 -0.0055 90 KCl,aq 0.29731E-04 -4.5268 0.29731E-04 -4.5268 0.10000E+01 0.0000 92 KOH,aq 0.43582E-06 -6.3607 0.43582E-06 -6.3607 0.10000E+01 0.0000 93 KSO4- 0.15066E-07 -7.8220 0.10680E-07 -7.9714 0.70891E+00 -0.1494 94 MgCO3,aq 0.27890E-09 -9.5546 0.27890E-09 -9.5546 0.10000E+01 0.0000 95 Mg(HCO3)+ 0.19053E-07 -7.7200 0.13626E-07 -7.8656 0.71515E+00 -0.1456 96 MgCl+ 0.11638E-07 -7.9341 0.83226E-08 -8.0797 0.71515E+00 -0.1456 97 MgF+ 0.51487E-08 -8.2883 0.36820E-08 -8.4339 0.71515E+00 -0.1456 98 MgOH+ 0.19703E-07 -7.7055 0.14091E-07 -7.8511 0.71515E+00 -0.1456 101 MnO,aq 0.62619E-10 -10.2033 0.62619E-10 -10.2033 0.10000E+01 0.0000 102 MnOH+ 0.28900E-09 -9.5391 0.20668E-09 -9.6847 0.71515E+00 -0.1456 107 MnCl+ 0.14259E-08 -8.8459 0.10198E-08 -8.9915 0.71515E+00 -0.1456 109 NaCl,aq 0.13451E-02 -2.8712 0.13451E-02 -2.8712 0.10000E+01 0.0000 110 NaF,aq 0.85119E-05 -5.0700 0.85119E-05 -5.0700 0.10000E+01 0.0000 111 NaOH,aq 0.21591E-05 -5.6657 0.21591E-05 -5.6657 0.10000E+01 0.0000 113 OH- 0.60241E-04 -4.2201 0.42287E-04 -4.3738 0.70196E+00 -0.1537 122 PbO,aq 0.15198E-10 -10.8182 0.15198E-10 -10.8182 0.10000E+01 0.0000 124 Pb(HS)2,aq 0.11878E-07 -7.9253 0.11878E-07 -7.9253 0.10000E+01 0.0000 125 Pb(HS)3- 0.21588E-09 -9.6658 0.15304E-09 -9.8152 0.70891E+00 -0.1494 126 H2S,aq 0.80695E-03 -3.0932 0.79678E-03 -3.0987 0.98740E+00 -0.0055 127 S2-2 0.14393E-09 -9.8418 0.39596E-10 -10.4023 0.27510E+00 -0.5605 134 HSO3- 0.17974E-10 -10.7453 0.12742E-10 -10.8948 0.70891E+00 -0.1494 135 HSO4- 0.50975E-09 -9.2926 0.36562E-09 -9.4370 0.71725E+00 -0.1443 154 ZnOH+ 0.11323E-09 -9.9460 0.80975E-10 -10.0916 0.71515E+00 -0.1456 159 AlF3,aq 0.69903E-10 -10.1555 0.69903E-10 -10.1555 0.10000E+01 0.0000 160 AlF4- 0.68880E-10 -10.1619 0.48830E-10 -10.3113 0.70891E+00 -0.1494 164 Cu(HS)2- 0.69503E-07 -7.1580 0.49271E-07 -7.3074 0.70891E+00 -0.1494 166 CuH4S3-b 0.70528E-10 -10.1516 0.49998E-10 -10.3010 0.70891E+00 -0.1494 180 MnCl2,aq 0.79289E-09 -9.1008 0.79289E-09 -9.1008 0.10000E+01 0.0000 181 MnCl3- 0.13250E-09 -9.8778 0.93927E-10 -10.0272 0.70891E+00 -0.1494 182 MnCO3,aq 0.96977E-10 -10.0133 0.96977E-10 -10.0133 0.10000E+01 0.0000 183 NaCO3- 0.27994E-06 -6.5529 0.19845E-06 -6.7023 0.70891E+00 -0.1494 184 NaHCO3,aq 0.64759E-04 -4.1887 0.64759E-04 -4.1887 0.10000E+01 0.0000 185 NaHS,aq 0.16437E-04 -4.7842 0.16437E-04 -4.7842 0.10000E+01 0.0000 186 NaSO4- 0.23772E-07 -7.6239 0.16852E-07 -7.7733 0.70891E+00 -0.1494 187 PbCO3,aq 0.21600E-09 -9.6655 0.21600E-09 -9.6655 0.10000E+01 0.0000 188 PbOH+ 0.59436E-10 -10.2260 0.42505E-10 -10.3716 0.71515E+00 -0.1456 193 Zn(HS)2,aq 0.16664E-07 -7.7782 0.16664E-07 -7.7782 0.10000E+01 0.0000 194 Zn(HS)3- 0.29155E-09 -9.5353 0.20668E-09 -9.6847 0.70891E+00 -0.1494 Charge balance for all species = 0.2682E-07 Component Molality Aq.molality ppm log[A(N)/A(H+)**Z] (total) 1 H+ 0.2220905E-06 0.9977362E-02 0.1002326E+02 0.0000 2 H2O 0.1000000E+01 0.5549904E+02 0.9965190E+06 0.0000 3 Cl- 0.3292055E-01 0.3430487E-01 0.1212180E+04 5.1647 4 SO4-- 0.6113108E-07 -.5575837E-04 -.5338490E+01 5.8224 5 HCO3- 0.2012359E-02 0.1144605E-01 0.6960917E+03 3.9537 6 HS- 0.5136212E-03 0.1393068E-02 0.4591888E+02 3.3582 7 H4SiO4 0.6152855E-02 0.6215311E-02 0.5954076E+03 -2.2109 8 Al+++ 0.1627192E-21 0.2449835E-05 0.6588120E-01 -2.6616 9 Ca++ 0.1810871E-04 0.3976975E-04 0.1588611E+01 8.2839 10 Mg++ 0.4732778E-07 0.1034062E-06 0.2505681E-02 5.6935 11 Fe++ 0.6061054E-10 0.1541098E-08 0.8578052E-04 2.8028 12 K+ 0.4119098E-02 0.4149281E-02 0.1617076E+03 4.2655 13 Na+ 0.3164304E-01 0.3309084E-01 0.7582310E+03 5.1477 14 Mn++ 0.2356294E-09 0.3041926E-08 0.1665636E-03 3.3939 15 Zn++ 0.1086478E-13 0.1708534E-07 0.1113168E-02 -0.9437 16 Cu+ 0.3000636E-12 0.6965246E-07 0.4411053E-02 -5.8754 17 Pb++ 0.5905967E-13 0.1239525E-07 0.2559661E-02 -0.1980 18 Hg++ 0.1157367E-33 0.1575427E-09 0.3149677E-04 -20.9080 19 F- 0.2567030E-03 0.2722235E-03 0.5154566E+01 3.0516 Component Tot moles Aq. moles Solid moles Gas moles 1 H+ 0.1822172E+00 0.8934774E-02 -.4787303E-06 0.1732829E+00 2 H2O 0.5550825E+02 0.4969965E+02 -.4578653E-02 0.5813181E+01 3 Cl- 0.3072017E-01 0.3072017E-01 0.0000000E+00 0.1156868E-08 4 SO4-- -.4257700E-02 -.4993188E-04 0.0000000E+00 -.4207768E-02 5 HCO3- 0.1832100E+00 0.1024999E-01 0.0000000E+00 0.1729600E+00 6 HS- 0.9985820E-02 0.1247499E-02 0.0000000E+00 0.8738321E-02 7 H4SiO4 0.7855346E-02 0.5565840E-02 0.2289506E-02 0.0000000E+00 8 Al+++ 0.2253680E-05 0.2193839E-05 0.5984129E-07 0.0000000E+00 9 Ca++ 0.3561400E-04 0.3561400E-04 0.0000000E+00 0.0000000E+00 10 Mg++ 0.2355503E-06 0.9260073E-07 0.1429495E-06 0.0000000E+00 11 Fe++ 0.8017372E-08 0.1380060E-08 0.6637312E-08 0.0000000E+00 12 K+ 0.3715700E-02 0.3715700E-02 0.0000000E+00 0.0000000E+00 13 Na+ 0.2963300E-01 0.2963300E-01 0.0000000E+00 0.0000000E+00 14 Mn++ 0.2740424E-08 0.2724059E-08 0.1636441E-10 0.0000000E+00 15 Zn++ 0.1530000E-07 0.1530000E-07 0.0000000E+00 0.0000000E+00 16 Cu+ 0.6237410E-07 0.6237410E-07 0.0000000E+00 0.0000000E+00 17 Pb++ 0.1110000E-07 0.1110000E-07 0.0000000E+00 0.0000000E+00 18 Hg++ 0.4000000E-08 0.1410802E-09 0.0000000E+00 0.3858920E-08 19 F- 0.2439100E-03 0.2437774E-03 0.0000000E+00 0.1325588E-06 Chg. balance for solid moles: 0.5172E-17 Mass of aqueous solution: 0.898482E+03 g Temperature = 242.00 C Pressure = 35.17 bar Mixer frac. = 0.0000000 Log Log Vol Gas or mineral Moles Moles Grams Grams Wt.% (cm3) H2O,gas 5.975 0.776 107.6 2.032 93.33 6095. CO2,gas 0.1700 -0.770 7.482 0.874 6.489 218.2 CH4,gas 0.2950E-02 -2.530 0.4731E-01 -1.325 0.4103E-01 4.154 H2,gas 0.5031E-02 -2.298 0.1016E-01 -1.993 0.8813E-02 6.209 H2S,gas 0.4531E-02 -2.344 0.1544 -0.811 0.1339 5.236 CO,gas 0.1620E-05 -5.791 0.4537E-04 -4.343 0.3935E-04 0.1973E-02 SO2,gas 0.2213E-12 -12.655 0.1417E-10 -10.849 0.1229E-10 0.2695E-09 HF,gas 0.1326E-06 -6.878 0.2651E-05 -5.577 0.2299E-05 0.1614E-03 HCl,gas 0.1157E-08 -8.937 0.4218E-07 -7.375 0.3658E-07 0.1409E-05 Hg,gas 0.3859E-08 -8.414 0.7741E-06 -6.111 0.6713E-06 0.4700E-05 clinochlore 0.2859E-07 -7.544 0.1589E-04 -4.799 0.1155E-01 0.6045E-05 daphnite 0.1327E-08 -8.877 0.9472E-06 -6.024 0.6885E-03 0.2870E-06 chlorite-Mn 0.3273E-11 -11.485 0.2320E-08 -8.634 0.1687E-05 0.7394E-09 quartz 0.2289E-02 -2.640 0.1375 -0.862 99.99 0.5194E-01 Partial press. Fugacity coef Log fugacity Gas or Mineral Mole fraction or activity Activity coef Log activity H2O,gas 0.9704E+00 0.3413E+02 0.8648 1.470 CO2,gas 0.2761E-01 0.9710E+00 0.9999 -0.013 CH4,gas 0.4790E-03 0.1685E-01 1.1341 -1.719 H2,gas 0.8169E-03 0.2873E-01 1.0136 -1.536 H2S,gas 0.7358E-03 0.2588E-01 0.9488 -1.610 CO,gas 0.2630E-06 0.9251E-05 1.0000 -5.034 SO2,gas 0.3593E-13 0.1264E-11 1.0000 -11.898 HF,gas 0.2153E-07 0.7571E-06 1.0000 -6.121 HCl,gas 0.1879E-09 0.6607E-08 1.0000 -8.180 Hg,gas 0.6267E-09 0.2204E-07 1.0000 -7.657 clinochlore 0.9555E+00 0.9555E+00 1.0000 -0.020 daphnite 0.4437E-01 0.4437E-01 1.0000 -1.353 chlorite-Mn 0.1094E-03 0.1094E-03 1.0000 -3.961 quartz 0.1000E+01 0.1000E+01 1.0000 0.000 Current weight percent of gas: 11.372374 % Solid products produced: Mass = 0.137565 g Volume = 0.051950 cm3 WARNING: mineral volume may be in error because some mineral densities were not supplied in SOLTHERM. See mineral list in file Skip_Species.txt. NON-Ideal mixing with H2O, CO2, CH4 Gases ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ The following gases and minerals are presently in matrix or were just added Gas or Mineral Log K Log Q Log(Q/K) Log(Q/K)/S Affinity Log Fugacity 1 H2O,gas 0.08 0.08 -0.00 -0.000 0.67402E-09 2 CO2,gas -8.08 -8.08 0.00 0.000 -0.22193E-09 3 CH4,gas 4.75 4.75 0.00 0.000 -0.64903E-09 4 H2,gas 5.86 5.86 0.00 0.000 -0.56529E-10 5 H2S,gas -7.08 -7.08 -0.00 -0.000 0.21565E-09 6 CO,gas -0.28 -0.28 -0.00 -0.000 0.10468E-11 7 SO2,gas -5.14 -5.14 0.00 0.000 0.00000E+00 8 HF,gas -2.87 -2.87 -0.00 -0.000 0.41873E-11 9 HCl,gas 1.30 1.30 0.00 0.000 0.00000E+00 10 Hg,gas -8.92 -8.92 0.00 0.000 -0.12562E-10 43 clinochlore 16.61 16.61 0.00 0.000 -0.83746E-11 44 daphnite 8.82 8.82 0.00 0.000 -0.41873E-11 45 chlorite-Mn 24.82 24.82 -0.00 -0.000 0.16749E-10 146 quartz -2.21 -2.21 0.00 0.000 0.00000E+00 The following gases and minerals are presently EXCLUDED from matrix (Gases and minerals with log(Q/K) less than -5 are not listed below) Gas or Mineral Log K Log Q Log(Q/K) Log(Q/K)/S Affinity Log Fugacity 11 acmite 5.04 2.14 -2.91 -0.302 0.68479E+04 15 albite-high -3.09 -4.15 -1.06 -0.081 0.24953E+04 16 albite -3.62 -4.15 -0.52 -0.040 0.12303E+04 20 analcite -0.68 -1.94 -1.26 -0.140 0.29632E+04 21 andalusite -4.43 -7.53 -3.10 -0.310 0.73098E+04 22 andradite 24.04 21.04 -2.99 -0.156 0.70581E+04 23 grossular 14.74 12.90 -1.85 -0.092 0.43511E+04 24 anhydrite -8.25 -13.08 -4.83 -2.417 0.11394E+05 25 ankerite -5.80 -8.19 -2.40 -0.399 0.56459E+04 26 annite 8.03 3.38 -4.65 -0.259 0.10969E+05 27 phlogopite 13.37 12.05 -1.32 -0.074 0.31192E+04 29 anorthite 0.24 -1.46 -1.70 -0.131 0.40027E+04 32 aragonite -1.02 -1.36 -0.33 -0.111 0.78540E+03 33 brucite 8.44 5.69 -2.75 -0.549 0.64710E+04 34 calcite -1.17 -1.36 -0.18 -0.060 0.42635E+03 35 carnegieite-low 3.35 0.28 -3.08 -0.440 0.72585E+04 36 carnegieite-high 3.91 0.28 -3.63 -0.519 0.85592E+04 37 carpholite-Mg -1.66 -4.05 -2.39 -0.159 0.56342E+04 38 carpholite-Fe -3.11 -6.94 -3.83 -0.255 0.90272E+04 39 celadonite 0.55 -1.55 -2.09 -0.123 0.49327E+04 40 celadonite-Fe -0.74 -4.44 -3.70 -0.217 0.87103E+04 41 chrysotile 14.81 12.66 -2.15 -0.179 0.50743E+04 46 chlorite-Al-free 29.32 25.32 -4.01 -0.167 0.94437E+04 47 chloritoid-Mg 1.06 -1.84 -2.90 -0.194 0.68459E+04 48 chloritoid-Fe -1.79 -4.73 -2.94 -0.196 0.69305E+04 49 chloritoid-Mn 0.42 -4.14 -4.56 -0.304 0.10745E+05 51 coesite -1.74 -2.21 -0.47 -0.155 0.10989E+04 56 corundum -1.93 -5.32 -3.39 -0.308 0.79932E+04 58 cristobalite -1.99 -2.21 -0.22 -0.074 0.52119E+03 61 cymrite-K -1.59 -5.03 -3.44 -0.286 0.81039E+04 63 diaspore -1.42 -2.66 -1.24 -0.207 0.29270E+04 64 diamond -1.89 -4.08 -2.19 -0.625 0.51550E+04 65 diopside 9.92 9.56 -0.37 -0.037 0.86114E+03 66 hedenbergite 8.37 6.67 -1.70 -0.170 0.40176E+04 67 dolomite,ordered -3.74 -5.30 -1.56 -0.260 0.36827E+04 68 eastonite 7.65 3.25 -4.41 -0.169 0.10384E+05 69 enstatite 9.82 6.97 -2.86 -0.286 0.67372E+04 70 clinoenstatite-HiP 10.62 6.97 -3.66 -0.366 0.86237E+04 71 clinoenstatite 9.76 6.97 -2.79 -0.279 0.65802E+04 72 protoenstatite 10.16 6.97 -3.20 -0.320 0.75378E+04 73 epidote 7.68 6.02 -1.66 -0.081 0.39148E+04 74 clinozoisite 3.78 1.95 -1.83 -0.083 0.43144E+04 75 epidote-Fe 14.05 10.10 -3.95 -0.205 0.93097E+04 76 fayalite 7.36 3.39 -3.97 -0.567 0.93492E+04 77 ferrosilite 5.26 1.18 -4.08 -0.408 0.96120E+04 78 forsterite 12.54 9.18 -3.37 -0.481 0.79374E+04 81 gibbsite -0.07 -2.66 -2.59 -0.371 0.61140E+04 82 glaucophane 7.84 4.37 -3.48 -0.094 0.81921E+04 84 goethite 3.53 1.41 -2.12 -0.459 0.49993E+04 85 graphite -2.27 -4.08 -1.81 -0.516 0.42568E+04 86 greenalite 8.92 3.99 -4.94 -0.411 0.11640E+05 88 halite 0.99 -3.28 -4.27 -2.134 0.10061E+05 89 hematite 6.20 2.82 -3.38 -0.409 0.79609E+04 90 heulandite -11.81 -12.52 -0.70 -0.032 0.16613E+04 94 jadeite 0.21 -1.94 -2.15 -0.215 0.50618E+04 96 kalsilite 2.49 -0.61 -3.10 -0.443 0.73065E+04 97 kaolinite -7.53 -9.75 -2.22 -0.201 0.52245E+04 98 kyanite -4.39 -7.53 -3.15 -0.315 0.74170E+04 100 laumontite -4.90 -5.88 -0.98 -0.065 0.23106E+04 101 lawsonite 0.03 -1.46 -1.49 -0.100 0.35187E+04 102 leucite -0.33 -2.82 -2.48 -0.248 0.58532E+04 104 lizardite 14.53 12.66 -1.87 -0.156 0.44161E+04 105 magnesite -1.90 -3.95 -2.04 -0.681 0.48151E+04 106 magnetite 10.20 5.63 -4.58 -0.374 0.10793E+05 107 minnesotaite 4.04 -0.44 -4.48 -0.263 0.10551E+05 108 minnesotaite-Mg 11.71 8.24 -3.47 -0.204 0.81843E+04 112 margarite -3.39 -6.78 -3.39 -0.136 0.80007E+04 115 microcline -4.81 -5.03 -0.21 -0.017 0.50624E+03 116 monticellite 15.77 11.77 -4.00 -0.572 0.94328E+04 118 mullite-Si -2.92 -7.53 -4.61 -0.461 0.10876E+05 119 muscovite -8.35 -10.35 -2.00 -0.118 0.47152E+04 120 paragonite -7.36 -9.47 -2.11 -0.124 0.49757E+04 121 nepheline 2.83 0.28 -2.55 -0.365 0.60182E+04 126 periclase 10.38 5.69 -4.68 -1.171 0.11038E+05 127 periclase-Fe 6.98 2.80 -4.18 -1.045 0.98532E+04 133 phlogopite-Na 14.93 12.93 -1.99 -0.111 0.46983E+04 135 prehnite 5.60 4.61 -0.99 -0.058 0.23265E+04 136 prehnite-Fe 10.28 8.69 -1.60 -0.096 0.37711E+04 137 pumpellyite-Fe 13.18 9.36 -3.82 -0.085 0.89991E+04 138 pumpellyite-Mg 15.21 12.26 -2.96 -0.066 0.69695E+04 140 px-Ca-tschermaks 4.91 0.75 -4.16 -0.297 0.98123E+04 141 pyrite -19.54 -20.45 -0.91 -0.214 0.21412E+04 142 pyrrhotite -5.78 -7.43 -1.65 -0.550 0.38870E+04 143 pyrrhotiteFe0.875 -6.96 -8.13 -1.17 -0.431 0.27631E+04 144 pyroxmangite 4.51 1.18 -3.33 -0.665 0.78406E+04 145 pyrophyllite -11.78 -14.17 -2.38 -0.149 0.56172E+04 151 rhodochrosite -2.60 -6.25 -3.65 -1.215 0.85924E+04 152 rhodonite 4.53 1.18 -3.34 -0.668 0.78787E+04 153 sanidine -3.94 -5.03 -1.09 -0.084 0.25727E+04 155 siderite -4.34 -6.84 -2.49 -0.831 0.58797E+04 156 sillimanite -4.28 -7.53 -3.25 -0.325 0.76640E+04 163 stilbite -10.82 -12.52 -1.70 -0.081 0.39975E+04 165 stilpnomelane-Mg 8.51 7.59 -0.92 -0.027 0.21627E+04 166 stishovite 2.17 -2.21 -4.38 -1.461 0.10330E+05 168 sudoite -0.90 -5.89 -4.99 -0.161 0.11771E+05 169 sulfur -8.75 -13.02 -4.27 -1.313 0.10057E+05 171 talc 8.80 8.24 -0.57 -0.033 0.13324E+04 173 talc-tschermaks 3.82 -0.57 -4.39 -0.258 0.10341E+05 178 topaz-H -3.61 -7.53 -3.92 -0.356 0.92436E+04 179 tridymite -2.02 -2.21 -0.20 -0.065 0.46134E+03 180 tremolite 27.82 27.35 -0.47 -0.013 0.11103E+04 182 troilite-low -5.81 -7.43 -1.62 -0.540 0.38165E+04 183 tschermakite 14.61 9.74 -4.88 -0.132 0.11494E+05 188 wairakite -5.24 -5.88 -0.64 -0.038 0.15081E+04 189 walstromite 7.78 6.07 -1.71 -0.341 0.40241E+04 190 wollastonite 7.04 6.07 -0.96 -0.192 0.22681E+04 191 pseudo-wollastonite 7.36 6.07 -1.28 -0.257 0.30262E+04 192 zoisite 3.81 1.95 -1.86 -0.085 0.43952E+04 193 beidellite-Ca -9.96 -12.95 -2.99 -0.185 0.70472E+04 194 beidellite-H -10.29 -14.32 -4.02 -0.257 0.94783E+04 195 beidellite-K -9.36 -12.91 -3.55 -0.217 0.83711E+04 196 beidellite-Mg -10.20 -13.38 -3.18 -0.197 0.74955E+04 197 beidellite-Na -9.30 -12.62 -3.31 -0.203 0.78110E+04 198 bornite -68.74 -68.91 -0.16 -0.012 0.38348E+03 200 chalcedony -2.07 -2.21 -0.14 -0.045 0.32115E+03 201 chalcocite -20.50 -21.99 -1.48 -0.370 0.34926E+04 202 covellite -15.43 -17.50 -2.07 -0.788 0.48753E+04 204 montmorillonite-Ca -8.25 -10.04 -1.79 -0.111 0.42283E+04 205 montmorillonite-K -7.77 -10.00 -2.23 -0.137 0.52612E+04 206 montmorillonite-Mg -8.51 -10.47 -1.96 -0.121 0.46228E+04 207 montmorillonite-Na -7.63 -9.71 -2.08 -0.127 0.49048E+04 209 nontronite-Ca -1.31 -4.80 -3.49 -0.226 0.82297E+04 210 nontronite-H -1.65 -6.17 -4.52 -0.303 0.10650E+05 211 nontronite-K -0.71 -4.76 -4.05 -0.260 0.95510E+04 212 nontronite-Mg -1.55 -5.23 -3.68 -0.239 0.86850E+04 213 nontronite-Na -0.65 -4.47 -3.82 -0.245 0.89959E+04 229 tobermorite 8.19 4.69 -3.50 -0.956 0.82590E+04 235 alabandite -3.02 -6.84 -3.82 -1.274 0.90097E+04 240 boehmite -0.54 -2.66 -2.12 -0.354 0.49999E+04 242 chalcopyrite -24.43 -24.93 -0.51 -0.094 0.11966E+04 245 copper,native -1.05 -4.48 -3.44 -1.196 0.81058E+04 246 dolomite,disordered -3.40 -5.30 -1.90 -0.317 0.44776E+04 247 ferrous-oxide 5.62 2.80 -2.81 -0.703 0.66309E+04 248 fluorite -11.41 -12.80 -1.39 -0.463 0.32721E+04 249 galena -10.13 -10.43 -0.30 -0.100 0.70827E+03 257 silica-amorphous -1.69 -2.21 -0.52 -0.175 0.12346E+04 260 sphalerite -10.08 -11.18 -1.10 -0.365 0.25832E+04 261 wurtzite -8.76 -11.18 -2.42 -0.807 0.57037E+04 263 an20ab80 -3.07 -3.61 -0.54 -0.042 0.12729E+04 264 an25ab75 -2.90 -3.48 -0.57 -0.044 0.13470E+04 265 an30ab70 -2.73 -3.34 -0.61 -0.047 0.14368E+04 266 tr.625ac.25prg.125 23.71 23.22 -0.49 -0.013 0.11547E+04 271 FeS-amorphous -4.06 -7.43 -3.37 -1.125 0.79553E+04 Calculations done for 242.0000 Deg. C; 35.1682 bar Enthalpies: Pure water 4.5057 kcal/mole H2O,gas 12.0498 kcal/mole CO2,gas 3.2370 kcal/mole CH4,gas 3.1450 kcal/mole Current solution 223.9707 Gas 72.5599 kcal Total current enthalpy 296.5306 kcal Starting enthalpy 296.5306 kcal Temperature changed by -2.000 degrees to 240.000 degrees C. Solids and gases carried ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ Test file for CHIM-XPT. Boil Broadlands Water Water similar to Broadlands Well No. 2 CHIMRUN demo-2a ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ Number of loops used = 14 Loop limit = 200 Temperature = 240.00 C Pressure = 33.92 bar Mixer fraction = 0.0000000 Total current enthalpy = 296.5306 KCAL Water: Moles liquid = 0.4944E+02 kg liquid = 0.8908E+00 Moles total = 0.5551E+02 kg total = 0.1000E+01 Activity = 0.9998 Stoichiometric ionic strength = .4211833E-01 Osmotic coef. = 0.9017 True ionic strength = .3606851E-01 Chg. balance for total moles = 0.2402E-07 Max. difference allowed = 0.3072E-05 Log Log Log Species(n) Molality Molality Activity Activity Gamma Gamma 1 H+ 0.21492E-06 -6.6677 0.15481E-06 -6.8102 0.72033E+00 -0.1425 2 H2O 0.99983E+00 -0.0001 0.99983E+00 -0.0001 3 Cl- 0.33134E-01 -1.4797 0.23532E-01 -1.6284 0.71020E+00 -0.1486 4 SO4-- 0.67905E-07 -7.1681 0.18949E-07 -7.7224 0.27906E+00 -0.5543 5 HCO3- 0.20229E-02 -2.6940 0.14456E-02 -2.8399 0.71462E+00 -0.1459 6 HS- 0.51424E-03 -3.2888 0.36545E-03 -3.4372 0.71067E+00 -0.1483 7 H4SiO4 0.60391E-02 -2.2190 0.60391E-02 -2.2190 0.10000E+01 0.0000 8 Al+++ 0.16450E-21 -21.7838 0.91153E-23 -23.0402 0.55413E-01 -1.2564 9 Ca++ 0.18661E-04 -4.7291 0.50884E-05 -5.2934 0.27267E+00 -0.5644 10 Mg++ 0.47699E-07 -7.3215 0.12780E-07 -7.8935 0.26792E+00 -0.5720 11 Fe++ 0.60202E-10 -10.2204 0.16200E-10 -10.7905 0.26909E+00 -0.5701 12 K+ 0.41422E-02 -2.3828 0.29651E-02 -2.5280 0.71583E+00 -0.1452 13 Na+ 0.31849E-01 -1.4969 0.22628E-01 -1.6454 0.71046E+00 -0.1485 14 Mn++ 0.25133E-09 -9.5998 0.67849E-10 -10.1685 0.26996E+00 -0.5687 15 Zn++ 0.11810E-13 -13.9278 0.31778E-14 -14.4979 0.26909E+00 -0.5701 16 Cu+ 0.28352E-12 -12.5474 0.20139E-12 -12.6960 0.71031E+00 -0.1486 17 Pb++ 0.61302E-13 -13.2125 0.16896E-13 -13.7722 0.27562E+00 -0.5597 18 Hg++ 0.95348E-34 -34.0207 0.26147E-34 -34.5826 0.27422E+00 -0.5619 19 F- 0.25882E-03 -3.5870 0.18170E-03 -3.7407 0.70201E+00 -0.1537 21 HSiO3- 0.53549E-04 -4.2713 0.38030E-04 -4.4199 0.71020E+00 -0.1486 22 Ca(HSiO3)+ 0.13765E-06 -6.8612 0.98616E-07 -7.0061 0.71640E+00 -0.1448 23 Mg(HSiO3)+ 0.24923E-09 -9.6034 0.17855E-09 -9.7482 0.71640E+00 -0.1448 24 NaHSiO3,aq 0.10791E-04 -4.9670 0.10791E-04 -4.9670 0.10000E+01 0.0000 27 HAlO2,aq 0.74601E-08 -8.1273 0.74601E-08 -8.1273 0.10000E+01 0.0000 28 AlO2- 0.24545E-05 -5.6100 0.17263E-05 -5.7629 0.70330E+00 -0.1529 29 CH4,aq 0.35175E-04 -4.4538 0.34733E-04 -4.4593 0.98743E+00 -0.0055 34 CO,aq 0.21585E-07 -7.6659 0.21585E-07 -7.6659 0.10000E+01 0.0000 35 CO2,aq 0.85778E-02 -2.0666 0.84700E-02 -2.0721 0.98743E+00 -0.0055 36 CO3-2 0.56338E-06 -6.2492 0.15605E-06 -6.8067 0.27698E+00 -0.5576 37 CaCO3,aq 0.97237E-06 -6.0122 0.97237E-06 -6.0122 0.10000E+01 0.0000 38 Ca(HCO3)+ 0.79329E-05 -5.1006 0.56832E-05 -5.2454 0.71640E+00 -0.1448 39 CaCl+ 0.90197E-05 -5.0448 0.64618E-05 -5.1896 0.71640E+00 -0.1448 40 CaCl2,aq 0.10911E-06 -6.9621 0.10911E-06 -6.9621 0.10000E+01 0.0000 41 CaF+ 0.71557E-06 -6.1453 0.51264E-06 -6.2902 0.71640E+00 -0.1448 42 CaOH+ 0.24324E-05 -5.6140 0.17426E-05 -5.7588 0.71640E+00 -0.1448 43 CaSO4,aq 0.92566E-09 -9.0335 0.92566E-09 -9.0335 0.10000E+01 0.0000 44 HCl,aq 0.67659E-08 -8.1697 0.67659E-08 -8.1697 0.10000E+01 0.0000 53 CuCl,aq 0.40847E-10 -10.3888 0.40847E-10 -10.3888 0.10000E+01 0.0000 54 CuCl2- 0.28505E-10 -10.5451 0.20244E-10 -10.6937 0.71020E+00 -0.1486 61 HF,aq 0.58096E-05 -5.2359 0.58096E-05 -5.2359 0.10000E+01 0.0000 62 HF2- 0.45414E-09 -9.3428 0.32253E-09 -9.4914 0.71020E+00 -0.1486 64 FeCl+ 0.19093E-10 -10.7191 0.13678E-10 -10.8640 0.71640E+00 -0.1448 69 FeO,aq 0.51841E-09 -9.2853 0.51841E-09 -9.2853 0.10000E+01 0.0000 70 FeOH+ 0.49668E-09 -9.3039 0.35582E-09 -9.4488 0.71640E+00 -0.1448 71 HFeO2- 0.17877E-09 -9.7477 0.12697E-09 -9.8963 0.71020E+00 -0.1486 74 FeO2- 0.16440E-09 -9.7841 0.11675E-09 -9.9327 0.71020E+00 -0.1486 75 HFeO2,aq 0.56331E-10 -10.2493 0.56331E-10 -10.2493 0.10000E+01 0.0000 76 H2,aq 0.61269E-04 -4.2128 0.60499E-04 -4.2183 0.98743E+00 -0.0055 77 Hg,aq 0.14187E-09 -9.8481 0.14009E-09 -9.8536 0.98743E+00 -0.0055 90 KCl,aq 0.28764E-04 -4.5411 0.28764E-04 -4.5411 0.10000E+01 0.0000 92 KOH,aq 0.43797E-06 -6.3586 0.43797E-06 -6.3586 0.10000E+01 0.0000 93 KSO4- 0.16122E-07 -7.7926 0.11450E-07 -7.9412 0.71020E+00 -0.1486 94 MgCO3,aq 0.28346E-09 -9.5475 0.28346E-09 -9.5475 0.10000E+01 0.0000 95 Mg(HCO3)+ 0.18302E-07 -7.7375 0.13111E-07 -7.8824 0.71640E+00 -0.1448 96 MgCl+ 0.11250E-07 -7.9488 0.80598E-08 -8.0937 0.71640E+00 -0.1448 97 MgF+ 0.49525E-08 -8.3052 0.35480E-08 -8.4500 0.71640E+00 -0.1448 98 MgOH+ 0.19268E-07 -7.7152 0.13804E-07 -7.8600 0.71640E+00 -0.1448 101 MnO,aq 0.64445E-10 -10.1908 0.64445E-10 -10.1908 0.10000E+01 0.0000 102 MnOH+ 0.30260E-09 -9.5191 0.21678E-09 -9.6640 0.71640E+00 -0.1448 107 MnCl+ 0.14293E-08 -8.8449 0.10239E-08 -8.9897 0.71640E+00 -0.1448 109 NaCl,aq 0.13161E-02 -2.8807 0.13161E-02 -2.8807 0.10000E+01 0.0000 110 NaF,aq 0.83265E-05 -5.0795 0.83265E-05 -5.0795 0.10000E+01 0.0000 111 NaOH,aq 0.21783E-05 -5.6619 0.21783E-05 -5.6619 0.10000E+01 0.0000 113 OH- 0.61777E-04 -4.2092 0.43448E-04 -4.3620 0.70330E+00 -0.1529 122 PbO,aq 0.15803E-10 -10.8012 0.15803E-10 -10.8012 0.10000E+01 0.0000 124 Pb(HS)2,aq 0.11924E-07 -7.9236 0.11924E-07 -7.9236 0.10000E+01 0.0000 125 Pb(HS)3- 0.21212E-09 -9.6734 0.15065E-09 -9.8220 0.71020E+00 -0.1486 126 H2S,aq 0.75115E-03 -3.1243 0.74171E-03 -3.1298 0.98743E+00 -0.0055 127 S2-2 0.14344E-09 -9.8433 0.39730E-10 -10.4009 0.27698E+00 -0.5576 134 HSO3- 0.17250E-10 -10.7632 0.12251E-10 -10.9118 0.71020E+00 -0.1486 135 HSO4- 0.51154E-09 -9.2911 0.36754E-09 -9.4347 0.71850E+00 -0.1436 154 ZnOH+ 0.11897E-09 -9.9246 0.85227E-10 -10.0694 0.71640E+00 -0.1448 159 AlF3,aq 0.53237E-10 -10.2738 0.53237E-10 -10.2738 0.10000E+01 0.0000 160 AlF4- 0.50278E-10 -10.2986 0.35707E-10 -10.4472 0.71020E+00 -0.1486 164 Cu(HS)2- 0.69875E-07 -7.1557 0.49625E-07 -7.3043 0.71020E+00 -0.1486 166 CuH4S3-b 0.75328E-10 -10.1230 0.53498E-10 -10.2717 0.71020E+00 -0.1486 180 MnCl2,aq 0.76496E-09 -9.1164 0.76496E-09 -9.1164 0.10000E+01 0.0000 181 MnCl3- 0.12821E-09 -9.8921 0.91052E-10 -10.0407 0.71020E+00 -0.1486 182 MnCO3,aq 0.10949E-09 -9.9606 0.10949E-09 -9.9606 0.10000E+01 0.0000 183 NaCO3- 0.30110E-06 -6.5213 0.21384E-06 -6.6699 0.71020E+00 -0.1486 184 NaHCO3,aq 0.64311E-04 -4.1917 0.64311E-04 -4.1917 0.10000E+01 0.0000 185 NaHS,aq 0.16258E-04 -4.7889 0.16258E-04 -4.7889 0.10000E+01 0.0000 186 NaSO4- 0.25825E-07 -7.5880 0.18341E-07 -7.7366 0.71020E+00 -0.1486 187 PbCO3,aq 0.23836E-09 -9.6228 0.23836E-09 -9.6228 0.10000E+01 0.0000 188 PbOH+ 0.61200E-10 -10.2132 0.43844E-10 -10.3581 0.71640E+00 -0.1448 193 Zn(HS)2,aq 0.16742E-07 -7.7762 0.16742E-07 -7.7762 0.10000E+01 0.0000 194 Zn(HS)3- 0.29871E-09 -9.5247 0.21214E-09 -9.6734 0.71020E+00 -0.1486 Charge balance for all species = 0.2697E-07 Component Molality Aq.molality ppm log[A(N)/A(H+)**Z] (total) 1 H+ 0.2149153E-06 0.9176694E-02 0.9219215E+01 0.0000 2 H2O 0.1000000E+01 0.5549978E+02 0.9965652E+06 0.0000 3 Cl- 0.3313373E-01 0.3448785E-01 0.1218687E+04 5.1819 4 SO4-- 0.6790460E-07 -.5038635E-04 -.4824315E+01 5.8980 5 HCO3- 0.2022905E-02 0.1071002E-01 0.6513516E+03 3.9703 6 HS- 0.5142394E-03 0.1332344E-02 0.4391872E+02 3.3730 7 H4SiO4 0.6039104E-02 0.6103581E-02 0.5847237E+03 -2.2190 8 Al+++ 0.1644966E-21 0.2462103E-05 0.6621330E-01 -2.6096 9 Ca++ 0.1866119E-04 0.3998188E-04 0.1597137E+01 8.3270 10 Mg++ 0.4769863E-07 0.1020109E-06 0.2471954E-02 5.7269 11 Fe++ 0.6020204E-10 0.1497714E-08 0.8336843E-04 2.8299 12 K+ 0.4142194E-02 0.4171413E-02 0.1625755E+03 4.2822 13 Na+ 0.3184906E-01 0.3326734E-01 0.7623007E+03 5.1648 14 Mn++ 0.2513300E-09 0.3056816E-08 0.1673845E-03 3.4519 15 Zn++ 0.1180954E-13 0.1717647E-07 0.1119143E-02 -0.8775 16 Cu+ 0.2835240E-12 0.7002398E-07 0.4434728E-02 -5.8858 17 Pb++ 0.6130214E-13 0.1246136E-07 0.2573400E-02 -0.1518 18 Hg++ 0.9534825E-34 0.1426244E-09 0.2851517E-04 -20.9622 19 F- 0.2588230E-03 0.2736809E-03 0.5182333E+01 3.0695 Component Tot moles Aq. moles Solid moles Gas moles 1 H+ 0.1822172E+00 0.8174172E-02 -.4844305E-06 0.1740435E+00 2 H2O 0.5550825E+02 0.4943661E+02 -.4836757E-02 0.6076476E+01 3 Cl- 0.3072017E-01 0.3072017E-01 0.0000000E+00 0.1098414E-08 4 SO4-- -.4257700E-02 -.4488181E-04 0.0000000E+00 -.4212818E-02 5 HCO3- 0.1832100E+00 0.9539986E-02 0.0000000E+00 0.1736700E+00 6 HS- 0.9985820E-02 0.1186790E-02 0.0000000E+00 0.8799030E-02 7 H4SiO4 0.7855346E-02 0.5436786E-02 0.2418560E-02 0.0000000E+00 8 Al+++ 0.2253680E-05 0.2193126E-05 0.6055381E-07 0.0000000E+00 9 Ca++ 0.3561400E-04 0.3561400E-04 0.0000000E+00 0.0000000E+00 10 Mg++ 0.2355503E-06 0.9086659E-07 0.1446837E-06 0.0000000E+00 11 Fe++ 0.8017372E-08 0.1334094E-08 0.6683278E-08 0.0000000E+00 12 K+ 0.3715700E-02 0.3715700E-02 0.0000000E+00 0.0000000E+00 13 Na+ 0.2963300E-01 0.2963300E-01 0.0000000E+00 0.0000000E+00 14 Mn++ 0.2740424E-08 0.2722869E-08 0.1755426E-10 0.0000000E+00 15 Zn++ 0.1530000E-07 0.1530000E-07 0.0000000E+00 0.0000000E+00 16 Cu+ 0.6237410E-07 0.6237410E-07 0.0000000E+00 0.0000000E+00 17 Pb++ 0.1110000E-07 0.1110000E-07 0.0000000E+00 0.0000000E+00 18 Hg++ 0.4000000E-08 0.1270431E-09 0.0000000E+00 0.3872957E-08 19 F- 0.2439100E-03 0.2437822E-03 0.0000000E+00 0.1278271E-06 Chg. balance for solid moles: -.2996E-16 Mass of aqueous solution: 0.893685E+03 g Temperature = 240.00 C Pressure = 33.92 bar Mixer frac. = 0.0000000 Log Log Vol Gas or mineral Moles Moles Grams Grams Wt.% (cm3) H2O,gas 6.239 0.795 112.4 2.051 93.57 6603. CO2,gas 0.1707 -0.768 7.514 0.876 6.257 226.0 CH4,gas 0.2930E-02 -2.533 0.4700E-01 -1.328 0.3914E-01 4.248 H2,gas 0.5128E-02 -2.290 0.1036E-01 -1.985 0.8625E-02 6.534 H2S,gas 0.4586E-02 -2.339 0.1563 -0.806 0.1301 5.480 CO,gas 0.1529E-05 -5.816 0.4282E-04 -4.368 0.3565E-04 0.1923E-02 SO2,gas 0.2071E-12 -12.684 0.1327E-10 -10.877 0.1105E-10 0.2605E-09 HF,gas 0.1278E-06 -6.893 0.2557E-05 -5.592 0.2129E-05 0.1608E-03 HCl,gas 0.1098E-08 -8.959 0.4005E-07 -7.397 0.3335E-07 0.1382E-05 Hg,gas 0.3873E-08 -8.412 0.7769E-06 -6.110 0.6469E-06 0.4871E-05 clinochlore 0.2894E-07 -7.539 0.1608E-04 -4.794 0.1107E-01 0.6118E-05 daphnite 0.1337E-08 -8.874 0.9537E-06 -6.021 0.6563E-03 0.2890E-06 chlorite-Mn 0.3511E-11 -11.455 0.2489E-08 -8.604 0.1713E-05 0.7932E-09 quartz 0.2418E-02 -2.616 0.1453 -0.838 99.99 0.5487E-01 Partial press. Fugacity coef Log fugacity Gas or Mineral Mole fraction or activity Activity coef Log activity H2O,gas 0.9714E+00 0.3295E+02 0.8674 1.456 CO2,gas 0.2658E-01 0.9018E+00 1.0013 -0.044 CH4,gas 0.4563E-03 0.1548E-01 1.1314 -1.757 H2,gas 0.7984E-03 0.2708E-01 1.0132 -1.562 H2S,gas 0.7141E-03 0.2422E-01 0.9499 -1.638 CO,gas 0.2380E-06 0.8074E-05 1.0000 -5.093 SO2,gas 0.3225E-13 0.1094E-11 1.0000 -11.961 HF,gas 0.1990E-07 0.6751E-06 1.0000 -6.171 HCl,gas 0.1710E-09 0.5801E-08 1.0000 -8.236 Hg,gas 0.6030E-09 0.2046E-07 1.0000 -7.689 clinochlore 0.9557E+00 0.9557E+00 1.0000 -0.020 daphnite 0.4415E-01 0.4415E-01 1.0000 -1.355 chlorite-Mn 0.1160E-03 0.1160E-03 1.0000 -3.936 quartz 0.1000E+01 0.1000E+01 1.0000 0.000 Current weight percent of gas: 11.844569 % Solid products produced: Mass = 0.145319 g Volume = 0.054879 cm3 WARNING: mineral volume may be in error because some mineral densities were not supplied in SOLTHERM. See mineral list in file Skip_Species.txt. NON-Ideal mixing with H2O, CO2, CH4 Gases ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ The following gases and minerals are presently in matrix or were just added Gas or Mineral Log K Log Q Log(Q/K) Log(Q/K)/S Affinity Log Fugacity 1 H2O,gas 0.07 0.07 -0.00 -0.000 0.49766E-09 2 CO2,gas -8.08 -8.08 0.00 0.000 -0.16684E-09 3 CH4,gas 4.73 4.73 0.00 0.000 -0.47967E-09 4 H2,gas 5.87 5.87 0.00 0.000 -0.39625E-10 5 H2S,gas -7.08 -7.08 -0.00 -0.000 0.16267E-09 6 CO,gas -0.25 -0.25 -0.00 -0.000 0.10428E-11 7 SO2,gas -5.08 -5.08 0.00 0.000 -0.62566E-11 8 HF,gas -2.85 -2.85 -0.00 -0.000 0.20855E-11 9 HCl,gas 1.33 1.33 -0.00 -0.000 0.72993E-11 10 Hg,gas -8.97 -8.97 0.00 0.000 -0.12513E-10 43 clinochlore 16.86 16.86 0.00 0.000 -0.50053E-10 44 daphnite 9.05 9.05 0.00 0.000 -0.12513E-10 45 chlorite-Mn 25.06 25.06 0.00 0.000 -0.83421E-10 146 quartz -2.22 -2.22 0.00 0.000 0.00000E+00 The following gases and minerals are presently EXCLUDED from matrix (Gases and minerals with log(Q/K) less than -5 are not listed below) Gas or Mineral Log K Log Q Log(Q/K) Log(Q/K)/S Affinity Log Fugacity 11 acmite 5.07 2.17 -2.90 -0.302 0.68148E+04 15 albite-high -3.04 -4.10 -1.06 -0.081 0.24819E+04 16 albite -3.59 -4.10 -0.51 -0.040 0.12088E+04 20 analcite -0.63 -1.88 -1.25 -0.139 0.29327E+04 21 andalusite -4.32 -7.44 -3.11 -0.311 0.73112E+04 22 andradite 24.20 21.21 -2.99 -0.156 0.70295E+04 23 grossular 14.94 13.10 -1.84 -0.092 0.43208E+04 24 anhydrite -8.20 -13.02 -4.82 -2.410 0.11316E+05 25 ankerite -5.74 -8.14 -2.40 -0.401 0.56452E+04 26 annite 8.17 3.51 -4.66 -0.259 0.10949E+05 27 phlogopite 13.52 12.20 -1.33 -0.074 0.31197E+04 29 anorthite 0.38 -1.33 -1.71 -0.131 0.40129E+04 32 aragonite -0.99 -1.32 -0.33 -0.110 0.77798E+03 33 brucite 8.48 5.73 -2.76 -0.551 0.64691E+04 34 calcite -1.14 -1.32 -0.18 -0.060 0.42014E+03 35 carnegieite-low 3.42 0.34 -3.08 -0.440 0.72347E+04 36 carnegieite-high 3.97 0.34 -3.64 -0.520 0.85424E+04 37 carpholite-Mg -1.54 -3.93 -2.39 -0.159 0.56018E+04 38 carpholite-Fe -3.00 -6.83 -3.83 -0.255 0.89879E+04 39 celadonite 0.60 -1.48 -2.08 -0.122 0.48807E+04 40 celadonite-Fe -0.69 -4.37 -3.69 -0.217 0.86555E+04 41 chrysotile 14.91 12.74 -2.16 -0.180 0.50834E+04 46 chlorite-Al-free 29.51 25.49 -4.03 -0.168 0.94557E+04 47 chloritoid-Mg 1.20 -1.71 -2.91 -0.194 0.68370E+04 48 chloritoid-Fe -1.67 -4.61 -2.94 -0.196 0.69093E+04 49 chloritoid-Mn 0.54 -3.99 -4.53 -0.302 0.10636E+05 51 coesite -1.75 -2.22 -0.47 -0.156 0.10983E+04 56 corundum -1.81 -5.22 -3.40 -0.310 0.79944E+04 58 cristobalite -2.00 -2.22 -0.22 -0.074 0.52400E+03 61 cymrite-K -1.55 -4.98 -3.43 -0.286 0.80582E+04 63 diaspore -1.37 -2.61 -1.24 -0.207 0.29098E+04 64 diamond -1.90 -4.10 -2.21 -0.630 0.51790E+04 65 diopside 9.99 9.62 -0.37 -0.037 0.87623E+03 66 hedenbergite 8.43 6.72 -1.71 -0.171 0.40265E+04 67 dolomite,ordered -3.68 -5.25 -1.57 -0.262 0.36885E+04 68 eastonite 7.88 3.47 -4.42 -0.170 0.10368E+05 69 enstatite 9.90 7.02 -2.89 -0.289 0.67792E+04 70 clinoenstatite-HiP 10.71 7.02 -3.69 -0.369 0.86652E+04 71 clinoenstatite 9.84 7.02 -2.82 -0.282 0.66219E+04 72 protoenstatite 10.24 7.02 -3.23 -0.323 0.75819E+04 73 epidote 7.88 6.22 -1.66 -0.080 0.38911E+04 74 clinozoisite 4.00 2.17 -1.83 -0.083 0.42950E+04 75 epidote-Fe 14.22 10.27 -3.95 -0.205 0.92787E+04 76 fayalite 7.43 3.44 -3.99 -0.570 0.93764E+04 77 ferrosilite 5.33 1.22 -4.10 -0.410 0.96378E+04 78 forsterite 12.63 9.23 -3.40 -0.486 0.79803E+04 81 gibbsite -0.02 -2.61 -2.59 -0.370 0.60779E+04 82 glaucophane 8.01 4.54 -3.47 -0.094 0.81481E+04 84 goethite 3.56 1.44 -2.12 -0.459 0.49830E+04 85 graphite -2.28 -4.10 -1.82 -0.521 0.42831E+04 86 greenalite 9.00 4.05 -4.95 -0.413 0.11627E+05 88 halite 1.00 -3.27 -4.27 -2.137 0.10037E+05 89 hematite 6.27 2.89 -3.39 -0.411 0.79521E+04 90 heulandite -11.74 -12.43 -0.68 -0.031 0.16069E+04 94 jadeite 0.26 -1.88 -2.14 -0.214 0.50257E+04 96 kalsilite 2.55 -0.55 -3.10 -0.442 0.72715E+04 97 kaolinite -7.46 -9.66 -2.20 -0.200 0.51681E+04 98 kyanite -4.28 -7.44 -3.16 -0.316 0.74141E+04 100 laumontite -4.81 -5.77 -0.96 -0.064 0.22449E+04 101 lawsonite 0.14 -1.33 -1.47 -0.098 0.34576E+04 102 leucite -0.28 -2.77 -2.48 -0.248 0.58266E+04 104 lizardite 14.62 12.74 -1.88 -0.157 0.44181E+04 105 magnesite -1.87 -3.92 -2.06 -0.685 0.48279E+04 106 magnetite 10.32 5.72 -4.60 -0.375 0.10800E+05 107 minnesotaite 4.11 -0.39 -4.50 -0.265 0.10561E+05 108 minnesotaite-Mg 11.80 8.30 -3.50 -0.206 0.82162E+04 112 margarite -3.15 -6.55 -3.40 -0.136 0.79755E+04 115 microcline -4.78 -4.98 -0.20 -0.015 0.46842E+03 116 monticellite 15.86 11.83 -4.02 -0.575 0.94509E+04 118 mullite-Si -2.80 -7.44 -4.63 -0.463 0.10881E+05 119 muscovite -8.22 -10.20 -1.98 -0.117 0.46510E+04 120 paragonite -7.22 -9.32 -2.10 -0.123 0.49233E+04 121 nepheline 2.89 0.34 -2.55 -0.365 0.59950E+04 126 periclase 10.44 5.73 -4.71 -1.177 0.11059E+05 127 periclase-Fe 7.03 2.83 -4.20 -1.051 0.98686E+04 133 phlogopite-Na 15.09 13.08 -2.01 -0.112 0.47145E+04 135 prehnite 5.76 4.78 -0.98 -0.058 0.22958E+04 136 prehnite-Fe 10.42 8.83 -1.59 -0.096 0.37395E+04 137 pumpellyite-Fe 13.56 9.78 -3.78 -0.084 0.88859E+04 138 pumpellyite-Mg 15.60 12.67 -2.92 -0.065 0.68648E+04 140 px-Ca-tschermaks 5.07 0.89 -4.18 -0.298 0.98110E+04 141 pyrite -19.53 -20.44 -0.90 -0.213 0.21225E+04 142 pyrrhotite -5.76 -7.42 -1.66 -0.554 0.39021E+04 143 pyrrhotiteFe0.875 -6.93 -8.12 -1.18 -0.435 0.27742E+04 144 pyroxmangite 4.54 1.23 -3.31 -0.662 0.77668E+04 145 pyrophyllite -11.72 -14.10 -2.38 -0.149 0.55875E+04 151 rhodochrosite -2.57 -6.20 -3.62 -1.208 0.85099E+04 152 rhodonite 4.56 1.23 -3.32 -0.665 0.78054E+04 153 sanidine -3.90 -4.98 -1.08 -0.083 0.25350E+04 155 siderite -4.31 -6.82 -2.51 -0.835 0.58838E+04 156 sillimanite -4.17 -7.44 -3.27 -0.327 0.76666E+04 163 stilbite -10.78 -12.43 -1.65 -0.078 0.38678E+04 165 stilpnomelane-Mg 8.72 7.80 -0.91 -0.027 0.21409E+04 166 stishovite 2.18 -2.22 -4.40 -1.465 0.10322E+05 168 sudoite -0.65 -5.64 -4.99 -0.161 0.11729E+05 169 sulfur -8.74 -13.02 -4.28 -1.316 0.10046E+05 171 talc 8.89 8.30 -0.58 -0.034 0.13622E+04 173 talc-tschermaks 3.99 -0.42 -4.41 -0.259 0.10358E+05 178 topaz-H -3.52 -7.44 -3.92 -0.356 0.92066E+04 179 tridymite -2.02 -2.22 -0.20 -0.066 0.46361E+03 180 tremolite 28.04 27.54 -0.50 -0.014 0.11742E+04 182 troilite-low -5.79 -7.42 -1.63 -0.544 0.38289E+04 183 tschermakite 14.99 10.08 -4.91 -0.133 0.11522E+05 188 wairakite -5.14 -5.77 -0.63 -0.037 0.14824E+04 189 walstromite 7.82 6.11 -1.71 -0.343 0.40212E+04 190 wollastonite 7.07 6.11 -0.96 -0.193 0.22648E+04 191 pseudo-wollastonite 7.40 6.11 -1.29 -0.258 0.30252E+04 192 zoisite 4.03 2.17 -1.86 -0.085 0.43762E+04 193 beidellite-Ca -9.86 -12.85 -2.99 -0.185 0.70193E+04 194 beidellite-H -10.20 -14.22 -4.02 -0.257 0.94478E+04 195 beidellite-K -9.26 -12.81 -3.55 -0.217 0.83295E+04 196 beidellite-Mg -10.10 -13.28 -3.18 -0.197 0.74717E+04 197 beidellite-Na -9.21 -12.52 -3.31 -0.203 0.77735E+04 198 bornite -68.91 -68.98 -0.07 -0.005 0.16322E+03 200 chalcedony -2.08 -2.22 -0.14 -0.046 0.32122E+03 201 chalcocite -20.57 -22.02 -1.45 -0.362 0.33996E+04 202 covellite -15.47 -17.52 -2.05 -0.781 0.48151E+04 204 montmorillonite-Ca -8.18 -9.97 -1.79 -0.111 0.42076E+04 205 montmorillonite-K -7.70 -9.93 -2.23 -0.136 0.52300E+04 206 montmorillonite-Mg -8.44 -10.40 -1.96 -0.121 0.46055E+04 207 montmorillonite-Na -7.56 -9.64 -2.08 -0.127 0.48742E+04 209 nontronite-Ca -1.26 -4.74 -3.49 -0.226 0.81914E+04 210 nontronite-H -1.60 -6.12 -4.52 -0.303 0.10609E+05 211 nontronite-K -0.66 -4.71 -4.05 -0.260 0.94990E+04 212 nontronite-Mg -1.49 -5.17 -3.68 -0.239 0.86509E+04 213 nontronite-Na -0.60 -4.41 -3.81 -0.245 0.89480E+04 229 tobermorite 8.21 4.72 -3.49 -0.953 0.82023E+04 235 alabandite -2.99 -6.80 -3.81 -1.270 0.89439E+04 240 boehmite -0.48 -2.61 -2.13 -0.354 0.49899E+04 242 chalcopyrite -24.45 -24.94 -0.49 -0.091 0.11523E+04 245 copper,native -1.07 -4.50 -3.43 -1.193 0.80563E+04 246 dolomite,disordered -3.33 -5.25 -1.91 -0.319 0.44895E+04 247 ferrous-oxide 5.66 2.83 -2.83 -0.708 0.66479E+04 248 fluorite -11.38 -12.77 -1.40 -0.466 0.32825E+04 249 galena -10.14 -10.40 -0.26 -0.086 0.60521E+03 257 silica-amorphous -1.69 -2.22 -0.53 -0.176 0.12397E+04 260 sphalerite -10.07 -11.12 -1.05 -0.350 0.24668E+04 261 wurtzite -8.75 -11.12 -2.38 -0.793 0.55876E+04 263 an20ab80 -3.01 -3.55 -0.54 -0.041 0.12596E+04 264 an25ab75 -2.84 -3.41 -0.57 -0.044 0.13356E+04 265 an30ab70 -2.66 -3.27 -0.61 -0.047 0.14271E+04 266 tr.625ac.25prg.125 23.95 23.42 -0.52 -0.014 0.12310E+04 271 FeS-amorphous -4.04 -7.42 -3.38 -1.125 0.79258E+04 Calculations done for 240.0000 Deg. C; 33.9211 bar Enthalpies: Pure water 4.4650 kcal/mole H2O,gas 12.0545 kcal/mole CO2,gas 3.1884 kcal/mole CH4,gas 3.0959 kcal/mole Current solution 220.7669 Gas 75.7636 kcal Total current enthalpy 296.5306 kcal Starting enthalpy 296.5306 kcal Temperature changed by -2.000 degrees to 238.000 degrees C. Solids and gases carried ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ Test file for CHIM-XPT. Boil Broadlands Water Water similar to Broadlands Well No. 2 CHIMRUN demo-2a ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ Number of loops used = 14 Loop limit = 200 Temperature = 238.00 C Pressure = 32.71 bar Mixer fraction = 0.0000000 Total current enthalpy = 296.5306 KCAL Water: Moles liquid = 0.4918E+02 kg liquid = 0.8861E+00 Moles total = 0.5551E+02 kg total = 0.1000E+01 Activity = 0.9998 Stoichiometric ionic strength = .4195984E-01 Osmotic coef. = 0.9026 True ionic strength = .3629730E-01 Chg. balance for total moles = 0.2402E-07 Max. difference allowed = 0.3072E-05 Log Log Log Species(n) Molality Molality Activity Activity Gamma Gamma 1 H+ 0.20820E-06 -6.6815 0.15023E-06 -6.8232 0.72156E+00 -0.1417 2 H2O 0.99984E+00 -0.0001 0.99984E+00 -0.0001 3 Cl- 0.33345E-01 -1.4770 0.23725E-01 -1.6248 0.71148E+00 -0.1478 4 SO4-- 0.75194E-07 -7.1238 0.21125E-07 -7.6752 0.28093E+00 -0.5514 5 HCO3- 0.20339E-02 -2.6917 0.14560E-02 -2.8368 0.71588E+00 -0.1452 6 HS- 0.51456E-03 -3.2886 0.36634E-03 -3.4361 0.71195E+00 -0.1475 7 H4SiO4 0.59265E-02 -2.2272 0.59265E-02 -2.2272 0.10000E+01 0.0000 8 Al+++ 0.16726E-21 -21.7766 0.94111E-23 -23.0264 0.56266E-01 -1.2498 9 Ca++ 0.19217E-04 -4.7163 0.52758E-05 -5.2777 0.27454E+00 -0.5614 10 Mg++ 0.48161E-07 -7.3173 0.12993E-07 -7.8863 0.26979E+00 -0.5690 11 Fe++ 0.59978E-10 -10.2220 0.16251E-10 -10.7891 0.27096E+00 -0.5671 12 K+ 0.41652E-02 -2.3804 0.29868E-02 -2.5248 0.71708E+00 -0.1444 13 Na+ 0.32054E-01 -1.4941 0.22814E-01 -1.6418 0.71174E+00 -0.1477 14 Mn++ 0.26771E-09 -9.5723 0.72770E-10 -10.1381 0.27183E+00 -0.5657 15 Zn++ 0.12838E-13 -13.8915 0.34785E-14 -14.4586 0.27096E+00 -0.5671 16 Cu+ 0.26786E-12 -12.5721 0.19060E-12 -12.7199 0.71159E+00 -0.1478 17 Pb++ 0.63603E-13 -13.1965 0.17649E-13 -13.7533 0.27749E+00 -0.5568 18 Hg++ 0.78793E-34 -34.1035 0.21754E-34 -34.6625 0.27609E+00 -0.5589 19 F- 0.26089E-03 -3.5835 0.18350E-03 -3.7364 0.70335E+00 -0.1528 21 HSiO3- 0.55228E-04 -4.2578 0.39294E-04 -4.4057 0.71148E+00 -0.1478 22 Ca(HSiO3)+ 0.13894E-06 -6.8572 0.99709E-07 -7.0013 0.71765E+00 -0.1441 23 Mg(HSiO3)+ 0.24850E-09 -9.6047 0.17834E-09 -9.7488 0.71765E+00 -0.1441 24 NaHSiO3,aq 0.11078E-04 -4.9556 0.11078E-04 -4.9556 0.10000E+01 0.0000 27 HAlO2,aq 0.74644E-08 -8.1270 0.74644E-08 -8.1270 0.10000E+01 0.0000 28 AlO2- 0.24669E-05 -5.6079 0.17382E-05 -5.7599 0.70463E+00 -0.1520 29 CH4,aq 0.31585E-04 -4.5005 0.31189E-04 -4.5060 0.98745E+00 -0.0055 34 CO,aq 0.18346E-07 -7.7364 0.18346E-07 -7.7364 0.10000E+01 0.0000 35 CO2,aq 0.79093E-02 -2.1019 0.78101E-02 -2.1073 0.98745E+00 -0.0055 36 CO3-2 0.60544E-06 -6.2179 0.16883E-06 -6.7725 0.27886E+00 -0.5546 37 CaCO3,aq 0.10002E-05 -5.9999 0.10002E-05 -5.9999 0.10000E+01 0.0000 38 Ca(HCO3)+ 0.77681E-05 -5.1097 0.55748E-05 -5.2538 0.71765E+00 -0.1441 39 CaCl+ 0.88445E-05 -5.0533 0.63473E-05 -5.1974 0.71765E+00 -0.1441 40 CaCl2,aq 0.10453E-06 -6.9808 0.10453E-06 -6.9808 0.10000E+01 0.0000 41 CaF+ 0.70091E-06 -6.1543 0.50301E-06 -6.2984 0.71765E+00 -0.1441 42 CaOH+ 0.24181E-05 -5.6165 0.17354E-05 -5.7606 0.71765E+00 -0.1441 43 CaSO4,aq 0.99583E-09 -9.0018 0.99583E-09 -9.0018 0.10000E+01 0.0000 44 HCl,aq 0.62732E-08 -8.2025 0.62732E-08 -8.2025 0.10000E+01 0.0000 53 CuCl,aq 0.38229E-10 -10.4176 0.38229E-10 -10.4176 0.10000E+01 0.0000 54 CuCl2- 0.26738E-10 -10.5729 0.19023E-10 -10.7207 0.71148E+00 -0.1478 61 HF,aq 0.53873E-05 -5.2686 0.53873E-05 -5.2686 0.10000E+01 0.0000 62 HF2- 0.42595E-09 -9.3706 0.30305E-09 -9.5185 0.71148E+00 -0.1478 64 FeCl+ 0.18198E-10 -10.7400 0.13060E-10 -10.8841 0.71765E+00 -0.1441 69 FeO,aq 0.49594E-09 -9.3046 0.49594E-09 -9.3046 0.10000E+01 0.0000 70 FeOH+ 0.48674E-09 -9.3127 0.34931E-09 -9.4568 0.71765E+00 -0.1441 71 HFeO2- 0.17593E-09 -9.7547 0.12517E-09 -9.9025 0.71148E+00 -0.1478 74 FeO2- 0.16066E-09 -9.7941 0.11431E-09 -9.9419 0.71148E+00 -0.1478 75 HFeO2,aq 0.55223E-10 -10.2579 0.55223E-10 -10.2579 0.10000E+01 0.0000 76 H2,aq 0.56640E-04 -4.2469 0.55929E-04 -4.2524 0.98745E+00 -0.0055 77 Hg,aq 0.12869E-09 -9.8905 0.12708E-09 -9.8959 0.98745E+00 -0.0055 90 KCl,aq 0.27830E-04 -4.5555 0.27830E-04 -4.5555 0.10000E+01 0.0000 92 KOH,aq 0.43940E-06 -6.3571 0.43940E-06 -6.3571 0.10000E+01 0.0000 93 KSO4- 0.17204E-07 -7.7644 0.12240E-07 -7.9122 0.71148E+00 -0.1478 94 MgCO3,aq 0.28844E-09 -9.5399 0.28844E-09 -9.5399 0.10000E+01 0.0000 95 Mg(HCO3)+ 0.17622E-07 -7.7539 0.12647E-07 -7.8980 0.71765E+00 -0.1441 96 MgCl+ 0.10900E-07 -7.9626 0.78221E-08 -8.1067 0.71765E+00 -0.1441 97 MgF+ 0.47735E-08 -8.3212 0.34257E-08 -8.4653 0.71765E+00 -0.1441 98 MgOH+ 0.18849E-07 -7.7247 0.13527E-07 -7.8688 0.71765E+00 -0.1441 101 MnO,aq 0.66036E-10 -10.1802 0.66036E-10 -10.1802 0.10000E+01 0.0000 102 MnOH+ 0.31594E-09 -9.5004 0.22674E-09 -9.6445 0.71765E+00 -0.1441 107 MnCl+ 0.14310E-08 -8.8444 0.10269E-08 -8.9885 0.71765E+00 -0.1441 109 NaCl,aq 0.12879E-02 -2.8901 0.12879E-02 -2.8901 0.10000E+01 0.0000 110 NaF,aq 0.81453E-05 -5.0891 0.81453E-05 -5.0891 0.10000E+01 0.0000 111 NaOH,aq 0.21942E-05 -5.6587 0.21942E-05 -5.6587 0.10000E+01 0.0000 113 OH- 0.63231E-04 -4.1991 0.44555E-04 -4.3511 0.70463E+00 -0.1520 122 PbO,aq 0.16380E-10 -10.7857 0.16380E-10 -10.7857 0.10000E+01 0.0000 124 Pb(HS)2,aq 0.11967E-07 -7.9220 0.11967E-07 -7.9220 0.10000E+01 0.0000 125 Pb(HS)3- 0.20833E-09 -9.6813 0.14822E-09 -9.8291 0.71148E+00 -0.1478 126 H2S,aq 0.70001E-03 -3.1549 0.69123E-03 -3.1604 0.98745E+00 -0.0055 127 S2-2 0.14276E-09 -9.8454 0.39810E-10 -10.4000 0.27886E+00 -0.5546 134 HSO3- 0.16525E-10 -10.7819 0.11757E-10 -10.9297 0.71148E+00 -0.1478 135 HSO4- 0.51243E-09 -9.2904 0.36882E-09 -9.4332 0.71974E+00 -0.1428 154 ZnOH+ 0.12481E-09 -9.9038 0.89569E-10 -10.0478 0.71765E+00 -0.1441 159 AlF3,aq 0.40903E-10 -10.3882 0.40903E-10 -10.3882 0.10000E+01 0.0000 160 AlF4- 0.37037E-10 -10.4314 0.26351E-10 -10.5792 0.71148E+00 -0.1478 164 Cu(HS)2- 0.70245E-07 -7.1534 0.49978E-07 -7.3012 0.71148E+00 -0.1478 166 CuH4S3-b 0.80532E-10 -10.0940 0.57297E-10 -10.2419 0.71148E+00 -0.1478 180 MnCl2,aq 0.73719E-09 -9.1324 0.73719E-09 -9.1324 0.10000E+01 0.0000 181 MnCl3- 0.12386E-09 -9.9071 0.88125E-10 -10.0549 0.71148E+00 -0.1478 182 MnCO3,aq 0.12329E-09 -9.9091 0.12329E-09 -9.9091 0.10000E+01 0.0000 183 NaCO3- 0.32325E-06 -6.4905 0.22999E-06 -6.6383 0.71148E+00 -0.1478 184 NaHCO3,aq 0.63843E-04 -4.1949 0.63843E-04 -4.1949 0.10000E+01 0.0000 185 NaHS,aq 0.16063E-04 -4.7942 0.16063E-04 -4.7942 0.10000E+01 0.0000 186 NaSO4- 0.27976E-07 -7.5532 0.19905E-07 -7.7010 0.71148E+00 -0.1478 187 PbCO3,aq 0.26244E-09 -9.5810 0.26244E-09 -9.5810 0.10000E+01 0.0000 188 PbOH+ 0.62919E-10 -10.2012 0.45154E-10 -10.3453 0.71765E+00 -0.1441 193 Zn(HS)2,aq 0.16819E-07 -7.7742 0.16819E-07 -7.7742 0.10000E+01 0.0000 194 Zn(HS)3- 0.30585E-09 -9.5145 0.21761E-09 -9.6623 0.71148E+00 -0.1478 Charge balance for all species = 0.2711E-07 Component Molality Aq.molality ppm log[A(N)/A(H+)**Z] (total) 1 H+ 0.2082000E-06 0.8454240E-02 0.8493666E+01 0.0000 2 H2O 0.1000000E+01 0.5550044E+02 0.9966067E+06 0.0000 3 Cl- 0.3334526E-01 0.3467005E-01 0.1225162E+04 5.1984 4 SO4-- 0.7519416E-07 -.4562773E-04 -.4368824E+01 5.9713 5 HCO3- 0.2033905E-02 0.1004841E-01 0.6111325E+03 3.9864 6 HS- 0.5145556E-03 0.1276581E-02 0.4208185E+02 3.3871 7 H4SiO4 0.5926478E-02 0.5992923E-02 0.5741397E+03 -2.2272 8 Al+++ 0.1672598E-21 0.2474410E-05 0.6654625E-01 -2.5566 9 Ca++ 0.1921681E-04 0.4019311E-04 0.1605623E+01 8.3688 10 Mg++ 0.4816075E-07 0.1008492E-06 0.2443876E-02 5.7602 11 Fe++ 0.5997786E-10 0.1456281E-08 0.8106452E-04 2.8574 12 K+ 0.4165164E-02 0.4193451E-02 0.1634393E+03 4.2984 13 Na+ 0.3205354E-01 0.3344310E-01 0.7663508E+03 5.1814 14 Mn++ 0.2677059E-09 0.3071629E-08 0.1682006E-03 3.5084 15 Zn++ 0.1283768E-13 0.1726722E-07 0.1125089E-02 -0.8121 16 Cu+ 0.2678568E-12 0.7039393E-07 0.4458290E-02 -5.8966 17 Pb++ 0.6360265E-13 0.1252720E-07 0.2587072E-02 -0.1068 18 Hg++ 0.7879270E-34 0.1293944E-09 0.2587084E-04 -21.0160 19 F- 0.2608927E-03 0.2751321E-03 0.5209968E+01 3.0869 Component Tot moles Aq. moles Solid moles Gas moles 1 H+ 0.1822172E+00 0.7491067E-02 -.4893963E-06 0.1747266E+00 2 H2O 0.5550825E+02 0.4917739E+02 -.5090000E-02 0.6335952E+01 3 Cl- 0.3072017E-01 0.3072017E-01 0.0000000E+00 0.1041571E-08 4 SO4-- -.4257700E-02 -.4042946E-04 0.0000000E+00 -.4217271E-02 5 HCO3- 0.1832100E+00 0.8903613E-02 0.0000000E+00 0.1743064E+00 6 HS- 0.9985820E-02 0.1131143E-02 0.0000000E+00 0.8854677E-02 7 H4SiO4 0.7855346E-02 0.5310162E-02 0.2545183E-02 0.0000000E+00 8 Al+++ 0.2253680E-05 0.2192506E-05 0.6117453E-07 0.0000000E+00 9 Ca++ 0.3561400E-04 0.3561400E-04 0.0000000E+00 0.0000000E+00 10 Mg++ 0.2355503E-06 0.8935969E-07 0.1461906E-06 0.0000000E+00 11 Fe++ 0.8017372E-08 0.1290370E-08 0.6727002E-08 0.0000000E+00 12 K+ 0.3715700E-02 0.3715700E-02 0.0000000E+00 0.0000000E+00 13 Na+ 0.2963300E-01 0.2963300E-01 0.0000000E+00 0.0000000E+00 14 Mn++ 0.2740424E-08 0.2721685E-08 0.1873858E-10 0.0000000E+00 15 Zn++ 0.1530000E-07 0.1530000E-07 0.0000000E+00 0.0000000E+00 16 Cu+ 0.6237410E-07 0.6237410E-07 0.0000000E+00 0.0000000E+00 17 Pb++ 0.1110000E-07 0.1110000E-07 0.0000000E+00 0.0000000E+00 18 Hg++ 0.4000000E-08 0.1146528E-09 0.0000000E+00 0.3885347E-08 19 F- 0.2439100E-03 0.2437869E-03 0.0000000E+00 0.1230976E-06 Chg. balance for solid moles: 0.6744E-17 Mass of aqueous solution: 0.888962E+03 g Temperature = 238.00 C Pressure = 32.71 bar Mixer frac. = 0.0000000 Log Log Vol Gas or mineral Moles Moles Grams Grams Wt.% (cm3) H2O,gas 6.499 0.813 117.1 2.068 93.78 7138. CO2,gas 0.1714 -0.766 7.543 0.878 6.044 234.1 CH4,gas 0.2913E-02 -2.536 0.4673E-01 -1.330 0.3744E-01 4.348 H2,gas 0.5215E-02 -2.283 0.1053E-01 -1.977 0.8441E-02 6.862 H2S,gas 0.4637E-02 -2.334 0.1580 -0.801 0.1266 5.730 CO,gas 0.1442E-05 -5.841 0.4038E-04 -4.394 0.3235E-04 0.1873E-02 SO2,gas 0.1934E-12 -12.714 0.1239E-10 -10.907 0.9926E-11 0.2513E-09 HF,gas 0.1231E-06 -6.910 0.2462E-05 -5.609 0.1973E-05 0.1599E-03 HCl,gas 0.1042E-08 -8.982 0.3798E-07 -7.420 0.3043E-07 0.1353E-05 Hg,gas 0.3885E-08 -8.411 0.7794E-06 -6.108 0.6244E-06 0.5048E-05 clinochlore 0.2924E-07 -7.534 0.1625E-04 -4.789 0.1063E-01 0.6182E-05 daphnite 0.1345E-08 -8.871 0.9600E-06 -6.018 0.6277E-03 0.2909E-06 chlorite-Mn 0.3748E-11 -11.426 0.2657E-08 -8.576 0.1737E-05 0.8467E-09 quartz 0.2545E-02 -2.594 0.1529 -0.816 99.99 0.5775E-01 Partial press. Fugacity coef Log fugacity Gas or Mineral Mole fraction or activity Activity coef Log activity H2O,gas 0.9724E+00 0.3181E+02 0.8700 1.442 CO2,gas 0.2564E-01 0.8388E+00 1.0026 -0.075 CH4,gas 0.4359E-03 0.1426E-01 1.1287 -1.793 H2,gas 0.7803E-03 0.2553E-01 1.0128 -1.588 H2S,gas 0.6939E-03 0.2270E-01 0.9510 -1.666 CO,gas 0.2157E-06 0.7056E-05 1.0000 -5.151 SO2,gas 0.2894E-13 0.9465E-12 1.0000 -12.024 HF,gas 0.1842E-07 0.6025E-06 1.0000 -6.220 HCl,gas 0.1558E-09 0.5098E-08 1.0000 -8.293 Hg,gas 0.5813E-09 0.1902E-07 1.0000 -7.721 clinochlore 0.9559E+00 0.9559E+00 1.0000 -0.020 daphnite 0.4399E-01 0.4399E-01 1.0000 -1.357 chlorite-Mn 0.1225E-03 0.1225E-03 1.0000 -3.912 quartz 0.1000E+01 0.1000E+01 1.0000 0.000 Current weight percent of gas: 12.309521 % Solid products produced: Mass = 0.152926 g Volume = 0.057752 cm3 WARNING: mineral volume may be in error because some mineral densities were not supplied in SOLTHERM. See mineral list in file Skip_Species.txt. NON-Ideal mixing with H2O, CO2, CH4 Gases ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ The following gases and minerals are presently in matrix or were just added Gas or Mineral Log K Log Q Log(Q/K) Log(Q/K)/S Affinity Log Fugacity 1 H2O,gas 0.07 0.07 -0.00 -0.000 0.36640E-09 2 CO2,gas -8.07 -8.07 0.00 0.000 -0.12049E-09 3 CH4,gas 4.71 4.71 0.00 0.000 -0.35316E-09 4 H2,gas 5.87 5.87 0.00 0.000 -0.33238E-10 5 H2S,gas -7.08 -7.08 -0.00 -0.000 0.12049E-09 6 CO,gas -0.23 -0.23 -0.00 -0.000 0.25967E-11 7 SO2,gas -5.02 -5.02 -0.00 -0.000 0.20774E-11 8 HF,gas -2.82 -2.82 -0.00 -0.000 0.20774E-11 9 HCl,gas 1.36 1.36 -0.00 -0.000 0.15580E-11 10 Hg,gas -9.01 -9.01 0.00 0.000 -0.41548E-11 43 clinochlore 17.10 17.10 0.00 0.000 -0.41548E-10 44 daphnite 9.28 9.28 -0.00 -0.000 0.83096E-11 45 chlorite-Mn 25.31 25.31 0.00 0.000 0.00000E+00 146 quartz -2.23 -2.23 0.00 0.000 0.00000E+00 198 bornite -69.07 -69.05 0.03 0.002 -0.58989E+02 The following gases and minerals are presently EXCLUDED from matrix (Gases and minerals with log(Q/K) less than -5 are not listed below) Gas or Mineral Log K Log Q Log(Q/K) Log(Q/K)/S Affinity Log Fugacity 11 acmite 5.10 2.20 -2.90 -0.301 0.67830E+04 15 albite-high -3.00 -4.06 -1.06 -0.081 0.24680E+04 16 albite -3.55 -4.06 -0.51 -0.039 0.11869E+04 20 analcite -0.59 -1.83 -1.24 -0.138 0.29018E+04 21 andalusite -4.22 -7.34 -3.12 -0.312 0.73085E+04 22 andradite 24.37 21.37 -3.00 -0.156 0.70108E+04 23 grossular 15.15 13.31 -1.84 -0.092 0.42972E+04 24 anhydrite -8.15 -12.95 -4.81 -2.403 0.11242E+05 25 ankerite -5.68 -8.09 -2.41 -0.402 0.56431E+04 26 annite 8.30 3.63 -4.67 -0.260 0.10927E+05 27 phlogopite 13.68 12.34 -1.33 -0.074 0.31221E+04 29 anorthite 0.52 -1.20 -1.72 -0.132 0.40226E+04 32 aragonite -0.96 -1.29 -0.33 -0.110 0.77195E+03 33 brucite 8.53 5.76 -2.77 -0.553 0.64680E+04 34 calcite -1.11 -1.29 -0.18 -0.059 0.41531E+03 35 carnegieite-low 3.48 0.40 -3.08 -0.440 0.72105E+04 36 carnegieite-high 4.04 0.40 -3.64 -0.521 0.85251E+04 37 carpholite-Mg -1.43 -3.81 -2.38 -0.159 0.55663E+04 38 carpholite-Fe -2.89 -6.71 -3.82 -0.255 0.89441E+04 39 celadonite 0.66 -1.41 -2.06 -0.121 0.48291E+04 40 celadonite-Fe -0.63 -4.31 -3.68 -0.216 0.85995E+04 41 chrysotile 15.00 12.83 -2.18 -0.182 0.50951E+04 46 chlorite-Al-free 29.70 25.65 -4.05 -0.169 0.94729E+04 47 chloritoid-Mg 1.34 -1.58 -2.92 -0.195 0.68250E+04 48 chloritoid-Fe -1.54 -4.48 -2.94 -0.196 0.68834E+04 49 chloritoid-Mn 0.67 -3.83 -4.50 -0.300 0.10528E+05 51 coesite -1.76 -2.23 -0.47 -0.156 0.10978E+04 56 corundum -1.70 -5.11 -3.42 -0.311 0.79915E+04 58 cristobalite -2.00 -2.23 -0.23 -0.075 0.52680E+03 61 cymrite-K -1.51 -4.94 -3.43 -0.285 0.80120E+04 63 diaspore -1.32 -2.56 -1.24 -0.206 0.28905E+04 64 diamond -1.91 -4.13 -2.22 -0.635 0.52002E+04 65 diopside 10.06 9.67 -0.38 -0.038 0.89571E+03 66 hedenbergite 8.50 6.77 -1.73 -0.173 0.40385E+04 67 dolomite,ordered -3.61 -5.19 -1.58 -0.263 0.36943E+04 68 eastonite 8.12 3.69 -4.42 -0.170 0.10348E+05 69 enstatite 9.98 7.07 -2.92 -0.292 0.68229E+04 70 clinoenstatite-HiP 10.79 7.07 -3.72 -0.372 0.87084E+04 71 clinoenstatite 9.92 7.07 -2.85 -0.285 0.66653E+04 72 protoenstatite 10.33 7.07 -3.26 -0.326 0.76276E+04 73 epidote 8.07 6.42 -1.65 -0.080 0.38702E+04 74 clinozoisite 4.21 2.39 -1.83 -0.083 0.42767E+04 75 epidote-Fe 14.40 10.45 -3.96 -0.205 0.92520E+04 76 fayalite 7.51 3.49 -4.02 -0.574 0.94025E+04 77 ferrosilite 5.39 1.26 -4.13 -0.413 0.96625E+04 78 forsterite 12.72 9.29 -3.43 -0.490 0.80249E+04 81 gibbsite 0.03 -2.56 -2.58 -0.369 0.60399E+04 82 glaucophane 8.18 4.71 -3.47 -0.094 0.81057E+04 84 goethite 3.60 1.47 -2.12 -0.459 0.49662E+04 85 graphite -2.29 -4.13 -1.84 -0.526 0.43065E+04 86 greenalite 9.08 4.12 -4.97 -0.414 0.11613E+05 88 halite 1.01 -3.27 -4.28 -2.141 0.10013E+05 89 hematite 6.34 2.95 -3.40 -0.412 0.79426E+04 90 heulandite -11.67 -12.33 -0.66 -0.030 0.15524E+04 94 jadeite 0.30 -1.83 -2.13 -0.213 0.49891E+04 96 kalsilite 2.61 -0.49 -3.09 -0.442 0.72360E+04 97 kaolinite -7.38 -9.57 -2.18 -0.199 0.51078E+04 98 kyanite -4.17 -7.34 -3.17 -0.317 0.74072E+04 100 laumontite -4.72 -5.65 -0.93 -0.062 0.21789E+04 101 lawsonite 0.25 -1.20 -1.45 -0.097 0.33960E+04 102 leucite -0.23 -2.71 -2.48 -0.248 0.57995E+04 104 lizardite 14.72 12.83 -1.89 -0.158 0.44227E+04 105 magnesite -1.83 -3.90 -2.07 -0.690 0.48394E+04 106 magnetite 10.43 5.81 -4.62 -0.377 0.10805E+05 107 minnesotaite 4.18 -0.34 -4.52 -0.266 0.10569E+05 108 minnesotaite-Mg 11.90 8.37 -3.53 -0.208 0.82507E+04 112 margarite -2.92 -6.31 -3.40 -0.136 0.79458E+04 115 microcline -4.76 -4.94 -0.18 -0.014 0.43006E+03 116 monticellite 15.95 11.90 -4.05 -0.579 0.94734E+04 118 mullite-Si -2.69 -7.34 -4.65 -0.465 0.10883E+05 119 muscovite -8.09 -10.05 -1.96 -0.115 0.45822E+04 120 paragonite -7.09 -9.17 -2.08 -0.122 0.48664E+04 121 nepheline 2.95 0.40 -2.55 -0.365 0.59713E+04 126 periclase 10.50 5.76 -4.74 -1.184 0.11082E+05 127 periclase-Fe 7.08 2.86 -4.23 -1.056 0.98833E+04 133 phlogopite-Na 15.25 13.22 -2.02 -0.112 0.47328E+04 135 prehnite 5.91 4.94 -0.97 -0.057 0.22682E+04 136 prehnite-Fe 10.56 8.97 -1.59 -0.095 0.37127E+04 137 pumpellyite-Fe 13.94 10.19 -3.75 -0.083 0.87764E+04 138 pumpellyite-Mg 15.98 13.09 -2.89 -0.064 0.67652E+04 140 px-Ca-tschermaks 5.22 1.03 -4.19 -0.300 0.98092E+04 141 pyrite -19.53 -20.43 -0.90 -0.211 0.21004E+04 142 pyrrhotite -5.73 -7.40 -1.67 -0.558 0.39151E+04 143 pyrrhotiteFe0.875 -6.91 -8.10 -1.19 -0.438 0.27833E+04 144 pyroxmangite 4.57 1.28 -3.29 -0.658 0.76975E+04 145 pyrophyllite -11.65 -14.02 -2.37 -0.148 0.55537E+04 151 rhodochrosite -2.55 -6.15 -3.60 -1.201 0.84296E+04 152 rhodonite 4.59 1.28 -3.31 -0.662 0.77367E+04 153 sanidine -3.87 -4.94 -1.07 -0.082 0.24968E+04 155 siderite -4.29 -6.80 -2.52 -0.839 0.58853E+04 156 sillimanite -4.06 -7.34 -3.28 -0.328 0.76651E+04 163 stilbite -10.74 -12.33 -1.60 -0.076 0.37378E+04 165 stilpnomelane-Mg 8.93 8.02 -0.91 -0.027 0.21202E+04 166 stishovite 2.18 -2.23 -4.41 -1.470 0.10314E+05 168 sudoite -0.39 -5.39 -4.99 -0.161 0.11680E+05 169 sulfur -8.74 -13.02 -4.29 -1.320 0.10033E+05 171 talc 8.97 8.37 -0.60 -0.035 0.13946E+04 173 talc-tschermaks 4.16 -0.27 -4.43 -0.261 0.10372E+05 178 topaz-H -3.42 -7.34 -3.92 -0.356 0.91657E+04 179 tridymite -2.03 -2.23 -0.20 -0.066 0.46588E+03 180 tremolite 28.26 27.72 -0.53 -0.014 0.12495E+04 182 troilite-low -5.76 -7.40 -1.64 -0.547 0.38392E+04 183 tschermakite 15.37 10.43 -4.94 -0.133 0.11552E+05 188 wairakite -5.03 -5.65 -0.62 -0.037 0.14562E+04 189 walstromite 7.86 6.14 -1.72 -0.344 0.40219E+04 190 wollastonite 7.11 6.14 -0.97 -0.194 0.22651E+04 191 pseudo-wollastonite 7.44 6.14 -1.29 -0.259 0.30278E+04 192 zoisite 4.25 2.39 -1.86 -0.085 0.43583E+04 193 beidellite-Ca -9.76 -12.75 -2.99 -0.185 0.69872E+04 194 beidellite-H -10.11 -14.13 -4.02 -0.257 0.94127E+04 195 beidellite-K -9.17 -12.71 -3.54 -0.217 0.82837E+04 196 beidellite-Mg -10.00 -13.18 -3.18 -0.197 0.74434E+04 197 beidellite-Na -9.12 -12.42 -3.31 -0.202 0.77317E+04 200 chalcedony -2.09 -2.23 -0.14 -0.046 0.32128E+03 201 chalcocite -20.64 -22.05 -1.41 -0.353 0.33070E+04 202 covellite -15.51 -17.54 -2.03 -0.774 0.47545E+04 204 montmorillonite-Ca -8.11 -9.90 -1.79 -0.111 0.41844E+04 205 montmorillonite-K -7.64 -9.86 -2.22 -0.136 0.51962E+04 206 montmorillonite-Mg -8.37 -10.33 -1.96 -0.121 0.45853E+04 207 montmorillonite-Na -7.50 -9.57 -2.07 -0.127 0.48411E+04 209 nontronite-Ca -1.20 -4.69 -3.49 -0.226 0.81523E+04 210 nontronite-H -1.55 -6.07 -4.52 -0.303 0.10567E+05 211 nontronite-K -0.61 -4.65 -4.04 -0.259 0.94461E+04 212 nontronite-Mg -1.43 -5.12 -3.68 -0.239 0.86155E+04 213 nontronite-Na -0.55 -4.36 -3.80 -0.244 0.88991E+04 229 tobermorite 8.23 4.74 -3.48 -0.951 0.81486E+04 235 alabandite -2.95 -6.75 -3.80 -1.266 0.88811E+04 240 boehmite -0.43 -2.56 -2.13 -0.355 0.49779E+04 242 chalcopyrite -24.47 -24.94 -0.47 -0.088 0.11054E+04 245 copper,native -1.09 -4.51 -3.42 -1.191 0.80076E+04 246 dolomite,disordered -3.27 -5.19 -1.92 -0.321 0.45013E+04 247 ferrous-oxide 5.71 2.86 -2.85 -0.712 0.66645E+04 248 fluorite -11.34 -12.75 -1.41 -0.469 0.32929E+04 249 galena -10.15 -10.37 -0.22 -0.072 0.50388E+03 257 silica-amorphous -1.69 -2.23 -0.53 -0.177 0.12448E+04 260 sphalerite -10.07 -11.07 -1.01 -0.335 0.23520E+04 261 wurtzite -8.73 -11.07 -2.34 -0.780 0.54731E+04 263 an20ab80 -2.95 -3.48 -0.53 -0.041 0.12459E+04 264 an25ab75 -2.78 -3.34 -0.57 -0.044 0.13238E+04 265 an30ab70 -2.59 -3.20 -0.61 -0.047 0.14169E+04 266 tr.625ac.25prg.125 24.18 23.62 -0.56 -0.015 0.13162E+04 271 FeS-amorphous -4.03 -7.40 -3.38 -1.125 0.78944E+04 ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ Test file for CHIM-XPT. Boil Broadlands Water Water similar to Broadlands Well No. 2 CHIMRUN demo-2a ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ Number of loops used = 6 Loop limit = 200 Temperature = 238.00 C Pressure = 32.71 bar Mixer fraction = 0.0000000 Total current enthalpy = 296.5306 KCAL Water: Moles liquid = 0.4918E+02 kg liquid = 0.8861E+00 Moles total = 0.5551E+02 kg total = 0.1000E+01 Activity = 0.9998 Stoichiometric ionic strength = .4195984E-01 Osmotic coef. = 0.9026 True ionic strength = .3629730E-01 Chg. balance for total moles = 0.2402E-07 Max. difference allowed = 0.3072E-05 Log Log Log Species(n) Molality Molality Activity Activity Gamma Gamma 1 H+ 0.20820E-06 -6.6815 0.15023E-06 -6.8232 0.72156E+00 -0.1417 2 H2O 0.99984E+00 -0.0001 0.99984E+00 -0.0001 3 Cl- 0.33345E-01 -1.4770 0.23725E-01 -1.6248 0.71148E+00 -0.1478 4 SO4-- 0.75194E-07 -7.1238 0.21125E-07 -7.6752 0.28093E+00 -0.5514 5 HCO3- 0.20339E-02 -2.6917 0.14560E-02 -2.8368 0.71588E+00 -0.1452 6 HS- 0.51456E-03 -3.2886 0.36634E-03 -3.4361 0.71195E+00 -0.1475 7 H4SiO4 0.59265E-02 -2.2272 0.59265E-02 -2.2272 0.10000E+01 0.0000 8 Al+++ 0.16726E-21 -21.7766 0.94113E-23 -23.0263 0.56266E-01 -1.2498 9 Ca++ 0.19217E-04 -4.7163 0.52758E-05 -5.2777 0.27454E+00 -0.5614 10 Mg++ 0.48189E-07 -7.3170 0.13001E-07 -7.8860 0.26979E+00 -0.5690 11 Fe++ 0.59191E-10 -10.2277 0.16038E-10 -10.7948 0.27096E+00 -0.5671 12 K+ 0.41652E-02 -2.3804 0.29868E-02 -2.5248 0.71708E+00 -0.1444 13 Na+ 0.32054E-01 -1.4941 0.22814E-01 -1.6418 0.71174E+00 -0.1477 14 Mn++ 0.26771E-09 -9.5723 0.72770E-10 -10.1380 0.27183E+00 -0.5657 15 Zn++ 0.12838E-13 -13.8915 0.34785E-14 -14.4586 0.27096E+00 -0.5671 16 Cu+ 0.26546E-12 -12.5760 0.18890E-12 -12.7238 0.71159E+00 -0.1478 17 Pb++ 0.63603E-13 -13.1965 0.17649E-13 -13.7533 0.27749E+00 -0.5568 18 Hg++ 0.78793E-34 -34.1035 0.21754E-34 -34.6625 0.27609E+00 -0.5589 19 F- 0.26089E-03 -3.5835 0.18350E-03 -3.7364 0.70335E+00 -0.1528 21 HSiO3- 0.55228E-04 -4.2578 0.39294E-04 -4.4057 0.71148E+00 -0.1478 22 Ca(HSiO3)+ 0.13894E-06 -6.8572 0.99709E-07 -7.0013 0.71765E+00 -0.1441 23 Mg(HSiO3)+ 0.24865E-09 -9.6044 0.17844E-09 -9.7485 0.71765E+00 -0.1441 24 NaHSiO3,aq 0.11078E-04 -4.9556 0.11078E-04 -4.9556 0.10000E+01 0.0000 27 HAlO2,aq 0.74646E-08 -8.1270 0.74646E-08 -8.1270 0.10000E+01 0.0000 28 AlO2- 0.24669E-05 -5.6078 0.17383E-05 -5.7599 0.70463E+00 -0.1520 29 CH4,aq 0.31585E-04 -4.5005 0.31189E-04 -4.5060 0.98745E+00 -0.0055 34 CO,aq 0.18346E-07 -7.7364 0.18346E-07 -7.7364 0.10000E+01 0.0000 35 CO2,aq 0.79093E-02 -2.1019 0.78101E-02 -2.1073 0.98745E+00 -0.0055 36 CO3-2 0.60544E-06 -6.2179 0.16883E-06 -6.7725 0.27886E+00 -0.5546 37 CaCO3,aq 0.10002E-05 -5.9999 0.10002E-05 -5.9999 0.10000E+01 0.0000 38 Ca(HCO3)+ 0.77681E-05 -5.1097 0.55748E-05 -5.2538 0.71765E+00 -0.1441 39 CaCl+ 0.88445E-05 -5.0533 0.63473E-05 -5.1974 0.71765E+00 -0.1441 40 CaCl2,aq 0.10453E-06 -6.9808 0.10453E-06 -6.9808 0.10000E+01 0.0000 41 CaF+ 0.70091E-06 -6.1543 0.50301E-06 -6.2984 0.71765E+00 -0.1441 42 CaOH+ 0.24181E-05 -5.6165 0.17354E-05 -5.7606 0.71765E+00 -0.1441 43 CaSO4,aq 0.99583E-09 -9.0018 0.99583E-09 -9.0018 0.10000E+01 0.0000 44 HCl,aq 0.62732E-08 -8.2025 0.62732E-08 -8.2025 0.10000E+01 0.0000 53 CuCl,aq 0.37888E-10 -10.4215 0.37888E-10 -10.4215 0.10000E+01 0.0000 54 CuCl2- 0.26499E-10 -10.5768 0.18853E-10 -10.7246 0.71148E+00 -0.1478 61 HF,aq 0.53873E-05 -5.2686 0.53873E-05 -5.2686 0.10000E+01 0.0000 62 HF2- 0.42595E-09 -9.3706 0.30305E-09 -9.5185 0.71148E+00 -0.1478 64 FeCl+ 0.17960E-10 -10.7457 0.12889E-10 -10.8898 0.71765E+00 -0.1441 69 FeO,aq 0.48943E-09 -9.3103 0.48943E-09 -9.3103 0.10000E+01 0.0000 70 FeOH+ 0.48035E-09 -9.3184 0.34473E-09 -9.4625 0.71765E+00 -0.1441 71 HFeO2- 0.17363E-09 -9.7604 0.12353E-09 -9.9082 0.71148E+00 -0.1478 74 FeO2- 0.15855E-09 -9.7998 0.11281E-09 -9.9477 0.71148E+00 -0.1478 75 HFeO2,aq 0.54499E-10 -10.2636 0.54499E-10 -10.2636 0.10000E+01 0.0000 76 H2,aq 0.56640E-04 -4.2469 0.55929E-04 -4.2524 0.98745E+00 -0.0055 77 Hg,aq 0.12869E-09 -9.8905 0.12708E-09 -9.8959 0.98745E+00 -0.0055 90 KCl,aq 0.27830E-04 -4.5555 0.27830E-04 -4.5555 0.10000E+01 0.0000 92 KOH,aq 0.43940E-06 -6.3571 0.43940E-06 -6.3571 0.10000E+01 0.0000 93 KSO4- 0.17204E-07 -7.7644 0.12240E-07 -7.9122 0.71148E+00 -0.1478 94 MgCO3,aq 0.28862E-09 -9.5397 0.28862E-09 -9.5397 0.10000E+01 0.0000 95 Mg(HCO3)+ 0.17633E-07 -7.7537 0.12654E-07 -7.8978 0.71765E+00 -0.1441 96 MgCl+ 0.10906E-07 -7.9623 0.78267E-08 -8.1064 0.71765E+00 -0.1441 97 MgF+ 0.47763E-08 -8.3209 0.34277E-08 -8.4650 0.71765E+00 -0.1441 98 MgOH+ 0.18860E-07 -7.7245 0.13535E-07 -7.8686 0.71765E+00 -0.1441 101 MnO,aq 0.66037E-10 -10.1802 0.66037E-10 -10.1802 0.10000E+01 0.0000 102 MnOH+ 0.31594E-09 -9.5004 0.22674E-09 -9.6445 0.71765E+00 -0.1441 107 MnCl+ 0.14310E-08 -8.8444 0.10269E-08 -8.9885 0.71765E+00 -0.1441 109 NaCl,aq 0.12879E-02 -2.8901 0.12879E-02 -2.8901 0.10000E+01 0.0000 110 NaF,aq 0.81453E-05 -5.0891 0.81453E-05 -5.0891 0.10000E+01 0.0000 111 NaOH,aq 0.21942E-05 -5.6587 0.21942E-05 -5.6587 0.10000E+01 0.0000 113 OH- 0.63232E-04 -4.1991 0.44555E-04 -4.3511 0.70463E+00 -0.1520 122 PbO,aq 0.16380E-10 -10.7857 0.16380E-10 -10.7857 0.10000E+01 0.0000 124 Pb(HS)2,aq 0.11967E-07 -7.9220 0.11967E-07 -7.9220 0.10000E+01 0.0000 125 Pb(HS)3- 0.20833E-09 -9.6813 0.14822E-09 -9.8291 0.71148E+00 -0.1478 126 H2S,aq 0.70001E-03 -3.1549 0.69123E-03 -3.1604 0.98745E+00 -0.0055 127 S2-2 0.14276E-09 -9.8454 0.39810E-10 -10.4000 0.27886E+00 -0.5546 134 HSO3- 0.16525E-10 -10.7819 0.11757E-10 -10.9297 0.71148E+00 -0.1478 135 HSO4- 0.51243E-09 -9.2904 0.36882E-09 -9.4332 0.71974E+00 -0.1428 154 ZnOH+ 0.12481E-09 -9.9038 0.89569E-10 -10.0478 0.71765E+00 -0.1441 159 AlF3,aq 0.40904E-10 -10.3882 0.40904E-10 -10.3882 0.10000E+01 0.0000 160 AlF4- 0.37038E-10 -10.4314 0.26352E-10 -10.5792 0.71148E+00 -0.1478 164 Cu(HS)2- 0.69617E-07 -7.1573 0.49531E-07 -7.3051 0.71148E+00 -0.1478 166 CuH4S3-b 0.79813E-10 -10.0979 0.56785E-10 -10.2458 0.71148E+00 -0.1478 180 MnCl2,aq 0.73720E-09 -9.1324 0.73720E-09 -9.1324 0.10000E+01 0.0000 181 MnCl3- 0.12386E-09 -9.9071 0.88126E-10 -10.0549 0.71148E+00 -0.1478 182 MnCO3,aq 0.12329E-09 -9.9091 0.12329E-09 -9.9091 0.10000E+01 0.0000 183 NaCO3- 0.32325E-06 -6.4905 0.22999E-06 -6.6383 0.71148E+00 -0.1478 184 NaHCO3,aq 0.63843E-04 -4.1949 0.63843E-04 -4.1949 0.10000E+01 0.0000 185 NaHS,aq 0.16063E-04 -4.7942 0.16063E-04 -4.7942 0.10000E+01 0.0000 186 NaSO4- 0.27976E-07 -7.5532 0.19905E-07 -7.7010 0.71148E+00 -0.1478 187 PbCO3,aq 0.26244E-09 -9.5810 0.26244E-09 -9.5810 0.10000E+01 0.0000 188 PbOH+ 0.62919E-10 -10.2012 0.45154E-10 -10.3453 0.71765E+00 -0.1441 193 Zn(HS)2,aq 0.16819E-07 -7.7742 0.16819E-07 -7.7742 0.10000E+01 0.0000 194 Zn(HS)3- 0.30585E-09 -9.5145 0.21761E-09 -9.6623 0.71148E+00 -0.1478 Charge balance for all species = 0.2711E-07 Component Molality Aq.molality ppm log[A(N)/A(H+)**Z] (total) 1 H+ 0.2081999E-06 0.8454240E-02 0.8493665E+01 0.0000 2 H2O 0.1000000E+01 0.5550044E+02 0.9966067E+06 0.0000 3 Cl- 0.3334526E-01 0.3467005E-01 0.1225162E+04 5.1984 4 SO4-- 0.7519420E-07 -.4562773E-04 -.4368824E+01 5.9713 5 HCO3- 0.2033905E-02 0.1004841E-01 0.6111325E+03 3.9864 6 HS- 0.5145558E-03 0.1276580E-02 0.4208181E+02 3.3871 7 H4SiO4 0.5926478E-02 0.5992923E-02 0.5741397E+03 -2.2272 8 Al+++ 0.1672642E-21 0.2474476E-05 0.6654804E-01 -2.5566 9 Ca++ 0.1921680E-04 0.4019311E-04 0.1605623E+01 8.3688 10 Mg++ 0.4818925E-07 0.1009089E-06 0.2445322E-02 5.7605 11 Fe++ 0.5919141E-10 0.1437186E-08 0.8000160E-04 2.8517 12 K+ 0.4165164E-02 0.4193451E-02 0.1634393E+03 4.2984 13 Na+ 0.3205354E-01 0.3344310E-01 0.7663508E+03 5.1814 14 Mn++ 0.2677077E-09 0.3071649E-08 0.1682017E-03 3.5084 15 Zn++ 0.1283768E-13 0.1726722E-07 0.1125089E-02 -0.8121 16 Cu+ 0.2654635E-12 0.6976501E-07 0.4418459E-02 -5.9005 17 Pb++ 0.6360260E-13 0.1252720E-07 0.2587072E-02 -0.1068 18 Hg++ 0.7879267E-34 0.1293944E-09 0.2587084E-04 -21.0160 19 F- 0.2608927E-03 0.2751321E-03 0.5209968E+01 3.0869 Component Tot moles Aq. moles Solid moles Gas moles 1 H+ 0.1822172E+00 0.7491067E-02 -.4892449E-06 0.1747266E+00 2 H2O 0.5550825E+02 0.4917739E+02 -.5090000E-02 0.6335952E+01 3 Cl- 0.3072017E-01 0.3072017E-01 0.0000000E+00 0.1041570E-08 4 SO4-- -.4257700E-02 -.4042946E-04 0.1393158E-10 -.4217271E-02 5 HCO3- 0.1832100E+00 0.8903614E-02 0.0000000E+00 0.1743064E+00 6 HS- 0.9985820E-02 0.1131142E-02 0.4318789E-09 0.8854677E-02 7 H4SiO4 0.7855346E-02 0.5310162E-02 0.2545183E-02 0.0000000E+00 8 Al+++ 0.2253680E-05 0.2192565E-05 0.6111556E-07 0.0000000E+00 9 Ca++ 0.3561400E-04 0.3561400E-04 0.0000000E+00 0.0000000E+00 10 Mg++ 0.2355503E-06 0.8941257E-07 0.1461377E-06 0.0000000E+00 11 Fe++ 0.8017372E-08 0.1273450E-08 0.6743922E-08 0.0000000E+00 12 K+ 0.3715700E-02 0.3715700E-02 0.0000000E+00 0.0000000E+00 13 Na+ 0.2963300E-01 0.2963300E-01 0.0000000E+00 0.0000000E+00 14 Mn++ 0.2740424E-08 0.2721703E-08 0.1872084E-10 0.0000000E+00 15 Zn++ 0.1530000E-07 0.1530000E-07 0.0000000E+00 0.0000000E+00 16 Cu+ 0.6237410E-07 0.6181684E-07 0.5572631E-09 0.0000000E+00 17 Pb++ 0.1110000E-07 0.1110000E-07 0.0000000E+00 0.0000000E+00 18 Hg++ 0.4000000E-08 0.1146528E-09 0.0000000E+00 0.3885347E-08 19 F- 0.2439100E-03 0.2437869E-03 0.0000000E+00 0.1230976E-06 Chg. balance for solid moles: 0.1012E-16 Mass of aqueous solution: 0.888962E+03 g Temperature = 238.00 C Pressure = 32.71 bar Mixer frac. = 0.0000000 Log Log Vol Gas or mineral Moles Moles Grams Grams Wt.% (cm3) H2O,gas 6.499 0.813 117.1 2.068 93.78 7138. CO2,gas 0.1714 -0.766 7.543 0.878 6.044 234.1 CH4,gas 0.2913E-02 -2.536 0.4673E-01 -1.330 0.3744E-01 4.348 H2,gas 0.5215E-02 -2.283 0.1053E-01 -1.977 0.8441E-02 6.862 H2S,gas 0.4637E-02 -2.334 0.1580 -0.801 0.1266 5.730 CO,gas 0.1442E-05 -5.841 0.4038E-04 -4.394 0.3235E-04 0.1873E-02 SO2,gas 0.1934E-12 -12.714 0.1239E-10 -10.907 0.9926E-11 0.2513E-09 HF,gas 0.1231E-06 -6.910 0.2462E-05 -5.609 0.1973E-05 0.1599E-03 HCl,gas 0.1042E-08 -8.982 0.3798E-07 -7.420 0.3043E-07 0.1353E-05 Hg,gas 0.3885E-08 -8.411 0.7794E-06 -6.108 0.6244E-06 0.5048E-05 clinochlore 0.2923E-07 -7.534 0.1625E-04 -4.789 0.1062E-01 0.6179E-05 daphnite 0.1326E-08 -8.877 0.9465E-06 -6.024 0.6189E-03 0.2868E-06 chlorite-Mn 0.3744E-11 -11.427 0.2655E-08 -8.576 0.1736E-05 0.8459E-09 quartz 0.2545E-02 -2.594 0.1529 -0.816 99.99 0.5775E-01 bornite 0.1115E-09 -9.953 0.5593E-07 -7.252 0.3657E-04 0.1100E-07 Partial press. Fugacity coef Log fugacity Gas or Mineral Mole fraction or activity Activity coef Log activity H2O,gas 0.9724E+00 0.3181E+02 0.8700 1.442 CO2,gas 0.2564E-01 0.8388E+00 1.0026 -0.075 CH4,gas 0.4359E-03 0.1426E-01 1.1287 -1.793 H2,gas 0.7803E-03 0.2553E-01 1.0128 -1.588 H2S,gas 0.6939E-03 0.2270E-01 0.9510 -1.666 CO,gas 0.2157E-06 0.7056E-05 1.0000 -5.151 SO2,gas 0.2894E-13 0.9465E-12 1.0000 -12.024 HF,gas 0.1842E-07 0.6025E-06 1.0000 -6.220 HCl,gas 0.1558E-09 0.5098E-08 1.0000 -8.293 Hg,gas 0.5813E-09 0.1902E-07 1.0000 -7.721 clinochlore 0.9565E+00 0.9565E+00 1.0000 -0.019 daphnite 0.4341E-01 0.4341E-01 1.0000 -1.362 chlorite-Mn 0.1225E-03 0.1225E-03 1.0000 -3.912 quartz 0.1000E+01 0.1000E+01 1.0000 0.000 bornite 0.1000E+01 0.1000E+01 1.0000 0.000 Current weight percent of gas: 12.309521 % Solid products produced: Mass = 0.152926 g Volume = 0.057752 cm3 WARNING: mineral volume may be in error because some mineral densities were not supplied in SOLTHERM. See mineral list in file Skip_Species.txt. NON-Ideal mixing with H2O, CO2, CH4 Gases ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ The following gases and minerals are presently in matrix or were just added Gas or Mineral Log K Log Q Log(Q/K) Log(Q/K)/S Affinity Log Fugacity 1 H2O,gas 0.07 0.07 -0.00 -0.000 0.86601E-10 2 CO2,gas -8.07 -8.07 0.00 0.000 -0.29084E-10 3 CH4,gas 4.71 4.71 0.00 0.000 -0.83096E-10 4 H2,gas 5.87 5.87 0.00 0.000 -0.41548E-11 5 H2S,gas -7.08 -7.08 -0.00 -0.000 0.27006E-10 6 CO,gas -0.23 -0.23 -0.00 -0.000 0.10387E-11 7 SO2,gas -5.02 -5.02 -0.00 -0.000 0.20774E-11 8 HF,gas -2.82 -2.82 0.00 0.000 0.00000E+00 9 HCl,gas 1.36 1.36 -0.00 -0.000 0.20774E-11 10 Hg,gas -9.01 -9.01 -0.00 -0.000 0.83096E-11 43 clinochlore 17.10 17.10 0.00 0.000 -0.24929E-10 44 daphnite 9.28 9.28 -0.00 -0.000 0.33238E-10 45 chlorite-Mn 25.31 25.31 0.00 0.000 -0.16619E-10 146 quartz -2.23 -2.23 0.00 0.000 0.00000E+00 198 bornite -69.07 -69.07 0.00 0.000 0.00000E+00 The following gases and minerals are presently EXCLUDED from matrix (Gases and minerals with log(Q/K) less than -5 are not listed below) Gas or Mineral Log K Log Q Log(Q/K) Log(Q/K)/S Affinity Log Fugacity 11 acmite 5.10 2.20 -2.91 -0.302 0.67964E+04 15 albite-high -3.00 -4.06 -1.06 -0.081 0.24680E+04 16 albite -3.55 -4.06 -0.51 -0.039 0.11869E+04 20 analcite -0.59 -1.83 -1.24 -0.138 0.29017E+04 21 andalusite -4.22 -7.34 -3.12 -0.312 0.73085E+04 22 andradite 24.37 21.36 -3.01 -0.156 0.70376E+04 23 grossular 15.15 13.31 -1.84 -0.092 0.42971E+04 24 anhydrite -8.15 -12.95 -4.81 -2.403 0.11242E+05 25 ankerite -5.68 -8.10 -2.42 -0.403 0.56565E+04 26 annite 8.30 3.62 -4.69 -0.260 0.10967E+05 27 phlogopite 13.68 12.34 -1.33 -0.074 0.31202E+04 29 anorthite 0.52 -1.20 -1.72 -0.132 0.40225E+04 32 aragonite -0.96 -1.29 -0.33 -0.110 0.77195E+03 33 brucite 8.53 5.76 -2.77 -0.553 0.64674E+04 34 calcite -1.11 -1.29 -0.18 -0.059 0.41530E+03 35 carnegieite-low 3.48 0.40 -3.08 -0.440 0.72104E+04 36 carnegieite-high 4.04 0.40 -3.64 -0.521 0.85251E+04 37 carpholite-Mg -1.43 -3.81 -2.38 -0.159 0.55656E+04 38 carpholite-Fe -2.89 -6.72 -3.83 -0.255 0.89574E+04 39 celadonite 0.66 -1.41 -2.06 -0.121 0.48284E+04 40 celadonite-Fe -0.63 -4.32 -3.68 -0.217 0.86129E+04 41 chrysotile 15.00 12.83 -2.18 -0.181 0.50933E+04 46 chlorite-Al-free 29.70 25.65 -4.05 -0.169 0.94692E+04 47 chloritoid-Mg 1.34 -1.58 -2.92 -0.195 0.68243E+04 48 chloritoid-Fe -1.54 -4.49 -2.95 -0.197 0.68968E+04 49 chloritoid-Mn 0.67 -3.83 -4.50 -0.300 0.10528E+05 51 coesite -1.76 -2.23 -0.47 -0.156 0.10978E+04 56 corundum -1.70 -5.11 -3.42 -0.311 0.79914E+04 58 cristobalite -2.00 -2.23 -0.23 -0.075 0.52680E+03 61 cymrite-K -1.51 -4.94 -3.43 -0.285 0.80120E+04 63 diaspore -1.32 -2.56 -1.24 -0.206 0.28905E+04 64 diamond -1.91 -4.13 -2.22 -0.635 0.52002E+04 65 diopside 10.06 9.67 -0.38 -0.038 0.89511E+03 66 hedenbergite 8.50 6.77 -1.73 -0.173 0.40519E+04 67 dolomite,ordered -3.61 -5.19 -1.58 -0.263 0.36937E+04 68 eastonite 8.12 3.69 -4.42 -0.170 0.10347E+05 69 enstatite 9.98 7.07 -2.92 -0.292 0.68217E+04 70 clinoenstatite-HiP 10.79 7.07 -3.72 -0.372 0.87072E+04 71 clinoenstatite 9.92 7.07 -2.85 -0.285 0.66641E+04 72 protoenstatite 10.33 7.07 -3.26 -0.326 0.76264E+04 73 epidote 8.07 6.41 -1.66 -0.081 0.38835E+04 74 clinozoisite 4.21 2.39 -1.83 -0.083 0.42766E+04 75 epidote-Fe 14.40 10.44 -3.97 -0.206 0.92788E+04 76 fayalite 7.51 3.48 -4.03 -0.576 0.94293E+04 77 ferrosilite 5.39 1.25 -4.14 -0.414 0.96893E+04 78 forsterite 12.72 9.29 -3.43 -0.490 0.80237E+04 81 gibbsite 0.03 -2.56 -2.58 -0.369 0.60399E+04 82 glaucophane 8.18 4.71 -3.46 -0.094 0.81038E+04 84 goethite 3.60 1.47 -2.13 -0.460 0.49797E+04 85 graphite -2.29 -4.13 -1.84 -0.526 0.43065E+04 86 greenalite 9.08 4.10 -4.98 -0.415 0.11653E+05 88 halite 1.01 -3.27 -4.28 -2.141 0.10013E+05 89 hematite 6.34 2.94 -3.41 -0.413 0.79694E+04 90 heulandite -11.67 -12.33 -0.66 -0.030 0.15524E+04 94 jadeite 0.30 -1.83 -2.13 -0.213 0.49890E+04 96 kalsilite 2.61 -0.49 -3.09 -0.442 0.72360E+04 97 kaolinite -7.38 -9.57 -2.18 -0.199 0.51077E+04 98 kyanite -4.17 -7.34 -3.17 -0.317 0.74071E+04 100 laumontite -4.72 -5.65 -0.93 -0.062 0.21788E+04 101 lawsonite 0.25 -1.20 -1.45 -0.097 0.33960E+04 102 leucite -0.23 -2.71 -2.48 -0.248 0.57995E+04 104 lizardite 14.72 12.83 -1.89 -0.158 0.44209E+04 105 magnesite -1.83 -3.90 -2.07 -0.690 0.48388E+04 106 magnetite 10.43 5.79 -4.64 -0.379 0.10845E+05 107 minnesotaite 4.18 -0.35 -4.54 -0.267 0.10609E+05 108 minnesotaite-Mg 11.90 8.37 -3.53 -0.207 0.82489E+04 112 margarite -2.92 -6.31 -3.40 -0.136 0.79457E+04 115 microcline -4.76 -4.94 -0.18 -0.014 0.43004E+03 116 monticellite 15.95 11.90 -4.05 -0.579 0.94728E+04 118 mullite-Si -2.69 -7.34 -4.65 -0.465 0.10883E+05 119 muscovite -8.09 -10.05 -1.96 -0.115 0.45821E+04 120 paragonite -7.09 -9.17 -2.08 -0.122 0.48663E+04 121 nepheline 2.95 0.40 -2.55 -0.365 0.59713E+04 126 periclase 10.50 5.76 -4.74 -1.184 0.11081E+05 127 periclase-Fe 7.08 2.85 -4.23 -1.058 0.98968E+04 133 phlogopite-Na 15.25 13.22 -2.02 -0.112 0.47309E+04 135 prehnite 5.91 4.94 -0.97 -0.057 0.22682E+04 136 prehnite-Fe 10.56 8.97 -1.59 -0.096 0.37260E+04 137 pumpellyite-Fe 13.94 10.18 -3.76 -0.084 0.87896E+04 138 pumpellyite-Mg 15.98 13.09 -2.89 -0.064 0.67644E+04 140 px-Ca-tschermaks 5.22 1.03 -4.19 -0.300 0.98092E+04 141 pyrite -19.53 -20.43 -0.90 -0.213 0.21138E+04 142 pyrrhotite -5.73 -7.41 -1.68 -0.560 0.39285E+04 143 pyrrhotiteFe0.875 -6.91 -8.11 -1.19 -0.439 0.27950E+04 144 pyroxmangite 4.57 1.28 -3.29 -0.658 0.76975E+04 145 pyrophyllite -11.65 -14.02 -2.37 -0.148 0.55537E+04 151 rhodochrosite -2.55 -6.15 -3.60 -1.201 0.84296E+04 152 rhodonite 4.59 1.28 -3.31 -0.662 0.77367E+04 153 sanidine -3.87 -4.94 -1.07 -0.082 0.24968E+04 155 siderite -4.29 -6.81 -2.52 -0.841 0.58987E+04 156 sillimanite -4.06 -7.34 -3.28 -0.328 0.76651E+04 163 stilbite -10.74 -12.33 -1.60 -0.076 0.37377E+04 165 stilpnomelane-Mg 8.93 8.02 -0.91 -0.027 0.21171E+04 166 stishovite 2.18 -2.23 -4.41 -1.470 0.10314E+05 168 sudoite -0.39 -5.39 -4.99 -0.161 0.11678E+05 169 sulfur -8.74 -13.02 -4.29 -1.320 0.10033E+05 171 talc 8.97 8.37 -0.60 -0.035 0.13928E+04 173 talc-tschermaks 4.16 -0.27 -4.43 -0.261 0.10371E+05 178 topaz-H -3.42 -7.34 -3.92 -0.356 0.91656E+04 179 tridymite -2.03 -2.23 -0.20 -0.066 0.46588E+03 180 tremolite 28.26 27.72 -0.53 -0.014 0.12465E+04 182 troilite-low -5.76 -7.41 -1.65 -0.549 0.38527E+04 183 tschermakite 15.37 10.43 -4.94 -0.133 0.11550E+05 188 wairakite -5.03 -5.65 -0.62 -0.037 0.14562E+04 189 walstromite 7.86 6.14 -1.72 -0.344 0.40219E+04 190 wollastonite 7.11 6.14 -0.97 -0.194 0.22651E+04 191 pseudo-wollastonite 7.44 6.14 -1.29 -0.259 0.30278E+04 192 zoisite 4.25 2.39 -1.86 -0.085 0.43583E+04 193 beidellite-Ca -9.76 -12.75 -2.99 -0.185 0.69871E+04 194 beidellite-H -10.11 -14.13 -4.02 -0.257 0.94127E+04 195 beidellite-K -9.17 -12.71 -3.54 -0.217 0.82836E+04 196 beidellite-Mg -10.00 -13.18 -3.18 -0.197 0.74433E+04 197 beidellite-Na -9.12 -12.42 -3.31 -0.202 0.77316E+04 200 chalcedony -2.09 -2.23 -0.14 -0.046 0.32128E+03 201 chalcocite -20.64 -22.06 -1.42 -0.355 0.33253E+04 202 covellite -15.51 -17.54 -2.04 -0.776 0.47636E+04 204 montmorillonite-Ca -8.11 -9.90 -1.79 -0.111 0.41842E+04 205 montmorillonite-K -7.64 -9.86 -2.22 -0.136 0.51960E+04 206 montmorillonite-Mg -8.37 -10.33 -1.96 -0.121 0.45850E+04 207 montmorillonite-Na -7.50 -9.57 -2.07 -0.127 0.48408E+04 209 nontronite-Ca -1.20 -4.70 -3.50 -0.227 0.81791E+04 210 nontronite-H -1.55 -6.08 -4.53 -0.304 0.10594E+05 211 nontronite-K -0.61 -4.66 -4.05 -0.260 0.94730E+04 212 nontronite-Mg -1.43 -5.13 -3.69 -0.240 0.86422E+04 213 nontronite-Na -0.55 -4.37 -3.82 -0.245 0.89259E+04 229 tobermorite 8.23 4.74 -3.48 -0.951 0.81486E+04 235 alabandite -2.95 -6.75 -3.80 -1.266 0.88811E+04 240 boehmite -0.43 -2.56 -2.13 -0.355 0.49779E+04 242 chalcopyrite -24.47 -24.95 -0.48 -0.090 0.11279E+04 245 copper,native -1.09 -4.52 -3.43 -1.192 0.80167E+04 246 dolomite,disordered -3.27 -5.19 -1.92 -0.321 0.45007E+04 247 ferrous-oxide 5.71 2.85 -2.86 -0.714 0.66779E+04 248 fluorite -11.34 -12.75 -1.41 -0.469 0.32929E+04 249 galena -10.15 -10.37 -0.22 -0.072 0.50388E+03 257 silica-amorphous -1.69 -2.23 -0.53 -0.177 0.12448E+04 260 sphalerite -10.07 -11.07 -1.01 -0.335 0.23520E+04 261 wurtzite -8.73 -11.07 -2.34 -0.780 0.54731E+04 263 an20ab80 -2.95 -3.48 -0.53 -0.041 0.12459E+04 264 an25ab75 -2.78 -3.34 -0.57 -0.044 0.13238E+04 265 an30ab70 -2.59 -3.20 -0.61 -0.047 0.14169E+04 266 tr.625ac.25prg.125 24.18 23.61 -0.57 -0.015 0.13307E+04 271 FeS-amorphous -4.03 -7.41 -3.38 -1.127 0.79078E+04 Calculations done for 238.0000 Deg. C; 32.7104 bar Enthalpies: Pure water 4.4244 kcal/mole H2O,gas 12.0588 kcal/mole CO2,gas 3.1401 kcal/mole CH4,gas 3.0473 kcal/mole Current solution 217.6110 Gas 78.9196 kcal Total current enthalpy 296.5306 kcal Starting enthalpy 296.5306 kcal Temperature changed by -2.000 degrees to 236.000 degrees C. Solids and gases carried ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ Test file for CHIM-XPT. Boil Broadlands Water Water similar to Broadlands Well No. 2 CHIMRUN demo-2a ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ Number of loops used = 13 Loop limit = 200 Temperature = 236.00 C Pressure = 31.54 bar Mixer fraction = 0.0000000 Total current enthalpy = 296.5306 KCAL Water: Moles liquid = 0.4893E+02 kg liquid = 0.8815E+00 Moles total = 0.5551E+02 kg total = 0.1000E+01 Activity = 0.9999 Stoichiometric ionic strength = .4183427E-01 Osmotic coef. = 0.9035 True ionic strength = .3652452E-01 Chg. balance for total moles = 0.2402E-07 Max. difference allowed = 0.3072E-05 Log Log Log Species(n) Molality Molality Activity Activity Gamma Gamma 1 H+ 0.20188E-06 -6.6949 0.14592E-06 -6.8359 0.72278E+00 -0.1410 2 H2O 0.99986E+00 -0.0001 0.99986E+00 -0.0001 3 Cl- 0.33555E-01 -1.4742 0.23917E-01 -1.6213 0.71276E+00 -0.1471 4 SO4-- 0.83031E-07 -7.0808 0.23482E-07 -7.6293 0.28281E+00 -0.5485 5 HCO3- 0.20453E-02 -2.6892 0.14668E-02 -2.8336 0.71713E+00 -0.1444 6 HS- 0.51460E-03 -3.2885 0.36703E-03 -3.4353 0.71323E+00 -0.1468 7 H4SiO4 0.58150E-02 -2.2355 0.58150E-02 -2.2355 0.10000E+01 0.0000 8 Al+++ 0.17097E-21 -21.7671 0.97670E-23 -23.0102 0.57126E-01 -1.2432 9 Ca++ 0.19775E-04 -4.7039 0.54660E-05 -5.2623 0.27641E+00 -0.5584 10 Mg++ 0.48841E-07 -7.3112 0.13268E-07 -7.8772 0.27166E+00 -0.5660 11 Fe++ 0.56191E-10 -10.2503 0.15330E-10 -10.8145 0.27282E+00 -0.5641 12 K+ 0.41880E-02 -2.3780 0.30084E-02 -2.5217 0.71833E+00 -0.1437 13 Na+ 0.32257E-01 -1.4914 0.22999E-01 -1.6383 0.71301E+00 -0.1469 14 Mn++ 0.28475E-09 -9.5455 0.77935E-10 -10.1083 0.27369E+00 -0.5627 15 Zn++ 0.13955E-13 -13.8553 0.38073E-14 -14.4194 0.27282E+00 -0.5641 16 Cu+ 0.24232E-12 -12.6156 0.17274E-12 -12.7626 0.71286E+00 -0.1470 17 Pb++ 0.65954E-13 -13.1808 0.18425E-13 -13.7346 0.27936E+00 -0.5538 18 Hg++ 0.65281E-34 -34.1852 0.18146E-34 -34.7412 0.27796E+00 -0.5560 19 F- 0.26292E-03 -3.5802 0.18527E-03 -3.7322 0.70468E+00 -0.1520 21 HSiO3- 0.56862E-04 -4.2452 0.40529E-04 -4.3922 0.71276E+00 -0.1471 22 Ca(HSiO3)+ 0.13995E-06 -6.8540 0.10061E-06 -6.9974 0.71889E+00 -0.1433 23 Mg(HSiO3)+ 0.24854E-09 -9.6046 0.17868E-09 -9.7479 0.71889E+00 -0.1433 24 NaHSiO3,aq 0.11358E-04 -4.9447 0.11358E-04 -4.9447 0.10000E+01 0.0000 27 HAlO2,aq 0.74805E-08 -8.1261 0.74805E-08 -8.1261 0.10000E+01 0.0000 28 AlO2- 0.24795E-05 -5.6056 0.17504E-05 -5.7569 0.70595E+00 -0.1512 29 CH4,aq 0.28436E-04 -4.5461 0.28080E-04 -4.5516 0.98746E+00 -0.0055 34 CO,aq 0.15616E-07 -7.8064 0.15616E-07 -7.8064 0.10000E+01 0.0000 35 CO2,aq 0.73049E-02 -2.1364 0.72133E-02 -2.1419 0.98746E+00 -0.0055 36 CO3-2 0.64979E-06 -6.1872 0.18242E-06 -6.7389 0.28073E+00 -0.5517 37 CaCO3,aq 0.10276E-05 -5.9882 0.10276E-05 -5.9882 0.10000E+01 0.0000 38 Ca(HCO3)+ 0.76058E-05 -5.1189 0.54678E-05 -5.2622 0.71889E+00 -0.1433 39 CaCl+ 0.86691E-05 -5.0620 0.62322E-05 -5.2054 0.71889E+00 -0.1433 40 CaCl2,aq 0.10014E-06 -6.9994 0.10014E-06 -6.9994 0.10000E+01 0.0000 41 CaF+ 0.68618E-06 -6.1636 0.49329E-06 -6.3069 0.71889E+00 -0.1433 42 CaOH+ 0.23987E-05 -5.6200 0.17244E-05 -5.7634 0.71889E+00 -0.1433 43 CaSO4,aq 0.10684E-08 -8.9713 0.10684E-08 -8.9713 0.10000E+01 0.0000 44 HCl,aq 0.58251E-08 -8.2347 0.58251E-08 -8.2347 0.10000E+01 0.0000 53 CuCl,aq 0.34276E-10 -10.4650 0.34276E-10 -10.4650 0.10000E+01 0.0000 54 CuCl2- 0.24026E-10 -10.6193 0.17125E-10 -10.7664 0.71276E+00 -0.1471 61 HF,aq 0.50005E-05 -5.3010 0.50005E-05 -5.3010 0.10000E+01 0.0000 62 HF2- 0.39980E-09 -9.3982 0.28496E-09 -9.5452 0.71276E+00 -0.1471 64 FeCl+ 0.16316E-10 -10.7874 0.11729E-10 -10.9307 0.71889E+00 -0.1433 69 FeO,aq 0.44498E-09 -9.3517 0.44498E-09 -9.3517 0.10000E+01 0.0000 70 FeOH+ 0.44798E-09 -9.3487 0.32205E-09 -9.4921 0.71889E+00 -0.1433 71 HFeO2- 0.16215E-09 -9.7901 0.11557E-09 -9.9371 0.71276E+00 -0.1471 74 FeO2- 0.14696E-09 -9.8328 0.10475E-09 -9.9799 0.71276E+00 -0.1471 75 HFeO2,aq 0.50754E-10 -10.2945 0.50754E-10 -10.2945 0.10000E+01 0.0000 76 H2,aq 0.52354E-04 -4.2811 0.51697E-04 -4.2865 0.98746E+00 -0.0055 77 Hg,aq 0.11696E-09 -9.9320 0.11549E-09 -9.9374 0.98746E+00 -0.0055 90 KCl,aq 0.26929E-04 -4.5698 0.26929E-04 -4.5698 0.10000E+01 0.0000 92 KOH,aq 0.44018E-06 -6.3564 0.44018E-06 -6.3564 0.10000E+01 0.0000 93 KSO4- 0.18314E-07 -7.7372 0.13053E-07 -7.8843 0.71276E+00 -0.1471 94 MgCO3,aq 0.29468E-09 -9.5307 0.29468E-09 -9.5307 0.10000E+01 0.0000 95 Mg(HCO3)+ 0.17053E-07 -7.7682 0.12259E-07 -7.9115 0.71889E+00 -0.1433 96 MgCl+ 0.10610E-07 -7.9743 0.76273E-08 -8.1176 0.71889E+00 -0.1433 97 MgF+ 0.46222E-08 -8.3352 0.33229E-08 -8.4785 0.71889E+00 -0.1433 98 MgOH+ 0.18494E-07 -7.7330 0.13295E-07 -7.8763 0.71889E+00 -0.1433 101 MnO,aq 0.67393E-10 -10.1714 0.67393E-10 -10.1714 0.10000E+01 0.0000 102 MnOH+ 0.32898E-09 -9.4828 0.23650E-09 -9.6262 0.71889E+00 -0.1433 107 MnCl+ 0.14310E-08 -8.8444 0.10288E-08 -8.9877 0.71889E+00 -0.1433 109 NaCl,aq 0.12605E-02 -2.8995 0.12605E-02 -2.8995 0.10000E+01 0.0000 110 NaF,aq 0.79683E-05 -5.0986 0.79683E-05 -5.0986 0.10000E+01 0.0000 111 NaOH,aq 0.22070E-05 -5.6562 0.22070E-05 -5.6562 0.10000E+01 0.0000 113 OH- 0.64607E-04 -4.1897 0.45609E-04 -4.3409 0.70595E+00 -0.1512 122 PbO,aq 0.16925E-10 -10.7715 0.16925E-10 -10.7715 0.10000E+01 0.0000 124 Pb(HS)2,aq 0.12009E-07 -7.9205 0.12009E-07 -7.9205 0.10000E+01 0.0000 125 Pb(HS)3- 0.20451E-09 -9.6893 0.14577E-09 -9.8363 0.71276E+00 -0.1471 126 H2S,aq 0.65305E-03 -3.1851 0.64486E-03 -3.1905 0.98746E+00 -0.0055 127 S2-2 0.14191E-09 -9.8480 0.39839E-10 -10.3997 0.28073E+00 -0.5517 134 HSO3- 0.15805E-10 -10.8012 0.11265E-10 -10.9483 0.71276E+00 -0.1471 135 HSO4- 0.51246E-09 -9.2903 0.36947E-09 -9.4324 0.72098E+00 -0.1421 153 ZnO,aq 0.10428E-10 -10.9818 0.10428E-10 -10.9818 0.10000E+01 0.0000 154 ZnOH+ 0.13075E-09 -9.8836 0.93995E-10 -10.0269 0.71889E+00 -0.1433 159 AlF3,aq 0.31691E-10 -10.4991 0.31691E-10 -10.4991 0.10000E+01 0.0000 160 AlF4- 0.27522E-10 -10.5603 0.19617E-10 -10.7074 0.71276E+00 -0.1471 164 Cu(HS)2- 0.67634E-07 -7.1698 0.48207E-07 -7.3169 0.71276E+00 -0.1471 166 CuH4S3-b 0.82538E-10 -10.0833 0.58830E-10 -10.2304 0.71276E+00 -0.1471 180 MnCl2,aq 0.70963E-09 -9.1490 0.70963E-09 -9.1490 0.10000E+01 0.0000 181 MnCl3- 0.11947E-09 -9.9227 0.85156E-10 -10.0698 0.71276E+00 -0.1471 182 MnCO3,aq 0.13845E-09 -9.8587 0.13845E-09 -9.8587 0.10000E+01 0.0000 183 NaCO3- 0.34643E-06 -6.4604 0.24692E-06 -6.6074 0.71276E+00 -0.1471 184 NaHCO3,aq 0.63354E-04 -4.1982 0.63354E-04 -4.1982 0.10000E+01 0.0000 185 NaHS,aq 0.15853E-04 -4.7999 0.15853E-04 -4.7999 0.10000E+01 0.0000 186 NaSO4- 0.30229E-07 -7.5196 0.21546E-07 -7.6666 0.71276E+00 -0.1471 187 PbCO3,aq 0.28830E-09 -9.5402 0.28830E-09 -9.5402 0.10000E+01 0.0000 188 PbOH+ 0.64589E-10 -10.1898 0.46433E-10 -10.3332 0.71889E+00 -0.1433 193 Zn(HS)2,aq 0.16896E-07 -7.7722 0.16896E-07 -7.7722 0.10000E+01 0.0000 194 Zn(HS)3- 0.31299E-09 -9.5045 0.22309E-09 -9.6515 0.71276E+00 -0.1471 Charge balance for all species = 0.2725E-07 Component Molality Aq.molality ppm log[A(N)/A(H+)**Z] (total) 1 H+ 0.2018841E-06 0.7800129E-02 0.7836713E+01 0.0000 2 H2O 0.1000000E+01 0.5550103E+02 0.9966440E+06 0.0000 3 Cl- 0.3355523E-01 0.3485154E-01 0.1231608E+04 5.2146 4 SO4-- 0.8303124E-07 -.4139556E-04 -.3963703E+01 6.0425 5 HCO3- 0.2045324E-02 0.9451727E-02 0.5748585E+03 4.0023 6 HS- 0.5145999E-03 0.1225223E-02 0.4038992E+02 3.4006 7 H4SiO4 0.5814996E-02 0.5883356E-02 0.5636579E+03 -2.2355 8 Al+++ 0.1709733E-21 0.2487064E-05 0.6688837E-01 -2.5026 9 Ca++ 0.1977496E-04 0.4040351E-04 0.1614071E+01 8.4095 10 Mg++ 0.4884135E-07 0.1001713E-06 0.2427514E-02 5.7946 11 Fe++ 0.5619070E-10 0.1328552E-08 0.7395645E-04 2.8573 12 K+ 0.4188015E-02 0.4215402E-02 0.1642992E+03 4.3142 13 Na+ 0.3225656E-01 0.3361817E-01 0.7703830E+03 5.1976 14 Mn++ 0.2847530E-09 0.3086475E-08 0.1690180E-03 3.5635 15 Zn++ 0.1395513E-13 0.1735761E-07 0.1131008E-02 -0.7476 16 Cu+ 0.2423221E-12 0.6777877E-07 0.4292777E-02 -5.9267 17 Pb++ 0.6595372E-13 0.1259277E-07 0.2600684E-02 -0.0628 18 Hg++ 0.6528118E-34 0.1176215E-09 0.2351763E-04 -21.0694 19 F- 0.2629171E-03 0.2765777E-03 0.5237482E+01 3.1037 Component Tot moles Aq. moles Solid moles Gas moles 1 H+ 0.1822172E+00 0.6875486E-02 -.4930117E-06 0.1753422E+00 2 H2O 0.5550825E+02 0.4892183E+02 -.5338461E-02 0.6591764E+01 3 Cl- 0.3072017E-01 0.3072017E-01 0.0000000E+00 0.9864796E-09 4 SO4-- -.4257700E-02 -.3648845E-04 0.6574915E-10 -.4221212E-02 5 HCO3- 0.1832100E+00 0.8331301E-02 0.0000000E+00 0.1748787E+00 6 HS- 0.9985820E-02 0.1079982E-02 0.2038224E-08 0.8905835E-02 7 H4SiO4 0.7855346E-02 0.5185931E-02 0.2669415E-02 0.0000000E+00 8 Al+++ 0.2253680E-05 0.2192243E-05 0.6143744E-07 0.0000000E+00 9 Ca++ 0.3561400E-04 0.3561400E-04 0.0000000E+00 0.0000000E+00 10 Mg++ 0.2355503E-06 0.8829683E-07 0.1472534E-06 0.0000000E+00 11 Fe++ 0.8017372E-08 0.1171063E-08 0.6846309E-08 0.0000000E+00 12 K+ 0.3715700E-02 0.3715700E-02 0.0000000E+00 0.0000000E+00 13 Na+ 0.2963300E-01 0.2963300E-01 0.0000000E+00 0.0000000E+00 14 Mn++ 0.2740424E-08 0.2720598E-08 0.1982595E-10 0.0000000E+00 15 Zn++ 0.1530000E-07 0.1530000E-07 0.0000000E+00 0.0000000E+00 16 Cu+ 0.6237410E-07 0.5974413E-07 0.2629966E-08 0.0000000E+00 17 Pb++ 0.1110000E-07 0.1110000E-07 0.0000000E+00 0.0000000E+00 18 Hg++ 0.4000000E-08 0.1036784E-09 0.0000000E+00 0.3896322E-08 19 F- 0.2439100E-03 0.2437916E-03 0.0000000E+00 0.1183950E-06 Chg. balance for solid moles: -.2654E-16 Mass of aqueous solution: 0.884309E+03 g Temperature = 236.00 C Pressure = 31.54 bar Mixer frac. = 0.0000000 Log Log Vol Gas or mineral Moles Moles Grams Grams Wt.% (cm3) H2O,gas 6.756 0.830 121.7 2.085 93.99 7700. CO2,gas 0.1720 -0.765 7.569 0.879 5.847 242.4 CH4,gas 0.2898E-02 -2.538 0.4648E-01 -1.333 0.3590E-01 4.454 H2,gas 0.5293E-02 -2.276 0.1069E-01 -1.971 0.8259E-02 7.193 H2S,gas 0.4685E-02 -2.329 0.1597 -0.797 0.1233 5.987 CO,gas 0.1359E-05 -5.867 0.3806E-04 -4.420 0.2940E-04 0.1824E-02 SO2,gas 0.1801E-12 -12.745 0.1154E-10 -10.938 0.8912E-11 0.2417E-09 HF,gas 0.1184E-06 -6.927 0.2368E-05 -5.626 0.1829E-05 0.1589E-03 HCl,gas 0.9865E-09 -9.006 0.3597E-07 -7.444 0.2778E-07 0.1324E-05 Hg,gas 0.3896E-08 -8.409 0.7816E-06 -6.107 0.6037E-06 0.5230E-05 clinochlore 0.2945E-07 -7.531 0.1637E-04 -4.786 0.1021E-01 0.6227E-05 daphnite 0.1264E-08 -8.898 0.9019E-06 -6.045 0.5623E-03 0.2733E-06 chlorite-Mn 0.3965E-11 -11.402 0.2811E-08 -8.551 0.1753E-05 0.8959E-09 quartz 0.2669E-02 -2.574 0.1604 -0.795 99.99 0.6056E-01 bornite 0.5260E-09 -9.279 0.2639E-06 -6.578 0.1646E-03 0.5193E-07 Partial press. Fugacity coef Log fugacity Gas or Mineral Mole fraction or activity Activity coef Log activity H2O,gas 0.9734E+00 0.3070E+02 0.8726 1.428 CO2,gas 0.2478E-01 0.7814E+00 1.0039 -0.105 CH4,gas 0.4175E-03 0.1317E-01 1.1260 -1.829 H2,gas 0.7627E-03 0.2405E-01 1.0123 -1.614 H2S,gas 0.6750E-03 0.2129E-01 0.9521 -1.693 CO,gas 0.1958E-06 0.6174E-05 1.0000 -5.209 SO2,gas 0.2595E-13 0.8183E-12 1.0000 -12.087 HF,gas 0.1706E-07 0.5380E-06 1.0000 -6.269 HCl,gas 0.1421E-09 0.4482E-08 1.0000 -8.349 Hg,gas 0.5614E-09 0.1770E-07 1.0000 -7.752 clinochlore 0.9587E+00 0.9587E+00 1.0000 -0.018 daphnite 0.4115E-01 0.4115E-01 1.0000 -1.386 chlorite-Mn 0.1291E-03 0.1291E-03 1.0000 -3.889 quartz 0.1000E+01 0.1000E+01 1.0000 0.000 bornite 0.1000E+01 0.1000E+01 1.0000 0.000 Current weight percent of gas: 12.767563 % Solid products produced: Mass = 0.160390 g Volume = 0.060570 cm3 WARNING: mineral volume may be in error because some mineral densities were not supplied in SOLTHERM. See mineral list in file Skip_Species.txt. NON-Ideal mixing with H2O, CO2, CH4 Gases ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ The following gases and minerals are presently in matrix or were just added Gas or Mineral Log K Log Q Log(Q/K) Log(Q/K)/S Affinity Log Fugacity 1 H2O,gas 0.07 0.07 -0.00 -0.000 0.17950E-08 2 CO2,gas -8.07 -8.07 0.00 0.000 -0.60009E-09 3 CH4,gas 4.69 4.69 0.00 0.000 -0.17340E-08 4 H2,gas 5.87 5.87 0.00 0.000 -0.14692E-09 5 H2S,gas -7.08 -7.08 -0.00 -0.000 0.56491E-09 6 CO,gas -0.20 -0.20 -0.00 -0.000 0.10346E-11 7 SO2,gas -4.96 -4.96 -0.00 -0.000 0.20693E-11 8 HF,gas -2.80 -2.80 0.00 0.000 -0.41385E-11 9 HCl,gas 1.39 1.39 -0.00 -0.000 0.36212E-11 10 Hg,gas -9.06 -9.06 -0.00 -0.000 0.12416E-10 43 clinochlore 17.35 17.35 0.00 0.000 -0.82771E-11 44 daphnite 9.50 9.50 -0.00 -0.000 0.45524E-10 45 chlorite-Mn 25.55 25.55 0.00 0.000 0.00000E+00 146 quartz -2.24 -2.24 0.00 0.000 0.00000E+00 198 bornite -69.24 -69.24 0.00 0.000 0.00000E+00 The following gases and minerals are presently EXCLUDED from matrix (Gases and minerals with log(Q/K) less than -5 are not listed below) Gas or Mineral Log K Log Q Log(Q/K) Log(Q/K)/S Affinity Log Fugacity 11 acmite 5.13 2.21 -2.93 -0.304 0.68171E+04 15 albite-high -2.96 -4.01 -1.05 -0.081 0.24535E+04 16 albite -3.51 -4.01 -0.50 -0.038 0.11644E+04 20 analcite -0.54 -1.78 -1.23 -0.137 0.28703E+04 21 andalusite -4.11 -7.24 -3.13 -0.313 0.73019E+04 22 andradite 24.54 21.48 -3.06 -0.159 0.71309E+04 23 grossular 15.35 13.52 -1.84 -0.092 0.42792E+04 24 anhydrite -8.10 -12.89 -4.79 -2.397 0.11171E+05 25 ankerite -5.62 -8.07 -2.45 -0.408 0.57046E+04 26 annite 8.44 3.68 -4.76 -0.265 0.11097E+05 27 phlogopite 13.83 12.49 -1.34 -0.074 0.31176E+04 29 anorthite 0.66 -1.07 -1.73 -0.133 0.40315E+04 32 aragonite -0.93 -1.26 -0.33 -0.110 0.76713E+03 33 brucite 8.57 5.79 -2.77 -0.555 0.64649E+04 34 calcite -1.08 -1.26 -0.18 -0.059 0.41170E+03 35 carnegieite-low 3.54 0.46 -3.08 -0.441 0.71857E+04 36 carnegieite-high 4.11 0.46 -3.65 -0.522 0.85073E+04 37 carpholite-Mg -1.31 -3.68 -2.37 -0.158 0.55248E+04 38 carpholite-Fe -2.77 -6.62 -3.85 -0.256 0.89608E+04 39 celadonite 0.71 -1.34 -2.05 -0.121 0.47747E+04 40 celadonite-Fe -0.58 -4.27 -3.69 -0.217 0.86074E+04 41 chrysotile 15.10 12.91 -2.19 -0.182 0.51006E+04 46 chlorite-Al-free 29.89 25.83 -4.07 -0.170 0.94778E+04 47 chloritoid-Mg 1.48 -1.45 -2.92 -0.195 0.68070E+04 48 chloritoid-Fe -1.41 -4.38 -2.97 -0.198 0.69182E+04 49 chloritoid-Mn 0.80 -3.68 -4.47 -0.298 0.10420E+05 51 coesite -1.76 -2.24 -0.47 -0.157 0.10972E+04 56 corundum -1.58 -5.01 -3.43 -0.312 0.79846E+04 58 cristobalite -2.01 -2.24 -0.23 -0.076 0.52959E+03 61 cymrite-K -1.48 -4.89 -3.42 -0.285 0.79651E+04 63 diaspore -1.27 -2.50 -1.23 -0.205 0.28693E+04 64 diamond -1.91 -4.15 -2.24 -0.640 0.52187E+04 65 diopside 10.13 9.73 -0.39 -0.039 0.91633E+03 66 hedenbergite 8.56 6.80 -1.77 -0.177 0.41180E+04 67 dolomite,ordered -3.55 -5.14 -1.59 -0.264 0.36973E+04 68 eastonite 8.35 3.92 -4.43 -0.170 0.10320E+05 69 enstatite 10.06 7.12 -2.95 -0.295 0.68624E+04 70 clinoenstatite-HiP 10.87 7.12 -3.75 -0.375 0.87475E+04 71 clinoenstatite 10.00 7.12 -2.88 -0.288 0.67045E+04 72 protoenstatite 10.41 7.12 -3.29 -0.329 0.76693E+04 73 epidote 8.27 6.59 -1.68 -0.082 0.39163E+04 74 clinozoisite 4.43 2.60 -1.83 -0.083 0.42589E+04 75 epidote-Fe 14.58 10.57 -4.02 -0.209 0.93590E+04 76 fayalite 7.58 3.48 -4.10 -0.586 0.95574E+04 77 ferrosilite 5.46 1.24 -4.21 -0.421 0.98160E+04 78 forsterite 12.82 9.35 -3.46 -0.495 0.80653E+04 81 gibbsite 0.07 -2.50 -2.58 -0.368 0.60000E+04 82 glaucophane 8.35 4.89 -3.46 -0.093 0.80558E+04 84 goethite 3.63 1.48 -2.15 -0.465 0.50141E+04 85 graphite -2.30 -4.15 -1.86 -0.531 0.43272E+04 88 halite 1.03 -3.26 -4.29 -2.144 0.99889E+04 89 hematite 6.42 2.96 -3.46 -0.419 0.80622E+04 90 heulandite -11.60 -12.24 -0.64 -0.029 0.14974E+04 94 jadeite 0.35 -1.78 -2.13 -0.213 0.49519E+04 96 kalsilite 2.67 -0.42 -3.09 -0.441 0.71999E+04 97 kaolinite -7.31 -9.48 -2.16 -0.197 0.50437E+04 98 kyanite -4.07 -7.24 -3.17 -0.317 0.73962E+04 100 laumontite -4.63 -5.54 -0.91 -0.060 0.21123E+04 101 lawsonite 0.36 -1.07 -1.43 -0.095 0.33338E+04 102 leucite -0.18 -2.66 -2.48 -0.248 0.57718E+04 104 lizardite 14.81 12.91 -1.90 -0.158 0.44212E+04 105 magnesite -1.79 -3.87 -2.08 -0.693 0.48468E+04 106 magnetite 10.54 5.81 -4.72 -0.386 0.11004E+05 107 minnesotaite 4.25 -0.37 -4.62 -0.272 0.10771E+05 108 minnesotaite-Mg 12.00 8.44 -3.55 -0.209 0.82790E+04 112 margarite -2.68 -6.07 -3.40 -0.136 0.79115E+04 115 microcline -4.73 -4.89 -0.17 -0.013 0.39105E+03 116 monticellite 16.04 11.97 -4.08 -0.582 0.94970E+04 118 mullite-Si -2.57 -7.24 -4.67 -0.467 0.10880E+05 119 muscovite -7.96 -9.90 -1.94 -0.114 0.45087E+04 120 paragonite -6.95 -9.02 -2.06 -0.121 0.48049E+04 121 nepheline 3.01 0.46 -2.55 -0.365 0.59471E+04 126 periclase 10.56 5.79 -4.77 -1.191 0.11102E+05 127 periclase-Fe 7.13 2.86 -4.28 -1.069 0.99626E+04 133 phlogopite-Na 15.41 13.37 -2.04 -0.113 0.47443E+04 135 prehnite 6.07 5.11 -0.96 -0.057 0.22432E+04 136 prehnite-Fe 10.70 9.09 -1.61 -0.097 0.37549E+04 137 pumpellyite-Fe 14.32 10.57 -3.75 -0.083 0.87344E+04 138 pumpellyite-Mg 16.37 13.51 -2.86 -0.064 0.66665E+04 140 px-Ca-tschermaks 5.38 1.17 -4.21 -0.301 0.98067E+04 141 pyrite -19.52 -20.44 -0.92 -0.216 0.21402E+04 142 pyrrhotite -5.70 -7.41 -1.71 -0.571 0.39911E+04 143 pyrrhotiteFe0.875 -6.89 -8.11 -1.22 -0.449 0.28473E+04 144 pyroxmangite 4.60 1.33 -3.28 -0.655 0.76324E+04 145 pyrophyllite -11.58 -13.95 -2.37 -0.148 0.55161E+04 151 rhodochrosite -2.52 -6.11 -3.58 -1.195 0.83516E+04 152 rhodonite 4.62 1.33 -3.29 -0.659 0.76722E+04 153 sanidine -3.84 -4.89 -1.05 -0.081 0.24579E+04 155 siderite -4.26 -6.81 -2.55 -0.851 0.59492E+04 156 sillimanite -3.95 -7.24 -3.29 -0.329 0.76598E+04 163 stilbite -10.70 -12.24 -1.55 -0.074 0.36074E+04 165 stilpnomelane-Mg 9.14 8.24 -0.90 -0.027 0.20860E+04 166 stishovite 2.19 -2.24 -4.42 -1.475 0.10307E+05 168 sudoite -0.14 -5.13 -4.99 -0.161 0.11619E+05 169 sulfur -8.73 -13.03 -4.30 -1.323 0.10019E+05 171 talc 9.05 8.44 -0.61 -0.036 0.14208E+04 173 talc-tschermaks 4.33 -0.12 -4.45 -0.262 0.10378E+05 178 topaz-H -3.33 -7.24 -3.91 -0.356 0.91208E+04 179 tridymite -2.03 -2.24 -0.20 -0.067 0.46817E+03 180 tremolite 28.48 27.91 -0.57 -0.015 0.13207E+04 182 troilite-low -5.73 -7.41 -1.68 -0.560 0.39125E+04 183 tschermakite 15.75 10.78 -4.97 -0.134 0.11574E+05 188 wairakite -4.92 -5.54 -0.61 -0.036 0.14294E+04 189 walstromite 7.90 6.17 -1.73 -0.346 0.40258E+04 190 wollastonite 7.15 6.17 -0.97 -0.195 0.22686E+04 191 pseudo-wollastonite 7.48 6.17 -1.30 -0.260 0.30335E+04 192 zoisite 4.47 2.60 -1.86 -0.085 0.43410E+04 193 beidellite-Ca -9.66 -12.65 -2.98 -0.185 0.69511E+04 194 beidellite-H -10.01 -14.03 -4.02 -0.257 0.93731E+04 195 beidellite-K -9.08 -12.61 -3.53 -0.216 0.82337E+04 196 beidellite-Mg -9.90 -13.08 -3.18 -0.197 0.74102E+04 197 beidellite-Na -9.02 -12.32 -3.30 -0.202 0.76858E+04 200 chalcedony -2.10 -2.24 -0.14 -0.046 0.32132E+03 201 chalcocite -20.71 -22.12 -1.42 -0.354 0.33022E+04 202 covellite -15.54 -17.58 -2.03 -0.775 0.47372E+04 204 montmorillonite-Ca -8.04 -9.82 -1.78 -0.110 0.41578E+04 205 montmorillonite-K -7.57 -9.78 -2.21 -0.136 0.51589E+04 206 montmorillonite-Mg -8.29 -10.25 -1.96 -0.121 0.45609E+04 207 montmorillonite-Na -7.43 -9.49 -2.06 -0.126 0.48044E+04 209 nontronite-Ca -1.15 -4.68 -3.54 -0.230 0.82423E+04 210 nontronite-H -1.50 -6.07 -4.57 -0.306 0.10654E+05 211 nontronite-K -0.56 -4.65 -4.09 -0.262 0.95222E+04 212 nontronite-Mg -1.38 -5.12 -3.74 -0.242 0.87083E+04 213 nontronite-Na -0.50 -4.36 -3.85 -0.247 0.89793E+04 229 tobermorite 8.25 4.77 -3.48 -0.948 0.80977E+04 235 alabandite -2.92 -6.71 -3.79 -1.262 0.88210E+04 240 boehmite -0.37 -2.50 -2.13 -0.355 0.49640E+04 242 chalcopyrite -24.49 -24.99 -0.50 -0.093 0.11647E+04 245 copper,native -1.11 -4.55 -3.44 -1.195 0.80034E+04 246 dolomite,disordered -3.20 -5.14 -1.94 -0.323 0.45102E+04 247 ferrous-oxide 5.75 2.86 -2.90 -0.724 0.67455E+04 248 fluorite -11.31 -12.73 -1.42 -0.473 0.33032E+04 249 galena -10.16 -10.33 -0.17 -0.058 0.40417E+03 257 silica-amorphous -1.70 -2.24 -0.54 -0.179 0.12498E+04 260 sphalerite -10.06 -11.02 -0.96 -0.320 0.22386E+04 261 wurtzite -8.72 -11.02 -2.30 -0.767 0.53600E+04 263 an20ab80 -2.89 -3.42 -0.53 -0.041 0.12316E+04 264 an25ab75 -2.71 -3.27 -0.56 -0.043 0.13114E+04 265 an30ab70 -2.52 -3.13 -0.60 -0.046 0.14062E+04 266 tr.625ac.25prg.125 24.42 23.78 -0.64 -0.017 0.14802E+04 271 FeS-amorphous -4.01 -7.41 -3.40 -1.134 0.79262E+04 Calculations done for 236.0000 Deg. C; 31.5352 bar Enthalpies: Pure water 4.3840 kcal/mole H2O,gas 12.0625 kcal/mole CO2,gas 3.0921 kcal/mole CH4,gas 2.9995 kcal/mole Current solution 214.5012 Gas 82.0294 kcal Total current enthalpy 296.5306 kcal Starting enthalpy 296.5306 kcal Temperature changed by -2.000 degrees to 234.000 degrees C. Solids and gases carried ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ Test file for CHIM-XPT. Boil Broadlands Water Water similar to Broadlands Well No. 2 CHIMRUN demo-2a ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ Number of loops used = 13 Loop limit = 200 Temperature = 234.00 C Pressure = 30.39 bar Mixer fraction = 0.0000000 Total current enthalpy = 296.5306 KCAL Water: Moles liquid = 0.4868E+02 kg liquid = 0.8769E+00 Moles total = 0.5551E+02 kg total = 0.1000E+01 Activity = 0.9999 Stoichiometric ionic strength = .4173760E-01 Osmotic coef. = 0.9044 True ionic strength = .3675025E-01 Chg. balance for total moles = 0.2402E-07 Max. difference allowed = 0.3072E-05 Log Log Log Species(n) Molality Molality Activity Activity Gamma Gamma 1 H+ 0.19592E-06 -6.7079 0.14184E-06 -6.8482 0.72399E+00 -0.1403 2 H2O 0.99987E+00 -0.0001 0.99987E+00 -0.0001 3 Cl- 0.33764E-01 -1.4715 0.24108E-01 -1.6178 0.71403E+00 -0.1463 4 SO4-- 0.91449E-07 -7.0388 0.26034E-07 -7.5845 0.28468E+00 -0.5456 5 HCO3- 0.20571E-02 -2.6867 0.14778E-02 -2.8304 0.71838E+00 -0.1436 6 HS- 0.51440E-03 -3.2887 0.36753E-03 -3.4347 0.71449E+00 -0.1460 7 H4SiO4 0.57047E-02 -2.2438 0.57047E-02 -2.2438 0.10000E+01 0.0000 8 Al+++ 0.17558E-21 -21.7555 0.10182E-22 -22.9922 0.57992E-01 -1.2366 9 Ca++ 0.20335E-04 -4.6918 0.56587E-05 -5.2473 0.27827E+00 -0.5555 10 Mg++ 0.49569E-07 -7.3048 0.13558E-07 -7.8678 0.27352E+00 -0.5630 11 Fe++ 0.53373E-10 -10.2727 0.14661E-10 -10.8338 0.27469E+00 -0.5612 12 K+ 0.42108E-02 -2.3756 0.30299E-02 -2.5186 0.71956E+00 -0.1429 13 Na+ 0.32458E-01 -1.4887 0.23184E-01 -1.6348 0.71427E+00 -0.1461 14 Mn++ 0.30244E-09 -9.5194 0.83341E-10 -10.0791 0.27556E+00 -0.5598 15 Zn++ 0.15168E-13 -13.8191 0.41666E-14 -14.3802 0.27469E+00 -0.5612 16 Cu+ 0.22106E-12 -12.6555 0.15786E-12 -12.8017 0.71412E+00 -0.1462 17 Pb++ 0.68348E-13 -13.1653 0.19221E-13 -13.7162 0.28122E+00 -0.5510 18 Hg++ 0.54205E-34 -34.2660 0.15168E-34 -34.8191 0.27982E+00 -0.5531 19 F- 0.26490E-03 -3.5769 0.18702E-03 -3.7281 0.70601E+00 -0.1512 21 HSiO3- 0.58451E-04 -4.2332 0.41736E-04 -4.3795 0.71403E+00 -0.1463 22 Ca(HSiO3)+ 0.14071E-06 -6.8517 0.10133E-06 -6.9943 0.72013E+00 -0.1426 23 Mg(HSiO3)+ 0.24849E-09 -9.6047 0.17894E-09 -9.7473 0.72013E+00 -0.1426 24 NaHSiO3,aq 0.11633E-04 -4.9343 0.11633E-04 -4.9343 0.10000E+01 0.0000 27 HAlO2,aq 0.75062E-08 -8.1246 0.75062E-08 -8.1246 0.10000E+01 0.0000 28 AlO2- 0.24921E-05 -5.6034 0.17626E-05 -5.7538 0.70726E+00 -0.1504 29 CH4,aq 0.25664E-04 -4.5907 0.25342E-04 -4.5962 0.98746E+00 -0.0055 34 CO,aq 0.13308E-07 -7.8759 0.13308E-07 -7.8759 0.10000E+01 0.0000 35 CO2,aq 0.67568E-02 -2.1703 0.66721E-02 -2.1757 0.98746E+00 -0.0055 36 CO3-2 0.69656E-06 -6.1570 0.19685E-06 -6.7059 0.28260E+00 -0.5488 37 CaCO3,aq 0.10545E-05 -5.9769 0.10545E-05 -5.9769 0.10000E+01 0.0000 38 Ca(HCO3)+ 0.74459E-05 -5.1281 0.53620E-05 -5.2707 0.72013E+00 -0.1426 39 CaCl+ 0.84937E-05 -5.0709 0.61165E-05 -5.2135 0.72013E+00 -0.1426 40 CaCl2,aq 0.95946E-07 -7.0180 0.95946E-07 -7.0180 0.10000E+01 0.0000 41 CaF+ 0.67141E-06 -6.1730 0.48350E-06 -6.3156 0.72013E+00 -0.1426 42 CaOH+ 0.23747E-05 -5.6244 0.17101E-05 -5.7670 0.72013E+00 -0.1426 43 CaSO4,aq 0.11434E-08 -8.9418 0.11434E-08 -8.9418 0.10000E+01 0.0000 44 HCl,aq 0.54165E-08 -8.2663 0.54165E-08 -8.2663 0.10000E+01 0.0000 53 CuCl,aq 0.31001E-10 -10.5086 0.31001E-10 -10.5086 0.10000E+01 0.0000 54 CuCl2- 0.21780E-10 -10.6619 0.15551E-10 -10.8082 0.71403E+00 -0.1463 61 HF,aq 0.46455E-05 -5.3330 0.46455E-05 -5.3330 0.10000E+01 0.0000 62 HF2- 0.37550E-09 -9.4254 0.26812E-09 -9.5717 0.71403E+00 -0.1463 64 FeCl+ 0.14836E-10 -10.8287 0.10684E-10 -10.9713 0.72013E+00 -0.1426 69 FeO,aq 0.40385E-09 -9.3938 0.40385E-09 -9.3938 0.10000E+01 0.0000 70 FeOH+ 0.41756E-09 -9.3793 0.30069E-09 -9.5219 0.72013E+00 -0.1426 71 HFeO2- 0.15096E-09 -9.8211 0.10779E-09 -9.9674 0.71403E+00 -0.1463 74 FeO2- 0.13573E-09 -9.8673 0.96913E-10 -10.0136 0.71403E+00 -0.1463 75 HFeO2,aq 0.47164E-10 -10.3264 0.47164E-10 -10.3264 0.10000E+01 0.0000 76 H2,aq 0.48385E-04 -4.3153 0.47778E-04 -4.3208 0.98746E+00 -0.0055 77 Hg,aq 0.10649E-09 -9.9727 0.10515E-09 -9.9782 0.98746E+00 -0.0055 90 KCl,aq 0.26059E-04 -4.5840 0.26059E-04 -4.5840 0.10000E+01 0.0000 92 KOH,aq 0.44035E-06 -6.3562 0.44035E-06 -6.3562 0.10000E+01 0.0000 93 KSO4- 0.19452E-07 -7.7110 0.13889E-07 -7.8573 0.71403E+00 -0.1463 94 MgCO3,aq 0.30116E-09 -9.5212 0.30116E-09 -9.5212 0.10000E+01 0.0000 95 Mg(HCO3)+ 0.16524E-07 -7.7819 0.11899E-07 -7.9245 0.72013E+00 -0.1426 96 MgCl+ 0.10339E-07 -7.9855 0.74453E-08 -8.1281 0.72013E+00 -0.1426 97 MgF+ 0.44801E-08 -8.3487 0.32262E-08 -8.4913 0.72013E+00 -0.1426 98 MgOH+ 0.18136E-07 -7.7415 0.13060E-07 -7.8840 0.72013E+00 -0.1426 101 MnO,aq 0.68513E-10 -10.1642 0.68513E-10 -10.1642 0.10000E+01 0.0000 102 MnOH+ 0.34166E-09 -9.4664 0.24604E-09 -9.6090 0.72013E+00 -0.1426 107 MnCl+ 0.14294E-08 -8.8449 0.10293E-08 -8.9875 0.72013E+00 -0.1426 109 NaCl,aq 0.12339E-02 -2.9087 0.12339E-02 -2.9087 0.10000E+01 0.0000 110 NaF,aq 0.77955E-05 -5.1082 0.77955E-05 -5.1082 0.10000E+01 0.0000 111 NaOH,aq 0.22169E-05 -5.6543 0.22169E-05 -5.6543 0.10000E+01 0.0000 113 OH- 0.65905E-04 -4.1811 0.46612E-04 -4.3315 0.70726E+00 -0.1504 122 PbO,aq 0.17438E-10 -10.7585 0.17438E-10 -10.7585 0.10000E+01 0.0000 124 Pb(HS)2,aq 0.12049E-07 -7.9191 0.12049E-07 -7.9191 0.10000E+01 0.0000 125 Pb(HS)3- 0.20069E-09 -9.6975 0.14330E-09 -9.8438 0.71403E+00 -0.1463 126 H2S,aq 0.60982E-03 -3.2148 0.60217E-03 -3.2203 0.98746E+00 -0.0055 127 S2-2 0.14092E-09 -9.8510 0.39824E-10 -10.3999 0.28260E+00 -0.5488 134 HSO3- 0.15091E-10 -10.8213 0.10776E-10 -10.9676 0.71403E+00 -0.1463 135 HSO4- 0.51171E-09 -9.2910 0.36955E-09 -9.4323 0.72220E+00 -0.1413 153 ZnO,aq 0.10949E-10 -10.9606 0.10949E-10 -10.9606 0.10000E+01 0.0000 154 ZnOH+ 0.13678E-09 -9.8640 0.98502E-10 -10.0066 0.72013E+00 -0.1426 159 AlF3,aq 0.24745E-10 -10.6065 0.24745E-10 -10.6065 0.10000E+01 0.0000 160 AlF4- 0.20618E-10 -10.6857 0.14722E-10 -10.8320 0.71403E+00 -0.1463 164 Cu(HS)2- 0.65686E-07 -7.1825 0.46902E-07 -7.3288 0.71403E+00 -0.1463 166 CuH4S3-b 0.85400E-10 -10.0685 0.60978E-10 -10.2148 0.71403E+00 -0.1463 180 MnCl2,aq 0.68227E-09 -9.1660 0.68227E-09 -9.1660 0.10000E+01 0.0000 181 MnCl3- 0.11505E-09 -9.9391 0.82149E-10 -10.0854 0.71403E+00 -0.1463 182 MnCO3,aq 0.15507E-09 -9.8095 0.15507E-09 -9.8095 0.10000E+01 0.0000 183 NaCO3- 0.37067E-06 -6.4310 0.26467E-06 -6.5773 0.71403E+00 -0.1463 184 NaHCO3,aq 0.62844E-04 -4.2017 0.62844E-04 -4.2017 0.10000E+01 0.0000 185 NaHS,aq 0.15629E-04 -4.8061 0.15629E-04 -4.8061 0.10000E+01 0.0000 186 NaSO4- 0.32587E-07 -7.4870 0.23268E-07 -7.6332 0.71403E+00 -0.1463 187 PbCO3,aq 0.31601E-09 -9.5003 0.31601E-09 -9.5003 0.10000E+01 0.0000 188 PbOH+ 0.66207E-10 -10.1791 0.47677E-10 -10.3217 0.72013E+00 -0.1426 193 Zn(HS)2,aq 0.16972E-07 -7.7703 0.16972E-07 -7.7703 0.10000E+01 0.0000 194 Zn(HS)3- 0.32012E-09 -9.4947 0.22857E-09 -9.6410 0.71403E+00 -0.1463 Charge balance for all species = 0.2739E-07 Component Molality Aq.molality ppm log[A(N)/A(H+)**Z] (total) 1 H+ 0.1959177E-06 0.7206067E-02 0.7240039E+01 0.0000 2 H2O 0.1000000E+01 0.5550157E+02 0.9966777E+06 0.0000 3 Cl- 0.3376372E-01 0.3503237E-01 0.1238028E+04 5.2304 4 SO4-- 0.9144888E-07 -.3761800E-04 -.3602081E+01 6.1119 5 HCO3- 0.2057131E-02 0.8912020E-02 0.5420463E+03 4.0178 6 HS- 0.5143963E-03 0.1177799E-02 0.3882752E+02 3.4135 7 H4SiO4 0.5704673E-02 0.5774898E-02 0.5532804E+03 -2.2438 8 Al+++ 0.1755770E-21 0.2499675E-05 0.6722914E-01 -2.4476 9 Ca++ 0.2033509E-04 0.4061315E-04 0.1622485E+01 8.4491 10 Mg++ 0.4956863E-07 0.9960609E-07 0.2413874E-02 5.8286 11 Fe++ 0.5337338E-10 0.1226395E-08 0.6827131E-04 2.8625 12 K+ 0.4210756E-02 0.4237274E-02 0.1651557E+03 4.3296 13 Na+ 0.3245819E-01 0.3379260E-01 0.7743989E+03 5.2134 14 Mn++ 0.3024424E-09 0.3101249E-08 0.1698312E-03 3.6172 15 Zn++ 0.1516831E-13 0.1744767E-07 0.1136904E-02 -0.6838 16 Cu+ 0.2210577E-12 0.6582742E-07 0.4169289E-02 -5.9535 17 Pb++ 0.6834844E-13 0.1265811E-07 0.2614241E-02 -0.0198 18 Hg++ 0.5420549E-34 0.1071126E-09 0.2141695E-04 -21.1227 19 F- 0.2649002E-03 0.2780180E-03 0.5264884E+01 3.1201 Component Tot moles Aq. moles Solid moles Gas moles 1 H+ 0.1822172E+00 0.6319058E-02 -.4962346E-06 0.1758987E+00 2 H2O 0.5550825E+02 0.4866978E+02 -.5582212E-02 0.6844061E+01 3 Cl- 0.3072017E-01 0.3072017E-01 0.0000000E+00 0.9332458E-09 4 SO4-- -.4257700E-02 -.3298753E-04 0.1162378E-09 -.4224713E-02 5 HCO3- 0.1832100E+00 0.7815022E-02 0.0000000E+00 0.1753950E+00 6 HS- 0.9985820E-02 0.1032822E-02 0.3603370E-08 0.8952995E-02 7 H4SiO4 0.7855346E-02 0.5064055E-02 0.2791291E-02 0.0000000E+00 8 Al+++ 0.2253680E-05 0.2191985E-05 0.6169514E-07 0.0000000E+00 9 Ca++ 0.3561400E-04 0.3561400E-04 0.0000000E+00 0.0000000E+00 10 Mg++ 0.2355503E-06 0.8734538E-07 0.1482049E-06 0.0000000E+00 11 Fe++ 0.8017372E-08 0.1075436E-08 0.6941936E-08 0.0000000E+00 12 K+ 0.3715700E-02 0.3715700E-02 0.0000000E+00 0.0000000E+00 13 Na+ 0.2963300E-01 0.2963300E-01 0.0000000E+00 0.0000000E+00 14 Mn++ 0.2740424E-08 0.2719510E-08 0.2091362E-10 0.0000000E+00 15 Zn++ 0.1530000E-07 0.1530000E-07 0.0000000E+00 0.0000000E+00 16 Cu+ 0.6237410E-07 0.5772459E-07 0.4649510E-08 0.0000000E+00 17 Pb++ 0.1110000E-07 0.1110000E-07 0.0000000E+00 0.0000000E+00 18 Hg++ 0.4000000E-08 0.9392788E-10 0.0000000E+00 0.3906072E-08 19 F- 0.2439100E-03 0.2437963E-03 0.0000000E+00 0.1137401E-06 Chg. balance for solid moles: -.5847E-16 Mass of aqueous solution: 0.879723E+03 g Temperature = 234.00 C Pressure = 30.39 bar Mixer frac. = 0.0000000 Log Log Vol Gas or mineral Moles Moles Grams Grams Wt.% (cm3) H2O,gas 7.008 0.846 126.2 2.101 94.17 8291. CO2,gas 0.1725 -0.763 7.592 0.880 5.665 251.0 CH4,gas 0.2884E-02 -2.540 0.4626E-01 -1.335 0.3451E-01 4.567 H2,gas 0.5362E-02 -2.271 0.1083E-01 -1.965 0.8081E-02 7.527 H2S,gas 0.4728E-02 -2.325 0.1611 -0.793 0.1202 6.253 CO,gas 0.1280E-05 -5.893 0.3585E-04 -4.446 0.2674E-04 0.1775E-02 SO2,gas 0.1673E-12 -12.777 0.1072E-10 -10.970 0.7996E-11 0.2321E-09 HF,gas 0.1137E-06 -6.944 0.2275E-05 -5.643 0.1697E-05 0.1578E-03 HCl,gas 0.9332E-09 -9.030 0.3403E-07 -7.468 0.2539E-07 0.1295E-05 Hg,gas 0.3906E-08 -8.408 0.7835E-06 -6.106 0.5846E-06 0.5419E-05 clinochlore 0.2964E-07 -7.528 0.1648E-04 -4.783 0.9824E-02 0.6267E-05 daphnite 0.1202E-08 -8.920 0.8579E-06 -6.067 0.5115E-03 0.2600E-06 chlorite-Mn 0.4183E-11 -11.379 0.2965E-08 -8.528 0.1768E-05 0.9450E-09 quartz 0.2791E-02 -2.554 0.1677 -0.775 99.99 0.6333E-01 bornite 0.9299E-09 -9.032 0.4666E-06 -6.331 0.2782E-03 0.9180E-07 Partial press. Fugacity coef Log fugacity Gas or Mineral Mole fraction or activity Activity coef Log activity H2O,gas 0.9742E+00 0.2961E+02 0.8752 1.414 CO2,gas 0.2398E-01 0.7289E+00 1.0052 -0.135 CH4,gas 0.4009E-03 0.1218E-01 1.1234 -1.864 H2,gas 0.7454E-03 0.2265E-01 1.0119 -1.640 H2S,gas 0.6573E-03 0.1998E-01 0.9532 -1.720 CO,gas 0.1779E-06 0.5407E-05 1.0000 -5.267 SO2,gas 0.2326E-13 0.7068E-12 1.0000 -12.151 HF,gas 0.1581E-07 0.4806E-06 1.0000 -6.318 HCl,gas 0.1297E-09 0.3943E-08 1.0000 -8.404 Hg,gas 0.5430E-09 0.1650E-07 1.0000 -7.782 clinochlore 0.9609E+00 0.9609E+00 1.0000 -0.017 daphnite 0.3898E-01 0.3898E-01 1.0000 -1.409 chlorite-Mn 0.1356E-03 0.1356E-03 1.0000 -3.868 quartz 0.1000E+01 0.1000E+01 1.0000 0.000 bornite 0.1000E+01 0.1000E+01 1.0000 0.000 Current weight percent of gas: 13.219010 % Solid products produced: Mass = 0.167713 g Volume = 0.063336 cm3 WARNING: mineral volume may be in error because some mineral densities were not supplied in SOLTHERM. See mineral list in file Skip_Species.txt. NON-Ideal mixing with H2O, CO2, CH4 Gases ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ The following gases and minerals are presently in matrix or were just added Gas or Mineral Log K Log Q Log(Q/K) Log(Q/K)/S Affinity Log Fugacity 1 H2O,gas 0.07 0.07 -0.00 -0.000 0.13475E-08 2 CO2,gas -8.06 -8.06 0.00 0.000 -0.44933E-09 3 CH4,gas 4.67 4.67 0.00 0.000 -0.12965E-08 4 H2,gas 5.87 5.87 0.00 0.000 -0.10718E-09 5 H2S,gas -7.08 -7.08 -0.00 -0.000 0.42666E-09 6 CO,gas -0.18 -0.18 -0.00 -0.000 0.51528E-11 7 SO2,gas -4.90 -4.90 -0.00 -0.000 0.20611E-11 8 HF,gas -2.78 -2.78 -0.00 -0.000 0.20611E-11 9 HCl,gas 1.42 1.42 -0.00 -0.000 0.30917E-11 10 Hg,gas -9.11 -9.11 0.00 0.000 -0.16489E-10 43 clinochlore 17.60 17.60 0.00 0.000 -0.82446E-11 44 daphnite 9.73 9.73 -0.00 -0.000 0.16489E-10 45 chlorite-Mn 25.80 25.80 -0.00 -0.000 0.65956E-10 146 quartz -2.24 -2.24 0.00 0.000 0.00000E+00 198 bornite -69.41 -69.41 0.00 0.000 -0.32978E-10 The following gases and minerals are presently EXCLUDED from matrix (Gases and minerals with log(Q/K) less than -5 are not listed below) Gas or Mineral Log K Log Q Log(Q/K) Log(Q/K)/S Affinity Log Fugacity 11 acmite 5.16 2.21 -2.95 -0.306 0.68402E+04 15 albite-high -2.91 -3.97 -1.05 -0.081 0.24387E+04 16 albite -3.47 -3.97 -0.49 -0.038 0.11415E+04 20 analcite -0.50 -1.72 -1.22 -0.136 0.28384E+04 21 andalusite -4.00 -7.14 -3.14 -0.314 0.72920E+04 22 andradite 24.71 21.59 -3.12 -0.162 0.72351E+04 23 grossular 15.56 13.72 -1.84 -0.092 0.42665E+04 24 anhydrite -8.05 -12.83 -4.78 -2.392 0.11103E+05 25 ankerite -5.57 -8.05 -2.48 -0.413 0.57530E+04 26 annite 8.58 3.74 -4.84 -0.269 0.11230E+05 27 phlogopite 13.98 12.64 -1.34 -0.075 0.31167E+04 29 anorthite 0.81 -0.93 -1.74 -0.134 0.40400E+04 32 aragonite -0.90 -1.23 -0.33 -0.110 0.76340E+03 33 brucite 8.61 5.83 -2.79 -0.557 0.64631E+04 34 calcite -1.05 -1.23 -0.18 -0.059 0.40918E+03 35 carnegieite-low 3.61 0.52 -3.09 -0.441 0.71605E+04 36 carnegieite-high 4.18 0.52 -3.66 -0.523 0.84892E+04 37 carpholite-Mg -1.19 -3.55 -2.36 -0.157 0.54815E+04 38 carpholite-Fe -2.66 -6.52 -3.86 -0.257 0.89619E+04 39 celadonite 0.77 -1.26 -2.03 -0.120 0.47211E+04 40 celadonite-Fe -0.52 -4.23 -3.71 -0.218 0.86024E+04 41 chrysotile 15.20 13.00 -2.20 -0.184 0.51103E+04 46 chlorite-Al-free 30.09 26.00 -4.09 -0.170 0.94911E+04 47 chloritoid-Mg 1.61 -1.31 -2.92 -0.195 0.67871E+04 48 chloritoid-Fe -1.29 -4.28 -2.99 -0.199 0.69372E+04 49 chloritoid-Mn 0.92 -3.52 -4.44 -0.296 0.10313E+05 51 coesite -1.77 -2.24 -0.47 -0.158 0.10967E+04 56 corundum -1.46 -4.90 -3.44 -0.312 0.79745E+04 58 cristobalite -2.01 -2.24 -0.23 -0.076 0.53238E+03 61 cymrite-K -1.44 -4.85 -3.41 -0.284 0.79178E+04 63 diaspore -1.22 -2.45 -1.23 -0.204 0.28464E+04 64 diamond -1.92 -4.18 -2.26 -0.645 0.52348E+04 65 diopside 10.20 9.79 -0.41 -0.041 0.94119E+03 66 hedenbergite 8.63 6.82 -1.80 -0.180 0.41880E+04 67 dolomite,ordered -3.48 -5.08 -1.59 -0.266 0.37008E+04 68 eastonite 8.59 4.16 -4.43 -0.171 0.10291E+05 69 enstatite 10.15 7.17 -2.98 -0.298 0.69047E+04 70 clinoenstatite-HiP 10.96 7.17 -3.79 -0.379 0.87892E+04 71 clinoenstatite 10.08 7.17 -2.91 -0.291 0.67464E+04 72 protoenstatite 10.49 7.17 -3.32 -0.332 0.77136E+04 73 epidote 8.46 6.76 -1.70 -0.083 0.39525E+04 74 clinozoisite 4.65 2.82 -1.83 -0.083 0.42419E+04 75 epidote-Fe 14.77 10.69 -4.07 -0.211 0.94454E+04 76 fayalite 7.66 3.48 -4.17 -0.596 0.96874E+04 77 ferrosilite 5.52 1.24 -4.29 -0.429 0.99446E+04 78 forsterite 12.91 9.41 -3.49 -0.499 0.81085E+04 81 gibbsite 0.12 -2.45 -2.57 -0.367 0.59585E+04 82 glaucophane 8.52 5.07 -3.45 -0.093 0.80092E+04 84 goethite 3.66 1.49 -2.18 -0.470 0.50497E+04 85 graphite -2.31 -4.18 -1.87 -0.535 0.43455E+04 88 halite 1.04 -3.25 -4.29 -2.147 0.99642E+04 89 hematite 6.49 2.98 -3.52 -0.426 0.81573E+04 90 heulandite -11.53 -12.15 -0.62 -0.028 0.14423E+04 94 jadeite 0.40 -1.72 -2.12 -0.212 0.49142E+04 96 kalsilite 2.73 -0.36 -3.09 -0.441 0.71632E+04 97 kaolinite -7.24 -9.38 -2.14 -0.195 0.49765E+04 98 kyanite -3.96 -7.14 -3.18 -0.318 0.73820E+04 100 laumontite -4.54 -5.42 -0.88 -0.059 0.20454E+04 101 lawsonite 0.48 -0.93 -1.41 -0.094 0.32713E+04 102 leucite -0.13 -2.61 -2.48 -0.248 0.57436E+04 104 lizardite 14.90 13.00 -1.91 -0.159 0.44238E+04 105 magnesite -1.76 -3.85 -2.09 -0.697 0.48537E+04 106 magnetite 10.65 5.84 -4.81 -0.393 0.11166E+05 107 minnesotaite 4.33 -0.39 -4.71 -0.277 0.10935E+05 108 minnesotaite-Mg 12.09 8.51 -3.58 -0.211 0.83114E+04 112 margarite -2.44 -5.83 -3.39 -0.136 0.78736E+04 115 microcline -4.70 -4.85 -0.15 -0.012 0.35154E+03 116 monticellite 16.14 12.03 -4.10 -0.586 0.95250E+04 118 mullite-Si -2.45 -7.14 -4.69 -0.469 0.10875E+05 119 muscovite -7.83 -9.74 -1.91 -0.112 0.44315E+04 120 paragonite -6.82 -8.86 -2.04 -0.120 0.47398E+04 121 nepheline 3.07 0.52 -2.55 -0.365 0.59224E+04 126 periclase 10.62 5.83 -4.79 -1.198 0.11123E+05 127 periclase-Fe 7.18 2.86 -4.32 -1.080 0.10029E+05 133 phlogopite-Na 15.57 13.52 -2.05 -0.114 0.47594E+04 135 prehnite 6.23 5.27 -0.96 -0.056 0.22207E+04 136 prehnite-Fe 10.84 9.21 -1.63 -0.098 0.37891E+04 137 pumpellyite-Fe 14.70 10.96 -3.74 -0.083 0.86833E+04 138 pumpellyite-Mg 16.76 13.92 -2.83 -0.063 0.65726E+04 140 px-Ca-tschermaks 5.53 1.31 -4.22 -0.302 0.98038E+04 141 pyrite -19.52 -20.45 -0.93 -0.220 0.21650E+04 142 pyrrhotite -5.67 -7.42 -1.75 -0.582 0.40532E+04 143 pyrrhotiteFe0.875 -6.87 -8.12 -1.25 -0.459 0.28991E+04 144 pyroxmangite 4.64 1.37 -3.26 -0.653 0.75712E+04 145 pyrophyllite -11.51 -13.87 -2.36 -0.147 0.54752E+04 151 rhodochrosite -2.50 -6.06 -3.57 -1.189 0.82757E+04 152 rhodonite 4.65 1.37 -3.28 -0.656 0.76117E+04 153 sanidine -3.81 -4.85 -1.04 -0.080 0.24185E+04 155 siderite -4.23 -6.82 -2.58 -0.862 0.59988E+04 156 sillimanite -3.84 -7.14 -3.30 -0.330 0.76511E+04 163 stilbite -10.65 -12.15 -1.50 -0.071 0.34769E+04 165 stilpnomelane-Mg 9.35 8.46 -0.89 -0.026 0.20561E+04 166 stishovite 2.19 -2.24 -4.44 -1.479 0.10299E+05 168 sudoite 0.11 -4.86 -4.98 -0.161 0.11554E+05 169 sulfur -8.72 -13.03 -4.31 -1.326 0.10004E+05 171 talc 9.14 8.51 -0.63 -0.037 0.14511E+04 173 talc-tschermaks 4.51 0.03 -4.47 -0.263 0.10384E+05 178 topaz-H -3.23 -7.14 -3.91 -0.355 0.90727E+04 179 tridymite -2.04 -2.24 -0.20 -0.068 0.47047E+03 180 tremolite 28.70 28.09 -0.61 -0.016 0.14045E+04 182 troilite-low -5.71 -7.42 -1.71 -0.571 0.39720E+04 183 tschermakite 16.13 11.13 -5.00 -0.135 0.11599E+05 188 wairakite -4.82 -5.42 -0.60 -0.036 0.14023E+04 189 walstromite 7.94 6.21 -1.74 -0.348 0.40327E+04 190 wollastonite 7.19 6.21 -0.98 -0.196 0.22751E+04 191 pseudo-wollastonite 7.52 6.21 -1.31 -0.262 0.30422E+04 192 zoisite 4.69 2.82 -1.86 -0.085 0.43244E+04 193 beidellite-Ca -9.56 -12.54 -2.98 -0.184 0.69117E+04 194 beidellite-H -9.92 -13.94 -4.02 -0.257 0.93297E+04 195 beidellite-K -8.98 -12.51 -3.53 -0.216 0.81803E+04 196 beidellite-Mg -9.80 -12.98 -3.18 -0.197 0.73734E+04 197 beidellite-Na -8.93 -12.22 -3.29 -0.202 0.76366E+04 200 chalcedony -2.11 -2.24 -0.14 -0.046 0.32136E+03 201 chalcocite -20.78 -22.19 -1.41 -0.353 0.32796E+04 202 covellite -15.58 -17.61 -2.03 -0.773 0.47105E+04 204 montmorillonite-Ca -7.97 -9.74 -1.78 -0.110 0.41294E+04 205 montmorillonite-K -7.50 -9.71 -2.21 -0.135 0.51196E+04 206 montmorillonite-Mg -8.22 -10.18 -1.95 -0.121 0.45344E+04 207 montmorillonite-Na -7.36 -9.42 -2.05 -0.126 0.47660E+04 209 nontronite-Ca -1.09 -4.67 -3.58 -0.232 0.83075E+04 210 nontronite-H -1.45 -6.07 -4.62 -0.309 0.10715E+05 211 nontronite-K -0.51 -4.64 -4.13 -0.265 0.95736E+04 212 nontronite-Mg -1.32 -5.10 -3.78 -0.245 0.87762E+04 213 nontronite-Na -0.45 -4.35 -3.89 -0.250 0.90347E+04 229 tobermorite 8.26 4.79 -3.47 -0.946 0.80493E+04 235 alabandite -2.89 -6.67 -3.78 -1.259 0.87634E+04 240 boehmite -0.32 -2.45 -2.13 -0.355 0.49486E+04 242 chalcopyrite -24.51 -25.03 -0.52 -0.096 0.12008E+04 245 copper,native -1.14 -4.58 -3.44 -1.198 0.79909E+04 246 dolomite,disordered -3.13 -5.08 -1.95 -0.325 0.45198E+04 247 ferrous-oxide 5.80 2.86 -2.94 -0.734 0.68140E+04 248 fluorite -11.28 -12.70 -1.43 -0.476 0.33135E+04 249 galena -10.17 -10.30 -0.13 -0.044 0.30599E+03 257 silica-amorphous -1.70 -2.24 -0.54 -0.180 0.12547E+04 260 sphalerite -10.05 -10.97 -0.92 -0.305 0.21266E+04 261 wurtzite -8.71 -10.97 -2.26 -0.754 0.52483E+04 263 an20ab80 -2.83 -3.36 -0.52 -0.040 0.12169E+04 264 an25ab75 -2.65 -3.21 -0.56 -0.043 0.12986E+04 265 an30ab70 -2.45 -3.06 -0.60 -0.046 0.13950E+04 266 tr.625ac.25prg.125 24.66 23.95 -0.71 -0.019 0.16390E+04 271 FeS-amorphous -4.00 -7.42 -3.42 -1.141 0.79444E+04 Calculations done for 234.0000 Deg. C; 30.3942 bar Enthalpies: Pure water 4.3438 kcal/mole H2O,gas 12.0658 kcal/mole CO2,gas 3.0444 kcal/mole CH4,gas 2.9523 kcal/mole Current solution 211.4360 Gas 85.0946 kcal Total current enthalpy 296.5306 kcal Starting enthalpy 296.5306 kcal Temperature changed by -2.000 degrees to 232.000 degrees C. Solids and gases carried ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ Test file for CHIM-XPT. Boil Broadlands Water Water similar to Broadlands Well No. 2 CHIMRUN demo-2a ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ Number of loops used = 13 Loop limit = 200 Temperature = 232.00 C Pressure = 29.29 bar Mixer fraction = 0.0000000 Total current enthalpy = 296.5306 KCAL Water: Moles liquid = 0.4843E+02 kg liquid = 0.8724E+00 Moles total = 0.5551E+02 kg total = 0.1000E+01 Activity = 0.9999 Stoichiometric ionic strength = .4166644E-01 Osmotic coef. = 0.9052 True ionic strength = .3697456E-01 Chg. balance for total moles = 0.2402E-07 Max. difference allowed = 0.3072E-05 Log Log Log Species(n) Molality Molality Activity Activity Gamma Gamma 1 H+ 0.19026E-06 -6.7207 0.13798E-06 -6.8602 0.72520E+00 -0.1395 2 H2O 0.99988E+00 -0.0001 0.99988E+00 -0.0001 3 Cl- 0.33971E-01 -1.4689 0.24299E-01 -1.6144 0.71529E+00 -0.1455 4 SO4-- 0.10048E-06 -6.9979 0.28793E-07 -7.5407 0.28655E+00 -0.5428 5 HCO3- 0.20693E-02 -2.6842 0.14891E-02 -2.8271 0.71961E+00 -0.1429 6 HS- 0.51397E-03 -3.2891 0.36787E-03 -3.4343 0.71575E+00 -0.1452 7 H4SiO4 0.55955E-02 -2.2522 0.55955E-02 -2.2522 0.10000E+01 0.0000 8 Al+++ 0.18106E-21 -21.7422 0.10658E-22 -22.9723 0.58863E-01 -1.2302 9 Ca++ 0.20897E-04 -4.6799 0.58539E-05 -5.2326 0.28014E+00 -0.5526 10 Mg++ 0.50365E-07 -7.2979 0.13870E-07 -7.8579 0.27538E+00 -0.5601 11 Fe++ 0.50709E-10 -10.2949 0.14024E-10 -10.8531 0.27655E+00 -0.5582 12 K+ 0.42334E-02 -2.3733 0.30514E-02 -2.5155 0.72079E+00 -0.1422 13 Na+ 0.32659E-01 -1.4860 0.23368E-01 -1.6314 0.71553E+00 -0.1454 14 Mn++ 0.32075E-09 -9.4938 0.88983E-10 -10.0507 0.27742E+00 -0.5569 15 Zn++ 0.16484E-13 -13.7829 0.45587E-14 -14.3412 0.27655E+00 -0.5582 16 Cu+ 0.20152E-12 -12.6957 0.14417E-12 -12.8411 0.71538E+00 -0.1455 17 Pb++ 0.70780E-13 -13.1501 0.20037E-13 -13.6982 0.28308E+00 -0.5481 18 Hg++ 0.45092E-34 -34.3459 0.12702E-34 -34.8961 0.28169E+00 -0.5502 19 F- 0.26685E-03 -3.5737 0.18875E-03 -3.7241 0.70732E+00 -0.1504 21 HSiO3- 0.59997E-04 -4.2219 0.42915E-04 -4.3674 0.71529E+00 -0.1455 22 Ca(HSiO3)+ 0.14124E-06 -6.8501 0.10188E-06 -6.9919 0.72135E+00 -0.1419 23 Mg(HSiO3)+ 0.24847E-09 -9.6047 0.17923E-09 -9.7466 0.72135E+00 -0.1419 24 NaHSiO3,aq 0.11903E-04 -4.9243 0.11903E-04 -4.9243 0.10000E+01 0.0000 27 HAlO2,aq 0.75411E-08 -8.1226 0.75411E-08 -8.1226 0.10000E+01 0.0000 28 AlO2- 0.25047E-05 -5.6012 0.17748E-05 -5.7509 0.70857E+00 -0.1496 29 CH4,aq 0.23213E-04 -4.6343 0.22922E-04 -4.6398 0.98746E+00 -0.0055 34 CO,aq 0.11354E-07 -7.9449 0.11354E-07 -7.9449 0.10000E+01 0.0000 35 CO2,aq 0.62582E-02 -2.2036 0.61797E-02 -2.2090 0.98746E+00 -0.0055 36 CO3-2 0.74589E-06 -6.1273 0.21218E-06 -6.6733 0.28447E+00 -0.5460 37 CaCO3,aq 0.10811E-05 -5.9661 0.10811E-05 -5.9661 0.10000E+01 0.0000 38 Ca(HCO3)+ 0.72885E-05 -5.1374 0.52575E-05 -5.2792 0.72135E+00 -0.1419 39 CaCl+ 0.83185E-05 -5.0800 0.60005E-05 -5.2218 0.72135E+00 -0.1419 40 CaCl2,aq 0.91936E-07 -7.0365 0.91936E-07 -7.0365 0.10000E+01 0.0000 41 CaF+ 0.65665E-06 -6.1827 0.47367E-06 -6.3245 0.72135E+00 -0.1419 42 CaOH+ 0.23463E-05 -5.6296 0.16925E-05 -5.7715 0.72135E+00 -0.1419 43 CaSO4,aq 0.12209E-08 -8.9133 0.12209E-08 -8.9133 0.10000E+01 0.0000 44 HCl,aq 0.50428E-08 -8.2973 0.50428E-08 -8.2973 0.10000E+01 0.0000 53 CuCl,aq 0.28032E-10 -10.5523 0.28032E-10 -10.5523 0.10000E+01 0.0000 54 CuCl2- 0.19739E-10 -10.7047 0.14119E-10 -10.8502 0.71529E+00 -0.1455 61 HF,aq 0.43190E-05 -5.3646 0.43190E-05 -5.3646 0.10000E+01 0.0000 62 HF2- 0.35289E-09 -9.4524 0.25242E-09 -9.5979 0.71529E+00 -0.1455 64 FeCl+ 0.13498E-10 -10.8697 0.97366E-11 -11.0116 0.72135E+00 -0.1419 69 FeO,aq 0.36585E-09 -9.4367 0.36585E-09 -9.4367 0.10000E+01 0.0000 70 FeOH+ 0.38890E-09 -9.4102 0.28053E-09 -9.5520 0.72135E+00 -0.1419 71 HFeO2- 0.14011E-09 -9.8535 0.10022E-09 -9.9991 0.71529E+00 -0.1455 74 FeO2- 0.12490E-09 -9.9034 0.89339E-10 -10.0490 0.71529E+00 -0.1455 75 HFeO2,aq 0.43729E-10 -10.3592 0.43729E-10 -10.3592 0.10000E+01 0.0000 76 H2,aq 0.44710E-04 -4.3496 0.44149E-04 -4.3551 0.98746E+00 -0.0055 77 Hg,aq 0.97116E-10 -10.0127 0.95898E-10 -10.0182 0.98746E+00 -0.0055 90 KCl,aq 0.25219E-04 -4.5983 0.25219E-04 -4.5983 0.10000E+01 0.0000 92 KOH,aq 0.43997E-06 -6.3566 0.43997E-06 -6.3566 0.10000E+01 0.0000 93 KSO4- 0.20620E-07 -7.6857 0.14749E-07 -7.8312 0.71529E+00 -0.1455 94 MgCO3,aq 0.30807E-09 -9.5113 0.30807E-09 -9.5113 0.10000E+01 0.0000 95 Mg(HCO3)+ 0.16038E-07 -7.7948 0.11569E-07 -7.9367 0.72135E+00 -0.1419 96 MgCl+ 0.10090E-07 -7.9961 0.72783E-08 -8.1380 0.72135E+00 -0.1419 97 MgF+ 0.43484E-08 -8.3617 0.31367E-08 -8.5035 0.72135E+00 -0.1419 98 MgOH+ 0.17787E-07 -7.7499 0.12830E-07 -7.8918 0.72135E+00 -0.1419 101 MnO,aq 0.69398E-10 -10.1587 0.69398E-10 -10.1587 0.10000E+01 0.0000 102 MnOH+ 0.35392E-09 -9.4511 0.25530E-09 -9.5930 0.72135E+00 -0.1419 107 MnCl+ 0.14259E-08 -8.8459 0.10286E-08 -8.9878 0.72135E+00 -0.1419 109 NaCl,aq 0.12081E-02 -2.9179 0.12081E-02 -2.9179 0.10000E+01 0.0000 110 NaF,aq 0.76271E-05 -5.1176 0.76271E-05 -5.1176 0.10000E+01 0.0000 111 NaOH,aq 0.22243E-05 -5.6528 0.22243E-05 -5.6528 0.10000E+01 0.0000 113 OH- 0.67129E-04 -4.1731 0.47565E-04 -4.3227 0.70857E+00 -0.1496 122 PbO,aq 0.17918E-10 -10.7467 0.17918E-10 -10.7467 0.10000E+01 0.0000 124 Pb(HS)2,aq 0.12086E-07 -7.9177 0.12086E-07 -7.9177 0.10000E+01 0.0000 125 Pb(HS)3- 0.19688E-09 -9.7058 0.14082E-09 -9.8513 0.71529E+00 -0.1455 126 H2S,aq 0.56996E-03 -3.2442 0.56281E-03 -3.2496 0.98746E+00 -0.0055 127 S2-2 0.13979E-09 -9.8545 0.39767E-10 -10.4005 0.28447E+00 -0.5460 134 HSO3- 0.14389E-10 -10.8420 0.10292E-10 -10.9875 0.71529E+00 -0.1455 135 HSO4- 0.51021E-09 -9.2923 0.36909E-09 -9.4329 0.72342E+00 -0.1406 153 ZnO,aq 0.11470E-10 -10.9404 0.11470E-10 -10.9404 0.10000E+01 0.0000 154 ZnOH+ 0.14290E-09 -9.8450 0.10308E-09 -9.9868 0.72135E+00 -0.1419 159 AlF3,aq 0.19464E-10 -10.7108 0.19464E-10 -10.7108 0.10000E+01 0.0000 160 AlF4- 0.15566E-10 -10.8078 0.11134E-10 -10.9533 0.71529E+00 -0.1455 164 Cu(HS)2- 0.63775E-07 -7.1953 0.45618E-07 -7.3409 0.71529E+00 -0.1455 166 CuH4S3-b 0.88403E-10 -10.0535 0.63234E-10 -10.1990 0.71529E+00 -0.1455 180 MnCl2,aq 0.65517E-09 -9.1836 0.65517E-09 -9.1836 0.10000E+01 0.0000 181 MnCl3- 0.11061E-09 -9.9562 0.79115E-10 -10.1017 0.71529E+00 -0.1455 182 MnCO3,aq 0.17324E-09 -9.7613 0.17324E-09 -9.7613 0.10000E+01 0.0000 183 NaCO3- 0.39601E-06 -6.4023 0.28326E-06 -6.5478 0.71529E+00 -0.1455 184 NaHCO3,aq 0.62312E-04 -4.2054 0.62312E-04 -4.2054 0.10000E+01 0.0000 185 NaHS,aq 0.15394E-04 -4.8127 0.15394E-04 -4.8127 0.10000E+01 0.0000 186 NaSO4- 0.35056E-07 -7.4552 0.25075E-07 -7.6008 0.71529E+00 -0.1455 187 PbCO3,aq 0.34561E-09 -9.4614 0.34561E-09 -9.4614 0.10000E+01 0.0000 188 PbOH+ 0.67768E-10 -10.1690 0.48884E-10 -10.3108 0.72135E+00 -0.1419 193 Zn(HS)2,aq 0.17048E-07 -7.7683 0.17048E-07 -7.7683 0.10000E+01 0.0000 194 Zn(HS)3- 0.32725E-09 -9.4851 0.23408E-09 -9.6306 0.71529E+00 -0.1455 Charge balance for all species = 0.2753E-07 Component Molality Aq.molality ppm log[A(N)/A(H+)**Z] (total) 1 H+ 0.1902583E-06 0.6665029E-02 0.6696596E+01 0.0000 2 H2O 0.1000000E+01 0.5550207E+02 0.9967081E+06 0.0000 3 Cl- 0.3397080E-01 0.3521261E-01 0.1244424E+04 5.2458 4 SO4-- 0.1004825E-06 -.3423518E-04 -.3278233E+01 6.1797 5 HCO3- 0.2069300E-02 0.8422557E-02 0.5122873E+03 4.0331 6 HS- 0.5139665E-03 0.1133898E-02 0.3738108E+02 3.4259 7 H4SiO4 0.5595526E-02 0.5667567E-02 0.5430089E+03 -2.2522 8 Al+++ 0.1810569E-21 0.2512304E-05 0.6757027E-01 -2.3917 9 Ca++ 0.2089663E-04 0.4082210E-04 0.1630868E+01 8.4878 10 Mg++ 0.5036515E-07 0.9919423E-07 0.2403945E-02 5.8625 11 Fe++ 0.5070936E-10 0.1130353E-08 0.6292614E-04 2.8673 12 K+ 0.4233395E-02 0.4259075E-02 0.1660090E+03 4.3447 13 Na+ 0.3265850E-01 0.3396645E-01 0.7783999E+03 5.2288 14 Mn++ 0.3207501E-09 0.3115981E-08 0.1706416E-03 3.6697 15 Zn++ 0.1648403E-13 0.1753743E-07 0.1142778E-02 -0.6208 16 Cu+ 0.2015244E-12 0.6391421E-07 0.4048200E-02 -5.9809 17 Pb++ 0.7077964E-13 0.1272324E-07 0.2627748E-02 0.0222 18 Hg++ 0.4509170E-34 0.9770521E-10 0.1953639E-04 -21.1757 19 F- 0.2668458E-03 0.2794537E-03 0.5292185E+01 3.1361 Component Tot moles Aq. moles Solid moles Gas moles 1 H+ 0.1822172E+00 0.5814702E-02 -.4989765E-06 0.1764030E+00 2 H2O 0.5550825E+02 0.4842109E+02 -.5821328E-02 0.7092987E+01 3 Cl- 0.3072017E-01 0.3072017E-01 0.0000000E+00 0.8819402E-09 4 SO4-- -.4257700E-02 -.2986744E-04 0.1653524E-09 -.4227833E-02 5 HCO3- 0.1832100E+00 0.7348004E-02 0.0000000E+00 0.1758620E+00 6 HS- 0.9985820E-02 0.9892350E-03 0.5125924E-08 0.8996580E-02 7 H4SiO4 0.7855346E-02 0.4944496E-02 0.2910849E-02 0.0000000E+00 8 Al+++ 0.2253680E-05 0.2191783E-05 0.6189667E-07 0.0000000E+00 9 Ca++ 0.3561400E-04 0.3561400E-04 0.0000000E+00 0.0000000E+00 10 Mg++ 0.2355503E-06 0.8653899E-07 0.1490113E-06 0.0000000E+00 11 Fe++ 0.8017372E-08 0.9861417E-09 0.7031230E-08 0.0000000E+00 12 K+ 0.3715700E-02 0.3715700E-02 0.0000000E+00 0.0000000E+00 13 Na+ 0.2963300E-01 0.2963300E-01 0.0000000E+00 0.0000000E+00 14 Mn++ 0.2740424E-08 0.2718443E-08 0.2198049E-10 0.0000000E+00 15 Zn++ 0.1530000E-07 0.1530000E-07 0.0000000E+00 0.0000000E+00 16 Cu+ 0.6237410E-07 0.5576000E-07 0.6614095E-08 0.0000000E+00 17 Pb++ 0.1110000E-07 0.1110000E-07 0.0000000E+00 0.0000000E+00 18 Hg++ 0.4000000E-08 0.8523994E-10 0.0000000E+00 0.3914760E-08 19 F- 0.2439100E-03 0.2438009E-03 0.0000000E+00 0.1091498E-06 Chg. balance for solid moles: -.1125E-16 Mass of aqueous solution: 0.875202E+03 g Temperature = 232.00 C Pressure = 29.29 bar Mixer frac. = 0.0000000 Log Log Vol Gas or mineral Moles Moles Grams Grams Wt.% (cm3) H2O,gas 7.258 0.861 130.7 2.116 94.35 8913. CO2,gas 0.1730 -0.762 7.613 0.882 5.495 260.0 CH4,gas 0.2872E-02 -2.542 0.4607E-01 -1.337 0.3325E-01 4.686 H2,gas 0.5422E-02 -2.266 0.1095E-01 -1.960 0.7906E-02 7.866 H2S,gas 0.4769E-02 -2.322 0.1625 -0.789 0.1173 6.526 CO,gas 0.1205E-05 -5.919 0.3374E-04 -4.472 0.2436E-04 0.1728E-02 SO2,gas 0.1551E-12 -12.810 0.9933E-11 -11.003 0.7169E-11 0.2224E-09 HF,gas 0.1091E-06 -6.962 0.2183E-05 -5.661 0.1576E-05 0.1565E-03 HCl,gas 0.8819E-09 -9.055 0.3216E-07 -7.493 0.2321E-07 0.1265E-05 Hg,gas 0.3915E-08 -8.407 0.7853E-06 -6.105 0.5668E-06 0.5614E-05 clinochlore 0.2980E-07 -7.526 0.1656E-04 -4.781 0.9471E-02 0.6301E-05 daphnite 0.1142E-08 -8.942 0.8146E-06 -6.089 0.4658E-03 0.2468E-06 chlorite-Mn 0.4396E-11 -11.357 0.3117E-08 -8.506 0.1782E-05 0.9932E-09 quartz 0.2911E-02 -2.536 0.1749 -0.757 99.99 0.6604E-01 bornite 0.1323E-08 -8.878 0.6638E-06 -6.178 0.3795E-03 0.1306E-06 Partial press. Fugacity coef Log fugacity Gas or Mineral Mole fraction or activity Activity coef Log activity H2O,gas 0.9750E+00 0.2855E+02 0.8777 1.399 CO2,gas 0.2324E-01 0.6806E+00 1.0064 -0.164 CH4,gas 0.3858E-03 0.1130E-01 1.1207 -1.897 H2,gas 0.7285E-03 0.2133E-01 1.0116 -1.666 H2S,gas 0.6406E-03 0.1876E-01 0.9543 -1.747 CO,gas 0.1618E-06 0.4740E-05 1.0000 -5.324 SO2,gas 0.2083E-13 0.6100E-12 1.0000 -12.215 HF,gas 0.1466E-07 0.4294E-06 1.0000 -6.367 HCl,gas 0.1185E-09 0.3470E-08 1.0000 -8.460 Hg,gas 0.5259E-09 0.1540E-07 1.0000 -7.812 clinochlore 0.9630E+00 0.9630E+00 1.0000 -0.016 daphnite 0.3689E-01 0.3689E-01 1.0000 -1.433 chlorite-Mn 0.1420E-03 0.1420E-03 1.0000 -3.848 quartz 0.1000E+01 0.1000E+01 1.0000 0.000 bornite 0.1000E+01 0.1000E+01 1.0000 0.000 Current weight percent of gas: 13.664161 % Solid products produced: Mass = 0.174896 g Volume = 0.066048 cm3 WARNING: mineral volume may be in error because some mineral densities were not supplied in SOLTHERM. See mineral list in file Skip_Species.txt. NON-Ideal mixing with H2O, CO2, CH4 Gases ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ The following gases and minerals are presently in matrix or were just added Gas or Mineral Log K Log Q Log(Q/K) Log(Q/K)/S Affinity Log Fugacity 1 H2O,gas 0.07 0.07 -0.00 -0.000 0.10098E-08 2 CO2,gas -8.06 -8.06 0.00 0.000 -0.33259E-09 3 CH4,gas 4.64 4.64 0.00 0.000 -0.97313E-09 4 H2,gas 5.87 5.87 0.00 0.000 -0.80067E-10 5 H2S,gas -7.08 -7.08 -0.00 -0.000 0.32027E-09 6 CO,gas -0.15 -0.15 0.00 0.000 -0.25663E-11 7 SO2,gas -4.84 -4.84 -0.00 -0.000 0.82120E-11 8 HF,gas -2.75 -2.75 -0.00 -0.000 0.20530E-11 9 HCl,gas 1.45 1.45 0.00 0.000 -0.15398E-11 10 Hg,gas -9.16 -9.16 -0.00 -0.000 0.41060E-11 43 clinochlore 17.85 17.85 -0.00 -0.000 0.82120E-11 44 daphnite 9.96 9.96 -0.00 -0.000 0.20530E-10 45 chlorite-Mn 26.05 26.05 0.00 0.000 -0.16424E-10 146 quartz -2.25 -2.25 0.00 0.000 0.00000E+00 198 bornite -69.59 -69.59 0.00 0.000 0.00000E+00 The following gases and minerals are presently EXCLUDED from matrix (Gases and minerals with log(Q/K) less than -5 are not listed below) Gas or Mineral Log K Log Q Log(Q/K) Log(Q/K)/S Affinity Log Fugacity 11 acmite 5.19 2.22 -2.97 -0.309 0.68656E+04 15 albite-high -2.87 -3.92 -1.05 -0.081 0.24234E+04 16 albite -3.44 -3.92 -0.48 -0.037 0.11181E+04 20 analcite -0.45 -1.67 -1.21 -0.135 0.28062E+04 21 andalusite -3.89 -7.04 -3.15 -0.315 0.72790E+04 22 andradite 24.88 21.70 -3.18 -0.165 0.73494E+04 23 grossular 15.77 13.92 -1.84 -0.092 0.42586E+04 24 anhydrite -8.00 -12.77 -4.77 -2.387 0.11037E+05 25 ankerite -5.51 -8.02 -2.51 -0.418 0.58016E+04 26 annite 8.71 3.80 -4.92 -0.273 0.11365E+05 27 phlogopite 14.13 12.78 -1.35 -0.075 0.31174E+04 29 anorthite 0.95 -0.80 -1.75 -0.135 0.40480E+04 32 aragonite -0.87 -1.20 -0.33 -0.110 0.76064E+03 33 brucite 8.66 5.86 -2.80 -0.559 0.64621E+04 34 calcite -1.02 -1.20 -0.18 -0.059 0.40763E+03 35 carnegieite-low 3.67 0.58 -3.09 -0.441 0.71348E+04 36 carnegieite-high 4.25 0.58 -3.66 -0.524 0.84706E+04 37 carpholite-Mg -1.07 -3.43 -2.35 -0.157 0.54358E+04 38 carpholite-Fe -2.54 -6.42 -3.88 -0.258 0.89610E+04 39 celadonite 0.83 -1.19 -2.02 -0.119 0.46677E+04 40 celadonite-Fe -0.47 -4.19 -3.72 -0.219 0.85979E+04 41 chrysotile 15.30 13.08 -2.22 -0.185 0.51222E+04 46 chlorite-Al-free 30.28 26.17 -4.11 -0.171 0.95087E+04 47 chloritoid-Mg 1.75 -1.17 -2.93 -0.195 0.67649E+04 48 chloritoid-Fe -1.16 -4.17 -3.01 -0.201 0.69542E+04 49 chloritoid-Mn 1.05 -3.37 -4.42 -0.294 0.10207E+05 51 coesite -1.78 -2.25 -0.47 -0.158 0.10961E+04 56 corundum -1.34 -4.78 -3.44 -0.313 0.79612E+04 58 cristobalite -2.02 -2.25 -0.23 -0.077 0.53515E+03 61 cymrite-K -1.40 -4.80 -3.40 -0.284 0.78700E+04 63 diaspore -1.17 -2.39 -1.22 -0.203 0.28220E+04 64 diamond -1.93 -4.20 -2.27 -0.649 0.52487E+04 65 diopside 10.27 9.85 -0.42 -0.042 0.96933E+03 66 hedenbergite 8.69 6.85 -1.84 -0.184 0.42617E+04 67 dolomite,ordered -3.42 -5.02 -1.60 -0.267 0.37044E+04 68 eastonite 8.83 4.39 -4.44 -0.171 0.10259E+05 69 enstatite 10.23 7.22 -3.01 -0.301 0.69482E+04 70 clinoenstatite-HiP 11.04 7.22 -3.82 -0.382 0.88324E+04 71 clinoenstatite 10.16 7.22 -2.94 -0.294 0.67897E+04 72 protoenstatite 10.58 7.22 -3.36 -0.336 0.77592E+04 73 epidote 8.66 6.93 -1.73 -0.084 0.39921E+04 74 clinozoisite 4.87 3.04 -1.83 -0.083 0.42256E+04 75 epidote-Fe 14.95 10.82 -4.13 -0.214 0.95380E+04 76 fayalite 7.73 3.48 -4.25 -0.607 0.98195E+04 77 ferrosilite 5.59 1.23 -4.36 -0.436 0.10075E+05 78 forsterite 13.00 9.47 -3.53 -0.504 0.81530E+04 81 gibbsite 0.17 -2.39 -2.56 -0.366 0.59156E+04 82 glaucophane 8.69 5.24 -3.45 -0.093 0.79638E+04 84 goethite 3.70 1.50 -2.20 -0.476 0.50865E+04 85 graphite -2.32 -4.20 -1.89 -0.539 0.43615E+04 88 halite 1.05 -3.25 -4.30 -2.150 0.99391E+04 89 hematite 6.56 2.99 -3.57 -0.433 0.82547E+04 90 heulandite -11.46 -12.06 -0.60 -0.027 0.13870E+04 94 jadeite 0.44 -1.67 -2.11 -0.211 0.48762E+04 96 kalsilite 2.78 -0.30 -3.08 -0.440 0.71261E+04 97 kaolinite -7.17 -9.29 -2.12 -0.193 0.49063E+04 98 kyanite -3.85 -7.04 -3.19 -0.319 0.73647E+04 100 laumontite -4.45 -5.30 -0.86 -0.057 0.19783E+04 101 lawsonite 0.59 -0.80 -1.39 -0.093 0.32084E+04 102 leucite -0.08 -2.55 -2.47 -0.247 0.57150E+04 104 lizardite 15.00 13.08 -1.92 -0.160 0.44286E+04 105 magnesite -1.72 -3.82 -2.10 -0.701 0.48596E+04 106 magnetite 10.76 5.86 -4.90 -0.400 0.11331E+05 107 minnesotaite 4.40 -0.41 -4.80 -0.283 0.11103E+05 108 minnesotaite-Mg 12.19 8.58 -3.61 -0.212 0.83460E+04 112 margarite -2.20 -5.58 -3.39 -0.136 0.78321E+04 115 microcline -4.67 -4.80 -0.13 -0.010 0.31152E+03 116 monticellite 16.23 12.10 -4.13 -0.591 0.95563E+04 118 mullite-Si -2.33 -7.04 -4.70 -0.470 0.10866E+05 119 muscovite -7.70 -9.59 -1.88 -0.111 0.43507E+04 120 paragonite -6.68 -8.70 -2.02 -0.119 0.46712E+04 121 nepheline 3.14 0.58 -2.55 -0.364 0.58973E+04 126 periclase 10.68 5.86 -4.82 -1.205 0.11145E+05 127 periclase-Fe 7.24 2.87 -4.37 -1.092 0.10097E+05 133 phlogopite-Na 15.73 13.67 -2.07 -0.115 0.47762E+04 135 prehnite 6.39 5.44 -0.95 -0.056 0.22003E+04 136 prehnite-Fe 10.98 9.32 -1.66 -0.100 0.38281E+04 137 pumpellyite-Fe 15.08 11.35 -3.74 -0.083 0.86362E+04 138 pumpellyite-Mg 17.15 14.34 -2.80 -0.062 0.64823E+04 140 px-Ca-tschermaks 5.69 1.45 -4.24 -0.303 0.98004E+04 141 pyrite -19.52 -20.46 -0.95 -0.223 0.21886E+04 142 pyrrhotite -5.65 -7.43 -1.78 -0.593 0.41152E+04 143 pyrrhotiteFe0.875 -6.85 -8.13 -1.28 -0.469 0.29506E+04 144 pyroxmangite 4.67 1.42 -3.25 -0.650 0.75138E+04 145 pyrophyllite -11.44 -13.79 -2.35 -0.147 0.54312E+04 151 rhodochrosite -2.47 -6.02 -3.55 -1.183 0.82018E+04 152 rhodonite 4.69 1.42 -3.27 -0.654 0.75549E+04 153 sanidine -3.77 -4.80 -1.03 -0.079 0.23786E+04 155 siderite -4.20 -6.82 -2.62 -0.872 0.60478E+04 156 sillimanite -3.73 -7.04 -3.30 -0.330 0.76393E+04 163 stilbite -10.61 -12.06 -1.45 -0.069 0.33462E+04 165 stilpnomelane-Mg 9.56 8.68 -0.88 -0.026 0.20272E+04 166 stishovite 2.20 -2.25 -4.45 -1.484 0.10291E+05 168 sudoite 0.37 -4.60 -4.97 -0.160 0.11484E+05 169 sulfur -8.72 -13.04 -4.32 -1.329 0.99876E+04 171 talc 9.22 8.58 -0.64 -0.038 0.14834E+04 173 talc-tschermaks 4.68 0.18 -4.49 -0.264 0.10388E+05 178 topaz-H -3.13 -7.04 -3.90 -0.355 0.90215E+04 179 tridymite -2.05 -2.25 -0.20 -0.068 0.47279E+03 180 tremolite 28.92 28.27 -0.65 -0.018 0.14969E+04 182 troilite-low -5.68 -7.43 -1.74 -0.581 0.40312E+04 188 wairakite -4.71 -5.30 -0.59 -0.035 0.13749E+04 189 walstromite 7.98 6.24 -1.75 -0.350 0.40422E+04 190 wollastonite 7.22 6.24 -0.99 -0.198 0.22841E+04 191 pseudo-wollastonite 7.56 6.24 -1.32 -0.264 0.30535E+04 192 zoisite 4.91 3.04 -1.86 -0.085 0.43085E+04 193 beidellite-Ca -9.47 -12.44 -2.97 -0.184 0.68692E+04 194 beidellite-H -9.82 -13.84 -4.02 -0.256 0.92827E+04 195 beidellite-K -8.89 -12.40 -3.51 -0.215 0.81237E+04 196 beidellite-Mg -9.70 -12.87 -3.17 -0.196 0.73331E+04 197 beidellite-Na -8.83 -12.11 -3.28 -0.201 0.75841E+04 200 chalcedony -2.11 -2.25 -0.14 -0.046 0.32139E+03 201 chalcocite -20.85 -22.26 -1.41 -0.352 0.32574E+04 202 covellite -15.62 -17.65 -2.03 -0.772 0.46836E+04 204 montmorillonite-Ca -7.89 -9.67 -1.77 -0.110 0.40990E+04 205 montmorillonite-K -7.44 -9.63 -2.20 -0.135 0.50783E+04 206 montmorillonite-Mg -8.15 -10.10 -1.95 -0.121 0.45057E+04 207 montmorillonite-Na -7.30 -9.34 -2.04 -0.125 0.47255E+04 209 nontronite-Ca -1.04 -4.66 -3.62 -0.235 0.83751E+04 210 nontronite-H -1.40 -6.06 -4.66 -0.313 0.10779E+05 211 nontronite-K -0.46 -4.63 -4.16 -0.267 0.96271E+04 212 nontronite-Mg -1.27 -5.09 -3.83 -0.248 0.88460E+04 213 nontronite-Na -0.40 -4.34 -3.93 -0.252 0.90924E+04 229 tobermorite 8.28 4.82 -3.46 -0.945 0.80031E+04 235 alabandite -2.86 -6.62 -3.77 -1.256 0.87083E+04 240 boehmite -0.26 -2.39 -2.13 -0.356 0.49316E+04 242 chalcopyrite -24.54 -25.07 -0.53 -0.100 0.12364E+04 245 copper,native -1.16 -4.61 -3.45 -1.201 0.79791E+04 246 dolomite,disordered -3.06 -5.02 -1.96 -0.327 0.45293E+04 247 ferrous-oxide 5.85 2.87 -2.98 -0.745 0.68836E+04 248 fluorite -11.24 -12.68 -1.44 -0.479 0.33237E+04 249 galena -10.18 -10.27 -0.09 -0.030 0.20926E+03 257 silica-amorphous -1.71 -2.25 -0.54 -0.182 0.12597E+04 260 sphalerite -10.04 -10.92 -0.87 -0.291 0.20159E+04 261 wurtzite -8.69 -10.92 -2.22 -0.741 0.51379E+04 263 an20ab80 -2.78 -3.30 -0.52 -0.040 0.12017E+04 264 an25ab75 -2.58 -3.14 -0.56 -0.043 0.12853E+04 265 an30ab70 -2.38 -2.98 -0.60 -0.046 0.13834E+04 266 tr.625ac.25prg.125 24.90 24.11 -0.78 -0.021 0.18063E+04 271 FeS-amorphous -3.98 -7.43 -3.44 -1.148 0.79626E+04 Calculations done for 232.0000 Deg. C; 29.2868 bar Enthalpies: Pure water 4.3037 kcal/mole H2O,gas 12.0686 kcal/mole CO2,gas 2.9972 kcal/mole CH4,gas 2.9057 kcal/mole Current solution 208.4137 Gas 88.1169 kcal Total current enthalpy 296.5306 kcal Starting enthalpy 296.5306 kcal Temperature changed by -2.000 degrees to 230.000 degrees C. Solids and gases carried ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ Test file for CHIM-XPT. Boil Broadlands Water Water similar to Broadlands Well No. 2 CHIMRUN demo-2a ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ Number of loops used = 13 Loop limit = 200 Temperature = 230.00 C Pressure = 28.21 bar Mixer fraction = 0.0000000 Total current enthalpy = 296.5306 KCAL Water: Moles liquid = 0.4818E+02 kg liquid = 0.8680E+00 Moles total = 0.5551E+02 kg total = 0.1000E+01 Activity = 0.9999 Stoichiometric ionic strength = .4161791E-01 Osmotic coef. = 0.9060 True ionic strength = .3719755E-01 Chg. balance for total moles = 0.2402E-07 Max. difference allowed = 0.3072E-05 Log Log Log Species(n) Molality Molality Activity Activity Gamma Gamma 1 H+ 0.18487E-06 -6.7331 0.13429E-06 -6.8720 0.72640E+00 -0.1388 2 H2O 0.99988E+00 -0.0001 0.99988E+00 -0.0001 3 Cl- 0.34177E-01 -1.4663 0.24489E-01 -1.6110 0.71654E+00 -0.1448 4 SO4-- 0.11017E-06 -6.9579 0.31774E-07 -7.4979 0.28841E+00 -0.5400 5 HCO3- 0.20818E-02 -2.6816 0.15006E-02 -2.8237 0.72084E+00 -0.1422 6 HS- 0.51333E-03 -3.2896 0.36805E-03 -3.4341 0.71700E+00 -0.1445 7 H4SiO4 0.54876E-02 -2.2606 0.54876E-02 -2.2606 0.10000E+01 0.0000 8 Al+++ 0.18741E-21 -21.7272 0.11196E-22 -22.9509 0.59740E-01 -1.2237 9 Ca++ 0.21459E-04 -4.6684 0.60513E-05 -5.2182 0.28199E+00 -0.5498 10 Mg++ 0.51226E-07 -7.2905 0.14202E-07 -7.8477 0.27724E+00 -0.5571 11 Fe++ 0.48174E-10 -10.3172 0.13412E-10 -10.8725 0.27841E+00 -0.5553 12 K+ 0.42559E-02 -2.3710 0.30728E-02 -2.5125 0.72200E+00 -0.1415 13 Na+ 0.32858E-01 -1.4834 0.23551E-01 -1.6280 0.71677E+00 -0.1446 14 Mn++ 0.33964E-09 -9.4690 0.94855E-10 -10.0229 0.27928E+00 -0.5540 15 Zn++ 0.17910E-13 -13.7469 0.49862E-14 -14.3022 0.27841E+00 -0.5553 16 Cu+ 0.18359E-12 -12.7362 0.13156E-12 -12.8809 0.71662E+00 -0.1447 17 Pb++ 0.73240E-13 -13.1353 0.20869E-13 -13.6805 0.28494E+00 -0.5452 18 Hg++ 0.37567E-34 -34.4252 0.10652E-34 -34.9726 0.28354E+00 -0.5474 19 F- 0.26876E-03 -3.5706 0.19045E-03 -3.7202 0.70863E+00 -0.1496 21 HSiO3- 0.61500E-04 -4.2111 0.44067E-04 -4.3559 0.71654E+00 -0.1448 22 Ca(HSiO3)+ 0.14153E-06 -6.8492 0.10226E-06 -6.9903 0.72256E+00 -0.1411 23 Mg(HSiO3)+ 0.24847E-09 -9.6047 0.17953E-09 -9.7459 0.72256E+00 -0.1411 24 NaHSiO3,aq 0.12169E-04 -4.9148 0.12169E-04 -4.9148 0.10000E+01 0.0000 27 HAlO2,aq 0.75843E-08 -8.1201 0.75843E-08 -8.1201 0.10000E+01 0.0000 28 AlO2- 0.25173E-05 -5.5991 0.17870E-05 -5.7479 0.70986E+00 -0.1488 29 CH4,aq 0.21039E-04 -4.6770 0.20775E-04 -4.6825 0.98745E+00 -0.0055 34 CO,aq 0.96952E-08 -8.0134 0.96952E-08 -8.0134 0.10000E+01 0.0000 35 CO2,aq 0.58035E-02 -2.2363 0.57307E-02 -2.2418 0.98745E+00 -0.0055 36 CO3-2 0.79793E-06 -6.0980 0.22847E-06 -6.6412 0.28633E+00 -0.5431 37 CaCO3,aq 0.11074E-05 -5.9557 0.11074E-05 -5.9557 0.10000E+01 0.0000 38 Ca(HCO3)+ 0.71333E-05 -5.1467 0.51542E-05 -5.2878 0.72256E+00 -0.1411 39 CaCl+ 0.81437E-05 -5.0892 0.58843E-05 -5.2303 0.72256E+00 -0.1411 40 CaCl2,aq 0.88101E-07 -7.0550 0.88101E-07 -7.0550 0.10000E+01 0.0000 41 CaF+ 0.64191E-06 -6.1925 0.46381E-06 -6.3337 0.72256E+00 -0.1411 42 CaOH+ 0.23142E-05 -5.6356 0.16722E-05 -5.7767 0.72256E+00 -0.1411 43 CaSO4,aq 0.13009E-08 -8.8858 0.13009E-08 -8.8858 0.10000E+01 0.0000 44 HCl,aq 0.47003E-08 -8.3279 0.47003E-08 -8.3279 0.10000E+01 0.0000 53 CuCl,aq 0.25341E-10 -10.5962 0.25341E-10 -10.5962 0.10000E+01 0.0000 54 CuCl2- 0.17884E-10 -10.7475 0.12815E-10 -10.8923 0.71654E+00 -0.1448 61 HF,aq 0.40181E-05 -5.3960 0.40181E-05 -5.3960 0.10000E+01 0.0000 62 HF2- 0.33180E-09 -9.4791 0.23775E-09 -9.6239 0.71654E+00 -0.1448 64 FeCl+ 0.12283E-10 -10.9107 0.88753E-11 -11.0518 0.72256E+00 -0.1411 69 FeO,aq 0.33077E-09 -9.4805 0.33077E-09 -9.4805 0.10000E+01 0.0000 70 FeOH+ 0.36186E-09 -9.4415 0.26146E-09 -9.5826 0.72256E+00 -0.1411 71 HFeO2- 0.12963E-09 -9.8873 0.92888E-10 -10.0320 0.71654E+00 -0.1448 74 FeO2- 0.11452E-09 -9.9411 0.82060E-10 -10.0859 0.71654E+00 -0.1448 75 HFeO2,aq 0.40447E-10 -10.3931 0.40447E-10 -10.3931 0.10000E+01 0.0000 76 H2,aq 0.41307E-04 -4.3840 0.40789E-04 -4.3895 0.98745E+00 -0.0055 77 Hg,aq 0.88703E-10 -10.0521 0.87589E-10 -10.0575 0.98745E+00 -0.0055 90 KCl,aq 0.24408E-04 -4.6125 0.24408E-04 -4.6125 0.10000E+01 0.0000 92 KOH,aq 0.43910E-06 -6.3574 0.43910E-06 -6.3574 0.10000E+01 0.0000 93 KSO4- 0.21818E-07 -7.6612 0.15633E-07 -7.8060 0.71654E+00 -0.1448 94 MgCO3,aq 0.31540E-09 -9.5011 0.31540E-09 -9.5011 0.10000E+01 0.0000 95 Mg(HCO3)+ 0.15591E-07 -7.8071 0.11265E-07 -7.9483 0.72256E+00 -0.1411 96 MgCl+ 0.98601E-08 -8.0061 0.71245E-08 -8.1472 0.72256E+00 -0.1411 97 MgF+ 0.42260E-08 -8.3741 0.30536E-08 -8.5152 0.72256E+00 -0.1411 98 MgOH+ 0.17443E-07 -7.7584 0.12604E-07 -7.8995 0.72256E+00 -0.1411 101 MnO,aq 0.70051E-10 -10.1546 0.70051E-10 -10.1546 0.10000E+01 0.0000 102 MnOH+ 0.36571E-09 -9.4369 0.26425E-09 -9.5780 0.72256E+00 -0.1411 107 MnCl+ 0.14206E-08 -8.8475 0.10265E-08 -8.9887 0.72256E+00 -0.1411 109 NaCl,aq 0.11830E-02 -2.9270 0.11830E-02 -2.9270 0.10000E+01 0.0000 110 NaF,aq 0.74630E-05 -5.1271 0.74630E-05 -5.1271 0.10000E+01 0.0000 111 NaOH,aq 0.22293E-05 -5.6518 0.22293E-05 -5.6518 0.10000E+01 0.0000 113 OH- 0.68280E-04 -4.1657 0.48470E-04 -4.3145 0.70986E+00 -0.1488 122 PbO,aq 0.18363E-10 -10.7361 0.18363E-10 -10.7361 0.10000E+01 0.0000 124 Pb(HS)2,aq 0.12122E-07 -7.9164 0.12122E-07 -7.9164 0.10000E+01 0.0000 125 Pb(HS)3- 0.19307E-09 -9.7143 0.13834E-09 -9.8590 0.71654E+00 -0.1448 126 H2S,aq 0.53313E-03 -3.2732 0.52644E-03 -3.2786 0.98745E+00 -0.0055 127 S2-2 0.13855E-09 -9.8584 0.39672E-10 -10.4015 0.28633E+00 -0.5431 134 HSO3- 0.13700E-10 -10.8633 0.98162E-11 -11.0081 0.71654E+00 -0.1448 135 HSO4- 0.50803E-09 -9.2941 0.36813E-09 -9.4340 0.72462E+00 -0.1399 153 ZnO,aq 0.11991E-10 -10.9212 0.11991E-10 -10.9212 0.10000E+01 0.0000 154 ZnOH+ 0.14910E-09 -9.8265 0.10774E-09 -9.9676 0.72256E+00 -0.1411 159 AlF3,aq 0.15416E-10 -10.8120 0.15416E-10 -10.8120 0.10000E+01 0.0000 160 AlF4- 0.11839E-10 -10.9267 0.84832E-11 -11.0714 0.71654E+00 -0.1448 164 Cu(HS)2- 0.61904E-07 -7.2083 0.44357E-07 -7.3530 0.71654E+00 -0.1448 166 CuH4S3-b 0.91553E-10 -10.0383 0.65601E-10 -10.1831 0.71654E+00 -0.1448 180 MnCl2,aq 0.62834E-09 -9.2018 0.62834E-09 -9.2018 0.10000E+01 0.0000 181 MnCl3- 0.10615E-09 -9.9741 0.76061E-10 -10.1188 0.71654E+00 -0.1448 182 MnCO3,aq 0.19306E-09 -9.7143 0.19306E-09 -9.7143 0.10000E+01 0.0000 183 NaCO3- 0.42249E-06 -6.3742 0.30273E-06 -6.5189 0.71654E+00 -0.1448 184 NaHCO3,aq 0.61758E-04 -4.2093 0.61758E-04 -4.2093 0.10000E+01 0.0000 185 NaHS,aq 0.15147E-04 -4.8197 0.15147E-04 -4.8197 0.10000E+01 0.0000 186 NaSO4- 0.37640E-07 -7.4243 0.26971E-07 -7.5691 0.71654E+00 -0.1448 187 PbCO3,aq 0.37717E-09 -9.4235 0.37717E-09 -9.4235 0.10000E+01 0.0000 188 PbOH+ 0.69269E-10 -10.1595 0.50051E-10 -10.3006 0.72256E+00 -0.1411 193 Zn(HS)2,aq 0.17124E-07 -7.7664 0.17124E-07 -7.7664 0.10000E+01 0.0000 194 Zn(HS)3- 0.33440E-09 -9.4757 0.23961E-09 -9.6205 0.71654E+00 -0.1448 Charge balance for all species = 0.2767E-07 Component Molality Aq.molality ppm log[A(N)/A(H+)**Z] (total) 1 H+ 0.1848698E-06 0.6171031E-02 0.6200379E+01 0.0000 2 H2O 0.1000000E+01 0.5550251E+02 0.9967356E+06 0.0000 3 Cl- 0.3417656E-01 0.3539230E-01 0.1250799E+04 5.2609 4 SO4-- 0.1101697E-06 -.3119683E-04 -.2987350E+01 6.2460 5 HCO3- 0.2081807E-02 0.7977614E-02 0.4852339E+03 4.0482 6 HS- 0.5133291E-03 0.1093163E-02 0.3603887E+02 3.4379 7 H4SiO4 0.5487567E-02 0.5561378E-02 0.5328453E+03 -2.2606 8 Al+++ 0.1874087E-21 0.2524950E-05 0.6791171E-01 -2.3351 9 Ca++ 0.2145901E-04 0.4103043E-04 0.1639222E+01 8.5258 10 Mg++ 0.5122576E-07 0.9891970E-07 0.2397338E-02 5.8963 11 Fe++ 0.4817418E-10 0.1040102E-08 0.5790309E-04 2.8714 12 K+ 0.4255940E-02 0.4280810E-02 0.1668594E+03 4.3595 13 Na+ 0.3285757E-01 0.3413979E-01 0.7823875E+03 5.2440 14 Mn++ 0.3396438E-09 0.3130682E-08 0.1714500E-03 3.7210 15 Zn++ 0.1790957E-13 0.1762693E-07 0.1148632E-02 -0.5583 16 Cu+ 0.1835894E-12 0.6204174E-07 0.3929678E-02 -6.0089 17 Pb++ 0.7324023E-13 0.1278817E-07 0.2641210E-02 0.0634 18 Hg++ 0.3756740E-34 0.8926190E-10 0.1784848E-04 -21.2286 19 F- 0.2687571E-03 0.2808850E-03 0.5319395E+01 3.1517 Component Tot moles Aq. moles Solid moles Gas moles 1 H+ 0.1822172E+00 0.5356393E-02 -.5012911E-06 0.1768613E+00 2 H2O 0.5550825E+02 0.4817563E+02 -.6055880E-02 0.7338683E+01 3 Cl- 0.3072017E-01 0.3072017E-01 0.0000000E+00 0.8326079E-09 4 SO4-- -.4257700E-02 -.2707853E-04 0.2130623E-09 -.4230622E-02 5 HCO3- 0.1832100E+00 0.6924489E-02 0.0000000E+00 0.1762855E+00 6 HS- 0.9985820E-02 0.9488545E-03 0.6604932E-08 0.9036959E-02 7 H4SiO4 0.7855346E-02 0.4827220E-02 0.3028126E-02 0.0000000E+00 8 Al+++ 0.2253680E-05 0.2191631E-05 0.6204883E-07 0.0000000E+00 9 Ca++ 0.3561400E-04 0.3561400E-04 0.0000000E+00 0.0000000E+00 10 Mg++ 0.2355503E-06 0.8586131E-07 0.1496890E-06 0.0000000E+00 11 Fe++ 0.8017372E-08 0.9027984E-09 0.7114574E-08 0.0000000E+00 12 K+ 0.3715700E-02 0.3715700E-02 0.0000000E+00 0.0000000E+00 13 Na+ 0.2963300E-01 0.2963300E-01 0.0000000E+00 0.0000000E+00 14 Mn++ 0.2740424E-08 0.2717401E-08 0.2302317E-10 0.0000000E+00 15 Zn++ 0.1530000E-07 0.1530000E-07 0.0000000E+00 0.0000000E+00 16 Cu+ 0.6237410E-07 0.5385161E-07 0.8522493E-08 0.0000000E+00 17 Pb++ 0.1110000E-07 0.1110000E-07 0.0000000E+00 0.0000000E+00 18 Hg++ 0.4000000E-08 0.7747844E-10 0.0000000E+00 0.3922522E-08 19 F- 0.2439100E-03 0.2438054E-03 0.0000000E+00 0.1046382E-06 Chg. balance for solid moles: 0.3588E-17 Mass of aqueous solution: 0.870741E+03 g Temperature = 230.00 C Pressure = 28.21 bar Mixer frac. = 0.0000000 Log Log Vol Gas or mineral Moles Moles Grams Grams Wt.% (cm3) H2O,gas 7.504 0.875 135.1 2.131 94.51 9568. CO2,gas 0.1734 -0.761 7.632 0.883 5.337 269.2 CH4,gas 0.2862E-02 -2.543 0.4590E-01 -1.338 0.3210E-01 4.813 H2,gas 0.5475E-02 -2.262 0.1106E-01 -1.956 0.7734E-02 8.209 H2S,gas 0.4806E-02 -2.318 0.1638 -0.786 0.1145 6.808 CO,gas 0.1133E-05 -5.946 0.3174E-04 -4.498 0.2220E-04 0.1681E-02 SO2,gas 0.1434E-12 -12.843 0.9186E-11 -11.037 0.6424E-11 0.2126E-09 HF,gas 0.1046E-06 -6.980 0.2093E-05 -5.679 0.1464E-05 0.1552E-03 HCl,gas 0.8326E-09 -9.080 0.3036E-07 -7.518 0.2123E-07 0.1235E-05 Hg,gas 0.3923E-08 -8.406 0.7868E-06 -6.104 0.5502E-06 0.5816E-05 clinochlore 0.2994E-07 -7.524 0.1664E-04 -4.779 0.9146E-02 0.6330E-05 daphnite 0.1082E-08 -8.966 0.7720E-06 -6.112 0.4243E-03 0.2339E-06 chlorite-Mn 0.4605E-11 -11.337 0.3265E-08 -8.486 0.1794E-05 0.1040E-08 quartz 0.3028E-02 -2.519 0.1819 -0.740 99.99 0.6870E-01 bornite 0.1704E-08 -8.768 0.8553E-06 -6.068 0.4701E-03 0.1683E-06 Partial press. Fugacity coef Log fugacity Gas or Mineral Mole fraction or activity Activity coef Log activity H2O,gas 0.9757E+00 0.2753E+02 0.8802 1.384 CO2,gas 0.2255E-01 0.6362E+00 1.0075 -0.193 CH4,gas 0.3721E-03 0.1050E-01 1.1181 -1.930 H2,gas 0.7119E-03 0.2009E-01 1.0112 -1.692 H2S,gas 0.6250E-03 0.1763E-01 0.9554 -1.774 CO,gas 0.1474E-06 0.4158E-05 1.0000 -5.381 SO2,gas 0.1865E-13 0.5261E-12 1.0000 -12.279 HF,gas 0.1361E-07 0.3839E-06 1.0000 -6.416 HCl,gas 0.1083E-09 0.3054E-08 1.0000 -8.515 Hg,gas 0.5101E-09 0.1439E-07 1.0000 -7.842 clinochlore 0.9650E+00 0.9650E+00 1.0000 -0.015 daphnite 0.3488E-01 0.3488E-01 1.0000 -1.457 chlorite-Mn 0.1484E-03 0.1484E-03 1.0000 -3.829 quartz 0.1000E+01 0.1000E+01 1.0000 0.000 bornite 0.1000E+01 0.1000E+01 1.0000 0.000 Current weight percent of gas: 14.103302 % Solid products produced: Mass = 0.181942 g Volume = 0.068709 cm3 WARNING: mineral volume may be in error because some mineral densities were not supplied in SOLTHERM. See mineral list in file Skip_Species.txt. NON-Ideal mixing with H2O, CO2, CH4 Gases ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ The following gases and minerals are presently in matrix or were just added Gas or Mineral Log K Log Q Log(Q/K) Log(Q/K)/S Affinity Log Fugacity 1 H2O,gas 0.07 0.07 -0.00 -0.000 0.75392E-09 2 CO2,gas -8.05 -8.05 0.00 0.000 -0.25357E-09 3 CH4,gas 4.62 4.62 0.00 0.000 -0.72593E-09 4 H2,gas 5.88 5.88 0.00 0.000 -0.61346E-10 5 H2S,gas -7.08 -7.08 -0.00 -0.000 0.23721E-09 6 CO,gas -0.13 -0.13 -0.00 -0.000 0.15337E-11 7 SO2,gas -4.78 -4.78 0.00 0.000 -0.40898E-11 8 HF,gas -2.73 -2.73 0.00 0.000 -0.10224E-11 9 HCl,gas 1.48 1.48 -0.00 -0.000 0.35785E-11 10 Hg,gas -9.20 -9.20 0.00 0.000 -0.12269E-10 43 clinochlore 18.11 18.11 0.00 0.000 -0.24539E-10 44 daphnite 10.19 10.19 0.00 0.000 -0.36808E-10 45 chlorite-Mn 26.30 26.30 0.00 0.000 -0.57257E-10 146 quartz -2.26 -2.26 0.00 0.000 0.00000E+00 198 bornite -69.76 -69.76 0.00 0.000 0.00000E+00 The following gases and minerals are presently EXCLUDED from matrix (Gases and minerals with log(Q/K) less than -5 are not listed below) Gas or Mineral Log K Log Q Log(Q/K) Log(Q/K)/S Affinity Log Fugacity 11 acmite 5.22 2.23 -2.99 -0.311 0.68933E+04 15 albite-high -2.83 -3.87 -1.05 -0.080 0.24077E+04 16 albite -3.40 -3.87 -0.48 -0.037 0.10943E+04 20 analcite -0.41 -1.61 -1.20 -0.134 0.27736E+04 21 andalusite -3.78 -6.93 -3.15 -0.315 0.72631E+04 22 andradite 25.05 21.80 -3.25 -0.169 0.74734E+04 23 grossular 15.97 14.13 -1.85 -0.092 0.42550E+04 24 anhydrite -7.95 -12.72 -4.77 -2.383 0.10973E+05 25 ankerite -5.45 -7.99 -2.54 -0.424 0.58507E+04 26 annite 8.85 3.86 -5.00 -0.278 0.11503E+05 27 phlogopite 14.29 12.93 -1.35 -0.075 0.31195E+04 29 anorthite 1.10 -0.67 -1.76 -0.136 0.40556E+04 32 aragonite -0.84 -1.17 -0.33 -0.110 0.75874E+03 33 brucite 8.70 5.90 -2.81 -0.561 0.64618E+04 34 calcite -0.99 -1.17 -0.18 -0.059 0.40695E+03 35 carnegieite-low 3.74 0.65 -3.09 -0.441 0.71087E+04 36 carnegieite-high 4.32 0.65 -3.67 -0.524 0.84516E+04 37 carpholite-Mg -0.95 -3.30 -2.34 -0.156 0.53880E+04 38 carpholite-Fe -2.43 -6.32 -3.89 -0.259 0.89585E+04 39 celadonite 0.88 -1.12 -2.00 -0.118 0.46145E+04 40 celadonite-Fe -0.41 -4.15 -3.73 -0.220 0.85940E+04 41 chrysotile 15.40 13.17 -2.23 -0.186 0.51359E+04 46 chlorite-Al-free 30.47 26.34 -4.14 -0.172 0.95302E+04 47 chloritoid-Mg 1.89 -1.03 -2.93 -0.195 0.67405E+04 48 chloritoid-Fe -1.03 -4.06 -3.03 -0.202 0.69695E+04 49 chloritoid-Mn 1.18 -3.21 -4.39 -0.292 0.10101E+05 51 coesite -1.78 -2.26 -0.48 -0.159 0.10955E+04 56 corundum -1.22 -4.67 -3.45 -0.314 0.79452E+04 58 cristobalite -2.03 -2.26 -0.23 -0.078 0.53792E+03 61 cymrite-K -1.36 -4.76 -3.40 -0.283 0.78218E+04 63 diaspore -1.12 -2.34 -1.21 -0.202 0.27962E+04 64 diamond -1.94 -4.23 -2.28 -0.653 0.52605E+04 65 diopside 10.34 9.90 -0.43 -0.043 0.10005E+04 66 hedenbergite 8.76 6.88 -1.88 -0.188 0.43389E+04 67 dolomite,ordered -3.36 -4.97 -1.61 -0.268 0.37079E+04 68 eastonite 9.07 4.63 -4.44 -0.171 0.10226E+05 69 enstatite 10.31 7.27 -3.04 -0.304 0.69930E+04 70 clinoenstatite-HiP 11.13 7.27 -3.86 -0.386 0.88768E+04 71 clinoenstatite 10.24 7.27 -2.97 -0.297 0.68341E+04 72 protoenstatite 10.66 7.27 -3.39 -0.339 0.78061E+04 73 epidote 8.86 7.10 -1.75 -0.085 0.40349E+04 74 clinozoisite 5.09 3.26 -1.83 -0.083 0.42098E+04 75 epidote-Fe 15.13 10.94 -4.19 -0.217 0.96364E+04 76 fayalite 7.81 3.48 -4.32 -0.618 0.99539E+04 77 ferrosilite 5.66 1.22 -4.43 -0.443 0.10208E+05 78 forsterite 13.09 9.53 -3.56 -0.509 0.81987E+04 81 gibbsite 0.22 -2.34 -2.55 -0.364 0.58714E+04 82 glaucophane 8.86 5.42 -3.44 -0.093 0.79193E+04 84 goethite 3.73 1.50 -2.23 -0.481 0.51246E+04 85 graphite -2.33 -4.23 -1.90 -0.543 0.43754E+04 88 halite 1.07 -3.24 -4.31 -2.153 0.99136E+04 89 hematite 6.64 3.01 -3.63 -0.440 0.83546E+04 90 heulandite -11.39 -11.97 -0.58 -0.026 0.13314E+04 94 jadeite 0.49 -1.61 -2.10 -0.210 0.48376E+04 96 kalsilite 2.84 -0.24 -3.08 -0.440 0.70885E+04 97 kaolinite -7.09 -9.19 -2.10 -0.191 0.48336E+04 98 kyanite -3.74 -6.93 -3.19 -0.319 0.73445E+04 100 laumontite -4.36 -5.19 -0.83 -0.055 0.19108E+04 101 lawsonite 0.70 -0.67 -1.37 -0.091 0.31451E+04 102 leucite -0.03 -2.50 -2.47 -0.247 0.56858E+04 104 lizardite 15.09 13.17 -1.93 -0.161 0.44354E+04 105 magnesite -1.69 -3.80 -2.11 -0.704 0.48647E+04 106 magnetite 10.88 5.88 -4.99 -0.408 0.11500E+05 107 minnesotaite 4.47 -0.43 -4.90 -0.288 0.11274E+05 108 minnesotaite-Mg 12.29 8.65 -3.64 -0.214 0.83824E+04 112 margarite -1.95 -5.34 -3.38 -0.135 0.77874E+04 115 microcline -4.64 -4.76 -0.12 -0.009 0.27101E+03 116 monticellite 16.33 12.16 -4.17 -0.595 0.95905E+04 118 mullite-Si -2.22 -6.93 -4.71 -0.471 0.10854E+05 119 muscovite -7.57 -9.43 -1.85 -0.109 0.42665E+04 120 paragonite -6.55 -8.54 -2.00 -0.118 0.45993E+04 121 nepheline 3.20 0.65 -2.55 -0.364 0.58718E+04 126 periclase 10.75 5.90 -4.85 -1.213 0.11168E+05 127 periclase-Fe 7.29 2.87 -4.42 -1.104 0.10166E+05 133 phlogopite-Na 15.90 13.82 -2.08 -0.116 0.47945E+04 135 prehnite 6.55 5.60 -0.95 -0.056 0.21819E+04 136 prehnite-Fe 11.12 9.44 -1.68 -0.101 0.38718E+04 137 pumpellyite-Fe 15.47 11.74 -3.73 -0.083 0.85927E+04 138 pumpellyite-Mg 17.54 14.76 -2.78 -0.062 0.63951E+04 140 px-Ca-tschermaks 5.85 1.59 -4.26 -0.304 0.97965E+04 141 pyrite -19.51 -20.47 -0.96 -0.226 0.22113E+04 142 pyrrhotite -5.62 -7.43 -1.81 -0.605 0.41770E+04 143 pyrrhotiteFe0.875 -6.83 -8.13 -1.30 -0.480 0.30019E+04 144 pyroxmangite 4.70 1.46 -3.24 -0.648 0.74598E+04 145 pyrophyllite -11.37 -13.71 -2.34 -0.146 0.53844E+04 151 rhodochrosite -2.44 -5.97 -3.53 -1.177 0.81299E+04 152 rhodonite 4.72 1.46 -3.26 -0.652 0.75015E+04 153 sanidine -3.74 -4.76 -1.02 -0.078 0.23382E+04 155 siderite -4.18 -6.82 -2.65 -0.883 0.60964E+04 156 sillimanite -3.62 -6.93 -3.31 -0.331 0.76247E+04 163 stilbite -10.57 -11.97 -1.40 -0.067 0.32154E+04 165 stilpnomelane-Mg 9.77 8.91 -0.87 -0.026 0.19993E+04 166 stishovite 2.21 -2.26 -4.47 -1.489 0.10284E+05 168 sudoite 0.63 -4.33 -4.96 -0.160 0.11410E+05 169 sulfur -8.71 -13.04 -4.33 -1.333 0.99706E+04 171 talc 9.31 8.65 -0.66 -0.039 0.15177E+04 173 talc-tschermaks 4.85 0.34 -4.51 -0.265 0.10390E+05 178 topaz-H -3.04 -6.93 -3.89 -0.354 0.89675E+04 179 tridymite -2.05 -2.26 -0.21 -0.069 0.47511E+03 180 tremolite 29.14 28.45 -0.69 -0.019 0.15971E+04 182 troilite-low -5.66 -7.43 -1.78 -0.592 0.40904E+04 188 wairakite -4.60 -5.19 -0.59 -0.034 0.13470E+04 189 walstromite 8.03 6.27 -1.76 -0.352 0.40540E+04 190 wollastonite 7.26 6.27 -1.00 -0.199 0.22955E+04 191 pseudo-wollastonite 7.60 6.27 -1.33 -0.266 0.30672E+04 192 zoisite 5.13 3.26 -1.86 -0.085 0.42931E+04 193 beidellite-Ca -9.37 -12.33 -2.96 -0.183 0.68238E+04 194 beidellite-H -9.73 -13.74 -4.01 -0.256 0.92325E+04 195 beidellite-K -8.80 -12.30 -3.50 -0.214 0.80641E+04 196 beidellite-Mg -9.60 -12.76 -3.17 -0.196 0.72897E+04 197 beidellite-Na -8.74 -12.01 -3.27 -0.200 0.75287E+04 200 chalcedony -2.12 -2.26 -0.14 -0.047 0.32141E+03 201 chalcocite -20.92 -22.32 -1.41 -0.351 0.32355E+04 202 covellite -15.66 -17.68 -2.02 -0.770 0.46565E+04 204 montmorillonite-Ca -7.82 -9.59 -1.77 -0.109 0.40669E+04 205 montmorillonite-K -7.37 -9.56 -2.19 -0.134 0.50351E+04 206 montmorillonite-Mg -8.08 -10.02 -1.94 -0.120 0.44750E+04 207 montmorillonite-Na -7.23 -9.27 -2.03 -0.125 0.46833E+04 209 nontronite-Ca -0.98 -4.65 -3.67 -0.238 0.84452E+04 210 nontronite-H -1.35 -6.06 -4.71 -0.316 0.10844E+05 211 nontronite-K -0.41 -4.62 -4.21 -0.270 0.96830E+04 212 nontronite-Mg -1.21 -5.09 -3.87 -0.251 0.89181E+04 213 nontronite-Na -0.35 -4.33 -3.98 -0.255 0.91525E+04 229 tobermorite 8.30 4.84 -3.46 -0.943 0.79590E+04 235 alabandite -2.83 -6.59 -3.76 -1.253 0.86555E+04 240 boehmite -0.20 -2.34 -2.13 -0.356 0.49133E+04 242 chalcopyrite -24.56 -25.12 -0.55 -0.103 0.12716E+04 245 copper,native -1.18 -4.64 -3.46 -1.204 0.79680E+04 246 dolomite,disordered -3.00 -4.97 -1.97 -0.329 0.45387E+04 247 ferrous-oxide 5.89 2.87 -3.02 -0.755 0.69544E+04 248 fluorite -11.21 -12.66 -1.45 -0.483 0.33338E+04 249 galena -10.19 -10.24 -0.05 -0.016 0.11388E+03 257 silica-amorphous -1.71 -2.26 -0.55 -0.183 0.12645E+04 260 sphalerite -10.04 -10.86 -0.83 -0.276 0.19064E+04 261 wurtzite -8.68 -10.86 -2.18 -0.728 0.50287E+04 263 an20ab80 -2.72 -3.23 -0.52 -0.040 0.11862E+04 264 an25ab75 -2.52 -3.07 -0.55 -0.042 0.12716E+04 265 an30ab70 -2.31 -2.91 -0.60 -0.046 0.13714E+04 266 tr.625ac.25prg.125 25.14 24.28 -0.86 -0.023 0.19816E+04 271 FeS-amorphous -3.97 -7.43 -3.47 -1.155 0.79810E+04 Calculations done for 230.0000 Deg. C; 28.2118 bar Enthalpies: Pure water 4.2638 kcal/mole H2O,gas 12.0710 kcal/mole CO2,gas 2.9505 kcal/mole CH4,gas 2.8598 kcal/mole Current solution 205.4329 Gas 91.0977 kcal Total current enthalpy 296.5306 kcal Starting enthalpy 296.5306 kcal Temperature changed by -2.000 degrees to 228.000 degrees C. Solids and gases carried ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ Test file for CHIM-XPT. Boil Broadlands Water Water similar to Broadlands Well No. 2 CHIMRUN demo-2a ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ Number of loops used = 13 Loop limit = 200 Temperature = 228.00 C Pressure = 27.17 bar Mixer fraction = 0.0000000 Total current enthalpy = 296.5306 KCAL Water: Moles liquid = 0.4794E+02 kg liquid = 0.8636E+00 Moles total = 0.5551E+02 kg total = 0.1000E+01 Activity = 0.9999 Stoichiometric ionic strength = .4158955E-01 Osmotic coef. = 0.9068 True ionic strength = .3741929E-01 Chg. balance for total moles = 0.2402E-07 Max. difference allowed = 0.3072E-05 Log Log Log Species(n) Molality Molality Activity Activity Gamma Gamma 1 H+ 0.17972E-06 -6.7454 0.13076E-06 -6.8835 0.72758E+00 -0.1381 2 H2O 0.99989E+00 -0.0000 0.99989E+00 -0.0000 3 Cl- 0.34381E-01 -1.4637 0.24678E-01 -1.6077 0.71778E+00 -0.1440 4 SO4-- 0.12055E-06 -6.9188 0.34992E-07 -7.4560 0.29027E+00 -0.5372 5 HCO3- 0.20946E-02 -2.6789 0.15124E-02 -2.8203 0.72205E+00 -0.1414 6 HS- 0.51250E-03 -3.2903 0.36809E-03 -3.4340 0.71823E+00 -0.1437 7 H4SiO4 0.53808E-02 -2.2692 0.53808E-02 -2.2692 0.10000E+01 0.0000 8 Al+++ 0.19464E-21 -21.7108 0.11799E-22 -22.9281 0.60620E-01 -1.2174 9 Ca++ 0.22022E-04 -4.6571 0.62507E-05 -5.2041 0.28384E+00 -0.5469 10 Mg++ 0.52146E-07 -7.2828 0.14554E-07 -7.8370 0.27910E+00 -0.5542 11 Fe++ 0.45748E-10 -10.3396 0.12821E-10 -10.8921 0.28026E+00 -0.5524 12 K+ 0.42784E-02 -2.3687 0.30942E-02 -2.5095 0.72320E+00 -0.1407 13 Na+ 0.33055E-01 -1.4808 0.23734E-01 -1.6246 0.71800E+00 -0.1439 14 Mn++ 0.35908E-09 -9.4448 0.10095E-09 -9.9959 0.28113E+00 -0.5511 15 Zn++ 0.19453E-13 -13.7110 0.54518E-14 -14.2635 0.28026E+00 -0.5524 16 Cu+ 0.16713E-12 -12.7769 0.11998E-12 -12.9209 0.71785E+00 -0.1440 17 Pb++ 0.75723E-13 -13.1208 0.21717E-13 -13.6632 0.28679E+00 -0.5424 18 Hg++ 0.31338E-34 -34.5039 0.89435E-35 -35.0485 0.28539E+00 -0.5446 19 F- 0.27064E-03 -3.5676 0.19213E-03 -3.7164 0.70992E+00 -0.1488 21 HSiO3- 0.62960E-04 -4.2009 0.45191E-04 -4.3449 0.71778E+00 -0.1440 22 Ca(HSiO3)+ 0.14161E-06 -6.8489 0.10249E-06 -6.9893 0.72376E+00 -0.1404 23 Mg(HSiO3)+ 0.24847E-09 -9.6047 0.17983E-09 -9.7451 0.72376E+00 -0.1404 24 NaHSiO3,aq 0.12431E-04 -4.9055 0.12431E-04 -4.9055 0.10000E+01 0.0000 27 HAlO2,aq 0.76353E-08 -8.1172 0.76353E-08 -8.1172 0.10000E+01 0.0000 28 AlO2- 0.25300E-05 -5.5969 0.17992E-05 -5.7449 0.71115E+00 -0.1480 29 CH4,aq 0.19105E-04 -4.7188 0.18865E-04 -4.7243 0.98744E+00 -0.0055 34 CO,aq 0.82859E-08 -8.0817 0.82859E-08 -8.0817 0.10000E+01 0.0000 35 CO2,aq 0.53879E-02 -2.2686 0.53202E-02 -2.2741 0.98744E+00 -0.0055 36 CO3-2 0.85284E-06 -6.0691 0.24578E-06 -6.6095 0.28819E+00 -0.5403 37 CaCO3,aq 0.11333E-05 -5.9457 0.11333E-05 -5.9457 0.10000E+01 0.0000 38 Ca(HCO3)+ 0.69804E-05 -5.1561 0.50521E-05 -5.2965 0.72376E+00 -0.1404 39 CaCl+ 0.79695E-05 -5.0986 0.57680E-05 -5.2390 0.72376E+00 -0.1404 40 CaCl2,aq 0.84436E-07 -7.0735 0.84436E-07 -7.0735 0.10000E+01 0.0000 41 CaF+ 0.62721E-06 -6.2026 0.45395E-06 -6.3430 0.72376E+00 -0.1404 42 CaOH+ 0.22787E-05 -5.6423 0.16492E-05 -5.7827 0.72376E+00 -0.1404 43 CaSO4,aq 0.13836E-08 -8.8590 0.13836E-08 -8.8590 0.10000E+01 0.0000 44 HCl,aq 0.43857E-08 -8.3580 0.43857E-08 -8.3580 0.10000E+01 0.0000 53 CuCl,aq 0.22901E-10 -10.6401 0.22901E-10 -10.6401 0.10000E+01 0.0000 54 CuCl2- 0.16200E-10 -10.7905 0.11628E-10 -10.9345 0.71778E+00 -0.1440 61 HF,aq 0.37403E-05 -5.4271 0.37403E-05 -5.4271 0.10000E+01 0.0000 62 HF2- 0.31210E-09 -9.5057 0.22402E-09 -9.6497 0.71778E+00 -0.1440 64 FeCl+ 0.11177E-10 -10.9517 0.80896E-11 -11.0921 0.72376E+00 -0.1404 69 FeO,aq 0.29843E-09 -9.5252 0.29843E-09 -9.5252 0.10000E+01 0.0000 70 FeOH+ 0.33628E-09 -9.4733 0.24339E-09 -9.6137 0.72376E+00 -0.1404 71 HFeO2- 0.11957E-09 -9.9224 0.85825E-10 -10.0664 0.71778E+00 -0.1440 74 FeO2- 0.10463E-09 -9.9804 0.75100E-10 -10.1244 0.71778E+00 -0.1440 75 HFeO2,aq 0.37319E-10 -10.4281 0.37319E-10 -10.4281 0.10000E+01 0.0000 76 H2,aq 0.38156E-04 -4.4184 0.37677E-04 -4.4239 0.98744E+00 -0.0055 77 Hg,aq 0.81133E-10 -10.0908 0.80114E-10 -10.0963 0.98744E+00 -0.0055 90 KCl,aq 0.23626E-04 -4.6266 0.23626E-04 -4.6266 0.10000E+01 0.0000 92 KOH,aq 0.43777E-06 -6.3588 0.43777E-06 -6.3588 0.10000E+01 0.0000 93 KSO4- 0.23048E-07 -7.6374 0.16543E-07 -7.7814 0.71778E+00 -0.1440 94 MgCO3,aq 0.32316E-09 -9.4906 0.32316E-09 -9.4906 0.10000E+01 0.0000 95 Mg(HCO3)+ 0.15177E-07 -7.8188 0.10984E-07 -7.9592 0.72376E+00 -0.1404 96 MgCl+ 0.96471E-08 -8.0156 0.69822E-08 -8.1560 0.72376E+00 -0.1404 97 MgF+ 0.41117E-08 -8.3860 0.29759E-08 -8.5264 0.72376E+00 -0.1404 98 MgOH+ 0.17105E-07 -7.7669 0.12380E-07 -7.9073 0.72376E+00 -0.1404 101 MnO,aq 0.70473E-10 -10.1520 0.70473E-10 -10.1520 0.10000E+01 0.0000 102 MnOH+ 0.37698E-09 -9.4237 0.27284E-09 -9.5641 0.72376E+00 -0.1404 107 MnCl+ 0.14135E-08 -8.8497 0.10230E-08 -8.9901 0.72376E+00 -0.1404 109 NaCl,aq 0.11587E-02 -2.9360 0.11587E-02 -2.9360 0.10000E+01 0.0000 110 NaF,aq 0.73032E-05 -5.1365 0.73032E-05 -5.1365 0.10000E+01 0.0000 111 NaOH,aq 0.22321E-05 -5.6513 0.22321E-05 -5.6513 0.10000E+01 0.0000 113 OH- 0.69362E-04 -4.1589 0.49327E-04 -4.3069 0.71115E+00 -0.1480 122 PbO,aq 0.18772E-10 -10.7265 0.18772E-10 -10.7265 0.10000E+01 0.0000 124 Pb(HS)2,aq 0.12155E-07 -7.9152 0.12155E-07 -7.9152 0.10000E+01 0.0000 125 Pb(HS)3- 0.18929E-09 -9.7229 0.13587E-09 -9.8669 0.71778E+00 -0.1440 126 H2S,aq 0.49906E-03 -3.3018 0.49279E-03 -3.3073 0.98744E+00 -0.0055 127 S2-2 0.13721E-09 -9.8626 0.39542E-10 -10.4029 0.28819E+00 -0.5403 134 HSO3- 0.13026E-10 -10.8852 0.93494E-11 -11.0292 0.71778E+00 -0.1440 135 HSO4- 0.50520E-09 -9.2965 0.36668E-09 -9.4357 0.72581E+00 -0.1392 153 ZnO,aq 0.12510E-10 -10.9027 0.12510E-10 -10.9027 0.10000E+01 0.0000 154 ZnOH+ 0.15537E-09 -9.8086 0.11245E-09 -9.9490 0.72376E+00 -0.1404 159 AlF3,aq 0.12292E-10 -10.9104 0.12292E-10 -10.9104 0.10000E+01 0.0000 164 Cu(HS)2- 0.60076E-07 -7.2213 0.43121E-07 -7.3653 0.71778E+00 -0.1440 166 CuH4S3-b 0.94855E-10 -10.0229 0.68085E-10 -10.1670 0.71778E+00 -0.1440 179 MgSO4,aq 0.10517E-10 -10.9781 0.10517E-10 -10.9781 0.10000E+01 0.0000 180 MnCl2,aq 0.60183E-09 -9.2205 0.60183E-09 -9.2205 0.10000E+01 0.0000 181 MnCl3- 0.10170E-09 -9.9927 0.72996E-10 -10.1367 0.71778E+00 -0.1440 182 MnCO3,aq 0.21462E-09 -9.6683 0.21462E-09 -9.6683 0.10000E+01 0.0000 183 NaCO3- 0.45013E-06 -6.3467 0.32310E-06 -6.4907 0.71778E+00 -0.1440 184 NaHCO3,aq 0.61183E-04 -4.2134 0.61183E-04 -4.2134 0.10000E+01 0.0000 185 NaHS,aq 0.14891E-04 -4.8271 0.14891E-04 -4.8271 0.10000E+01 0.0000 186 NaSO4- 0.40346E-07 -7.3942 0.28959E-07 -7.5382 0.71778E+00 -0.1440 187 PbCO3,aq 0.41073E-09 -9.3864 0.41073E-09 -9.3864 0.10000E+01 0.0000 188 PbOH+ 0.70708E-10 -10.1505 0.51176E-10 -10.2909 0.72376E+00 -0.1404 193 Zn(HS)2,aq 0.17199E-07 -7.7645 0.17199E-07 -7.7645 0.10000E+01 0.0000 194 Zn(HS)3- 0.34156E-09 -9.4665 0.24516E-09 -9.6105 0.71778E+00 -0.1440 Charge balance for all species = 0.2781E-07 Component Molality Aq.molality ppm log[A(N)/A(H+)**Z] (total) 1 H+ 0.1797217E-06 0.5718937E-02 0.5746236E+01 0.0000 2 H2O 0.1000000E+01 0.5550292E+02 0.9967605E+06 0.0000 3 Cl- 0.3438108E-01 0.3557153E-01 0.1257155E+04 5.2758 4 SO4-- 0.1205506E-06 -.2846043E-04 -.2725366E+01 6.3110 5 HCO3- 0.2094634E-02 0.7572288E-02 0.4605882E+03 4.0632 6 HS- 0.5125002E-03 0.1055281E-02 0.3479062E+02 3.4495 7 H4SiO4 0.5380812E-02 0.5456345E-02 0.5227912E+03 -2.2692 8 Al+++ 0.1946398E-21 0.2537610E-05 0.6825343E-01 -2.2776 9 Ca++ 0.2202168E-04 0.4123820E-04 0.1647552E+01 8.5630 10 Mg++ 0.5214594E-07 0.9876876E-07 0.2393722E-02 5.9300 11 Fe++ 0.4574793E-10 0.9553525E-09 0.5318596E-04 2.8750 12 K+ 0.4278400E-02 0.4302487E-02 0.1677073E+03 4.3741 13 Na+ 0.3305548E-01 0.3431267E-01 0.7863633E+03 5.2589 14 Mn++ 0.3590843E-09 0.3145360E-08 0.1722569E-03 3.7711 15 Zn++ 0.1945268E-13 0.1771619E-07 0.1154469E-02 -0.4964 16 Cu+ 0.1671312E-12 0.6021211E-07 0.3813858E-02 -6.0374 17 Pb++ 0.7572310E-13 0.1285292E-07 0.2654631E-02 0.1038 18 Hg++ 0.3133761E-34 0.8166564E-10 0.1632985E-04 -21.2815 19 F- 0.2706370E-03 0.2823125E-03 0.5346523E+01 3.1671 Component Tot moles Aq. moles Solid moles Gas moles 1 H+ 0.1822172E+00 0.4938970E-02 -.5032242E-06 0.1772787E+00 2 H2O 0.5550825E+02 0.4793326E+02 -.6285938E-02 0.7581284E+01 3 Cl- 0.3072017E-01 0.3072017E-01 0.0000000E+00 0.7852722E-09 4 SO4-- -.4257700E-02 -.2457891E-04 0.2593479E-09 -.4233121E-02 5 HCO3- 0.1832100E+00 0.6539555E-02 0.0000000E+00 0.1766704E+00 6 HS- 0.9985820E-02 0.9113586E-03 0.8039784E-08 0.9074453E-02 7 H4SiO4 0.7855346E-02 0.4712191E-02 0.3143155E-02 0.0000000E+00 8 Al+++ 0.2253680E-05 0.2191523E-05 0.6215740E-07 0.0000000E+00 9 Ca++ 0.3561400E-04 0.3561400E-04 0.0000000E+00 0.0000000E+00 10 Mg++ 0.2355503E-06 0.8529836E-07 0.1502519E-06 0.0000000E+00 11 Fe++ 0.8017372E-08 0.8250585E-09 0.7192314E-08 0.0000000E+00 12 K+ 0.3715700E-02 0.3715700E-02 0.0000000E+00 0.0000000E+00 13 Na+ 0.2963300E-01 0.2963300E-01 0.0000000E+00 0.0000000E+00 14 Mn++ 0.2740424E-08 0.2716386E-08 0.2403819E-10 0.0000000E+00 15 Zn++ 0.1530000E-07 0.1530000E-07 0.0000000E+00 0.0000000E+00 16 Cu+ 0.6237410E-07 0.5200019E-07 0.1037391E-07 0.0000000E+00 17 Pb++ 0.1110000E-07 0.1110000E-07 0.0000000E+00 0.0000000E+00 18 Hg++ 0.4000000E-08 0.7052782E-10 0.0000000E+00 0.3929472E-08 19 F- 0.2439100E-03 0.2438098E-03 0.0000000E+00 0.1002166E-06 Chg. balance for solid moles: 0.1479E-16 Mass of aqueous solution: 0.866338E+03 g Temperature = 228.00 C Pressure = 27.17 bar Mixer frac. = 0.0000000 Log Log Vol Gas or mineral Moles Moles Grams Grams Wt.% (cm3) H2O,gas 7.747 0.889 139.5 2.145 94.66 0.1026E+05 CO2,gas 0.1738 -0.760 7.650 0.884 5.190 278.8 CH4,gas 0.2853E-02 -2.545 0.4576E-01 -1.340 0.3105E-01 4.948 H2,gas 0.5520E-02 -2.258 0.1115E-01 -1.953 0.7565E-02 8.557 H2S,gas 0.4841E-02 -2.315 0.1650 -0.783 0.1119 7.101 CO,gas 0.1066E-05 -5.972 0.2985E-04 -4.525 0.2025E-04 0.1634E-02 SO2,gas 0.1324E-12 -12.878 0.8478E-11 -11.072 0.5752E-11 0.2030E-09 HF,gas 0.1002E-06 -6.999 0.2004E-05 -5.698 0.1360E-05 0.1537E-03 HCl,gas 0.7853E-09 -9.105 0.2863E-07 -7.543 0.1943E-07 0.1204E-05 Hg,gas 0.3929E-08 -8.406 0.7882E-06 -6.103 0.5348E-06 0.6026E-05 clinochlore 0.3005E-07 -7.522 0.1670E-04 -4.777 0.8844E-02 0.6353E-05 daphnite 0.1024E-08 -8.990 0.7303E-06 -6.137 0.3867E-03 0.2213E-06 chlorite-Mn 0.4808E-11 -11.318 0.3408E-08 -8.467 0.1805E-05 0.1086E-08 quartz 0.3143E-02 -2.503 0.1888 -0.724 99.99 0.7131E-01 bornite 0.2075E-08 -8.683 0.1041E-05 -5.982 0.5513E-03 0.2048E-06 Partial press. Fugacity coef Log fugacity Gas or Mineral Mole fraction or activity Activity coef Log activity H2O,gas 0.9764E+00 0.2653E+02 0.8827 1.370 CO2,gas 0.2191E-01 0.5952E+00 1.0086 -0.222 CH4,gas 0.3596E-03 0.9769E-02 1.1155 -1.963 H2,gas 0.6958E-03 0.1890E-01 1.0108 -1.719 H2S,gas 0.6102E-03 0.1658E-01 0.9564 -1.800 CO,gas 0.1343E-06 0.3649E-05 1.0000 -5.438 SO2,gas 0.1668E-13 0.4532E-12 1.0000 -12.344 HF,gas 0.1263E-07 0.3432E-06 1.0000 -6.464 HCl,gas 0.9898E-10 0.2689E-08 1.0000 -8.570 Hg,gas 0.4953E-09 0.1346E-07 1.0000 -7.871 clinochlore 0.9669E+00 0.9669E+00 1.0000 -0.015 daphnite 0.3293E-01 0.3293E-01 1.0000 -1.482 chlorite-Mn 0.1547E-03 0.1547E-03 1.0000 -3.811 quartz 0.1000E+01 0.1000E+01 1.0000 0.000 bornite 0.1000E+01 0.1000E+01 1.0000 0.000 Current weight percent of gas: 14.536704 % Solid products produced: Mass = 0.188854 g Volume = 0.071319 cm3 WARNING: mineral volume may be in error because some mineral densities were not supplied in SOLTHERM. See mineral list in file Skip_Species.txt. NON-Ideal mixing with H2O, CO2, CH4 Gases ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ The following gases and minerals are presently in matrix or were just added Gas or Mineral Log K Log Q Log(Q/K) Log(Q/K)/S Affinity Log Fugacity 1 H2O,gas 0.06 0.06 -0.00 -0.000 0.56218E-09 2 CO2,gas -8.05 -8.05 0.00 0.000 -0.19145E-09 3 CH4,gas 4.60 4.60 0.00 0.000 -0.53974E-09 4 H2,gas 5.88 5.88 0.00 0.000 -0.44809E-10 5 H2S,gas -7.08 -7.08 -0.00 -0.000 0.18127E-09 6 CO,gas -0.11 -0.11 -0.00 -0.000 0.15276E-11 7 SO2,gas -4.72 -4.72 -0.00 -0.000 0.81470E-11 8 HF,gas -2.70 -2.70 0.00 0.000 0.00000E+00 9 HCl,gas 1.51 1.51 0.00 0.000 -0.45827E-11 10 Hg,gas -9.25 -9.25 0.00 0.000 -0.81470E-11 43 clinochlore 18.36 18.36 0.00 0.000 0.00000E+00 44 daphnite 10.42 10.42 0.00 0.000 -0.57029E-10 45 chlorite-Mn 26.55 26.55 0.00 0.000 -0.16294E-10 146 quartz -2.27 -2.27 0.00 0.000 0.00000E+00 198 bornite -69.95 -69.95 -0.00 -0.000 0.32588E-10 The following gases and minerals are presently EXCLUDED from matrix (Gases and minerals with log(Q/K) less than -5 are not listed below) Gas or Mineral Log K Log Q Log(Q/K) Log(Q/K)/S Affinity Log Fugacity 11 acmite 5.25 2.23 -3.02 -0.314 0.69232E+04 15 albite-high -2.78 -3.83 -1.04 -0.080 0.23915E+04 16 albite -3.36 -3.83 -0.47 -0.036 0.10701E+04 20 analcite -0.36 -1.56 -1.20 -0.133 0.27405E+04 21 andalusite -3.67 -6.82 -3.16 -0.316 0.72446E+04 22 andradite 25.22 21.91 -3.32 -0.172 0.76065E+04 23 grossular 16.18 14.33 -1.86 -0.093 0.42551E+04 24 anhydrite -7.90 -12.66 -4.76 -2.379 0.10912E+05 25 ankerite -5.40 -7.97 -2.57 -0.429 0.59004E+04 27 phlogopite 14.44 13.08 -1.36 -0.076 0.31229E+04 29 anorthite 1.24 -0.53 -1.77 -0.136 0.40627E+04 32 aragonite -0.81 -1.14 -0.33 -0.110 0.75760E+03 33 brucite 8.75 5.93 -2.82 -0.564 0.64621E+04 34 calcite -0.96 -1.14 -0.18 -0.059 0.40702E+03 35 carnegieite-low 3.80 0.71 -3.09 -0.441 0.70822E+04 36 carnegieite-high 4.39 0.71 -3.68 -0.525 0.84323E+04 37 carpholite-Mg -0.84 -3.16 -2.33 -0.155 0.53383E+04 38 carpholite-Fe -2.31 -6.22 -3.90 -0.260 0.89547E+04 39 celadonite 0.94 -1.05 -1.99 -0.117 0.45613E+04 40 celadonite-Fe -0.36 -4.10 -3.75 -0.220 0.85909E+04 41 chrysotile 15.50 13.25 -2.25 -0.187 0.51516E+04 46 chlorite-Al-free 30.67 26.50 -4.17 -0.174 0.95553E+04 47 chloritoid-Mg 2.03 -0.89 -2.93 -0.195 0.67141E+04 48 chloritoid-Fe -0.90 -3.95 -3.05 -0.203 0.69836E+04 49 chloritoid-Mn 1.31 -3.05 -4.36 -0.291 0.99960E+04 51 coesite -1.79 -2.27 -0.48 -0.159 0.10950E+04 56 corundum -1.10 -4.56 -3.46 -0.314 0.79265E+04 58 cristobalite -2.03 -2.27 -0.24 -0.079 0.54067E+03 61 cymrite-K -1.32 -4.71 -3.39 -0.282 0.77730E+04 63 diaspore -1.07 -2.28 -1.21 -0.201 0.27692E+04 64 diamond -1.95 -4.25 -2.30 -0.657 0.52704E+04 65 diopside 10.41 9.95 -0.45 -0.045 0.10343E+04 66 hedenbergite 8.83 6.90 -1.93 -0.193 0.44194E+04 67 dolomite,ordered -3.30 -4.91 -1.62 -0.270 0.37113E+04 68 eastonite 9.31 4.86 -4.44 -0.171 0.10190E+05 69 enstatite 10.39 7.32 -3.07 -0.307 0.70389E+04 70 clinoenstatite-HiP 11.21 7.32 -3.89 -0.389 0.89223E+04 71 clinoenstatite 10.32 7.32 -3.00 -0.300 0.68798E+04 72 protoenstatite 10.75 7.32 -3.42 -0.342 0.78541E+04 73 epidote 9.05 7.28 -1.78 -0.086 0.40807E+04 74 clinozoisite 5.31 3.49 -1.83 -0.083 0.41944E+04 75 epidote-Fe 15.31 11.06 -4.25 -0.221 0.97405E+04 76 fayalite 7.88 3.48 -4.40 -0.629 0.10091E+05 77 ferrosilite 5.72 1.21 -4.51 -0.451 0.10344E+05 78 forsterite 13.19 9.59 -3.60 -0.514 0.82456E+04 81 gibbsite 0.26 -2.28 -2.54 -0.363 0.58260E+04 82 glaucophane 9.03 5.60 -3.43 -0.093 0.78757E+04 84 goethite 3.76 1.51 -2.25 -0.487 0.51640E+04 85 graphite -2.34 -4.25 -1.91 -0.547 0.43874E+04 88 halite 1.08 -3.23 -4.31 -2.156 0.98877E+04 89 hematite 6.71 3.02 -3.69 -0.447 0.84573E+04 90 heulandite -11.32 -11.88 -0.56 -0.025 0.12757E+04 94 jadeite 0.54 -1.56 -2.09 -0.209 0.47987E+04 96 kalsilite 2.90 -0.17 -3.07 -0.439 0.70504E+04 97 kaolinite -7.02 -9.09 -2.07 -0.189 0.47583E+04 98 kyanite -3.63 -6.82 -3.19 -0.319 0.73217E+04 100 laumontite -4.27 -5.07 -0.80 -0.054 0.18431E+04 101 lawsonite 0.81 -0.53 -1.34 -0.090 0.30815E+04 102 leucite 0.02 -2.44 -2.47 -0.247 0.56562E+04 104 lizardite 15.19 13.25 -1.94 -0.161 0.44440E+04 105 magnesite -1.65 -3.77 -2.12 -0.708 0.48689E+04 107 minnesotaite 4.54 -0.45 -4.99 -0.294 0.11449E+05 108 minnesotaite-Mg 12.39 8.71 -3.67 -0.216 0.84206E+04 112 margarite -1.71 -5.09 -3.38 -0.135 0.77397E+04 115 microcline -4.61 -4.71 -0.10 -0.008 0.23000E+03 116 monticellite 16.42 12.22 -4.20 -0.600 0.96276E+04 118 mullite-Si -2.10 -6.82 -4.73 -0.473 0.10840E+05 119 muscovite -7.44 -9.27 -1.82 -0.107 0.41792E+04 120 paragonite -6.41 -8.38 -1.97 -0.116 0.45244E+04 121 nepheline 3.26 0.71 -2.55 -0.364 0.58459E+04 126 periclase 10.81 5.93 -4.88 -1.220 0.11191E+05 127 periclase-Fe 7.34 2.87 -4.46 -1.116 0.10236E+05 133 phlogopite-Na 16.06 13.96 -2.10 -0.117 0.48141E+04 135 prehnite 6.71 5.76 -0.94 -0.056 0.21652E+04 136 prehnite-Fe 11.26 9.55 -1.71 -0.103 0.39198E+04 137 pumpellyite-Fe 15.85 12.12 -3.73 -0.083 0.85527E+04 138 pumpellyite-Mg 17.93 15.18 -2.75 -0.061 0.63106E+04 140 px-Ca-tschermaks 6.01 1.74 -4.27 -0.305 0.97922E+04 141 pyrite -19.51 -20.49 -0.97 -0.229 0.22332E+04 142 pyrrhotite -5.59 -7.44 -1.85 -0.616 0.42391E+04 143 pyrrhotiteFe0.875 -6.81 -8.14 -1.33 -0.490 0.30532E+04 144 pyroxmangite 4.73 1.50 -3.23 -0.646 0.74092E+04 145 pyrophyllite -11.31 -13.63 -2.33 -0.145 0.53351E+04 151 rhodochrosite -2.42 -5.93 -3.51 -1.172 0.80598E+04 152 rhodonite 4.75 1.50 -3.25 -0.650 0.74515E+04 153 sanidine -3.71 -4.71 -1.00 -0.077 0.22973E+04 155 siderite -4.15 -6.83 -2.68 -0.893 0.61448E+04 156 sillimanite -3.51 -6.82 -3.32 -0.332 0.76074E+04 163 stilbite -10.53 -11.88 -1.35 -0.064 0.30845E+04 165 stilpnomelane-Mg 9.99 9.13 -0.86 -0.026 0.19723E+04 166 stishovite 2.21 -2.27 -4.48 -1.494 0.10276E+05 168 sudoite 0.88 -4.06 -4.94 -0.159 0.11331E+05 169 sulfur -8.70 -13.04 -4.34 -1.335 0.99529E+04 171 talc 9.39 8.71 -0.68 -0.040 0.15537E+04 173 talc-tschermaks 5.03 0.50 -4.53 -0.267 0.10391E+05 178 topaz-H -2.94 -6.82 -3.89 -0.353 0.89110E+04 179 tridymite -2.06 -2.27 -0.21 -0.069 0.47744E+03 180 tremolite 29.37 28.62 -0.74 -0.020 0.17044E+04 182 troilite-low -5.63 -7.44 -1.81 -0.603 0.41497E+04 188 wairakite -4.49 -5.07 -0.58 -0.034 0.13188E+04 189 walstromite 8.07 6.29 -1.77 -0.355 0.40681E+04 190 wollastonite 7.30 6.29 -1.01 -0.201 0.23091E+04 191 pseudo-wollastonite 7.64 6.29 -1.34 -0.269 0.30830E+04 192 zoisite 5.35 3.49 -1.87 -0.085 0.42781E+04 193 beidellite-Ca -9.27 -12.22 -2.95 -0.183 0.67757E+04 194 beidellite-H -9.63 -13.63 -4.00 -0.255 0.91794E+04 195 beidellite-K -8.70 -12.19 -3.49 -0.214 0.80017E+04 196 beidellite-Mg -9.50 -12.66 -3.16 -0.195 0.72434E+04 197 beidellite-Na -8.64 -11.90 -3.26 -0.199 0.74706E+04 200 chalcedony -2.13 -2.27 -0.14 -0.047 0.32141E+03 201 chalcocite -20.99 -22.39 -1.40 -0.350 0.32140E+04 202 covellite -15.70 -17.72 -2.02 -0.769 0.46290E+04 204 montmorillonite-Ca -7.75 -9.51 -1.76 -0.109 0.40332E+04 205 montmorillonite-K -7.30 -9.48 -2.18 -0.133 0.49902E+04 206 montmorillonite-Mg -8.01 -9.94 -1.94 -0.120 0.44424E+04 207 montmorillonite-Na -7.16 -9.19 -2.02 -0.124 0.46394E+04 209 nontronite-Ca -0.93 -4.64 -3.71 -0.241 0.85179E+04 210 nontronite-H -1.30 -6.06 -4.76 -0.319 0.10912E+05 211 nontronite-K -0.36 -4.61 -4.25 -0.273 0.97415E+04 212 nontronite-Mg -1.16 -5.08 -3.92 -0.254 0.89925E+04 213 nontronite-Na -0.30 -4.32 -4.02 -0.258 0.92151E+04 229 tobermorite 8.32 4.86 -3.45 -0.942 0.79168E+04 235 alabandite -2.79 -6.55 -3.75 -1.251 0.86049E+04 240 boehmite -0.14 -2.28 -2.13 -0.356 0.48937E+04 242 chalcopyrite -24.59 -25.16 -0.57 -0.106 0.13066E+04 245 copper,native -1.20 -4.67 -3.47 -1.207 0.79575E+04 246 dolomite,disordered -2.93 -4.91 -1.98 -0.331 0.45481E+04 247 ferrous-oxide 5.94 2.87 -3.06 -0.766 0.70264E+04 248 fluorite -11.18 -12.64 -1.46 -0.486 0.33436E+04 249 galena -10.21 -10.21 -0.01 -0.003 0.19797E+02 257 silica-amorphous -1.72 -2.27 -0.55 -0.185 0.12694E+04 260 sphalerite -10.03 -10.81 -0.78 -0.261 0.17980E+04 261 wurtzite -8.67 -10.81 -2.15 -0.715 0.49205E+04 263 an20ab80 -2.66 -3.17 -0.51 -0.039 0.11702E+04 264 an25ab75 -2.45 -3.00 -0.55 -0.042 0.12575E+04 265 an30ab70 -2.24 -2.84 -0.59 -0.046 0.13589E+04 266 tr.625ac.25prg.125 25.38 24.43 -0.94 -0.025 0.21644E+04 271 FeS-amorphous -3.95 -7.44 -3.49 -1.163 0.79997E+04 Calculations done for 228.0000 Deg. C; 27.1687 bar Enthalpies: Pure water 4.2241 kcal/mole H2O,gas 12.0729 kcal/mole CO2,gas 2.9042 kcal/mole CH4,gas 2.8146 kcal/mole Current solution 202.4922 Gas 94.0384 kcal Total current enthalpy 296.5306 kcal Starting enthalpy 296.5306 kcal Temperature changed by -2.000 degrees to 226.000 degrees C. Solids and gases carried ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ Test file for CHIM-XPT. Boil Broadlands Water Water similar to Broadlands Well No. 2 CHIMRUN demo-2a ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ Number of loops used = 13 Loop limit = 200 Temperature = 226.00 C Pressure = 26.16 bar Mixer fraction = 0.0000000 Total current enthalpy = 296.5306 KCAL Water: Moles liquid = 0.4770E+02 kg liquid = 0.8593E+00 Moles total = 0.5551E+02 kg total = 0.1000E+01 Activity = 0.9999 Stoichiometric ionic strength = .4157922E-01 Osmotic coef. = 0.9075 True ionic strength = .3763986E-01 Chg. balance for total moles = 0.2402E-07 Max. difference allowed = 0.3072E-05 Log Log Log Species(n) Molality Molality Activity Activity Gamma Gamma 1 H+ 0.17479E-06 -6.7575 0.12738E-06 -6.8949 0.72876E+00 -0.1374 2 H2O 0.99990E+00 -0.0000 0.99990E+00 -0.0000 3 Cl- 0.34584E-01 -1.4611 0.24866E-01 -1.6044 0.71900E+00 -0.1433 4 SO4-- 0.13167E-06 -6.8805 0.38463E-07 -7.4150 0.29212E+00 -0.5344 5 HCO3- 0.21078E-02 -2.6762 0.15244E-02 -2.8169 0.72325E+00 -0.1407 6 HS- 0.51149E-03 -3.2912 0.36800E-03 -3.4342 0.71946E+00 -0.1430 7 H4SiO4 0.52753E-02 -2.2778 0.52753E-02 -2.2778 0.10000E+01 0.0000 8 Al+++ 0.20277E-21 -21.6930 0.12471E-22 -22.9041 0.61505E-01 -1.2111 9 Ca++ 0.22584E-04 -4.6462 0.64520E-05 -5.1903 0.28569E+00 -0.5441 10 Mg++ 0.53122E-07 -7.2747 0.14924E-07 -7.8261 0.28094E+00 -0.5514 11 Fe++ 0.43414E-10 -10.3624 0.12247E-10 -10.9120 0.28211E+00 -0.5496 12 K+ 0.43008E-02 -2.3665 0.31155E-02 -2.5065 0.72440E+00 -0.1400 13 Na+ 0.33252E-01 -1.4782 0.23916E-01 -1.6213 0.71922E+00 -0.1431 14 Mn++ 0.37902E-09 -9.4213 0.10725E-09 -9.9696 0.28297E+00 -0.5483 15 Zn++ 0.21122E-13 -13.6753 0.59585E-14 -14.2249 0.28211E+00 -0.5496 16 Cu+ 0.15204E-12 -12.8180 0.10933E-12 -12.9613 0.71907E+00 -0.1432 17 Pb++ 0.78221E-13 -13.1067 0.22577E-13 -13.6463 0.28863E+00 -0.5397 18 Hg++ 0.26167E-34 -34.5822 0.75161E-35 -35.1240 0.28724E+00 -0.5418 19 F- 0.27249E-03 -3.5647 0.19380E-03 -3.7127 0.71121E+00 -0.1480 21 HSiO3- 0.64380E-04 -4.1913 0.46289E-04 -4.3345 0.71900E+00 -0.1433 22 Ca(HSiO3)+ 0.14149E-06 -6.8493 0.10257E-06 -6.9890 0.72495E+00 -0.1397 23 Mg(HSiO3)+ 0.24848E-09 -9.6047 0.18013E-09 -9.7444 0.72495E+00 -0.1397 24 NaHSiO3,aq 0.12690E-04 -4.8965 0.12690E-04 -4.8965 0.10000E+01 0.0000 27 HAlO2,aq 0.76937E-08 -8.1139 0.76937E-08 -8.1139 0.10000E+01 0.0000 28 AlO2- 0.25426E-05 -5.5947 0.18114E-05 -5.7420 0.71242E+00 -0.1473 29 CH4,aq 0.17380E-04 -4.7600 0.17161E-04 -4.7655 0.98742E+00 -0.0055 34 CO,aq 0.70865E-08 -8.1496 0.70865E-08 -8.1496 0.10000E+01 0.0000 35 CO2,aq 0.50072E-02 -2.3004 0.49442E-02 -2.3059 0.98742E+00 -0.0055 36 CO3-2 0.91077E-06 -6.0406 0.26416E-06 -6.5781 0.29004E+00 -0.5375 37 CaCO3,aq 0.11590E-05 -5.9359 0.11590E-05 -5.9359 0.10000E+01 0.0000 38 Ca(HCO3)+ 0.68297E-05 -5.1656 0.49512E-05 -5.3053 0.72495E+00 -0.1397 39 CaCl+ 0.77961E-05 -5.1081 0.56518E-05 -5.2478 0.72495E+00 -0.1397 40 CaCl2,aq 0.80934E-07 -7.0919 0.80934E-07 -7.0919 0.10000E+01 0.0000 41 CaF+ 0.61259E-06 -6.2128 0.44410E-06 -6.3525 0.72495E+00 -0.1397 42 CaOH+ 0.22401E-05 -5.6497 0.16239E-05 -5.7894 0.72495E+00 -0.1397 43 CaSO4,aq 0.14689E-08 -8.8330 0.14689E-08 -8.8330 0.10000E+01 0.0000 44 HCl,aq 0.40962E-08 -8.3876 0.40962E-08 -8.3876 0.10000E+01 0.0000 53 CuCl,aq 0.20690E-10 -10.6842 0.20690E-10 -10.6842 0.10000E+01 0.0000 54 CuCl2- 0.14669E-10 -10.8336 0.10547E-10 -10.9769 0.71900E+00 -0.1433 61 HF,aq 0.34835E-05 -5.4580 0.34835E-05 -5.4580 0.10000E+01 0.0000 62 HF2- 0.29369E-09 -9.5321 0.21116E-09 -9.6754 0.71900E+00 -0.1433 64 FeCl+ 0.10167E-10 -10.9928 0.73706E-11 -11.1325 0.72495E+00 -0.1397 69 FeO,aq 0.26866E-09 -9.5708 0.26866E-09 -9.5708 0.10000E+01 0.0000 70 FeOH+ 0.31208E-09 -9.5057 0.22624E-09 -9.6454 0.72495E+00 -0.1397 71 HFeO2- 0.10994E-09 -9.9588 0.79048E-10 -10.1021 0.71900E+00 -0.1433 74 FeO2- 0.95239E-10 -10.0212 0.68477E-10 -10.1645 0.71900E+00 -0.1433 75 HFeO2,aq 0.34343E-10 -10.4642 0.34343E-10 -10.4642 0.10000E+01 0.0000 76 H2,aq 0.35239E-04 -4.4530 0.34795E-04 -4.4585 0.98742E+00 -0.0055 77 Hg,aq 0.74308E-10 -10.1290 0.73373E-10 -10.1345 0.98742E+00 -0.0055 90 KCl,aq 0.22871E-04 -4.6407 0.22871E-04 -4.6407 0.10000E+01 0.0000 92 KOH,aq 0.43603E-06 -6.3605 0.43603E-06 -6.3605 0.10000E+01 0.0000 93 KSO4- 0.24312E-07 -7.6142 0.17480E-07 -7.7575 0.71900E+00 -0.1433 94 MgCO3,aq 0.33135E-09 -9.4797 0.33135E-09 -9.4797 0.10000E+01 0.0000 95 Mg(HCO3)+ 0.14792E-07 -7.8300 0.10723E-07 -7.9697 0.72495E+00 -0.1397 96 MgCl+ 0.94488E-08 -8.0246 0.68499E-08 -8.1643 0.72495E+00 -0.1397 97 MgF+ 0.40045E-08 -8.3974 0.29031E-08 -8.5371 0.72495E+00 -0.1397 98 MgOH+ 0.16772E-07 -7.7754 0.12159E-07 -7.9151 0.72495E+00 -0.1397 101 MnO,aq 0.70671E-10 -10.1508 0.70671E-10 -10.1508 0.10000E+01 0.0000 102 MnOH+ 0.38766E-09 -9.4115 0.28103E-09 -9.5512 0.72495E+00 -0.1397 107 MnCl+ 0.14044E-08 -8.8525 0.10181E-08 -8.9922 0.72495E+00 -0.1397 109 NaCl,aq 0.11351E-02 -2.9450 0.11351E-02 -2.9450 0.10000E+01 0.0000 110 NaF,aq 0.71477E-05 -5.1458 0.71477E-05 -5.1458 0.10000E+01 0.0000 111 NaOH,aq 0.22330E-05 -5.6511 0.22330E-05 -5.6511 0.10000E+01 0.0000 113 OH- 0.70375E-04 -4.1526 0.50137E-04 -4.2998 0.71242E+00 -0.1473 122 PbO,aq 0.19146E-10 -10.7179 0.19146E-10 -10.7179 0.10000E+01 0.0000 124 Pb(HS)2,aq 0.12187E-07 -7.9141 0.12187E-07 -7.9141 0.10000E+01 0.0000 125 Pb(HS)3- 0.18554E-09 -9.7316 0.13340E-09 -9.8748 0.71900E+00 -0.1433 126 H2S,aq 0.46749E-03 -3.3302 0.46161E-03 -3.3357 0.98742E+00 -0.0055 127 S2-2 0.13577E-09 -9.8672 0.39380E-10 -10.4047 0.29004E+00 -0.5375 134 HSO3- 0.12369E-10 -10.9077 0.88931E-11 -11.0509 0.71900E+00 -0.1433 135 HSO4- 0.50178E-09 -9.2995 0.36479E-09 -9.4380 0.72700E+00 -0.1385 153 ZnO,aq 0.13028E-10 -10.8851 0.13028E-10 -10.8851 0.10000E+01 0.0000 154 ZnOH+ 0.16171E-09 -9.7913 0.11723E-09 -9.9310 0.72495E+00 -0.1397 164 Cu(HS)2- 0.58291E-07 -7.2344 0.41912E-07 -7.3777 0.71900E+00 -0.1433 166 CuH4S3-b 0.98316E-10 -10.0074 0.70689E-10 -10.1506 0.71900E+00 -0.1433 179 MgSO4,aq 0.11234E-10 -10.9495 0.11234E-10 -10.9495 0.10000E+01 0.0000 180 MnCl2,aq 0.57566E-09 -9.2398 0.57566E-09 -9.2398 0.10000E+01 0.0000 181 MnCl3- 0.97258E-10 -10.0121 0.69929E-10 -10.1553 0.71900E+00 -0.1433 182 MnCO3,aq 0.23802E-09 -9.6234 0.23802E-09 -9.6234 0.10000E+01 0.0000 183 NaCO3- 0.47899E-06 -6.3197 0.34439E-06 -6.4629 0.71900E+00 -0.1433 184 NaHCO3,aq 0.60586E-04 -4.2176 0.60586E-04 -4.2176 0.10000E+01 0.0000 185 NaHS,aq 0.14625E-04 -4.8349 0.14625E-04 -4.8349 0.10000E+01 0.0000 186 NaSO4- 0.43178E-07 -7.3647 0.31045E-07 -7.5080 0.71900E+00 -0.1433 187 PbCO3,aq 0.44631E-09 -9.3504 0.44631E-09 -9.3504 0.10000E+01 0.0000 188 PbOH+ 0.72082E-10 -10.1422 0.52256E-10 -10.2819 0.72495E+00 -0.1397 193 Zn(HS)2,aq 0.17274E-07 -7.7626 0.17274E-07 -7.7626 0.10000E+01 0.0000 194 Zn(HS)3- 0.34874E-09 -9.4575 0.25075E-09 -9.6008 0.71900E+00 -0.1433 Charge balance for all species = 0.2795E-07 Component Molality Aq.molality ppm log[A(N)/A(H+)**Z] (total) 1 H+ 0.1747879E-06 0.5304318E-02 0.5329723E+01 0.0000 2 H2O 0.1000000E+01 0.5550330E+02 0.9967831E+06 0.0000 3 Cl- 0.3458443E-01 0.3575033E-01 0.1263495E+04 5.2905 4 SO4-- 0.1316677E-06 -.2598984E-04 -.2488822E+01 6.3749 5 HCO3- 0.2107762E-02 0.7202354E-02 0.4380938E+03 4.0780 6 HS- 0.5114940E-03 0.1019979E-02 0.3362732E+02 3.4608 7 H4SiO4 0.5275270E-02 0.5352481E-02 0.5128478E+03 -2.2778 8 Al+++ 0.2027676E-21 0.2550284E-05 0.6859541E-01 -2.2194 9 Ca++ 0.2258408E-04 0.4144548E-04 0.1655860E+01 8.5995 10 Mg++ 0.5312172E-07 0.9872957E-07 0.2392811E-02 5.9637 11 Fe++ 0.4341439E-10 0.8758344E-09 0.4875983E-04 2.8779 12 K+ 0.4300782E-02 0.4324114E-02 0.1685530E+03 4.3884 13 Na+ 0.3325229E-01 0.3448515E-01 0.7903285E+03 5.2736 14 Mn++ 0.3790248E-09 0.3160025E-08 0.1730628E-03 3.8202 15 Zn++ 0.2112161E-13 0.1780524E-07 0.1160291E-02 -0.4350 16 Cu+ 0.1520380E-12 0.5842701E-07 0.3700848E-02 -6.0664 17 Pb++ 0.7822113E-13 0.1291753E-07 0.2668017E-02 0.1435 18 Hg++ 0.2616694E-34 0.7481626E-10 0.1496048E-04 -21.3342 19 F- 0.2724881E-03 0.2837366E-03 0.5373578E+01 3.1822 Component Tot moles Aq. moles Solid moles Gas moles 1 H+ 0.1822172E+00 0.4557987E-02 -.5048155E-06 0.1776597E+00 2 H2O 0.5550825E+02 0.4769384E+02 -.6511572E-02 0.7820921E+01 3 Cl- 0.3072017E-01 0.3072017E-01 0.0000000E+00 0.7399388E-09 4 SO4-- -.4257700E-02 -.2233301E-04 0.3041979E-09 -.4235367E-02 5 HCO3- 0.1832100E+00 0.6188965E-02 0.0000000E+00 0.1770210E+00 6 HS- 0.9985820E-02 0.8764657E-03 0.9430134E-08 0.9109345E-02 7 H4SiO4 0.7855346E-02 0.4599374E-02 0.3255972E-02 0.0000000E+00 8 Al+++ 0.2253680E-05 0.2191453E-05 0.6222737E-07 0.0000000E+00 9 Ca++ 0.3561400E-04 0.3561400E-04 0.0000000E+00 0.0000000E+00 10 Mg++ 0.2355503E-06 0.8483807E-07 0.1507122E-06 0.0000000E+00 11 Fe++ 0.8017372E-08 0.7526023E-09 0.7264770E-08 0.0000000E+00 12 K+ 0.3715700E-02 0.3715700E-02 0.0000000E+00 0.0000000E+00 13 Na+ 0.2963300E-01 0.2963300E-01 0.0000000E+00 0.0000000E+00 14 Mn++ 0.2740424E-08 0.2715402E-08 0.2502208E-10 0.0000000E+00 15 Zn++ 0.1530000E-07 0.1530000E-07 0.0000000E+00 0.0000000E+00 16 Cu+ 0.6237410E-07 0.5020619E-07 0.1216791E-07 0.0000000E+00 17 Pb++ 0.1110000E-07 0.1110000E-07 0.0000000E+00 0.0000000E+00 18 Hg++ 0.4000000E-08 0.6428942E-10 0.0000000E+00 0.3935711E-08 19 F- 0.2439100E-03 0.2438141E-03 0.0000000E+00 0.9589438E-07 Chg. balance for solid moles: 0.1054E-16 Mass of aqueous solution: 0.861992E+03 g Temperature = 226.00 C Pressure = 26.16 bar Mixer frac. = 0.0000000 Log Log Vol Gas or mineral Moles Moles Grams Grams Wt.% (cm3) H2O,gas 7.987 0.902 143.8 2.158 94.80 0.1098E+05 CO2,gas 0.1742 -0.759 7.665 0.885 5.052 288.8 CH4,gas 0.2846E-02 -2.546 0.4564E-01 -1.341 0.3008E-01 5.090 H2,gas 0.5558E-02 -2.255 0.1123E-01 -1.950 0.7400E-02 8.910 H2S,gas 0.4874E-02 -2.312 0.1661 -0.780 0.1095 7.404 CO,gas 0.1001E-05 -5.999 0.2805E-04 -4.552 0.1849E-04 0.1589E-02 SO2,gas 0.1219E-12 -12.914 0.7810E-11 -11.107 0.5147E-11 0.1934E-09 HF,gas 0.9589E-07 -7.018 0.1918E-05 -5.717 0.1264E-05 0.1521E-03 HCl,gas 0.7399E-09 -9.131 0.2698E-07 -7.569 0.1778E-07 0.1174E-05 Hg,gas 0.3936E-08 -8.405 0.7895E-06 -6.103 0.5203E-06 0.6245E-05 clinochlore 0.3014E-07 -7.521 0.1675E-04 -4.776 0.8564E-02 0.6373E-05 daphnite 0.9662E-09 -9.015 0.6894E-06 -6.162 0.3524E-03 0.2089E-06 chlorite-Mn 0.5004E-11 -11.301 0.3548E-08 -8.450 0.1814E-05 0.1131E-08 quartz 0.3256E-02 -2.487 0.1956 -0.709 99.99 0.7387E-01 bornite 0.2434E-08 -8.614 0.1221E-05 -5.913 0.6242E-03 0.2402E-06 Partial press. Fugacity coef Log fugacity Gas or Mineral Mole fraction or activity Activity coef Log activity H2O,gas 0.9771E+00 0.2556E+02 0.8851 1.355 CO2,gas 0.2131E-01 0.5573E+00 1.0096 -0.250 CH4,gas 0.3481E-03 0.9106E-02 1.1130 -1.994 H2,gas 0.6800E-03 0.1779E-01 1.0104 -1.745 H2S,gas 0.5963E-03 0.1560E-01 0.9575 -1.826 CO,gas 0.1225E-06 0.3204E-05 1.0000 -5.494 SO2,gas 0.1491E-13 0.3901E-12 1.0000 -12.409 HF,gas 0.1173E-07 0.3069E-06 1.0000 -6.513 HCl,gas 0.9052E-10 0.2368E-08 1.0000 -8.626 Hg,gas 0.4815E-09 0.1259E-07 1.0000 -7.900 clinochlore 0.9688E+00 0.9688E+00 1.0000 -0.014 daphnite 0.3106E-01 0.3106E-01 1.0000 -1.508 chlorite-Mn 0.1608E-03 0.1608E-03 1.0000 -3.794 quartz 0.1000E+01 0.1000E+01 1.0000 0.000 bornite 0.1000E+01 0.1000E+01 1.0000 0.000 Current weight percent of gas: 14.964624 % Solid products produced: Mass = 0.195632 g Volume = 0.073879 cm3 WARNING: mineral volume may be in error because some mineral densities were not supplied in SOLTHERM. See mineral list in file Skip_Species.txt. NON-Ideal mixing with H2O, CO2, CH4 Gases ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ The following gases and minerals are presently in matrix or were just added Gas or Mineral Log K Log Q Log(Q/K) Log(Q/K)/S Affinity Log Fugacity 1 H2O,gas 0.06 0.06 -0.00 -0.000 0.41780E-09 2 CO2,gas -8.04 -8.04 0.00 0.000 -0.14200E-09 3 CH4,gas 4.58 4.58 0.00 0.000 -0.40167E-09 4 H2,gas 5.88 5.88 0.00 0.000 -0.32458E-10 5 H2S,gas -7.09 -7.09 -0.00 -0.000 0.13795E-09 6 CO,gas -0.08 -0.08 -0.00 -0.000 0.45644E-11 7 SO2,gas -4.66 -4.66 0.00 0.000 -0.40572E-11 8 HF,gas -2.68 -2.68 -0.00 -0.000 0.10143E-11 9 HCl,gas 1.54 1.54 -0.00 -0.000 0.20286E-11 10 Hg,gas -9.30 -9.30 0.00 0.000 -0.16229E-10 43 clinochlore 18.62 18.62 -0.00 -0.000 0.81145E-11 44 daphnite 10.66 10.66 -0.00 -0.000 0.32458E-10 45 chlorite-Mn 26.80 26.80 0.00 0.000 0.00000E+00 146 quartz -2.28 -2.28 0.00 0.000 0.00000E+00 198 bornite -70.13 -70.13 -0.00 -0.000 0.32458E-10 249 galena -10.22 -10.19 0.03 0.011 -0.73060E+02 The following gases and minerals are presently EXCLUDED from matrix (Gases and minerals with log(Q/K) less than -5 are not listed below) Gas or Mineral Log K Log Q Log(Q/K) Log(Q/K)/S Affinity Log Fugacity 11 acmite 5.28 2.24 -3.05 -0.316 0.69554E+04 15 albite-high -2.74 -3.78 -1.04 -0.080 0.23750E+04 16 albite -3.32 -3.78 -0.46 -0.035 0.10455E+04 20 analcite -0.32 -1.50 -1.19 -0.132 0.27071E+04 21 andalusite -3.55 -6.72 -3.16 -0.316 0.72237E+04 22 andradite 25.39 22.00 -3.39 -0.176 0.77484E+04 23 grossular 16.39 14.53 -1.86 -0.093 0.42587E+04 24 anhydrite -7.85 -12.61 -4.75 -2.376 0.10852E+05 25 ankerite -5.34 -7.95 -2.61 -0.434 0.59508E+04 27 phlogopite 14.60 13.23 -1.37 -0.076 0.31273E+04 29 anorthite 1.39 -0.39 -1.78 -0.137 0.40693E+04 32 aragonite -0.78 -1.11 -0.33 -0.110 0.75714E+03 33 brucite 8.79 5.96 -2.83 -0.566 0.64629E+04 34 calcite -0.93 -1.11 -0.18 -0.060 0.40777E+03 35 carnegieite-low 3.87 0.78 -3.09 -0.441 0.70553E+04 36 carnegieite-high 4.46 0.78 -3.68 -0.526 0.84125E+04 37 carpholite-Mg -0.72 -3.03 -2.31 -0.154 0.52867E+04 38 carpholite-Fe -2.20 -6.12 -3.92 -0.261 0.89499E+04 39 celadonite 1.00 -0.98 -1.97 -0.116 0.45081E+04 40 celadonite-Fe -0.30 -4.06 -3.76 -0.221 0.85887E+04 41 chrysotile 15.60 13.34 -2.26 -0.189 0.51688E+04 46 chlorite-Al-free 30.87 26.67 -4.20 -0.175 0.95839E+04 47 chloritoid-Mg 2.17 -0.75 -2.93 -0.195 0.66859E+04 48 chloritoid-Fe -0.78 -3.84 -3.06 -0.204 0.69966E+04 49 chloritoid-Mn 1.43 -2.90 -4.33 -0.289 0.98918E+04 51 coesite -1.80 -2.28 -0.48 -0.160 0.10944E+04 56 corundum -0.98 -4.44 -3.46 -0.315 0.79054E+04 58 cristobalite -2.04 -2.28 -0.24 -0.079 0.54342E+03 61 cymrite-K -1.28 -4.66 -3.38 -0.282 0.77238E+04 63 diaspore -1.02 -2.22 -1.20 -0.200 0.27409E+04 64 diamond -1.96 -4.27 -2.31 -0.660 0.52785E+04 65 diopside 10.48 10.01 -0.47 -0.047 0.10706E+04 66 hedenbergite 8.89 6.92 -1.97 -0.197 0.45032E+04 67 dolomite,ordered -3.23 -4.86 -1.63 -0.271 0.37146E+04 68 eastonite 9.55 5.10 -4.45 -0.171 0.10153E+05 69 enstatite 10.47 7.37 -3.10 -0.310 0.70858E+04 70 clinoenstatite-HiP 11.30 7.37 -3.93 -0.393 0.89688E+04 71 clinoenstatite 10.40 7.37 -3.03 -0.303 0.69264E+04 72 protoenstatite 10.83 7.37 -3.46 -0.346 0.79031E+04 73 epidote 9.25 7.45 -1.81 -0.088 0.41294E+04 74 clinozoisite 5.54 3.71 -1.83 -0.083 0.41792E+04 75 epidote-Fe 15.50 11.18 -4.31 -0.224 0.98503E+04 76 fayalite 7.96 3.48 -4.48 -0.640 0.10230E+05 77 ferrosilite 5.79 1.20 -4.59 -0.459 0.10482E+05 78 forsterite 13.28 9.65 -3.63 -0.519 0.82935E+04 81 gibbsite 0.31 -2.22 -2.53 -0.361 0.57795E+04 82 glaucophane 9.21 5.78 -3.43 -0.093 0.78328E+04 84 goethite 3.80 1.52 -2.28 -0.493 0.52049E+04 85 graphite -2.35 -4.27 -1.93 -0.550 0.43975E+04 88 halite 1.09 -3.23 -4.32 -2.159 0.98615E+04 89 hematite 6.79 3.04 -3.75 -0.454 0.85630E+04 90 heulandite -11.25 -11.78 -0.53 -0.024 0.12198E+04 94 jadeite 0.58 -1.50 -2.08 -0.208 0.47593E+04 96 kalsilite 2.96 -0.11 -3.07 -0.439 0.70118E+04 97 kaolinite -6.94 -8.99 -2.05 -0.186 0.46809E+04 98 kyanite -3.52 -6.72 -3.19 -0.319 0.72965E+04 100 laumontite -4.17 -4.95 -0.78 -0.052 0.17751E+04 101 lawsonite 0.93 -0.39 -1.32 -0.088 0.30175E+04 102 leucite 0.08 -2.39 -2.46 -0.246 0.56261E+04 104 lizardite 15.29 13.34 -1.95 -0.163 0.44543E+04 105 magnesite -1.61 -3.75 -2.13 -0.711 0.48724E+04 108 minnesotaite-Mg 12.48 8.78 -3.70 -0.218 0.84604E+04 112 margarite -1.47 -4.83 -3.37 -0.135 0.76892E+04 115 microcline -4.58 -4.66 -0.08 -0.006 0.18851E+03 116 monticellite 16.52 12.29 -4.23 -0.605 0.96671E+04 118 mullite-Si -1.98 -6.72 -4.74 -0.474 0.10823E+05 119 muscovite -7.31 -9.10 -1.79 -0.105 0.40891E+04 120 paragonite -6.27 -8.22 -1.95 -0.115 0.44468E+04 121 nepheline 3.32 0.78 -2.55 -0.364 0.58195E+04 126 periclase 10.87 5.96 -4.91 -1.228 0.11215E+05 127 periclase-Fe 7.39 2.88 -4.51 -1.128 0.10308E+05 133 phlogopite-Na 16.23 14.11 -2.12 -0.118 0.48348E+04 135 prehnite 6.87 5.93 -0.94 -0.055 0.21500E+04 136 prehnite-Fe 11.40 9.66 -1.74 -0.105 0.39721E+04 137 pumpellyite-Fe 16.24 12.51 -3.73 -0.083 0.85159E+04 138 pumpellyite-Mg 18.33 15.60 -2.73 -0.061 0.62286E+04 140 px-Ca-tschermaks 6.17 1.88 -4.29 -0.306 0.97874E+04 141 pyrite -19.51 -20.50 -0.99 -0.232 0.22547E+04 142 pyrrhotite -5.57 -7.45 -1.88 -0.628 0.43014E+04 143 pyrrhotiteFe0.875 -6.79 -8.15 -1.36 -0.500 0.31046E+04 144 pyroxmangite 4.77 1.54 -3.22 -0.645 0.73617E+04 145 pyrophyllite -11.24 -13.55 -2.31 -0.145 0.52834E+04 151 rhodochrosite -2.39 -5.89 -3.50 -1.166 0.79917E+04 152 rhodonite 4.78 1.54 -3.24 -0.648 0.74047E+04 153 sanidine -3.68 -4.66 -0.99 -0.076 0.22559E+04 155 siderite -4.12 -6.83 -2.71 -0.904 0.61933E+04 156 sillimanite -3.39 -6.72 -3.32 -0.332 0.75878E+04 163 stilbite -10.49 -11.78 -1.29 -0.062 0.29534E+04 165 stilpnomelane-Mg 10.20 9.35 -0.85 -0.025 0.19461E+04 166 stishovite 2.22 -2.28 -4.50 -1.499 0.10268E+05 168 sudoite 1.14 -3.78 -4.93 -0.159 0.11249E+05 169 sulfur -8.70 -13.05 -4.35 -1.338 0.99343E+04 171 talc 9.48 8.78 -0.70 -0.041 0.15912E+04 173 talc-tschermaks 5.20 0.66 -4.55 -0.268 0.10391E+05 178 topaz-H -2.84 -6.72 -3.88 -0.352 0.88521E+04 179 tridymite -2.07 -2.28 -0.21 -0.070 0.47979E+03 180 tremolite 29.59 28.80 -0.80 -0.022 0.18182E+04 182 troilite-low -5.61 -7.45 -1.84 -0.614 0.42093E+04 188 wairakite -4.39 -4.95 -0.56 -0.033 0.12902E+04 189 walstromite 8.11 6.32 -1.79 -0.358 0.40841E+04 190 wollastonite 7.34 6.32 -1.02 -0.204 0.23246E+04 191 pseudo-wollastonite 7.68 6.32 -1.36 -0.272 0.31007E+04 192 zoisite 5.57 3.71 -1.87 -0.085 0.42634E+04 193 beidellite-Ca -9.17 -12.11 -2.94 -0.182 0.67252E+04 194 beidellite-H -9.54 -13.53 -3.99 -0.255 0.91235E+04 195 beidellite-K -8.61 -12.08 -3.47 -0.213 0.79368E+04 196 beidellite-Mg -9.40 -12.55 -3.15 -0.195 0.71944E+04 197 beidellite-Na -8.55 -11.79 -3.24 -0.199 0.74100E+04 200 chalcedony -2.14 -2.28 -0.14 -0.047 0.32141E+03 201 chalcocite -21.06 -22.46 -1.40 -0.349 0.31925E+04 202 covellite -15.74 -17.75 -2.01 -0.767 0.46013E+04 204 montmorillonite-Ca -7.68 -9.43 -1.75 -0.108 0.39980E+04 205 montmorillonite-K -7.24 -9.40 -2.16 -0.133 0.49437E+04 206 montmorillonite-Mg -7.94 -9.87 -1.93 -0.119 0.44081E+04 207 montmorillonite-Na -7.10 -9.11 -2.01 -0.123 0.45940E+04 209 nontronite-Ca -0.87 -4.64 -3.76 -0.244 0.85935E+04 210 nontronite-H -1.25 -6.05 -4.81 -0.322 0.10983E+05 211 nontronite-K -0.31 -4.61 -4.29 -0.275 0.98028E+04 212 nontronite-Mg -1.10 -5.07 -3.97 -0.258 0.90695E+04 213 nontronite-Na -0.25 -4.31 -4.06 -0.261 0.92806E+04 229 tobermorite 8.33 4.89 -3.45 -0.941 0.78762E+04 235 alabandite -2.76 -6.51 -3.75 -1.249 0.85565E+04 240 boehmite -0.09 -2.22 -2.13 -0.356 0.48730E+04 242 chalcopyrite -24.62 -25.21 -0.59 -0.109 0.13416E+04 245 copper,native -1.23 -4.71 -3.48 -1.210 0.79474E+04 246 dolomite,disordered -2.87 -4.86 -2.00 -0.333 0.45574E+04 247 ferrous-oxide 5.99 2.88 -3.11 -0.777 0.70998E+04 248 fluorite -11.15 -12.62 -1.47 -0.489 0.33533E+04 257 silica-amorphous -1.72 -2.28 -0.56 -0.186 0.12741E+04 260 sphalerite -10.02 -10.76 -0.74 -0.247 0.16907E+04 261 wurtzite -8.66 -10.76 -2.11 -0.702 0.48135E+04 263 an20ab80 -2.60 -3.10 -0.51 -0.039 0.11537E+04 264 an25ab75 -2.39 -2.93 -0.54 -0.042 0.12430E+04 265 an30ab70 -2.17 -2.76 -0.59 -0.045 0.13460E+04 266 tr.625ac.25prg.125 25.62 24.59 -1.03 -0.028 0.23544E+04 271 FeS-amorphous -3.94 -7.45 -3.51 -1.170 0.80190E+04 ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ Test file for CHIM-XPT. Boil Broadlands Water Water similar to Broadlands Well No. 2 CHIMRUN demo-2a ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ Number of loops used = 6 Loop limit = 200 Temperature = 226.00 C Pressure = 26.16 bar Mixer fraction = 0.0000000 Total current enthalpy = 296.5306 KCAL Water: Moles liquid = 0.4770E+02 kg liquid = 0.8593E+00 Moles total = 0.5551E+02 kg total = 0.1000E+01 Activity = 0.9999 Stoichiometric ionic strength = .4157922E-01 Osmotic coef. = 0.9075 True ionic strength = .3763986E-01 Chg. balance for total moles = 0.2402E-07 Max. difference allowed = 0.3072E-05 Log Log Log Species(n) Molality Molality Activity Activity Gamma Gamma 1 H+ 0.17479E-06 -6.7575 0.12738E-06 -6.8949 0.72876E+00 -0.1374 2 H2O 0.99990E+00 -0.0000 0.99990E+00 -0.0000 3 Cl- 0.34584E-01 -1.4611 0.24866E-01 -1.6044 0.71900E+00 -0.1433 4 SO4-- 0.13167E-06 -6.8805 0.38463E-07 -7.4150 0.29212E+00 -0.5344 5 HCO3- 0.21078E-02 -2.6762 0.15244E-02 -2.8169 0.72325E+00 -0.1407 6 HS- 0.51149E-03 -3.2912 0.36800E-03 -3.4342 0.71946E+00 -0.1430 7 H4SiO4 0.52753E-02 -2.2778 0.52753E-02 -2.2778 0.10000E+01 0.0000 8 Al+++ 0.20277E-21 -21.6930 0.12471E-22 -22.9041 0.61505E-01 -1.2111 9 Ca++ 0.22584E-04 -4.6462 0.64520E-05 -5.1903 0.28569E+00 -0.5441 10 Mg++ 0.53122E-07 -7.2747 0.14924E-07 -7.8261 0.28094E+00 -0.5514 11 Fe++ 0.43414E-10 -10.3624 0.12247E-10 -10.9120 0.28211E+00 -0.5496 12 K+ 0.43008E-02 -2.3665 0.31155E-02 -2.5065 0.72440E+00 -0.1400 13 Na+ 0.33252E-01 -1.4782 0.23916E-01 -1.6213 0.71922E+00 -0.1431 14 Mn++ 0.37902E-09 -9.4213 0.10725E-09 -9.9696 0.28297E+00 -0.5483 15 Zn++ 0.21122E-13 -13.6753 0.59585E-14 -14.2249 0.28211E+00 -0.5496 16 Cu+ 0.15204E-12 -12.8180 0.10933E-12 -12.9613 0.71907E+00 -0.1432 17 Pb++ 0.72667E-13 -13.1387 0.20974E-13 -13.6783 0.28863E+00 -0.5397 18 Hg++ 0.26167E-34 -34.5822 0.75161E-35 -35.1240 0.28724E+00 -0.5418 19 F- 0.27249E-03 -3.5647 0.19380E-03 -3.7127 0.71121E+00 -0.1480 21 HSiO3- 0.64380E-04 -4.1913 0.46289E-04 -4.3345 0.71900E+00 -0.1433 22 Ca(HSiO3)+ 0.14149E-06 -6.8493 0.10257E-06 -6.9890 0.72495E+00 -0.1397 23 Mg(HSiO3)+ 0.24848E-09 -9.6047 0.18013E-09 -9.7444 0.72495E+00 -0.1397 24 NaHSiO3,aq 0.12690E-04 -4.8965 0.12690E-04 -4.8965 0.10000E+01 0.0000 27 HAlO2,aq 0.76937E-08 -8.1139 0.76937E-08 -8.1139 0.10000E+01 0.0000 28 AlO2- 0.25426E-05 -5.5947 0.18114E-05 -5.7420 0.71242E+00 -0.1473 29 CH4,aq 0.17380E-04 -4.7600 0.17161E-04 -4.7655 0.98742E+00 -0.0055 34 CO,aq 0.70865E-08 -8.1496 0.70865E-08 -8.1496 0.10000E+01 0.0000 35 CO2,aq 0.50072E-02 -2.3004 0.49442E-02 -2.3059 0.98742E+00 -0.0055 36 CO3-2 0.91077E-06 -6.0406 0.26416E-06 -6.5781 0.29004E+00 -0.5375 37 CaCO3,aq 0.11590E-05 -5.9359 0.11590E-05 -5.9359 0.10000E+01 0.0000 38 Ca(HCO3)+ 0.68297E-05 -5.1656 0.49512E-05 -5.3053 0.72495E+00 -0.1397 39 CaCl+ 0.77961E-05 -5.1081 0.56518E-05 -5.2478 0.72495E+00 -0.1397 40 CaCl2,aq 0.80934E-07 -7.0919 0.80934E-07 -7.0919 0.10000E+01 0.0000 41 CaF+ 0.61259E-06 -6.2128 0.44410E-06 -6.3525 0.72495E+00 -0.1397 42 CaOH+ 0.22401E-05 -5.6497 0.16239E-05 -5.7894 0.72495E+00 -0.1397 43 CaSO4,aq 0.14689E-08 -8.8330 0.14689E-08 -8.8330 0.10000E+01 0.0000 44 HCl,aq 0.40962E-08 -8.3876 0.40962E-08 -8.3876 0.10000E+01 0.0000 53 CuCl,aq 0.20690E-10 -10.6842 0.20690E-10 -10.6842 0.10000E+01 0.0000 54 CuCl2- 0.14669E-10 -10.8336 0.10547E-10 -10.9769 0.71900E+00 -0.1433 61 HF,aq 0.34835E-05 -5.4580 0.34835E-05 -5.4580 0.10000E+01 0.0000 62 HF2- 0.29369E-09 -9.5321 0.21116E-09 -9.6754 0.71900E+00 -0.1433 64 FeCl+ 0.10167E-10 -10.9928 0.73706E-11 -11.1325 0.72495E+00 -0.1397 69 FeO,aq 0.26866E-09 -9.5708 0.26866E-09 -9.5708 0.10000E+01 0.0000 70 FeOH+ 0.31208E-09 -9.5057 0.22624E-09 -9.6454 0.72495E+00 -0.1397 71 HFeO2- 0.10994E-09 -9.9588 0.79048E-10 -10.1021 0.71900E+00 -0.1433 74 FeO2- 0.95239E-10 -10.0212 0.68477E-10 -10.1645 0.71900E+00 -0.1433 75 HFeO2,aq 0.34343E-10 -10.4642 0.34343E-10 -10.4642 0.10000E+01 0.0000 76 H2,aq 0.35239E-04 -4.4530 0.34795E-04 -4.4585 0.98742E+00 -0.0055 77 Hg,aq 0.74308E-10 -10.1290 0.73373E-10 -10.1345 0.98742E+00 -0.0055 90 KCl,aq 0.22871E-04 -4.6407 0.22871E-04 -4.6407 0.10000E+01 0.0000 92 KOH,aq 0.43603E-06 -6.3605 0.43603E-06 -6.3605 0.10000E+01 0.0000 93 KSO4- 0.24312E-07 -7.6142 0.17480E-07 -7.7575 0.71900E+00 -0.1433 94 MgCO3,aq 0.33135E-09 -9.4797 0.33135E-09 -9.4797 0.10000E+01 0.0000 95 Mg(HCO3)+ 0.14792E-07 -7.8300 0.10723E-07 -7.9697 0.72495E+00 -0.1397 96 MgCl+ 0.94488E-08 -8.0246 0.68499E-08 -8.1643 0.72495E+00 -0.1397 97 MgF+ 0.40045E-08 -8.3974 0.29031E-08 -8.5371 0.72495E+00 -0.1397 98 MgOH+ 0.16772E-07 -7.7754 0.12159E-07 -7.9151 0.72495E+00 -0.1397 101 MnO,aq 0.70671E-10 -10.1508 0.70671E-10 -10.1508 0.10000E+01 0.0000 102 MnOH+ 0.38766E-09 -9.4115 0.28103E-09 -9.5512 0.72495E+00 -0.1397 107 MnCl+ 0.14044E-08 -8.8525 0.10181E-08 -8.9922 0.72495E+00 -0.1397 109 NaCl,aq 0.11351E-02 -2.9450 0.11351E-02 -2.9450 0.10000E+01 0.0000 110 NaF,aq 0.71477E-05 -5.1458 0.71477E-05 -5.1458 0.10000E+01 0.0000 111 NaOH,aq 0.22330E-05 -5.6511 0.22330E-05 -5.6511 0.10000E+01 0.0000 113 OH- 0.70375E-04 -4.1526 0.50137E-04 -4.2998 0.71242E+00 -0.1473 122 PbO,aq 0.17787E-10 -10.7499 0.17787E-10 -10.7499 0.10000E+01 0.0000 124 Pb(HS)2,aq 0.11321E-07 -7.9461 0.11321E-07 -7.9461 0.10000E+01 0.0000 125 Pb(HS)3- 0.17236E-09 -9.7636 0.12393E-09 -9.9068 0.71900E+00 -0.1433 126 H2S,aq 0.46749E-03 -3.3302 0.46161E-03 -3.3357 0.98742E+00 -0.0055 127 S2-2 0.13577E-09 -9.8672 0.39380E-10 -10.4047 0.29004E+00 -0.5375 134 HSO3- 0.12369E-10 -10.9077 0.88931E-11 -11.0509 0.71900E+00 -0.1433 135 HSO4- 0.50178E-09 -9.2995 0.36479E-09 -9.4380 0.72700E+00 -0.1385 153 ZnO,aq 0.13028E-10 -10.8851 0.13028E-10 -10.8851 0.10000E+01 0.0000 154 ZnOH+ 0.16171E-09 -9.7913 0.11723E-09 -9.9310 0.72495E+00 -0.1397 164 Cu(HS)2- 0.58291E-07 -7.2344 0.41912E-07 -7.3777 0.71900E+00 -0.1433 166 CuH4S3-b 0.98316E-10 -10.0074 0.70689E-10 -10.1506 0.71900E+00 -0.1433 179 MgSO4,aq 0.11234E-10 -10.9495 0.11234E-10 -10.9495 0.10000E+01 0.0000 180 MnCl2,aq 0.57566E-09 -9.2398 0.57566E-09 -9.2398 0.10000E+01 0.0000 181 MnCl3- 0.97258E-10 -10.0121 0.69929E-10 -10.1553 0.71900E+00 -0.1433 182 MnCO3,aq 0.23802E-09 -9.6234 0.23802E-09 -9.6234 0.10000E+01 0.0000 183 NaCO3- 0.47899E-06 -6.3197 0.34439E-06 -6.4629 0.71900E+00 -0.1433 184 NaHCO3,aq 0.60586E-04 -4.2176 0.60586E-04 -4.2176 0.10000E+01 0.0000 185 NaHS,aq 0.14625E-04 -4.8349 0.14625E-04 -4.8349 0.10000E+01 0.0000 186 NaSO4- 0.43178E-07 -7.3647 0.31045E-07 -7.5080 0.71900E+00 -0.1433 187 PbCO3,aq 0.41462E-09 -9.3823 0.41462E-09 -9.3823 0.10000E+01 0.0000 188 PbOH+ 0.66964E-10 -10.1742 0.48545E-10 -10.3139 0.72495E+00 -0.1397 193 Zn(HS)2,aq 0.17274E-07 -7.7626 0.17274E-07 -7.7626 0.10000E+01 0.0000 194 Zn(HS)3- 0.34874E-09 -9.4575 0.25075E-09 -9.6008 0.71900E+00 -0.1433 Charge balance for all species = 0.2795E-07 Component Molality Aq.molality ppm log[A(N)/A(H+)**Z] (total) 1 H+ 0.1747879E-06 0.5304318E-02 0.5329723E+01 -0.0000 2 H2O 0.1000000E+01 0.5550330E+02 0.9967831E+06 0.0000 3 Cl- 0.3458443E-01 0.3575033E-01 0.1263495E+04 5.2905 4 SO4-- 0.1316677E-06 -.2598984E-04 -.2488822E+01 6.3749 5 HCO3- 0.2107762E-02 0.7202354E-02 0.4380938E+03 4.0780 6 HS- 0.5114941E-03 0.1019978E-02 0.3362726E+02 3.4608 7 H4SiO4 0.5275270E-02 0.5352481E-02 0.5128478E+03 -2.2778 8 Al+++ 0.2027676E-21 0.2550284E-05 0.6859541E-01 -2.2194 9 Ca++ 0.2258408E-04 0.4144548E-04 0.1655860E+01 8.5995 10 Mg++ 0.5312173E-07 0.9872958E-07 0.2392811E-02 5.9637 11 Fe++ 0.4341440E-10 0.8758345E-09 0.4875984E-04 2.8779 12 K+ 0.4300782E-02 0.4324114E-02 0.1685530E+03 4.3884 13 Na+ 0.3325229E-01 0.3448515E-01 0.7903285E+03 5.2736 14 Mn++ 0.3790248E-09 0.3160025E-08 0.1730628E-03 3.8202 15 Zn++ 0.2112161E-13 0.1780524E-07 0.1160291E-02 -0.4350 16 Cu+ 0.1520380E-12 0.5842702E-07 0.3700849E-02 -6.0664 17 Pb++ 0.7266692E-13 0.1200030E-07 0.2478571E-02 0.1115 18 Hg++ 0.2616695E-34 0.7481626E-10 0.1496048E-04 -21.3342 19 F- 0.2724881E-03 0.2837366E-03 0.5373578E+01 3.1822 Component Tot moles Aq. moles Solid moles Gas moles 1 H+ 0.1822172E+00 0.4557987E-02 -.5056036E-06 0.1776597E+00 2 H2O 0.5550825E+02 0.4769384E+02 -.6511572E-02 0.7820921E+01 3 Cl- 0.3072017E-01 0.3072017E-01 0.0000000E+00 0.7399388E-09 4 SO4-- -.4257700E-02 -.2233301E-04 0.3041977E-09 -.4235367E-02 5 HCO3- 0.1832100E+00 0.6188965E-02 0.0000000E+00 0.1770210E+00 6 HS- 0.9985820E-02 0.8764643E-03 0.1021830E-07 0.9109345E-02 7 H4SiO4 0.7855346E-02 0.4599374E-02 0.3255972E-02 0.0000000E+00 8 Al+++ 0.2253680E-05 0.2191453E-05 0.6222737E-07 0.0000000E+00 9 Ca++ 0.3561400E-04 0.3561400E-04 0.0000000E+00 0.0000000E+00 10 Mg++ 0.2355503E-06 0.8483808E-07 0.1507122E-06 0.0000000E+00 11 Fe++ 0.8017372E-08 0.7526024E-09 0.7264770E-08 0.0000000E+00 12 K+ 0.3715700E-02 0.3715700E-02 0.0000000E+00 0.0000000E+00 13 Na+ 0.2963300E-01 0.2963300E-01 0.0000000E+00 0.0000000E+00 14 Mn++ 0.2740424E-08 0.2715402E-08 0.2502207E-10 0.0000000E+00 15 Zn++ 0.1530000E-07 0.1530000E-07 0.0000000E+00 0.0000000E+00 16 Cu+ 0.6237410E-07 0.5020619E-07 0.1216791E-07 0.0000000E+00 17 Pb++ 0.1110000E-07 0.1031183E-07 0.7881710E-09 0.0000000E+00 18 Hg++ 0.4000000E-08 0.6428942E-10 0.0000000E+00 0.3935711E-08 19 F- 0.2439100E-03 0.2438141E-03 0.0000000E+00 0.9589439E-07 Chg. balance for solid moles: 0.4027E-16 Mass of aqueous solution: 0.861992E+03 g Temperature = 226.00 C Pressure = 26.16 bar Mixer frac. = 0.0000000 Log Log Vol Gas or mineral Moles Moles Grams Grams Wt.% (cm3) H2O,gas 7.987 0.902 143.8 2.158 94.80 0.1098E+05 CO2,gas 0.1742 -0.759 7.665 0.885 5.052 288.8 CH4,gas 0.2846E-02 -2.546 0.4564E-01 -1.341 0.3008E-01 5.090 H2,gas 0.5558E-02 -2.255 0.1123E-01 -1.950 0.7400E-02 8.910 H2S,gas 0.4874E-02 -2.312 0.1661 -0.780 0.1095 7.404 CO,gas 0.1001E-05 -5.999 0.2805E-04 -4.552 0.1849E-04 0.1589E-02 SO2,gas 0.1219E-12 -12.914 0.7810E-11 -11.107 0.5147E-11 0.1934E-09 HF,gas 0.9589E-07 -7.018 0.1918E-05 -5.717 0.1264E-05 0.1521E-03 HCl,gas 0.7399E-09 -9.131 0.2698E-07 -7.569 0.1778E-07 0.1174E-05 Hg,gas 0.3936E-08 -8.405 0.7895E-06 -6.103 0.5203E-06 0.6245E-05 clinochlore 0.3014E-07 -7.521 0.1675E-04 -4.776 0.8564E-02 0.6373E-05 daphnite 0.9662E-09 -9.015 0.6894E-06 -6.162 0.3524E-03 0.2089E-06 chlorite-Mn 0.5004E-11 -11.301 0.3548E-08 -8.450 0.1814E-05 0.1131E-08 quartz 0.3256E-02 -2.487 0.1956 -0.709 99.99 0.7387E-01 bornite 0.2434E-08 -8.614 0.1221E-05 -5.913 0.6242E-03 0.2402E-06 galena 0.7882E-09 -9.103 0.1886E-06 -6.725 0.9639E-04 0.2482E-07 Partial press. Fugacity coef Log fugacity Gas or Mineral Mole fraction or activity Activity coef Log activity H2O,gas 0.9771E+00 0.2556E+02 0.8851 1.355 CO2,gas 0.2131E-01 0.5573E+00 1.0096 -0.250 CH4,gas 0.3481E-03 0.9106E-02 1.1130 -1.994 H2,gas 0.6800E-03 0.1779E-01 1.0104 -1.745 H2S,gas 0.5963E-03 0.1560E-01 0.9575 -1.826 CO,gas 0.1225E-06 0.3204E-05 1.0000 -5.494 SO2,gas 0.1491E-13 0.3901E-12 1.0000 -12.409 HF,gas 0.1173E-07 0.3069E-06 1.0000 -6.513 HCl,gas 0.9052E-10 0.2368E-08 1.0000 -8.626 Hg,gas 0.4815E-09 0.1259E-07 1.0000 -7.900 clinochlore 0.9688E+00 0.9688E+00 1.0000 -0.014 daphnite 0.3106E-01 0.3106E-01 1.0000 -1.508 chlorite-Mn 0.1608E-03 0.1608E-03 1.0000 -3.794 quartz 0.1000E+01 0.1000E+01 1.0000 0.000 bornite 0.1000E+01 0.1000E+01 1.0000 0.000 galena 0.1000E+01 0.1000E+01 1.0000 0.000 Current weight percent of gas: 14.964624 % Solid products produced: Mass = 0.195632 g Volume = 0.073879 cm3 WARNING: mineral volume may be in error because some mineral densities were not supplied in SOLTHERM. See mineral list in file Skip_Species.txt. NON-Ideal mixing with H2O, CO2, CH4 Gases ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ The following gases and minerals are presently in matrix or were just added Gas or Mineral Log K Log Q Log(Q/K) Log(Q/K)/S Affinity Log Fugacity 1 H2O,gas 0.06 0.06 0.00 0.000 -0.22505E-11 2 CO2,gas -8.04 -8.04 -0.00 -0.000 0.40572E-11 3 CH4,gas 4.58 4.58 -0.00 -0.000 0.40572E-11 4 H2,gas 5.88 5.88 0.00 0.000 0.00000E+00 5 H2S,gas -7.09 -7.09 0.00 0.000 0.00000E+00 6 CO,gas -0.08 -0.08 -0.00 -0.000 0.20286E-11 7 SO2,gas -4.66 -4.66 -0.00 -0.000 0.40572E-11 8 HF,gas -2.68 -2.68 0.00 0.000 -0.20286E-11 9 HCl,gas 1.54 1.54 -0.00 -0.000 0.15215E-11 10 Hg,gas -9.30 -9.30 0.00 0.000 -0.81145E-11 43 clinochlore 18.62 18.62 0.00 0.000 -0.16229E-10 44 daphnite 10.66 10.66 0.00 0.000 -0.32458E-10 45 chlorite-Mn 26.80 26.80 0.00 0.000 -0.32458E-10 146 quartz -2.28 -2.28 -0.00 -0.000 0.10143E-11 198 bornite -70.13 -70.13 -0.00 -0.000 0.32458E-10 249 galena -10.22 -10.22 0.00 0.000 -0.40572E-11 The following gases and minerals are presently EXCLUDED from matrix (Gases and minerals with log(Q/K) less than -5 are not listed below) Gas or Mineral Log K Log Q Log(Q/K) Log(Q/K)/S Affinity Log Fugacity 11 acmite 5.28 2.24 -3.05 -0.316 0.69554E+04 15 albite-high -2.74 -3.78 -1.04 -0.080 0.23750E+04 16 albite -3.32 -3.78 -0.46 -0.035 0.10455E+04 20 analcite -0.32 -1.50 -1.19 -0.132 0.27071E+04 21 andalusite -3.55 -6.72 -3.16 -0.316 0.72237E+04 22 andradite 25.39 22.00 -3.39 -0.176 0.77484E+04 23 grossular 16.39 14.53 -1.86 -0.093 0.42587E+04 24 anhydrite -7.85 -12.61 -4.75 -2.376 0.10852E+05 25 ankerite -5.34 -7.95 -2.61 -0.434 0.59508E+04 27 phlogopite 14.60 13.23 -1.37 -0.076 0.31273E+04 29 anorthite 1.39 -0.39 -1.78 -0.137 0.40693E+04 32 aragonite -0.78 -1.11 -0.33 -0.110 0.75714E+03 33 brucite 8.79 5.96 -2.83 -0.566 0.64629E+04 34 calcite -0.93 -1.11 -0.18 -0.060 0.40777E+03 35 carnegieite-low 3.87 0.78 -3.09 -0.441 0.70553E+04 36 carnegieite-high 4.46 0.78 -3.68 -0.526 0.84125E+04 37 carpholite-Mg -0.72 -3.03 -2.31 -0.154 0.52867E+04 38 carpholite-Fe -2.20 -6.12 -3.92 -0.261 0.89499E+04 39 celadonite 1.00 -0.98 -1.97 -0.116 0.45081E+04 40 celadonite-Fe -0.30 -4.06 -3.76 -0.221 0.85887E+04 41 chrysotile 15.60 13.34 -2.26 -0.189 0.51688E+04 46 chlorite-Al-free 30.87 26.67 -4.20 -0.175 0.95839E+04 47 chloritoid-Mg 2.17 -0.75 -2.93 -0.195 0.66859E+04 48 chloritoid-Fe -0.78 -3.84 -3.06 -0.204 0.69966E+04 49 chloritoid-Mn 1.43 -2.90 -4.33 -0.289 0.98918E+04 51 coesite -1.80 -2.28 -0.48 -0.160 0.10944E+04 56 corundum -0.98 -4.44 -3.46 -0.315 0.79054E+04 58 cristobalite -2.04 -2.28 -0.24 -0.079 0.54342E+03 61 cymrite-K -1.28 -4.66 -3.38 -0.282 0.77238E+04 63 diaspore -1.02 -2.22 -1.20 -0.200 0.27409E+04 64 diamond -1.96 -4.27 -2.31 -0.660 0.52785E+04 65 diopside 10.48 10.01 -0.47 -0.047 0.10706E+04 66 hedenbergite 8.89 6.92 -1.97 -0.197 0.45032E+04 67 dolomite,ordered -3.23 -4.86 -1.63 -0.271 0.37146E+04 68 eastonite 9.55 5.10 -4.45 -0.171 0.10153E+05 69 enstatite 10.47 7.37 -3.10 -0.310 0.70858E+04 70 clinoenstatite-HiP 11.30 7.37 -3.93 -0.393 0.89688E+04 71 clinoenstatite 10.40 7.37 -3.03 -0.303 0.69264E+04 72 protoenstatite 10.83 7.37 -3.46 -0.346 0.79031E+04 73 epidote 9.25 7.45 -1.81 -0.088 0.41294E+04 74 clinozoisite 5.54 3.71 -1.83 -0.083 0.41792E+04 75 epidote-Fe 15.50 11.18 -4.31 -0.224 0.98503E+04 76 fayalite 7.96 3.48 -4.48 -0.640 0.10230E+05 77 ferrosilite 5.79 1.20 -4.59 -0.459 0.10482E+05 78 forsterite 13.28 9.65 -3.63 -0.519 0.82935E+04 81 gibbsite 0.31 -2.22 -2.53 -0.361 0.57795E+04 82 glaucophane 9.21 5.78 -3.43 -0.093 0.78328E+04 84 goethite 3.80 1.52 -2.28 -0.493 0.52049E+04 85 graphite -2.35 -4.27 -1.93 -0.550 0.43975E+04 88 halite 1.09 -3.23 -4.32 -2.159 0.98615E+04 89 hematite 6.79 3.04 -3.75 -0.454 0.85630E+04 90 heulandite -11.25 -11.78 -0.53 -0.024 0.12198E+04 94 jadeite 0.58 -1.50 -2.08 -0.208 0.47593E+04 96 kalsilite 2.96 -0.11 -3.07 -0.439 0.70118E+04 97 kaolinite -6.94 -8.99 -2.05 -0.186 0.46809E+04 98 kyanite -3.52 -6.72 -3.19 -0.319 0.72965E+04 100 laumontite -4.17 -4.95 -0.78 -0.052 0.17751E+04 101 lawsonite 0.93 -0.39 -1.32 -0.088 0.30175E+04 102 leucite 0.08 -2.39 -2.46 -0.246 0.56261E+04 104 lizardite 15.29 13.34 -1.95 -0.163 0.44543E+04 105 magnesite -1.61 -3.75 -2.13 -0.711 0.48724E+04 108 minnesotaite-Mg 12.48 8.78 -3.70 -0.218 0.84604E+04 112 margarite -1.47 -4.83 -3.37 -0.135 0.76892E+04 115 microcline -4.58 -4.66 -0.08 -0.006 0.18851E+03 116 monticellite 16.52 12.29 -4.23 -0.605 0.96671E+04 118 mullite-Si -1.98 -6.72 -4.74 -0.474 0.10823E+05 119 muscovite -7.31 -9.10 -1.79 -0.105 0.40891E+04 120 paragonite -6.27 -8.22 -1.95 -0.115 0.44468E+04 121 nepheline 3.32 0.78 -2.55 -0.364 0.58195E+04 126 periclase 10.87 5.96 -4.91 -1.228 0.11215E+05 127 periclase-Fe 7.39 2.88 -4.51 -1.128 0.10308E+05 133 phlogopite-Na 16.23 14.11 -2.12 -0.118 0.48348E+04 135 prehnite 6.87 5.93 -0.94 -0.055 0.21500E+04 136 prehnite-Fe 11.40 9.66 -1.74 -0.105 0.39721E+04 137 pumpellyite-Fe 16.24 12.51 -3.73 -0.083 0.85159E+04 138 pumpellyite-Mg 18.33 15.60 -2.73 -0.061 0.62286E+04 140 px-Ca-tschermaks 6.17 1.88 -4.29 -0.306 0.97874E+04 141 pyrite -19.51 -20.50 -0.99 -0.232 0.22547E+04 142 pyrrhotite -5.57 -7.45 -1.88 -0.628 0.43014E+04 143 pyrrhotiteFe0.875 -6.79 -8.15 -1.36 -0.500 0.31046E+04 144 pyroxmangite 4.77 1.54 -3.22 -0.645 0.73617E+04 145 pyrophyllite -11.24 -13.55 -2.31 -0.145 0.52834E+04 151 rhodochrosite -2.39 -5.89 -3.50 -1.166 0.79917E+04 152 rhodonite 4.78 1.54 -3.24 -0.648 0.74047E+04 153 sanidine -3.68 -4.66 -0.99 -0.076 0.22559E+04 155 siderite -4.12 -6.83 -2.71 -0.904 0.61933E+04 156 sillimanite -3.39 -6.72 -3.32 -0.332 0.75878E+04 163 stilbite -10.49 -11.78 -1.29 -0.062 0.29534E+04 165 stilpnomelane-Mg 10.20 9.35 -0.85 -0.025 0.19461E+04 166 stishovite 2.22 -2.28 -4.50 -1.499 0.10268E+05 168 sudoite 1.14 -3.78 -4.93 -0.159 0.11249E+05 169 sulfur -8.70 -13.05 -4.35 -1.338 0.99343E+04 171 talc 9.48 8.78 -0.70 -0.041 0.15912E+04 173 talc-tschermaks 5.20 0.66 -4.55 -0.268 0.10391E+05 178 topaz-H -2.84 -6.72 -3.88 -0.352 0.88521E+04 179 tridymite -2.07 -2.28 -0.21 -0.070 0.47979E+03 180 tremolite 29.59 28.80 -0.80 -0.022 0.18182E+04 182 troilite-low -5.61 -7.45 -1.84 -0.614 0.42093E+04 188 wairakite -4.39 -4.95 -0.56 -0.033 0.12902E+04 189 walstromite 8.11 6.32 -1.79 -0.358 0.40841E+04 190 wollastonite 7.34 6.32 -1.02 -0.204 0.23246E+04 191 pseudo-wollastonite 7.68 6.32 -1.36 -0.272 0.31007E+04 192 zoisite 5.57 3.71 -1.87 -0.085 0.42634E+04 193 beidellite-Ca -9.17 -12.11 -2.94 -0.182 0.67252E+04 194 beidellite-H -9.54 -13.53 -3.99 -0.255 0.91235E+04 195 beidellite-K -8.61 -12.08 -3.47 -0.213 0.79368E+04 196 beidellite-Mg -9.40 -12.55 -3.15 -0.195 0.71944E+04 197 beidellite-Na -8.55 -11.79 -3.24 -0.199 0.74100E+04 200 chalcedony -2.14 -2.28 -0.14 -0.047 0.32141E+03 201 chalcocite -21.06 -22.46 -1.40 -0.349 0.31925E+04 202 covellite -15.74 -17.75 -2.01 -0.767 0.46013E+04 204 montmorillonite-Ca -7.68 -9.43 -1.75 -0.108 0.39980E+04 205 montmorillonite-K -7.24 -9.40 -2.16 -0.133 0.49437E+04 206 montmorillonite-Mg -7.94 -9.87 -1.93 -0.119 0.44081E+04 207 montmorillonite-Na -7.10 -9.11 -2.01 -0.123 0.45940E+04 209 nontronite-Ca -0.87 -4.64 -3.76 -0.244 0.85935E+04 210 nontronite-H -1.25 -6.05 -4.81 -0.322 0.10983E+05 211 nontronite-K -0.31 -4.61 -4.29 -0.275 0.98028E+04 212 nontronite-Mg -1.10 -5.07 -3.97 -0.258 0.90695E+04 213 nontronite-Na -0.25 -4.31 -4.06 -0.261 0.92806E+04 229 tobermorite 8.33 4.89 -3.45 -0.941 0.78762E+04 235 alabandite -2.76 -6.51 -3.75 -1.249 0.85565E+04 240 boehmite -0.09 -2.22 -2.13 -0.356 0.48730E+04 242 chalcopyrite -24.62 -25.21 -0.59 -0.109 0.13416E+04 245 copper,native -1.23 -4.71 -3.48 -1.210 0.79474E+04 246 dolomite,disordered -2.87 -4.86 -2.00 -0.333 0.45574E+04 247 ferrous-oxide 5.99 2.88 -3.11 -0.777 0.70998E+04 248 fluorite -11.15 -12.62 -1.47 -0.489 0.33533E+04 257 silica-amorphous -1.72 -2.28 -0.56 -0.186 0.12741E+04 260 sphalerite -10.02 -10.76 -0.74 -0.247 0.16907E+04 261 wurtzite -8.66 -10.76 -2.11 -0.702 0.48135E+04 263 an20ab80 -2.60 -3.10 -0.51 -0.039 0.11537E+04 264 an25ab75 -2.39 -2.93 -0.54 -0.042 0.12430E+04 265 an30ab70 -2.17 -2.76 -0.59 -0.045 0.13460E+04 266 tr.625ac.25prg.125 25.62 24.59 -1.03 -0.028 0.23544E+04 271 FeS-amorphous -3.94 -7.45 -3.51 -1.170 0.80190E+04 Calculations done for 226.0000 Deg. C; 26.1566 bar Enthalpies: Pure water 4.1844 kcal/mole H2O,gas 12.0744 kcal/mole CO2,gas 2.8585 kcal/mole CH4,gas 2.7700 kcal/mole Current solution 199.5901 Gas 96.9405 kcal Total current enthalpy 296.5306 kcal Starting enthalpy 296.5306 kcal Temperature changed by -2.000 degrees to 224.000 degrees C. Solids and gases carried ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ Test file for CHIM-XPT. Boil Broadlands Water Water similar to Broadlands Well No. 2 CHIMRUN demo-2a ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ Number of loops used = 13 Loop limit = 200 Temperature = 224.00 C Pressure = 25.18 bar Mixer fraction = 0.0000000 Total current enthalpy = 296.5306 KCAL Water: Moles liquid = 0.4746E+02 kg liquid = 0.8550E+00 Moles total = 0.5551E+02 kg total = 0.1000E+01 Activity = 0.9999 Stoichiometric ionic strength = .4158532E-01 Osmotic coef. = 0.9083 True ionic strength = .3785919E-01 Chg. balance for total moles = 0.2402E-07 Max. difference allowed = 0.3072E-05 Log Log Log Species(n) Molality Molality Activity Activity Gamma Gamma 1 H+ 0.17004E-06 -6.7695 0.12411E-06 -6.9062 0.72990E+00 -0.1367 2 H2O 0.99991E+00 -0.0000 0.99991E+00 -0.0000 3 Cl- 0.34787E-01 -1.4586 0.25053E-01 -1.6011 0.72020E+00 -0.1425 4 SO4-- 0.14358E-06 -6.8429 0.42202E-07 -7.3747 0.29392E+00 -0.5318 5 HCO3- 0.21212E-02 -2.6734 0.15366E-02 -2.8134 0.72442E+00 -0.1400 6 HS- 0.51032E-03 -3.2922 0.36776E-03 -3.4344 0.72064E+00 -0.1423 7 H4SiO4 0.51712E-02 -2.2864 0.51712E-02 -2.2864 0.10000E+01 0.0000 8 Al+++ 0.21164E-21 -21.6744 0.13201E-22 -22.8794 0.62376E-01 -1.2050 9 Ca++ 0.23144E-04 -4.6356 0.66537E-05 -5.1769 0.28749E+00 -0.5414 10 Mg++ 0.54121E-07 -7.2666 0.15302E-07 -7.8152 0.28274E+00 -0.5486 11 Fe++ 0.41146E-10 -10.3857 0.11682E-10 -10.9325 0.28391E+00 -0.5468 12 K+ 0.43231E-02 -2.3642 0.31366E-02 -2.5035 0.72555E+00 -0.1393 13 Na+ 0.33448E-01 -1.4756 0.24096E-01 -1.6181 0.72041E+00 -0.1424 14 Mn++ 0.39936E-09 -9.3986 0.11373E-09 -9.9441 0.28477E+00 -0.5455 15 Zn++ 0.22930E-13 -13.6396 0.65100E-14 -14.1864 0.28391E+00 -0.5468 16 Cu+ 0.13824E-12 -12.8594 0.99571E-13 -13.0019 0.72026E+00 -0.1425 17 Pb++ 0.68333E-13 -13.1654 0.19846E-13 -13.7023 0.29043E+00 -0.5370 18 Hg++ 0.21868E-34 -34.6602 0.63206E-35 -35.1992 0.28904E+00 -0.5390 19 F- 0.27431E-03 -3.5618 0.19543E-03 -3.7090 0.71246E+00 -0.1472 21 HSiO3- 0.65760E-04 -4.1820 0.47360E-04 -4.3246 0.72020E+00 -0.1425 22 Ca(HSiO3)+ 0.14120E-06 -6.8502 0.10253E-06 -6.9892 0.72610E+00 -0.1390 23 Mg(HSiO3)+ 0.24841E-09 -9.6048 0.18037E-09 -9.7438 0.72610E+00 -0.1390 24 NaHSiO3,aq 0.12951E-04 -4.8877 0.12951E-04 -4.8877 0.10000E+01 0.0000 27 HAlO2,aq 0.77601E-08 -8.1101 0.77601E-08 -8.1101 0.10000E+01 0.0000 28 AlO2- 0.25552E-05 -5.5926 0.18235E-05 -5.7391 0.71366E+00 -0.1465 29 CH4,aq 0.15835E-04 -4.8004 0.15635E-04 -4.8059 0.98740E+00 -0.0055 34 CO,aq 0.60669E-08 -8.2170 0.60669E-08 -8.2170 0.10000E+01 0.0000 35 CO2,aq 0.46581E-02 -2.3318 0.45994E-02 -2.3373 0.98740E+00 -0.0055 36 CO3-2 0.97181E-06 -6.0124 0.28362E-06 -6.5473 0.29185E+00 -0.5348 37 CaCO3,aq 0.11850E-05 -5.9263 0.11850E-05 -5.9263 0.10000E+01 0.0000 38 Ca(HCO3)+ 0.66815E-05 -5.1751 0.48514E-05 -5.3141 0.72610E+00 -0.1390 39 CaCl+ 0.76237E-05 -5.1178 0.55356E-05 -5.2568 0.72610E+00 -0.1390 40 CaCl2,aq 0.77619E-07 -7.1100 0.77619E-07 -7.1100 0.10000E+01 0.0000 41 CaF+ 0.59809E-06 -6.2232 0.43427E-06 -6.3622 0.72610E+00 -0.1390 42 CaOH+ 0.21995E-05 -5.6577 0.15971E-05 -5.7967 0.72610E+00 -0.1390 43 CaSO4,aq 0.15578E-08 -8.8075 0.15578E-08 -8.8075 0.10000E+01 0.0000 44 HCl,aq 0.38303E-08 -8.4168 0.38303E-08 -8.4168 0.10000E+01 0.0000 53 CuCl,aq 0.18696E-10 -10.7283 0.18696E-10 -10.7283 0.10000E+01 0.0000 54 CuCl2- 0.13286E-10 -10.8766 0.95685E-11 -11.0192 0.72020E+00 -0.1425 61 HF,aq 0.32462E-05 -5.4886 0.32462E-05 -5.4886 0.10000E+01 0.0000 62 HF2- 0.27653E-09 -9.5583 0.19916E-09 -9.7008 0.72020E+00 -0.1425 69 FeO,aq 0.24135E-09 -9.6174 0.24135E-09 -9.6174 0.10000E+01 0.0000 70 FeOH+ 0.28914E-09 -9.5389 0.20994E-09 -9.6779 0.72610E+00 -0.1390 71 HFeO2- 0.10080E-09 -9.9966 0.72593E-10 -10.1391 0.72020E+00 -0.1425 74 FeO2- 0.86417E-10 -10.0634 0.62237E-10 -10.2060 0.72020E+00 -0.1425 75 HFeO2,aq 0.31540E-10 -10.5011 0.31540E-10 -10.5011 0.10000E+01 0.0000 76 H2,aq 0.32544E-04 -4.4875 0.32133E-04 -4.4930 0.98740E+00 -0.0055 77 Hg,aq 0.68127E-10 -10.1667 0.67269E-10 -10.1722 0.98740E+00 -0.0055 90 KCl,aq 0.22149E-04 -4.6546 0.22149E-04 -4.6546 0.10000E+01 0.0000 92 KOH,aq 0.43406E-06 -6.3625 0.43406E-06 -6.3625 0.10000E+01 0.0000 93 KSO4- 0.25620E-07 -7.5914 0.18452E-07 -7.7340 0.72020E+00 -0.1425 94 MgCO3,aq 0.33995E-09 -9.4686 0.33995E-09 -9.4686 0.10000E+01 0.0000 95 Mg(HCO3)+ 0.14428E-07 -7.8408 0.10476E-07 -7.9798 0.72610E+00 -0.1390 96 MgCl+ 0.92607E-08 -8.0334 0.67242E-08 -8.1724 0.72610E+00 -0.1390 97 MgF+ 0.39025E-08 -8.4087 0.28336E-08 -8.5477 0.72610E+00 -0.1390 98 MgOH+ 0.16439E-07 -7.7841 0.11936E-07 -7.9231 0.72610E+00 -0.1390 101 MnO,aq 0.70694E-10 -10.1506 0.70694E-10 -10.1506 0.10000E+01 0.0000 102 MnOH+ 0.39783E-09 -9.4003 0.28887E-09 -9.5393 0.72610E+00 -0.1390 107 MnCl+ 0.13936E-08 -8.8559 0.10119E-08 -8.9949 0.72610E+00 -0.1390 109 NaCl,aq 0.11124E-02 -2.9538 0.11124E-02 -2.9538 0.10000E+01 0.0000 110 NaF,aq 0.69979E-05 -5.1550 0.69979E-05 -5.1550 0.10000E+01 0.0000 111 NaOH,aq 0.22329E-05 -5.6511 0.22329E-05 -5.6511 0.10000E+01 0.0000 113 OH- 0.71328E-04 -4.1467 0.50904E-04 -4.2932 0.71366E+00 -0.1465 122 PbO,aq 0.16504E-10 -10.7824 0.16504E-10 -10.7824 0.10000E+01 0.0000 124 Pb(HS)2,aq 0.10342E-07 -7.9854 0.10342E-07 -7.9854 0.10000E+01 0.0000 125 Pb(HS)3- 0.15392E-09 -9.8127 0.11085E-09 -9.9552 0.72020E+00 -0.1425 126 H2S,aq 0.43821E-03 -3.3583 0.43269E-03 -3.3638 0.98740E+00 -0.0055 127 S2-2 0.13428E-09 -9.8720 0.39189E-10 -10.4068 0.29185E+00 -0.5348 134 HSO3- 0.11735E-10 -10.9305 0.84515E-11 -11.0731 0.72020E+00 -0.1425 135 HSO4- 0.49793E-09 -9.3028 0.36257E-09 -9.4406 0.72814E+00 -0.1378 153 ZnO,aq 0.13557E-10 -10.8678 0.13557E-10 -10.8678 0.10000E+01 0.0000 154 ZnOH+ 0.16819E-09 -9.7742 0.12212E-09 -9.9132 0.72610E+00 -0.1390 164 Cu(HS)2- 0.56562E-07 -7.2475 0.40736E-07 -7.3900 0.72020E+00 -0.1425 166 CuH4S3-b 0.10195E-09 -9.9916 0.73421E-10 -10.1342 0.72020E+00 -0.1425 179 MgSO4,aq 0.11981E-10 -10.9215 0.11981E-10 -10.9215 0.10000E+01 0.0000 180 MnCl2,aq 0.54969E-09 -9.2599 0.54969E-09 -9.2599 0.10000E+01 0.0000 181 MnCl3- 0.92813E-10 -10.0324 0.66843E-10 -10.1749 0.72020E+00 -0.1425 182 MnCO3,aq 0.26327E-09 -9.5796 0.26327E-09 -9.5796 0.10000E+01 0.0000 183 NaCO3- 0.50911E-06 -6.2932 0.36666E-06 -6.4357 0.72020E+00 -0.1425 184 NaHCO3,aq 0.59964E-04 -4.2221 0.59964E-04 -4.2221 0.10000E+01 0.0000 185 NaHS,aq 0.14351E-04 -4.8431 0.14351E-04 -4.8431 0.10000E+01 0.0000 186 NaSO4- 0.46143E-07 -7.3359 0.33232E-07 -7.4784 0.72020E+00 -0.1425 187 PbCO3,aq 0.40963E-09 -9.3876 0.40963E-09 -9.3876 0.10000E+01 0.0000 188 PbOH+ 0.62120E-10 -10.2068 0.45106E-10 -10.3458 0.72610E+00 -0.1390 193 Zn(HS)2,aq 0.17348E-07 -7.7607 0.17348E-07 -7.7607 0.10000E+01 0.0000 194 Zn(HS)3- 0.35594E-09 -9.4486 0.25634E-09 -9.5912 0.72020E+00 -0.1425 Charge balance for all species = 0.2809E-07 Component Molality Aq.molality ppm log[A(N)/A(H+)**Z] (total) 1 H+ 0.1700361E-06 0.4923610E-02 0.4947262E+01 0.0000 2 H2O 0.1000000E+01 0.5550364E+02 0.9968036E+06 0.0000 3 Cl- 0.3478654E-01 0.3592884E-01 0.1269822E+04 5.3051 4 SO4-- 0.1435823E-06 -.2375464E-04 -.2274809E+01 6.4377 5 HCO3- 0.2121180E-02 0.6864429E-02 0.4175450E+03 4.0928 6 HS- 0.5103167E-03 0.9870252E-03 0.3254133E+02 3.4718 7 H4SiO4 0.5171183E-02 0.5250035E-02 0.5030391E+03 -2.2864 8 Al+++ 0.2116445E-21 0.2562960E-05 0.6893733E-01 -2.1608 9 Ca++ 0.2314431E-04 0.4165243E-04 0.1664152E+01 8.6355 10 Mg++ 0.5412109E-07 0.9875143E-07 0.2393375E-02 5.9972 11 Fe++ 0.4114603E-10 0.8014382E-09 0.4461865E-04 2.8799 12 K+ 0.4323097E-02 0.4345705E-02 0.1693970E+03 4.4027 13 Na+ 0.3344793E-01 0.3465734E-01 0.7942862E+03 5.2881 14 Mn++ 0.3993603E-09 0.3174676E-08 0.1738677E-03 3.8683 15 Zn++ 0.2292991E-13 0.1789415E-07 0.1166101E-02 -0.3740 16 Cu+ 0.1382428E-12 0.5669762E-07 0.3591358E-02 -6.0957 17 Pb++ 0.6833328E-13 0.1099039E-07 0.2270013E-02 0.1101 18 Hg++ 0.2186805E-34 0.6861318E-10 0.1372029E-04 -21.3868 19 F- 0.2743116E-03 0.2851582E-03 0.5400580E+01 3.1972 Component Tot moles Aq. moles Solid moles Gas moles 1 H+ 0.1822172E+00 0.4209825E-02 -.5079137E-06 0.1780079E+00 2 H2O 0.5550825E+02 0.4745717E+02 -.6732464E-02 0.8057812E+01 3 Cl- 0.3072017E-01 0.3072017E-01 0.0000000E+00 0.6967527E-09 4 SO4-- -.4257700E-02 -.2031089E-04 0.3474010E-09 -.4237389E-02 5 HCO3- 0.1832100E+00 0.5869279E-02 0.0000000E+00 0.1773407E+00 6 HS- 0.9985820E-02 0.8439343E-03 0.1247234E-07 0.9141873E-02 7 H4SiO4 0.7855346E-02 0.4488927E-02 0.3366418E-02 0.0000000E+00 8 Al+++ 0.2253680E-05 0.2191403E-05 0.6227757E-07 0.0000000E+00 9 Ca++ 0.3561400E-04 0.3561400E-04 0.0000000E+00 0.0000000E+00 10 Mg++ 0.2355503E-06 0.8443524E-07 0.1511150E-06 0.0000000E+00 11 Fe++ 0.8017372E-08 0.6852521E-09 0.7332120E-08 0.0000000E+00 12 K+ 0.3715700E-02 0.3715700E-02 0.0000000E+00 0.0000000E+00 13 Na+ 0.2963300E-01 0.2963300E-01 0.0000000E+00 0.0000000E+00 14 Mn++ 0.2740424E-08 0.2714437E-08 0.2598673E-10 0.0000000E+00 15 Zn++ 0.1530000E-07 0.1530000E-07 0.0000000E+00 0.0000000E+00 16 Cu+ 0.6237410E-07 0.4847806E-07 0.1389604E-07 0.0000000E+00 17 Pb++ 0.1110000E-07 0.9397090E-08 0.1702910E-08 0.0000000E+00 18 Hg++ 0.4000000E-08 0.5866620E-10 0.0000000E+00 0.3941334E-08 19 F- 0.2439100E-03 0.2438183E-03 0.0000000E+00 0.9169097E-07 Chg. balance for solid moles: 0.8251E-17 Mass of aqueous solution: 0.857697E+03 g Temperature = 224.00 C Pressure = 25.18 bar Mixer frac. = 0.0000000 Log Log Vol Gas or mineral Moles Moles Grams Grams Wt.% (cm3) H2O,gas 8.224 0.915 148.1 2.171 94.93 0.1175E+05 CO2,gas 0.1745 -0.758 7.680 0.885 4.922 299.1 CH4,gas 0.2840E-02 -2.547 0.4555E-01 -1.342 0.2919E-01 5.240 H2,gas 0.5590E-02 -2.253 0.1129E-01 -1.947 0.7237E-02 9.269 H2S,gas 0.4904E-02 -2.309 0.1671 -0.777 0.1071 7.716 CO,gas 0.9407E-06 -6.027 0.2635E-04 -4.579 0.1689E-04 0.1544E-02 SO2,gas 0.1122E-12 -12.950 0.7185E-11 -11.144 0.4605E-11 0.1841E-09 HF,gas 0.9169E-07 -7.038 0.1834E-05 -5.737 0.1175E-05 0.1505E-03 HCl,gas 0.6968E-09 -9.157 0.2540E-07 -7.595 0.1628E-07 0.1144E-05 Hg,gas 0.3941E-08 -8.404 0.7906E-06 -6.102 0.5067E-06 0.6470E-05 clinochlore 0.3022E-07 -7.520 0.1680E-04 -4.775 0.8305E-02 0.6390E-05 daphnite 0.9106E-09 -9.041 0.6497E-06 -6.187 0.3212E-03 0.1969E-06 chlorite-Mn 0.5197E-11 -11.284 0.3685E-08 -8.434 0.1822E-05 0.1174E-08 quartz 0.3366E-02 -2.473 0.2022 -0.694 99.99 0.7638E-01 bornite 0.2779E-08 -8.556 0.1395E-05 -5.856 0.6895E-03 0.2744E-06 galena 0.1703E-08 -8.769 0.4074E-06 -6.390 0.2014E-03 0.5362E-07 Partial press. Fugacity coef Log fugacity Gas or Mineral Mole fraction or activity Activity coef Log activity H2O,gas 0.9777E+00 0.2462E+02 0.8876 1.339 CO2,gas 0.2074E-01 0.5223E+00 1.0106 -0.277 CH4,gas 0.3376E-03 0.8500E-02 1.1104 -2.025 H2,gas 0.6645E-03 0.1673E-01 1.0101 -1.772 H2S,gas 0.5831E-03 0.1468E-01 0.9585 -1.852 CO,gas 0.1118E-06 0.2816E-05 1.0000 -5.550 SO2,gas 0.1333E-13 0.3357E-12 1.0000 -12.474 HF,gas 0.1090E-07 0.2745E-06 1.0000 -6.562 HCl,gas 0.8283E-10 0.2086E-08 1.0000 -8.681 Hg,gas 0.4686E-09 0.1180E-07 1.0000 -7.928 clinochlore 0.9706E+00 0.9706E+00 1.0000 -0.013 daphnite 0.2924E-01 0.2924E-01 1.0000 -1.534 chlorite-Mn 0.1669E-03 0.1669E-03 1.0000 -3.778 quartz 0.1000E+01 0.1000E+01 1.0000 0.000 bornite 0.1000E+01 0.1000E+01 1.0000 0.000 galena 0.1000E+01 0.1000E+01 1.0000 0.000 Current weight percent of gas: 15.387475 % Solid products produced: Mass = 0.202268 g Volume = 0.076385 cm3 WARNING: mineral volume may be in error because some mineral densities were not supplied in SOLTHERM. See mineral list in file Skip_Species.txt. NON-Ideal mixing with H2O, CO2, CH4 Gases ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ The following gases and minerals are presently in matrix or were just added Gas or Mineral Log K Log Q Log(Q/K) Log(Q/K)/S Affinity Log Fugacity 1 H2O,gas 0.06 0.06 -0.00 -0.000 0.30822E-09 2 CO2,gas -8.04 -8.04 0.00 0.000 -0.10102E-09 3 CH4,gas 4.55 4.55 0.00 0.000 -0.29499E-09 4 H2,gas 5.88 5.88 0.00 0.000 -0.22225E-10 5 H2S,gas -7.09 -7.09 -0.00 -0.000 0.10305E-09 6 CO,gas -0.06 -0.06 -0.00 -0.000 0.25256E-11 7 SO2,gas -4.60 -4.60 0.00 0.000 0.00000E+00 8 HF,gas -2.65 -2.65 -0.00 -0.000 0.50512E-11 9 HCl,gas 1.57 1.57 -0.00 -0.000 0.45461E-11 10 Hg,gas -9.35 -9.35 0.00 0.000 -0.80820E-11 43 clinochlore 18.87 18.87 0.00 0.000 -0.16164E-10 44 daphnite 10.89 10.89 0.00 0.000 -0.24246E-10 45 chlorite-Mn 27.05 27.05 0.00 0.000 -0.16164E-10 146 quartz -2.29 -2.29 0.00 0.000 0.00000E+00 198 bornite -70.32 -70.32 0.00 0.000 -0.32328E-10 249 galena -10.23 -10.23 -0.00 -0.000 0.80820E-11 The following gases and minerals are presently EXCLUDED from matrix (Gases and minerals with log(Q/K) less than -5 are not listed below) Gas or Mineral Log K Log Q Log(Q/K) Log(Q/K)/S Affinity Log Fugacity 11 acmite 5.31 2.24 -3.07 -0.319 0.69895E+04 15 albite-high -2.70 -3.73 -1.04 -0.080 0.23578E+04 16 albite -3.28 -3.73 -0.45 -0.035 0.10205E+04 20 analcite -0.27 -1.45 -1.18 -0.131 0.26732E+04 21 andalusite -3.44 -6.61 -3.17 -0.317 0.72007E+04 22 andradite 25.57 22.10 -3.47 -0.180 0.78967E+04 23 grossular 16.60 14.73 -1.87 -0.094 0.42640E+04 24 anhydrite -7.81 -12.55 -4.75 -2.373 0.10794E+05 25 ankerite -5.29 -7.92 -2.64 -0.440 0.60017E+04 27 phlogopite 14.75 13.37 -1.38 -0.076 0.31324E+04 29 anorthite 1.53 -0.26 -1.79 -0.138 0.40751E+04 32 aragonite -0.75 -1.08 -0.33 -0.111 0.75700E+03 33 brucite 8.84 6.00 -2.84 -0.568 0.64640E+04 34 calcite -0.90 -1.08 -0.18 -0.060 0.40885E+03 35 carnegieite-low 3.93 0.84 -3.09 -0.441 0.70278E+04 36 carnegieite-high 4.53 0.84 -3.69 -0.527 0.83922E+04 37 carpholite-Mg -0.60 -2.90 -2.30 -0.153 0.52337E+04 38 carpholite-Fe -2.08 -6.01 -3.93 -0.262 0.89446E+04 39 celadonite 1.05 -0.91 -1.96 -0.115 0.44550E+04 40 celadonite-Fe -0.25 -4.02 -3.77 -0.222 0.85874E+04 41 chrysotile 15.70 13.42 -2.28 -0.190 0.51874E+04 46 chlorite-Al-free 31.06 26.84 -4.23 -0.176 0.96149E+04 47 chloritoid-Mg 2.31 -0.61 -2.93 -0.195 0.66562E+04 48 chloritoid-Fe -0.65 -3.73 -3.08 -0.205 0.70090E+04 49 chloritoid-Mn 1.56 -2.74 -4.30 -0.287 0.97883E+04 51 coesite -1.81 -2.29 -0.48 -0.160 0.10939E+04 56 corundum -0.86 -4.32 -3.46 -0.315 0.78822E+04 58 cristobalite -2.05 -2.29 -0.24 -0.080 0.54607E+03 61 cymrite-K -1.24 -4.62 -3.37 -0.281 0.76739E+04 63 diaspore -0.97 -2.16 -1.19 -0.199 0.27117E+04 64 diamond -1.97 -4.30 -2.32 -0.664 0.52850E+04 65 diopside 10.55 10.06 -0.49 -0.049 0.11085E+04 66 hedenbergite 8.96 6.94 -2.02 -0.202 0.45896E+04 67 dolomite,ordered -3.17 -4.81 -1.63 -0.272 0.37176E+04 68 eastonite 9.79 5.34 -4.45 -0.171 0.10114E+05 69 enstatite 10.56 7.42 -3.14 -0.314 0.71334E+04 70 clinoenstatite-HiP 11.38 7.42 -3.96 -0.396 0.90160E+04 71 clinoenstatite 10.49 7.42 -3.07 -0.307 0.69736E+04 72 protoenstatite 10.92 7.42 -3.50 -0.350 0.79527E+04 73 epidote 9.45 7.61 -1.84 -0.089 0.41801E+04 74 clinozoisite 5.76 3.93 -1.83 -0.083 0.41637E+04 75 epidote-Fe 15.68 11.30 -4.38 -0.228 0.99643E+04 76 fayalite 8.03 3.47 -4.56 -0.651 0.10372E+05 77 ferrosilite 5.86 1.19 -4.67 -0.467 0.10622E+05 78 forsterite 13.37 9.71 -3.67 -0.524 0.83418E+04 81 gibbsite 0.36 -2.16 -2.52 -0.360 0.57321E+04 82 glaucophane 9.38 5.96 -3.42 -0.093 0.77900E+04 84 goethite 3.83 1.52 -2.31 -0.499 0.52472E+04 85 graphite -2.36 -4.30 -1.94 -0.553 0.44062E+04 88 halite 1.10 -3.22 -4.32 -2.162 0.98345E+04 89 hematite 6.86 3.05 -3.81 -0.462 0.86714E+04 90 heulandite -11.18 -11.69 -0.51 -0.023 0.11635E+04 94 jadeite 0.63 -1.45 -2.07 -0.207 0.47194E+04 96 kalsilite 3.02 -0.04 -3.07 -0.438 0.69726E+04 97 kaolinite -6.87 -8.89 -2.02 -0.184 0.46018E+04 98 kyanite -3.41 -6.61 -3.20 -0.320 0.72693E+04 100 laumontite -4.08 -4.83 -0.75 -0.050 0.17067E+04 101 lawsonite 1.04 -0.26 -1.30 -0.087 0.29531E+04 102 leucite 0.13 -2.33 -2.46 -0.246 0.55956E+04 104 lizardite 15.38 13.42 -1.96 -0.164 0.44659E+04 105 magnesite -1.58 -3.72 -2.14 -0.714 0.48752E+04 108 minnesotaite-Mg 12.58 8.85 -3.74 -0.220 0.85014E+04 112 margarite -1.22 -4.58 -3.36 -0.134 0.76361E+04 115 microcline -4.55 -4.62 -0.06 -0.005 0.14671E+03 116 monticellite 16.61 12.35 -4.27 -0.610 0.97080E+04 118 mullite-Si -1.86 -6.61 -4.75 -0.475 0.10804E+05 119 muscovite -7.18 -8.94 -1.76 -0.103 0.39966E+04 120 paragonite -6.13 -8.05 -1.92 -0.113 0.43668E+04 121 nepheline 3.39 0.84 -2.55 -0.364 0.57925E+04 126 periclase 10.94 6.00 -4.94 -1.235 0.11239E+05 127 periclase-Fe 7.44 2.88 -4.56 -1.141 0.10380E+05 133 phlogopite-Na 16.39 14.26 -2.13 -0.119 0.48560E+04 135 prehnite 7.03 6.09 -0.94 -0.055 0.21356E+04 136 prehnite-Fe 11.55 9.77 -1.77 -0.106 0.40274E+04 137 pumpellyite-Fe 16.63 12.90 -3.73 -0.083 0.84810E+04 138 pumpellyite-Mg 18.72 16.02 -2.70 -0.060 0.61476E+04 140 px-Ca-tschermaks 6.33 2.03 -4.30 -0.307 0.97817E+04 141 pyrite -19.51 -20.51 -1.00 -0.235 0.22763E+04 142 pyrrhotite -5.54 -7.46 -1.92 -0.639 0.43642E+04 143 pyrrhotiteFe0.875 -6.77 -8.16 -1.39 -0.510 0.31564E+04 144 pyroxmangite 4.80 1.58 -3.22 -0.643 0.73167E+04 145 pyrophyllite -11.17 -13.47 -2.30 -0.144 0.52300E+04 151 rhodochrosite -2.37 -5.85 -3.48 -1.161 0.79251E+04 152 rhodonite 4.82 1.58 -3.24 -0.647 0.73605E+04 153 sanidine -3.64 -4.62 -0.97 -0.075 0.22141E+04 155 siderite -4.10 -6.84 -2.74 -0.915 0.62420E+04 156 sillimanite -3.28 -6.61 -3.33 -0.333 0.75661E+04 163 stilbite -10.45 -11.69 -1.24 -0.059 0.28223E+04 165 stilpnomelane-Mg 10.42 9.57 -0.84 -0.025 0.19205E+04 166 stishovite 2.22 -2.29 -4.51 -1.503 0.10260E+05 168 sudoite 1.40 -3.51 -4.91 -0.158 0.11164E+05 169 sulfur -8.69 -13.05 -4.36 -1.341 0.99151E+04 171 talc 9.56 8.85 -0.72 -0.042 0.16301E+04 173 talc-tschermaks 5.38 0.81 -4.57 -0.269 0.10389E+05 178 topaz-H -2.74 -6.61 -3.86 -0.351 0.87913E+04 179 tridymite -2.07 -2.29 -0.21 -0.071 0.48223E+03 180 tremolite 29.82 28.97 -0.85 -0.023 0.19362E+04 182 troilite-low -5.58 -7.46 -1.88 -0.626 0.42694E+04 188 wairakite -4.28 -4.83 -0.55 -0.033 0.12611E+04 189 walstromite 8.15 6.35 -1.80 -0.361 0.41013E+04 190 wollastonite 7.38 6.35 -1.03 -0.206 0.23413E+04 191 pseudo-wollastonite 7.72 6.35 -1.37 -0.274 0.31197E+04 192 zoisite 5.80 3.93 -1.87 -0.085 0.42483E+04 193 beidellite-Ca -9.07 -12.00 -2.93 -0.181 0.66728E+04 194 beidellite-H -9.44 -13.43 -3.99 -0.254 0.90655E+04 195 beidellite-K -8.51 -11.97 -3.46 -0.212 0.78699E+04 196 beidellite-Mg -9.30 -12.44 -3.14 -0.194 0.71432E+04 197 beidellite-Na -8.45 -11.68 -3.23 -0.198 0.73474E+04 200 chalcedony -2.15 -2.29 -0.14 -0.047 0.32135E+03 201 chalcocite -21.14 -22.53 -1.39 -0.348 0.31711E+04 202 covellite -15.78 -17.79 -2.01 -0.766 0.45733E+04 204 montmorillonite-Ca -7.61 -9.35 -1.74 -0.108 0.39615E+04 205 montmorillonite-K -7.17 -9.32 -2.15 -0.132 0.48958E+04 206 montmorillonite-Mg -7.86 -9.79 -1.92 -0.119 0.43726E+04 207 montmorillonite-Na -7.03 -9.03 -2.00 -0.122 0.45473E+04 209 nontronite-Ca -0.82 -4.63 -3.81 -0.247 0.86718E+04 210 nontronite-H -1.20 -6.06 -4.86 -0.326 0.11056E+05 211 nontronite-K -0.27 -4.60 -4.34 -0.278 0.98668E+04 212 nontronite-Mg -1.04 -5.07 -4.02 -0.261 0.91492E+04 213 nontronite-Na -0.20 -4.31 -4.11 -0.264 0.93488E+04 229 tobermorite 8.35 4.91 -3.44 -0.940 0.78369E+04 235 alabandite -2.73 -6.47 -3.74 -1.247 0.85097E+04 240 boehmite -0.03 -2.16 -2.13 -0.355 0.48514E+04 242 chalcopyrite -24.65 -25.25 -0.61 -0.113 0.13767E+04 245 copper,native -1.25 -4.74 -3.49 -1.214 0.79377E+04 246 dolomite,disordered -2.80 -4.81 -2.01 -0.335 0.45662E+04 247 ferrous-oxide 6.03 2.88 -3.15 -0.788 0.71743E+04 248 fluorite -11.12 -12.59 -1.48 -0.493 0.33623E+04 257 silica-amorphous -1.72 -2.29 -0.56 -0.187 0.12788E+04 260 sphalerite -10.02 -10.71 -0.70 -0.232 0.15840E+04 261 wurtzite -8.65 -10.71 -2.07 -0.690 0.47068E+04 263 an20ab80 -2.54 -3.04 -0.50 -0.038 0.11369E+04 264 an25ab75 -2.32 -2.86 -0.54 -0.042 0.12280E+04 265 an30ab70 -2.10 -2.69 -0.59 -0.045 0.13327E+04 266 tr.625ac.25prg.125 25.86 24.74 -1.12 -0.030 0.25495E+04 271 FeS-amorphous -3.93 -7.46 -3.53 -1.178 0.80394E+04 Calculations done for 224.0000 Deg. C; 25.1786 bar Enthalpies: Pure water 4.1450 kcal/mole H2O,gas 12.0754 kcal/mole CO2,gas 2.8134 kcal/mole CH4,gas 2.7262 kcal/mole Current solution 196.7251 Gas 99.8055 kcal Total current enthalpy 296.5306 kcal Starting enthalpy 296.5306 kcal Temperature changed by -2.000 degrees to 222.000 degrees C. Solids and gases carried ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ Test file for CHIM-XPT. Boil Broadlands Water Water similar to Broadlands Well No. 2 CHIMRUN demo-2a ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ Number of loops used = 13 Loop limit = 200 Temperature = 222.00 C Pressure = 24.23 bar Mixer fraction = 0.0000000 Total current enthalpy = 296.5306 KCAL Water: Moles liquid = 0.4723E+02 kg liquid = 0.8508E+00 Moles total = 0.5551E+02 kg total = 0.1000E+01 Activity = 0.9999 Stoichiometric ionic strength = .4160618E-01 Osmotic coef. = 0.9090 True ionic strength = .3807740E-01 Chg. balance for total moles = 0.2402E-07 Max. difference allowed = 0.3072E-05 Log Log Log Species(n) Molality Molality Activity Activity Gamma Gamma 1 H+ 0.16545E-06 -6.7813 0.12095E-06 -6.9174 0.73101E+00 -0.1361 2 H2O 0.99991E+00 -0.0000 0.99991E+00 -0.0000 3 Cl- 0.34988E-01 -1.4561 0.25239E-01 -1.5979 0.72136E+00 -0.1418 4 SO4-- 0.15634E-06 -6.8059 0.46229E-07 -7.3351 0.29569E+00 -0.5292 5 HCO3- 0.21349E-02 -2.6706 0.15490E-02 -2.8100 0.72556E+00 -0.1393 6 HS- 0.50898E-03 -3.2933 0.36738E-03 -3.4349 0.72180E+00 -0.1416 7 H4SiO4 0.50685E-02 -2.2951 0.50685E-02 -2.2951 0.10000E+01 0.0000 8 Al+++ 0.22133E-21 -21.6550 0.13996E-22 -22.8540 0.63235E-01 -1.1990 9 Ca++ 0.23702E-04 -4.6252 0.68558E-05 -5.1639 0.28925E+00 -0.5387 10 Mg++ 0.55147E-07 -7.2585 0.15690E-07 -7.8044 0.28451E+00 -0.5459 11 Fe++ 0.38939E-10 -10.4096 0.11124E-10 -10.9537 0.28567E+00 -0.5441 12 K+ 0.43454E-02 -2.3620 0.31577E-02 -2.5006 0.72668E+00 -0.1387 13 Na+ 0.33643E-01 -1.4731 0.24275E-01 -1.6148 0.72156E+00 -0.1417 14 Mn++ 0.42003E-09 -9.3767 0.12036E-09 -9.9195 0.28654E+00 -0.5428 15 Zn++ 0.24887E-13 -13.6040 0.71095E-14 -14.1482 0.28567E+00 -0.5441 16 Cu+ 0.12563E-12 -12.9009 0.90633E-13 -13.0427 0.72142E+00 -0.1418 17 Pb++ 0.64225E-13 -13.1923 0.18766E-13 -13.7266 0.29219E+00 -0.5343 18 Hg++ 0.18287E-34 -34.7379 0.53178E-35 -35.2743 0.29080E+00 -0.5364 19 F- 0.27611E-03 -3.5589 0.19705E-03 -3.7054 0.71368E+00 -0.1465 21 HSiO3- 0.67102E-04 -4.1733 0.48405E-04 -4.3151 0.72136E+00 -0.1418 22 Ca(HSiO3)+ 0.14076E-06 -6.8515 0.10236E-06 -6.9899 0.72723E+00 -0.1383 23 Mg(HSiO3)+ 0.24829E-09 -9.6050 0.18056E-09 -9.7434 0.72723E+00 -0.1383 24 NaHSiO3,aq 0.13213E-04 -4.8790 0.13213E-04 -4.8790 0.10000E+01 0.0000 27 HAlO2,aq 0.78338E-08 -8.1060 0.78338E-08 -8.1060 0.10000E+01 0.0000 28 AlO2- 0.25678E-05 -5.5904 0.18356E-05 -5.7362 0.71487E+00 -0.1458 29 CH4,aq 0.14448E-04 -4.8402 0.14266E-04 -4.8457 0.98737E+00 -0.0055 34 CO,aq 0.51982E-08 -8.2841 0.51982E-08 -8.2841 0.10000E+01 0.0000 35 CO2,aq 0.43372E-02 -2.3628 0.42824E-02 -2.3683 0.98737E+00 -0.0055 36 CO3-2 0.10362E-05 -5.9846 0.30423E-06 -6.5168 0.29361E+00 -0.5322 37 CaCO3,aq 0.12112E-05 -5.9168 0.12112E-05 -5.9168 0.10000E+01 0.0000 38 Ca(HCO3)+ 0.65356E-05 -5.1847 0.47529E-05 -5.3230 0.72723E+00 -0.1383 39 CaCl+ 0.74524E-05 -5.1277 0.54196E-05 -5.2660 0.72723E+00 -0.1383 40 CaCl2,aq 0.74474E-07 -7.1280 0.74474E-07 -7.1280 0.10000E+01 0.0000 41 CaF+ 0.58372E-06 -6.2338 0.42449E-06 -6.3721 0.72723E+00 -0.1383 42 CaOH+ 0.21571E-05 -5.6661 0.15687E-05 -5.8045 0.72723E+00 -0.1383 43 CaSO4,aq 0.16502E-08 -8.7825 0.16502E-08 -8.7825 0.10000E+01 0.0000 44 HCl,aq 0.35855E-08 -8.4455 0.35855E-08 -8.4455 0.10000E+01 0.0000 53 CuCl,aq 0.16894E-10 -10.7723 0.16894E-10 -10.7723 0.10000E+01 0.0000 54 CuCl2- 0.12034E-10 -10.9196 0.86806E-11 -11.0614 0.72136E+00 -0.1418 61 HF,aq 0.30266E-05 -5.5190 0.30266E-05 -5.5190 0.10000E+01 0.0000 62 HF2- 0.26051E-09 -9.5842 0.18792E-09 -9.7260 0.72136E+00 -0.1418 69 FeO,aq 0.21633E-09 -9.6649 0.21633E-09 -9.6649 0.10000E+01 0.0000 70 FeOH+ 0.26738E-09 -9.5729 0.19445E-09 -9.7112 0.72723E+00 -0.1383 71 HFeO2- 0.92134E-10 -10.0356 0.66461E-10 -10.1774 0.72136E+00 -0.1418 74 FeO2- 0.78147E-10 -10.1071 0.56372E-10 -10.2489 0.72136E+00 -0.1418 75 HFeO2,aq 0.28899E-10 -10.5391 0.28899E-10 -10.5391 0.10000E+01 0.0000 76 H2,aq 0.30052E-04 -4.5221 0.29673E-04 -4.5276 0.98737E+00 -0.0055 77 Hg,aq 0.62523E-10 -10.2040 0.61734E-10 -10.2095 0.98737E+00 -0.0055 90 KCl,aq 0.21456E-04 -4.6684 0.21456E-04 -4.6684 0.10000E+01 0.0000 92 KOH,aq 0.43185E-06 -6.3647 0.43185E-06 -6.3647 0.10000E+01 0.0000 93 KSO4- 0.26975E-07 -7.5690 0.19458E-07 -7.7109 0.72136E+00 -0.1418 94 MgCO3,aq 0.34897E-09 -9.4572 0.34897E-09 -9.4572 0.10000E+01 0.0000 95 Mg(HCO3)+ 0.14084E-07 -7.8513 0.10242E-07 -7.9896 0.72723E+00 -0.1383 96 MgCl+ 0.90820E-08 -8.0418 0.66047E-08 -8.1801 0.72723E+00 -0.1383 97 MgF+ 0.38054E-08 -8.4196 0.27674E-08 -8.5579 0.72723E+00 -0.1383 98 MgOH+ 0.16107E-07 -7.7930 0.11713E-07 -7.9313 0.72723E+00 -0.1383 101 MnO,aq 0.70538E-10 -10.1516 0.70538E-10 -10.1516 0.10000E+01 0.0000 102 MnOH+ 0.40741E-09 -9.3900 0.29628E-09 -9.5283 0.72723E+00 -0.1383 107 MnCl+ 0.13810E-08 -8.8598 0.10043E-08 -8.9981 0.72723E+00 -0.1383 109 NaCl,aq 0.10905E-02 -2.9624 0.10905E-02 -2.9624 0.10000E+01 0.0000 110 NaF,aq 0.68531E-05 -5.1641 0.68531E-05 -5.1641 0.10000E+01 0.0000 111 NaOH,aq 0.22319E-05 -5.6513 0.22319E-05 -5.6513 0.10000E+01 0.0000 113 OH- 0.72220E-04 -4.1413 0.51628E-04 -4.2871 0.71487E+00 -0.1458 122 PbO,aq 0.15295E-10 -10.8155 0.15295E-10 -10.8155 0.10000E+01 0.0000 124 Pb(HS)2,aq 0.94505E-08 -8.0245 0.94505E-08 -8.0245 0.10000E+01 0.0000 125 Pb(HS)3- 0.13750E-09 -9.8617 0.99186E-10 -10.0035 0.72136E+00 -0.1418 126 H2S,aq 0.41103E-03 -3.3861 0.40583E-03 -3.3917 0.98737E+00 -0.0055 127 S2-2 0.13273E-09 -9.8770 0.38972E-10 -10.4093 0.29361E+00 -0.5322 134 HSO3- 0.11124E-10 -10.9538 0.80241E-11 -11.0956 0.72136E+00 -0.1418 135 HSO4- 0.49367E-09 -9.3066 0.36001E-09 -9.4437 0.72926E+00 -0.1371 153 ZnO,aq 0.14094E-10 -10.8510 0.14094E-10 -10.8510 0.10000E+01 0.0000 154 ZnOH+ 0.17481E-09 -9.7574 0.12712E-09 -9.8958 0.72723E+00 -0.1383 164 Cu(HS)2- 0.54885E-07 -7.2605 0.39592E-07 -7.4024 0.72136E+00 -0.1418 166 CuH4S3-b 0.10575E-09 -9.9757 0.76285E-10 -10.1176 0.72136E+00 -0.1418 179 MgSO4,aq 0.12761E-10 -10.8941 0.12761E-10 -10.8941 0.10000E+01 0.0000 180 MnCl2,aq 0.52402E-09 -9.2807 0.52402E-09 -9.2807 0.10000E+01 0.0000 181 MnCl3- 0.88386E-10 -10.0536 0.63758E-10 -10.1955 0.72136E+00 -0.1418 182 MnCO3,aq 0.29047E-09 -9.5369 0.29047E-09 -9.5369 0.10000E+01 0.0000 183 NaCO3- 0.54054E-06 -6.2672 0.38992E-06 -6.4090 0.72136E+00 -0.1418 184 NaHCO3,aq 0.59318E-04 -4.2268 0.59318E-04 -4.2268 0.10000E+01 0.0000 185 NaHS,aq 0.14069E-04 -4.8517 0.14069E-04 -4.8517 0.10000E+01 0.0000 186 NaSO4- 0.49247E-07 -7.3076 0.35524E-07 -7.4495 0.72136E+00 -0.1418 187 PbCO3,aq 0.40401E-09 -9.3936 0.40401E-09 -9.3936 0.10000E+01 0.0000 188 PbOH+ 0.57580E-10 -10.2397 0.41874E-10 -10.3781 0.72723E+00 -0.1383 193 Zn(HS)2,aq 0.17423E-07 -7.7589 0.17423E-07 -7.7589 0.10000E+01 0.0000 194 Zn(HS)3- 0.36315E-09 -9.4399 0.26196E-09 -9.5818 0.72136E+00 -0.1418 Charge balance for all species = 0.2823E-07 Component Molality Aq.molality ppm log[A(N)/A(H+)**Z] (total) 1 H+ 0.1654503E-06 0.4573337E-02 0.4595365E+01 0.0000 2 H2O 0.1000000E+01 0.5550396E+02 0.9968221E+06 0.0000 3 Cl- 0.3498753E-01 0.3610710E-01 0.1276138E+04 5.3195 4 SO4-- 0.1563431E-06 -.2172792E-04 -.2080751E+01 6.4997 5 HCO3- 0.2134872E-02 0.6555204E-02 0.3987408E+03 4.1074 6 HS- 0.5089807E-03 0.9562045E-03 0.3152560E+02 3.4825 7 H4SiO4 0.5068490E-02 0.5148946E-02 0.4933595E+03 -2.2951 8 Al+++ 0.2213270E-21 0.2575640E-05 0.6927928E-01 -2.1018 9 Ca++ 0.2370220E-04 0.4185909E-04 0.1672430E+01 8.6709 10 Mg++ 0.5514652E-07 0.9883476E-07 0.2395425E-02 6.0304 11 Fe++ 0.3893870E-10 0.7318678E-09 0.4074597E-04 2.8811 12 K+ 0.4345351E-02 0.4367266E-02 0.1702397E+03 4.4168 13 Na+ 0.3364252E-01 0.3482929E-01 0.7982373E+03 5.3026 14 Mn++ 0.4200339E-09 0.3189322E-08 0.1746721E-03 3.9153 15 Zn++ 0.2488681E-13 0.1798293E-07 0.1171902E-02 -0.3133 16 Cu+ 0.1256316E-12 0.5502163E-07 0.3485241E-02 -6.1253 17 Pb++ 0.6422508E-13 0.1007055E-07 0.2080052E-02 0.1082 18 Hg++ 0.1828703E-34 0.6298879E-10 0.1259577E-04 -21.4395 19 F- 0.2761100E-03 0.2865778E-03 0.5427535E+01 3.2120 Component Tot moles Aq. moles Solid moles Gas moles 1 H+ 0.1822172E+00 0.3891026E-02 -.5099448E-06 0.1783267E+00 2 H2O 0.5550825E+02 0.4722315E+02 -.6948802E-02 0.8292053E+01 3 Cl- 0.3072017E-01 0.3072017E-01 0.0000000E+00 0.6556300E-09 4 SO4-- -.4257700E-02 -.1848626E-04 0.3890330E-09 -.4239214E-02 5 HCO3- 0.1832100E+00 0.5577212E-02 0.0000000E+00 0.1776328E+00 6 HS- 0.9985820E-02 0.8135453E-03 0.1459193E-07 0.9172260E-02 7 H4SiO4 0.7855346E-02 0.4380759E-02 0.3474587E-02 0.0000000E+00 8 Al+++ 0.2253680E-05 0.2191372E-05 0.6230814E-07 0.0000000E+00 9 Ca++ 0.3561400E-04 0.3561400E-04 0.0000000E+00 0.0000000E+00 10 Mg++ 0.2355503E-06 0.8408929E-07 0.1514610E-06 0.0000000E+00 11 Fe++ 0.8017372E-08 0.6226781E-09 0.7394694E-08 0.0000000E+00 12 K+ 0.3715700E-02 0.3715700E-02 0.0000000E+00 0.0000000E+00 13 Na+ 0.2963300E-01 0.2963300E-01 0.0000000E+00 0.0000000E+00 14 Mn++ 0.2740424E-08 0.2713497E-08 0.2692623E-10 0.0000000E+00 15 Zn++ 0.1530000E-07 0.1530000E-07 0.0000000E+00 0.0000000E+00 16 Cu+ 0.6237410E-07 0.4681278E-07 0.1556132E-07 0.0000000E+00 17 Pb++ 0.1110000E-07 0.8568095E-08 0.2531905E-08 0.0000000E+00 18 Hg++ 0.4000000E-08 0.5359129E-10 0.0000000E+00 0.3946409E-08 19 F- 0.2439100E-03 0.2438224E-03 0.0000000E+00 0.8760781E-07 Chg. balance for solid moles: -.1256E-16 Mass of aqueous solution: 0.853451E+03 g Temperature = 222.00 C Pressure = 24.23 bar Mixer frac. = 0.0000000 Log Log Vol Gas or mineral Moles Moles Grams Grams Wt.% (cm3) H2O,gas 8.458 0.927 152.3 2.183 95.06 0.1255E+05 CO2,gas 0.1748 -0.757 7.693 0.886 4.800 309.7 CH4,gas 0.2835E-02 -2.547 0.4547E-01 -1.342 0.2838E-01 5.398 H2,gas 0.5616E-02 -2.251 0.1134E-01 -1.945 0.7079E-02 9.633 H2S,gas 0.4933E-02 -2.307 0.1681 -0.774 0.1049 8.040 CO,gas 0.8833E-06 -6.054 0.2474E-04 -4.607 0.1544E-04 0.1501E-02 SO2,gas 0.1030E-12 -12.987 0.6601E-11 -11.180 0.4119E-11 0.1750E-09 HF,gas 0.8761E-07 -7.057 0.1752E-05 -5.756 0.1093E-05 0.1488E-03 HCl,gas 0.6556E-09 -9.183 0.2390E-07 -7.622 0.1492E-07 0.1114E-05 Hg,gas 0.3946E-08 -8.404 0.7916E-06 -6.101 0.4940E-06 0.6704E-05 clinochlore 0.3029E-07 -7.519 0.1684E-04 -4.774 0.8065E-02 0.6404E-05 daphnite 0.8565E-09 -9.067 0.6111E-06 -6.214 0.2927E-03 0.1852E-06 chlorite-Mn 0.5385E-11 -11.269 0.3818E-08 -8.418 0.1829E-05 0.1217E-08 quartz 0.3474E-02 -2.459 0.2087 -0.680 99.99 0.7883E-01 bornite 0.3112E-08 -8.507 0.1562E-05 -5.806 0.7481E-03 0.3072E-06 galena 0.2532E-08 -8.597 0.6058E-06 -6.218 0.2902E-03 0.7973E-07 Partial press. Fugacity coef Log fugacity Gas or Mineral Mole fraction or activity Activity coef Log activity H2O,gas 0.9782E+00 0.2371E+02 0.8899 1.324 CO2,gas 0.2022E-01 0.4899E+00 1.0115 -0.305 CH4,gas 0.3279E-03 0.7945E-02 1.1079 -2.055 H2,gas 0.6495E-03 0.1574E-01 1.0098 -1.799 H2S,gas 0.5705E-03 0.1383E-01 0.9595 -1.877 CO,gas 0.1022E-06 0.2476E-05 1.0000 -5.606 SO2,gas 0.1192E-13 0.2888E-12 1.0000 -12.539 HF,gas 0.1013E-07 0.2455E-06 1.0000 -6.610 HCl,gas 0.7583E-10 0.1837E-08 1.0000 -8.736 Hg,gas 0.4564E-09 0.1106E-07 1.0000 -7.956 clinochlore 0.9723E+00 0.9723E+00 1.0000 -0.012 daphnite 0.2749E-01 0.2749E-01 1.0000 -1.561 chlorite-Mn 0.1729E-03 0.1729E-03 1.0000 -3.762 quartz 0.1000E+01 0.1000E+01 1.0000 0.000 bornite 0.1000E+01 0.1000E+01 1.0000 0.000 galena 0.1000E+01 0.1000E+01 1.0000 0.000 Current weight percent of gas: 15.805443 % Solid products produced: Mass = 0.208767 g Volume = 0.078839 cm3 WARNING: mineral volume may be in error because some mineral densities were not supplied in SOLTHERM. See mineral list in file Skip_Species.txt. NON-Ideal mixing with H2O, CO2, CH4 Gases ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ The following gases and minerals are presently in matrix or were just added Gas or Mineral Log K Log Q Log(Q/K) Log(Q/K)/S Affinity Log Fugacity 1 H2O,gas 0.06 0.06 -0.00 -0.000 0.22793E-09 2 CO2,gas -8.04 -8.04 0.00 0.000 -0.76470E-10 3 CH4,gas 4.53 4.53 0.00 0.000 -0.21532E-09 4 H2,gas 5.89 5.89 0.00 0.000 -0.16099E-10 5 H2S,gas -7.09 -7.09 -0.00 -0.000 0.72445E-10 6 CO,gas -0.03 -0.03 -0.00 -0.000 0.25155E-11 7 SO2,gas -4.54 -4.54 -0.00 -0.000 0.40247E-11 8 HF,gas -2.63 -2.63 -0.00 -0.000 0.50309E-11 9 HCl,gas 1.60 1.60 -0.00 -0.000 0.10062E-11 10 Hg,gas -9.39 -9.39 0.00 0.000 -0.80495E-11 43 clinochlore 19.12 19.12 0.00 0.000 -0.16099E-10 44 daphnite 11.12 11.12 0.00 0.000 0.00000E+00 45 chlorite-Mn 27.30 27.30 -0.00 -0.000 0.40247E-10 146 quartz -2.30 -2.30 0.00 0.000 0.00000E+00 198 bornite -70.51 -70.51 -0.00 -0.000 0.64396E-10 249 galena -10.24 -10.24 0.00 0.000 0.00000E+00 The following gases and minerals are presently EXCLUDED from matrix (Gases and minerals with log(Q/K) less than -5 are not listed below) Gas or Mineral Log K Log Q Log(Q/K) Log(Q/K)/S Affinity Log Fugacity 11 acmite 5.34 2.24 -3.10 -0.322 0.70256E+04 15 albite-high -2.65 -3.68 -1.03 -0.079 0.23402E+04 16 albite -3.25 -3.68 -0.44 -0.034 0.99501E+03 20 analcite -0.22 -1.39 -1.16 -0.129 0.26387E+04 21 andalusite -3.33 -6.50 -3.17 -0.317 0.71758E+04 22 andradite 25.74 22.19 -3.55 -0.185 0.80518E+04 23 grossular 16.81 14.92 -1.89 -0.094 0.42711E+04 24 anhydrite -7.76 -12.50 -4.74 -2.370 0.10738E+05 25 ankerite -5.23 -7.90 -2.67 -0.445 0.60532E+04 27 phlogopite 14.91 13.52 -1.39 -0.077 0.31382E+04 29 anorthite 1.68 -0.12 -1.80 -0.139 0.40802E+04 32 aragonite -0.72 -1.06 -0.33 -0.111 0.75718E+03 33 brucite 8.88 6.03 -2.85 -0.571 0.64653E+04 34 calcite -0.88 -1.06 -0.18 -0.060 0.41025E+03 35 carnegieite-low 4.00 0.91 -3.09 -0.441 0.69996E+04 36 carnegieite-high 4.60 0.91 -3.69 -0.528 0.83713E+04 37 carpholite-Mg -0.48 -2.76 -2.29 -0.152 0.51794E+04 38 carpholite-Fe -1.97 -5.91 -3.95 -0.263 0.89389E+04 39 celadonite 1.11 -0.83 -1.94 -0.114 0.44018E+04 40 celadonite-Fe -0.19 -3.98 -3.79 -0.223 0.85871E+04 41 chrysotile 15.80 13.50 -2.30 -0.192 0.52072E+04 46 chlorite-Al-free 31.26 27.00 -4.26 -0.177 0.96484E+04 47 chloritoid-Mg 2.46 -0.47 -2.92 -0.195 0.66250E+04 48 chloritoid-Fe -0.52 -3.62 -3.10 -0.207 0.70209E+04 49 chloritoid-Mn 1.69 -2.58 -4.27 -0.285 0.96856E+04 51 coesite -1.81 -2.30 -0.48 -0.161 0.10934E+04 56 corundum -0.74 -4.20 -3.47 -0.315 0.78571E+04 58 cristobalite -2.05 -2.30 -0.24 -0.081 0.54864E+03 61 cymrite-K -1.21 -4.57 -3.36 -0.280 0.76235E+04 63 diaspore -0.92 -2.10 -1.18 -0.197 0.26816E+04 64 diamond -1.98 -4.32 -2.33 -0.667 0.52901E+04 65 diopside 10.62 10.11 -0.51 -0.051 0.11480E+04 66 hedenbergite 9.03 6.96 -2.06 -0.206 0.46787E+04 67 dolomite,ordered -3.11 -4.75 -1.64 -0.274 0.37204E+04 68 eastonite 10.03 5.58 -4.45 -0.171 0.10074E+05 69 enstatite 10.64 7.47 -3.17 -0.317 0.71815E+04 70 clinoenstatite-HiP 11.47 7.47 -4.00 -0.400 0.90638E+04 71 clinoenstatite 10.57 7.47 -3.10 -0.310 0.70214E+04 72 protoenstatite 11.00 7.47 -3.53 -0.353 0.80029E+04 73 epidote 9.65 7.78 -1.87 -0.091 0.42330E+04 74 clinozoisite 5.98 4.15 -1.83 -0.083 0.41477E+04 75 epidote-Fe 15.86 11.41 -4.45 -0.231 0.10083E+05 76 fayalite 8.11 3.47 -4.64 -0.663 0.10516E+05 77 ferrosilite 5.92 1.17 -4.75 -0.475 0.10765E+05 78 forsterite 13.47 9.77 -3.70 -0.529 0.83908E+04 81 gibbsite 0.41 -2.10 -2.51 -0.358 0.56838E+04 82 glaucophane 9.55 6.13 -3.42 -0.092 0.77473E+04 84 goethite 3.86 1.53 -2.34 -0.505 0.52910E+04 85 graphite -2.37 -4.32 -1.95 -0.557 0.44133E+04 88 halite 1.12 -3.21 -4.33 -2.164 0.98070E+04 89 hematite 6.93 3.06 -3.88 -0.470 0.87829E+04 90 heulandite -11.11 -11.60 -0.49 -0.022 0.11068E+04 94 jadeite 0.68 -1.39 -2.07 -0.207 0.46790E+04 96 kalsilite 3.08 0.02 -3.06 -0.437 0.69329E+04 97 kaolinite -6.80 -8.79 -2.00 -0.181 0.45211E+04 98 kyanite -3.30 -6.50 -3.20 -0.320 0.72402E+04 100 laumontite -3.99 -4.71 -0.72 -0.048 0.16379E+04 101 lawsonite 1.15 -0.12 -1.27 -0.085 0.28883E+04 102 leucite 0.18 -2.28 -2.46 -0.246 0.55645E+04 104 lizardite 15.48 13.50 -1.98 -0.165 0.44787E+04 105 magnesite -1.54 -3.70 -2.15 -0.718 0.48775E+04 108 minnesotaite-Mg 12.68 8.91 -3.77 -0.222 0.85435E+04 112 margarite -0.98 -4.33 -3.35 -0.134 0.75807E+04 115 microcline -4.52 -4.57 -0.05 -0.004 0.10455E+03 116 monticellite 16.71 12.41 -4.30 -0.615 0.97505E+04 118 mullite-Si -1.74 -6.50 -4.76 -0.476 0.10784E+05 119 muscovite -7.05 -8.77 -1.72 -0.101 0.39018E+04 120 paragonite -6.00 -7.89 -1.89 -0.111 0.42845E+04 121 nepheline 3.45 0.91 -2.54 -0.363 0.57649E+04 126 periclase 11.00 6.03 -4.97 -1.243 0.11263E+05 127 periclase-Fe 7.50 2.88 -4.61 -1.154 0.10454E+05 133 phlogopite-Na 16.56 14.41 -2.15 -0.120 0.48778E+04 135 prehnite 7.19 6.25 -0.94 -0.055 0.21218E+04 136 prehnite-Fe 11.69 9.88 -1.80 -0.108 0.40859E+04 137 pumpellyite-Fe 17.01 13.28 -3.73 -0.083 0.84481E+04 138 pumpellyite-Mg 19.11 16.43 -2.68 -0.060 0.60677E+04 140 px-Ca-tschermaks 6.49 2.17 -4.31 -0.308 0.97752E+04 141 pyrite -19.51 -20.53 -1.01 -0.239 0.22981E+04 142 pyrrhotite -5.52 -7.47 -1.95 -0.651 0.44278E+04 143 pyrrhotiteFe0.875 -6.75 -8.17 -1.42 -0.521 0.32087E+04 144 pyroxmangite 4.83 1.62 -3.21 -0.642 0.72744E+04 145 pyrophyllite -11.10 -13.38 -2.28 -0.143 0.51748E+04 151 rhodochrosite -2.34 -5.81 -3.47 -1.156 0.78601E+04 152 rhodonite 4.85 1.62 -3.23 -0.646 0.73189E+04 153 sanidine -3.61 -4.57 -0.96 -0.074 0.21719E+04 155 siderite -4.07 -6.85 -2.78 -0.926 0.62911E+04 156 sillimanite -3.17 -6.50 -3.33 -0.333 0.75424E+04 163 stilbite -10.41 -11.60 -1.19 -0.057 0.26912E+04 165 stilpnomelane-Mg 10.63 9.80 -0.84 -0.025 0.18955E+04 166 stishovite 2.23 -2.30 -4.52 -1.508 0.10252E+05 168 sudoite 1.66 -3.23 -4.89 -0.158 0.11076E+05 169 sulfur -8.69 -13.06 -4.37 -1.344 0.98953E+04 171 talc 9.65 8.91 -0.74 -0.043 0.16702E+04 173 talc-tschermaks 5.56 0.97 -4.58 -0.270 0.10386E+05 178 topaz-H -2.65 -6.50 -3.85 -0.350 0.87287E+04 179 tridymite -2.08 -2.30 -0.21 -0.071 0.48475E+03 180 tremolite 30.04 29.13 -0.91 -0.025 0.20585E+04 182 troilite-low -5.56 -7.47 -1.91 -0.637 0.43301E+04 188 wairakite -4.17 -4.71 -0.54 -0.032 0.12314E+04 189 walstromite 8.19 6.38 -1.82 -0.364 0.41197E+04 190 wollastonite 7.42 6.38 -1.04 -0.208 0.23592E+04 191 pseudo-wollastonite 7.76 6.38 -1.39 -0.277 0.31399E+04 192 zoisite 6.02 4.15 -1.87 -0.085 0.42329E+04 193 beidellite-Ca -8.97 -11.89 -2.92 -0.181 0.66185E+04 194 beidellite-H -9.35 -13.32 -3.97 -0.254 0.90054E+04 195 beidellite-K -8.42 -11.86 -3.44 -0.211 0.78010E+04 196 beidellite-Mg -9.20 -12.33 -3.13 -0.194 0.70899E+04 197 beidellite-Na -8.36 -11.57 -3.21 -0.197 0.72828E+04 200 chalcedony -2.15 -2.30 -0.14 -0.047 0.32125E+03 201 chalcocite -21.21 -22.60 -1.39 -0.348 0.31496E+04 202 covellite -15.82 -17.83 -2.01 -0.764 0.45450E+04 204 montmorillonite-Ca -7.54 -9.27 -1.73 -0.107 0.39238E+04 205 montmorillonite-K -7.10 -9.24 -2.14 -0.131 0.48465E+04 206 montmorillonite-Mg -7.79 -9.71 -1.91 -0.118 0.43358E+04 207 montmorillonite-Na -6.96 -8.95 -1.99 -0.122 0.44995E+04 209 nontronite-Ca -0.76 -4.63 -3.86 -0.251 0.87531E+04 210 nontronite-H -1.15 -6.06 -4.91 -0.329 0.11131E+05 211 nontronite-K -0.22 -4.60 -4.38 -0.281 0.99338E+04 212 nontronite-Mg -0.99 -5.06 -4.07 -0.264 0.92317E+04 213 nontronite-Na -0.15 -4.31 -4.16 -0.267 0.94198E+04 229 tobermorite 8.37 4.93 -3.44 -0.939 0.77987E+04 235 alabandite -2.70 -6.44 -3.74 -1.245 0.84646E+04 240 boehmite 0.03 -2.10 -2.13 -0.355 0.48289E+04 242 chalcopyrite -24.68 -25.30 -0.62 -0.116 0.14123E+04 245 copper,native -1.27 -4.77 -3.50 -1.217 0.79281E+04 246 dolomite,disordered -2.73 -4.75 -2.02 -0.337 0.45747E+04 247 ferrous-oxide 6.08 2.88 -3.20 -0.800 0.72502E+04 248 fluorite -11.09 -12.57 -1.49 -0.496 0.33708E+04 257 silica-amorphous -1.73 -2.30 -0.57 -0.189 0.12834E+04 260 sphalerite -10.01 -10.67 -0.65 -0.217 0.14779E+04 261 wurtzite -8.64 -10.67 -2.03 -0.677 0.46007E+04 263 an20ab80 -2.48 -2.97 -0.49 -0.038 0.11195E+04 264 an25ab75 -2.26 -2.79 -0.54 -0.041 0.12126E+04 265 an30ab70 -2.03 -2.62 -0.58 -0.045 0.13188E+04 266 tr.625ac.25prg.125 26.10 24.89 -1.21 -0.033 0.27498E+04 271 FeS-amorphous -3.91 -7.47 -3.56 -1.186 0.80610E+04 Calculations done for 222.0000 Deg. C; 24.2328 bar Enthalpies: Pure water 4.1056 kcal/mole H2O,gas 12.0759 kcal/mole CO2,gas 2.7689 kcal/mole CH4,gas 2.6831 kcal/mole Current solution 193.8958 Gas 102.6347 kcal Total current enthalpy 296.5306 kcal Starting enthalpy 296.5306 kcal Temperature changed by -2.000 degrees to 220.000 degrees C. Solids and gases carried ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ Test file for CHIM-XPT. Boil Broadlands Water Water similar to Broadlands Well No. 2 CHIMRUN demo-2a ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ Number of loops used = 12 Loop limit = 200 Temperature = 220.00 C Pressure = 23.31 bar Mixer fraction = 0.0000000 Total current enthalpy = 296.5306 KCAL Water: Moles liquid = 0.4700E+02 kg liquid = 0.8466E+00 Moles total = 0.5551E+02 kg total = 0.1000E+01 Activity = 0.9999 Stoichiometric ionic strength = .4164018E-01 Osmotic coef. = 0.9096 True ionic strength = .3829475E-01 Chg. balance for total moles = 0.2402E-07 Max. difference allowed = 0.3072E-05 Log Log Log Species(n) Molality Molality Activity Activity Gamma Gamma 1 H+ 0.16102E-06 -6.7931 0.11789E-06 -6.9285 0.73212E+00 -0.1354 2 H2O 0.99992E+00 -0.0000 0.99992E+00 -0.0000 3 Cl- 0.35188E-01 -1.4536 0.25424E-01 -1.5948 0.72251E+00 -0.1412 4 SO4-- 0.16999E-06 -6.7696 0.50563E-07 -7.2962 0.29746E+00 -0.5266 5 HCO3- 0.21488E-02 -2.6678 0.15615E-02 -2.8065 0.72669E+00 -0.1387 6 HS- 0.50750E-03 -3.2946 0.36690E-03 -3.4354 0.72296E+00 -0.1409 7 H4SiO4 0.49670E-02 -2.3039 0.49670E-02 -2.3039 0.10000E+01 0.0000 8 Al+++ 0.23204E-21 -21.6344 0.14874E-22 -22.8276 0.64101E-01 -1.1931 9 Ca++ 0.24259E-04 -4.6151 0.70596E-05 -5.1512 0.29101E+00 -0.5361 10 Mg++ 0.56226E-07 -7.2501 0.16096E-07 -7.7933 0.28628E+00 -0.5432 11 Fe++ 0.36799E-10 -10.4342 0.10578E-10 -10.9756 0.28744E+00 -0.5415 12 K+ 0.43676E-02 -2.3598 0.31787E-02 -2.4977 0.72780E+00 -0.1380 13 Na+ 0.33836E-01 -1.4706 0.24454E-01 -1.6117 0.72271E+00 -0.1410 14 Mn++ 0.44103E-09 -9.3555 0.12715E-09 -9.8957 0.28830E+00 -0.5401 15 Zn++ 0.26997E-13 -13.5687 0.77600E-14 -14.1101 0.28744E+00 -0.5415 16 Cu+ 0.11408E-12 -12.9428 0.82429E-13 -13.0839 0.72257E+00 -0.1411 17 Pb++ 0.60323E-13 -13.2195 0.17732E-13 -13.7512 0.29396E+00 -0.5317 18 Hg++ 0.15298E-34 -34.8154 0.44756E-35 -35.3491 0.29256E+00 -0.5338 19 F- 0.27789E-03 -3.5561 0.19866E-03 -3.7019 0.71489E+00 -0.1458 21 HSiO3- 0.68404E-04 -4.1649 0.49423E-04 -4.3061 0.72251E+00 -0.1412 22 Ca(HSiO3)+ 0.14014E-06 -6.8534 0.10207E-06 -6.9911 0.72835E+00 -0.1377 23 Mg(HSiO3)+ 0.24815E-09 -9.6053 0.18074E-09 -9.7430 0.72835E+00 -0.1377 24 NaHSiO3,aq 0.13472E-04 -4.8706 0.13472E-04 -4.8706 0.10000E+01 0.0000 27 HAlO2,aq 0.79135E-08 -8.1016 0.79135E-08 -8.1016 0.10000E+01 0.0000 28 AlO2- 0.25804E-05 -5.5883 0.18478E-05 -5.7334 0.71608E+00 -0.1450 29 CH4,aq 0.13202E-04 -4.8794 0.13035E-04 -4.8849 0.98734E+00 -0.0055 34 CO,aq 0.44554E-08 -8.3511 0.44554E-08 -8.3511 0.10000E+01 0.0000 35 CO2,aq 0.40416E-02 -2.3934 0.39904E-02 -2.3990 0.98734E+00 -0.0055 36 CO3-2 0.11041E-05 -5.9570 0.32613E-06 -6.4866 0.29538E+00 -0.5296 37 CaCO3,aq 0.12371E-05 -5.9076 0.12371E-05 -5.9076 0.10000E+01 0.0000 38 Ca(HCO3)+ 0.63919E-05 -5.1944 0.46555E-05 -5.3320 0.72835E+00 -0.1377 39 CaCl+ 0.72825E-05 -5.1377 0.53042E-05 -5.2754 0.72835E+00 -0.1377 40 CaCl2,aq 0.71458E-07 -7.1459 0.71458E-07 -7.1459 0.10000E+01 0.0000 41 CaF+ 0.56947E-06 -6.2445 0.41477E-06 -6.3822 0.72835E+00 -0.1377 42 CaOH+ 0.21124E-05 -5.6752 0.15385E-05 -5.8129 0.72835E+00 -0.1377 43 CaSO4,aq 0.17456E-08 -8.7581 0.17456E-08 -8.7581 0.10000E+01 0.0000 44 HCl,aq 0.33586E-08 -8.4738 0.33586E-08 -8.4738 0.10000E+01 0.0000 53 CuCl,aq 0.15259E-10 -10.8165 0.15259E-10 -10.8165 0.10000E+01 0.0000 54 CuCl2- 0.10895E-10 -10.9628 0.78718E-11 -11.1039 0.72251E+00 -0.1412 61 HF,aq 0.28227E-05 -5.5493 0.28227E-05 -5.5493 0.10000E+01 0.0000 62 HF2- 0.24545E-09 -9.6100 0.17734E-09 -9.7512 0.72251E+00 -0.1412 69 FeO,aq 0.19337E-09 -9.7136 0.19337E-09 -9.7136 0.10000E+01 0.0000 70 FeOH+ 0.24677E-09 -9.6077 0.17974E-09 -9.7454 0.72835E+00 -0.1377 71 HFeO2- 0.83922E-10 -10.0761 0.60635E-10 -10.2173 0.72251E+00 -0.1412 74 FeO2- 0.70385E-10 -10.1525 0.50854E-10 -10.2937 0.72251E+00 -0.1412 75 HFeO2,aq 0.26393E-10 -10.5785 0.26393E-10 -10.5785 0.10000E+01 0.0000 76 H2,aq 0.27744E-04 -4.5568 0.27393E-04 -4.5624 0.98734E+00 -0.0055 77 Hg,aq 0.57447E-10 -10.2407 0.56720E-10 -10.2463 0.98734E+00 -0.0055 90 KCl,aq 0.20786E-04 -4.6822 0.20786E-04 -4.6822 0.10000E+01 0.0000 92 KOH,aq 0.42928E-06 -6.3673 0.42928E-06 -6.3673 0.10000E+01 0.0000 93 KSO4- 0.28366E-07 -7.5472 0.20495E-07 -7.6884 0.72251E+00 -0.1412 94 MgCO3,aq 0.35845E-09 -9.4456 0.35845E-09 -9.4456 0.10000E+01 0.0000 95 Mg(HCO3)+ 0.13762E-07 -7.8613 0.10024E-07 -7.9990 0.72835E+00 -0.1377 96 MgCl+ 0.89146E-08 -8.0499 0.64929E-08 -8.1876 0.72835E+00 -0.1377 97 MgF+ 0.37137E-08 -8.4302 0.27049E-08 -8.5679 0.72835E+00 -0.1377 98 MgOH+ 0.15779E-07 -7.8019 0.11492E-07 -7.9396 0.72835E+00 -0.1377 101 MnO,aq 0.70160E-10 -10.1539 0.70160E-10 -10.1539 0.10000E+01 0.0000 102 MnOH+ 0.41621E-09 -9.3807 0.30314E-09 -9.5184 0.72835E+00 -0.1377 107 MnCl+ 0.13664E-08 -8.8644 0.99522E-09 -9.0021 0.72835E+00 -0.1377 109 NaCl,aq 0.10692E-02 -2.9709 0.10692E-02 -2.9709 0.10000E+01 0.0000 110 NaF,aq 0.67121E-05 -5.1731 0.67121E-05 -5.1731 0.10000E+01 0.0000 111 NaOH,aq 0.22290E-05 -5.6519 0.22290E-05 -5.6519 0.10000E+01 0.0000 113 OH- 0.73048E-04 -4.1364 0.52308E-04 -4.2814 0.71608E+00 -0.1450 122 PbO,aq 0.14147E-10 -10.8493 0.14147E-10 -10.8493 0.10000E+01 0.0000 124 Pb(HS)2,aq 0.86367E-08 -8.0637 0.86367E-08 -8.0637 0.10000E+01 0.0000 125 Pb(HS)3- 0.12284E-09 -9.9107 0.88752E-10 -10.0518 0.72251E+00 -0.1412 126 H2S,aq 0.38573E-03 -3.4137 0.38085E-03 -3.4193 0.98734E+00 -0.0055 127 S2-2 0.13111E-09 -9.8824 0.38728E-10 -10.4120 0.29538E+00 -0.5296 134 HSO3- 0.10531E-10 -10.9775 0.76085E-11 -11.1187 0.72251E+00 -0.1412 135 HSO4- 0.48889E-09 -9.3108 0.35707E-09 -9.4472 0.73037E+00 -0.1365 153 ZnO,aq 0.14624E-10 -10.8349 0.14624E-10 -10.8349 0.10000E+01 0.0000 154 ZnOH+ 0.18144E-09 -9.7413 0.13215E-09 -9.8789 0.72835E+00 -0.1377 164 Cu(HS)2- 0.53252E-07 -7.2737 0.38475E-07 -7.4148 0.72251E+00 -0.1412 166 CuH4S3-b 0.10974E-09 -9.9596 0.79289E-10 -10.1008 0.72251E+00 -0.1412 179 MgSO4,aq 0.13582E-10 -10.8670 0.13582E-10 -10.8670 0.10000E+01 0.0000 180 MnCl2,aq 0.49888E-09 -9.3020 0.49888E-09 -9.3020 0.10000E+01 0.0000 181 MnCl3- 0.84020E-10 -10.0756 0.60706E-10 -10.2168 0.72251E+00 -0.1412 182 MnCO3,aq 0.31974E-09 -9.4952 0.31974E-09 -9.4952 0.10000E+01 0.0000 183 NaCO3- 0.57329E-06 -6.2416 0.41421E-06 -6.3828 0.72251E+00 -0.1412 184 NaHCO3,aq 0.58654E-04 -4.2317 0.58654E-04 -4.2317 0.10000E+01 0.0000 185 NaHS,aq 0.13782E-04 -4.8607 0.13782E-04 -4.8607 0.10000E+01 0.0000 186 NaSO4- 0.52497E-07 -7.2799 0.37930E-07 -7.4210 0.72251E+00 -0.1412 187 PbCO3,aq 0.39777E-09 -9.4004 0.39777E-09 -9.4004 0.10000E+01 0.0000 188 PbOH+ 0.53323E-10 -10.2731 0.38838E-10 -10.4107 0.72835E+00 -0.1377 193 Zn(HS)2,aq 0.17497E-07 -7.7570 0.17497E-07 -7.7570 0.10000E+01 0.0000 194 Zn(HS)3- 0.37040E-09 -9.4313 0.26762E-09 -9.5725 0.72251E+00 -0.1412 Charge balance for all species = 0.2837E-07 Component Molality Aq.molality ppm log[A(N)/A(H+)**Z] (total) 1 H+ 0.1610247E-06 0.4250270E-02 0.4270792E+01 0.0000 2 H2O 0.1000000E+01 0.5550425E+02 0.9968389E+06 0.0000 3 Cl- 0.3518764E-01 0.3628508E-01 0.1282444E+04 5.3338 4 SO4-- 0.1699852E-06 -.1988606E-04 -.1904389E+01 6.5609 5 HCO3- 0.2148823E-02 0.6271605E-02 0.3814944E+03 4.1221 6 HS- 0.5075024E-03 0.9273123E-03 0.3057340E+02 3.4931 7 H4SiO4 0.4966953E-02 0.5048970E-02 0.4837856E+03 -2.3039 8 Al+++ 0.2320417E-21 0.2588338E-05 0.6962164E-01 -2.0420 9 Ca++ 0.2425875E-04 0.4206543E-04 0.1680694E+01 8.7058 10 Mg++ 0.5622567E-07 0.9901527E-07 0.2399828E-02 6.0638 11 Fe++ 0.3679927E-10 0.6667475E-09 0.3712090E-04 2.8814 12 K+ 0.4367550E-02 0.4388794E-02 0.1710808E+03 4.4308 13 Na+ 0.3383629E-01 0.3500098E-01 0.8021814E+03 5.3169 14 Mn++ 0.4410330E-09 0.3203987E-08 0.1754773E-03 3.9614 15 Zn++ 0.2699714E-13 0.1807157E-07 0.1177692E-02 -0.2531 16 Cu+ 0.1140780E-12 0.5338942E-07 0.3381891E-02 -6.1554 17 Pb++ 0.6032334E-13 0.9229826E-08 0.1906424E-02 0.1058 18 Hg++ 0.1529818E-34 0.5789381E-10 0.1157707E-04 -21.4921 19 F- 0.2778867E-03 0.2879952E-03 0.5454442E+01 3.2266 Component Tot moles Aq. moles Solid moles Gas moles 1 H+ 0.1822172E+00 0.3598421E-02 -.5116138E-06 0.1786193E+00 2 H2O 0.5550825E+02 0.4699176E+02 -.7161065E-02 0.8523656E+01 3 Cl- 0.3072017E-01 0.3072017E-01 0.0000000E+00 0.6163745E-09 4 SO4-- -.4257700E-02 -.1683620E-04 0.4293208E-09 -.4240864E-02 5 HCO3- 0.1832100E+00 0.5309751E-02 0.0000000E+00 0.1779002E+00 6 HS- 0.9985820E-02 0.7850937E-03 0.1659467E-07 0.9200709E-02 7 H4SiO4 0.7855346E-02 0.4274627E-02 0.3580719E-02 0.0000000E+00 8 Al+++ 0.2253680E-05 0.2191373E-05 0.6230671E-07 0.0000000E+00 9 Ca++ 0.3561400E-04 0.3561400E-04 0.0000000E+00 0.0000000E+00 10 Mg++ 0.2355503E-06 0.8382965E-07 0.1517206E-06 0.0000000E+00 11 Fe++ 0.8017372E-08 0.5644908E-09 0.7452881E-08 0.0000000E+00 12 K+ 0.3715700E-02 0.3715700E-02 0.0000000E+00 0.0000000E+00 13 Na+ 0.2963300E-01 0.2963300E-01 0.0000000E+00 0.0000000E+00 14 Mn++ 0.2740424E-08 0.2712603E-08 0.2782050E-10 0.0000000E+00 15 Zn++ 0.1530000E-07 0.1530000E-07 0.0000000E+00 0.0000000E+00 16 Cu+ 0.6237410E-07 0.4520127E-07 0.1717283E-07 0.0000000E+00 17 Pb++ 0.1110000E-07 0.7814280E-08 0.3285720E-08 0.0000000E+00 18 Hg++ 0.4000000E-08 0.4901484E-10 0.0000000E+00 0.3950985E-08 19 F- 0.2439100E-03 0.2438264E-03 0.0000000E+00 0.8363642E-07 Chg. balance for solid moles: 0.4652E-16 Mass of aqueous solution: 0.849255E+03 g Temperature = 220.00 C Pressure = 23.31 bar Mixer frac. = 0.0000000 Log Log Vol Gas or mineral Moles Moles Grams Grams Wt.% (cm3) H2O,gas 8.690 0.939 156.5 2.195 95.18 0.1340E+05 CO2,gas 0.1751 -0.757 7.705 0.887 4.685 320.9 CH4,gas 0.2832E-02 -2.548 0.4542E-01 -1.343 0.2762E-01 5.566 H2,gas 0.5635E-02 -2.249 0.1138E-01 -1.944 0.6923E-02 10.00 H2S,gas 0.4960E-02 -2.305 0.1690 -0.772 0.1028 8.377 CO,gas 0.8290E-06 -6.081 0.2322E-04 -4.634 0.1412E-04 0.1458E-02 SO2,gas 0.9448E-13 -13.025 0.6052E-11 -11.218 0.3681E-11 0.1662E-09 HF,gas 0.8364E-07 -7.078 0.1673E-05 -5.777 0.1017E-05 0.1471E-03 HCl,gas 0.6164E-09 -9.210 0.2247E-07 -7.648 0.1367E-07 0.1084E-05 Hg,gas 0.3951E-08 -8.403 0.7925E-06 -6.101 0.4819E-06 0.6948E-05 clinochlore 0.3034E-07 -7.518 0.1687E-04 -4.773 0.7839E-02 0.6415E-05 daphnite 0.8037E-09 -9.095 0.5734E-06 -6.242 0.2665E-03 0.1738E-06 chlorite-Mn 0.5564E-11 -11.255 0.3945E-08 -8.404 0.1834E-05 0.1257E-08 quartz 0.3581E-02 -2.446 0.2151 -0.667 99.99 0.8124E-01 bornite 0.3435E-08 -8.464 0.1723E-05 -5.764 0.8011E-03 0.3391E-06 galena 0.3286E-08 -8.483 0.7861E-06 -6.105 0.3654E-03 0.1035E-06 Partial press. Fugacity coef Log fugacity Gas or Mineral Mole fraction or activity Activity coef Log activity H2O,gas 0.9788E+00 0.2282E+02 0.8923 1.309 CO2,gas 0.1972E-01 0.4597E+00 1.0124 -0.332 CH4,gas 0.3189E-03 0.7436E-02 1.1055 -2.085 H2,gas 0.6347E-03 0.1480E-01 1.0094 -1.826 H2S,gas 0.5586E-03 0.1302E-01 0.9605 -1.903 CO,gas 0.9337E-07 0.2177E-05 1.0000 -5.662 SO2,gas 0.1064E-13 0.2481E-12 1.0000 -12.605 HF,gas 0.9420E-08 0.2196E-06 1.0000 -6.658 HCl,gas 0.6942E-10 0.1619E-08 1.0000 -8.791 Hg,gas 0.4450E-09 0.1037E-07 1.0000 -7.984 clinochlore 0.9740E+00 0.9740E+00 1.0000 -0.011 daphnite 0.2580E-01 0.2580E-01 1.0000 -1.588 chlorite-Mn 0.1786E-03 0.1786E-03 1.0000 -3.748 quartz 0.1000E+01 0.1000E+01 1.0000 0.000 bornite 0.1000E+01 0.1000E+01 1.0000 0.000 galena 0.1000E+01 0.1000E+01 1.0000 0.000 Current weight percent of gas: 16.218571 % Solid products produced: Mass = 0.215144 g Volume = 0.081247 cm3 WARNING: mineral volume may be in error because some mineral densities were not supplied in SOLTHERM. See mineral list in file Skip_Species.txt. NON-Ideal mixing with H2O, CO2, CH4 Gases ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ The following gases and minerals are presently in matrix or were just added Gas or Mineral Log K Log Q Log(Q/K) Log(Q/K)/S Affinity Log Fugacity 1 H2O,gas 0.06 0.06 -0.00 -0.000 0.13701E-08 2 CO2,gas -8.04 -8.04 0.00 0.000 -0.47300E-09 3 CH4,gas 4.51 4.51 0.00 0.000 -0.13068E-08 4 H2,gas 5.89 5.89 0.00 0.000 -0.10622E-09 5 H2S,gas -7.09 -7.09 -0.00 -0.000 0.44093E-09 6 CO,gas -0.01 -0.01 0.00 0.000 -0.50106E-12 7 SO2,gas -4.48 -4.48 0.00 0.000 -0.40085E-11 8 HF,gas -2.60 -2.60 -0.00 -0.000 0.50106E-11 9 HCl,gas 1.64 1.64 -0.00 -0.000 0.30064E-11 10 Hg,gas -9.44 -9.44 0.00 0.000 0.00000E+00 43 clinochlore 19.38 19.38 -0.00 -0.000 0.16034E-10 44 daphnite 11.35 11.35 -0.00 -0.000 0.64136E-10 45 chlorite-Mn 27.55 27.55 -0.00 -0.000 0.80170E-11 146 quartz -2.30 -2.30 0.00 0.000 0.00000E+00 198 bornite -70.70 -70.70 -0.00 -0.000 0.32068E-10 249 galena -10.26 -10.26 -0.00 -0.000 0.80170E-11 The following gases and minerals are presently EXCLUDED from matrix (Gases and minerals with log(Q/K) less than -5 are not listed below) Gas or Mineral Log K Log Q Log(Q/K) Log(Q/K)/S Affinity Log Fugacity 11 acmite 5.37 2.24 -3.13 -0.325 0.70642E+04 15 albite-high -2.61 -3.64 -1.03 -0.079 0.23222E+04 16 albite -3.21 -3.64 -0.43 -0.033 0.96916E+03 20 analcite -0.18 -1.33 -1.15 -0.128 0.26039E+04 21 andalusite -3.22 -6.39 -3.17 -0.317 0.71488E+04 22 andradite 25.91 22.27 -3.64 -0.189 0.82154E+04 23 grossular 17.02 15.12 -1.90 -0.095 0.42811E+04 24 anhydrite -7.71 -12.45 -4.73 -2.367 0.10682E+05 25 ankerite -5.18 -7.88 -2.71 -0.451 0.61060E+04 27 phlogopite 15.06 13.67 -1.39 -0.077 0.31449E+04 29 anorthite 1.82 0.01 -1.81 -0.139 0.40849E+04 32 aragonite -0.69 -1.03 -0.34 -0.112 0.75791E+03 33 brucite 8.93 6.06 -2.87 -0.573 0.64672E+04 34 calcite -0.85 -1.03 -0.18 -0.061 0.41221E+03 35 carnegieite-low 4.06 0.97 -3.09 -0.441 0.69712E+04 36 carnegieite-high 4.67 0.97 -3.70 -0.529 0.83501E+04 37 carpholite-Mg -0.36 -2.63 -2.27 -0.151 0.51235E+04 38 carpholite-Fe -1.85 -5.81 -3.96 -0.264 0.89330E+04 39 celadonite 1.16 -0.76 -1.93 -0.113 0.43485E+04 40 celadonite-Fe -0.14 -3.95 -3.81 -0.224 0.85880E+04 41 chrysotile 15.90 13.58 -2.32 -0.193 0.52284E+04 46 chlorite-Al-free 31.46 27.17 -4.29 -0.179 0.96847E+04 47 chloritoid-Mg 2.60 -0.32 -2.92 -0.195 0.65923E+04 48 chloritoid-Fe -0.39 -3.51 -3.12 -0.208 0.70326E+04 49 chloritoid-Mn 1.82 -2.43 -4.25 -0.283 0.95838E+04 51 coesite -1.82 -2.30 -0.48 -0.161 0.10929E+04 56 corundum -0.61 -4.08 -3.47 -0.315 0.78299E+04 58 cristobalite -2.06 -2.30 -0.24 -0.081 0.55124E+03 61 cymrite-K -1.17 -4.52 -3.36 -0.280 0.75727E+04 63 diaspore -0.87 -2.04 -1.17 -0.196 0.26505E+04 64 diamond -1.99 -4.34 -2.35 -0.670 0.52937E+04 65 diopside 10.69 10.16 -0.53 -0.053 0.11896E+04 66 hedenbergite 9.09 6.98 -2.11 -0.211 0.47711E+04 67 dolomite,ordered -3.05 -4.70 -1.65 -0.275 0.37230E+04 68 eastonite 10.27 5.82 -4.45 -0.171 0.10032E+05 69 enstatite 10.72 7.52 -3.20 -0.320 0.72305E+04 70 clinoenstatite-HiP 11.56 7.52 -4.04 -0.404 0.91125E+04 71 clinoenstatite 10.65 7.52 -3.13 -0.313 0.70701E+04 72 protoenstatite 11.09 7.52 -3.57 -0.357 0.80539E+04 73 epidote 9.85 7.95 -1.90 -0.092 0.42890E+04 74 clinozoisite 6.21 4.37 -1.83 -0.083 0.41321E+04 75 epidote-Fe 16.05 11.52 -4.52 -0.235 0.10207E+05 76 fayalite 8.18 3.46 -4.73 -0.675 0.10664E+05 77 ferrosilite 5.99 1.16 -4.84 -0.484 0.10911E+05 78 forsterite 13.56 9.82 -3.74 -0.534 0.84406E+04 81 gibbsite 0.45 -2.04 -2.50 -0.357 0.56345E+04 82 glaucophane 9.72 6.31 -3.41 -0.092 0.77052E+04 84 goethite 3.90 1.53 -2.36 -0.511 0.53366E+04 85 graphite -2.38 -4.34 -1.96 -0.560 0.44190E+04 88 halite 1.13 -3.21 -4.33 -2.167 0.97792E+04 89 hematite 7.01 3.07 -3.94 -0.478 0.88981E+04 90 heulandite -11.04 -11.51 -0.47 -0.021 0.10501E+04 94 jadeite 0.72 -1.33 -2.06 -0.206 0.46382E+04 96 kalsilite 3.14 0.08 -3.05 -0.436 0.68928E+04 97 kaolinite -6.72 -8.69 -1.97 -0.179 0.44385E+04 98 kyanite -3.19 -6.39 -3.19 -0.319 0.72091E+04 100 laumontite -3.90 -4.59 -0.70 -0.046 0.15689E+04 101 lawsonite 1.27 0.01 -1.25 -0.083 0.28231E+04 102 leucite 0.23 -2.22 -2.45 -0.245 0.55331E+04 104 lizardite 15.57 13.58 -1.99 -0.166 0.44930E+04 105 magnesite -1.51 -3.67 -2.16 -0.721 0.48791E+04 108 minnesotaite-Mg 12.78 8.98 -3.81 -0.224 0.85871E+04 112 margarite -0.74 -4.07 -3.33 -0.133 0.75228E+04 115 microcline -4.50 -4.52 -0.03 -0.002 0.61876E+02 116 monticellite 16.81 12.47 -4.34 -0.620 0.97951E+04 118 mullite-Si -1.62 -6.39 -4.77 -0.477 0.10761E+05 119 muscovite -6.92 -8.61 -1.69 -0.099 0.38046E+04 120 paragonite -5.86 -7.72 -1.86 -0.109 0.41999E+04 121 nepheline 3.51 0.97 -2.54 -0.363 0.57370E+04 127 periclase-Fe 7.55 2.88 -4.67 -1.167 0.10530E+05 133 phlogopite-Na 16.73 14.55 -2.17 -0.121 0.49006E+04 135 prehnite 7.35 6.42 -0.93 -0.055 0.21093E+04 136 prehnite-Fe 11.83 9.99 -1.84 -0.111 0.41484E+04 137 pumpellyite-Fe 17.40 13.67 -3.73 -0.083 0.84186E+04 138 pumpellyite-Mg 19.51 16.85 -2.65 -0.059 0.59896E+04 140 px-Ca-tschermaks 6.65 2.32 -4.33 -0.309 0.97683E+04 141 pyrite -19.52 -20.54 -1.03 -0.242 0.23199E+04 142 pyrrhotite -5.49 -7.48 -1.99 -0.664 0.44921E+04 143 pyrrhotiteFe0.875 -6.73 -8.18 -1.45 -0.532 0.32615E+04 144 pyroxmangite 4.86 1.66 -3.21 -0.641 0.72349E+04 145 pyrophyllite -11.03 -13.30 -2.27 -0.142 0.51176E+04 151 rhodochrosite -2.32 -5.77 -3.46 -1.152 0.77970E+04 152 rhodonite 4.88 1.66 -3.23 -0.645 0.72802E+04 153 sanidine -3.58 -4.52 -0.94 -0.073 0.21292E+04 155 siderite -4.04 -6.85 -2.81 -0.937 0.63409E+04 156 sillimanite -3.06 -6.39 -3.33 -0.333 0.75167E+04 163 stilbite -10.37 -11.51 -1.13 -0.054 0.25600E+04 165 stilpnomelane-Mg 10.85 10.02 -0.83 -0.025 0.18712E+04 166 stishovite 2.24 -2.30 -4.54 -1.513 0.10244E+05 168 sudoite 1.92 -2.95 -4.87 -0.157 0.10984E+05 169 sulfur -8.69 -13.06 -4.38 -1.346 0.98748E+04 171 talc 9.73 8.98 -0.76 -0.045 0.17116E+04 173 talc-tschermaks 5.73 1.13 -4.60 -0.271 0.10382E+05 178 topaz-H -2.55 -6.39 -3.84 -0.349 0.86641E+04 179 tridymite -2.09 -2.30 -0.22 -0.072 0.48724E+03 180 tremolite 30.27 29.30 -0.97 -0.026 0.21863E+04 182 troilite-low -5.54 -7.48 -1.95 -0.649 0.43916E+04 188 wairakite -4.06 -4.59 -0.53 -0.031 0.12015E+04 189 walstromite 8.24 6.40 -1.83 -0.367 0.41398E+04 190 wollastonite 7.46 6.40 -1.05 -0.211 0.23787E+04 191 pseudo-wollastonite 7.80 6.40 -1.40 -0.280 0.31617E+04 192 zoisite 6.24 4.37 -1.87 -0.085 0.42177E+04 193 beidellite-Ca -8.87 -11.78 -2.91 -0.180 0.65621E+04 194 beidellite-H -9.25 -13.21 -3.96 -0.253 0.89430E+04 195 beidellite-K -8.33 -11.75 -3.43 -0.210 0.77299E+04 196 beidellite-Mg -9.10 -12.21 -3.12 -0.193 0.70344E+04 197 beidellite-Na -8.26 -11.46 -3.20 -0.196 0.72162E+04 200 chalcedony -2.16 -2.30 -0.14 -0.047 0.32116E+03 201 chalcocite -21.29 -22.67 -1.39 -0.347 0.31280E+04 202 covellite -15.87 -17.87 -2.00 -0.762 0.45163E+04 204 montmorillonite-Ca -7.47 -9.19 -1.72 -0.106 0.38848E+04 205 montmorillonite-K -7.04 -9.16 -2.13 -0.130 0.47960E+04 206 montmorillonite-Mg -7.72 -9.62 -1.90 -0.118 0.42976E+04 207 montmorillonite-Na -6.90 -8.87 -1.97 -0.121 0.44503E+04 209 nontronite-Ca -0.71 -4.63 -3.92 -0.254 0.88380E+04 210 nontronite-H -1.10 -6.06 -4.97 -0.333 0.11211E+05 211 nontronite-K -0.17 -4.60 -4.43 -0.285 0.10004E+05 212 nontronite-Mg -0.93 -5.06 -4.13 -0.268 0.93176E+04 213 nontronite-Na -0.10 -4.31 -4.21 -0.270 0.94945E+04 229 tobermorite 8.39 4.95 -3.44 -0.939 0.77619E+04 235 alabandite -2.67 -6.40 -3.73 -1.244 0.84216E+04 240 boehmite 0.09 -2.04 -2.13 -0.355 0.48055E+04 242 chalcopyrite -24.71 -25.35 -0.64 -0.119 0.14482E+04 245 copper,native -1.30 -4.81 -3.51 -1.221 0.79189E+04 246 dolomite,disordered -2.67 -4.70 -2.03 -0.339 0.45832E+04 247 ferrous-oxide 6.13 2.88 -3.25 -0.812 0.73278E+04 248 fluorite -11.06 -12.56 -1.50 -0.499 0.33792E+04 257 silica-amorphous -1.73 -2.30 -0.57 -0.190 0.12880E+04 260 sphalerite -10.01 -10.62 -0.61 -0.203 0.13729E+04 261 wurtzite -8.62 -10.62 -1.99 -0.664 0.44957E+04 263 an20ab80 -2.42 -2.91 -0.49 -0.038 0.11018E+04 264 an25ab75 -2.19 -2.72 -0.53 -0.041 0.11967E+04 265 an30ab70 -1.96 -2.54 -0.58 -0.044 0.13045E+04 266 tr.625ac.25prg.125 26.35 25.04 -1.31 -0.035 0.29569E+04 271 FeS-amorphous -3.90 -7.48 -3.58 -1.194 0.80835E+04 Calculations done for 220.0000 Deg. C; 23.3142 bar Enthalpies: Pure water 4.0664 kcal/mole H2O,gas 12.0761 kcal/mole CO2,gas 2.7249 kcal/mole CH4,gas 2.6406 kcal/mole Current solution 191.1017 Gas 105.4289 kcal Total current enthalpy 296.5306 kcal Starting enthalpy 296.5306 kcal Temperature changed by -2.000 degrees to 218.000 degrees C. Solids and gases carried ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ Test file for CHIM-XPT. Boil Broadlands Water Water similar to Broadlands Well No. 2 CHIMRUN demo-2a ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ Number of loops used = 12 Loop limit = 200 Temperature = 218.00 C Pressure = 22.42 bar Mixer fraction = 0.0000000 Total current enthalpy = 296.5306 KCAL Water: Moles liquid = 0.4677E+02 kg liquid = 0.8425E+00 Moles total = 0.5551E+02 kg total = 0.1000E+01 Activity = 0.9999 Stoichiometric ionic strength = .4168611E-01 Osmotic coef. = 0.9103 True ionic strength = .3851128E-01 Chg. balance for total moles = 0.2402E-07 Max. difference allowed = 0.3072E-05 Log Log Log Species(n) Molality Molality Activity Activity Gamma Gamma 1 H+ 0.15674E-06 -6.8048 0.11493E-06 -6.9396 0.73323E+00 -0.1348 2 H2O 0.99992E+00 -0.0000 0.99992E+00 -0.0000 3 Cl- 0.35387E-01 -1.4512 0.25608E-01 -1.5916 0.72366E+00 -0.1405 4 SO4-- 0.18456E-06 -6.7339 0.55225E-07 -7.2579 0.29922E+00 -0.5240 5 HCO3- 0.21630E-02 -2.6649 0.15743E-02 -2.8029 0.72781E+00 -0.1380 6 HS- 0.50589E-03 -3.2959 0.36632E-03 -3.4361 0.72411E+00 -0.1402 7 H4SiO4 0.48666E-02 -2.3128 0.48666E-02 -2.3128 0.10000E+01 0.0000 8 Al+++ 0.24384E-21 -21.6129 0.15843E-22 -22.8002 0.64973E-01 -1.1873 9 Ca++ 0.24813E-04 -4.6053 0.72648E-05 -5.1388 0.29277E+00 -0.5335 10 Mg++ 0.57356E-07 -7.2414 0.16521E-07 -7.7820 0.28804E+00 -0.5405 11 Fe++ 0.34720E-10 -10.4594 0.10041E-10 -10.9982 0.28921E+00 -0.5388 12 K+ 0.43897E-02 -2.3576 0.31997E-02 -2.4949 0.72891E+00 -0.1373 13 Na+ 0.34029E-01 -1.4681 0.24632E-01 -1.6085 0.72386E+00 -0.1403 14 Mn++ 0.46229E-09 -9.3351 0.13409E-09 -9.8726 0.29007E+00 -0.5375 15 Zn++ 0.29271E-13 -13.5336 0.84653E-14 -14.0724 0.28921E+00 -0.5388 16 Cu+ 0.10350E-12 -12.9850 0.74907E-13 -13.1255 0.72371E+00 -0.1404 17 Pb++ 0.56617E-13 -13.2471 0.16743E-13 -13.7762 0.29572E+00 -0.5291 18 Hg++ 0.12801E-34 -34.8928 0.37675E-35 -35.4239 0.29432E+00 -0.5312 19 F- 0.27964E-03 -3.5534 0.20025E-03 -3.6984 0.71610E+00 -0.1450 21 HSiO3- 0.69666E-04 -4.1570 0.50415E-04 -4.2974 0.72366E+00 -0.1405 22 Ca(HSiO3)+ 0.13936E-06 -6.8559 0.10166E-06 -6.9929 0.72946E+00 -0.1370 23 Mg(HSiO3)+ 0.24799E-09 -9.6056 0.18090E-09 -9.7426 0.72946E+00 -0.1370 24 NaHSiO3,aq 0.13730E-04 -4.8623 0.13730E-04 -4.8623 0.10000E+01 0.0000 27 HAlO2,aq 0.79988E-08 -8.0970 0.79988E-08 -8.0970 0.10000E+01 0.0000 28 AlO2- 0.25930E-05 -5.5862 0.18599E-05 -5.7305 0.71728E+00 -0.1443 29 CH4,aq 0.12080E-04 -4.9180 0.11926E-04 -4.9235 0.98731E+00 -0.0055 34 CO,aq 0.38198E-08 -8.4180 0.38198E-08 -8.4180 0.10000E+01 0.0000 35 CO2,aq 0.37688E-02 -2.4238 0.37210E-02 -2.4293 0.98731E+00 -0.0055 36 CO3-2 0.11758E-05 -5.9297 0.34939E-06 -6.4567 0.29715E+00 -0.5270 37 CaCO3,aq 0.12628E-05 -5.8987 0.12628E-05 -5.8987 0.10000E+01 0.0000 38 Ca(HCO3)+ 0.62503E-05 -5.2041 0.45593E-05 -5.3411 0.72946E+00 -0.1370 39 CaCl+ 0.71141E-05 -5.1479 0.51895E-05 -5.2849 0.72946E+00 -0.1370 40 CaCl2,aq 0.68567E-07 -7.1639 0.68567E-07 -7.1639 0.10000E+01 0.0000 41 CaF+ 0.55537E-06 -6.2554 0.40512E-06 -6.3924 0.72946E+00 -0.1370 42 CaOH+ 0.20656E-05 -5.6849 0.15068E-05 -5.8219 0.72946E+00 -0.1370 43 CaSO4,aq 0.18438E-08 -8.7343 0.18438E-08 -8.7343 0.10000E+01 0.0000 44 HCl,aq 0.31481E-08 -8.5020 0.31481E-08 -8.5020 0.10000E+01 0.0000 53 CuCl,aq 0.13776E-10 -10.8609 0.13776E-10 -10.8609 0.10000E+01 0.0000 61 HF,aq 0.26332E-05 -5.5795 0.26332E-05 -5.5795 0.10000E+01 0.0000 62 HF2- 0.23128E-09 -9.6359 0.16737E-09 -9.7763 0.72366E+00 -0.1405 69 FeO,aq 0.17235E-09 -9.7636 0.17235E-09 -9.7636 0.10000E+01 0.0000 70 FeOH+ 0.22724E-09 -9.6435 0.16576E-09 -9.7805 0.72946E+00 -0.1370 71 HFeO2- 0.76166E-10 -10.1182 0.55119E-10 -10.2587 0.72366E+00 -0.1405 74 FeO2- 0.63131E-10 -10.1998 0.45685E-10 -10.3402 0.72366E+00 -0.1405 75 HFeO2,aq 0.24021E-10 -10.6194 0.24021E-10 -10.6194 0.10000E+01 0.0000 76 H2,aq 0.25605E-04 -4.5917 0.25280E-04 -4.5972 0.98731E+00 -0.0055 77 Hg,aq 0.52841E-10 -10.2770 0.52170E-10 -10.2826 0.98731E+00 -0.0055 90 KCl,aq 0.20137E-04 -4.6960 0.20137E-04 -4.6960 0.10000E+01 0.0000 92 KOH,aq 0.42638E-06 -6.3702 0.42638E-06 -6.3702 0.10000E+01 0.0000 93 KSO4- 0.29796E-07 -7.5258 0.21562E-07 -7.6663 0.72366E+00 -0.1405 94 MgCO3,aq 0.36840E-09 -9.4337 0.36840E-09 -9.4337 0.10000E+01 0.0000 95 Mg(HCO3)+ 0.13460E-07 -7.8710 0.98184E-08 -8.0080 0.72946E+00 -0.1370 96 MgCl+ 0.87571E-08 -8.0576 0.63880E-08 -8.1946 0.72946E+00 -0.1370 97 MgF+ 0.36271E-08 -8.4404 0.26458E-08 -8.5774 0.72946E+00 -0.1370 98 MgOH+ 0.15455E-07 -7.8109 0.11274E-07 -7.9479 0.72946E+00 -0.1370 101 MnO,aq 0.69571E-10 -10.1576 0.69571E-10 -10.1576 0.10000E+01 0.0000 102 MnOH+ 0.42418E-09 -9.3724 0.30942E-09 -9.5094 0.72946E+00 -0.1370 107 MnCl+ 0.13499E-08 -8.8697 0.98469E-09 -9.0067 0.72946E+00 -0.1370 109 NaCl,aq 0.10485E-02 -2.9794 0.10485E-02 -2.9794 0.10000E+01 0.0000 110 NaF,aq 0.65746E-05 -5.1821 0.65746E-05 -5.1821 0.10000E+01 0.0000 111 NaOH,aq 0.22245E-05 -5.6528 0.22245E-05 -5.6528 0.10000E+01 0.0000 113 OH- 0.73813E-04 -4.1319 0.52944E-04 -4.2762 0.71728E+00 -0.1443 122 PbO,aq 0.13060E-10 -10.8841 0.13060E-10 -10.8841 0.10000E+01 0.0000 124 Pb(HS)2,aq 0.78934E-08 -8.1027 0.78934E-08 -8.1027 0.10000E+01 0.0000 125 Pb(HS)3- 0.10975E-09 -9.9596 0.79419E-10 -10.1001 0.72366E+00 -0.1405 126 H2S,aq 0.36216E-03 -3.4411 0.35757E-03 -3.4466 0.98731E+00 -0.0055 127 S2-2 0.12943E-09 -9.8880 0.38461E-10 -10.4150 0.29715E+00 -0.5270 135 HSO4- 0.48364E-09 -9.3155 0.35377E-09 -9.4513 0.73148E+00 -0.1358 153 ZnO,aq 0.15148E-10 -10.8196 0.15148E-10 -10.8196 0.10000E+01 0.0000 154 ZnOH+ 0.18808E-09 -9.7256 0.13720E-09 -9.8626 0.72946E+00 -0.1370 164 Cu(HS)2- 0.51663E-07 -7.2868 0.37387E-07 -7.4273 0.72366E+00 -0.1405 166 CuH4S3-b 0.11392E-09 -9.9434 0.82438E-10 -10.0839 0.72366E+00 -0.1405 179 MgSO4,aq 0.14446E-10 -10.8402 0.14446E-10 -10.8402 0.10000E+01 0.0000 180 MnCl2,aq 0.47429E-09 -9.3240 0.47429E-09 -9.3240 0.10000E+01 0.0000 181 MnCl3- 0.79727E-10 -10.0984 0.57696E-10 -10.2389 0.72366E+00 -0.1405 182 MnCO3,aq 0.35114E-09 -9.4545 0.35114E-09 -9.4545 0.10000E+01 0.0000 183 NaCO3- 0.60739E-06 -6.2165 0.43954E-06 -6.3570 0.72366E+00 -0.1405 184 NaHCO3,aq 0.57971E-04 -4.2368 0.57971E-04 -4.2368 0.10000E+01 0.0000 185 NaHS,aq 0.13489E-04 -4.8700 0.13489E-04 -4.8700 0.10000E+01 0.0000 186 NaSO4- 0.55903E-07 -7.2526 0.40455E-07 -7.3930 0.72366E+00 -0.1405 187 PbCO3,aq 0.39095E-09 -9.4079 0.39095E-09 -9.4079 0.10000E+01 0.0000 188 PbOH+ 0.49335E-10 -10.3068 0.35988E-10 -10.4438 0.72946E+00 -0.1370 193 Zn(HS)2,aq 0.17571E-07 -7.7552 0.17571E-07 -7.7552 0.10000E+01 0.0000 194 Zn(HS)3- 0.37768E-09 -9.4229 0.27331E-09 -9.5633 0.72366E+00 -0.1405 Charge balance for all species = 0.2851E-07 Component Molality Aq.molality ppm log[A(N)/A(H+)**Z] (total) 1 H+ 0.1567447E-06 0.3951854E-02 0.3970977E+01 0.0000 2 H2O 0.1000000E+01 0.5550452E+02 0.9968541E+06 0.0000 3 Cl- 0.3538694E-01 0.3646285E-01 0.1288740E+04 5.3479 4 SO4-- 0.1845622E-06 -.1820909E-04 -.1743813E+01 6.6213 5 HCO3- 0.2163023E-02 0.6011209E-02 0.3656587E+03 4.1366 6 HS- 0.5058903E-03 0.9001809E-03 0.2967919E+02 3.5034 7 H4SiO4 0.4866586E-02 0.4950121E-02 0.4743190E+03 -2.3128 8 Al+++ 0.2438429E-21 0.2601054E-05 0.6996443E-01 -1.9815 9 Ca++ 0.2481349E-04 0.4227151E-04 0.1688945E+01 8.7404 10 Mg++ 0.5735626E-07 0.9928609E-07 0.2406417E-02 6.0972 11 Fe++ 0.3471979E-10 0.6058739E-09 0.3373213E-04 2.8809 12 K+ 0.4389702E-02 0.4410295E-02 0.1719208E+03 4.4447 13 Na+ 0.3402929E-01 0.3517245E-01 0.8061198E+03 5.3311 14 Mn++ 0.4622856E-09 0.3218681E-08 0.1762839E-03 4.0065 15 Zn++ 0.2927107E-13 0.1816011E-07 0.1183474E-02 -0.1932 16 Cu+ 0.1035040E-12 0.5180217E-07 0.3281383E-02 -6.1859 17 Pb++ 0.5661691E-13 0.8460884E-08 0.1747617E-02 0.1030 18 Hg++ 0.1280059E-34 0.5327058E-10 0.1065267E-04 -21.5448 19 F- 0.2796434E-03 0.2894107E-03 0.5481308E+01 3.2411 Component Tot moles Aq. moles Solid moles Gas moles 1 H+ 0.1822172E+00 0.3329461E-02 -.5129517E-06 0.1788883E+00 2 H2O 0.5550825E+02 0.4676289E+02 -.7369307E-02 0.8752734E+01 3 Cl- 0.3072017E-01 0.3072017E-01 0.0000000E+00 0.5789580E-09 4 SO4-- -.4257700E-02 -.1534127E-04 0.4682615E-09 -.4242359E-02 5 HCO3- 0.1832100E+00 0.5064480E-02 0.0000000E+00 0.1781455E+00 6 HS- 0.9985820E-02 0.7584078E-03 0.1848776E-07 0.9227394E-02 7 H4SiO4 0.7855346E-02 0.4170506E-02 0.3684839E-02 0.0000000E+00 8 Al+++ 0.2253680E-05 0.2191404E-05 0.6227626E-07 0.0000000E+00 9 Ca++ 0.3561400E-04 0.3561400E-04 0.0000000E+00 0.0000000E+00 10 Mg++ 0.2355503E-06 0.8364913E-07 0.1519012E-06 0.0000000E+00 11 Fe++ 0.8017372E-08 0.5104524E-09 0.7506920E-08 0.0000000E+00 12 K+ 0.3715700E-02 0.3715700E-02 0.0000000E+00 0.0000000E+00 13 Na+ 0.2963300E-01 0.2963300E-01 0.0000000E+00 0.0000000E+00 14 Mn++ 0.2740424E-08 0.2711758E-08 0.2866572E-10 0.0000000E+00 15 Zn++ 0.1530000E-07 0.1530000E-07 0.0000000E+00 0.0000000E+00 16 Cu+ 0.6237410E-07 0.4364364E-07 0.1873046E-07 0.0000000E+00 17 Pb++ 0.1110000E-07 0.7128346E-08 0.3971654E-08 0.0000000E+00 18 Hg++ 0.4000000E-08 0.4488078E-10 0.0000000E+00 0.3955119E-08 19 F- 0.2439100E-03 0.2438302E-03 0.0000000E+00 0.7978066E-07 Chg. balance for solid moles: 0.1388E-16 Mass of aqueous solution: 0.845106E+03 g Temperature = 218.00 C Pressure = 22.42 bar Mixer frac. = 0.0000000 Log Log Vol Gas or mineral Moles Moles Grams Grams Wt.% (cm3) H2O,gas 8.920 0.950 160.6 2.206 95.29 0.1429E+05 CO2,gas 0.1753 -0.756 7.716 0.887 4.577 332.5 CH4,gas 0.2830E-02 -2.548 0.4539E-01 -1.343 0.2692E-01 5.743 H2,gas 0.5649E-02 -2.248 0.1141E-01 -1.943 0.6769E-02 10.38 H2S,gas 0.4985E-02 -2.302 0.1699 -0.770 0.1008 8.728 CO,gas 0.7775E-06 -6.109 0.2178E-04 -4.662 0.1292E-04 0.1416E-02 SO2,gas 0.8648E-13 -13.063 0.5540E-11 -11.257 0.3286E-11 0.1575E-09 HF,gas 0.7978E-07 -7.098 0.1596E-05 -5.797 0.9465E-06 0.1453E-03 HCl,gas 0.5790E-09 -9.237 0.2111E-07 -7.676 0.1252E-07 0.1054E-05 Hg,gas 0.3955E-08 -8.403 0.7934E-06 -6.101 0.4706E-06 0.7203E-05 clinochlore 0.3038E-07 -7.517 0.1689E-04 -4.772 0.7627E-02 0.6423E-05 daphnite 0.7522E-09 -9.124 0.5367E-06 -6.270 0.2424E-03 0.1626E-06 chlorite-Mn 0.5733E-11 -11.242 0.4065E-08 -8.391 0.1836E-05 0.1295E-08 quartz 0.3685E-02 -2.434 0.2214 -0.655 99.99 0.8360E-01 bornite 0.3746E-08 -8.426 0.1880E-05 -5.726 0.8490E-03 0.3698E-06 galena 0.3972E-08 -8.401 0.9502E-06 -6.022 0.4292E-03 0.1251E-06 Partial press. Fugacity coef Log fugacity Gas or Mineral Mole fraction or activity Activity coef Log activity H2O,gas 0.9793E+00 0.2196E+02 0.8946 1.293 CO2,gas 0.1925E-01 0.4316E+00 1.0132 -0.359 CH4,gas 0.3107E-03 0.6966E-02 1.1030 -2.114 H2,gas 0.6202E-03 0.1391E-01 1.0091 -1.853 H2S,gas 0.5473E-03 0.1227E-01 0.9615 -1.928 CO,gas 0.8537E-07 0.1914E-05 1.0000 -5.718 SO2,gas 0.9494E-14 0.2129E-12 1.0000 -12.672 HF,gas 0.8759E-08 0.1964E-06 1.0000 -6.707 HCl,gas 0.6356E-10 0.1425E-08 1.0000 -8.846 Hg,gas 0.4342E-09 0.9737E-08 1.0000 -8.012 clinochlore 0.9757E+00 0.9757E+00 1.0000 -0.011 daphnite 0.2416E-01 0.2416E-01 1.0000 -1.617 chlorite-Mn 0.1841E-03 0.1841E-03 1.0000 -3.735 quartz 0.1000E+01 0.1000E+01 1.0000 0.000 bornite 0.1000E+01 0.1000E+01 1.0000 0.000 galena 0.1000E+01 0.1000E+01 1.0000 0.000 Current weight percent of gas: 16.627075 % Solid products produced: Mass = 0.221400 g Volume = 0.083610 cm3 WARNING: mineral volume may be in error because some mineral densities were not supplied in SOLTHERM. See mineral list in file Skip_Species.txt. NON-Ideal mixing with H2O, CO2, CH4 Gases ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ The following gases and minerals are presently in matrix or were just added Gas or Mineral Log K Log Q Log(Q/K) Log(Q/K)/S Affinity Log Fugacity 1 H2O,gas 0.06 0.06 -0.00 -0.000 0.10379E-08 2 CO2,gas -8.03 -8.03 0.00 0.000 -0.35930E-09 3 CH4,gas 4.48 4.48 0.00 0.000 -0.98608E-09 4 H2,gas 5.89 5.89 0.00 0.000 -0.77848E-10 5 H2S,gas -7.10 -7.10 -0.00 -0.000 0.33535E-09 6 CO,gas 0.02 0.02 -0.00 -0.000 0.99806E-12 7 SO2,gas -4.42 -4.42 0.00 0.000 -0.39922E-11 8 HF,gas -2.58 -2.58 -0.00 -0.000 0.19961E-11 9 HCl,gas 1.67 1.67 0.00 0.000 -0.49903E-12 10 Hg,gas -9.49 -9.49 -0.00 -0.000 0.39922E-11 43 clinochlore 19.64 19.64 0.00 0.000 0.00000E+00 44 daphnite 11.59 11.59 -0.00 -0.000 0.79844E-11 45 chlorite-Mn 27.81 27.81 -0.00 -0.000 0.79844E-11 146 quartz -2.31 -2.31 0.00 0.000 0.00000E+00 198 bornite -70.90 -70.90 -0.00 -0.000 0.31938E-10 249 galena -10.27 -10.27 0.00 0.000 0.00000E+00 The following gases and minerals are presently EXCLUDED from matrix (Gases and minerals with log(Q/K) less than -5 are not listed below) Gas or Mineral Log K Log Q Log(Q/K) Log(Q/K)/S Affinity Log Fugacity 11 acmite 5.40 2.24 -3.16 -0.328 0.71053E+04 15 albite-high -2.56 -3.59 -1.03 -0.079 0.23038E+04 16 albite -3.17 -3.59 -0.42 -0.032 0.94291E+03 20 analcite -0.13 -1.28 -1.14 -0.127 0.25688E+04 21 andalusite -3.11 -6.28 -3.17 -0.317 0.71200E+04 22 andradite 26.09 22.35 -3.73 -0.194 0.83875E+04 23 grossular 17.23 15.32 -1.91 -0.096 0.42937E+04 24 anhydrite -7.67 -12.40 -4.73 -2.365 0.10629E+05 25 ankerite -5.12 -7.86 -2.74 -0.457 0.61601E+04 27 phlogopite 15.22 13.82 -1.40 -0.078 0.31524E+04 29 anorthite 1.97 0.15 -1.82 -0.140 0.40892E+04 32 aragonite -0.66 -1.00 -0.34 -0.113 0.75914E+03 33 brucite 8.98 6.10 -2.88 -0.576 0.64696E+04 34 calcite -0.82 -1.00 -0.18 -0.062 0.41465E+03 35 carnegieite-low 4.13 1.04 -3.09 -0.441 0.69424E+04 36 carnegieite-high 4.74 1.04 -3.71 -0.529 0.83286E+04 37 carpholite-Mg -0.24 -2.49 -2.25 -0.150 0.50663E+04 38 carpholite-Fe -1.74 -5.71 -3.97 -0.265 0.89272E+04 39 celadonite 1.22 -0.69 -1.91 -0.112 0.42952E+04 40 celadonite-Fe -0.08 -3.91 -3.82 -0.225 0.85904E+04 41 chrysotile 16.00 13.67 -2.34 -0.195 0.52509E+04 46 chlorite-Al-free 31.66 27.33 -4.33 -0.180 0.97238E+04 47 chloritoid-Mg 2.74 -0.18 -2.92 -0.195 0.65582E+04 48 chloritoid-Fe -0.26 -3.39 -3.13 -0.209 0.70444E+04 49 chloritoid-Mn 1.95 -2.27 -4.22 -0.281 0.94830E+04 51 coesite -1.83 -2.31 -0.49 -0.162 0.10924E+04 56 corundum -0.49 -3.96 -3.47 -0.316 0.78009E+04 58 cristobalite -2.07 -2.31 -0.25 -0.082 0.55385E+03 61 cymrite-K -1.13 -4.48 -3.35 -0.279 0.75215E+04 63 diaspore -0.82 -1.98 -1.17 -0.194 0.26184E+04 64 diamond -2.01 -4.36 -2.36 -0.673 0.52960E+04 65 diopside 10.76 10.21 -0.55 -0.055 0.12330E+04 66 hedenbergite 9.16 7.00 -2.17 -0.217 0.48668E+04 67 dolomite,ordered -2.99 -4.65 -1.66 -0.276 0.37255E+04 68 eastonite 10.51 6.07 -4.44 -0.171 0.99883E+04 69 enstatite 10.81 7.57 -3.24 -0.324 0.72804E+04 70 clinoenstatite-HiP 11.65 7.57 -4.08 -0.408 0.91621E+04 71 clinoenstatite 10.74 7.57 -3.17 -0.317 0.71197E+04 72 protoenstatite 11.18 7.57 -3.61 -0.361 0.81058E+04 73 epidote 10.05 8.12 -1.93 -0.094 0.43480E+04 74 clinozoisite 6.43 4.60 -1.83 -0.083 0.41166E+04 75 epidote-Fe 16.23 11.63 -4.60 -0.239 0.10338E+05 76 fayalite 8.26 3.45 -4.81 -0.688 0.10816E+05 77 ferrosilite 6.06 1.14 -4.92 -0.492 0.11061E+05 78 forsterite 13.66 9.88 -3.78 -0.540 0.84914E+04 81 gibbsite 0.50 -1.98 -2.48 -0.355 0.55845E+04 82 glaucophane 9.90 6.49 -3.41 -0.092 0.76637E+04 84 goethite 3.93 1.54 -2.40 -0.518 0.53843E+04 85 graphite -2.39 -4.36 -1.97 -0.562 0.44232E+04 88 halite 1.14 -3.20 -4.34 -2.169 0.97511E+04 89 hematite 7.08 3.07 -4.01 -0.486 0.90173E+04 90 heulandite -10.97 -11.41 -0.44 -0.020 0.99316E+03 94 jadeite 0.77 -1.28 -2.05 -0.205 0.45970E+04 96 kalsilite 3.20 0.15 -3.05 -0.436 0.68522E+04 97 kaolinite -6.65 -8.59 -1.94 -0.176 0.43541E+04 98 kyanite -3.08 -6.28 -3.19 -0.319 0.71761E+04 100 laumontite -3.81 -4.47 -0.67 -0.044 0.14996E+04 101 lawsonite 1.38 0.15 -1.23 -0.082 0.27577E+04 102 leucite 0.29 -2.16 -2.45 -0.245 0.55012E+04 104 lizardite 15.67 13.67 -2.01 -0.167 0.45086E+04 105 magnesite -1.47 -3.65 -2.17 -0.724 0.48801E+04 108 minnesotaite-Mg 12.88 9.04 -3.84 -0.226 0.86319E+04 112 margarite -0.49 -3.81 -3.32 -0.133 0.74628E+04 115 microcline -4.47 -4.47 -0.01 -0.001 0.18705E+02 116 monticellite 16.90 12.52 -4.38 -0.626 0.98416E+04 118 mullite-Si -1.50 -6.28 -4.78 -0.478 0.10736E+05 119 muscovite -6.79 -8.44 -1.65 -0.097 0.37050E+04 120 paragonite -5.72 -7.55 -1.83 -0.108 0.41130E+04 121 nepheline 3.58 1.04 -2.54 -0.363 0.57088E+04 127 periclase-Fe 7.60 2.88 -4.72 -1.180 0.10607E+05 133 phlogopite-Na 16.89 14.70 -2.19 -0.122 0.49243E+04 135 prehnite 7.51 6.58 -0.93 -0.055 0.20979E+04 136 prehnite-Fe 11.97 10.10 -1.88 -0.113 0.42151E+04 137 pumpellyite-Fe 17.79 14.06 -3.73 -0.083 0.83922E+04 138 pumpellyite-Mg 19.91 17.27 -2.63 -0.058 0.59134E+04 140 px-Ca-tschermaks 6.81 2.46 -4.34 -0.310 0.97612E+04 141 pyrite -19.52 -20.56 -1.04 -0.245 0.23421E+04 142 pyrrhotite -5.47 -7.49 -2.03 -0.676 0.45574E+04 143 pyrrhotiteFe0.875 -6.71 -8.19 -1.48 -0.543 0.33152E+04 144 pyroxmangite 4.90 1.69 -3.20 -0.641 0.71983E+04 145 pyrophyllite -10.96 -13.21 -2.25 -0.141 0.50585E+04 151 rhodochrosite -2.29 -5.74 -3.44 -1.147 0.77357E+04 152 rhodonite 4.92 1.69 -3.22 -0.645 0.72444E+04 153 sanidine -3.55 -4.47 -0.93 -0.071 0.20860E+04 155 siderite -4.02 -6.86 -2.84 -0.948 0.63916E+04 156 sillimanite -2.94 -6.28 -3.33 -0.333 0.74892E+04 163 stilbite -10.33 -11.41 -1.08 -0.051 0.24286E+04 165 stilpnomelane-Mg 11.07 10.24 -0.82 -0.025 0.18475E+04 166 stishovite 2.24 -2.31 -4.55 -1.518 0.10236E+05 168 sudoite 2.18 -2.67 -4.85 -0.156 0.10890E+05 169 sulfur -8.68 -13.07 -4.38 -1.349 0.98537E+04 171 talc 9.82 9.04 -0.78 -0.046 0.17542E+04 173 talc-tschermaks 5.91 1.29 -4.62 -0.272 0.10377E+05 178 topaz-H -2.45 -6.28 -3.83 -0.348 0.85977E+04 179 tridymite -2.09 -2.31 -0.22 -0.073 0.48971E+03 180 tremolite 30.50 29.46 -1.03 -0.028 0.23192E+04 182 troilite-low -5.51 -7.49 -1.98 -0.661 0.44542E+04 188 wairakite -3.95 -4.47 -0.52 -0.031 0.11712E+04 189 walstromite 8.28 6.43 -1.85 -0.370 0.41613E+04 190 wollastonite 7.50 6.43 -1.07 -0.214 0.23998E+04 191 pseudo-wollastonite 7.84 6.43 -1.42 -0.283 0.31850E+04 192 zoisite 6.47 4.60 -1.87 -0.085 0.42027E+04 193 beidellite-Ca -8.77 -11.66 -2.89 -0.179 0.65037E+04 194 beidellite-H -9.15 -13.10 -3.95 -0.252 0.88784E+04 195 beidellite-K -8.23 -11.64 -3.41 -0.209 0.76568E+04 196 beidellite-Mg -8.99 -12.10 -3.10 -0.192 0.69767E+04 197 beidellite-Na -8.17 -11.35 -3.18 -0.195 0.71475E+04 200 chalcedony -2.17 -2.31 -0.14 -0.048 0.32106E+03 201 chalcocite -21.37 -22.75 -1.38 -0.346 0.31063E+04 202 covellite -15.91 -17.91 -2.00 -0.761 0.44873E+04 204 montmorillonite-Ca -7.40 -9.11 -1.71 -0.106 0.38446E+04 205 montmorillonite-K -6.97 -9.08 -2.11 -0.129 0.47441E+04 206 montmorillonite-Mg -7.65 -9.54 -1.89 -0.117 0.42580E+04 207 montmorillonite-Na -6.83 -8.79 -1.96 -0.120 0.43999E+04 209 nontronite-Ca -0.66 -4.63 -3.97 -0.258 0.89268E+04 211 nontronite-K -0.12 -4.60 -4.48 -0.288 0.10079E+05 212 nontronite-Mg -0.88 -5.06 -4.19 -0.272 0.94072E+04 213 nontronite-Na -0.05 -4.31 -4.26 -0.273 0.95730E+04 229 tobermorite 8.41 4.97 -3.44 -0.938 0.77264E+04 235 alabandite -2.64 -6.37 -3.73 -1.243 0.83806E+04 240 boehmite 0.15 -1.98 -2.13 -0.355 0.47812E+04 242 chalcopyrite -24.74 -25.40 -0.66 -0.123 0.14848E+04 245 copper,native -1.32 -4.84 -3.52 -1.224 0.79101E+04 246 dolomite,disordered -2.60 -4.65 -2.04 -0.341 0.45915E+04 247 ferrous-oxide 6.18 2.88 -3.30 -0.824 0.74074E+04 248 fluorite -11.03 -12.54 -1.51 -0.502 0.33873E+04 257 silica-amorphous -1.74 -2.31 -0.58 -0.192 0.12925E+04 260 sphalerite -10.00 -10.57 -0.56 -0.188 0.12688E+04 261 wurtzite -8.61 -10.57 -1.95 -0.651 0.43917E+04 263 an20ab80 -2.36 -2.84 -0.48 -0.037 0.10837E+04 264 an25ab75 -2.13 -2.65 -0.53 -0.040 0.11805E+04 265 an30ab70 -1.89 -2.47 -0.57 -0.044 0.12899E+04 266 tr.625ac.25prg.125 26.59 25.18 -1.41 -0.038 0.31706E+04 271 FeS-amorphous -3.89 -7.49 -3.61 -1.202 0.81070E+04 Calculations done for 218.0000 Deg. C; 22.4226 bar Enthalpies: Pure water 4.0273 kcal/mole H2O,gas 12.0759 kcal/mole CO2,gas 2.6815 kcal/mole CH4,gas 2.5987 kcal/mole Current solution 188.3414 Gas 108.1892 kcal Total current enthalpy 296.5306 kcal Starting enthalpy 296.5306 kcal Temperature changed by -2.000 degrees to 216.000 degrees C. Solids and gases carried ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ Test file for CHIM-XPT. Boil Broadlands Water Water similar to Broadlands Well No. 2 CHIMRUN demo-2a ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ Number of loops used = 12 Loop limit = 200 Temperature = 216.00 C Pressure = 21.56 bar Mixer fraction = 0.0000000 Total current enthalpy = 296.5306 KCAL Water: Moles liquid = 0.4654E+02 kg liquid = 0.8384E+00 Moles total = 0.5551E+02 kg total = 0.1000E+01 Activity = 0.9999 Stoichiometric ionic strength = .4174294E-01 Osmotic coef. = 0.9110 True ionic strength = .3872708E-01 Chg. balance for total moles = 0.2402E-07 Max. difference allowed = 0.3072E-05 Log Log Log Species(n) Molality Molality Activity Activity Gamma Gamma 1 H+ 0.15260E-06 -6.8165 0.11206E-06 -6.9506 0.73433E+00 -0.1341 2 H2O 0.99993E+00 -0.0000 0.99993E+00 -0.0000 3 Cl- 0.35585E-01 -1.4487 0.25793E-01 -1.5885 0.72481E+00 -0.1398 4 SO4-- 0.20013E-06 -6.6987 0.60237E-07 -7.2201 0.30099E+00 -0.5215 5 HCO3- 0.21775E-02 -2.6620 0.15872E-02 -2.7994 0.72893E+00 -0.1373 6 HS- 0.50415E-03 -3.2974 0.36563E-03 -3.4370 0.72525E+00 -0.1395 7 H4SiO4 0.47674E-02 -2.3217 0.47674E-02 -2.3217 0.10000E+01 0.0000 8 Al+++ 0.25679E-21 -21.5904 0.16910E-22 -22.7719 0.65851E-01 -1.1814 9 Ca++ 0.25366E-04 -4.5957 0.74712E-05 -5.1266 0.29454E+00 -0.5309 10 Mg++ 0.58536E-07 -7.2326 0.16964E-07 -7.7705 0.28981E+00 -0.5379 11 Fe++ 0.32694E-10 -10.4855 0.95130E-11 -11.0217 0.29097E+00 -0.5362 12 K+ 0.44118E-02 -2.3554 0.32207E-02 -2.4920 0.73002E+00 -0.1367 13 Na+ 0.34222E-01 -1.4657 0.24810E-01 -1.6054 0.72499E+00 -0.1397 14 Mn++ 0.48371E-09 -9.3154 0.14116E-09 -9.8503 0.29183E+00 -0.5349 15 Zn++ 0.31719E-13 -13.4987 0.92294E-14 -14.0348 0.29097E+00 -0.5362 16 Cu+ 0.93837E-13 -13.0276 0.68018E-13 -13.1674 0.72485E+00 -0.1398 17 Pb++ 0.53096E-13 -13.2749 0.15795E-13 -13.8015 0.29747E+00 -0.5265 18 Hg++ 0.10712E-34 -34.9701 0.31715E-35 -35.4987 0.29608E+00 -0.5286 19 F- 0.28138E-03 -3.5507 0.20184E-03 -3.6950 0.71730E+00 -0.1443 21 HSiO3- 0.70888E-04 -4.1494 0.51380E-04 -4.2892 0.72481E+00 -0.1398 22 Ca(HSiO3)+ 0.13842E-06 -6.8588 0.10113E-06 -6.9951 0.73056E+00 -0.1363 23 Mg(HSiO3)+ 0.24781E-09 -9.6059 0.18104E-09 -9.7422 0.73056E+00 -0.1363 24 NaHSiO3,aq 0.13985E-04 -4.8543 0.13985E-04 -4.8543 0.10000E+01 0.0000 27 HAlO2,aq 0.80895E-08 -8.0921 0.80895E-08 -8.0921 0.10000E+01 0.0000 28 AlO2- 0.26057E-05 -5.5841 0.18721E-05 -5.7277 0.71847E+00 -0.1436 29 CH4,aq 0.11066E-04 -4.9560 0.10925E-04 -4.9616 0.98728E+00 -0.0056 34 CO,aq 0.32755E-08 -8.4847 0.32755E-08 -8.4847 0.10000E+01 0.0000 35 CO2,aq 0.35168E-02 -2.4539 0.34720E-02 -2.4594 0.98728E+00 -0.0056 36 CO3-2 0.12516E-05 -5.9025 0.37411E-06 -6.4270 0.29891E+00 -0.5245 37 CaCO3,aq 0.12883E-05 -5.8900 0.12883E-05 -5.8900 0.10000E+01 0.0000 38 Ca(HCO3)+ 0.61108E-05 -5.2139 0.44643E-05 -5.3502 0.73056E+00 -0.1363 39 CaCl+ 0.69475E-05 -5.1582 0.50756E-05 -5.2945 0.73056E+00 -0.1363 40 CaCl2,aq 0.65797E-07 -7.1818 0.65797E-07 -7.1818 0.10000E+01 0.0000 41 CaF+ 0.54142E-06 -6.2665 0.39554E-06 -6.4028 0.73056E+00 -0.1363 42 CaOH+ 0.20172E-05 -5.6953 0.14737E-05 -5.8316 0.73056E+00 -0.1363 43 CaSO4,aq 0.19451E-08 -8.7110 0.19451E-08 -8.7110 0.10000E+01 0.0000 44 HCl,aq 0.29525E-08 -8.5298 0.29525E-08 -8.5298 0.10000E+01 0.0000 53 CuCl,aq 0.12432E-10 -10.9055 0.12432E-10 -10.9055 0.10000E+01 0.0000 61 HF,aq 0.24569E-05 -5.6096 0.24569E-05 -5.6096 0.10000E+01 0.0000 62 HF2- 0.21794E-09 -9.6617 0.15797E-09 -9.8014 0.72481E+00 -0.1398 69 FeO,aq 0.15314E-09 -9.8149 0.15314E-09 -9.8149 0.10000E+01 0.0000 70 FeOH+ 0.20873E-09 -9.6804 0.15249E-09 -9.8168 0.73056E+00 -0.1363 71 HFeO2- 0.68867E-10 -10.1620 0.49915E-10 -10.3018 0.72481E+00 -0.1398 74 FeO2- 0.56381E-10 -10.2489 0.40865E-10 -10.3886 0.72481E+00 -0.1398 75 HFeO2,aq 0.21784E-10 -10.6619 0.21784E-10 -10.6619 0.10000E+01 0.0000 76 H2,aq 0.23624E-04 -4.6266 0.23323E-04 -4.6322 0.98728E+00 -0.0056 77 Hg,aq 0.48655E-10 -10.3129 0.48035E-10 -10.3184 0.98728E+00 -0.0056 90 KCl,aq 0.19508E-04 -4.7098 0.19508E-04 -4.7098 0.10000E+01 0.0000 92 KOH,aq 0.42319E-06 -6.3735 0.42319E-06 -6.3735 0.10000E+01 0.0000 93 KSO4- 0.31265E-07 -7.5049 0.22661E-07 -7.6447 0.72481E+00 -0.1398 94 MgCO3,aq 0.37882E-09 -9.4216 0.37882E-09 -9.4216 0.10000E+01 0.0000 95 Mg(HCO3)+ 0.13175E-07 -7.8803 0.96251E-08 -8.0166 0.73056E+00 -0.1363 96 MgCl+ 0.86086E-08 -8.0651 0.62891E-08 -8.2014 0.73056E+00 -0.1363 97 MgF+ 0.35449E-08 -8.4504 0.25898E-08 -8.5867 0.73056E+00 -0.1363 98 MgOH+ 0.15134E-07 -7.8200 0.11057E-07 -7.9564 0.73056E+00 -0.1363 101 MnO,aq 0.68779E-10 -10.1625 0.68779E-10 -10.1625 0.10000E+01 0.0000 102 MnOH+ 0.43128E-09 -9.3652 0.31508E-09 -9.5016 0.73056E+00 -0.1363 107 MnCl+ 0.13315E-08 -8.8757 0.97271E-09 -9.0120 0.73056E+00 -0.1363 109 NaCl,aq 0.10284E-02 -2.9879 0.10284E-02 -2.9879 0.10000E+01 0.0000 110 NaF,aq 0.64406E-05 -5.1911 0.64406E-05 -5.1911 0.10000E+01 0.0000 111 NaOH,aq 0.22184E-05 -5.6540 0.22184E-05 -5.6540 0.10000E+01 0.0000 113 OH- 0.74517E-04 -4.1277 0.53538E-04 -4.2713 0.71847E+00 -0.1436 122 PbO,aq 0.12033E-10 -10.9196 0.12033E-10 -10.9196 0.10000E+01 0.0000 124 Pb(HS)2,aq 0.72140E-08 -8.1418 0.72140E-08 -8.1418 0.10000E+01 0.0000 125 Pb(HS)3- 0.98051E-10 -10.0085 0.71068E-10 -10.1483 0.72481E+00 -0.1398 126 H2S,aq 0.34019E-03 -3.4683 0.33586E-03 -3.4738 0.98728E+00 -0.0056 127 S2-2 0.12770E-09 -9.8938 0.38171E-10 -10.4183 0.29891E+00 -0.5245 135 HSO4- 0.47795E-09 -9.3206 0.35014E-09 -9.4558 0.73257E+00 -0.1351 153 ZnO,aq 0.15664E-10 -10.8051 0.15664E-10 -10.8051 0.10000E+01 0.0000 154 ZnOH+ 0.19472E-09 -9.7106 0.14226E-09 -9.8469 0.73056E+00 -0.1363 164 Cu(HS)2- 0.50120E-07 -7.3000 0.36327E-07 -7.4398 0.72481E+00 -0.1398 166 CuH4S3-b 0.11830E-09 -9.9270 0.85743E-10 -10.0668 0.72481E+00 -0.1398 179 MgSO4,aq 0.15357E-10 -10.8137 0.15357E-10 -10.8137 0.10000E+01 0.0000 180 MnCl2,aq 0.45028E-09 -9.3465 0.45028E-09 -9.3465 0.10000E+01 0.0000 181 MnCl3- 0.75515E-10 -10.1220 0.54734E-10 -10.2617 0.72481E+00 -0.1398 182 MnCO3,aq 0.38475E-09 -9.4148 0.38475E-09 -9.4148 0.10000E+01 0.0000 183 NaCO3- 0.64287E-06 -6.1919 0.46596E-06 -6.3317 0.72481E+00 -0.1398 184 NaHCO3,aq 0.57270E-04 -4.2421 0.57270E-04 -4.2421 0.10000E+01 0.0000 185 NaHS,aq 0.13193E-04 -4.8797 0.13193E-04 -4.8797 0.10000E+01 0.0000 186 NaSO4- 0.59471E-07 -7.2257 0.43105E-07 -7.3655 0.72481E+00 -0.1398 187 PbCO3,aq 0.38355E-09 -9.4162 0.38355E-09 -9.4162 0.10000E+01 0.0000 188 PbOH+ 0.45602E-10 -10.3410 0.33315E-10 -10.4774 0.73056E+00 -0.1363 193 Zn(HS)2,aq 0.17645E-07 -7.7534 0.17645E-07 -7.7534 0.10000E+01 0.0000 194 Zn(HS)3- 0.38499E-09 -9.4146 0.27904E-09 -9.5543 0.72481E+00 -0.1398 Charge balance for all species = 0.2865E-07 Component Molality Aq.molality ppm log[A(N)/A(H+)**Z] (total) 1 H+ 0.1525974E-06 0.3675835E-02 0.3693656E+01 0.0000 2 H2O 0.1000000E+01 0.5550477E+02 0.9968679E+06 0.0000 3 Cl- 0.3558549E-01 0.3664045E-01 0.1295029E+04 5.3621 4 SO4-- 0.2001314E-06 -.1667959E-04 -.1597353E+01 6.6810 5 HCO3- 0.2177463E-02 0.5771881E-02 0.3511037E+03 4.1512 6 HS- 0.5041517E-03 0.8746600E-03 0.2883803E+02 3.5136 7 H4SiO4 0.4767399E-02 0.4852411E-02 0.4649609E+03 -2.3217 8 Al+++ 0.2567933E-21 0.2613791E-05 0.7030768E-01 -1.9202 9 Ca++ 0.2536599E-04 0.4247740E-04 0.1697187E+01 8.7745 10 Mg++ 0.5853618E-07 0.9964117E-07 0.2415045E-02 6.1307 11 Fe++ 0.3269395E-10 0.5490521E-09 0.3056886E-04 2.8794 12 K+ 0.4411814E-02 0.4431777E-02 0.1727598E+03 4.4585 13 Na+ 0.3422160E-01 0.3534377E-01 0.8100537E+03 5.3452 14 Mn++ 0.4837136E-09 0.3233413E-08 0.1770924E-03 4.0508 15 Zn++ 0.3171931E-13 0.1824856E-07 0.1189249E-02 -0.1337 16 Cu+ 0.9383693E-13 0.5026100E-07 0.3183788E-02 -6.2168 17 Pb++ 0.5309599E-13 0.7757173E-08 0.1602279E-02 0.0996 18 Hg++ 0.1071153E-34 0.4906872E-10 0.9812504E-05 -21.5976 19 F- 0.2813818E-03 0.2908248E-03 0.5508142E+01 3.2556 Component Tot moles Aq. moles Solid moles Gas moles 1 H+ 0.1822172E+00 0.3081901E-02 -.5139863E-06 0.1791358E+00 2 H2O 0.5550825E+02 0.4653643E+02 -.7573581E-02 0.8979395E+01 3 Cl- 0.3072017E-01 0.3072017E-01 0.0000000E+00 0.5433451E-09 4 SO4-- -.4257700E-02 -.1398454E-04 0.5058540E-09 -.4243716E-02 5 HCO3- 0.1832100E+00 0.4839273E-02 0.0000000E+00 0.1783707E+00 6 HS- 0.9985820E-02 0.7333344E-03 0.2027769E-07 0.9252465E-02 7 H4SiO4 0.7855346E-02 0.4068370E-02 0.3786976E-02 0.0000000E+00 8 Al+++ 0.2253680E-05 0.2191461E-05 0.6221943E-07 0.0000000E+00 9 Ca++ 0.3561400E-04 0.3561400E-04 0.0000000E+00 0.0000000E+00 10 Mg++ 0.2355503E-06 0.8354137E-07 0.1520089E-06 0.0000000E+00 11 Fe++ 0.8017372E-08 0.4603375E-09 0.7557035E-08 0.0000000E+00 12 K+ 0.3715700E-02 0.3715700E-02 0.0000000E+00 0.0000000E+00 13 Na+ 0.2963300E-01 0.2963300E-01 0.0000000E+00 0.0000000E+00 14 Mn++ 0.2740424E-08 0.2710966E-08 0.2945818E-10 0.0000000E+00 15 Zn++ 0.1530000E-07 0.1530000E-07 0.0000000E+00 0.0000000E+00 16 Cu+ 0.6237410E-07 0.4213994E-07 0.2023416E-07 0.0000000E+00 17 Pb++ 0.1110000E-07 0.6503787E-08 0.4596213E-08 0.0000000E+00 18 Hg++ 0.4000000E-08 0.4114031E-10 0.0000000E+00 0.3958860E-08 19 F- 0.2439100E-03 0.2438340E-03 0.0000000E+00 0.7604337E-07 Chg. balance for solid moles: 0.4168E-16 Mass of aqueous solution: 0.841002E+03 g Temperature = 216.00 C Pressure = 21.56 bar Mixer frac. = 0.0000000 Log Log Vol Gas or mineral Moles Moles Grams Grams Wt.% (cm3) H2O,gas 9.146 0.961 164.7 2.217 95.39 0.1523E+05 CO2,gas 0.1755 -0.756 7.726 0.888 4.474 344.6 CH4,gas 0.2829E-02 -2.548 0.4538E-01 -1.343 0.2628E-01 5.931 H2,gas 0.5658E-02 -2.247 0.1143E-01 -1.942 0.6619E-02 10.77 H2S,gas 0.5009E-02 -2.300 0.1707 -0.768 0.9885E-01 9.093 CO,gas 0.7289E-06 -6.137 0.2042E-04 -4.690 0.1182E-04 0.1375E-02 SO2,gas 0.7901E-13 -13.102 0.5061E-11 -11.296 0.2931E-11 0.1491E-09 HF,gas 0.7604E-07 -7.119 0.1521E-05 -5.818 0.8807E-06 0.1435E-03 HCl,gas 0.5433E-09 -9.265 0.1981E-07 -7.703 0.1147E-07 0.1025E-05 Hg,gas 0.3959E-08 -8.402 0.7941E-06 -6.100 0.4599E-06 0.7469E-05 clinochlore 0.3040E-07 -7.517 0.1690E-04 -4.772 0.7427E-02 0.6428E-05 daphnite 0.7020E-09 -9.154 0.5009E-06 -6.300 0.2201E-03 0.1518E-06 chlorite-Mn 0.5892E-11 -11.230 0.4177E-08 -8.379 0.1836E-05 0.1331E-08 quartz 0.3787E-02 -2.422 0.2275 -0.643 99.99 0.8592E-01 bornite 0.4047E-08 -8.393 0.2031E-05 -5.692 0.8925E-03 0.3995E-06 galena 0.4596E-08 -8.338 0.1100E-05 -5.959 0.4833E-03 0.1447E-06 Partial press. Fugacity coef Log fugacity Gas or Mineral Mole fraction or activity Activity coef Log activity H2O,gas 0.9798E+00 0.2112E+02 0.8969 1.277 CO2,gas 0.1880E-01 0.4054E+00 1.0139 -0.386 CH4,gas 0.3030E-03 0.6533E-02 1.1006 -2.143 H2,gas 0.6061E-03 0.1307E-01 1.0088 -1.880 H2S,gas 0.5365E-03 0.1157E-01 0.9624 -1.953 CO,gas 0.7808E-07 0.1683E-05 1.0000 -5.774 SO2,gas 0.8463E-14 0.1824E-12 1.0000 -12.739 HF,gas 0.8146E-08 0.1756E-06 1.0000 -6.755 HCl,gas 0.5820E-10 0.1255E-08 1.0000 -8.901 Hg,gas 0.4241E-09 0.9142E-08 1.0000 -8.039 clinochlore 0.9772E+00 0.9772E+00 1.0000 -0.010 daphnite 0.2257E-01 0.2257E-01 1.0000 -1.647 chlorite-Mn 0.1894E-03 0.1894E-03 1.0000 -3.723 quartz 0.1000E+01 0.1000E+01 1.0000 0.000 bornite 0.1000E+01 0.1000E+01 1.0000 0.000 galena 0.1000E+01 0.1000E+01 1.0000 0.000 Current weight percent of gas: 17.031160 % Solid products produced: Mass = 0.227536 g Volume = 0.085927 cm3 WARNING: mineral volume may be in error because some mineral densities were not supplied in SOLTHERM. See mineral list in file Skip_Species.txt. NON-Ideal mixing with H2O, CO2, CH4 Gases ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ The following gases and minerals are presently in matrix or were just added Gas or Mineral Log K Log Q Log(Q/K) Log(Q/K)/S Affinity Log Fugacity 1 H2O,gas 0.06 0.06 -0.00 -0.000 0.78306E-09 2 CO2,gas -8.03 -8.03 0.00 0.000 -0.27037E-09 3 CH4,gas 4.46 4.46 0.00 0.000 -0.74351E-09 4 H2,gas 5.90 5.90 0.00 0.000 -0.59639E-10 5 H2S,gas -7.10 -7.10 -0.00 -0.000 0.24651E-09 6 CO,gas 0.04 0.04 -0.00 -0.000 0.19880E-11 7 SO2,gas -4.37 -4.37 -0.00 -0.000 0.19880E-11 8 HF,gas -2.56 -2.56 0.00 0.000 -0.19880E-11 9 HCl,gas 1.70 1.70 0.00 0.000 -0.14910E-11 10 Hg,gas -9.54 -9.54 0.00 0.000 -0.79519E-11 43 clinochlore 19.90 19.90 0.00 0.000 -0.79519E-11 44 daphnite 11.82 11.82 0.00 0.000 -0.19880E-10 45 chlorite-Mn 28.06 28.06 -0.00 -0.000 0.79519E-11 146 quartz -2.32 -2.32 -0.00 -0.000 0.99399E-12 198 bornite -71.10 -71.10 0.00 0.000 0.00000E+00 249 galena -10.29 -10.29 0.00 0.000 -0.79519E-11 115 microcline -4.44 -4.43 0.01 0.001 -0.24961E+02 The following gases and minerals are presently EXCLUDED from matrix (Gases and minerals with log(Q/K) less than -5 are not listed below) Gas or Mineral Log K Log Q Log(Q/K) Log(Q/K)/S Affinity Log Fugacity 11 acmite 5.43 2.24 -3.19 -0.332 0.71491E+04 15 albite-high -2.52 -3.54 -1.02 -0.079 0.22851E+04 16 albite -3.13 -3.54 -0.41 -0.031 0.91629E+03 20 analcite -0.09 -1.22 -1.13 -0.126 0.25334E+04 21 andalusite -2.99 -6.16 -3.17 -0.317 0.70894E+04 22 andradite 26.26 22.43 -3.83 -0.199 0.85680E+04 23 grossular 17.44 15.52 -1.92 -0.096 0.43086E+04 24 anhydrite -7.62 -12.35 -4.73 -2.363 0.10576E+05 25 ankerite -5.07 -7.85 -2.78 -0.463 0.62158E+04 27 phlogopite 15.38 13.97 -1.41 -0.078 0.31607E+04 29 anorthite 2.12 0.29 -1.83 -0.141 0.40931E+04 32 aragonite -0.64 -0.98 -0.34 -0.113 0.76079E+03 33 brucite 9.02 6.13 -2.89 -0.578 0.64725E+04 34 calcite -0.79 -0.98 -0.19 -0.062 0.41753E+03 35 carnegieite-low 4.19 1.10 -3.09 -0.441 0.69132E+04 36 carnegieite-high 4.81 1.10 -3.71 -0.530 0.83068E+04 37 carpholite-Mg -0.12 -2.35 -2.24 -0.149 0.50077E+04 38 carpholite-Fe -1.62 -5.60 -3.99 -0.266 0.89218E+04 39 celadonite 1.28 -0.62 -1.90 -0.111 0.42418E+04 40 celadonite-Fe -0.03 -3.87 -3.84 -0.226 0.85944E+04 41 chrysotile 16.11 13.75 -2.36 -0.196 0.52747E+04 46 chlorite-Al-free 31.86 27.50 -4.36 -0.182 0.97654E+04 47 chloritoid-Mg 2.88 -0.03 -2.91 -0.194 0.65228E+04 48 chloritoid-Fe -0.13 -3.28 -3.15 -0.210 0.70566E+04 49 chloritoid-Mn 2.08 -2.11 -4.19 -0.279 0.93831E+04 51 coesite -1.83 -2.32 -0.49 -0.163 0.10918E+04 56 corundum -0.37 -3.84 -3.47 -0.316 0.77702E+04 58 cristobalite -2.07 -2.32 -0.25 -0.083 0.55648E+03 61 cymrite-K -1.09 -4.43 -3.34 -0.278 0.74699E+04 63 diaspore -0.77 -1.92 -1.16 -0.193 0.25855E+04 64 diamond -2.02 -4.38 -2.37 -0.676 0.52969E+04 65 diopside 10.83 10.26 -0.57 -0.057 0.12783E+04 66 hedenbergite 9.23 7.01 -2.22 -0.222 0.49660E+04 67 dolomite,ordered -2.93 -4.59 -1.67 -0.278 0.37279E+04 68 eastonite 10.76 6.32 -4.44 -0.171 0.99434E+04 69 enstatite 10.89 7.62 -3.28 -0.328 0.73311E+04 70 clinoenstatite-HiP 11.73 7.62 -4.12 -0.412 0.92124E+04 71 clinoenstatite 10.82 7.62 -3.20 -0.320 0.71701E+04 72 protoenstatite 11.26 7.62 -3.65 -0.365 0.81585E+04 73 epidote 10.25 8.28 -1.97 -0.096 0.44101E+04 74 clinozoisite 6.66 4.82 -1.83 -0.083 0.41013E+04 75 epidote-Fe 16.42 11.74 -4.68 -0.243 0.10475E+05 76 fayalite 8.34 3.44 -4.90 -0.700 0.10972E+05 78 forsterite 13.76 9.94 -3.82 -0.545 0.85429E+04 81 gibbsite 0.55 -1.92 -2.47 -0.353 0.55337E+04 82 glaucophane 10.07 6.67 -3.41 -0.092 0.76226E+04 84 goethite 3.97 1.54 -2.43 -0.525 0.54341E+04 85 graphite -2.41 -4.38 -1.98 -0.565 0.44261E+04 88 halite 1.15 -3.19 -4.34 -2.172 0.97227E+04 89 hematite 7.16 3.08 -4.08 -0.495 0.91407E+04 90 heulandite -10.90 -11.32 -0.42 -0.019 0.93614E+03 94 jadeite 0.82 -1.22 -2.04 -0.204 0.45555E+04 96 kalsilite 3.26 0.22 -3.04 -0.435 0.68112E+04 97 kaolinite -6.58 -8.48 -1.91 -0.173 0.42682E+04 98 kyanite -2.97 -6.16 -3.19 -0.319 0.71412E+04 100 laumontite -3.71 -4.35 -0.64 -0.043 0.14301E+04 101 lawsonite 1.49 0.29 -1.20 -0.080 0.26918E+04 102 leucite 0.34 -2.11 -2.44 -0.244 0.54688E+04 104 lizardite 15.77 13.75 -2.02 -0.168 0.45255E+04 105 magnesite -1.44 -3.62 -2.18 -0.727 0.48806E+04 108 minnesotaite-Mg 12.98 9.11 -3.88 -0.228 0.86779E+04 112 margarite -0.24 -3.55 -3.31 -0.132 0.74005E+04 116 monticellite 17.00 12.58 -4.42 -0.631 0.98900E+04 118 mullite-Si -1.38 -6.16 -4.78 -0.478 0.10710E+05 119 muscovite -6.66 -8.27 -1.61 -0.095 0.36032E+04 120 paragonite -5.58 -7.38 -1.80 -0.106 0.40240E+04 121 nepheline 3.64 1.10 -2.54 -0.363 0.56802E+04 127 periclase-Fe 7.65 2.88 -4.77 -1.194 0.10687E+05 133 phlogopite-Na 17.06 14.85 -2.21 -0.123 0.49489E+04 135 prehnite 7.68 6.74 -0.93 -0.055 0.20875E+04 136 prehnite-Fe 12.12 10.20 -1.91 -0.115 0.42857E+04 137 pumpellyite-Fe 18.19 14.45 -3.74 -0.083 0.83690E+04 138 pumpellyite-Mg 20.31 17.70 -2.61 -0.058 0.58386E+04 140 px-Ca-tschermaks 6.97 2.61 -4.36 -0.311 0.97536E+04 141 pyrite -19.52 -20.58 -1.06 -0.249 0.23648E+04 142 pyrrhotite -5.44 -7.51 -2.07 -0.689 0.46239E+04 143 pyrrhotiteFe0.875 -6.70 -8.20 -1.51 -0.554 0.33699E+04 144 pyroxmangite 4.93 1.73 -3.20 -0.640 0.71644E+04 145 pyrophyllite -10.89 -13.13 -2.23 -0.140 0.49977E+04 151 rhodochrosite -2.27 -5.70 -3.43 -1.143 0.76762E+04 152 rhodonite 4.95 1.73 -3.22 -0.644 0.72112E+04 153 sanidine -3.51 -4.43 -0.91 -0.070 0.20423E+04 155 siderite -3.99 -6.87 -2.88 -0.960 0.64434E+04 156 sillimanite -2.83 -6.16 -3.33 -0.333 0.74599E+04 163 stilbite -10.29 -11.32 -1.03 -0.049 0.22970E+04 165 stilpnomelane-Mg 11.28 10.47 -0.82 -0.024 0.18244E+04 166 stishovite 2.25 -2.32 -4.57 -1.523 0.10228E+05 168 sudoite 2.44 -2.38 -4.82 -0.156 0.10793E+05 169 sulfur -8.68 -13.07 -4.39 -1.352 0.98319E+04 171 talc 9.91 9.11 -0.80 -0.047 0.17980E+04 173 talc-tschermaks 6.09 1.46 -4.63 -0.273 0.10371E+05 178 topaz-H -2.35 -6.16 -3.81 -0.346 0.85295E+04 179 tridymite -2.10 -2.32 -0.22 -0.073 0.49216E+03 180 tremolite 30.73 29.63 -1.10 -0.030 0.24568E+04 182 troilite-low -5.49 -7.51 -2.02 -0.673 0.45179E+04 188 wairakite -3.84 -4.35 -0.51 -0.030 0.11406E+04 189 walstromite 8.32 6.45 -1.87 -0.374 0.41843E+04 190 wollastonite 7.54 6.45 -1.08 -0.216 0.24222E+04 191 pseudo-wollastonite 7.89 6.45 -1.43 -0.287 0.32097E+04 192 zoisite 6.69 4.82 -1.87 -0.085 0.41878E+04 193 beidellite-Ca -8.67 -11.55 -2.88 -0.178 0.64436E+04 194 beidellite-H -9.06 -12.99 -3.94 -0.251 0.88118E+04 195 beidellite-K -8.14 -11.52 -3.39 -0.207 0.75818E+04 196 beidellite-Mg -8.89 -11.98 -3.09 -0.191 0.69171E+04 197 beidellite-Na -8.07 -11.23 -3.16 -0.194 0.70769E+04 200 chalcedony -2.18 -2.32 -0.14 -0.048 0.32098E+03 201 chalcocite -21.44 -22.82 -1.38 -0.345 0.30843E+04 202 covellite -15.95 -17.95 -1.99 -0.759 0.44578E+04 204 montmorillonite-Ca -7.32 -9.02 -1.70 -0.105 0.38034E+04 205 montmorillonite-K -6.90 -9.00 -2.10 -0.128 0.46911E+04 206 montmorillonite-Mg -7.57 -9.46 -1.88 -0.117 0.42171E+04 207 montmorillonite-Na -6.76 -8.71 -1.94 -0.119 0.43484E+04 209 nontronite-Ca -0.60 -4.63 -4.03 -0.261 0.90199E+04 211 nontronite-K -0.07 -4.61 -4.54 -0.291 0.10157E+05 212 nontronite-Mg -0.82 -5.07 -4.24 -0.275 0.95009E+04 213 nontronite-Na -0.00 -4.31 -4.31 -0.277 0.96557E+04 229 tobermorite 8.42 4.99 -3.44 -0.938 0.76922E+04 235 alabandite -2.61 -6.34 -3.73 -1.242 0.83415E+04 240 boehmite 0.20 -1.92 -2.12 -0.354 0.47560E+04 242 chalcopyrite -24.77 -25.45 -0.68 -0.127 0.15221E+04 245 copper,native -1.34 -4.88 -3.53 -1.228 0.79014E+04 246 dolomite,disordered -2.54 -4.59 -2.06 -0.343 0.45997E+04 247 ferrous-oxide 6.23 2.88 -3.35 -0.836 0.74890E+04 248 fluorite -11.00 -12.52 -1.52 -0.506 0.33953E+04 257 silica-amorphous -1.74 -2.32 -0.58 -0.193 0.12970E+04 260 sphalerite -10.00 -10.52 -0.52 -0.174 0.11658E+04 261 wurtzite -8.61 -10.52 -1.92 -0.639 0.42887E+04 263 an20ab80 -2.30 -2.77 -0.48 -0.037 0.10652E+04 264 an25ab75 -2.06 -2.58 -0.52 -0.040 0.11638E+04 265 an30ab70 -1.82 -2.39 -0.57 -0.044 0.12749E+04 266 tr.625ac.25prg.125 26.84 25.33 -1.51 -0.041 0.33908E+04 271 FeS-amorphous -3.87 -7.51 -3.63 -1.211 0.81319E+04 ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ Test file for CHIM-XPT. Boil Broadlands Water Water similar to Broadlands Well No. 2 CHIMRUN demo-2a ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ Number of loops used = 6 Loop limit = 200 Temperature = 216.00 C Pressure = 21.56 bar Mixer fraction = 0.0000000 Total current enthalpy = 296.5306 KCAL Water: Moles liquid = 0.4654E+02 kg liquid = 0.8384E+00 Moles total = 0.5551E+02 kg total = 0.1000E+01 Activity = 0.9999 Stoichiometric ionic strength = .4174261E-01 Osmotic coef. = 0.9110 True ionic strength = .3872702E-01 Chg. balance for total moles = 0.2402E-07 Max. difference allowed = 0.3072E-05 Log Log Log Species(n) Molality Molality Activity Activity Gamma Gamma 1 H+ 0.15260E-06 -6.8165 0.11206E-06 -6.9506 0.73433E+00 -0.1341 2 H2O 0.99993E+00 -0.0000 0.99993E+00 -0.0000 3 Cl- 0.35585E-01 -1.4487 0.25793E-01 -1.5885 0.72481E+00 -0.1398 4 SO4-- 0.20013E-06 -6.6987 0.60237E-07 -7.2201 0.30099E+00 -0.5215 5 HCO3- 0.21775E-02 -2.6620 0.15872E-02 -2.7994 0.72893E+00 -0.1373 6 HS- 0.50415E-03 -3.2974 0.36563E-03 -3.4370 0.72525E+00 -0.1395 7 H4SiO4 0.47674E-02 -2.3217 0.47674E-02 -2.3217 0.10000E+01 0.0000 8 Al+++ 0.25029E-21 -21.6016 0.16482E-22 -22.7830 0.65851E-01 -1.1814 9 Ca++ 0.25366E-04 -4.5957 0.74712E-05 -5.1266 0.29454E+00 -0.5309 10 Mg++ 0.59141E-07 -7.2281 0.17140E-07 -7.7660 0.28981E+00 -0.5379 11 Fe++ 0.33019E-10 -10.4812 0.96076E-11 -11.0174 0.29097E+00 -0.5362 12 K+ 0.44117E-02 -2.3554 0.32207E-02 -2.4921 0.73002E+00 -0.1367 13 Na+ 0.34222E-01 -1.4657 0.24810E-01 -1.6054 0.72499E+00 -0.1397 14 Mn++ 0.48380E-09 -9.3153 0.14119E-09 -9.8502 0.29183E+00 -0.5349 15 Zn++ 0.31719E-13 -13.4987 0.92294E-14 -14.0348 0.29097E+00 -0.5362 16 Cu+ 0.93651E-13 -13.0285 0.67883E-13 -13.1682 0.72485E+00 -0.1398 17 Pb++ 0.53096E-13 -13.2749 0.15795E-13 -13.8015 0.29747E+00 -0.5265 18 Hg++ 0.10712E-34 -34.9701 0.31715E-35 -35.4987 0.29608E+00 -0.5286 19 F- 0.28138E-03 -3.5507 0.20184E-03 -3.6950 0.71730E+00 -0.1443 21 HSiO3- 0.70888E-04 -4.1494 0.51381E-04 -4.2892 0.72481E+00 -0.1398 22 Ca(HSiO3)+ 0.13842E-06 -6.8588 0.10113E-06 -6.9951 0.73056E+00 -0.1363 23 Mg(HSiO3)+ 0.25037E-09 -9.6014 0.18291E-09 -9.7378 0.73056E+00 -0.1363 24 NaHSiO3,aq 0.13985E-04 -4.8543 0.13985E-04 -4.8543 0.10000E+01 0.0000 27 HAlO2,aq 0.78845E-08 -8.1032 0.78845E-08 -8.1032 0.10000E+01 0.0000 28 AlO2- 0.25397E-05 -5.5952 0.18247E-05 -5.7388 0.71847E+00 -0.1436 29 CH4,aq 0.11066E-04 -4.9560 0.10925E-04 -4.9616 0.98728E+00 -0.0056 34 CO,aq 0.32755E-08 -8.4847 0.32755E-08 -8.4847 0.10000E+01 0.0000 35 CO2,aq 0.35168E-02 -2.4539 0.34720E-02 -2.4594 0.98728E+00 -0.0056 36 CO3-2 0.12516E-05 -5.9025 0.37411E-06 -6.4270 0.29891E+00 -0.5245 37 CaCO3,aq 0.12883E-05 -5.8900 0.12883E-05 -5.8900 0.10000E+01 0.0000 38 Ca(HCO3)+ 0.61108E-05 -5.2139 0.44643E-05 -5.3502 0.73056E+00 -0.1363 39 CaCl+ 0.69475E-05 -5.1582 0.50756E-05 -5.2945 0.73056E+00 -0.1363 40 CaCl2,aq 0.65797E-07 -7.1818 0.65797E-07 -7.1818 0.10000E+01 0.0000 41 CaF+ 0.54142E-06 -6.2665 0.39554E-06 -6.4028 0.73056E+00 -0.1363 42 CaOH+ 0.20172E-05 -5.6953 0.14737E-05 -5.8316 0.73056E+00 -0.1363 43 CaSO4,aq 0.19451E-08 -8.7110 0.19451E-08 -8.7110 0.10000E+01 0.0000 44 HCl,aq 0.29525E-08 -8.5298 0.29525E-08 -8.5298 0.10000E+01 0.0000 53 CuCl,aq 0.12407E-10 -10.9063 0.12407E-10 -10.9063 0.10000E+01 0.0000 61 HF,aq 0.24569E-05 -5.6096 0.24569E-05 -5.6096 0.10000E+01 0.0000 62 HF2- 0.21794E-09 -9.6617 0.15797E-09 -9.8014 0.72481E+00 -0.1398 69 FeO,aq 0.15466E-09 -9.8106 0.15466E-09 -9.8106 0.10000E+01 0.0000 70 FeOH+ 0.21080E-09 -9.6761 0.15401E-09 -9.8125 0.73056E+00 -0.1363 71 HFeO2- 0.69552E-10 -10.1577 0.50412E-10 -10.2975 0.72481E+00 -0.1398 74 FeO2- 0.56942E-10 -10.2446 0.41272E-10 -10.3843 0.72481E+00 -0.1398 75 HFeO2,aq 0.22001E-10 -10.6576 0.22001E-10 -10.6576 0.10000E+01 0.0000 76 H2,aq 0.23624E-04 -4.6266 0.23323E-04 -4.6322 0.98728E+00 -0.0056 77 Hg,aq 0.48655E-10 -10.3129 0.48035E-10 -10.3184 0.98728E+00 -0.0056 90 KCl,aq 0.19508E-04 -4.7098 0.19508E-04 -4.7098 0.10000E+01 0.0000 92 KOH,aq 0.42318E-06 -6.3735 0.42318E-06 -6.3735 0.10000E+01 0.0000 93 KSO4- 0.31265E-07 -7.5049 0.22661E-07 -7.6447 0.72481E+00 -0.1398 94 MgCO3,aq 0.38274E-09 -9.4171 0.38274E-09 -9.4171 0.10000E+01 0.0000 95 Mg(HCO3)+ 0.13311E-07 -7.8758 0.97245E-08 -8.0121 0.73056E+00 -0.1363 96 MgCl+ 0.86975E-08 -8.0606 0.63541E-08 -8.1969 0.73056E+00 -0.1363 97 MgF+ 0.35815E-08 -8.4459 0.26165E-08 -8.5823 0.73056E+00 -0.1363 98 MgOH+ 0.15291E-07 -7.8156 0.11171E-07 -7.9519 0.73056E+00 -0.1363 101 MnO,aq 0.68791E-10 -10.1625 0.68791E-10 -10.1625 0.10000E+01 0.0000 102 MnOH+ 0.43135E-09 -9.3652 0.31513E-09 -9.5015 0.73056E+00 -0.1363 107 MnCl+ 0.13317E-08 -8.8756 0.97288E-09 -9.0119 0.73056E+00 -0.1363 109 NaCl,aq 0.10284E-02 -2.9879 0.10284E-02 -2.9879 0.10000E+01 0.0000 110 NaF,aq 0.64406E-05 -5.1911 0.64406E-05 -5.1911 0.10000E+01 0.0000 111 NaOH,aq 0.22184E-05 -5.6540 0.22184E-05 -5.6540 0.10000E+01 0.0000 113 OH- 0.74517E-04 -4.1277 0.53538E-04 -4.2713 0.71847E+00 -0.1436 122 PbO,aq 0.12033E-10 -10.9196 0.12033E-10 -10.9196 0.10000E+01 0.0000 124 Pb(HS)2,aq 0.72140E-08 -8.1418 0.72140E-08 -8.1418 0.10000E+01 0.0000 125 Pb(HS)3- 0.98051E-10 -10.0085 0.71068E-10 -10.1483 0.72481E+00 -0.1398 126 H2S,aq 0.34019E-03 -3.4683 0.33586E-03 -3.4738 0.98728E+00 -0.0056 127 S2-2 0.12770E-09 -9.8938 0.38171E-10 -10.4183 0.29891E+00 -0.5245 135 HSO4- 0.47795E-09 -9.3206 0.35014E-09 -9.4558 0.73257E+00 -0.1351 153 ZnO,aq 0.15664E-10 -10.8051 0.15664E-10 -10.8051 0.10000E+01 0.0000 154 ZnOH+ 0.19472E-09 -9.7106 0.14226E-09 -9.8469 0.73056E+00 -0.1363 164 Cu(HS)2- 0.50021E-07 -7.3008 0.36256E-07 -7.4406 0.72481E+00 -0.1398 166 CuH4S3-b 0.11806E-09 -9.9279 0.85574E-10 -10.0677 0.72481E+00 -0.1398 179 MgSO4,aq 0.15515E-10 -10.8092 0.15515E-10 -10.8092 0.10000E+01 0.0000 180 MnCl2,aq 0.45036E-09 -9.3464 0.45036E-09 -9.3464 0.10000E+01 0.0000 181 MnCl3- 0.75528E-10 -10.1219 0.54744E-10 -10.2617 0.72481E+00 -0.1398 182 MnCO3,aq 0.38482E-09 -9.4147 0.38482E-09 -9.4147 0.10000E+01 0.0000 183 NaCO3- 0.64287E-06 -6.1919 0.46596E-06 -6.3317 0.72481E+00 -0.1398 184 NaHCO3,aq 0.57270E-04 -4.2421 0.57270E-04 -4.2421 0.10000E+01 0.0000 185 NaHS,aq 0.13193E-04 -4.8797 0.13193E-04 -4.8797 0.10000E+01 0.0000 186 NaSO4- 0.59471E-07 -7.2257 0.43105E-07 -7.3655 0.72481E+00 -0.1398 187 PbCO3,aq 0.38355E-09 -9.4162 0.38355E-09 -9.4162 0.10000E+01 0.0000 188 PbOH+ 0.45602E-10 -10.3410 0.33315E-10 -10.4774 0.73056E+00 -0.1363 193 Zn(HS)2,aq 0.17645E-07 -7.7534 0.17645E-07 -7.7534 0.10000E+01 0.0000 194 Zn(HS)3- 0.38499E-09 -9.4146 0.27904E-09 -9.5543 0.72481E+00 -0.1398 Charge balance for all species = 0.2865E-07 Component Molality Aq.molality ppm log[A(N)/A(H+)**Z] (total) 1 H+ 0.1525973E-06 0.3676099E-02 0.3693921E+01 0.0000 2 H2O 0.1000000E+01 0.5550477E+02 0.9968679E+06 0.0000 3 Cl- 0.3558549E-01 0.3664045E-01 0.1295029E+04 5.3621 4 SO4-- 0.2001315E-06 -.1667959E-04 -.1597353E+01 6.6810 5 HCO3- 0.2177464E-02 0.5771882E-02 0.3511038E+03 4.1512 6 HS- 0.5041519E-03 0.8746599E-03 0.2883802E+02 3.5136 7 H4SiO4 0.4767399E-02 0.4852411E-02 0.4649609E+03 -2.3217 8 Al+++ 0.2502860E-21 0.2547566E-05 0.6852631E-01 -1.9313 9 Ca++ 0.2536598E-04 0.4247740E-04 0.1697187E+01 8.7745 10 Mg++ 0.5914067E-07 0.1006702E-06 0.2439987E-02 6.1351 11 Fe++ 0.3301909E-10 0.5545133E-09 0.3087291E-04 2.8837 12 K+ 0.4411748E-02 0.4431710E-02 0.1727572E+03 4.4585 13 Na+ 0.3422160E-01 0.3534377E-01 0.8100538E+03 5.3452 14 Mn++ 0.4837955E-09 0.3233964E-08 0.1771225E-03 4.0509 15 Zn++ 0.3171924E-13 0.1824856E-07 0.1189249E-02 -0.1337 16 Cu+ 0.9365128E-13 0.5016162E-07 0.3177493E-02 -6.2177 17 Pb++ 0.5309588E-13 0.7757173E-08 0.1602279E-02 0.0996 18 Hg++ 0.1071151E-34 0.4906872E-10 0.9812503E-05 -21.5976 19 F- 0.2813818E-03 0.2908248E-03 0.5508142E+01 3.2556 Component Tot moles Aq. moles Solid moles Gas moles 1 H+ 0.1822172E+00 0.3082123E-02 -.7347183E-06 0.1791358E+00 2 H2O 0.5550825E+02 0.4653643E+02 -.7573471E-02 0.8979395E+01 3 Cl- 0.3072017E-01 0.3072017E-01 0.0000000E+00 0.5433449E-09 4 SO4-- -.4257700E-02 -.1398454E-04 0.5079370E-09 -.4243716E-02 5 HCO3- 0.1832100E+00 0.4839274E-02 0.0000000E+00 0.1783707E+00 6 HS- 0.9985820E-02 0.7333343E-03 0.2034226E-07 0.9252465E-02 7 H4SiO4 0.7855346E-02 0.4068370E-02 0.3786976E-02 0.0000000E+00 8 Al+++ 0.2253680E-05 0.2135936E-05 0.1177442E-06 0.0000000E+00 9 Ca++ 0.3561400E-04 0.3561400E-04 0.0000000E+00 0.0000000E+00 10 Mg++ 0.2355503E-06 0.8440413E-07 0.1511461E-06 0.0000000E+00 11 Fe++ 0.8017372E-08 0.4649162E-09 0.7552456E-08 0.0000000E+00 12 K+ 0.3715700E-02 0.3715644E-02 0.5587859E-07 0.0000000E+00 13 Na+ 0.2963300E-01 0.2963300E-01 0.0000000E+00 0.0000000E+00 14 Mn++ 0.2740424E-08 0.2711427E-08 0.2899650E-10 0.0000000E+00 15 Zn++ 0.1530000E-07 0.1530000E-07 0.0000000E+00 0.0000000E+00 16 Cu+ 0.6237410E-07 0.4205662E-07 0.2031748E-07 0.0000000E+00 17 Pb++ 0.1110000E-07 0.6503787E-08 0.4596213E-08 0.0000000E+00 18 Hg++ 0.4000000E-08 0.4114031E-10 0.0000000E+00 0.3958860E-08 19 F- 0.2439100E-03 0.2438340E-03 0.0000000E+00 0.7604333E-07 Chg. balance for solid moles: 0.2024E-16 Mass of aqueous solution: 0.841002E+03 g Temperature = 216.00 C Pressure = 21.56 bar Mixer frac. = 0.0000000 Log Log Vol Gas or mineral Moles Moles Grams Grams Wt.% (cm3) H2O,gas 9.146 0.961 164.7 2.217 95.39 0.1523E+05 CO2,gas 0.1755 -0.756 7.726 0.888 4.474 344.6 CH4,gas 0.2829E-02 -2.548 0.4538E-01 -1.343 0.2628E-01 5.931 H2,gas 0.5658E-02 -2.247 0.1143E-01 -1.942 0.6619E-02 10.77 H2S,gas 0.5009E-02 -2.300 0.1707 -0.768 0.9885E-01 9.093 CO,gas 0.7289E-06 -6.137 0.2042E-04 -4.690 0.1182E-04 0.1375E-02 SO2,gas 0.7901E-13 -13.102 0.5061E-11 -11.296 0.2931E-11 0.1491E-09 HF,gas 0.7604E-07 -7.119 0.1521E-05 -5.818 0.8807E-06 0.1435E-03 HCl,gas 0.5433E-09 -9.265 0.1981E-07 -7.703 0.1147E-07 0.1025E-05 Hg,gas 0.3959E-08 -8.402 0.7941E-06 -6.100 0.4599E-06 0.7469E-05 clinochlore 0.3023E-07 -7.520 0.1680E-04 -4.775 0.7384E-02 0.6391E-05 daphnite 0.6978E-09 -9.156 0.4979E-06 -6.303 0.2188E-03 0.1509E-06 chlorite-Mn 0.5799E-11 -11.237 0.4112E-08 -8.386 0.1807E-05 0.1310E-08 quartz 0.3787E-02 -2.422 0.2275 -0.643 99.98 0.8592E-01 bornite 0.4063E-08 -8.391 0.2039E-05 -5.691 0.8961E-03 0.4012E-06 galena 0.4596E-08 -8.338 0.1100E-05 -5.959 0.4833E-03 0.1447E-06 microcline 0.5588E-07 -7.253 0.1555E-04 -4.808 0.6835E-02 0.6075E-05 Partial press. Fugacity coef Log fugacity Gas or Mineral Mole fraction or activity Activity coef Log activity H2O,gas 0.9798E+00 0.2112E+02 0.8969 1.277 CO2,gas 0.1880E-01 0.4054E+00 1.0139 -0.386 CH4,gas 0.3030E-03 0.6533E-02 1.1006 -2.143 H2,gas 0.6061E-03 0.1307E-01 1.0088 -1.880 H2S,gas 0.5365E-03 0.1157E-01 0.9624 -1.953 CO,gas 0.7808E-07 0.1683E-05 1.0000 -5.774 SO2,gas 0.8463E-14 0.1824E-12 1.0000 -12.739 HF,gas 0.8146E-08 0.1756E-06 1.0000 -6.755 HCl,gas 0.5820E-10 0.1255E-08 1.0000 -8.901 Hg,gas 0.4241E-09 0.9142E-08 1.0000 -8.039 clinochlore 0.9773E+00 0.9773E+00 1.0000 -0.010 daphnite 0.2256E-01 0.2256E-01 1.0000 -1.647 chlorite-Mn 0.1875E-03 0.1875E-03 1.0000 -3.727 quartz 0.1000E+01 0.1000E+01 1.0000 0.000 bornite 0.1000E+01 0.1000E+01 1.0000 0.000 galena 0.1000E+01 0.1000E+01 1.0000 0.000 microcline 0.1000E+01 0.1000E+01 1.0000 0.000 Current weight percent of gas: 17.031160 % Solid products produced: Mass = 0.227542 g Volume = 0.085929 cm3 WARNING: mineral volume may be in error because some mineral densities were not supplied in SOLTHERM. See mineral list in file Skip_Species.txt. NON-Ideal mixing with H2O, CO2, CH4 Gases ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ The following gases and minerals are presently in matrix or were just added Gas or Mineral Log K Log Q Log(Q/K) Log(Q/K)/S Affinity Log Fugacity 1 H2O,gas 0.06 0.06 0.00 0.000 -0.11162E-08 2 CO2,gas -8.03 -8.03 -0.00 -0.000 0.42940E-09 3 CH4,gas 4.46 4.46 -0.00 -0.000 0.11153E-08 4 H2,gas 5.90 5.90 -0.00 -0.000 0.83495E-10 5 H2S,gas -7.10 -7.10 0.00 0.000 -0.35982E-09 6 CO,gas 0.04 0.04 -0.00 -0.000 0.14910E-11 7 SO2,gas -4.37 -4.37 0.00 0.000 0.00000E+00 8 HF,gas -2.56 -2.56 0.00 0.000 -0.39760E-11 9 HCl,gas 1.70 1.70 0.00 0.000 0.00000E+00 10 Hg,gas -9.54 -9.54 -0.00 -0.000 0.39760E-11 43 clinochlore 19.90 19.90 -0.00 -0.000 0.31808E-10 44 daphnite 11.82 11.82 -0.00 -0.000 0.43736E-10 45 chlorite-Mn 28.06 28.06 0.00 0.000 -0.15904E-10 115 microcline -4.44 -4.44 0.00 0.000 -0.79519E-11 146 quartz -2.32 -2.32 0.00 0.000 0.00000E+00 198 bornite -71.10 -71.10 0.00 0.000 0.00000E+00 249 galena -10.29 -10.29 0.00 0.000 0.00000E+00 The following gases and minerals are presently EXCLUDED from matrix (Gases and minerals with log(Q/K) less than -5 are not listed below) Gas or Mineral Log K Log Q Log(Q/K) Log(Q/K)/S Affinity Log Fugacity 11 acmite 5.43 2.24 -3.19 -0.331 0.71395E+04 15 albite-high -2.52 -3.55 -1.03 -0.079 0.23101E+04 16 albite -3.13 -3.55 -0.42 -0.032 0.94123E+03 20 analcite -0.09 -1.23 -1.14 -0.127 0.25584E+04 21 andalusite -2.99 -6.18 -3.19 -0.319 0.71393E+04 22 andradite 26.26 22.44 -3.82 -0.198 0.85488E+04 23 grossular 17.44 15.50 -1.95 -0.097 0.43585E+04 24 anhydrite -7.62 -12.35 -4.73 -2.363 0.10576E+05 25 ankerite -5.07 -7.84 -2.77 -0.462 0.62062E+04 27 phlogopite 15.38 13.97 -1.41 -0.078 0.31557E+04 29 anorthite 2.12 0.27 -1.85 -0.142 0.41430E+04 32 aragonite -0.64 -0.98 -0.34 -0.113 0.76079E+03 33 brucite 9.02 6.14 -2.89 -0.577 0.64625E+04 34 calcite -0.79 -0.98 -0.19 -0.062 0.41753E+03 35 carnegieite-low 4.19 1.09 -3.10 -0.443 0.69382E+04 36 carnegieite-high 4.81 1.09 -3.72 -0.532 0.83317E+04 37 carpholite-Mg -0.12 -2.37 -2.26 -0.150 0.50476E+04 38 carpholite-Fe -1.62 -5.62 -4.00 -0.267 0.89621E+04 39 celadonite 1.28 -0.62 -1.90 -0.112 0.42568E+04 40 celadonite-Fe -0.03 -3.88 -3.85 -0.226 0.86097E+04 41 chrysotile 16.11 13.76 -2.34 -0.195 0.52447E+04 46 chlorite-Al-free 31.86 27.52 -4.34 -0.181 0.97055E+04 47 chloritoid-Mg 2.88 -0.05 -2.93 -0.195 0.65627E+04 48 chloritoid-Fe -0.13 -3.30 -3.17 -0.211 0.70968E+04 49 chloritoid-Mn 2.08 -2.13 -4.21 -0.281 0.94328E+04 51 coesite -1.83 -2.32 -0.49 -0.163 0.10918E+04 56 corundum -0.37 -3.86 -3.49 -0.318 0.78201E+04 58 cristobalite -2.07 -2.32 -0.25 -0.083 0.55648E+03 61 cymrite-K -1.09 -4.44 -3.35 -0.279 0.74949E+04 63 diaspore -0.77 -1.93 -1.17 -0.194 0.26105E+04 64 diamond -2.02 -4.38 -2.37 -0.676 0.52969E+04 65 diopside 10.83 10.27 -0.57 -0.057 0.12683E+04 66 hedenbergite 9.23 7.01 -2.21 -0.221 0.49564E+04 67 dolomite,ordered -2.93 -4.59 -1.66 -0.277 0.37179E+04 68 eastonite 10.76 6.29 -4.47 -0.172 0.99983E+04 69 enstatite 10.89 7.63 -3.27 -0.327 0.73111E+04 70 clinoenstatite-HiP 11.73 7.63 -4.11 -0.411 0.91924E+04 71 clinoenstatite 10.82 7.63 -3.19 -0.319 0.71501E+04 72 protoenstatite 11.26 7.63 -3.64 -0.364 0.81386E+04 73 epidote 10.25 8.26 -1.99 -0.096 0.44504E+04 74 clinozoisite 6.66 4.79 -1.87 -0.085 0.41761E+04 75 epidote-Fe 16.42 11.74 -4.68 -0.243 0.10480E+05 76 fayalite 8.34 3.45 -4.89 -0.699 0.10953E+05 78 forsterite 13.76 9.95 -3.81 -0.544 0.85230E+04 81 gibbsite 0.55 -1.93 -2.48 -0.355 0.55587E+04 82 glaucophane 10.07 6.66 -3.41 -0.092 0.76425E+04 84 goethite 3.97 1.54 -2.42 -0.524 0.54244E+04 85 graphite -2.41 -4.38 -1.98 -0.565 0.44261E+04 88 halite 1.15 -3.19 -4.34 -2.172 0.97227E+04 89 hematite 7.16 3.08 -4.08 -0.494 0.91215E+04 90 heulandite -10.90 -11.34 -0.44 -0.020 0.98603E+03 94 jadeite 0.82 -1.23 -2.05 -0.205 0.45804E+04 96 kalsilite 3.26 0.21 -3.05 -0.436 0.68362E+04 97 kaolinite -6.58 -8.51 -1.93 -0.175 0.43181E+04 98 kyanite -2.97 -6.18 -3.21 -0.321 0.71911E+04 100 laumontite -3.71 -4.37 -0.66 -0.044 0.14800E+04 101 lawsonite 1.49 0.27 -1.22 -0.082 0.27417E+04 102 leucite 0.34 -2.12 -2.45 -0.245 0.54938E+04 104 lizardite 15.77 13.76 -2.01 -0.167 0.44956E+04 105 magnesite -1.44 -3.61 -2.18 -0.725 0.48706E+04 108 minnesotaite-Mg 12.98 9.12 -3.86 -0.227 0.86479E+04 112 margarite -0.24 -3.59 -3.35 -0.134 0.75003E+04 116 monticellite 17.00 12.59 -4.41 -0.631 0.98800E+04 118 mullite-Si -1.38 -6.18 -4.81 -0.481 0.10760E+05 119 muscovite -6.66 -8.30 -1.64 -0.097 0.36780E+04 120 paragonite -5.58 -7.41 -1.83 -0.108 0.40988E+04 121 nepheline 3.64 1.09 -2.55 -0.364 0.57051E+04 127 periclase-Fe 7.65 2.88 -4.77 -1.193 0.10677E+05 133 phlogopite-Na 17.06 14.85 -2.21 -0.123 0.49439E+04 135 prehnite 7.68 6.72 -0.95 -0.056 0.21374E+04 136 prehnite-Fe 12.12 10.19 -1.92 -0.116 0.43011E+04 137 pumpellyite-Fe 18.19 14.39 -3.79 -0.084 0.84841E+04 138 pumpellyite-Mg 20.31 17.65 -2.66 -0.059 0.59534E+04 140 px-Ca-tschermaks 6.97 2.59 -4.38 -0.313 0.98035E+04 141 pyrite -19.52 -20.57 -1.05 -0.248 0.23552E+04 142 pyrrhotite -5.44 -7.50 -2.06 -0.687 0.46143E+04 143 pyrrhotiteFe0.875 -6.70 -8.20 -1.50 -0.552 0.33615E+04 144 pyroxmangite 4.93 1.73 -3.20 -0.640 0.71642E+04 145 pyrophyllite -10.89 -13.15 -2.26 -0.141 0.50475E+04 151 rhodochrosite -2.27 -5.70 -3.43 -1.143 0.76760E+04 152 rhodonite 4.95 1.73 -3.22 -0.644 0.72110E+04 153 sanidine -3.51 -4.44 -0.92 -0.071 0.20672E+04 155 siderite -3.99 -6.87 -2.87 -0.958 0.64338E+04 156 sillimanite -2.83 -6.18 -3.36 -0.336 0.75098E+04 163 stilbite -10.29 -11.34 -1.05 -0.050 0.23469E+04 165 stilpnomelane-Mg 11.28 10.47 -0.82 -0.024 0.18243E+04 166 stishovite 2.25 -2.32 -4.57 -1.523 0.10228E+05 168 sudoite 2.44 -2.42 -4.86 -0.157 0.10873E+05 169 sulfur -8.68 -13.07 -4.39 -1.352 0.98319E+04 171 talc 9.91 9.12 -0.79 -0.046 0.17681E+04 173 talc-tschermaks 6.09 1.44 -4.65 -0.273 0.10401E+05 178 topaz-H -2.35 -6.18 -3.83 -0.348 0.85794E+04 179 tridymite -2.10 -2.32 -0.22 -0.073 0.49216E+03 180 tremolite 30.73 29.65 -1.08 -0.029 0.24068E+04 182 troilite-low -5.49 -7.50 -2.01 -0.671 0.45083E+04 188 wairakite -3.84 -4.37 -0.53 -0.031 0.11905E+04 189 walstromite 8.32 6.45 -1.87 -0.374 0.41843E+04 190 wollastonite 7.54 6.45 -1.08 -0.216 0.24222E+04 191 pseudo-wollastonite 7.89 6.45 -1.43 -0.287 0.32097E+04 192 zoisite 6.69 4.79 -1.90 -0.087 0.42627E+04 193 beidellite-Ca -8.67 -11.57 -2.90 -0.180 0.65017E+04 194 beidellite-H -9.06 -13.02 -3.96 -0.253 0.88700E+04 195 beidellite-K -8.14 -11.55 -3.41 -0.209 0.76399E+04 196 beidellite-Mg -8.89 -12.01 -3.12 -0.193 0.69736E+04 197 beidellite-Na -8.07 -11.26 -3.19 -0.195 0.71350E+04 200 chalcedony -2.18 -2.32 -0.14 -0.048 0.32098E+03 201 chalcocite -21.44 -22.82 -1.38 -0.345 0.30882E+04 202 covellite -15.95 -17.95 -1.99 -0.759 0.44598E+04 204 montmorillonite-Ca -7.32 -9.04 -1.72 -0.106 0.38418E+04 205 montmorillonite-K -6.90 -9.02 -2.11 -0.129 0.47294E+04 206 montmorillonite-Mg -7.57 -9.48 -1.90 -0.118 0.42539E+04 207 montmorillonite-Na -6.76 -8.72 -1.96 -0.120 0.43867E+04 209 nontronite-Ca -0.60 -4.63 -4.02 -0.261 0.90089E+04 211 nontronite-K -0.07 -4.60 -4.53 -0.291 0.10146E+05 212 nontronite-Mg -0.82 -5.06 -4.24 -0.275 0.94883E+04 213 nontronite-Na -0.00 -4.31 -4.31 -0.277 0.96447E+04 229 tobermorite 8.42 4.99 -3.44 -0.938 0.76922E+04 235 alabandite -2.61 -6.34 -3.73 -1.242 0.83413E+04 240 boehmite 0.20 -1.93 -2.14 -0.356 0.47809E+04 242 chalcopyrite -24.77 -25.45 -0.68 -0.126 0.15144E+04 245 copper,native -1.34 -4.88 -3.53 -1.228 0.79034E+04 246 dolomite,disordered -2.54 -4.59 -2.05 -0.342 0.45897E+04 247 ferrous-oxide 6.23 2.88 -3.34 -0.835 0.74794E+04 248 fluorite -11.00 -12.52 -1.52 -0.506 0.33953E+04 257 silica-amorphous -1.74 -2.32 -0.58 -0.193 0.12970E+04 260 sphalerite -10.00 -10.52 -0.52 -0.174 0.11658E+04 261 wurtzite -8.61 -10.52 -1.92 -0.639 0.42887E+04 263 an20ab80 -2.30 -2.79 -0.49 -0.038 0.10951E+04 264 an25ab75 -2.06 -2.60 -0.53 -0.041 0.11950E+04 265 an30ab70 -1.82 -2.41 -0.58 -0.045 0.13073E+04 266 tr.625ac.25prg.125 26.84 25.34 -1.50 -0.040 0.33519E+04 271 FeS-amorphous -3.87 -7.50 -3.63 -1.210 0.81223E+04 Calculations done for 216.0000 Deg. C; 21.5573 bar Enthalpies: Pure water 3.9883 kcal/mole H2O,gas 12.0753 kcal/mole CO2,gas 2.6386 kcal/mole CH4,gas 2.5574 kcal/mole Current solution 185.6139 Gas 110.9166 kcal Total current enthalpy 296.5306 kcal Starting enthalpy 296.5306 kcal Temperature changed by -2.000 degrees to 214.000 degrees C. Solids and gases carried ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ Test file for CHIM-XPT. Boil Broadlands Water Water similar to Broadlands Well No. 2 CHIMRUN demo-2a ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ Number of loops used = 12 Loop limit = 200 Temperature = 214.00 C Pressure = 20.72 bar Mixer fraction = 0.0000000 Total current enthalpy = 296.5306 KCAL Water: Moles liquid = 0.4631E+02 kg liquid = 0.8344E+00 Moles total = 0.5551E+02 kg total = 0.1000E+01 Activity = 0.9999 Stoichiometric ionic strength = .4180883E-01 Osmotic coef. = 0.9116 True ionic strength = .3894204E-01 Chg. balance for total moles = 0.2402E-07 Max. difference allowed = 0.3072E-05 Log Log Log Species(n) Molality Molality Activity Activity Gamma Gamma 1 H+ 0.14857E-06 -6.8281 0.10926E-06 -6.9615 0.73542E+00 -0.1335 2 H2O 0.99993E+00 -0.0000 0.99993E+00 -0.0000 3 Cl- 0.35783E-01 -1.4463 0.25977E-01 -1.5854 0.72595E+00 -0.1391 4 SO4-- 0.21675E-06 -6.6640 0.65622E-07 -7.1830 0.30275E+00 -0.5189 5 HCO3- 0.21921E-02 -2.6591 0.16004E-02 -2.7958 0.73004E+00 -0.1367 6 HS- 0.50229E-03 -3.2990 0.36486E-03 -3.4379 0.72638E+00 -0.1388 7 H4SiO4 0.46694E-02 -2.3307 0.46694E-02 -2.3307 0.10000E+01 0.0000 8 Al+++ 0.25230E-21 -21.5981 0.16838E-22 -22.7737 0.66735E-01 -1.1756 9 Ca++ 0.25916E-04 -4.5864 0.76787E-05 -5.1147 0.29630E+00 -0.5283 10 Mg++ 0.61495E-07 -7.2112 0.17931E-07 -7.7464 0.29158E+00 -0.5352 11 Fe++ 0.31569E-10 -10.5007 0.92412E-11 -11.0343 0.29273E+00 -0.5335 12 K+ 0.44337E-02 -2.3532 0.32416E-02 -2.4892 0.73112E+00 -0.1360 13 Na+ 0.34413E-01 -1.4633 0.24988E-01 -1.6023 0.72612E+00 -0.1390 14 Mn++ 0.50547E-09 -9.2963 0.14841E-09 -9.8286 0.29360E+00 -0.5323 15 Zn++ 0.34353E-13 -13.4640 0.10056E-13 -13.9976 0.29273E+00 -0.5335 16 Cu+ 0.84545E-13 -13.0729 0.61378E-13 -13.2120 0.72598E+00 -0.1391 17 Pb++ 0.49752E-13 -13.3032 0.14887E-13 -13.8272 0.29923E+00 -0.5240 18 Hg++ 0.89628E-35 -35.0476 0.26695E-35 -35.5736 0.29784E+00 -0.5260 19 F- 0.28310E-03 -3.5481 0.20341E-03 -3.6916 0.71850E+00 -0.1436 21 HSiO3- 0.72072E-04 -4.1422 0.52320E-04 -4.2813 0.72595E+00 -0.1391 22 Ca(HSiO3)+ 0.13734E-06 -6.8622 0.10049E-06 -6.9979 0.73166E+00 -0.1357 23 Mg(HSiO3)+ 0.25477E-09 -9.5938 0.18641E-09 -9.7295 0.73166E+00 -0.1357 24 NaHSiO3,aq 0.14240E-04 -4.8465 0.14240E-04 -4.8465 0.10000E+01 0.0000 27 HAlO2,aq 0.76218E-08 -8.1179 0.76218E-08 -8.1179 0.10000E+01 0.0000 28 AlO2- 0.24381E-05 -5.6130 0.17546E-05 -5.7558 0.71965E+00 -0.1429 29 CH4,aq 0.10150E-04 -4.9936 0.10020E-04 -4.9991 0.98724E+00 -0.0056 34 CO,aq 0.28091E-08 -8.5514 0.28091E-08 -8.5514 0.10000E+01 0.0000 35 CO2,aq 0.32836E-02 -2.4837 0.32417E-02 -2.4892 0.98724E+00 -0.0056 36 CO3-2 0.13315E-05 -5.8756 0.40036E-06 -6.3975 0.30068E+00 -0.5219 37 CaCO3,aq 0.13137E-05 -5.8815 0.13137E-05 -5.8815 0.10000E+01 0.0000 38 Ca(HCO3)+ 0.59735E-05 -5.2238 0.43706E-05 -5.3595 0.73166E+00 -0.1357 39 CaCl+ 0.67828E-05 -5.1686 0.49627E-05 -5.3043 0.73166E+00 -0.1357 40 CaCl2,aq 0.63143E-07 -7.1997 0.63143E-07 -7.1997 0.10000E+01 0.0000 41 CaF+ 0.52765E-06 -6.2777 0.38606E-06 -6.4133 0.73166E+00 -0.1357 42 CaOH+ 0.19672E-05 -5.7061 0.14394E-05 -5.8418 0.73166E+00 -0.1357 43 CaSO4,aq 0.20496E-08 -8.6883 0.20496E-08 -8.6883 0.10000E+01 0.0000 44 HCl,aq 0.27706E-08 -8.5574 0.27706E-08 -8.5574 0.10000E+01 0.0000 53 CuCl,aq 0.11154E-10 -10.9526 0.11154E-10 -10.9526 0.10000E+01 0.0000 61 HF,aq 0.22928E-05 -5.6396 0.22928E-05 -5.6396 0.10000E+01 0.0000 62 HF2- 0.20538E-09 -9.6874 0.14909E-09 -9.8265 0.72595E+00 -0.1391 69 FeO,aq 0.13938E-09 -9.8558 0.13938E-09 -9.8558 0.10000E+01 0.0000 70 FeOH+ 0.19650E-09 -9.7066 0.14377E-09 -9.8423 0.73166E+00 -0.1357 71 HFeO2- 0.63742E-10 -10.1956 0.46273E-10 -10.3347 0.72595E+00 -0.1391 74 FeO2- 0.51519E-10 -10.2880 0.37400E-10 -10.4271 0.72595E+00 -0.1391 75 HFeO2,aq 0.20225E-10 -10.6941 0.20225E-10 -10.6941 0.10000E+01 0.0000 76 H2,aq 0.21789E-04 -4.6618 0.21511E-04 -4.6673 0.98724E+00 -0.0056 77 Hg,aq 0.44844E-10 -10.3483 0.44272E-10 -10.3539 0.98724E+00 -0.0056 90 KCl,aq 0.18899E-04 -4.7236 0.18899E-04 -4.7236 0.10000E+01 0.0000 92 KOH,aq 0.41971E-06 -6.3771 0.41971E-06 -6.3771 0.10000E+01 0.0000 93 KSO4- 0.32775E-07 -7.4845 0.23793E-07 -7.6235 0.72595E+00 -0.1391 94 MgCO3,aq 0.40103E-09 -9.3968 0.40103E-09 -9.3968 0.10000E+01 0.0000 95 Mg(HCO3)+ 0.13280E-07 -7.8768 0.97162E-08 -8.0125 0.73166E+00 -0.1357 96 MgCl+ 0.87135E-08 -8.0598 0.63753E-08 -8.1955 0.73166E+00 -0.1357 97 MgF+ 0.35673E-08 -8.4477 0.26100E-08 -8.5834 0.73166E+00 -0.1357 98 MgOH+ 0.15247E-07 -7.8168 0.11155E-07 -7.9525 0.73166E+00 -0.1357 101 MnO,aq 0.67828E-10 -10.1686 0.67828E-10 -10.1686 0.10000E+01 0.0000 102 MnOH+ 0.43767E-09 -9.3589 0.32022E-09 -9.4945 0.73166E+00 -0.1357 107 MnCl+ 0.13118E-08 -8.8821 0.95979E-09 -9.0178 0.73166E+00 -0.1357 109 NaCl,aq 0.10087E-02 -2.9962 0.10087E-02 -2.9962 0.10000E+01 0.0000 110 NaF,aq 0.63102E-05 -5.2000 0.63102E-05 -5.2000 0.10000E+01 0.0000 111 NaOH,aq 0.22108E-05 -5.6554 0.22108E-05 -5.6554 0.10000E+01 0.0000 113 OH- 0.75161E-04 -4.1240 0.54090E-04 -4.2669 0.71965E+00 -0.1429 122 PbO,aq 0.11067E-10 -10.9560 0.11067E-10 -10.9560 0.10000E+01 0.0000 124 Pb(HS)2,aq 0.65929E-08 -8.1809 0.65929E-08 -8.1809 0.10000E+01 0.0000 125 Pb(HS)3- 0.87602E-10 -10.0575 0.63594E-10 -10.1966 0.72595E+00 -0.1391 126 H2S,aq 0.31968E-03 -3.4953 0.31560E-03 -3.5009 0.98724E+00 -0.0056 127 S2-2 0.12592E-09 -9.8999 0.37861E-10 -10.4218 0.30068E+00 -0.5219 135 HSO4- 0.47187E-09 -9.3262 0.34619E-09 -9.4607 0.73366E+00 -0.1345 153 ZnO,aq 0.16171E-10 -10.7913 0.16171E-10 -10.7913 0.10000E+01 0.0000 154 ZnOH+ 0.20135E-09 -9.6960 0.14732E-09 -9.8317 0.73166E+00 -0.1357 164 Cu(HS)2- 0.48358E-07 -7.3155 0.35106E-07 -7.4546 0.72595E+00 -0.1391 166 CuH4S3-b 0.12222E-09 -9.9129 0.88726E-10 -10.0520 0.72595E+00 -0.1391 179 MgSO4,aq 0.16787E-10 -10.7750 0.16787E-10 -10.7750 0.10000E+01 0.0000 180 MnCl2,aq 0.42708E-09 -9.3695 0.42708E-09 -9.3695 0.10000E+01 0.0000 181 MnCl3- 0.71428E-10 -10.1461 0.51853E-10 -10.2852 0.72595E+00 -0.1391 182 MnCO3,aq 0.42081E-09 -9.3759 0.42081E-09 -9.3759 0.10000E+01 0.0000 183 NaCO3- 0.67978E-06 -6.1676 0.49348E-06 -6.3067 0.72595E+00 -0.1391 184 NaHCO3,aq 0.56552E-04 -4.2476 0.56552E-04 -4.2476 0.10000E+01 0.0000 185 NaHS,aq 0.12893E-04 -4.8896 0.12893E-04 -4.8896 0.10000E+01 0.0000 186 NaSO4- 0.63211E-07 -7.1992 0.45888E-07 -7.3383 0.72595E+00 -0.1391 187 PbCO3,aq 0.37562E-09 -9.4252 0.37562E-09 -9.4252 0.10000E+01 0.0000 188 PbOH+ 0.42112E-10 -10.3756 0.30812E-10 -10.5113 0.73166E+00 -0.1357 193 Zn(HS)2,aq 0.17719E-07 -7.7516 0.17719E-07 -7.7516 0.10000E+01 0.0000 194 Zn(HS)3- 0.39234E-09 -9.4063 0.28481E-09 -9.5454 0.72595E+00 -0.1391 Charge balance for all species = 0.2879E-07 Component Molality Aq.molality ppm log[A(N)/A(H+)**Z] (total) 1 H+ 0.1485715E-06 0.3420931E-02 0.3437545E+01 0.0000 2 H2O 0.1000000E+01 0.5550500E+02 0.9968803E+06 0.0000 3 Cl- 0.3578337E-01 0.3681794E-01 0.1301313E+04 5.3761 4 SO4-- 0.2167538E-06 -.1528227E-04 -.1463549E+01 6.7401 5 HCO3- 0.2192138E-02 0.5551730E-02 0.3377148E+03 4.1657 6 HS- 0.5022937E-03 0.8506148E-03 0.2804548E+02 3.5237 7 H4SiO4 0.4669405E-02 0.4755854E-02 0.4557125E+03 -2.3307 8 Al+++ 0.2523026E-21 0.2445678E-05 0.6578620E-01 -1.8891 9 Ca++ 0.2591579E-04 0.4268317E-04 0.1705423E+01 8.8083 10 Mg++ 0.6149531E-07 0.1029752E-06 0.2495874E-02 6.1767 11 Fe++ 0.3156868E-10 0.5098544E-09 0.2838674E-04 2.8888 12 K+ 0.4433711E-02 0.4453062E-02 0.1735910E+03 4.4723 13 Na+ 0.3441328E-01 0.3551497E-01 0.8139845E+03 5.3593 14 Mn++ 0.5054740E-09 0.3249756E-08 0.1779890E-03 4.0945 15 Zn++ 0.3435295E-13 0.1833696E-07 0.1195020E-02 -0.0745 16 Cu+ 0.8454471E-13 0.4850084E-07 0.3072316E-02 -6.2505 17 Pb++ 0.4975162E-13 0.7112808E-08 0.1469195E-02 0.0959 18 Hg++ 0.8962839E-35 0.4524412E-10 0.9047756E-05 -21.6505 19 F- 0.2831032E-03 0.2922379E-03 0.5534952E+01 3.2699 Component Tot moles Aq. moles Solid moles Gas moles 1 H+ 0.1822172E+00 0.2854358E-02 -.1114570E-05 0.1793640E+00 2 H2O 0.5550825E+02 0.4631228E+02 -.7773640E-02 0.9203744E+01 3 Cl- 0.3072017E-01 0.3072017E-01 0.0000000E+00 0.5094942E-09 4 SO4-- -.4257700E-02 -.1275123E-04 0.5476487E-09 -.4244949E-02 5 HCO3- 0.1832100E+00 0.4632255E-02 0.0000000E+00 0.1785777E+00 6 HS- 0.9985820E-02 0.7097363E-03 0.2214232E-07 0.9276061E-02 7 H4SiO4 0.7855346E-02 0.3968191E-02 0.3887154E-02 0.0000000E+00 8 Al+++ 0.2253680E-05 0.2040626E-05 0.2130544E-06 0.0000000E+00 9 Ca++ 0.3561400E-04 0.3561400E-04 0.0000000E+00 0.0000000E+00 10 Mg++ 0.2355503E-06 0.8592047E-07 0.1496298E-06 0.0000000E+00 11 Fe++ 0.8017372E-08 0.4254125E-09 0.7591959E-08 0.0000000E+00 12 K+ 0.3715700E-02 0.3715548E-02 0.1519066E-06 0.0000000E+00 13 Na+ 0.2963300E-01 0.2963300E-01 0.0000000E+00 0.0000000E+00 14 Mn++ 0.2740424E-08 0.2711533E-08 0.2889094E-10 0.0000000E+00 15 Zn++ 0.1530000E-07 0.1530000E-07 0.0000000E+00 0.0000000E+00 16 Cu+ 0.6237410E-07 0.4046815E-07 0.2190595E-07 0.0000000E+00 17 Pb++ 0.1110000E-07 0.5934788E-08 0.5165212E-08 0.0000000E+00 18 Hg++ 0.4000000E-08 0.3775081E-10 0.0000000E+00 0.3962249E-08 19 F- 0.2439100E-03 0.2438376E-03 0.0000000E+00 0.7242639E-07 Chg. balance for solid moles: 0.2230E-16 Mass of aqueous solution: 0.836941E+03 g Temperature = 214.00 C Pressure = 20.72 bar Mixer frac. = 0.0000000 Log Log Vol Gas or mineral Moles Moles Grams Grams Wt.% (cm3) H2O,gas 9.371 0.972 168.8 2.227 95.49 0.1623E+05 CO2,gas 0.1757 -0.755 7.735 0.888 4.376 357.2 CH4,gas 0.2830E-02 -2.548 0.4539E-01 -1.343 0.2568E-01 6.131 H2,gas 0.5661E-02 -2.247 0.1144E-01 -1.942 0.6470E-02 11.16 H2S,gas 0.5031E-02 -2.298 0.1715 -0.766 0.9702E-01 9.475 CO,gas 0.6829E-06 -6.166 0.1913E-04 -4.718 0.1082E-04 0.1335E-02 SO2,gas 0.7206E-13 -13.142 0.4616E-11 -11.336 0.2612E-11 0.1409E-09 HF,gas 0.7243E-07 -7.140 0.1449E-05 -5.839 0.8196E-06 0.1416E-03 HCl,gas 0.5095E-09 -9.293 0.1858E-07 -7.731 0.1051E-07 0.9960E-06 Hg,gas 0.3962E-08 -8.402 0.7948E-06 -6.100 0.4497E-06 0.7746E-05 clinochlore 0.2993E-07 -7.524 0.1663E-04 -4.779 0.7122E-02 0.6327E-05 daphnite 0.6422E-09 -9.192 0.4582E-06 -6.339 0.1962E-03 0.1388E-06 chlorite-Mn 0.5778E-11 -11.238 0.4097E-08 -8.388 0.1754E-05 0.1305E-08 microcline 0.1519E-06 -6.818 0.4228E-04 -4.374 0.1810E-01 0.1652E-04 quartz 0.3887E-02 -2.410 0.2335 -0.632 99.97 0.8818E-01 bornite 0.4381E-08 -8.358 0.2198E-05 -5.658 0.9413E-03 0.4325E-06 galena 0.5165E-08 -8.287 0.1236E-05 -5.908 0.5291E-03 0.1626E-06 Partial press. Fugacity coef Log fugacity Gas or Mineral Mole fraction or activity Activity coef Log activity H2O,gas 0.9802E+00 0.2031E+02 0.8992 1.262 CO2,gas 0.1838E-01 0.3809E+00 1.0146 -0.413 CH4,gas 0.2960E-03 0.6132E-02 1.0981 -2.172 H2,gas 0.5921E-03 0.1227E-01 1.0085 -1.908 H2S,gas 0.5263E-03 0.1090E-01 0.9634 -1.979 CO,gas 0.7143E-07 0.1480E-05 1.0000 -5.830 SO2,gas 0.7537E-14 0.1562E-12 1.0000 -12.806 HF,gas 0.7576E-08 0.1570E-06 1.0000 -6.804 HCl,gas 0.5329E-10 0.1104E-08 1.0000 -8.957 Hg,gas 0.4144E-09 0.8587E-08 1.0000 -8.066 clinochlore 0.9788E+00 0.9788E+00 1.0000 -0.009 daphnite 0.2100E-01 0.2100E-01 1.0000 -1.678 chlorite-Mn 0.1890E-03 0.1890E-03 1.0000 -3.724 microcline 0.1000E+01 0.1000E+01 1.0000 0.000 quartz 0.1000E+01 0.1000E+01 1.0000 0.000 bornite 0.1000E+01 0.1000E+01 1.0000 0.000 galena 0.1000E+01 0.1000E+01 1.0000 0.000 Current weight percent of gas: 17.431023 % Solid products produced: Mass = 0.233570 g Volume = 0.088206 cm3 WARNING: mineral volume may be in error because some mineral densities were not supplied in SOLTHERM. See mineral list in file Skip_Species.txt. NON-Ideal mixing with H2O, CO2, CH4 Gases ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ The following gases and minerals are presently in matrix or were just added Gas or Mineral Log K Log Q Log(Q/K) Log(Q/K)/S Affinity Log Fugacity 1 H2O,gas 0.05 0.05 -0.00 -0.000 0.58894E-09 2 CO2,gas -8.03 -8.03 0.00 0.000 -0.20986E-09 3 CH4,gas 4.44 4.44 0.00 0.000 -0.55832E-09 4 H2,gas 5.90 5.90 0.00 0.000 -0.41577E-10 5 H2S,gas -7.10 -7.10 -0.00 -0.000 0.19007E-09 6 CO,gas 0.07 0.07 -0.00 -0.000 0.24748E-11 7 SO2,gas -4.31 -4.31 -0.00 -0.000 0.39597E-11 8 HF,gas -2.53 -2.53 -0.00 -0.000 0.19799E-11 9 HCl,gas 1.73 1.73 -0.00 -0.000 0.34647E-11 10 Hg,gas -9.59 -9.59 0.00 0.000 -0.39597E-11 43 clinochlore 20.16 20.16 -0.00 -0.000 0.15839E-10 44 daphnite 12.06 12.06 -0.00 -0.000 0.39597E-11 45 chlorite-Mn 28.32 28.32 0.00 0.000 -0.15839E-10 115 microcline -4.41 -4.41 0.00 0.000 0.00000E+00 146 quartz -2.33 -2.33 0.00 0.000 0.00000E+00 198 bornite -71.30 -71.30 0.00 0.000 0.00000E+00 249 galena -10.30 -10.30 0.00 0.000 -0.39597E-11 The following gases and minerals are presently EXCLUDED from matrix (Gases and minerals with log(Q/K) less than -5 are not listed below) Gas or Mineral Log K Log Q Log(Q/K) Log(Q/K)/S Affinity Log Fugacity 11 acmite 5.46 2.25 -3.22 -0.334 0.71692E+04 15 albite-high -2.47 -3.52 -1.05 -0.081 0.23352E+04 16 albite -3.09 -3.52 -0.43 -0.033 0.95835E+03 20 analcite -0.04 -1.19 -1.15 -0.128 0.25668E+04 21 andalusite -2.88 -6.11 -3.23 -0.323 0.71953E+04 22 andradite 26.44 22.53 -3.90 -0.203 0.87040E+04 23 grossular 17.66 15.65 -2.00 -0.100 0.44638E+04 24 anhydrite -7.58 -12.30 -4.72 -2.361 0.10525E+05 25 ankerite -5.02 -7.82 -2.80 -0.467 0.62468E+04 27 phlogopite 15.54 14.12 -1.42 -0.079 0.31557E+04 29 anorthite 2.27 0.37 -1.90 -0.146 0.42348E+04 32 aragonite -0.61 -0.95 -0.34 -0.114 0.76283E+03 33 brucite 9.07 6.18 -2.89 -0.579 0.64481E+04 34 calcite -0.76 -0.95 -0.19 -0.063 0.42079E+03 35 carnegieite-low 4.26 1.14 -3.12 -0.446 0.69528E+04 36 carnegieite-high 4.89 1.14 -3.75 -0.535 0.83537E+04 37 carpholite-Mg 0.01 -2.26 -2.27 -0.151 0.50584E+04 38 carpholite-Fe -1.50 -5.55 -4.05 -0.270 0.90287E+04 39 celadonite 1.33 -0.56 -1.90 -0.112 0.42298E+04 40 celadonite-Fe 0.03 -3.85 -3.88 -0.228 0.86428E+04 41 chrysotile 16.21 13.87 -2.34 -0.195 0.52166E+04 46 chlorite-Al-free 32.06 27.74 -4.33 -0.180 0.96435E+04 47 chloritoid-Mg 3.03 0.07 -2.96 -0.197 0.65966E+04 48 chloritoid-Fe 0.00 -3.22 -3.22 -0.215 0.71810E+04 49 chloritoid-Mn 2.21 -2.01 -4.23 -0.282 0.94219E+04 51 coesite -1.84 -2.33 -0.49 -0.163 0.10913E+04 56 corundum -0.25 -3.78 -3.53 -0.321 0.78759E+04 58 cristobalite -2.08 -2.33 -0.25 -0.084 0.55912E+03 61 cymrite-K -1.05 -4.41 -3.36 -0.280 0.74871E+04 63 diaspore -0.71 -1.89 -1.18 -0.196 0.26209E+04 64 diamond -2.03 -4.40 -2.38 -0.679 0.52965E+04 65 diopside 10.91 10.32 -0.58 -0.058 0.12974E+04 66 hedenbergite 9.30 7.04 -2.26 -0.226 0.50421E+04 67 dolomite,ordered -2.87 -4.53 -1.66 -0.277 0.37025E+04 68 eastonite 11.00 6.50 -4.51 -0.173 0.10049E+05 69 enstatite 10.98 7.69 -3.29 -0.329 0.73271E+04 70 clinoenstatite-HiP 11.82 7.69 -4.13 -0.413 0.92082E+04 71 clinoenstatite 10.91 7.69 -3.21 -0.321 0.71659E+04 72 protoenstatite 11.35 7.69 -3.66 -0.366 0.81567E+04 73 epidote 10.45 8.40 -2.06 -0.100 0.45871E+04 74 clinozoisite 6.88 4.96 -1.93 -0.088 0.42932E+04 75 epidote-Fe 16.61 11.84 -4.77 -0.248 0.10634E+05 76 fayalite 8.42 3.45 -4.97 -0.710 0.11079E+05 78 forsterite 13.85 10.02 -3.83 -0.547 0.85400E+04 81 gibbsite 0.60 -1.89 -2.49 -0.356 0.55513E+04 82 glaucophane 10.25 6.82 -3.43 -0.093 0.76370E+04 84 goethite 4.00 1.55 -2.45 -0.530 0.54597E+04 85 graphite -2.42 -4.40 -1.99 -0.568 0.44278E+04 88 halite 1.16 -3.19 -4.35 -2.174 0.96940E+04 89 hematite 7.24 3.10 -4.13 -0.501 0.92158E+04 90 heulandite -10.83 -11.28 -0.46 -0.021 0.10171E+04 94 jadeite 0.86 -1.19 -2.06 -0.206 0.45826E+04 96 kalsilite 3.32 0.25 -3.07 -0.438 0.68389E+04 97 kaolinite -6.50 -8.44 -1.94 -0.176 0.43189E+04 98 kyanite -2.86 -6.11 -3.25 -0.325 0.72429E+04 100 laumontite -3.62 -4.29 -0.67 -0.045 0.14985E+04 101 lawsonite 1.61 0.37 -1.24 -0.083 0.27638E+04 102 leucite 0.39 -2.08 -2.47 -0.247 0.55051E+04 104 lizardite 15.87 13.87 -2.00 -0.167 0.44606E+04 105 magnesite -1.40 -3.58 -2.18 -0.726 0.48529E+04 108 minnesotaite-Mg 13.08 9.21 -3.88 -0.228 0.86420E+04 112 margarite 0.01 -3.41 -3.42 -0.137 0.76126E+04 116 monticellite 17.10 12.65 -4.45 -0.635 0.99124E+04 118 mullite-Si -1.26 -6.11 -4.85 -0.485 0.10820E+05 119 muscovite -6.52 -8.19 -1.66 -0.098 0.37065E+04 120 paragonite -5.44 -7.30 -1.86 -0.109 0.41402E+04 121 nepheline 3.71 1.14 -2.57 -0.367 0.57204E+04 127 periclase-Fe 7.71 2.89 -4.82 -1.205 0.10742E+05 133 phlogopite-Na 17.23 15.01 -2.23 -0.124 0.49604E+04 135 prehnite 7.84 6.85 -0.99 -0.058 0.22161E+04 136 prehnite-Fe 12.26 10.29 -1.98 -0.119 0.44030E+04 137 pumpellyite-Fe 18.58 14.69 -3.89 -0.086 0.86679E+04 138 pumpellyite-Mg 20.71 17.98 -2.73 -0.061 0.60829E+04 140 px-Ca-tschermaks 7.13 2.70 -4.43 -0.317 0.98838E+04 141 pyrite -19.53 -20.59 -1.06 -0.249 0.23619E+04 142 pyrrhotite -5.42 -7.51 -2.09 -0.698 0.46654E+04 143 pyrrhotiteFe0.875 -6.68 -8.20 -1.53 -0.561 0.34026E+04 144 pyroxmangite 4.96 1.76 -3.20 -0.640 0.71327E+04 145 pyrophyllite -10.83 -13.10 -2.28 -0.142 0.50733E+04 151 rhodochrosite -2.25 -5.66 -3.42 -1.139 0.76179E+04 152 rhodonite 4.98 1.76 -3.22 -0.644 0.71802E+04 153 sanidine -3.48 -4.41 -0.93 -0.071 0.20672E+04 155 siderite -3.97 -6.87 -2.90 -0.968 0.64701E+04 156 sillimanite -2.71 -6.11 -3.39 -0.339 0.75671E+04 163 stilbite -10.25 -11.29 -1.03 -0.049 0.23034E+04 165 stilpnomelane-Mg 11.50 10.70 -0.81 -0.024 0.18017E+04 166 stishovite 2.25 -2.33 -4.58 -1.528 0.10220E+05 168 sudoite 2.70 -2.20 -4.90 -0.158 0.10914E+05 169 sulfur -8.68 -13.08 -4.40 -1.354 0.98097E+04 171 talc 10.00 9.21 -0.79 -0.046 0.17600E+04 173 talc-tschermaks 6.27 1.58 -4.69 -0.276 0.10447E+05 178 topaz-H -2.25 -6.11 -3.86 -0.351 0.85979E+04 179 tridymite -2.11 -2.33 -0.22 -0.074 0.49459E+03 180 tremolite 30.96 29.85 -1.10 -0.030 0.24604E+04 182 troilite-low -5.47 -7.51 -2.04 -0.681 0.45567E+04 188 wairakite -3.73 -4.29 -0.56 -0.033 0.12479E+04 189 walstromite 8.37 6.48 -1.89 -0.378 0.42086E+04 190 wollastonite 7.57 6.48 -1.10 -0.219 0.24459E+04 191 pseudo-wollastonite 7.93 6.48 -1.45 -0.290 0.32356E+04 192 zoisite 6.92 4.96 -1.96 -0.089 0.43802E+04 193 beidellite-Ca -8.57 -11.50 -2.94 -0.182 0.65427E+04 194 beidellite-H -8.96 -12.96 -3.99 -0.255 0.89043E+04 195 beidellite-K -8.04 -11.48 -3.44 -0.211 0.76659E+04 196 beidellite-Mg -8.79 -11.94 -3.15 -0.195 0.70121E+04 197 beidellite-Na -7.97 -11.19 -3.21 -0.197 0.71656E+04 200 chalcedony -2.19 -2.33 -0.14 -0.048 0.32090E+03 201 chalcocite -21.52 -22.90 -1.38 -0.345 0.30727E+04 202 covellite -16.00 -17.99 -1.99 -0.758 0.44332E+04 204 montmorillonite-Ca -7.25 -8.99 -1.73 -0.107 0.38674E+04 205 montmorillonite-K -6.84 -8.96 -2.13 -0.130 0.47431E+04 206 montmorillonite-Mg -7.50 -9.42 -1.92 -0.119 0.42767E+04 207 montmorillonite-Na -6.70 -8.67 -1.97 -0.121 0.44019E+04 209 nontronite-Ca -0.55 -4.62 -4.08 -0.264 0.90874E+04 211 nontronite-K -0.02 -4.60 -4.58 -0.294 0.10210E+05 212 nontronite-Mg -0.77 -5.06 -4.29 -0.278 0.95643E+04 213 nontronite-Na 0.05 -4.31 -4.36 -0.280 0.97128E+04 229 tobermorite 8.44 5.01 -3.44 -0.937 0.76590E+04 235 alabandite -2.58 -6.30 -3.73 -1.242 0.83037E+04 240 boehmite 0.26 -1.89 -2.15 -0.359 0.47991E+04 242 chalcopyrite -24.81 -25.50 -0.69 -0.128 0.15392E+04 245 copper,native -1.37 -4.91 -3.54 -1.232 0.78983E+04 246 dolomite,disordered -2.47 -4.53 -2.05 -0.342 0.45801E+04 247 ferrous-oxide 6.27 2.89 -3.39 -0.846 0.75464E+04 248 fluorite -10.97 -12.50 -1.53 -0.509 0.34030E+04 257 silica-amorphous -1.75 -2.33 -0.58 -0.195 0.13014E+04 260 sphalerite -10.00 -10.47 -0.48 -0.159 0.10637E+04 261 wurtzite -8.60 -10.47 -1.88 -0.626 0.41867E+04 263 an20ab80 -2.24 -2.74 -0.51 -0.039 0.11291E+04 264 an25ab75 -2.00 -2.55 -0.55 -0.043 0.12331E+04 265 an30ab70 -1.75 -2.35 -0.61 -0.047 0.13493E+04 266 tr.625ac.25prg.125 27.09 25.52 -1.57 -0.042 0.35098E+04 271 FeS-amorphous -3.86 -7.51 -3.65 -1.216 0.81319E+04 Calculations done for 214.0000 Deg. C; 20.7180 bar Enthalpies: Pure water 3.9494 kcal/mole H2O,gas 12.0744 kcal/mole CO2,gas 2.5963 kcal/mole CH4,gas 2.5166 kcal/mole Current solution 182.9182 Gas 113.6124 kcal Total current enthalpy 296.5306 kcal Starting enthalpy 296.5306 kcal Temperature changed by -2.000 degrees to 212.000 degrees C. Solids and gases carried ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ Test file for CHIM-XPT. Boil Broadlands Water Water similar to Broadlands Well No. 2 CHIMRUN demo-2a ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ Number of loops used = 12 Loop limit = 200 Temperature = 212.00 C Pressure = 19.90 bar Mixer fraction = 0.0000000 Total current enthalpy = 296.5306 KCAL Water: Moles liquid = 0.4609E+02 kg liquid = 0.8304E+00 Moles total = 0.5551E+02 kg total = 0.1000E+01 Activity = 0.9999 Stoichiometric ionic strength = .4188419E-01 Osmotic coef. = 0.9122 True ionic strength = .3915647E-01 Chg. balance for total moles = 0.2402E-07 Max. difference allowed = 0.3072E-05 Log Log Log Species(n) Molality Molality Activity Activity Gamma Gamma 1 H+ 0.14466E-06 -6.8397 0.10654E-06 -6.9725 0.73651E+00 -0.1328 2 H2O 0.99994E+00 -0.0000 0.99994E+00 -0.0000 3 Cl- 0.35981E-01 -1.4439 0.26161E-01 -1.5824 0.72707E+00 -0.1384 4 SO4-- 0.23449E-06 -6.6299 0.71405E-07 -7.1463 0.30451E+00 -0.5164 5 HCO3- 0.22070E-02 -2.6562 0.16137E-02 -2.7922 0.73114E+00 -0.1360 6 HS- 0.50032E-03 -3.3008 0.36399E-03 -3.4389 0.72751E+00 -0.1382 7 H4SiO4 0.45726E-02 -2.3398 0.45726E-02 -2.3398 0.10000E+01 0.0000 8 Al+++ 0.25458E-21 -21.5942 0.17216E-22 -22.7641 0.67625E-01 -1.1699 9 Ca++ 0.26463E-04 -4.5774 0.78872E-05 -5.1031 0.29805E+00 -0.5257 10 Mg++ 0.63987E-07 -7.1939 0.18770E-07 -7.7265 0.29334E+00 -0.5326 11 Fe++ 0.30107E-10 -10.5213 0.88663E-11 -11.0523 0.29449E+00 -0.5309 12 K+ 0.44557E-02 -2.3511 0.32625E-02 -2.4865 0.73222E+00 -0.1354 13 Na+ 0.34604E-01 -1.4609 0.25166E-01 -1.5992 0.72725E+00 -0.1383 14 Mn++ 0.52717E-09 -9.2780 0.15570E-09 -9.8077 0.29536E+00 -0.5297 15 Zn++ 0.37184E-13 -13.4296 0.10951E-13 -13.9606 0.29449E+00 -0.5309 16 Cu+ 0.76268E-13 -13.1177 0.55454E-13 -13.2561 0.72710E+00 -0.1384 17 Pb++ 0.46576E-13 -13.3318 0.14019E-13 -13.8533 0.30099E+00 -0.5215 18 Hg++ 0.74983E-35 -35.1250 0.22465E-35 -35.6485 0.29959E+00 -0.5235 19 F- 0.28481E-03 -3.5454 0.20497E-03 -3.6883 0.71969E+00 -0.1429 21 HSiO3- 0.73217E-04 -4.1354 0.53234E-04 -4.2738 0.72707E+00 -0.1384 22 Ca(HSiO3)+ 0.13613E-06 -6.8660 0.99750E-07 -7.0011 0.73275E+00 -0.1350 23 Mg(HSiO3)+ 0.25931E-09 -9.5862 0.19001E-09 -9.7212 0.73275E+00 -0.1350 24 NaHSiO3,aq 0.14493E-04 -4.8388 0.14493E-04 -4.8388 0.10000E+01 0.0000 27 HAlO2,aq 0.73648E-08 -8.1328 0.73648E-08 -8.1328 0.10000E+01 0.0000 28 AlO2- 0.23384E-05 -5.6311 0.16856E-05 -5.7732 0.72083E+00 -0.1422 29 CH4,aq 0.93192E-05 -5.0306 0.91999E-05 -5.0362 0.98720E+00 -0.0056 34 CO,aq 0.24094E-08 -8.6181 0.24094E-08 -8.6181 0.10000E+01 0.0000 35 CO2,aq 0.30676E-02 -2.5132 0.30283E-02 -2.5188 0.98720E+00 -0.0056 36 CO3-2 0.14160E-05 -5.8489 0.42825E-06 -6.3683 0.30244E+00 -0.5194 37 CaCO3,aq 0.13389E-05 -5.8733 0.13389E-05 -5.8733 0.10000E+01 0.0000 38 Ca(HCO3)+ 0.58384E-05 -5.2337 0.42781E-05 -5.3688 0.73275E+00 -0.1350 39 CaCl+ 0.66200E-05 -5.1791 0.48508E-05 -5.3142 0.73275E+00 -0.1350 40 CaCl2,aq 0.60600E-07 -7.2175 0.60600E-07 -7.2175 0.10000E+01 0.0000 41 CaF+ 0.51407E-06 -6.2890 0.37669E-06 -6.4240 0.73275E+00 -0.1350 42 CaOH+ 0.19161E-05 -5.7176 0.14041E-05 -5.8526 0.73275E+00 -0.1350 43 CaSO4,aq 0.21573E-08 -8.6661 0.21573E-08 -8.6661 0.10000E+01 0.0000 44 HCl,aq 0.26013E-08 -8.5848 0.26013E-08 -8.5848 0.10000E+01 0.0000 53 CuCl,aq 0.10023E-10 -10.9990 0.10023E-10 -10.9990 0.10000E+01 0.0000 61 HF,aq 0.21399E-05 -5.6696 0.21399E-05 -5.6696 0.10000E+01 0.0000 62 HF2- 0.19354E-09 -9.7132 0.14072E-09 -9.8517 0.72707E+00 -0.1384 69 FeO,aq 0.12517E-09 -9.9025 0.12517E-09 -9.9025 0.10000E+01 0.0000 70 FeOH+ 0.18263E-09 -9.7384 0.13382E-09 -9.8735 0.73275E+00 -0.1350 71 HFeO2- 0.58181E-10 -10.2352 0.42302E-10 -10.3736 0.72707E+00 -0.1384 74 FeO2- 0.46399E-10 -10.3335 0.33736E-10 -10.4719 0.72707E+00 -0.1384 75 HFeO2,aq 0.18519E-10 -10.7324 0.18519E-10 -10.7324 0.10000E+01 0.0000 76 H2,aq 0.20090E-04 -4.6970 0.19833E-04 -4.7026 0.98720E+00 -0.0056 77 Hg,aq 0.41371E-10 -10.3833 0.40842E-10 -10.3889 0.98720E+00 -0.0056 90 KCl,aq 0.18309E-04 -4.7373 0.18309E-04 -4.7373 0.10000E+01 0.0000 92 KOH,aq 0.41598E-06 -6.3809 0.41598E-06 -6.3809 0.10000E+01 0.0000 93 KSO4- 0.34329E-07 -7.4643 0.24960E-07 -7.6028 0.72707E+00 -0.1384 94 MgCO3,aq 0.42055E-09 -9.3762 0.42055E-09 -9.3762 0.10000E+01 0.0000 95 Mg(HCO3)+ 0.13262E-07 -7.8774 0.97177E-08 -8.0124 0.73275E+00 -0.1350 96 MgCl+ 0.87378E-08 -8.0586 0.64026E-08 -8.1936 0.73275E+00 -0.1350 97 MgF+ 0.35563E-08 -8.4490 0.26059E-08 -8.5840 0.73275E+00 -0.1350 98 MgOH+ 0.15204E-07 -7.8180 0.11141E-07 -7.9531 0.73275E+00 -0.1350 101 MnO,aq 0.66686E-10 -10.1760 0.66686E-10 -10.1760 0.10000E+01 0.0000 102 MnOH+ 0.44303E-09 -9.3536 0.32463E-09 -9.4886 0.73275E+00 -0.1350 107 MnCl+ 0.12901E-08 -8.8894 0.94533E-09 -9.0244 0.73275E+00 -0.1350 109 NaCl,aq 0.98967E-03 -3.0045 0.98967E-03 -3.0045 0.10000E+01 0.0000 110 NaF,aq 0.61832E-05 -5.2088 0.61832E-05 -5.2088 0.10000E+01 0.0000 111 NaOH,aq 0.22019E-05 -5.6572 0.22019E-05 -5.6572 0.10000E+01 0.0000 113 OH- 0.75747E-04 -4.1206 0.54601E-04 -4.2628 0.72083E+00 -0.1422 122 PbO,aq 0.10160E-10 -10.9931 0.10160E-10 -10.9931 0.10000E+01 0.0000 124 Pb(HS)2,aq 0.60249E-08 -8.2200 0.60249E-08 -8.2200 0.10000E+01 0.0000 125 Pb(HS)3- 0.78265E-10 -10.1064 0.56905E-10 -10.2449 0.72707E+00 -0.1384 126 H2S,aq 0.30053E-03 -3.5221 0.29668E-03 -3.5277 0.98720E+00 -0.0056 127 S2-2 0.12410E-09 -9.9062 0.37531E-10 -10.4256 0.30244E+00 -0.5194 135 HSO4- 0.46543E-09 -9.3321 0.34197E-09 -9.4660 0.73475E+00 -0.1339 153 ZnO,aq 0.16669E-10 -10.7781 0.16669E-10 -10.7781 0.10000E+01 0.0000 154 ZnOH+ 0.20795E-09 -9.6820 0.15238E-09 -9.8171 0.73275E+00 -0.1350 164 Cu(HS)2- 0.46753E-07 -7.3302 0.33993E-07 -7.4686 0.72707E+00 -0.1384 166 CuH4S3-b 0.12657E-09 -9.8977 0.92027E-10 -10.0361 0.72707E+00 -0.1384 179 MgSO4,aq 0.18159E-10 -10.7409 0.18159E-10 -10.7409 0.10000E+01 0.0000 180 MnCl2,aq 0.40442E-09 -9.3932 0.40442E-09 -9.3932 0.10000E+01 0.0000 181 MnCl3- 0.67424E-10 -10.1712 0.49023E-10 -10.3096 0.72707E+00 -0.1384 182 MnCO3,aq 0.45913E-09 -9.3381 0.45913E-09 -9.3381 0.10000E+01 0.0000 183 NaCO3- 0.71815E-06 -6.1438 0.52215E-06 -6.2822 0.72707E+00 -0.1384 184 NaHCO3,aq 0.55817E-04 -4.2532 0.55817E-04 -4.2532 0.10000E+01 0.0000 185 NaHS,aq 0.12591E-04 -4.9000 0.12591E-04 -4.9000 0.10000E+01 0.0000 186 NaSO4- 0.67132E-07 -7.1731 0.48810E-07 -7.3115 0.72707E+00 -0.1384 187 PbCO3,aq 0.36719E-09 -9.4351 0.36719E-09 -9.4351 0.10000E+01 0.0000 188 PbOH+ 0.38852E-10 -10.4106 0.28469E-10 -10.5456 0.73275E+00 -0.1350 193 Zn(HS)2,aq 0.17793E-07 -7.7498 0.17793E-07 -7.7498 0.10000E+01 0.0000 194 Zn(HS)3- 0.39972E-09 -9.3982 0.29063E-09 -9.5367 0.72707E+00 -0.1384 Charge balance for all species = 0.2893E-07 Component Molality Aq.molality ppm log[A(N)/A(H+)**Z] (total) 1 H+ 0.1446581E-06 0.3184370E-02 0.3199859E+01 -0.0000 2 H2O 0.1000000E+01 0.5550521E+02 0.9968916E+06 0.0000 3 Cl- 0.3598064E-01 0.3699537E-01 0.1307594E+04 5.3901 4 SO4-- 0.2344936E-06 -.1400369E-04 -.1341112E+01 6.7987 5 HCO3- 0.2207037E-02 0.5349072E-02 0.3253894E+03 4.1803 6 HS- 0.5003214E-03 0.8279242E-03 0.2729755E+02 3.5336 7 H4SiO4 0.4572613E-02 0.4660459E-02 0.4465750E+03 -2.3398 8 Al+++ 0.2545754E-21 0.2345786E-05 0.6309967E-01 -1.8466 9 Ca++ 0.2646253E-04 0.4288886E-04 0.1713655E+01 8.8419 10 Mg++ 0.6398710E-07 0.1054457E-06 0.2555773E-02 6.2184 11 Fe++ 0.3010676E-10 0.4673441E-09 0.2602012E-04 2.8927 12 K+ 0.4455650E-02 0.4474410E-02 0.1744245E+03 4.4860 13 Na+ 0.3460439E-01 0.3568613E-01 0.8179134E+03 5.3733 14 Mn++ 0.5271743E-09 0.3265661E-08 0.1788614E-03 4.1373 15 Zn++ 0.3718413E-13 0.1842533E-07 0.1200788E-02 -0.0156 16 Cu+ 0.7626755E-13 0.4689785E-07 0.2970796E-02 -6.2836 17 Pb++ 0.4657639E-13 0.6522496E-08 0.1347272E-02 0.0917 18 Hg++ 0.7498322E-35 0.4175800E-10 0.8350676E-05 -21.7035 19 F- 0.2848093E-03 0.2936504E-03 0.5561747E+01 3.2842 Component Tot moles Aq. moles Solid moles Gas moles 1 H+ 0.1822172E+00 0.2644233E-02 -.1483855E-05 0.1795745E+00 2 H2O 0.5550825E+02 0.4609034E+02 -.7969949E-02 0.9425880E+01 3 Cl- 0.3072017E-01 0.3072017E-01 0.0000000E+00 0.4773602E-09 4 SO4-- -.4257700E-02 -.1162836E-04 0.5857781E-09 -.4246072E-02 5 HCO3- 0.1832100E+00 0.4441756E-02 0.0000000E+00 0.1787682E+00 6 HS- 0.9985820E-02 0.6874906E-03 0.2384298E-07 0.9298305E-02 7 H4SiO4 0.7855346E-02 0.3869946E-02 0.3985400E-02 0.0000000E+00 8 Al+++ 0.2253680E-05 0.1947890E-05 0.3057898E-06 0.0000000E+00 9 Ca++ 0.3561400E-04 0.3561400E-04 0.0000000E+00 0.0000000E+00 10 Mg++ 0.2355503E-06 0.8755986E-07 0.1479904E-06 0.0000000E+00 11 Fe++ 0.8017372E-08 0.3880726E-09 0.7629299E-08 0.0000000E+00 12 K+ 0.3715700E-02 0.3715455E-02 0.2454049E-06 0.0000000E+00 13 Na+ 0.2963300E-01 0.2963300E-01 0.0000000E+00 0.0000000E+00 14 Mn++ 0.2740424E-08 0.2711735E-08 0.2868854E-10 0.0000000E+00 15 Zn++ 0.1530000E-07 0.1530000E-07 0.0000000E+00 0.0000000E+00 16 Cu+ 0.6237410E-07 0.3894298E-07 0.2343112E-07 0.0000000E+00 17 Pb++ 0.1110000E-07 0.5416142E-08 0.5683858E-08 0.0000000E+00 18 Hg++ 0.4000000E-08 0.3467495E-10 0.0000000E+00 0.3965325E-08 19 F- 0.2439100E-03 0.2438411E-03 0.0000000E+00 0.6893102E-07 Chg. balance for solid moles: 0.1386E-16 Mass of aqueous solution: 0.832920E+03 g Temperature = 212.00 C Pressure = 19.90 bar Mixer frac. = 0.0000000 Log Log Vol Gas or mineral Moles Moles Grams Grams Wt.% (cm3) H2O,gas 9.593 0.982 172.8 2.237 95.59 0.1728E+05 CO2,gas 0.1759 -0.755 7.743 0.889 4.284 370.4 CH4,gas 0.2831E-02 -2.548 0.4541E-01 -1.343 0.2512E-01 6.341 H2,gas 0.5659E-02 -2.247 0.1143E-01 -1.942 0.6325E-02 11.56 H2S,gas 0.5052E-02 -2.297 0.1722 -0.764 0.9526E-01 9.873 CO,gas 0.6395E-06 -6.194 0.1791E-04 -4.747 0.9910E-05 0.1296E-02 SO2,gas 0.6561E-13 -13.183 0.4203E-11 -11.376 0.2325E-11 0.1330E-09 HF,gas 0.6893E-07 -7.162 0.1379E-05 -5.861 0.7627E-06 0.1397E-03 HCl,gas 0.4774E-09 -9.321 0.1740E-07 -7.759 0.9629E-08 0.9674E-06 Hg,gas 0.3965E-08 -8.402 0.7954E-06 -6.099 0.4401E-06 0.8036E-05 clinochlore 0.2960E-07 -7.529 0.1645E-04 -4.784 0.6870E-02 0.6258E-05 daphnite 0.5886E-09 -9.230 0.4200E-06 -6.377 0.1754E-03 0.1273E-06 chlorite-Mn 0.5738E-11 -11.241 0.4068E-08 -8.391 0.1699E-05 0.1296E-08 microcline 0.2454E-06 -6.610 0.6831E-04 -4.166 0.2852E-01 0.2668E-04 quartz 0.3985E-02 -2.400 0.2394 -0.621 99.96 0.9041E-01 bornite 0.4686E-08 -8.329 0.2352E-05 -5.629 0.9819E-03 0.4626E-06 galena 0.5684E-08 -8.245 0.1360E-05 -5.867 0.5678E-03 0.1790E-06 Partial press. Fugacity coef Log fugacity Gas or Mineral Mole fraction or activity Activity coef Log activity H2O,gas 0.9806E+00 0.1952E+02 0.9015 1.245 CO2,gas 0.1798E-01 0.3580E+00 1.0153 -0.440 CH4,gas 0.2894E-03 0.5760E-02 1.0958 -2.200 H2,gas 0.5785E-03 0.1151E-01 1.0082 -1.935 H2S,gas 0.5164E-03 0.1028E-01 0.9644 -2.004 CO,gas 0.6537E-07 0.1301E-05 1.0000 -5.886 SO2,gas 0.6706E-14 0.1335E-12 1.0000 -12.875 HF,gas 0.7046E-08 0.1402E-06 1.0000 -6.853 HCl,gas 0.4880E-10 0.9712E-09 1.0000 -9.013 Hg,gas 0.4053E-09 0.8068E-08 1.0000 -8.093 clinochlore 0.9803E+00 0.9803E+00 1.0000 -0.009 daphnite 0.1950E-01 0.1950E-01 1.0000 -1.710 chlorite-Mn 0.1900E-03 0.1900E-03 1.0000 -3.721 microcline 0.1000E+01 0.1000E+01 1.0000 0.000 quartz 0.1000E+01 0.1000E+01 1.0000 0.000 bornite 0.1000E+01 0.1000E+01 1.0000 0.000 galena 0.1000E+01 0.1000E+01 1.0000 0.000 Current weight percent of gas: 17.826851 % Solid products produced: Mass = 0.239482 g Volume = 0.090439 cm3 WARNING: mineral volume may be in error because some mineral densities were not supplied in SOLTHERM. See mineral list in file Skip_Species.txt. NON-Ideal mixing with H2O, CO2, CH4 Gases ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ The following gases and minerals are presently in matrix or were just added Gas or Mineral Log K Log Q Log(Q/K) Log(Q/K)/S Affinity Log Fugacity 1 H2O,gas 0.05 0.05 -0.00 -0.000 0.44102E-09 2 CO2,gas -8.03 -8.03 0.00 0.000 -0.15774E-09 3 CH4,gas 4.41 4.41 0.00 0.000 -0.41603E-09 4 H2,gas 5.90 5.90 0.00 0.000 -0.31548E-10 5 H2S,gas -7.11 -7.11 -0.00 -0.000 0.13999E-09 6 CO,gas 0.09 0.09 -0.00 -0.000 0.19717E-11 7 SO2,gas -4.25 -4.25 0.00 0.000 -0.39435E-11 8 HF,gas -2.51 -2.51 0.00 0.000 -0.19717E-11 9 HCl,gas 1.76 1.76 -0.00 -0.000 0.39435E-11 10 Hg,gas -9.64 -9.64 0.00 0.000 -0.39435E-11 43 clinochlore 20.42 20.42 0.00 0.000 -0.47321E-10 44 daphnite 12.30 12.30 -0.00 -0.000 0.11830E-10 45 chlorite-Mn 28.58 28.58 0.00 0.000 -0.63095E-10 115 microcline -4.38 -4.38 0.00 0.000 0.00000E+00 146 quartz -2.34 -2.34 0.00 0.000 0.00000E+00 198 bornite -71.51 -71.51 0.00 0.000 0.00000E+00 249 galena -10.32 -10.32 0.00 0.000 -0.39435E-11 The following gases and minerals are presently EXCLUDED from matrix (Gases and minerals with log(Q/K) less than -5 are not listed below) Gas or Mineral Log K Log Q Log(Q/K) Log(Q/K)/S Affinity Log Fugacity 11 acmite 5.50 2.25 -3.24 -0.337 0.72018E+04 15 albite-high -2.43 -3.49 -1.06 -0.082 0.23604E+04 16 albite -3.05 -3.49 -0.44 -0.034 0.97556E+03 20 analcite 0.01 -1.15 -1.16 -0.129 0.25755E+04 21 andalusite -2.77 -6.03 -3.27 -0.327 0.72507E+04 22 andradite 26.62 22.62 -3.99 -0.208 0.88677E+04 23 grossular 17.87 15.81 -2.06 -0.103 0.45719E+04 24 anhydrite -7.53 -12.25 -4.72 -2.359 0.10476E+05 25 ankerite -4.96 -7.79 -2.83 -0.472 0.62894E+04 27 phlogopite 15.70 14.28 -1.42 -0.079 0.31563E+04 29 anorthite 2.42 0.47 -1.95 -0.150 0.43272E+04 32 aragonite -0.58 -0.92 -0.34 -0.115 0.76520E+03 33 brucite 9.12 6.22 -2.90 -0.580 0.64340E+04 34 calcite -0.73 -0.92 -0.19 -0.064 0.42439E+03 35 carnegieite-low 4.33 1.19 -3.14 -0.448 0.69675E+04 36 carnegieite-high 4.96 1.19 -3.77 -0.539 0.83758E+04 37 carpholite-Mg 0.13 -2.15 -2.28 -0.152 0.50688E+04 38 carpholite-Fe -1.38 -5.48 -4.10 -0.273 0.90973E+04 39 celadonite 1.39 -0.50 -1.89 -0.111 0.42030E+04 40 celadonite-Fe 0.08 -3.83 -3.91 -0.230 0.86784E+04 41 chrysotile 16.31 13.98 -2.34 -0.195 0.51891E+04 46 chlorite-Al-free 32.27 27.95 -4.32 -0.180 0.95826E+04 47 chloritoid-Mg 3.17 0.19 -2.99 -0.199 0.66301E+04 48 chloritoid-Fe 0.13 -3.14 -3.27 -0.218 0.72671E+04 49 chloritoid-Mn 2.34 -1.90 -4.24 -0.283 0.94130E+04 51 coesite -1.85 -2.34 -0.49 -0.164 0.10907E+04 56 corundum -0.12 -3.69 -3.57 -0.325 0.79312E+04 58 cristobalite -2.09 -2.34 -0.25 -0.084 0.56179E+03 61 cymrite-K -1.01 -4.38 -3.37 -0.281 0.74794E+04 63 diaspore -0.66 -1.85 -1.19 -0.198 0.26311E+04 64 diamond -2.04 -4.42 -2.39 -0.681 0.52950E+04 65 diopside 10.98 10.38 -0.60 -0.060 0.13279E+04 66 hedenbergite 9.37 7.05 -2.31 -0.231 0.51315E+04 67 dolomite,ordered -2.81 -4.47 -1.66 -0.277 0.36868E+04 68 eastonite 11.25 6.70 -4.55 -0.175 0.10100E+05 69 enstatite 11.07 7.76 -3.31 -0.331 0.73434E+04 70 clinoenstatite-HiP 11.91 7.76 -4.16 -0.416 0.92242E+04 71 clinoenstatite 10.99 7.76 -3.24 -0.324 0.71820E+04 72 protoenstatite 11.44 7.76 -3.68 -0.368 0.81751E+04 73 epidote 10.66 8.53 -2.13 -0.103 0.47281E+04 74 clinozoisite 7.11 5.12 -1.99 -0.090 0.44118E+04 75 epidote-Fe 16.80 11.93 -4.86 -0.253 0.10795E+05 78 forsterite 13.95 10.10 -3.85 -0.551 0.85573E+04 81 gibbsite 0.65 -1.85 -2.50 -0.357 0.55437E+04 82 glaucophane 10.43 6.99 -3.44 -0.093 0.76323E+04 84 goethite 4.03 1.56 -2.48 -0.535 0.54976E+04 85 graphite -2.43 -4.42 -1.99 -0.570 0.44283E+04 88 halite 1.17 -3.18 -4.35 -2.177 0.96650E+04 89 hematite 7.31 3.12 -4.20 -0.509 0.93152E+04 90 heulandite -10.76 -11.23 -0.47 -0.021 0.10491E+04 94 jadeite 0.91 -1.15 -2.07 -0.207 0.45850E+04 96 kalsilite 3.38 0.30 -3.08 -0.440 0.68416E+04 97 kaolinite -6.43 -8.37 -1.95 -0.177 0.43192E+04 98 kyanite -2.75 -6.03 -3.29 -0.329 0.72940E+04 100 laumontite -3.53 -4.21 -0.68 -0.046 0.15177E+04 101 lawsonite 1.72 0.47 -1.26 -0.084 0.27865E+04 102 leucite 0.44 -2.04 -2.48 -0.248 0.55165E+04 104 lizardite 15.97 13.98 -1.99 -0.166 0.44263E+04 105 magnesite -1.37 -3.55 -2.18 -0.726 0.48346E+04 108 minnesotaite-Mg 13.19 9.30 -3.89 -0.229 0.86366E+04 112 margarite 0.26 -3.22 -3.48 -0.139 0.77248E+04 116 monticellite 17.20 12.72 -4.48 -0.640 0.99461E+04 118 mullite-Si -1.13 -6.03 -4.90 -0.490 0.10880E+05 119 muscovite -6.39 -8.07 -1.68 -0.099 0.37343E+04 120 paragonite -5.30 -7.19 -1.88 -0.111 0.41811E+04 121 nepheline 3.77 1.19 -2.58 -0.369 0.57357E+04 127 periclase-Fe 7.76 2.89 -4.87 -1.217 0.10810E+05 133 phlogopite-Na 17.40 15.16 -2.24 -0.125 0.49776E+04 135 prehnite 8.01 6.97 -1.03 -0.061 0.22966E+04 136 prehnite-Fe 12.41 10.38 -2.03 -0.122 0.45096E+04 137 pumpellyite-Fe 18.98 14.99 -3.99 -0.089 0.88574E+04 138 pumpellyite-Mg 21.11 18.31 -2.80 -0.062 0.62157E+04 140 px-Ca-tschermaks 7.30 2.81 -4.49 -0.321 0.99647E+04 141 pyrite -19.53 -20.60 -1.07 -0.251 0.23697E+04 142 pyrrhotite -5.39 -7.52 -2.13 -0.708 0.47183E+04 143 pyrrhotiteFe0.875 -6.66 -8.21 -1.55 -0.571 0.34451E+04 144 pyroxmangite 5.00 1.80 -3.20 -0.640 0.71037E+04 145 pyrophyllite -10.76 -13.05 -2.30 -0.144 0.50984E+04 151 rhodochrosite -2.22 -5.63 -3.41 -1.135 0.75616E+04 152 rhodonite 5.02 1.80 -3.22 -0.644 0.71519E+04 153 sanidine -3.45 -4.38 -0.93 -0.072 0.20673E+04 155 siderite -3.94 -6.87 -2.93 -0.977 0.65081E+04 156 sillimanite -2.60 -6.03 -3.43 -0.343 0.76238E+04 163 stilbite -10.21 -11.23 -1.02 -0.048 0.22608E+04 165 stilpnomelane-Mg 11.72 10.92 -0.80 -0.024 0.17796E+04 166 stishovite 2.26 -2.34 -4.60 -1.533 0.10212E+05 168 sudoite 2.97 -1.97 -4.93 -0.159 0.10955E+05 169 sulfur -8.67 -13.08 -4.41 -1.356 0.97869E+04 171 talc 10.09 9.30 -0.79 -0.046 0.17523E+04 173 talc-tschermaks 6.45 1.72 -4.73 -0.278 0.10493E+05 178 topaz-H -2.15 -6.03 -3.88 -0.353 0.86158E+04 179 tridymite -2.12 -2.34 -0.22 -0.075 0.49700E+03 180 tremolite 31.19 30.06 -1.13 -0.031 0.25170E+04 182 troilite-low -5.44 -7.52 -2.08 -0.692 0.46068E+04 188 wairakite -3.62 -4.21 -0.59 -0.035 0.13059E+04 189 walstromite 8.41 6.50 -1.91 -0.381 0.42340E+04 190 wollastonite 7.62 6.50 -1.11 -0.223 0.24708E+04 191 pseudo-wollastonite 7.97 6.50 -1.47 -0.294 0.32628E+04 192 zoisite 7.15 5.12 -2.03 -0.092 0.44991E+04 193 beidellite-Ca -8.47 -11.43 -2.97 -0.183 0.65831E+04 194 beidellite-H -8.86 -12.89 -4.03 -0.257 0.89379E+04 195 beidellite-K -7.94 -11.41 -3.46 -0.212 0.76914E+04 196 beidellite-Mg -8.69 -11.86 -3.18 -0.196 0.70499E+04 197 beidellite-Na -7.88 -11.12 -3.24 -0.198 0.71955E+04 200 chalcedony -2.20 -2.34 -0.14 -0.048 0.32082E+03 201 chalcocite -21.60 -22.98 -1.38 -0.344 0.30567E+04 202 covellite -16.05 -18.03 -1.98 -0.756 0.44062E+04 204 montmorillonite-Ca -7.18 -8.93 -1.75 -0.108 0.38928E+04 205 montmorillonite-K -6.77 -8.91 -2.14 -0.131 0.47565E+04 206 montmorillonite-Mg -7.43 -9.37 -1.94 -0.120 0.42992E+04 207 montmorillonite-Na -6.63 -8.62 -1.99 -0.122 0.44168E+04 209 nontronite-Ca -0.49 -4.62 -4.13 -0.268 0.91711E+04 211 nontronite-K 0.03 -4.60 -4.63 -0.297 0.10279E+05 212 nontronite-Mg -0.71 -5.06 -4.34 -0.282 0.96454E+04 213 nontronite-Na 0.10 -4.31 -4.41 -0.283 0.97860E+04 229 tobermorite 8.46 5.03 -3.44 -0.937 0.76268E+04 235 alabandite -2.55 -6.27 -3.72 -1.241 0.82680E+04 240 boehmite 0.32 -1.85 -2.17 -0.362 0.48170E+04 242 chalcopyrite -24.84 -25.55 -0.71 -0.131 0.15653E+04 245 copper,native -1.39 -4.95 -3.56 -1.237 0.78932E+04 246 dolomite,disordered -2.41 -4.47 -2.06 -0.343 0.45702E+04 247 ferrous-oxide 6.32 2.89 -3.43 -0.858 0.76159E+04 248 fluorite -10.94 -12.48 -1.54 -0.512 0.34104E+04 257 silica-amorphous -1.75 -2.34 -0.59 -0.196 0.13058E+04 260 sphalerite -9.99 -10.43 -0.43 -0.145 0.96244E+03 261 wurtzite -8.59 -10.43 -1.84 -0.613 0.40856E+04 263 an20ab80 -2.18 -2.70 -0.52 -0.040 0.11634E+04 264 an25ab75 -1.93 -2.50 -0.57 -0.044 0.12715E+04 265 an30ab70 -1.68 -2.30 -0.63 -0.048 0.13915E+04 266 tr.625ac.25prg.125 27.34 25.69 -1.65 -0.045 0.36736E+04 271 FeS-amorphous -3.85 -7.52 -3.67 -1.223 0.81433E+04 Calculations done for 212.0000 Deg. C; 19.9042 bar Enthalpies: Pure water 3.9107 kcal/mole H2O,gas 12.0731 kcal/mole CO2,gas 2.5545 kcal/mole CH4,gas 2.4765 kcal/mole Current solution 180.2531 Gas 116.2775 kcal Total current enthalpy 296.5306 kcal Starting enthalpy 296.5306 kcal Temperature changed by -2.000 degrees to 210.000 degrees C. Solids and gases carried ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ Test file for CHIM-XPT. Boil Broadlands Water Water similar to Broadlands Well No. 2 CHIMRUN demo-2a ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ Number of loops used = 12 Loop limit = 200 Temperature = 210.00 C Pressure = 19.12 bar Mixer fraction = 0.0000000 Total current enthalpy = 296.5306 KCAL Water: Moles liquid = 0.4587E+02 kg liquid = 0.8264E+00 Moles total = 0.5551E+02 kg total = 0.1000E+01 Activity = 0.9999 Stoichiometric ionic strength = .4196797E-01 Osmotic coef. = 0.9128 True ionic strength = .3937037E-01 Chg. balance for total moles = 0.2402E-07 Max. difference allowed = 0.3072E-05 Log Log Log Species(n) Molality Molality Activity Activity Gamma Gamma 1 H+ 0.14085E-06 -6.8512 0.10389E-06 -6.9834 0.73759E+00 -0.1322 2 H2O 0.99994E+00 -0.0000 0.99994E+00 -0.0000 3 Cl- 0.36177E-01 -1.4416 0.26344E-01 -1.5793 0.72820E+00 -0.1378 4 SO4-- 0.25342E-06 -6.5962 0.77612E-07 -7.1101 0.30626E+00 -0.5139 5 HCO3- 0.22222E-02 -2.6532 0.16271E-02 -2.7886 0.73224E+00 -0.1353 6 HS- 0.49824E-03 -3.3026 0.36303E-03 -3.4401 0.72863E+00 -0.1375 7 H4SiO4 0.44770E-02 -2.3490 0.44770E-02 -2.3490 0.10000E+01 0.0000 8 Al+++ 0.25707E-21 -21.5899 0.17614E-22 -22.7541 0.68518E-01 -1.1642 9 Ca++ 0.27006E-04 -4.5685 0.80965E-05 -5.0917 0.29981E+00 -0.5232 10 Mg++ 0.66621E-07 -7.1764 0.19660E-07 -7.7064 0.29510E+00 -0.5300 11 Fe++ 0.28629E-10 -10.5432 0.84814E-11 -11.0715 0.29625E+00 -0.5283 12 K+ 0.44776E-02 -2.3490 0.32834E-02 -2.4837 0.73330E+00 -0.1347 13 Na+ 0.34795E-01 -1.4585 0.25343E-01 -1.5961 0.72836E+00 -0.1377 14 Mn++ 0.54880E-09 -9.2606 0.16306E-09 -9.7877 0.29711E+00 -0.5271 15 Zn++ 0.40225E-13 -13.3955 0.11917E-13 -13.9238 0.29625E+00 -0.5283 16 Cu+ 0.68754E-13 -13.1627 0.50068E-13 -13.3004 0.72822E+00 -0.1377 17 Pb++ 0.43563E-13 -13.3609 0.13188E-13 -13.8798 0.30274E+00 -0.5189 18 Hg++ 0.62713E-35 -35.2026 0.18898E-35 -35.7236 0.30135E+00 -0.5209 19 F- 0.28650E-03 -3.5429 0.20653E-03 -3.6850 0.72087E+00 -0.1421 21 HSiO3- 0.74323E-04 -4.1289 0.54121E-04 -4.2666 0.72820E+00 -0.1378 22 Ca(HSiO3)+ 0.13479E-06 -6.8703 0.98916E-07 -7.0047 0.73383E+00 -0.1344 23 Mg(HSiO3)+ 0.26397E-09 -9.5784 0.19371E-09 -9.7128 0.73383E+00 -0.1344 24 NaHSiO3,aq 0.14746E-04 -4.8313 0.14746E-04 -4.8313 0.10000E+01 0.0000 27 HAlO2,aq 0.71135E-08 -8.1479 0.71135E-08 -8.1479 0.10000E+01 0.0000 28 AlO2- 0.22409E-05 -5.6496 0.16179E-05 -5.7910 0.72201E+00 -0.1415 29 CH4,aq 0.85654E-05 -5.0673 0.84554E-05 -5.0729 0.98716E+00 -0.0056 34 CO,aq 0.20666E-08 -8.6847 0.20666E-08 -8.6847 0.10000E+01 0.0000 35 CO2,aq 0.28673E-02 -2.5425 0.28305E-02 -2.5481 0.98716E+00 -0.0056 36 CO3-2 0.15052E-05 -5.8224 0.45787E-06 -6.3393 0.30419E+00 -0.5169 37 CaCO3,aq 0.13639E-05 -5.8652 0.13639E-05 -5.8652 0.10000E+01 0.0000 38 Ca(HCO3)+ 0.57054E-05 -5.2437 0.41868E-05 -5.3781 0.73383E+00 -0.1344 39 CaCl+ 0.64593E-05 -5.1898 0.47400E-05 -5.3242 0.73383E+00 -0.1344 40 CaCl2,aq 0.58166E-07 -7.2353 0.58166E-07 -7.2353 0.10000E+01 0.0000 41 CaF+ 0.50069E-06 -6.3004 0.36742E-06 -6.4348 0.73383E+00 -0.1344 42 CaOH+ 0.18641E-05 -5.7295 0.13679E-05 -5.8639 0.73383E+00 -0.1344 43 CaSO4,aq 0.22683E-08 -8.6443 0.22683E-08 -8.6443 0.10000E+01 0.0000 44 HCl,aq 0.24435E-08 -8.6120 0.24435E-08 -8.6120 0.10000E+01 0.0000 61 HF,aq 0.19974E-05 -5.6995 0.19974E-05 -5.6995 0.10000E+01 0.0000 62 HF2- 0.18238E-09 -9.7390 0.13281E-09 -9.8768 0.72820E+00 -0.1378 69 FeO,aq 0.11197E-09 -9.9509 0.11197E-09 -9.9509 0.10000E+01 0.0000 70 FeOH+ 0.16917E-09 -9.7717 0.12414E-09 -9.9061 0.73383E+00 -0.1344 71 HFeO2- 0.52873E-10 -10.2768 0.38502E-10 -10.4145 0.72820E+00 -0.1378 74 FeO2- 0.41584E-10 -10.3811 0.30281E-10 -10.5188 0.72820E+00 -0.1378 75 HFeO2,aq 0.16883E-10 -10.7725 0.16883E-10 -10.7725 0.10000E+01 0.0000 76 H2,aq 0.18518E-04 -4.7324 0.18280E-04 -4.7380 0.98716E+00 -0.0056 77 Hg,aq 0.38202E-10 -10.4179 0.37711E-10 -10.4235 0.98716E+00 -0.0056 90 KCl,aq 0.17739E-04 -4.7511 0.17739E-04 -4.7511 0.10000E+01 0.0000 92 KOH,aq 0.41203E-06 -6.3851 0.41203E-06 -6.3851 0.10000E+01 0.0000 93 KSO4- 0.35929E-07 -7.4446 0.26163E-07 -7.5823 0.72820E+00 -0.1378 94 MgCO3,aq 0.44137E-09 -9.3552 0.44137E-09 -9.3552 0.10000E+01 0.0000 95 Mg(HCO3)+ 0.13257E-07 -7.8775 0.97286E-08 -8.0120 0.73383E+00 -0.1344 96 MgCl+ 0.87698E-08 -8.0570 0.64356E-08 -8.1914 0.73383E+00 -0.1344 97 MgF+ 0.35486E-08 -8.4499 0.26040E-08 -8.5844 0.73383E+00 -0.1344 98 MgOH+ 0.15163E-07 -7.8192 0.11127E-07 -7.9536 0.73383E+00 -0.1344 101 MnO,aq 0.65376E-10 -10.1846 0.65376E-10 -10.1846 0.10000E+01 0.0000 102 MnOH+ 0.44741E-09 -9.3493 0.32833E-09 -9.4837 0.73383E+00 -0.1344 107 MnCl+ 0.12667E-08 -8.8973 0.92953E-09 -9.0317 0.73383E+00 -0.1344 109 NaCl,aq 0.97111E-03 -3.0127 0.97111E-03 -3.0127 0.10000E+01 0.0000 110 NaF,aq 0.60597E-05 -5.2176 0.60597E-05 -5.2176 0.10000E+01 0.0000 111 NaOH,aq 0.21918E-05 -5.6592 0.21918E-05 -5.6592 0.10000E+01 0.0000 113 OH- 0.76276E-04 -4.1176 0.55072E-04 -4.2591 0.72201E+00 -0.1415 124 Pb(HS)2,aq 0.55054E-08 -8.2592 0.55054E-08 -8.2592 0.10000E+01 0.0000 125 Pb(HS)3- 0.69920E-10 -10.1554 0.50916E-10 -10.2931 0.72820E+00 -0.1378 126 H2S,aq 0.28262E-03 -3.5488 0.27899E-03 -3.5544 0.98716E+00 -0.0056 127 S2-2 0.12224E-09 -9.9128 0.37183E-10 -10.4297 0.30419E+00 -0.5169 135 HSO4- 0.45865E-09 -9.3385 0.33749E-09 -9.4717 0.73582E+00 -0.1332 153 ZnO,aq 0.17156E-10 -10.7656 0.17156E-10 -10.7656 0.10000E+01 0.0000 154 ZnOH+ 0.21451E-09 -9.6685 0.15742E-09 -9.8029 0.73383E+00 -0.1344 164 Cu(HS)2- 0.45206E-07 -7.3448 0.32919E-07 -7.4826 0.72820E+00 -0.1378 166 CuH4S3-b 0.13113E-09 -9.8823 0.95489E-10 -10.0200 0.72820E+00 -0.1378 179 MgSO4,aq 0.19639E-10 -10.7069 0.19639E-10 -10.7069 0.10000E+01 0.0000 180 MnCl2,aq 0.38239E-09 -9.4175 0.38239E-09 -9.4175 0.10000E+01 0.0000 181 MnCl3- 0.63525E-10 -10.1971 0.46259E-10 -10.3348 0.72820E+00 -0.1378 182 MnCO3,aq 0.49980E-09 -9.3012 0.49980E-09 -9.3012 0.10000E+01 0.0000 183 NaCO3- 0.75801E-06 -6.1203 0.55198E-06 -6.2581 0.72820E+00 -0.1378 184 NaHCO3,aq 0.55067E-04 -4.2591 0.55067E-04 -4.2591 0.10000E+01 0.0000 185 NaHS,aq 0.12286E-04 -4.9106 0.12286E-04 -4.9106 0.10000E+01 0.0000 186 NaSO4- 0.71244E-07 -7.1473 0.51879E-07 -7.2850 0.72820E+00 -0.1378 187 PbCO3,aq 0.35830E-09 -9.4458 0.35830E-09 -9.4458 0.10000E+01 0.0000 188 PbOH+ 0.35809E-10 -10.4460 0.26278E-10 -10.5804 0.73383E+00 -0.1344 193 Zn(HS)2,aq 0.17867E-07 -7.7480 0.17867E-07 -7.7480 0.10000E+01 0.0000 194 Zn(HS)3- 0.40714E-09 -9.3903 0.29648E-09 -9.5280 0.72820E+00 -0.1378 Charge balance for all species = 0.2907E-07 Component Molality Aq.molality ppm log[A(N)/A(H+)**Z] (total) 1 H+ 0.1408485E-06 0.2964826E-02 0.2979267E+01 0.0000 2 H2O 0.1000000E+01 0.5550541E+02 0.9969017E+06 0.0000 3 Cl- 0.3617735E-01 0.3717279E-01 0.1313874E+04 5.4041 4 SO4-- 0.2534198E-06 -.1283196E-04 -.1228905E+01 6.8568 5 HCO3- 0.2222154E-02 0.5162408E-02 0.3140365E+03 4.1949 6 HS- 0.4982402E-03 0.8064788E-03 0.2659065E+02 3.5434 7 H4SiO4 0.4477033E-02 0.4566237E-02 0.4375493E+03 -2.3490 8 Al+++ 0.2570747E-21 0.2247979E-05 0.6046915E-01 -1.8038 9 Ca++ 0.2700584E-04 0.4309455E-04 0.1721884E+01 8.8752 10 Mg++ 0.6662143E-07 0.1080855E-06 0.2619773E-02 6.2605 11 Fe++ 0.2862909E-10 0.4269132E-09 0.2376922E-04 2.8953 12 K+ 0.4477571E-02 0.4495758E-02 0.1752579E+03 4.4998 13 Na+ 0.3479498E-01 0.3585727E-01 0.8218414E+03 5.3873 14 Mn++ 0.5488016E-09 0.3281682E-08 0.1797401E-03 4.1792 15 Zn++ 0.4022529E-13 0.1851369E-07 0.1206555E-02 0.0430 16 Cu+ 0.6875400E-13 0.4535377E-07 0.2873003E-02 -6.3170 17 Pb++ 0.4356309E-13 0.5981466E-08 0.1235526E-02 0.0871 18 Hg++ 0.6271336E-35 0.3857617E-10 0.7714432E-05 -21.7567 19 F- 0.2865011E-03 0.2950628E-03 0.5588535E+01 3.2984 Component Tot moles Aq. moles Solid moles Gas moles 1 H+ 0.1822172E+00 0.2450178E-02 -.1842440E-05 0.1797689E+00 2 H2O 0.5550825E+02 0.4587052E+02 -.8162448E-02 0.9645898E+01 3 Cl- 0.3072017E-01 0.3072017E-01 0.0000000E+00 0.4468935E-09 4 SO4-- -.4257700E-02 -.1060453E-04 0.6223263E-09 -.4247096E-02 5 HCO3- 0.1832100E+00 0.4266293E-02 0.0000000E+00 0.1789437E+00 6 HS- 0.9985820E-02 0.6664865E-03 0.2544894E-07 0.9319308E-02 7 H4SiO4 0.7855346E-02 0.3773608E-02 0.4081738E-02 0.0000000E+00 8 Al+++ 0.2253680E-05 0.1857764E-05 0.3959160E-06 0.0000000E+00 9 Ca++ 0.3561400E-04 0.3561400E-04 0.0000000E+00 0.0000000E+00 10 Mg++ 0.2355503E-06 0.8932350E-07 0.1462268E-06 0.0000000E+00 11 Fe++ 0.8017372E-08 0.3528076E-09 0.7664564E-08 0.0000000E+00 12 K+ 0.3715700E-02 0.3715364E-02 0.3363396E-06 0.0000000E+00 13 Na+ 0.2963300E-01 0.2963300E-01 0.0000000E+00 0.0000000E+00 14 Mn++ 0.2740424E-08 0.2712033E-08 0.2839099E-10 0.0000000E+00 15 Zn++ 0.1530000E-07 0.1530000E-07 0.0000000E+00 0.0000000E+00 16 Cu+ 0.6237410E-07 0.3748105E-07 0.2489305E-07 0.0000000E+00 17 Pb++ 0.1110000E-07 0.4943175E-08 0.6156825E-08 0.0000000E+00 18 Hg++ 0.4000000E-08 0.3187994E-10 0.0000000E+00 0.3968120E-08 19 F- 0.2439100E-03 0.2438444E-03 0.0000000E+00 0.6555770E-07 Chg. balance for solid moles: -.7874E-17 Mass of aqueous solution: 0.828939E+03 g Temperature = 210.00 C Pressure = 19.12 bar Mixer frac. = 0.0000000 Log Log Vol Gas or mineral Moles Moles Grams Grams Wt.% (cm3) H2O,gas 9.814 0.992 176.7 2.247 95.68 0.1839E+05 CO2,gas 0.1761 -0.754 7.751 0.889 4.196 384.2 CH4,gas 0.2834E-02 -2.548 0.4545E-01 -1.342 0.2461E-01 6.564 H2,gas 0.5653E-02 -2.248 0.1142E-01 -1.942 0.6182E-02 11.97 H2S,gas 0.5072E-02 -2.295 0.1729 -0.762 0.9358E-01 10.29 CO,gas 0.5985E-06 -6.223 0.1677E-04 -4.776 0.9076E-05 0.1258E-02 SO2,gas 0.5964E-13 -13.224 0.3820E-11 -11.418 0.2068E-11 0.1253E-09 HF,gas 0.6556E-07 -7.183 0.1311E-05 -5.882 0.7098E-06 0.1378E-03 HCl,gas 0.4469E-09 -9.350 0.1629E-07 -7.788 0.8821E-08 0.9391E-06 Hg,gas 0.3968E-08 -8.401 0.7960E-06 -6.099 0.4309E-06 0.8339E-05 clinochlore 0.2925E-07 -7.534 0.1626E-04 -4.789 0.6627E-02 0.6183E-05 daphnite 0.5372E-09 -9.270 0.3833E-06 -6.416 0.1563E-03 0.1161E-06 chlorite-Mn 0.5678E-11 -11.246 0.4026E-08 -8.395 0.1641E-05 0.1283E-08 microcline 0.3363E-06 -6.473 0.9362E-04 -4.029 0.3817E-01 0.3657E-04 quartz 0.4081E-02 -2.389 0.2452 -0.611 99.95 0.9258E-01 bornite 0.4979E-08 -8.303 0.2498E-05 -5.602 0.1019E-02 0.4915E-06 galena 0.6157E-08 -8.211 0.1473E-05 -5.832 0.6005E-03 0.1939E-06 Partial press. Fugacity coef Log fugacity Gas or Mineral Mole fraction or activity Activity coef Log activity H2O,gas 0.9810E+00 0.1875E+02 0.9038 1.229 CO2,gas 0.1761E-01 0.3365E+00 1.0158 -0.466 CH4,gas 0.2833E-03 0.5415E-02 1.0934 -2.228 H2,gas 0.5651E-03 0.1080E-01 1.0079 -1.963 H2S,gas 0.5071E-03 0.9693E-02 0.9653 -2.029 CO,gas 0.5983E-07 0.1144E-05 1.0000 -5.942 SO2,gas 0.5962E-14 0.1140E-12 1.0000 -12.943 HF,gas 0.6554E-08 0.1253E-06 1.0000 -6.902 HCl,gas 0.4468E-10 0.8540E-09 1.0000 -9.069 Hg,gas 0.3967E-09 0.7583E-08 1.0000 -8.120 clinochlore 0.9818E+00 0.9818E+00 1.0000 -0.008 daphnite 0.1803E-01 0.1803E-01 1.0000 -1.744 chlorite-Mn 0.1906E-03 0.1906E-03 1.0000 -3.720 microcline 0.1000E+01 0.1000E+01 1.0000 0.000 quartz 0.1000E+01 0.1000E+01 1.0000 0.000 bornite 0.1000E+01 0.1000E+01 1.0000 0.000 galena 0.1000E+01 0.1000E+01 1.0000 0.000 Current weight percent of gas: 18.218823 % Solid products produced: Mass = 0.245279 g Volume = 0.092628 cm3 WARNING: mineral volume may be in error because some mineral densities were not supplied in SOLTHERM. See mineral list in file Skip_Species.txt. NON-Ideal mixing with H2O, CO2, CH4 Gases ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ The following gases and minerals are presently in matrix or were just added Gas or Mineral Log K Log Q Log(Q/K) Log(Q/K)/S Affinity Log Fugacity 1 H2O,gas 0.05 0.05 -0.00 -0.000 0.32935E-09 2 CO2,gas -8.02 -8.02 0.00 0.000 -0.11782E-09 3 CH4,gas 4.39 4.39 0.00 0.000 -0.31221E-09 4 H2,gas 5.91 5.91 0.00 0.000 -0.21600E-10 5 H2S,gas -7.11 -7.11 -0.00 -0.000 0.10800E-09 6 CO,gas 0.11 0.11 -0.00 -0.000 0.49090E-12 7 SO2,gas -4.19 -4.19 0.00 0.000 -0.58908E-11 8 HF,gas -2.48 -2.48 -0.00 -0.000 0.19636E-11 9 HCl,gas 1.79 1.79 -0.00 -0.000 0.39272E-11 10 Hg,gas -9.69 -9.69 -0.00 -0.000 0.39272E-11 43 clinochlore 20.69 20.69 -0.00 -0.000 0.78544E-11 44 daphnite 12.54 12.54 -0.00 -0.000 0.27490E-10 45 chlorite-Mn 28.84 28.84 -0.00 -0.000 0.78544E-11 115 microcline -4.35 -4.35 -0.00 -0.000 0.11782E-10 146 quartz -2.35 -2.35 -0.00 -0.000 0.98180E-12 198 bornite -71.72 -71.72 0.00 0.000 0.00000E+00 249 galena -10.34 -10.34 0.00 0.000 -0.39272E-11 The following gases and minerals are presently EXCLUDED from matrix (Gases and minerals with log(Q/K) less than -5 are not listed below) Gas or Mineral Log K Log Q Log(Q/K) Log(Q/K)/S Affinity Log Fugacity 11 acmite 5.53 2.25 -3.27 -0.340 0.72378E+04 15 albite-high -2.38 -3.46 -1.08 -0.083 0.23857E+04 16 albite -3.01 -3.46 -0.45 -0.035 0.99288E+03 20 analcite 0.05 -1.11 -1.17 -0.130 0.25843E+04 21 andalusite -2.65 -5.96 -3.30 -0.330 0.73055E+04 22 andradite 26.80 22.71 -4.09 -0.212 0.90404E+04 23 grossular 18.09 15.97 -2.12 -0.106 0.46827E+04 24 anhydrite -7.49 -12.20 -4.72 -2.358 0.10427E+05 25 ankerite -4.91 -7.77 -2.87 -0.478 0.63343E+04 27 phlogopite 15.86 14.43 -1.43 -0.079 0.31574E+04 29 anorthite 2.57 0.57 -2.00 -0.154 0.44201E+04 32 aragonite -0.55 -0.90 -0.35 -0.116 0.76786E+03 33 brucite 9.16 6.26 -2.90 -0.581 0.64201E+04 34 calcite -0.70 -0.90 -0.19 -0.065 0.42828E+03 35 carnegieite-low 4.39 1.23 -3.16 -0.451 0.69824E+04 36 carnegieite-high 5.03 1.23 -3.80 -0.543 0.83980E+04 37 carpholite-Mg 0.25 -2.05 -2.30 -0.153 0.50789E+04 38 carpholite-Fe -1.26 -5.41 -4.15 -0.276 0.91682E+04 39 celadonite 1.45 -0.44 -1.89 -0.111 0.41764E+04 40 celadonite-Fe 0.14 -3.80 -3.94 -0.232 0.87168E+04 41 chrysotile 16.42 14.08 -2.33 -0.195 0.51620E+04 46 chlorite-Al-free 32.47 28.17 -4.31 -0.179 0.95226E+04 47 chloritoid-Mg 3.32 0.30 -3.01 -0.201 0.66633E+04 48 chloritoid-Fe 0.27 -3.06 -3.33 -0.222 0.73556E+04 49 chloritoid-Mn 2.48 -1.78 -4.25 -0.284 0.94060E+04 51 coesite -1.86 -2.35 -0.49 -0.164 0.10901E+04 56 corundum 0.00 -3.61 -3.61 -0.328 0.79859E+04 58 cristobalite -2.09 -2.35 -0.26 -0.085 0.56447E+03 61 cymrite-K -0.97 -4.35 -3.38 -0.282 0.74717E+04 63 diaspore -0.61 -1.80 -1.19 -0.199 0.26410E+04 64 diamond -2.05 -4.45 -2.39 -0.684 0.52924E+04 65 diopside 11.05 10.44 -0.61 -0.061 0.13595E+04 66 hedenbergite 9.44 7.07 -2.36 -0.236 0.52247E+04 67 dolomite,ordered -2.75 -4.41 -1.66 -0.277 0.36707E+04 68 eastonite 11.50 6.91 -4.59 -0.177 0.10150E+05 69 enstatite 11.15 7.82 -3.33 -0.333 0.73599E+04 70 clinoenstatite-HiP 12.00 7.82 -4.18 -0.418 0.92405E+04 71 clinoenstatite 11.08 7.82 -3.26 -0.326 0.71983E+04 72 protoenstatite 11.53 7.82 -3.71 -0.371 0.81937E+04 73 epidote 10.86 8.66 -2.20 -0.107 0.48735E+04 74 clinozoisite 7.34 5.29 -2.05 -0.093 0.45317E+04 75 epidote-Fe 16.99 12.03 -4.96 -0.258 0.10963E+05 78 forsterite 14.05 10.17 -3.88 -0.554 0.85749E+04 81 gibbsite 0.70 -1.80 -2.50 -0.358 0.55360E+04 82 glaucophane 10.61 7.16 -3.45 -0.093 0.76282E+04 84 goethite 4.07 1.56 -2.51 -0.542 0.55384E+04 85 graphite -2.44 -4.45 -2.00 -0.572 0.44276E+04 88 halite 1.18 -3.18 -4.36 -2.179 0.96356E+04 89 hematite 7.39 3.13 -4.26 -0.516 0.94204E+04 90 heulandite -10.69 -11.18 -0.49 -0.022 0.10818E+04 94 jadeite 0.96 -1.11 -2.07 -0.207 0.45874E+04 96 kalsilite 3.44 0.35 -3.10 -0.442 0.68444E+04 97 kaolinite -6.35 -8.31 -1.95 -0.178 0.43192E+04 98 kyanite -2.63 -5.96 -3.32 -0.332 0.73446E+04 100 laumontite -3.43 -4.13 -0.70 -0.046 0.15376E+04 101 lawsonite 1.84 0.57 -1.27 -0.085 0.28099E+04 102 leucite 0.50 -2.00 -2.50 -0.250 0.55280E+04 104 lizardite 16.07 14.08 -1.99 -0.166 0.43924E+04 105 magnesite -1.33 -3.51 -2.18 -0.726 0.48156E+04 108 minnesotaite-Mg 13.29 9.39 -3.90 -0.230 0.86315E+04 112 margarite 0.51 -3.04 -3.54 -0.142 0.78370E+04 116 monticellite 17.30 12.79 -4.51 -0.645 0.99810E+04 118 mullite-Si -1.01 -5.96 -4.95 -0.495 0.10939E+05 119 muscovite -6.26 -7.96 -1.70 -0.100 0.37617E+04 120 paragonite -5.16 -7.07 -1.91 -0.112 0.42215E+04 121 nepheline 3.84 1.23 -2.60 -0.372 0.57513E+04 127 periclase-Fe 7.82 2.90 -4.92 -1.230 0.10880E+05 133 phlogopite-Na 17.58 15.32 -2.26 -0.126 0.49953E+04 135 prehnite 8.17 7.10 -1.08 -0.063 0.23786E+04 136 prehnite-Fe 12.55 10.46 -2.09 -0.126 0.46210E+04 137 pumpellyite-Fe 19.38 15.28 -4.09 -0.091 0.90526E+04 138 pumpellyite-Mg 21.52 18.65 -2.87 -0.064 0.63517E+04 140 px-Ca-tschermaks 7.46 2.92 -4.54 -0.325 0.10046E+05 141 pyrite -19.54 -20.61 -1.08 -0.253 0.23791E+04 142 pyrrhotite -5.37 -7.53 -2.16 -0.720 0.47732E+04 143 pyrrhotiteFe0.875 -6.64 -8.22 -1.58 -0.580 0.34895E+04 144 pyroxmangite 5.03 1.83 -3.20 -0.640 0.70771E+04 145 pyrophyllite -10.69 -13.00 -2.32 -0.145 0.51230E+04 151 rhodochrosite -2.20 -5.59 -3.40 -1.132 0.75070E+04 152 rhodonite 5.05 1.83 -3.22 -0.645 0.71260E+04 153 sanidine -3.42 -4.35 -0.94 -0.072 0.20673E+04 155 siderite -3.91 -6.88 -2.96 -0.987 0.65481E+04 156 sillimanite -2.48 -5.96 -3.47 -0.347 0.76800E+04 163 stilbite -10.17 -11.18 -1.00 -0.048 0.22190E+04 165 stilpnomelane-Mg 11.95 11.15 -0.80 -0.024 0.17580E+04 166 stishovite 2.27 -2.35 -4.62 -1.539 0.10204E+05 168 sudoite 3.23 -1.74 -4.97 -0.160 0.10994E+05 169 sulfur -8.67 -13.09 -4.42 -1.359 0.97636E+04 171 talc 10.17 9.39 -0.79 -0.046 0.17450E+04 173 talc-tschermaks 6.63 1.87 -4.77 -0.280 0.10539E+05 178 topaz-H -2.05 -5.96 -3.90 -0.355 0.86332E+04 179 tridymite -2.12 -2.35 -0.23 -0.075 0.49938E+03 180 tremolite 31.43 30.26 -1.17 -0.031 0.25763E+04 182 troilite-low -5.42 -7.53 -2.11 -0.702 0.46590E+04 188 wairakite -3.51 -4.13 -0.62 -0.036 0.13645E+04 189 walstromite 8.45 6.53 -1.93 -0.385 0.42605E+04 190 wollastonite 7.66 6.53 -1.13 -0.226 0.24968E+04 191 pseudo-wollastonite 8.01 6.53 -1.49 -0.298 0.32910E+04 192 zoisite 7.38 5.29 -2.09 -0.095 0.46194E+04 193 beidellite-Ca -8.36 -11.36 -3.00 -0.185 0.66232E+04 194 beidellite-H -8.77 -12.82 -4.06 -0.259 0.89710E+04 195 beidellite-K -7.85 -11.34 -3.49 -0.214 0.77164E+04 196 beidellite-Mg -8.59 -11.79 -3.21 -0.198 0.70871E+04 197 beidellite-Na -7.78 -11.05 -3.27 -0.200 0.72250E+04 200 chalcedony -2.20 -2.35 -0.15 -0.048 0.32074E+03 201 chalcocite -21.68 -23.06 -1.38 -0.344 0.30401E+04 202 covellite -16.09 -18.07 -1.98 -0.755 0.43787E+04 204 montmorillonite-Ca -7.11 -8.88 -1.77 -0.110 0.39180E+04 205 montmorillonite-K -6.70 -8.86 -2.16 -0.132 0.47696E+04 206 montmorillonite-Mg -7.35 -9.31 -1.95 -0.121 0.43213E+04 207 montmorillonite-Na -6.56 -8.56 -2.00 -0.123 0.44315E+04 209 nontronite-Ca -0.44 -4.62 -4.19 -0.272 0.92607E+04 211 nontronite-K 0.08 -4.60 -4.68 -0.301 0.10354E+05 212 nontronite-Mg -0.65 -5.06 -4.40 -0.286 0.97322E+04 213 nontronite-Na 0.15 -4.31 -4.46 -0.286 0.98651E+04 229 tobermorite 8.48 5.04 -3.44 -0.937 0.75957E+04 235 alabandite -2.52 -6.24 -3.72 -1.241 0.82341E+04 240 boehmite 0.38 -1.80 -2.19 -0.364 0.48346E+04 242 chalcopyrite -24.88 -25.60 -0.72 -0.134 0.15928E+04 245 copper,native -1.42 -4.99 -3.57 -1.241 0.78882E+04 246 dolomite,disordered -2.35 -4.41 -2.06 -0.344 0.45598E+04 247 ferrous-oxide 6.37 2.90 -3.48 -0.869 0.76883E+04 248 fluorite -10.92 -12.46 -1.55 -0.515 0.34176E+04 257 silica-amorphous -1.76 -2.35 -0.59 -0.198 0.13102E+04 260 sphalerite -9.99 -10.38 -0.39 -0.130 0.86209E+03 261 wurtzite -8.58 -10.38 -1.80 -0.601 0.39853E+04 263 an20ab80 -2.12 -2.66 -0.54 -0.042 0.11978E+04 264 an25ab75 -1.86 -2.46 -0.59 -0.046 0.13100E+04 265 an30ab70 -1.60 -2.25 -0.65 -0.050 0.14339E+04 266 tr.625ac.25prg.125 27.59 25.86 -1.74 -0.047 0.38434E+04 271 FeS-amorphous -3.84 -7.53 -3.69 -1.230 0.81568E+04 Calculations done for 210.0000 Deg. C; 19.1155 bar Enthalpies: Pure water 3.8720 kcal/mole H2O,gas 12.0714 kcal/mole CO2,gas 2.5133 kcal/mole CH4,gas 2.4369 kcal/mole Current solution 177.6178 Gas 118.9128 kcal Total current enthalpy 296.5306 kcal Starting enthalpy 296.5306 kcal Temperature changed by -2.000 degrees to 208.000 degrees C. Solids and gases carried ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ Test file for CHIM-XPT. Boil Broadlands Water Water similar to Broadlands Well No. 2 CHIMRUN demo-2a ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ Number of loops used = 12 Loop limit = 200 Temperature = 208.00 C Pressure = 18.35 bar Mixer fraction = 0.0000000 Total current enthalpy = 296.5306 KCAL Water: Moles liquid = 0.4565E+02 kg liquid = 0.8225E+00 Moles total = 0.5551E+02 kg total = 0.1000E+01 Activity = 0.9999 Stoichiometric ionic strength = .4205953E-01 Osmotic coef. = 0.9134 True ionic strength = .3958380E-01 Chg. balance for total moles = 0.2402E-07 Max. difference allowed = 0.3072E-05 Log Log Log Species(n) Molality Molality Activity Activity Gamma Gamma 1 H+ 0.13714E-06 -6.8628 0.10130E-06 -6.9944 0.73866E+00 -0.1316 2 H2O 0.99995E+00 -0.0000 0.99995E+00 -0.0000 3 Cl- 0.36374E-01 -1.4392 0.26528E-01 -1.5763 0.72931E+00 -0.1371 4 SO4-- 0.27361E-06 -6.5629 0.84273E-07 -7.0743 0.30801E+00 -0.5114 5 HCO3- 0.22375E-02 -2.6502 0.16408E-02 -2.7849 0.73333E+00 -0.1347 6 HS- 0.49605E-03 -3.3045 0.36199E-03 -3.4413 0.72974E+00 -0.1368 7 H4SiO4 0.43827E-02 -2.3583 0.43827E-02 -2.3583 0.10000E+01 0.0000 8 Al+++ 0.25977E-21 -21.5854 0.18033E-22 -22.7439 0.69417E-01 -1.1585 9 Ca++ 0.27545E-04 -4.5600 0.83064E-05 -5.0806 0.30155E+00 -0.5206 10 Mg++ 0.69404E-07 -7.1586 0.20603E-07 -7.6861 0.29686E+00 -0.5275 11 Fe++ 0.27132E-10 -10.5665 0.80856E-11 -11.0923 0.29801E+00 -0.5258 12 K+ 0.44995E-02 -2.3468 0.33043E-02 -2.4809 0.73438E+00 -0.1341 13 Na+ 0.34985E-01 -1.4561 0.25521E-01 -1.5931 0.72947E+00 -0.1370 14 Mn++ 0.57026E-09 -9.2439 0.17043E-09 -9.7685 0.29886E+00 -0.5245 15 Zn++ 0.43490E-13 -13.3616 0.12960E-13 -13.8874 0.29801E+00 -0.5258 16 Cu+ 0.61943E-13 -13.2080 0.45177E-13 -13.3451 0.72933E+00 -0.1371 17 Pb++ 0.40705E-13 -13.3904 0.12394E-13 -13.9068 0.30448E+00 -0.5164 18 Hg++ 0.52431E-35 -35.2804 0.15892E-35 -35.7988 0.30309E+00 -0.5184 19 F- 0.28818E-03 -3.5403 0.20808E-03 -3.6818 0.72205E+00 -0.1414 21 HSiO3- 0.75391E-04 -4.1227 0.54983E-04 -4.2598 0.72931E+00 -0.1371 22 Ca(HSiO3)+ 0.13334E-06 -6.8750 0.97994E-07 -7.0088 0.73490E+00 -0.1338 23 Mg(HSiO3)+ 0.26876E-09 -9.5706 0.19751E-09 -9.7044 0.73490E+00 -0.1338 24 NaHSiO3,aq 0.14999E-04 -4.8240 0.14999E-04 -4.8240 0.10000E+01 0.0000 27 HAlO2,aq 0.68674E-08 -8.1632 0.68674E-08 -8.1632 0.10000E+01 0.0000 28 AlO2- 0.21455E-05 -5.6685 0.15515E-05 -5.8092 0.72317E+00 -0.1408 29 CH4,aq 0.78801E-05 -5.1035 0.77786E-05 -5.1091 0.98712E+00 -0.0056 34 CO,aq 0.17726E-08 -8.7514 0.17726E-08 -8.7514 0.10000E+01 0.0000 35 CO2,aq 0.26814E-02 -2.5716 0.26468E-02 -2.5773 0.98712E+00 -0.0056 36 CO3-2 0.15994E-05 -5.7960 0.48933E-06 -6.3104 0.30594E+00 -0.5144 37 CaCO3,aq 0.13889E-05 -5.8573 0.13889E-05 -5.8573 0.10000E+01 0.0000 38 Ca(HCO3)+ 0.55747E-05 -5.2538 0.40969E-05 -5.3875 0.73490E+00 -0.1338 39 CaCl+ 0.63009E-05 -5.2006 0.46305E-05 -5.3344 0.73490E+00 -0.1338 40 CaCl2,aq 0.55835E-07 -7.2531 0.55835E-07 -7.2531 0.10000E+01 0.0000 41 CaF+ 0.48751E-06 -6.3120 0.35827E-06 -6.4458 0.73490E+00 -0.1338 42 CaOH+ 0.18114E-05 -5.7420 0.13312E-05 -5.8758 0.73490E+00 -0.1338 43 CaSO4,aq 0.23828E-08 -8.6229 0.23828E-08 -8.6229 0.10000E+01 0.0000 44 HCl,aq 0.22963E-08 -8.6390 0.22963E-08 -8.6390 0.10000E+01 0.0000 61 HF,aq 0.18646E-05 -5.7294 0.18646E-05 -5.7294 0.10000E+01 0.0000 62 HF2- 0.17185E-09 -9.7649 0.12533E-09 -9.9019 0.72931E+00 -0.1371 69 FeO,aq 0.99749E-10 -10.0011 0.99749E-10 -10.0011 0.10000E+01 0.0000 70 FeOH+ 0.15611E-09 -9.8066 0.11473E-09 -9.9403 0.73490E+00 -0.1338 71 HFeO2- 0.47822E-10 -10.3204 0.34877E-10 -10.4575 0.72931E+00 -0.1371 74 FeO2- 0.37073E-10 -10.4309 0.27038E-10 -10.5680 0.72931E+00 -0.1371 75 HFeO2,aq 0.15320E-10 -10.8148 0.15320E-10 -10.8148 0.10000E+01 0.0000 76 H2,aq 0.17063E-04 -4.7680 0.16843E-04 -4.7736 0.98712E+00 -0.0056 77 Hg,aq 0.35305E-10 -10.4522 0.34851E-10 -10.4578 0.98712E+00 -0.0056 90 KCl,aq 0.17187E-04 -4.7648 0.17187E-04 -4.7648 0.10000E+01 0.0000 92 KOH,aq 0.40788E-06 -6.3895 0.40788E-06 -6.3895 0.10000E+01 0.0000 93 KSO4- 0.37576E-07 -7.4251 0.27405E-07 -7.5622 0.72931E+00 -0.1371 94 MgCO3,aq 0.46358E-09 -9.3339 0.46358E-09 -9.3339 0.10000E+01 0.0000 95 Mg(HCO3)+ 0.13265E-07 -7.8773 0.97482E-08 -8.0111 0.73490E+00 -0.1338 96 MgCl+ 0.88094E-08 -8.0551 0.64741E-08 -8.1888 0.73490E+00 -0.1338 97 MgF+ 0.35437E-08 -8.4505 0.26043E-08 -8.5843 0.73490E+00 -0.1338 98 MgOH+ 0.15123E-07 -7.8203 0.11114E-07 -7.9541 0.73490E+00 -0.1338 101 MnO,aq 0.63912E-10 -10.1944 0.63912E-10 -10.1944 0.10000E+01 0.0000 102 MnOH+ 0.45078E-09 -9.3460 0.33128E-09 -9.4798 0.73490E+00 -0.1338 107 MnCl+ 0.12416E-08 -8.9060 0.91244E-09 -9.0398 0.73490E+00 -0.1338 109 NaCl,aq 0.95306E-03 -3.0209 0.95306E-03 -3.0209 0.10000E+01 0.0000 110 NaF,aq 0.59394E-05 -5.2263 0.59394E-05 -5.2263 0.10000E+01 0.0000 111 NaOH,aq 0.21805E-05 -5.6615 0.21805E-05 -5.6615 0.10000E+01 0.0000 113 OH- 0.76749E-04 -4.1149 0.55503E-04 -4.2557 0.72317E+00 -0.1408 124 Pb(HS)2,aq 0.50301E-08 -8.2984 0.50301E-08 -8.2984 0.10000E+01 0.0000 125 Pb(HS)3- 0.62461E-10 -10.2044 0.45553E-10 -10.3415 0.72931E+00 -0.1371 126 H2S,aq 0.26586E-03 -3.5753 0.26244E-03 -3.5810 0.98712E+00 -0.0056 127 S2-2 0.12035E-09 -9.9196 0.36819E-10 -10.4339 0.30594E+00 -0.5144 135 HSO4- 0.45158E-09 -9.3453 0.33276E-09 -9.4779 0.73689E+00 -0.1326 153 ZnO,aq 0.17631E-10 -10.7537 0.17631E-10 -10.7537 0.10000E+01 0.0000 154 ZnOH+ 0.22103E-09 -9.6556 0.16243E-09 -9.7893 0.73490E+00 -0.1338 164 Cu(HS)2- 0.43719E-07 -7.3593 0.31885E-07 -7.4964 0.72931E+00 -0.1371 166 CuH4S3-b 0.13592E-09 -9.8667 0.99127E-10 -10.0038 0.72931E+00 -0.1371 179 MgSO4,aq 0.21234E-10 -10.6730 0.21234E-10 -10.6730 0.10000E+01 0.0000 180 MnCl2,aq 0.36102E-09 -9.4425 0.36102E-09 -9.4425 0.10000E+01 0.0000 181 MnCl3- 0.59736E-10 -10.2238 0.43566E-10 -10.3608 0.72931E+00 -0.1371 182 MnCO3,aq 0.54284E-09 -9.2653 0.54284E-09 -9.2653 0.10000E+01 0.0000 183 NaCO3- 0.79941E-06 -6.0972 0.58302E-06 -6.2343 0.72931E+00 -0.1371 184 NaHCO3,aq 0.54301E-04 -4.2652 0.54301E-04 -4.2652 0.10000E+01 0.0000 185 NaHS,aq 0.11980E-04 -4.9216 0.11980E-04 -4.9216 0.10000E+01 0.0000 186 NaSO4- 0.75557E-07 -7.1217 0.55104E-07 -7.2588 0.72931E+00 -0.1371 187 PbCO3,aq 0.34898E-09 -9.4572 0.34898E-09 -9.4572 0.10000E+01 0.0000 188 PbOH+ 0.32973E-10 -10.4818 0.24232E-10 -10.6156 0.73490E+00 -0.1338 193 Zn(HS)2,aq 0.17941E-07 -7.7462 0.17941E-07 -7.7462 0.10000E+01 0.0000 194 Zn(HS)3- 0.41460E-09 -9.3824 0.30237E-09 -9.5195 0.72931E+00 -0.1371 Charge balance for all species = 0.2920E-07 Component Molality Aq.molality ppm log[A(N)/A(H+)**Z] (total) 1 H+ 0.1371356E-06 0.2760875E-02 0.2774339E+01 0.0000 2 H2O 0.1000000E+01 0.5550559E+02 0.9969108E+06 0.0000 3 Cl- 0.3637359E-01 0.3735026E-01 0.1320154E+04 5.4181 4 SO4-- 0.2736055E-06 -.1175656E-04 -.1125922E+01 6.9145 5 HCO3- 0.2237484E-02 0.4990396E-02 0.3035745E+03 4.2095 6 HS- 0.4960549E-03 0.7861797E-03 0.2592152E+02 3.5531 7 H4SiO4 0.4382673E-02 0.4473196E-02 0.4286363E+03 -2.3583 8 Al+++ 0.2597734E-21 0.2152339E-05 0.5789683E-01 -1.7607 9 Ca++ 0.2754535E-04 0.4330029E-04 0.1730115E+01 8.9082 10 Mg++ 0.6940411E-07 0.1108989E-06 0.2687979E-02 6.3027 11 Fe++ 0.2713224E-10 0.3884969E-09 0.2163044E-04 2.8965 12 K+ 0.4499482E-02 0.4517115E-02 0.1760914E+03 4.5135 13 Na+ 0.3498513E-01 0.3602846E-01 0.8257698E+03 5.4013 14 Mn++ 0.5702570E-09 0.3297824E-08 0.1806252E-03 4.2204 15 Zn++ 0.4348959E-13 0.1860208E-07 0.1212322E-02 0.1014 16 Cu+ 0.6194278E-13 0.4386983E-07 0.2779017E-02 -6.3507 17 Pb++ 0.4070517E-13 0.5485412E-08 0.1133068E-02 0.0820 18 Hg++ 0.5243141E-35 0.3566843E-10 0.7132985E-05 -21.8100 19 F- 0.2881801E-03 0.2964755E-03 0.5615323E+01 3.3126 Component Tot moles Aq. moles Solid moles Gas moles 1 H+ 0.1822172E+00 0.2270788E-02 -.2190218E-05 0.1799486E+00 2 H2O 0.5550825E+02 0.4565272E+02 -.8351187E-02 0.9863889E+01 3 Cl- 0.3072017E-01 0.3072017E-01 0.0000000E+00 0.4180417E-09 4 SO4-- -.4257700E-02 -.9669639E-05 0.6572917E-09 -.4248031E-02 5 HCO3- 0.1832100E+00 0.4104544E-02 0.0000000E+00 0.1791055E+00 6 HS- 0.9985820E-02 0.6466239E-03 0.2696435E-07 0.9339169E-02 7 H4SiO4 0.7855346E-02 0.3679153E-02 0.4176193E-02 0.0000000E+00 8 Al+++ 0.2253680E-05 0.1770274E-05 0.4834062E-06 0.0000000E+00 9 Ca++ 0.3561400E-04 0.3561400E-04 0.0000000E+00 0.0000000E+00 10 Mg++ 0.2355503E-06 0.9121306E-07 0.1443372E-06 0.0000000E+00 11 Fe++ 0.8017372E-08 0.3195342E-09 0.7697838E-08 0.0000000E+00 12 K+ 0.3715700E-02 0.3715275E-02 0.4246843E-06 0.0000000E+00 13 Na+ 0.2963300E-01 0.2963300E-01 0.0000000E+00 0.0000000E+00 14 Mn++ 0.2740424E-08 0.2712423E-08 0.2800064E-10 0.0000000E+00 15 Zn++ 0.1530000E-07 0.1530000E-07 0.0000000E+00 0.0000000E+00 16 Cu+ 0.6237410E-07 0.3608243E-07 0.2629167E-07 0.0000000E+00 17 Pb++ 0.1110000E-07 0.4511689E-08 0.6588311E-08 0.0000000E+00 18 Hg++ 0.4000000E-08 0.2933688E-10 0.0000000E+00 0.3970663E-08 19 F- 0.2439100E-03 0.2438477E-03 0.0000000E+00 0.6230633E-07 Chg. balance for solid moles: 0.8316E-17 Mass of aqueous solution: 0.824996E+03 g Temperature = 208.00 C Pressure = 18.35 bar Mixer frac. = 0.0000000 Log Log Vol Gas or mineral Moles Moles Grams Grams Wt.% (cm3) H2O,gas 10.03 1.001 180.7 2.257 95.77 0.1957E+05 CO2,gas 0.1763 -0.754 7.758 0.890 4.112 398.6 CH4,gas 0.2837E-02 -2.547 0.4551E-01 -1.342 0.2412E-01 6.800 H2,gas 0.5642E-02 -2.249 0.1140E-01 -1.943 0.6041E-02 12.39 H2S,gas 0.5091E-02 -2.293 0.1735 -0.761 0.9197E-01 10.72 CO,gas 0.5599E-06 -6.252 0.1568E-04 -4.805 0.8313E-05 0.1221E-02 SO2,gas 0.5412E-13 -13.267 0.3467E-11 -11.460 0.1838E-11 0.1180E-09 HF,gas 0.6231E-07 -7.205 0.1246E-05 -5.904 0.6605E-06 0.1358E-03 HCl,gas 0.4180E-09 -9.379 0.1524E-07 -7.817 0.8079E-08 0.9113E-06 Hg,gas 0.3971E-08 -8.401 0.7965E-06 -6.099 0.4222E-06 0.8656E-05 clinochlore 0.2887E-07 -7.540 0.1605E-04 -4.795 0.6394E-02 0.6103E-05 daphnite 0.4879E-09 -9.312 0.3481E-06 -6.458 0.1387E-03 0.1055E-06 chlorite-Mn 0.5600E-11 -11.252 0.3970E-08 -8.401 0.1582E-05 0.1265E-08 microcline 0.4247E-06 -6.372 0.1182E-03 -3.927 0.4710E-01 0.4617E-04 quartz 0.4175E-02 -2.379 0.2508 -0.601 99.94 0.9472E-01 bornite 0.5258E-08 -8.279 0.2639E-05 -5.579 0.1051E-02 0.5191E-06 galena 0.6588E-08 -8.181 0.1576E-05 -5.802 0.6281E-03 0.2075E-06 Partial press. Fugacity coef Log fugacity Gas or Mineral Mole fraction or activity Activity coef Log activity H2O,gas 0.9814E+00 0.1801E+02 0.9060 1.213 CO2,gas 0.1724E-01 0.3165E+00 1.0164 -0.493 CH4,gas 0.2776E-03 0.5094E-02 1.0910 -2.255 H2,gas 0.5520E-03 0.1013E-01 1.0076 -1.991 H2S,gas 0.4981E-03 0.9140E-02 0.9662 -2.054 CO,gas 0.5478E-07 0.1005E-05 1.0000 -5.998 SO2,gas 0.5295E-14 0.9717E-13 1.0000 -13.012 HF,gas 0.6096E-08 0.1119E-06 1.0000 -6.951 HCl,gas 0.4090E-10 0.7505E-09 1.0000 -9.125 Hg,gas 0.3885E-09 0.7129E-08 1.0000 -8.147 clinochlore 0.9832E+00 0.9832E+00 1.0000 -0.007 daphnite 0.1662E-01 0.1662E-01 1.0000 -1.779 chlorite-Mn 0.1907E-03 0.1907E-03 1.0000 -3.720 microcline 0.1000E+01 0.1000E+01 1.0000 0.000 quartz 0.1000E+01 0.1000E+01 1.0000 0.000 bornite 0.1000E+01 0.1000E+01 1.0000 0.000 galena 0.1000E+01 0.1000E+01 1.0000 0.000 Current weight percent of gas: 18.607110 % Solid products produced: Mass = 0.250963 g Volume = 0.094775 cm3 WARNING: mineral volume may be in error because some mineral densities were not supplied in SOLTHERM. See mineral list in file Skip_Species.txt. NON-Ideal mixing with H2O, CO2, CH4 Gases ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ The following gases and minerals are presently in matrix or were just added Gas or Mineral Log K Log Q Log(Q/K) Log(Q/K)/S Affinity Log Fugacity 1 H2O,gas 0.05 0.05 -0.00 -0.000 0.24480E-09 2 CO2,gas -8.02 -8.02 0.00 0.000 -0.86041E-10 3 CH4,gas 4.37 4.37 0.00 0.000 -0.23270E-09 4 H2,gas 5.91 5.91 0.00 0.000 -0.15644E-10 5 H2S,gas -7.12 -7.12 -0.00 -0.000 0.82130E-10 6 CO,gas 0.14 0.14 -0.00 -0.000 0.24443E-11 7 SO2,gas -4.13 -4.13 -0.00 -0.000 0.19555E-11 8 HF,gas -2.46 -2.46 -0.00 -0.000 0.39109E-11 9 HCl,gas 1.82 1.82 0.00 0.000 -0.29332E-11 10 Hg,gas -9.74 -9.74 -0.00 -0.000 0.39109E-11 43 clinochlore 20.95 20.95 0.00 0.000 0.00000E+00 44 daphnite 12.78 12.78 0.00 0.000 -0.19555E-10 45 chlorite-Mn 29.10 29.10 0.00 0.000 0.00000E+00 115 microcline -4.32 -4.32 -0.00 -0.000 0.13688E-10 146 quartz -2.36 -2.36 0.00 0.000 0.00000E+00 198 bornite -71.93 -71.93 0.00 0.000 0.00000E+00 249 galena -10.35 -10.35 0.00 0.000 0.00000E+00 The following gases and minerals are presently EXCLUDED from matrix (Gases and minerals with log(Q/K) less than -5 are not listed below) Gas or Mineral Log K Log Q Log(Q/K) Log(Q/K)/S Affinity Log Fugacity 11 acmite 5.56 2.25 -3.31 -0.343 0.72772E+04 15 albite-high -2.34 -3.43 -1.10 -0.084 0.24111E+04 16 albite -2.98 -3.43 -0.46 -0.035 0.10103E+04 20 analcite 0.10 -1.08 -1.18 -0.131 0.25933E+04 21 andalusite -2.54 -5.88 -3.34 -0.334 0.73599E+04 22 andradite 26.97 22.79 -4.19 -0.218 0.92224E+04 23 grossular 18.31 16.13 -2.18 -0.109 0.47959E+04 24 anhydrite -7.44 -12.15 -4.71 -2.357 0.10379E+05 25 ankerite -4.86 -7.75 -2.90 -0.483 0.63819E+04 27 phlogopite 16.02 14.59 -1.43 -0.080 0.31588E+04 29 anorthite 2.72 0.67 -2.05 -0.158 0.45135E+04 32 aragonite -0.52 -0.87 -0.35 -0.117 0.77078E+03 33 brucite 9.21 6.30 -2.91 -0.582 0.64064E+04 34 calcite -0.67 -0.87 -0.20 -0.065 0.43242E+03 35 carnegieite-low 4.46 1.28 -3.18 -0.454 0.69974E+04 36 carnegieite-high 5.11 1.28 -3.82 -0.546 0.84204E+04 37 carpholite-Mg 0.38 -1.94 -2.31 -0.154 0.50888E+04 38 carpholite-Fe -1.14 -5.34 -4.20 -0.280 0.92419E+04 39 celadonite 1.51 -0.38 -1.88 -0.111 0.41499E+04 40 celadonite-Fe 0.19 -3.78 -3.98 -0.234 0.87584E+04 41 chrysotile 16.52 14.19 -2.33 -0.194 0.51353E+04 46 chlorite-Al-free 32.68 28.38 -4.30 -0.179 0.94636E+04 47 chloritoid-Mg 3.46 0.42 -3.04 -0.203 0.66962E+04 48 chloritoid-Fe 0.40 -2.98 -3.38 -0.225 0.74467E+04 49 chloritoid-Mn 2.61 -1.66 -4.27 -0.285 0.94010E+04 51 coesite -1.86 -2.36 -0.49 -0.165 0.10895E+04 56 corundum 0.13 -3.52 -3.65 -0.332 0.80402E+04 58 cristobalite -2.10 -2.36 -0.26 -0.086 0.56716E+03 61 cymrite-K -0.93 -4.32 -3.39 -0.283 0.74642E+04 63 diaspore -0.56 -1.76 -1.20 -0.201 0.26508E+04 64 diamond -2.06 -4.47 -2.40 -0.686 0.52887E+04 65 diopside 11.13 10.49 -0.63 -0.063 0.13923E+04 66 hedenbergite 9.51 7.09 -2.42 -0.242 0.53220E+04 67 dolomite,ordered -2.69 -4.35 -1.66 -0.277 0.36542E+04 68 eastonite 11.75 7.12 -4.63 -0.178 0.10201E+05 69 enstatite 11.24 7.89 -3.35 -0.335 0.73767E+04 70 clinoenstatite-HiP 12.09 7.89 -4.20 -0.420 0.92570E+04 71 clinoenstatite 11.17 7.89 -3.28 -0.328 0.72149E+04 72 protoenstatite 11.62 7.89 -3.73 -0.373 0.82126E+04 73 epidote 11.07 8.79 -2.28 -0.111 0.50236E+04 74 clinozoisite 7.57 5.46 -2.11 -0.096 0.46530E+04 78 forsterite 14.15 10.25 -3.90 -0.558 0.85928E+04 81 gibbsite 0.75 -1.76 -2.51 -0.359 0.55282E+04 82 glaucophane 10.79 7.32 -3.46 -0.094 0.76247E+04 84 goethite 4.10 1.57 -2.54 -0.548 0.55824E+04 85 graphite -2.46 -4.47 -2.01 -0.574 0.44259E+04 88 halite 1.19 -3.17 -4.36 -2.182 0.96060E+04 89 hematite 7.47 3.14 -4.33 -0.525 0.95319E+04 90 heulandite -10.61 -11.12 -0.51 -0.023 0.11154E+04 94 jadeite 1.01 -1.08 -2.08 -0.208 0.45899E+04 96 kalsilite 3.50 0.39 -3.11 -0.444 0.68472E+04 97 kaolinite -6.28 -8.24 -1.96 -0.178 0.43189E+04 98 kyanite -2.52 -5.88 -3.36 -0.336 0.73947E+04 100 laumontite -3.34 -4.05 -0.71 -0.047 0.15582E+04 101 lawsonite 1.96 0.67 -1.29 -0.086 0.28338E+04 102 leucite 0.55 -1.96 -2.52 -0.252 0.55395E+04 104 lizardite 16.17 14.19 -1.98 -0.165 0.43589E+04 105 magnesite -1.30 -3.48 -2.18 -0.726 0.47960E+04 108 minnesotaite-Mg 13.39 9.48 -3.92 -0.230 0.86268E+04 112 margarite 0.76 -2.85 -3.61 -0.144 0.79494E+04 116 monticellite 17.40 12.85 -4.55 -0.650 0.10017E+05 118 mullite-Si -0.88 -5.88 -5.00 -0.500 0.10997E+05 119 muscovite -6.12 -7.84 -1.72 -0.101 0.37887E+04 120 paragonite -5.02 -6.96 -1.94 -0.114 0.42617E+04 121 nepheline 3.90 1.28 -2.62 -0.374 0.57669E+04 127 periclase-Fe 7.87 2.90 -4.98 -1.244 0.10954E+05 133 phlogopite-Na 17.75 15.47 -2.28 -0.127 0.50136E+04 135 prehnite 8.34 7.22 -1.12 -0.066 0.24622E+04 136 prehnite-Fe 12.70 10.55 -2.15 -0.129 0.47373E+04 137 pumpellyite-Fe 19.78 15.58 -4.20 -0.093 0.92538E+04 138 pumpellyite-Mg 21.93 18.98 -2.95 -0.066 0.64907E+04 140 px-Ca-tschermaks 7.63 3.03 -4.60 -0.329 0.10128E+05 141 pyrite -19.55 -20.63 -1.09 -0.255 0.23903E+04 142 pyrrhotite -5.35 -7.54 -2.19 -0.731 0.48306E+04 143 pyrrhotiteFe0.875 -6.62 -8.23 -1.61 -0.591 0.35359E+04 144 pyroxmangite 5.07 1.86 -3.20 -0.641 0.70530E+04 145 pyrophyllite -10.62 -12.95 -2.34 -0.146 0.51471E+04 151 rhodochrosite -2.17 -5.56 -3.39 -1.129 0.74540E+04 152 rhodonite 5.09 1.86 -3.23 -0.645 0.71026E+04 153 sanidine -3.38 -4.32 -0.94 -0.072 0.20673E+04 155 siderite -3.89 -6.88 -2.99 -0.998 0.65904E+04 156 sillimanite -2.37 -5.88 -3.51 -0.351 0.77357E+04 163 stilbite -10.13 -11.12 -0.99 -0.047 0.21779E+04 165 stilpnomelane-Mg 12.17 11.38 -0.79 -0.024 0.17368E+04 166 stishovite 2.27 -2.36 -4.63 -1.544 0.10197E+05 169 sulfur -8.67 -13.09 -4.42 -1.361 0.97398E+04 171 talc 10.26 9.48 -0.79 -0.046 0.17381E+04 173 talc-tschermaks 6.82 2.01 -4.81 -0.283 0.10584E+05 178 topaz-H -1.95 -5.88 -3.93 -0.357 0.86502E+04 179 tridymite -2.13 -2.36 -0.23 -0.076 0.50174E+03 180 tremolite 31.66 30.46 -1.20 -0.032 0.26382E+04 182 troilite-low -5.40 -7.54 -2.14 -0.714 0.47136E+04 188 wairakite -3.40 -4.05 -0.65 -0.038 0.14237E+04 189 walstromite 8.50 6.55 -1.95 -0.390 0.42881E+04 190 wollastonite 7.70 6.55 -1.15 -0.229 0.25237E+04 191 pseudo-wollastonite 8.06 6.55 -1.51 -0.302 0.33202E+04 192 zoisite 7.61 5.46 -2.15 -0.098 0.47409E+04 193 beidellite-Ca -8.26 -11.29 -3.03 -0.187 0.66628E+04 194 beidellite-H -8.67 -12.76 -4.09 -0.261 0.90035E+04 195 beidellite-K -7.75 -11.27 -3.52 -0.215 0.77409E+04 196 beidellite-Mg -8.48 -11.72 -3.24 -0.200 0.71239E+04 197 beidellite-Na -7.68 -10.97 -3.29 -0.202 0.72541E+04 200 chalcedony -2.21 -2.36 -0.15 -0.049 0.32067E+03 201 chalcocite -21.76 -23.14 -1.37 -0.343 0.30227E+04 202 covellite -16.14 -18.11 -1.98 -0.753 0.43505E+04 204 montmorillonite-Ca -7.03 -8.82 -1.79 -0.111 0.39430E+04 205 montmorillonite-K -6.63 -8.80 -2.17 -0.133 0.47824E+04 206 montmorillonite-Mg -7.28 -9.25 -1.97 -0.122 0.43431E+04 207 montmorillonite-Na -6.49 -8.51 -2.02 -0.124 0.44459E+04 209 nontronite-Ca -0.38 -4.63 -4.25 -0.276 0.93569E+04 211 nontronite-K 0.13 -4.61 -4.74 -0.304 0.10435E+05 212 nontronite-Mg -0.60 -5.06 -4.46 -0.290 0.98252E+04 213 nontronite-Na 0.20 -4.32 -4.52 -0.290 0.99506E+04 229 tobermorite 8.50 5.06 -3.44 -0.938 0.75653E+04 235 alabandite -2.49 -6.22 -3.73 -1.242 0.82019E+04 240 boehmite 0.44 -1.76 -2.20 -0.367 0.48521E+04 242 chalcopyrite -24.92 -25.65 -0.74 -0.137 0.16222E+04 245 copper,native -1.44 -5.02 -3.58 -1.245 0.78831E+04 246 dolomite,disordered -2.28 -4.35 -2.07 -0.344 0.45492E+04 247 ferrous-oxide 6.42 2.90 -3.53 -0.882 0.77637E+04 248 fluorite -10.89 -12.44 -1.56 -0.518 0.34245E+04 257 silica-amorphous -1.76 -2.36 -0.60 -0.199 0.13146E+04 260 sphalerite -9.99 -10.33 -0.35 -0.115 0.76258E+03 261 wurtzite -8.57 -10.33 -1.77 -0.588 0.38860E+04 263 an20ab80 -2.05 -2.61 -0.56 -0.043 0.12324E+04 264 an25ab75 -1.80 -2.41 -0.61 -0.047 0.13487E+04 265 an30ab70 -1.53 -2.20 -0.67 -0.052 0.14765E+04 266 tr.625ac.25prg.125 27.85 26.02 -1.83 -0.049 0.40195E+04 271 FeS-amorphous -3.83 -7.54 -3.71 -1.237 0.81729E+04 Calculations done for 208.0000 Deg. C; 18.3514 bar Enthalpies: Pure water 3.8333 kcal/mole H2O,gas 12.0694 kcal/mole CO2,gas 2.4727 kcal/mole CH4,gas 2.3979 kcal/mole Current solution 175.0112 Gas 121.5194 kcal Total current enthalpy 296.5306 kcal Starting enthalpy 296.5306 kcal Temperature changed by -2.000 degrees to 206.000 degrees C. Solids and gases carried ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ Test file for CHIM-XPT. Boil Broadlands Water Water similar to Broadlands Well No. 2 CHIMRUN demo-2a ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ Number of loops used = 12 Loop limit = 200 Temperature = 206.00 C Pressure = 17.61 bar Mixer fraction = 0.0000000 Total current enthalpy = 296.5306 KCAL Water: Moles liquid = 0.4544E+02 kg liquid = 0.8186E+00 Moles total = 0.5551E+02 kg total = 0.1000E+01 Activity = 0.9999 Stoichiometric ionic strength = .4215829E-01 Osmotic coef. = 0.9140 True ionic strength = .3979684E-01 Chg. balance for total moles = 0.2402E-07 Max. difference allowed = 0.3072E-05 Log Log Log Species(n) Molality Molality Activity Activity Gamma Gamma 1 H+ 0.13351E-06 -6.8745 0.98763E-07 -7.0054 0.73972E+00 -0.1309 2 H2O 0.99995E+00 -0.0000 0.99995E+00 -0.0000 3 Cl- 0.36569E-01 -1.4369 0.26711E-01 -1.5733 0.73041E+00 -0.1364 4 SO4-- 0.29513E-06 -6.5300 0.91417E-07 -7.0390 0.30975E+00 -0.5090 5 HCO3- 0.22530E-02 -2.6472 0.16546E-02 -2.7813 0.73440E+00 -0.1341 6 HS- 0.49377E-03 -3.3065 0.36087E-03 -3.4427 0.73084E+00 -0.1362 7 H4SiO4 0.42895E-02 -2.3676 0.42895E-02 -2.3676 0.10000E+01 0.0000 8 Al+++ 0.26265E-21 -21.5806 0.18469E-22 -22.7336 0.70319E-01 -1.1529 9 Ca++ 0.28081E-04 -4.5516 0.85168E-05 -5.0697 0.30330E+00 -0.5181 10 Mg++ 0.72341E-07 -7.1406 0.21602E-07 -7.6655 0.29861E+00 -0.5249 11 Fe++ 0.25614E-10 -10.5915 0.76778E-11 -11.1148 0.29975E+00 -0.5232 12 K+ 0.45214E-02 -2.3447 0.33252E-02 -2.4782 0.73544E+00 -0.1335 13 Na+ 0.35175E-01 -1.4538 0.25698E-01 -1.5901 0.73057E+00 -0.1363 14 Mn++ 0.59144E-09 -9.2281 0.17779E-09 -9.7501 0.30061E+00 -0.5220 15 Zn++ 0.46991E-13 -13.3280 0.14086E-13 -13.8512 0.29975E+00 -0.5232 16 Cu+ 0.55777E-13 -13.2535 0.40741E-13 -13.3900 0.73043E+00 -0.1364 17 Pb++ 0.37997E-13 -13.4203 0.11635E-13 -13.9342 0.30622E+00 -0.5140 18 Hg++ 0.43815E-35 -35.3584 0.13356E-35 -35.8743 0.30483E+00 -0.5159 19 F- 0.28985E-03 -3.5378 0.20962E-03 -3.6786 0.72321E+00 -0.1407 21 HSiO3- 0.76420E-04 -4.1168 0.55819E-04 -4.2532 0.73041E+00 -0.1364 22 Ca(HSiO3)+ 0.13179E-06 -6.8801 0.96992E-07 -7.0133 0.73597E+00 -0.1331 23 Mg(HSiO3)+ 0.27368E-09 -9.5628 0.20142E-09 -9.6959 0.73597E+00 -0.1331 24 NaHSiO3,aq 0.15251E-04 -4.8167 0.15251E-04 -4.8167 0.10000E+01 0.0000 27 HAlO2,aq 0.66266E-08 -8.1787 0.66266E-08 -8.1787 0.10000E+01 0.0000 28 AlO2- 0.20523E-05 -5.6878 0.14865E-05 -5.8278 0.72433E+00 -0.1401 29 CH4,aq 0.72561E-05 -5.1393 0.71624E-05 -5.1449 0.98708E+00 -0.0056 34 CO,aq 0.15203E-08 -8.8181 0.15203E-08 -8.8181 0.10000E+01 0.0000 35 CO2,aq 0.25086E-02 -2.6006 0.24762E-02 -2.6062 0.98708E+00 -0.0056 36 CO3-2 0.16989E-05 -5.7698 0.52274E-06 -6.2817 0.30769E+00 -0.5119 37 CaCO3,aq 0.14139E-05 -5.8496 0.14139E-05 -5.8496 0.10000E+01 0.0000 38 Ca(HCO3)+ 0.54462E-05 -5.2639 0.40082E-05 -5.3970 0.73597E+00 -0.1331 39 CaCl+ 0.61448E-05 -5.2115 0.45223E-05 -5.3446 0.73597E+00 -0.1331 40 CaCl2,aq 0.53604E-07 -7.2708 0.53604E-07 -7.2708 0.10000E+01 0.0000 41 CaF+ 0.47455E-06 -6.3237 0.34925E-06 -6.4569 0.73597E+00 -0.1331 42 CaOH+ 0.17581E-05 -5.7550 0.12939E-05 -5.8881 0.73597E+00 -0.1331 43 CaSO4,aq 0.25010E-08 -8.6019 0.25010E-08 -8.6019 0.10000E+01 0.0000 44 HCl,aq 0.21589E-08 -8.6658 0.21589E-08 -8.6658 0.10000E+01 0.0000 61 HF,aq 0.17407E-05 -5.7593 0.17407E-05 -5.7593 0.10000E+01 0.0000 62 HF2- 0.16192E-09 -9.7907 0.11827E-09 -9.9271 0.73041E+00 -0.1364 69 FeO,aq 0.88443E-10 -10.0533 0.88443E-10 -10.0533 0.10000E+01 0.0000 70 FeOH+ 0.14345E-09 -9.8433 0.10558E-09 -9.9764 0.73597E+00 -0.1331 71 HFeO2- 0.43031E-10 -10.3662 0.31431E-10 -10.5026 0.73041E+00 -0.1364 74 FeO2- 0.32865E-10 -10.4833 0.24005E-10 -10.6197 0.73041E+00 -0.1364 75 HFeO2,aq 0.13829E-10 -10.8592 0.13829E-10 -10.8592 0.10000E+01 0.0000 76 H2,aq 0.15716E-04 -4.8036 0.15513E-04 -4.8093 0.98708E+00 -0.0056 77 Hg,aq 0.32655E-10 -10.4860 0.32233E-10 -10.4917 0.98708E+00 -0.0056 90 KCl,aq 0.16653E-04 -4.7785 0.16653E-04 -4.7785 0.10000E+01 0.0000 92 KOH,aq 0.40355E-06 -6.3941 0.40355E-06 -6.3941 0.10000E+01 0.0000 93 KSO4- 0.39273E-07 -7.4059 0.28686E-07 -7.5423 0.73041E+00 -0.1364 94 MgCO3,aq 0.48728E-09 -9.3122 0.48728E-09 -9.3122 0.10000E+01 0.0000 95 Mg(HCO3)+ 0.13283E-07 -7.8767 0.97761E-08 -8.0098 0.73597E+00 -0.1331 96 MgCl+ 0.88562E-08 -8.0528 0.65178E-08 -8.1859 0.73597E+00 -0.1331 97 MgF+ 0.35417E-08 -8.4508 0.26066E-08 -8.5839 0.73597E+00 -0.1331 98 MgOH+ 0.15084E-07 -7.8215 0.11102E-07 -7.9546 0.73597E+00 -0.1331 101 MnO,aq 0.62307E-10 -10.2055 0.62307E-10 -10.2055 0.10000E+01 0.0000 102 MnOH+ 0.45312E-09 -9.3438 0.33348E-09 -9.4769 0.73597E+00 -0.1331 107 MnCl+ 0.12149E-08 -8.9155 0.89413E-09 -9.0486 0.73597E+00 -0.1331 109 NaCl,aq 0.93550E-03 -3.0290 0.93550E-03 -3.0290 0.10000E+01 0.0000 110 NaF,aq 0.58224E-05 -5.2349 0.58224E-05 -5.2349 0.10000E+01 0.0000 111 NaOH,aq 0.21681E-05 -5.6639 0.21681E-05 -5.6639 0.10000E+01 0.0000 113 OH- 0.77168E-04 -4.1126 0.55895E-04 -4.2526 0.72433E+00 -0.1401 124 Pb(HS)2,aq 0.45951E-08 -8.3377 0.45951E-08 -8.3377 0.10000E+01 0.0000 125 Pb(HS)3- 0.55793E-10 -10.2534 0.40752E-10 -10.3899 0.73041E+00 -0.1364 126 H2S,aq 0.25018E-03 -3.6018 0.24694E-03 -3.6074 0.98708E+00 -0.0056 127 S2-2 0.11843E-09 -9.9265 0.36439E-10 -10.4384 0.30769E+00 -0.5119 135 HSO4- 0.44424E-09 -9.3524 0.32783E-09 -9.4844 0.73794E+00 -0.1320 153 ZnO,aq 0.18095E-10 -10.7424 0.18095E-10 -10.7424 0.10000E+01 0.0000 154 ZnOH+ 0.22748E-09 -9.6431 0.16742E-09 -9.7762 0.73597E+00 -0.1331 164 Cu(HS)2- 0.42293E-07 -7.3737 0.30892E-07 -7.5102 0.73041E+00 -0.1364 166 CuH4S3-b 0.14096E-09 -9.8509 0.10296E-09 -9.9873 0.73041E+00 -0.1364 179 MgSO4,aq 0.22955E-10 -10.6391 0.22955E-10 -10.6391 0.10000E+01 0.0000 180 MnCl2,aq 0.34033E-09 -9.4681 0.34033E-09 -9.4681 0.10000E+01 0.0000 181 MnCl3- 0.56065E-10 -10.2513 0.40951E-10 -10.3877 0.73041E+00 -0.1364 182 MnCO3,aq 0.58824E-09 -9.2304 0.58824E-09 -9.2304 0.10000E+01 0.0000 183 NaCO3- 0.84237E-06 -6.0745 0.61528E-06 -6.2109 0.73041E+00 -0.1364 184 NaHCO3,aq 0.53521E-04 -4.2715 0.53521E-04 -4.2715 0.10000E+01 0.0000 185 NaHS,aq 0.11673E-04 -4.9328 0.11673E-04 -4.9328 0.10000E+01 0.0000 186 NaSO4- 0.80083E-07 -7.0965 0.58494E-07 -7.2329 0.73041E+00 -0.1364 187 PbCO3,aq 0.33928E-09 -9.4694 0.33928E-09 -9.4694 0.10000E+01 0.0000 188 PbOH+ 0.30332E-10 -10.5181 0.22324E-10 -10.6512 0.73597E+00 -0.1331 193 Zn(HS)2,aq 0.18015E-07 -7.7444 0.18015E-07 -7.7444 0.10000E+01 0.0000 194 Zn(HS)3- 0.42209E-09 -9.3746 0.30830E-09 -9.5110 0.73041E+00 -0.1364 Charge balance for all species = 0.2934E-07 Component Molality Aq.molality ppm log[A(N)/A(H+)**Z] (total) 1 H+ 0.1335130E-06 0.2571237E-02 0.2583789E+01 0.0000 2 H2O 0.1000000E+01 0.5550576E+02 0.9969189E+06 0.0000 3 Cl- 0.3656940E-01 0.3752783E-01 0.1326437E+04 5.4321 4 SO4-- 0.2951285E-06 -.1076813E-04 -.1031265E+01 6.9718 5 HCO3- 0.2253022E-02 0.4831831E-02 0.2939303E+03 4.2241 6 HS- 0.4937697E-03 0.7669372E-03 0.2528719E+02 3.5628 7 H4SiO4 0.4289541E-02 0.4381345E-02 0.4198370E+03 -2.3676 8 Al+++ 0.2626464E-21 0.2058937E-05 0.5538466E-01 -1.7173 9 Ca++ 0.2808074E-04 0.4350615E-04 0.1738349E+01 8.9411 10 Mg++ 0.7234136E-07 0.1138908E-06 0.2760512E-02 6.3453 11 Fe++ 0.2561370E-10 0.3520349E-09 0.1960044E-04 2.8961 12 K+ 0.4521389E-02 0.4538484E-02 0.1769254E+03 4.5272 13 Na+ 0.3517488E-01 0.3619974E-01 0.8296997E+03 5.4153 14 Mn++ 0.5914387E-09 0.3314089E-08 0.1815170E-03 4.2607 15 Zn++ 0.4699086E-13 0.1869052E-07 0.1218092E-02 0.1596 16 Cu+ 0.5577681E-13 0.4244742E-07 0.2688925E-02 -6.3846 17 Pb++ 0.3799656E-13 0.5030437E-08 0.1039094E-02 0.0766 18 Hg++ 0.4381476E-35 0.3300799E-10 0.6600983E-05 -21.8635 19 F- 0.2898472E-03 0.2978887E-03 0.5642119E+01 3.3268 Component Tot moles Aq. moles Solid moles Gas moles 1 H+ 0.1822172E+00 0.2104807E-02 -.2527111E-05 0.1801149E+00 2 H2O 0.5550825E+02 0.4543685E+02 -.8536215E-02 0.1007994E+02 3 Cl- 0.3072017E-01 0.3072017E-01 0.0000000E+00 0.3907502E-09 4 SO4-- -.4257700E-02 -.8814758E-05 0.6906693E-09 -.4248886E-02 5 HCO3- 0.1832100E+00 0.3955322E-02 0.0000000E+00 0.1792547E+00 6 HS- 0.9985820E-02 0.6278125E-03 0.2839285E-07 0.9357979E-02 7 H4SiO4 0.7855346E-02 0.3586556E-02 0.4268790E-02 0.0000000E+00 8 Al+++ 0.2253680E-05 0.1685440E-05 0.5682404E-06 0.0000000E+00 9 Ca++ 0.3561400E-04 0.3561400E-04 0.0000000E+00 0.0000000E+00 10 Mg++ 0.2355503E-06 0.9323067E-07 0.1423196E-06 0.0000000E+00 11 Fe++ 0.8017372E-08 0.2881747E-09 0.7729197E-08 0.0000000E+00 12 K+ 0.3715700E-02 0.3715190E-02 0.5104200E-06 0.0000000E+00 13 Na+ 0.2963300E-01 0.2963300E-01 0.0000000E+00 0.0000000E+00 14 Mn++ 0.2740424E-08 0.2712903E-08 0.2752052E-10 0.0000000E+00 15 Zn++ 0.1530000E-07 0.1530000E-07 0.0000000E+00 0.0000000E+00 16 Cu+ 0.6237410E-07 0.3474733E-07 0.2762677E-07 0.0000000E+00 17 Pb++ 0.1110000E-07 0.4117901E-08 0.6982099E-08 0.0000000E+00 18 Hg++ 0.4000000E-08 0.2702024E-10 0.0000000E+00 0.3972980E-08 19 F- 0.2439100E-03 0.2438508E-03 0.0000000E+00 0.5917628E-07 Chg. balance for solid moles: 0.1291E-16 Mass of aqueous solution: 0.821088E+03 g Temperature = 206.00 C Pressure = 17.61 bar Mixer frac. = 0.0000000 Log Log Vol Gas or mineral Moles Moles Grams Grams Wt.% (cm3) H2O,gas 10.25 1.011 184.6 2.266 95.85 0.2081E+05 CO2,gas 0.1764 -0.753 7.764 0.890 4.032 413.7 CH4,gas 0.2842E-02 -2.546 0.4559E-01 -1.341 0.2367E-01 7.050 H2,gas 0.5627E-02 -2.250 0.1137E-01 -1.944 0.5903E-02 12.82 H2S,gas 0.5109E-02 -2.292 0.1741 -0.759 0.9042E-01 11.18 CO,gas 0.5235E-06 -6.281 0.1466E-04 -4.834 0.7614E-05 0.1184E-02 SO2,gas 0.4904E-13 -13.309 0.3142E-11 -11.503 0.1632E-11 0.1109E-09 HF,gas 0.5918E-07 -7.228 0.1184E-05 -5.927 0.6146E-06 0.1339E-03 HCl,gas 0.3908E-09 -9.408 0.1425E-07 -7.846 0.7399E-08 0.8839E-06 Hg,gas 0.3973E-08 -8.401 0.7969E-06 -6.099 0.4139E-06 0.8987E-05 clinochlore 0.2846E-07 -7.546 0.1582E-04 -4.801 0.6167E-02 0.6018E-05 daphnite 0.4408E-09 -9.356 0.3145E-06 -6.502 0.1226E-03 0.9530E-07 chlorite-Mn 0.5504E-11 -11.259 0.3902E-08 -8.409 0.1521E-05 0.1244E-08 microcline 0.5104E-06 -6.292 0.1421E-03 -3.847 0.5538E-01 0.5550E-04 quartz 0.4267E-02 -2.370 0.2564 -0.591 99.94 0.9682E-01 bornite 0.5525E-08 -8.258 0.2773E-05 -5.557 0.1081E-02 0.5455E-06 galena 0.6982E-08 -8.156 0.1670E-05 -5.777 0.6512E-03 0.2199E-06 Partial press. Fugacity coef Log fugacity Gas or Mineral Mole fraction or activity Activity coef Log activity H2O,gas 0.9818E+00 0.1729E+02 0.9082 1.196 CO2,gas 0.1690E-01 0.2977E+00 1.0169 -0.519 CH4,gas 0.2723E-03 0.4795E-02 1.0887 -2.282 H2,gas 0.5391E-03 0.9494E-02 1.0073 -2.019 H2S,gas 0.4895E-03 0.8620E-02 0.9671 -2.079 CO,gas 0.5015E-07 0.8832E-06 1.0000 -6.054 SO2,gas 0.4699E-14 0.8275E-13 1.0000 -13.082 HF,gas 0.5669E-08 0.9985E-07 1.0000 -7.001 HCl,gas 0.3744E-10 0.6593E-09 1.0000 -9.181 Hg,gas 0.3806E-09 0.6703E-08 1.0000 -8.174 clinochlore 0.9846E+00 0.9846E+00 1.0000 -0.007 daphnite 0.1525E-01 0.1525E-01 1.0000 -1.817 chlorite-Mn 0.1904E-03 0.1904E-03 1.0000 -3.720 microcline 0.1000E+01 0.1000E+01 1.0000 0.000 quartz 0.1000E+01 0.1000E+01 1.0000 0.000 bornite 0.1000E+01 0.1000E+01 1.0000 0.000 galena 0.1000E+01 0.1000E+01 1.0000 0.000 Current weight percent of gas: 18.991874 % Solid products produced: Mass = 0.256534 g Volume = 0.096879 cm3 WARNING: mineral volume may be in error because some mineral densities were not supplied in SOLTHERM. See mineral list in file Skip_Species.txt. NON-Ideal mixing with H2O, CO2, CH4 Gases ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ The following gases and minerals are presently in matrix or were just added Gas or Mineral Log K Log Q Log(Q/K) Log(Q/K)/S Affinity Log Fugacity 1 H2O,gas 0.05 0.05 -0.00 -0.000 0.18110E-09 2 CO2,gas -8.02 -8.02 0.00 0.000 -0.66210E-10 3 CH4,gas 4.34 4.34 0.00 0.000 -0.17137E-09 4 H2,gas 5.92 5.92 0.00 0.000 -0.11684E-10 5 H2S,gas -7.12 -7.12 -0.00 -0.000 0.58420E-10 6 CO,gas 0.16 0.16 0.00 0.000 -0.48684E-12 7 SO2,gas -4.07 -4.07 -0.00 -0.000 0.19473E-11 8 HF,gas -2.44 -2.44 0.00 0.000 -0.19473E-11 9 HCl,gas 1.85 1.85 0.00 0.000 -0.19473E-11 10 Hg,gas -9.79 -9.79 -0.00 -0.000 0.77894E-11 43 clinochlore 21.22 21.22 -0.00 -0.000 0.15579E-10 44 daphnite 13.03 13.03 -0.00 -0.000 0.46736E-10 45 chlorite-Mn 29.37 29.37 -0.00 -0.000 0.77894E-11 115 microcline -4.29 -4.29 0.00 0.000 -0.17526E-10 146 quartz -2.37 -2.37 0.00 0.000 0.00000E+00 198 bornite -72.14 -72.14 0.00 0.000 0.00000E+00 249 galena -10.37 -10.37 0.00 0.000 0.00000E+00 The following gases and minerals are presently EXCLUDED from matrix (Gases and minerals with log(Q/K) less than -5 are not listed below) Gas or Mineral Log K Log Q Log(Q/K) Log(Q/K)/S Affinity Log Fugacity 11 acmite 5.59 2.25 -3.34 -0.347 0.73206E+04 15 albite-high -2.29 -3.40 -1.11 -0.085 0.24367E+04 16 albite -2.94 -3.40 -0.47 -0.036 0.10278E+04 20 analcite 0.15 -1.04 -1.19 -0.132 0.26025E+04 21 andalusite -2.42 -5.80 -3.38 -0.338 0.74139E+04 22 andradite 27.16 22.86 -4.29 -0.223 0.94143E+04 23 grossular 18.53 16.29 -2.24 -0.112 0.49113E+04 24 anhydrite -7.40 -12.11 -4.71 -2.356 0.10332E+05 25 ankerite -4.80 -7.74 -2.93 -0.489 0.64325E+04 27 phlogopite 16.18 14.74 -1.44 -0.080 0.31606E+04 29 anorthite 2.87 0.77 -2.10 -0.162 0.46075E+04 32 aragonite -0.49 -0.85 -0.35 -0.118 0.77390E+03 33 brucite 9.26 6.35 -2.92 -0.583 0.63929E+04 34 calcite -0.65 -0.85 -0.20 -0.066 0.43678E+03 35 carnegieite-low 4.53 1.33 -3.20 -0.457 0.70125E+04 36 carnegieite-high 5.18 1.33 -3.85 -0.550 0.84430E+04 37 carpholite-Mg 0.50 -1.82 -2.33 -0.155 0.50984E+04 38 carpholite-Fe -1.02 -5.27 -4.25 -0.283 0.93188E+04 39 celadonite 1.57 -0.32 -1.88 -0.111 0.41236E+04 40 celadonite-Fe 0.25 -3.76 -4.02 -0.236 0.88035E+04 41 chrysotile 16.63 14.30 -2.33 -0.194 0.51090E+04 46 chlorite-Al-free 32.89 28.60 -4.29 -0.179 0.94054E+04 47 chloritoid-Mg 3.61 0.54 -3.07 -0.205 0.67289E+04 48 chloritoid-Fe 0.53 -2.91 -3.44 -0.229 0.75411E+04 49 chloritoid-Mn 2.74 -1.54 -4.29 -0.286 0.93980E+04 51 coesite -1.87 -2.37 -0.50 -0.166 0.10889E+04 56 corundum 0.26 -3.43 -3.69 -0.336 0.80941E+04 58 cristobalite -2.11 -2.37 -0.26 -0.087 0.56987E+03 61 cymrite-K -0.89 -4.29 -3.40 -0.283 0.74567E+04 63 diaspore -0.50 -1.72 -1.21 -0.202 0.26603E+04 64 diamond -2.08 -4.49 -2.41 -0.689 0.52841E+04 65 diopside 11.20 10.55 -0.65 -0.065 0.14259E+04 66 hedenbergite 9.58 7.10 -2.47 -0.247 0.54237E+04 67 dolomite,ordered -2.63 -4.29 -1.66 -0.276 0.36373E+04 68 eastonite 12.01 7.33 -4.68 -0.180 0.10251E+05 69 enstatite 11.33 7.96 -3.37 -0.337 0.73936E+04 70 clinoenstatite-HiP 12.19 7.96 -4.23 -0.423 0.92736E+04 71 clinoenstatite 11.25 7.96 -3.30 -0.330 0.72316E+04 72 protoenstatite 11.71 7.96 -3.75 -0.375 0.82316E+04 73 epidote 11.28 8.92 -2.36 -0.115 0.51787E+04 74 clinozoisite 7.81 5.63 -2.18 -0.099 0.47754E+04 78 forsterite 14.25 10.32 -3.93 -0.561 0.86109E+04 81 gibbsite 0.80 -1.72 -2.52 -0.360 0.55203E+04 82 glaucophane 10.97 7.49 -3.48 -0.094 0.76217E+04 84 goethite 4.14 1.57 -2.57 -0.555 0.56300E+04 85 graphite -2.47 -4.49 -2.02 -0.576 0.44232E+04 88 halite 1.20 -3.16 -4.37 -2.184 0.95761E+04 89 hematite 7.54 3.14 -4.40 -0.534 0.96506E+04 90 heulandite -10.54 -11.07 -0.52 -0.024 0.11497E+04 94 jadeite 1.06 -1.04 -2.09 -0.209 0.45926E+04 96 kalsilite 3.57 0.44 -3.12 -0.446 0.68501E+04 97 kaolinite -6.20 -8.17 -1.97 -0.179 0.43183E+04 98 kyanite -2.41 -5.80 -3.40 -0.340 0.74444E+04 100 laumontite -3.24 -3.96 -0.72 -0.048 0.15793E+04 101 lawsonite 2.07 0.77 -1.30 -0.087 0.28582E+04 102 leucite 0.61 -1.93 -2.53 -0.253 0.55510E+04 104 lizardite 16.27 14.30 -1.97 -0.164 0.43259E+04 105 magnesite -1.26 -3.44 -2.18 -0.726 0.47758E+04 108 minnesotaite-Mg 13.50 9.57 -3.93 -0.231 0.86225E+04 112 margarite 1.01 -2.66 -3.68 -0.147 0.80618E+04 116 monticellite 17.50 12.92 -4.59 -0.655 0.10054E+05 119 muscovite -5.99 -7.73 -1.74 -0.102 0.38153E+04 120 paragonite -4.88 -6.84 -1.96 -0.115 0.43015E+04 121 nepheline 3.97 1.33 -2.64 -0.377 0.57827E+04 133 phlogopite-Na 17.93 15.63 -2.30 -0.128 0.50323E+04 135 prehnite 8.51 7.34 -1.16 -0.068 0.25472E+04 136 prehnite-Fe 12.85 10.63 -2.22 -0.133 0.48588E+04 137 pumpellyite-Fe 20.18 15.87 -4.32 -0.096 0.94612E+04 138 pumpellyite-Mg 22.34 19.32 -3.02 -0.067 0.66323E+04 140 px-Ca-tschermaks 7.80 3.14 -4.66 -0.333 0.10210E+05 141 pyrite -19.55 -20.65 -1.10 -0.258 0.24040E+04 142 pyrrhotite -5.32 -7.55 -2.23 -0.744 0.48908E+04 143 pyrrhotiteFe0.875 -6.61 -8.24 -1.64 -0.601 0.35848E+04 144 pyroxmangite 5.10 1.89 -3.21 -0.641 0.70313E+04 145 pyrophyllite -10.55 -12.90 -2.36 -0.147 0.51708E+04 151 rhodochrosite -2.15 -5.53 -3.38 -1.125 0.74028E+04 152 rhodonite 5.12 1.89 -3.23 -0.646 0.70815E+04 153 sanidine -3.35 -4.29 -0.94 -0.073 0.20674E+04 155 siderite -3.86 -6.89 -3.03 -1.009 0.66356E+04 156 sillimanite -2.25 -5.80 -3.55 -0.355 0.77910E+04 163 stilbite -10.09 -11.07 -0.97 -0.046 0.21376E+04 165 stilpnomelane-Mg 12.40 11.61 -0.78 -0.023 0.17161E+04 166 stishovite 2.28 -2.37 -4.65 -1.549 0.10189E+05 169 sulfur -8.67 -13.10 -4.43 -1.363 0.97155E+04 171 talc 10.36 9.57 -0.79 -0.046 0.17314E+04 173 talc-tschermaks 7.00 2.15 -4.85 -0.285 0.10630E+05 178 topaz-H -1.85 -5.80 -3.95 -0.359 0.86668E+04 179 tridymite -2.14 -2.37 -0.23 -0.077 0.50408E+03 180 tremolite 31.90 30.67 -1.23 -0.033 0.27024E+04 182 troilite-low -5.38 -7.55 -2.18 -0.725 0.47711E+04 188 wairakite -3.29 -3.96 -0.68 -0.040 0.14835E+04 189 walstromite 8.54 6.57 -1.97 -0.394 0.43165E+04 190 wollastonite 7.74 6.57 -1.16 -0.233 0.25515E+04 191 pseudo-wollastonite 8.10 6.57 -1.53 -0.306 0.33502E+04 192 zoisite 7.85 5.63 -2.22 -0.101 0.48636E+04 193 beidellite-Ca -8.16 -11.22 -3.06 -0.189 0.67022E+04 194 beidellite-H -8.57 -12.69 -4.12 -0.263 0.90356E+04 195 beidellite-K -7.65 -11.20 -3.54 -0.217 0.77651E+04 196 beidellite-Mg -8.38 -11.64 -3.27 -0.202 0.71602E+04 197 beidellite-Na -7.58 -10.90 -3.32 -0.203 0.72828E+04 200 chalcedony -2.22 -2.37 -0.15 -0.049 0.32061E+03 201 chalcocite -21.85 -23.22 -1.37 -0.343 0.30045E+04 202 covellite -16.19 -18.16 -1.97 -0.751 0.43216E+04 204 montmorillonite-Ca -6.96 -8.77 -1.81 -0.112 0.39679E+04 205 montmorillonite-K -6.56 -8.75 -2.19 -0.134 0.47950E+04 206 montmorillonite-Mg -7.21 -9.20 -1.99 -0.123 0.43645E+04 207 montmorillonite-Na -6.42 -8.46 -2.03 -0.125 0.44602E+04 209 nontronite-Ca -0.32 -4.64 -4.31 -0.280 0.94603E+04 211 nontronite-K 0.18 -4.62 -4.80 -0.308 0.10523E+05 212 nontronite-Mg -0.54 -5.07 -4.53 -0.294 0.99255E+04 213 nontronite-Na 0.25 -4.33 -4.58 -0.294 0.10043E+05 229 tobermorite 8.52 5.08 -3.44 -0.938 0.75358E+04 235 alabandite -2.46 -6.19 -3.73 -1.242 0.81714E+04 240 boehmite 0.50 -1.72 -2.22 -0.370 0.48693E+04 242 chalcopyrite -24.96 -25.71 -0.75 -0.140 0.16537E+04 245 copper,native -1.47 -5.06 -3.59 -1.250 0.78778E+04 246 dolomite,disordered -2.22 -4.29 -2.07 -0.345 0.45381E+04 247 ferrous-oxide 6.47 2.90 -3.58 -0.894 0.78427E+04 248 fluorite -10.86 -12.43 -1.56 -0.522 0.34310E+04 257 silica-amorphous -1.77 -2.37 -0.60 -0.201 0.13189E+04 260 sphalerite -9.99 -10.29 -0.30 -0.101 0.66388E+03 261 wurtzite -8.56 -10.29 -1.73 -0.576 0.37875E+04 263 an20ab80 -1.99 -2.57 -0.58 -0.044 0.12671E+04 264 an25ab75 -1.73 -2.36 -0.63 -0.049 0.13876E+04 265 an30ab70 -1.46 -2.15 -0.69 -0.053 0.15194E+04 266 tr.625ac.25prg.125 28.10 26.19 -1.92 -0.052 0.42020E+04 271 FeS-amorphous -3.82 -7.55 -3.74 -1.245 0.81920E+04 Calculations done for 206.0000 Deg. C; 17.6114 bar Enthalpies: Pure water 3.7948 kcal/mole H2O,gas 12.0671 kcal/mole CO2,gas 2.4326 kcal/mole CH4,gas 2.3594 kcal/mole Current solution 172.4325 Gas 124.0981 kcal Total current enthalpy 296.5306 kcal Starting enthalpy 296.5306 kcal Temperature changed by -2.000 degrees to 204.000 degrees C. Solids and gases carried ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ Test file for CHIM-XPT. Boil Broadlands Water Water similar to Broadlands Well No. 2 CHIMRUN demo-2a ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ Number of loops used = 11 Loop limit = 200 Temperature = 204.00 C Pressure = 16.90 bar Mixer fraction = 0.0000000 Total current enthalpy = 296.5306 KCAL Water: Moles liquid = 0.4522E+02 kg liquid = 0.8147E+00 Moles total = 0.5551E+02 kg total = 0.1000E+01 Activity = 1.0000 Stoichiometric ionic strength = .4226373E-01 Osmotic coef. = 0.9146 True ionic strength = .4000955E-01 Chg. balance for total moles = 0.2402E-07 Max. difference allowed = 0.3072E-05 Log Log Log Species(n) Molality Molality Activity Activity Gamma Gamma 1 H+ 0.12998E-06 -6.8861 0.96283E-07 -7.0164 0.74078E+00 -0.1303 2 H2O 0.99995E+00 -0.0000 0.99995E+00 -0.0000 3 Cl- 0.36765E-01 -1.4346 0.26894E-01 -1.5703 0.73151E+00 -0.1358 4 SO4-- 0.31807E-06 -6.4975 0.99076E-07 -7.0040 0.31149E+00 -0.5066 5 HCO3- 0.22688E-02 -2.6442 0.16686E-02 -2.7776 0.73547E+00 -0.1334 6 HS- 0.49139E-03 -3.3086 0.35966E-03 -3.4441 0.73193E+00 -0.1355 7 H4SiO4 0.41976E-02 -2.3770 0.41976E-02 -2.3770 0.10000E+01 0.0000 8 Al+++ 0.26567E-21 -21.5757 0.18922E-22 -22.7230 0.71224E-01 -1.1474 9 Ca++ 0.28612E-04 -4.5435 0.87275E-05 -5.0591 0.30503E+00 -0.5157 10 Mg++ 0.75440E-07 -7.1224 0.22658E-07 -7.6448 0.30035E+00 -0.5224 11 Fe++ 0.24072E-10 -10.6185 0.72576E-11 -11.1392 0.30150E+00 -0.5207 12 K+ 0.45433E-02 -2.3426 0.33461E-02 -2.4755 0.73650E+00 -0.1328 13 Na+ 0.35364E-01 -1.4514 0.25874E-01 -1.5871 0.73165E+00 -0.1357 14 Mn++ 0.61224E-09 -9.2131 0.18511E-09 -9.7326 0.30235E+00 -0.5195 15 Zn++ 0.50744E-13 -13.2946 0.15299E-13 -13.8153 0.30150E+00 -0.5207 16 Cu+ 0.50203E-13 -13.2993 0.36724E-13 -13.4350 0.73151E+00 -0.1358 17 Pb++ 0.35432E-13 -13.4506 0.10911E-13 -13.9621 0.30795E+00 -0.5115 18 Hg++ 0.36594E-35 -35.4366 0.11219E-35 -35.9501 0.30657E+00 -0.5135 19 F- 0.29150E-03 -3.5354 0.21116E-03 -3.6754 0.72437E+00 -0.1400 21 HSiO3- 0.77412E-04 -4.1112 0.56628E-04 -4.2470 0.73151E+00 -0.1358 22 Ca(HSiO3)+ 0.13014E-06 -6.8856 0.95914E-07 -7.0181 0.73702E+00 -0.1325 23 Mg(HSiO3)+ 0.27873E-09 -9.5548 0.20543E-09 -9.6873 0.73702E+00 -0.1325 24 NaHSiO3,aq 0.15504E-04 -4.8096 0.15504E-04 -4.8096 0.10000E+01 0.0000 27 HAlO2,aq 0.63908E-08 -8.1944 0.63908E-08 -8.1944 0.10000E+01 0.0000 28 AlO2- 0.19614E-05 -5.7074 0.14230E-05 -5.8468 0.72547E+00 -0.1394 29 CH4,aq 0.66872E-05 -5.1748 0.66005E-05 -5.1804 0.98703E+00 -0.0057 34 CO,aq 0.13039E-08 -8.8848 0.13039E-08 -8.8848 0.10000E+01 0.0000 35 CO2,aq 0.23480E-02 -2.6293 0.23175E-02 -2.6350 0.98703E+00 -0.0057 36 CO3-2 0.18040E-05 -5.7438 0.55822E-06 -6.2532 0.30943E+00 -0.5094 37 CaCO3,aq 0.14388E-05 -5.8420 0.14388E-05 -5.8420 0.10000E+01 0.0000 38 Ca(HCO3)+ 0.53200E-05 -5.2741 0.39209E-05 -5.4066 0.73702E+00 -0.1325 39 CaCl+ 0.59911E-05 -5.2225 0.44155E-05 -5.3550 0.73702E+00 -0.1325 40 CaCl2,aq 0.51468E-07 -7.2885 0.51468E-07 -7.2885 0.10000E+01 0.0000 41 CaF+ 0.46182E-06 -6.3355 0.34037E-06 -6.4680 0.73702E+00 -0.1325 42 CaOH+ 0.17046E-05 -5.7684 0.12563E-05 -5.9009 0.73702E+00 -0.1325 43 CaSO4,aq 0.26228E-08 -8.5812 0.26228E-08 -8.5812 0.10000E+01 0.0000 44 HCl,aq 0.20305E-08 -8.6924 0.20305E-08 -8.6924 0.10000E+01 0.0000 61 HF,aq 0.16250E-05 -5.7891 0.16250E-05 -5.7891 0.10000E+01 0.0000 62 HF2- 0.15255E-09 -9.8166 0.11159E-09 -9.9524 0.73151E+00 -0.1358 69 FeO,aq 0.78009E-10 -10.1079 0.78009E-10 -10.1079 0.10000E+01 0.0000 70 FeOH+ 0.13118E-09 -9.8821 0.96685E-10 -10.0146 0.73702E+00 -0.1325 71 HFeO2- 0.38501E-10 -10.4145 0.28164E-10 -10.5503 0.73151E+00 -0.1358 74 FeO2- 0.28954E-10 -10.5383 0.21180E-10 -10.6741 0.73151E+00 -0.1358 75 HFeO2,aq 0.12411E-10 -10.9062 0.12411E-10 -10.9062 0.10000E+01 0.0000 76 H2,aq 0.14471E-04 -4.8395 0.14284E-04 -4.8452 0.98703E+00 -0.0057 77 Hg,aq 0.30228E-10 -10.5196 0.29836E-10 -10.5253 0.98703E+00 -0.0057 90 KCl,aq 0.16136E-04 -4.7922 0.16136E-04 -4.7922 0.10000E+01 0.0000 92 KOH,aq 0.39904E-06 -6.3990 0.39904E-06 -6.3990 0.10000E+01 0.0000 93 KSO4- 0.41023E-07 -7.3870 0.30009E-07 -7.5228 0.73151E+00 -0.1358 94 MgCO3,aq 0.51256E-09 -9.2903 0.51256E-09 -9.2903 0.10000E+01 0.0000 95 Mg(HCO3)+ 0.13313E-07 -7.8757 0.98120E-08 -8.0082 0.73702E+00 -0.1325 96 MgCl+ 0.89099E-08 -8.0501 0.65667E-08 -8.1826 0.73702E+00 -0.1325 97 MgF+ 0.35423E-08 -8.4507 0.26108E-08 -8.5832 0.73702E+00 -0.1325 98 MgOH+ 0.15046E-07 -7.8226 0.11089E-07 -7.9551 0.73702E+00 -0.1325 101 MnO,aq 0.60576E-10 -10.2177 0.60576E-10 -10.2177 0.10000E+01 0.0000 102 MnOH+ 0.45441E-09 -9.3426 0.33491E-09 -9.4751 0.73702E+00 -0.1325 107 MnCl+ 0.11868E-08 -8.9256 0.87466E-09 -9.0582 0.73702E+00 -0.1325 109 NaCl,aq 0.91843E-03 -3.0370 0.91843E-03 -3.0370 0.10000E+01 0.0000 110 NaF,aq 0.57086E-05 -5.2435 0.57086E-05 -5.2435 0.10000E+01 0.0000 111 NaOH,aq 0.21548E-05 -5.6666 0.21548E-05 -5.6666 0.10000E+01 0.0000 113 OH- 0.77534E-04 -4.1105 0.56249E-04 -4.2499 0.72547E+00 -0.1394 124 Pb(HS)2,aq 0.41971E-08 -8.3771 0.41971E-08 -8.3771 0.10000E+01 0.0000 125 Pb(HS)3- 0.49831E-10 -10.3025 0.36452E-10 -10.4383 0.73151E+00 -0.1358 126 H2S,aq 0.23548E-03 -3.6280 0.23243E-03 -3.6337 0.98703E+00 -0.0057 127 S2-2 0.11649E-09 -9.9337 0.36045E-10 -10.4432 0.30943E+00 -0.5094 135 HSO4- 0.43667E-09 -9.3598 0.32269E-09 -9.4912 0.73899E+00 -0.1314 153 ZnO,aq 0.18546E-10 -10.7317 0.18546E-10 -10.7317 0.10000E+01 0.0000 154 ZnOH+ 0.23386E-09 -9.6310 0.17236E-09 -9.7636 0.73702E+00 -0.1325 164 Cu(HS)2- 0.40930E-07 -7.3880 0.29941E-07 -7.5237 0.73151E+00 -0.1358 166 CuH4S3-b 0.14627E-09 -9.8348 0.10700E-09 -9.9706 0.73151E+00 -0.1358 179 MgSO4,aq 0.24812E-10 -10.6053 0.24812E-10 -10.6053 0.10000E+01 0.0000 180 MnCl2,aq 0.32033E-09 -9.4944 0.32033E-09 -9.4944 0.10000E+01 0.0000 181 MnCl3- 0.52518E-10 -10.2797 0.38417E-10 -10.4155 0.73151E+00 -0.1358 182 MnCO3,aq 0.63600E-09 -9.1965 0.63600E-09 -9.1965 0.10000E+01 0.0000 183 NaCO3- 0.88692E-06 -6.0521 0.64879E-06 -6.1879 0.73151E+00 -0.1358 184 NaHCO3,aq 0.52728E-04 -4.2780 0.52728E-04 -4.2780 0.10000E+01 0.0000 185 NaHS,aq 0.11365E-04 -4.9444 0.11365E-04 -4.9444 0.10000E+01 0.0000 186 NaSO4- 0.84834E-07 -7.0714 0.62057E-07 -7.2072 0.73151E+00 -0.1358 187 PbCO3,aq 0.32924E-09 -9.4825 0.32924E-09 -9.4825 0.10000E+01 0.0000 188 PbOH+ 0.27876E-10 -10.5548 0.20545E-10 -10.6873 0.73702E+00 -0.1325 193 Zn(HS)2,aq 0.18089E-07 -7.7426 0.18089E-07 -7.7426 0.10000E+01 0.0000 194 Zn(HS)3- 0.42962E-09 -9.3669 0.31427E-09 -9.5027 0.73151E+00 -0.1358 Charge balance for all species = 0.2948E-07 Component Molality Aq.molality ppm log[A(N)/A(H+)**Z] (total) 1 H+ 0.1299754E-06 0.2394760E-02 0.2406461E+01 0.0000 2 H2O 0.1000000E+01 0.5550592E+02 0.9969261E+06 0.0000 3 Cl- 0.3676486E-01 0.3770553E-01 0.1332724E+04 5.4461 4 SO4-- 0.3180716E-06 -.9858304E-05 -.9441352E+00 7.0289 5 HCO3- 0.2268761E-02 0.4685631E-02 0.2850379E+03 4.2388 6 HS- 0.4913884E-03 0.7486696E-03 0.2468498E+02 3.5723 7 H4SiO4 0.4197644E-02 0.4290691E-02 0.4111520E+03 -2.3770 8 Al+++ 0.2656708E-21 0.1967838E-05 0.5293436E-01 -1.6737 9 Ca++ 0.2861171E-04 0.4371216E-04 0.1746588E+01 8.9738 10 Mg++ 0.7543981E-07 0.1170669E-06 0.2837506E-02 6.3881 11 Fe++ 0.2407195E-10 0.3174735E-09 0.1767623E-04 2.8937 12 K+ 0.4543298E-02 0.4559873E-02 0.1777600E+03 4.5410 13 Na+ 0.3536430E-01 0.3637116E-01 0.8336323E+03 5.4293 14 Mn++ 0.6122427E-09 0.3330477E-08 0.1824154E-03 4.3003 15 Zn++ 0.5074360E-13 0.1877902E-07 0.1223865E-02 0.2176 16 Cu+ 0.5020300E-13 0.4108812E-07 0.2602829E-02 -6.4186 17 Pb++ 0.3543152E-13 0.4613015E-08 0.9528748E-03 0.0708 18 Hg++ 0.3659418E-35 0.3057107E-10 0.6113672E-05 -21.9172 19 F- 0.2915037E-03 0.2993030E-03 0.5668931E+01 3.3411 Component Tot moles Aq. moles Solid moles Gas moles 1 H+ 0.1822172E+00 0.1951104E-02 -.2853064E-05 0.1802690E+00 2 H2O 0.5550825E+02 0.4522283E+02 -.8717580E-02 0.1029414E+02 3 Cl- 0.3072017E-01 0.3072017E-01 0.0000000E+00 0.3649629E-09 4 SO4-- -.4257700E-02 -.8031944E-05 0.7224502E-09 -.4249669E-02 5 HCO3- 0.1832100E+00 0.3817566E-02 0.0000000E+00 0.1793924E+00 6 HS- 0.9985820E-02 0.6099703E-03 0.2973755E-07 0.9375820E-02 7 H4SiO4 0.7855346E-02 0.3495793E-02 0.4359553E-02 0.0000000E+00 8 Al+++ 0.2253680E-05 0.1603274E-05 0.6504057E-06 0.0000000E+00 9 Ca++ 0.3561400E-04 0.3561400E-04 0.0000000E+00 0.0000000E+00 10 Mg++ 0.2355503E-06 0.9537893E-07 0.1401714E-06 0.0000000E+00 11 Fe++ 0.8017372E-08 0.2586580E-09 0.7758714E-08 0.0000000E+00 12 K+ 0.3715700E-02 0.3715106E-02 0.5935347E-06 0.0000000E+00 13 Na+ 0.2963300E-01 0.2963300E-01 0.0000000E+00 0.0000000E+00 14 Mn++ 0.2740424E-08 0.2713469E-08 0.2695434E-10 0.0000000E+00 15 Zn++ 0.1530000E-07 0.1530000E-07 0.0000000E+00 0.0000000E+00 16 Cu+ 0.6237410E-07 0.3347609E-07 0.2889801E-07 0.0000000E+00 17 Pb++ 0.1110000E-07 0.3758403E-08 0.7341597E-08 0.0000000E+00 18 Hg++ 0.4000000E-08 0.2490744E-10 0.0000000E+00 0.3975093E-08 19 F- 0.2439100E-03 0.2438538E-03 0.0000000E+00 0.5616647E-07 Chg. balance for solid moles: 0.3326E-16 Mass of aqueous solution: 0.817215E+03 g Temperature = 204.00 C Pressure = 16.90 bar Mixer frac. = 0.0000000 Log Log Vol Gas or mineral Moles Moles Grams Grams Wt.% (cm3) H2O,gas 10.46 1.020 188.4 2.275 95.93 0.2212E+05 CO2,gas 0.1765 -0.753 7.770 0.890 3.956 429.4 CH4,gas 0.2848E-02 -2.546 0.4567E-01 -1.340 0.2325E-01 7.314 H2,gas 0.5608E-02 -2.251 0.1133E-01 -1.946 0.5767E-02 13.26 H2S,gas 0.5126E-02 -2.290 0.1747 -0.758 0.8894E-01 11.65 CO,gas 0.4891E-06 -6.311 0.1370E-04 -4.863 0.6975E-05 0.1149E-02 SO2,gas 0.4437E-13 -13.353 0.2842E-11 -11.546 0.1447E-11 0.1042E-09 HF,gas 0.5617E-07 -7.251 0.1123E-05 -5.949 0.5719E-06 0.1319E-03 HCl,gas 0.3650E-09 -9.438 0.1331E-07 -7.876 0.6774E-08 0.8570E-06 Hg,gas 0.3975E-08 -8.401 0.7974E-06 -6.098 0.4059E-06 0.9334E-05 clinochlore 0.2803E-07 -7.552 0.1558E-04 -4.807 0.5948E-02 0.5927E-05 daphnite 0.3958E-09 -9.402 0.2824E-06 -6.549 0.1078E-03 0.8558E-07 chlorite-Mn 0.5391E-11 -11.268 0.3822E-08 -8.418 0.1459E-05 0.1218E-08 microcline 0.5935E-06 -6.227 0.1652E-03 -3.782 0.6306E-01 0.6453E-04 quartz 0.4358E-02 -2.361 0.2618 -0.582 99.93 0.9887E-01 bornite 0.5780E-08 -8.238 0.2900E-05 -5.538 0.1107E-02 0.5706E-06 galena 0.7342E-08 -8.134 0.1756E-05 -5.755 0.6704E-03 0.2312E-06 Partial press. Fugacity coef Log fugacity Gas or Mineral Mole fraction or activity Activity coef Log activity H2O,gas 0.9822E+00 0.1659E+02 0.9104 1.179 CO2,gas 0.1657E-01 0.2800E+00 1.0173 -0.545 CH4,gas 0.2673E-03 0.4516E-02 1.0865 -2.309 H2,gas 0.5265E-03 0.8894E-02 1.0071 -2.048 H2S,gas 0.4812E-03 0.8130E-02 0.9681 -2.104 CO,gas 0.4592E-07 0.7758E-06 1.0000 -6.110 SO2,gas 0.4165E-14 0.7037E-13 1.0000 -13.153 HF,gas 0.5273E-08 0.8908E-07 1.0000 -7.050 HCl,gas 0.3426E-10 0.5788E-09 1.0000 -9.237 Hg,gas 0.3732E-09 0.6305E-08 1.0000 -8.200 clinochlore 0.9859E+00 0.9859E+00 1.0000 -0.006 daphnite 0.1392E-01 0.1392E-01 1.0000 -1.856 chlorite-Mn 0.1896E-03 0.1896E-03 1.0000 -3.722 microcline 0.1000E+01 0.1000E+01 1.0000 0.000 quartz 0.1000E+01 0.1000E+01 1.0000 0.000 bornite 0.1000E+01 0.1000E+01 1.0000 0.000 galena 0.1000E+01 0.1000E+01 1.0000 0.000 Current weight percent of gas: 19.373270 % Solid products produced: Mass = 0.261996 g Volume = 0.098942 cm3 WARNING: mineral volume may be in error because some mineral densities were not supplied in SOLTHERM. See mineral list in file Skip_Species.txt. NON-Ideal mixing with H2O, CO2, CH4 Gases ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ The following gases and minerals are presently in matrix or were just added Gas or Mineral Log K Log Q Log(Q/K) Log(Q/K)/S Affinity Log Fugacity 1 H2O,gas 0.05 0.05 -0.00 -0.000 0.13451E-08 2 CO2,gas -8.02 -8.02 0.00 0.000 -0.48092E-09 3 CH4,gas 4.32 4.32 0.00 0.000 -0.12644E-08 4 H2,gas 5.92 5.92 0.00 0.000 -0.95021E-10 5 H2S,gas -7.13 -7.13 -0.00 -0.000 0.43632E-09 6 CO,gas 0.19 0.19 -0.00 -0.000 0.48480E-12 7 SO2,gas -4.01 -4.01 -0.00 -0.000 0.19392E-11 8 HF,gas -2.41 -2.41 0.00 0.000 -0.19392E-11 9 HCl,gas 1.88 1.88 -0.00 -0.000 0.48480E-12 10 Hg,gas -9.84 -9.84 0.00 0.000 -0.38784E-11 43 clinochlore 21.49 21.49 0.00 0.000 -0.23271E-10 44 daphnite 13.27 13.27 0.00 0.000 -0.38784E-11 45 chlorite-Mn 29.63 29.63 0.00 0.000 -0.15514E-10 115 microcline -4.26 -4.26 -0.00 -0.000 0.38784E-11 146 quartz -2.38 -2.38 0.00 0.000 0.00000E+00 198 bornite -72.36 -72.36 0.00 0.000 0.00000E+00 249 galena -10.39 -10.39 0.00 0.000 0.00000E+00 The following gases and minerals are presently EXCLUDED from matrix (Gases and minerals with log(Q/K) less than -5 are not listed below) Gas or Mineral Log K Log Q Log(Q/K) Log(Q/K)/S Affinity Log Fugacity 11 acmite 5.62 2.25 -3.37 -0.351 0.73682E+04 15 albite-high -2.25 -3.38 -1.13 -0.087 0.24624E+04 16 albite -2.90 -3.38 -0.48 -0.037 0.10454E+04 20 analcite 0.20 -1.00 -1.20 -0.133 0.26118E+04 21 andalusite -2.30 -5.72 -3.42 -0.342 0.74676E+04 22 andradite 27.34 22.93 -4.40 -0.229 0.96167E+04 23 grossular 18.75 16.44 -2.30 -0.115 0.50289E+04 24 anhydrite -7.35 -12.06 -4.71 -2.356 0.10287E+05 25 ankerite -4.75 -7.72 -2.97 -0.495 0.64867E+04 27 phlogopite 16.35 14.90 -1.45 -0.080 0.31628E+04 29 anorthite 3.03 0.87 -2.15 -0.166 0.47019E+04 32 aragonite -0.46 -0.82 -0.36 -0.119 0.77720E+03 33 brucite 9.31 6.39 -2.92 -0.584 0.63795E+04 34 calcite -0.62 -0.82 -0.20 -0.067 0.44131E+03 35 carnegieite-low 4.60 1.38 -3.22 -0.460 0.70277E+04 36 carnegieite-high 5.26 1.38 -3.88 -0.554 0.84656E+04 37 carpholite-Mg 0.63 -1.71 -2.34 -0.156 0.51078E+04 38 carpholite-Fe -0.90 -5.21 -4.31 -0.287 0.93994E+04 39 celadonite 1.62 -0.25 -1.88 -0.110 0.40973E+04 40 celadonite-Fe 0.31 -3.75 -4.05 -0.239 0.88526E+04 41 chrysotile 16.74 14.41 -2.33 -0.194 0.50831E+04 46 chlorite-Al-free 33.10 28.82 -4.28 -0.178 0.93479E+04 47 chloritoid-Mg 3.76 0.66 -3.10 -0.206 0.67613E+04 48 chloritoid-Fe 0.67 -2.83 -3.50 -0.233 0.76391E+04 49 chloritoid-Mn 2.88 -1.42 -4.30 -0.287 0.93969E+04 51 coesite -1.88 -2.38 -0.50 -0.166 0.10882E+04 56 corundum 0.38 -3.35 -3.73 -0.339 0.81476E+04 58 cristobalite -2.11 -2.38 -0.26 -0.087 0.57259E+03 61 cymrite-K -0.85 -4.26 -3.41 -0.284 0.74494E+04 63 diaspore -0.45 -1.67 -1.22 -0.204 0.26697E+04 64 diamond -2.09 -4.51 -2.42 -0.691 0.52785E+04 65 diopside 11.28 10.61 -0.67 -0.067 0.14605E+04 66 hedenbergite 9.65 7.11 -2.53 -0.253 0.55301E+04 67 dolomite,ordered -2.57 -4.23 -1.66 -0.276 0.36201E+04 68 eastonite 12.26 7.54 -4.72 -0.181 0.10301E+05 69 enstatite 11.42 8.02 -3.39 -0.339 0.74107E+04 70 clinoenstatite-HiP 12.28 8.02 -4.26 -0.426 0.92904E+04 71 clinoenstatite 11.34 8.02 -3.32 -0.332 0.72485E+04 72 protoenstatite 11.80 8.02 -3.78 -0.378 0.82508E+04 73 epidote 11.49 9.04 -2.45 -0.119 0.53390E+04 74 clinozoisite 8.04 5.80 -2.24 -0.102 0.48990E+04 78 forsterite 14.35 10.40 -3.95 -0.565 0.86292E+04 81 gibbsite 0.85 -1.67 -2.52 -0.361 0.55123E+04 82 glaucophane 11.15 7.66 -3.49 -0.094 0.76193E+04 84 goethite 4.17 1.57 -2.60 -0.563 0.56817E+04 85 graphite -2.48 -4.51 -2.02 -0.578 0.44195E+04 88 halite 1.21 -3.16 -4.37 -2.186 0.95459E+04 89 hematite 7.62 3.14 -4.48 -0.543 0.97774E+04 90 heulandite -10.47 -11.01 -0.54 -0.025 0.11848E+04 94 jadeite 1.11 -1.00 -2.10 -0.210 0.45954E+04 96 kalsilite 3.63 0.49 -3.14 -0.448 0.68530E+04 97 kaolinite -6.12 -8.10 -1.98 -0.180 0.43175E+04 98 kyanite -2.29 -5.72 -3.43 -0.343 0.74937E+04 100 laumontite -3.15 -3.88 -0.73 -0.049 0.16012E+04 101 lawsonite 2.19 0.87 -1.32 -0.088 0.28832E+04 102 leucite 0.66 -1.89 -2.55 -0.255 0.55626E+04 104 lizardite 16.38 14.41 -1.97 -0.164 0.42932E+04 105 magnesite -1.23 -3.41 -2.18 -0.726 0.47551E+04 108 minnesotaite-Mg 13.60 9.66 -3.95 -0.232 0.86184E+04 112 margarite 1.27 -2.48 -3.74 -0.150 0.81743E+04 116 monticellite 17.61 12.98 -4.62 -0.660 0.10092E+05 119 muscovite -5.85 -7.61 -1.76 -0.103 0.38416E+04 120 paragonite -4.73 -6.72 -1.99 -0.117 0.43412E+04 121 nepheline 4.03 1.38 -2.66 -0.379 0.57987E+04 133 phlogopite-Na 18.10 15.79 -2.31 -0.129 0.50514E+04 135 prehnite 8.68 7.47 -1.21 -0.071 0.26335E+04 136 prehnite-Fe 13.00 10.71 -2.28 -0.137 0.49859E+04 137 pumpellyite-Fe 20.59 16.16 -4.43 -0.098 0.96750E+04 138 pumpellyite-Mg 22.76 19.65 -3.10 -0.069 0.67766E+04 140 px-Ca-tschermaks 7.96 3.25 -4.71 -0.337 0.10293E+05 141 pyrite -19.56 -20.67 -1.11 -0.261 0.24206E+04 142 pyrrhotite -5.30 -7.57 -2.27 -0.756 0.49544E+04 143 pyrrhotiteFe0.875 -6.59 -8.26 -1.67 -0.613 0.36365E+04 144 pyroxmangite 5.13 1.92 -3.21 -0.642 0.70118E+04 145 pyrophyllite -10.48 -12.86 -2.38 -0.149 0.51942E+04 151 rhodochrosite -2.13 -5.49 -3.37 -1.123 0.73531E+04 152 rhodonite 5.16 1.92 -3.23 -0.647 0.70626E+04 153 sanidine -3.32 -4.26 -0.95 -0.073 0.20675E+04 155 siderite -3.84 -6.90 -3.06 -1.020 0.66842E+04 156 sillimanite -2.13 -5.72 -3.59 -0.359 0.78460E+04 163 stilbite -10.05 -11.01 -0.96 -0.046 0.20981E+04 165 stilpnomelane-Mg 12.62 11.85 -0.78 -0.023 0.16958E+04 166 stishovite 2.29 -2.38 -4.66 -1.554 0.10181E+05 169 sulfur -8.67 -13.10 -4.44 -1.366 0.96908E+04 171 talc 10.45 9.66 -0.79 -0.046 0.17251E+04 173 talc-tschermaks 7.19 2.30 -4.89 -0.288 0.10675E+05 178 topaz-H -1.75 -5.72 -3.98 -0.362 0.86831E+04 179 tridymite -2.15 -2.38 -0.23 -0.077 0.50639E+03 180 tremolite 32.14 30.87 -1.27 -0.034 0.27686E+04 182 troilite-low -5.35 -7.57 -2.21 -0.738 0.48320E+04 188 wairakite -3.17 -3.88 -0.71 -0.042 0.15438E+04 189 walstromite 8.59 6.60 -1.99 -0.398 0.43457E+04 190 wollastonite 7.78 6.60 -1.18 -0.236 0.25802E+04 191 pseudo-wollastonite 8.15 6.60 -1.55 -0.310 0.33811E+04 192 zoisite 8.08 5.80 -2.28 -0.104 0.49874E+04 193 beidellite-Ca -8.05 -11.14 -3.09 -0.191 0.67412E+04 194 beidellite-H -8.47 -12.62 -4.15 -0.265 0.90673E+04 195 beidellite-K -7.56 -11.12 -3.57 -0.218 0.77889E+04 196 beidellite-Mg -8.27 -11.57 -3.30 -0.204 0.71961E+04 197 beidellite-Na -7.48 -10.83 -3.35 -0.205 0.73113E+04 200 chalcedony -2.23 -2.38 -0.15 -0.049 0.32055E+03 201 chalcocite -21.93 -23.30 -1.37 -0.342 0.29850E+04 202 covellite -16.24 -18.20 -1.97 -0.749 0.42920E+04 204 montmorillonite-Ca -6.89 -8.71 -1.83 -0.113 0.39927E+04 205 montmorillonite-K -6.49 -8.70 -2.20 -0.135 0.48075E+04 206 montmorillonite-Mg -7.13 -9.14 -2.01 -0.124 0.43858E+04 207 montmorillonite-Na -6.35 -8.40 -2.05 -0.125 0.44743E+04 209 nontronite-Ca -0.27 -4.65 -4.38 -0.284 0.95718E+04 211 nontronite-K 0.23 -4.63 -4.86 -0.312 0.10619E+05 212 nontronite-Mg -0.48 -5.08 -4.60 -0.298 0.10034E+05 213 nontronite-Na 0.31 -4.34 -4.65 -0.298 0.10144E+05 229 tobermorite 8.54 5.10 -3.44 -0.938 0.75070E+04 235 alabandite -2.43 -6.16 -3.73 -1.243 0.81427E+04 240 boehmite 0.56 -1.67 -2.24 -0.373 0.48865E+04 242 chalcopyrite -25.00 -25.77 -0.77 -0.144 0.16878E+04 245 copper,native -1.49 -5.10 -3.61 -1.254 0.78721E+04 246 dolomite,disordered -2.15 -4.23 -2.07 -0.346 0.45266E+04 247 ferrous-oxide 6.52 2.89 -3.63 -0.908 0.79256E+04 248 fluorite -10.84 -12.41 -1.57 -0.525 0.34373E+04 257 silica-amorphous -1.77 -2.38 -0.61 -0.202 0.13231E+04 260 sphalerite -9.98 -10.24 -0.26 -0.086 0.56597E+03 261 wurtzite -8.55 -10.24 -1.69 -0.563 0.36897E+04 263 an20ab80 -1.93 -2.53 -0.60 -0.046 0.13021E+04 264 an25ab75 -1.66 -2.31 -0.65 -0.050 0.14267E+04 265 an30ab70 -1.39 -2.10 -0.72 -0.055 0.15624E+04 266 tr.625ac.25prg.125 28.36 26.35 -2.01 -0.054 0.43914E+04 271 FeS-amorphous -3.80 -7.57 -3.76 -1.254 0.82145E+04 Calculations done for 204.0000 Deg. C; 16.8951 bar Enthalpies: Pure water 3.7564 kcal/mole H2O,gas 12.0644 kcal/mole CO2,gas 2.3931 kcal/mole CH4,gas 2.3215 kcal/mole Current solution 169.8809 Gas 126.6497 kcal Total current enthalpy 296.5306 kcal Starting enthalpy 296.5306 kcal Temperature changed by -2.000 degrees to 202.000 degrees C. Solids and gases carried ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ Test file for CHIM-XPT. Boil Broadlands Water Water similar to Broadlands Well No. 2 CHIMRUN demo-2a ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ Number of loops used = 11 Loop limit = 200 Temperature = 202.00 C Pressure = 16.20 bar Mixer fraction = 0.0000000 Total current enthalpy = 296.5306 KCAL Water: Moles liquid = 0.4501E+02 kg liquid = 0.8109E+00 Moles total = 0.5551E+02 kg total = 0.1000E+01 Activity = 1.0000 Stoichiometric ionic strength = .4237540E-01 Osmotic coef. = 0.9152 True ionic strength = .4022198E-01 Chg. balance for total moles = 0.2402E-07 Max. difference allowed = 0.3072E-05 Log Log Log Species(n) Molality Molality Activity Activity Gamma Gamma 1 H+ 0.12652E-06 -6.8978 0.93855E-07 -7.0275 0.74183E+00 -0.1297 2 H2O 0.99996E+00 -0.0000 0.99996E+00 -0.0000 3 Cl- 0.36960E-01 -1.4323 0.27077E-01 -1.5674 0.73260E+00 -0.1351 4 SO4-- 0.34252E-06 -6.4653 0.10728E-06 -6.9695 0.31322E+00 -0.5042 5 HCO3- 0.22847E-02 -2.6412 0.16827E-02 -2.7740 0.73653E+00 -0.1328 6 HS- 0.48891E-03 -3.3108 0.35838E-03 -3.4457 0.73301E+00 -0.1349 7 H4SiO4 0.41070E-02 -2.3865 0.41070E-02 -2.3865 0.10000E+01 0.0000 8 Al+++ 0.26883E-21 -21.5705 0.19391E-22 -22.7124 0.72132E-01 -1.1419 9 Ca++ 0.29138E-04 -4.5355 0.89385E-05 -5.0487 0.30676E+00 -0.5132 10 Mg++ 0.78706E-07 -7.1040 0.23776E-07 -7.6239 0.30209E+00 -0.5199 11 Fe++ 0.22507E-10 -10.6477 0.68248E-11 -11.1659 0.30323E+00 -0.5182 12 K+ 0.45652E-02 -2.3405 0.33671E-02 -2.4727 0.73755E+00 -0.1322 13 Na+ 0.35553E-01 -1.4491 0.26051E-01 -1.5842 0.73273E+00 -0.1351 14 Mn++ 0.63256E-09 -9.1989 0.19236E-09 -9.7159 0.30409E+00 -0.5170 15 Zn++ 0.54763E-13 -13.2615 0.16606E-13 -13.7797 0.30323E+00 -0.5182 16 Cu+ 0.45172E-13 -13.3451 0.33093E-13 -13.4803 0.73259E+00 -0.1351 17 Pb++ 0.33005E-13 -13.4814 0.10221E-13 -13.9905 0.30968E+00 -0.5091 18 Hg++ 0.30545E-35 -35.5151 0.94168E-36 -36.0261 0.30830E+00 -0.5110 19 F- 0.29315E-03 -3.5329 0.21269E-03 -3.6723 0.72552E+00 -0.1393 21 HSiO3- 0.78367E-04 -4.1059 0.57411E-04 -4.2410 0.73260E+00 -0.1351 22 Ca(HSiO3)+ 0.12840E-06 -6.8914 0.94767E-07 -7.0233 0.73806E+00 -0.1319 23 Mg(HSiO3)+ 0.28390E-09 -9.5468 0.20954E-09 -9.6787 0.73806E+00 -0.1319 24 NaHSiO3,aq 0.15757E-04 -4.8025 0.15757E-04 -4.8025 0.10000E+01 0.0000 27 HAlO2,aq 0.61600E-08 -8.2104 0.61600E-08 -8.2104 0.10000E+01 0.0000 28 AlO2- 0.18729E-05 -5.7275 0.13609E-05 -5.8662 0.72661E+00 -0.1387 29 CH4,aq 0.61677E-05 -5.2099 0.60875E-05 -5.2156 0.98699E+00 -0.0057 34 CO,aq 0.11181E-08 -8.9515 0.11181E-08 -8.9515 0.10000E+01 0.0000 35 CO2,aq 0.21985E-02 -2.6579 0.21699E-02 -2.6636 0.98699E+00 -0.0057 36 CO3-2 0.19151E-05 -5.7178 0.59590E-06 -6.2248 0.31116E+00 -0.5070 37 CaCO3,aq 0.14637E-05 -5.8345 0.14637E-05 -5.8345 0.10000E+01 0.0000 38 Ca(HCO3)+ 0.51961E-05 -5.2843 0.38350E-05 -5.4162 0.73806E+00 -0.1319 39 CaCl+ 0.58399E-05 -5.2336 0.43102E-05 -5.3655 0.73806E+00 -0.1319 40 CaCl2,aq 0.49426E-07 -7.3060 0.49426E-07 -7.3060 0.10000E+01 0.0000 41 CaF+ 0.44932E-06 -6.3474 0.33163E-06 -6.4794 0.73806E+00 -0.1319 42 CaOH+ 0.16509E-05 -5.7823 0.12185E-05 -5.9142 0.73806E+00 -0.1319 43 CaSO4,aq 0.27486E-08 -8.5609 0.27486E-08 -8.5609 0.10000E+01 0.0000 44 HCl,aq 0.19104E-08 -8.7189 0.19104E-08 -8.7189 0.10000E+01 0.0000 61 HF,aq 0.15171E-05 -5.8190 0.15171E-05 -5.8190 0.10000E+01 0.0000 62 HF2- 0.14370E-09 -9.8425 0.10528E-09 -9.9777 0.73260E+00 -0.1351 69 FeO,aq 0.68405E-10 -10.1649 0.68405E-10 -10.1649 0.10000E+01 0.0000 70 FeOH+ 0.11931E-09 -9.9233 0.88058E-10 -10.0552 0.73806E+00 -0.1319 71 HFeO2- 0.34231E-10 -10.4656 0.25078E-10 -10.6007 0.73260E+00 -0.1351 74 FeO2- 0.25336E-10 -10.5963 0.18561E-10 -10.7314 0.73260E+00 -0.1351 75 HFeO2,aq 0.11069E-10 -10.9559 0.11069E-10 -10.9559 0.10000E+01 0.0000 76 H2,aq 0.13320E-04 -4.8755 0.13147E-04 -4.8812 0.98699E+00 -0.0057 77 Hg,aq 0.28002E-10 -10.5528 0.27638E-10 -10.5585 0.98699E+00 -0.0057 90 KCl,aq 0.15636E-04 -4.8059 0.15636E-04 -4.8059 0.10000E+01 0.0000 92 KOH,aq 0.39439E-06 -6.4041 0.39439E-06 -6.4041 0.10000E+01 0.0000 93 KSO4- 0.42827E-07 -7.3683 0.31375E-07 -7.5034 0.73260E+00 -0.1351 94 MgCO3,aq 0.53955E-09 -9.2680 0.53955E-09 -9.2680 0.10000E+01 0.0000 95 Mg(HCO3)+ 0.13353E-07 -7.8744 0.98555E-08 -8.0063 0.73806E+00 -0.1319 96 MgCl+ 0.89703E-08 -8.0472 0.66206E-08 -8.1791 0.73806E+00 -0.1319 97 MgF+ 0.35455E-08 -8.4503 0.26168E-08 -8.5822 0.73806E+00 -0.1319 98 MgOH+ 0.15007E-07 -7.8237 0.11076E-07 -7.9556 0.73806E+00 -0.1319 101 MnO,aq 0.58732E-10 -10.2311 0.58732E-10 -10.2311 0.10000E+01 0.0000 102 MnOH+ 0.45464E-09 -9.3423 0.33555E-09 -9.4742 0.73806E+00 -0.1319 107 MnCl+ 0.11572E-08 -8.9366 0.85412E-09 -9.0685 0.73806E+00 -0.1319 109 NaCl,aq 0.90183E-03 -3.0449 0.90183E-03 -3.0449 0.10000E+01 0.0000 110 NaF,aq 0.55980E-05 -5.2520 0.55980E-05 -5.2520 0.10000E+01 0.0000 111 NaOH,aq 0.21405E-05 -5.6695 0.21405E-05 -5.6695 0.10000E+01 0.0000 113 OH- 0.77847E-04 -4.1088 0.56565E-04 -4.2475 0.72661E+00 -0.1387 124 Pb(HS)2,aq 0.38328E-08 -8.4165 0.38328E-08 -8.4165 0.10000E+01 0.0000 125 Pb(HS)3- 0.44502E-10 -10.3516 0.32602E-10 -10.4868 0.73260E+00 -0.1351 126 H2S,aq 0.22171E-03 -3.6542 0.21882E-03 -3.6599 0.98699E+00 -0.0057 127 S2-2 0.11453E-09 -9.9411 0.35637E-10 -10.4481 0.31116E+00 -0.5070 135 HSO4- 0.42889E-09 -9.3677 0.31739E-09 -9.4984 0.74003E+00 -0.1308 153 ZnO,aq 0.18984E-10 -10.7216 0.18984E-10 -10.7216 0.10000E+01 0.0000 154 ZnOH+ 0.24015E-09 -9.6195 0.17725E-09 -9.7514 0.73806E+00 -0.1319 164 Cu(HS)2- 0.39631E-07 -7.4020 0.29034E-07 -7.5371 0.73260E+00 -0.1351 166 CuH4S3-b 0.15190E-09 -9.8184 0.11128E-09 -9.9536 0.73260E+00 -0.1351 179 MgSO4,aq 0.26813E-10 -10.5717 0.26813E-10 -10.5717 0.10000E+01 0.0000 180 MnCl2,aq 0.30103E-09 -9.5214 0.30103E-09 -9.5214 0.10000E+01 0.0000 181 MnCl3- 0.49098E-10 -10.3089 0.35969E-10 -10.4441 0.73260E+00 -0.1351 182 MnCO3,aq 0.68607E-09 -9.1636 0.68607E-09 -9.1636 0.10000E+01 0.0000 183 NaCO3- 0.93311E-06 -6.0301 0.68359E-06 -6.1652 0.73260E+00 -0.1351 184 NaHCO3,aq 0.51922E-04 -4.2847 0.51922E-04 -4.2847 0.10000E+01 0.0000 185 NaHS,aq 0.11058E-04 -4.9563 0.11058E-04 -4.9563 0.10000E+01 0.0000 186 NaSO4- 0.89823E-07 -7.0466 0.65804E-07 -7.1817 0.73260E+00 -0.1351 187 PbCO3,aq 0.31890E-09 -9.4963 0.31890E-09 -9.4963 0.10000E+01 0.0000 188 PbOH+ 0.25593E-10 -10.5919 0.18889E-10 -10.7238 0.73806E+00 -0.1319 193 Zn(HS)2,aq 0.18163E-07 -7.7408 0.18163E-07 -7.7408 0.10000E+01 0.0000 194 Zn(HS)3- 0.43719E-09 -9.3593 0.32029E-09 -9.4945 0.73260E+00 -0.1351 Charge balance for all species = 0.2962E-07 Component Molality Aq.molality ppm log[A(N)/A(H+)**Z] (total) 1 H+ 0.1265179E-06 0.2230403E-02 0.2241310E+01 -0.0000 2 H2O 0.1000000E+01 0.5550606E+02 0.9969324E+06 0.0000 3 Cl- 0.3696002E-01 0.3788343E-01 0.1339017E+04 5.4601 4 SO4-- 0.3425229E-06 -.9019613E-05 -.8638165E+00 7.0856 5 HCO3- 0.2284699E-02 0.4550818E-02 0.2768379E+03 4.2536 6 HS- 0.4889146E-03 0.7313027E-03 0.2411246E+02 3.5819 7 H4SiO4 0.4106988E-02 0.4201241E-02 0.4025820E+03 -2.3865 8 Al+++ 0.2688251E-21 0.1879097E-05 0.5054743E-01 -1.6298 9 Ca++ 0.2913798E-04 0.4391840E-04 0.1754835E+01 9.0064 10 Mg++ 0.7870648E-07 0.1204331E-06 0.2919109E-02 6.4312 11 Fe++ 0.2250668E-10 0.2847665E-09 0.1585523E-04 2.8892 12 K+ 0.4565215E-02 0.4581288E-02 0.1785954E+03 4.5548 13 Na+ 0.3555344E-01 0.3654276E-01 0.8375685E+03 5.4434 14 Mn++ 0.6325644E-09 0.3346990E-08 0.1833205E-03 4.3392 15 Zn++ 0.5476305E-13 0.1886762E-07 0.1229644E-02 0.2754 16 Cu+ 0.4517200E-13 0.3979379E-07 0.2520846E-02 -6.4527 17 Pb++ 0.3300461E-13 0.4229943E-08 0.8737498E-03 0.0646 18 Hg++ 0.3054462E-35 0.2833650E-10 0.5666818E-05 -21.9710 19 F- 0.2931505E-03 0.3007187E-03 0.5695766E+01 3.3553 Component Tot moles Aq. moles Solid moles Gas moles 1 H+ 0.1822172E+00 0.1808663E-02 -.3168054E-05 0.1804117E+00 2 H2O 0.5550825E+02 0.4501059E+02 -.8895330E-02 0.1050656E+02 3 Cl- 0.3072017E-01 0.3072017E-01 0.0000000E+00 0.3406228E-09 4 SO4-- -.4257700E-02 -.7314121E-05 0.7526200E-09 -.4250387E-02 5 HCO3- 0.1832100E+00 0.3690317E-02 0.0000000E+00 0.1795197E+00 6 HS- 0.9985820E-02 0.5930229E-03 0.3100110E-07 0.9392766E-02 7 H4SiO4 0.7855346E-02 0.3406841E-02 0.4448505E-02 0.0000000E+00 8 Al+++ 0.2253680E-05 0.1523784E-05 0.7298959E-06 0.0000000E+00 9 Ca++ 0.3561400E-04 0.3561400E-04 0.0000000E+00 0.0000000E+00 10 Mg++ 0.2355503E-06 0.9766077E-07 0.1378895E-06 0.0000000E+00 11 Fe++ 0.8017372E-08 0.2309208E-09 0.7786451E-08 0.0000000E+00 12 K+ 0.3715700E-02 0.3715026E-02 0.6740233E-06 0.0000000E+00 13 Na+ 0.2963300E-01 0.2963300E-01 0.0000000E+00 0.0000000E+00 14 Mn++ 0.2740424E-08 0.2714117E-08 0.2630644E-10 0.0000000E+00 15 Zn++ 0.1530000E-07 0.1530000E-07 0.0000000E+00 0.0000000E+00 16 Cu+ 0.6237410E-07 0.3226930E-07 0.3010480E-07 0.0000000E+00 17 Pb++ 0.1110000E-07 0.3430116E-08 0.7669884E-08 0.0000000E+00 18 Hg++ 0.4000000E-08 0.2297843E-10 0.0000000E+00 0.3977022E-08 19 F- 0.2439100E-03 0.2438567E-03 0.0000000E+00 0.5327546E-07 Chg. balance for solid moles: 0.3509E-16 Mass of aqueous solution: 0.813374E+03 g Temperature = 202.00 C Pressure = 16.20 bar Mixer frac. = 0.0000000 Log Log Vol Gas or mineral Moles Moles Grams Grams Wt.% (cm3) H2O,gas 10.67 1.028 192.3 2.284 96.00 0.2350E+05 CO2,gas 0.1767 -0.753 7.775 0.891 3.882 445.9 CH4,gas 0.2854E-02 -2.545 0.4578E-01 -1.339 0.2286E-01 7.593 H2,gas 0.5585E-02 -2.253 0.1128E-01 -1.948 0.5634E-02 13.71 H2S,gas 0.5142E-02 -2.289 0.1753 -0.756 0.8751E-01 12.15 CO,gas 0.4568E-06 -6.340 0.1280E-04 -4.893 0.6389E-05 0.1114E-02 SO2,gas 0.4008E-13 -13.397 0.2568E-11 -11.590 0.1282E-11 0.9774E-10 HF,gas 0.5328E-07 -7.273 0.1066E-05 -5.972 0.5321E-06 0.1299E-03 HCl,gas 0.3406E-09 -9.468 0.1242E-07 -7.906 0.6201E-08 0.8305E-06 Hg,gas 0.3977E-08 -8.400 0.7978E-06 -6.098 0.3984E-06 0.9697E-05 clinochlore 0.2758E-07 -7.559 0.1533E-04 -4.814 0.5734E-02 0.5831E-05 daphnite 0.3531E-09 -9.452 0.2519E-06 -6.599 0.9424E-04 0.7635E-07 chlorite-Mn 0.5261E-11 -11.279 0.3730E-08 -8.428 0.1395E-05 0.1189E-08 microcline 0.6740E-06 -6.171 0.1876E-03 -3.727 0.7017E-01 0.7328E-04 quartz 0.4446E-02 -2.352 0.2671 -0.573 99.92 0.1009 bornite 0.6021E-08 -8.220 0.3021E-05 -5.520 0.1130E-02 0.5944E-06 galena 0.7670E-08 -8.115 0.1835E-05 -5.736 0.6864E-03 0.2415E-06 Partial press. Fugacity coef Log fugacity Gas or Mineral Mole fraction or activity Activity coef Log activity H2O,gas 0.9825E+00 0.1592E+02 0.9126 1.162 CO2,gas 0.1626E-01 0.2634E+00 1.0177 -0.572 CH4,gas 0.2627E-03 0.4256E-02 1.0842 -2.336 H2,gas 0.5140E-03 0.8329E-02 1.0068 -2.076 H2S,gas 0.4733E-03 0.7668E-02 0.9689 -2.129 CO,gas 0.4204E-07 0.6812E-06 1.0000 -6.167 SO2,gas 0.3689E-14 0.5977E-13 1.0000 -13.223 HF,gas 0.4903E-08 0.7944E-07 1.0000 -7.100 HCl,gas 0.3135E-10 0.5079E-09 1.0000 -9.294 Hg,gas 0.3660E-09 0.5931E-08 1.0000 -8.227 clinochlore 0.9872E+00 0.9872E+00 1.0000 -0.006 daphnite 0.1264E-01 0.1264E-01 1.0000 -1.898 chlorite-Mn 0.1883E-03 0.1883E-03 1.0000 -3.725 microcline 0.1000E+01 0.1000E+01 1.0000 0.000 quartz 0.1000E+01 0.1000E+01 1.0000 0.000 bornite 0.1000E+01 0.1000E+01 1.0000 0.000 galena 0.1000E+01 0.1000E+01 1.0000 0.000 Current weight percent of gas: 19.751447 % Solid products produced: Mass = 0.267348 g Volume = 0.100964 cm3 WARNING: mineral volume may be in error because some mineral densities were not supplied in SOLTHERM. See mineral list in file Skip_Species.txt. NON-Ideal mixing with H2O, CO2, CH4 Gases ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ The following gases and minerals are presently in matrix or were just added Gas or Mineral Log K Log Q Log(Q/K) Log(Q/K)/S Affinity Log Fugacity 1 H2O,gas 0.05 0.05 -0.00 -0.000 0.10163E-08 2 CO2,gas -8.02 -8.02 0.00 0.000 -0.37077E-09 3 CH4,gas 4.30 4.30 0.00 0.000 -0.95782E-09 4 H2,gas 5.92 5.92 0.00 0.000 -0.71450E-10 5 H2S,gas -7.13 -7.13 -0.00 -0.000 0.32828E-09 6 CO,gas 0.21 0.21 -0.00 -0.000 0.96554E-12 7 SO2,gas -3.95 -3.95 -0.00 -0.000 0.77243E-11 8 HF,gas -2.39 -2.39 -0.00 -0.000 0.28966E-11 9 HCl,gas 1.91 1.91 -0.00 -0.000 0.67588E-11 10 Hg,gas -9.90 -9.90 0.00 0.000 -0.15449E-10 43 clinochlore 21.77 21.77 0.00 0.000 -0.23173E-10 44 daphnite 13.52 13.52 0.00 0.000 0.00000E+00 45 chlorite-Mn 29.90 29.90 0.00 0.000 -0.23173E-10 115 microcline -4.23 -4.23 0.00 0.000 -0.38622E-11 146 quartz -2.39 -2.39 0.00 0.000 0.00000E+00 198 bornite -72.59 -72.59 0.00 0.000 0.00000E+00 249 galena -10.41 -10.41 0.00 0.000 0.00000E+00 The following gases and minerals are presently EXCLUDED from matrix (Gases and minerals with log(Q/K) less than -5 are not listed below) Gas or Mineral Log K Log Q Log(Q/K) Log(Q/K)/S Affinity Log Fugacity 11 acmite 5.65 2.24 -3.41 -0.355 0.74207E+04 15 albite-high -2.20 -3.35 -1.14 -0.088 0.24882E+04 16 albite -2.86 -3.35 -0.49 -0.038 0.10630E+04 20 analcite 0.25 -0.96 -1.21 -0.134 0.26213E+04 21 andalusite -2.19 -5.65 -3.46 -0.346 0.75209E+04 22 andradite 27.52 23.00 -4.52 -0.235 0.98305E+04 23 grossular 18.97 16.60 -2.37 -0.118 0.51483E+04 24 anhydrite -7.31 -12.02 -4.71 -2.355 0.10241E+05 25 ankerite -4.70 -7.71 -3.01 -0.502 0.65449E+04 27 phlogopite 16.52 15.06 -1.46 -0.081 0.31652E+04 29 anorthite 3.18 0.97 -2.21 -0.170 0.47967E+04 32 aragonite -0.44 -0.80 -0.36 -0.120 0.78065E+03 33 brucite 9.36 6.43 -2.93 -0.586 0.63663E+04 34 calcite -0.59 -0.80 -0.21 -0.068 0.44599E+03 35 carnegieite-low 4.67 1.43 -3.24 -0.463 0.70431E+04 36 carnegieite-high 5.33 1.43 -3.90 -0.558 0.84884E+04 37 carpholite-Mg 0.75 -1.60 -2.35 -0.157 0.51170E+04 38 carpholite-Fe -0.78 -5.14 -4.36 -0.291 0.94843E+04 39 celadonite 1.68 -0.19 -1.87 -0.110 0.40712E+04 40 celadonite-Fe 0.36 -3.73 -4.10 -0.241 0.89063E+04 41 chrysotile 16.85 14.52 -2.33 -0.194 0.50574E+04 46 chlorite-Al-free 33.31 29.04 -4.27 -0.178 0.92911E+04 47 chloritoid-Mg 3.91 0.79 -3.12 -0.208 0.67936E+04 48 chloritoid-Fe 0.80 -2.76 -3.56 -0.237 0.77414E+04 49 chloritoid-Mn 3.02 -1.31 -4.32 -0.288 0.93978E+04 51 coesite -1.89 -2.39 -0.50 -0.167 0.10875E+04 56 corundum 0.51 -3.26 -3.77 -0.343 0.82008E+04 58 cristobalite -2.12 -2.39 -0.26 -0.088 0.57532E+03 61 cymrite-K -0.81 -4.23 -3.42 -0.285 0.74421E+04 63 diaspore -0.40 -1.63 -1.23 -0.205 0.26790E+04 64 diamond -2.10 -4.53 -2.42 -0.693 0.52720E+04 65 diopside 11.35 10.66 -0.69 -0.069 0.14959E+04 66 hedenbergite 9.72 7.12 -2.59 -0.259 0.56417E+04 67 dolomite,ordered -2.51 -4.17 -1.66 -0.276 0.36025E+04 68 eastonite 12.52 7.75 -4.76 -0.183 0.10351E+05 69 enstatite 11.51 8.09 -3.42 -0.342 0.74279E+04 70 clinoenstatite-HiP 12.37 8.09 -4.28 -0.428 0.93074E+04 71 clinoenstatite 11.43 8.09 -3.34 -0.334 0.72656E+04 72 protoenstatite 11.89 8.09 -3.80 -0.380 0.82701E+04 73 epidote 11.70 9.16 -2.53 -0.123 0.55052E+04 74 clinozoisite 8.27 5.96 -2.31 -0.105 0.50236E+04 78 forsterite 14.45 10.48 -3.98 -0.568 0.86477E+04 81 gibbsite 0.90 -1.63 -2.53 -0.362 0.55043E+04 82 glaucophane 11.33 7.83 -3.50 -0.095 0.76173E+04 84 goethite 4.21 1.57 -2.64 -0.571 0.57380E+04 85 graphite -2.50 -4.53 -2.03 -0.580 0.44149E+04 88 halite 1.22 -3.15 -4.38 -2.188 0.95153E+04 89 hematite 7.70 3.14 -4.56 -0.553 0.99133E+04 90 heulandite -10.40 -10.96 -0.56 -0.026 0.12205E+04 94 jadeite 1.16 -0.96 -2.11 -0.211 0.45982E+04 96 kalsilite 3.69 0.54 -3.15 -0.450 0.68559E+04 97 kaolinite -6.05 -8.03 -1.99 -0.180 0.43166E+04 98 kyanite -2.18 -5.65 -3.47 -0.347 0.75426E+04 100 laumontite -3.05 -3.80 -0.75 -0.050 0.16236E+04 101 lawsonite 2.31 0.97 -1.34 -0.089 0.29087E+04 102 leucite 0.72 -1.85 -2.56 -0.256 0.55742E+04 104 lizardite 16.48 14.52 -1.96 -0.163 0.42609E+04 105 magnesite -1.19 -3.37 -2.18 -0.726 0.47338E+04 108 minnesotaite-Mg 13.71 9.75 -3.96 -0.233 0.86145E+04 112 margarite 1.53 -2.29 -3.81 -0.152 0.82870E+04 116 monticellite 17.71 13.05 -4.66 -0.666 0.10131E+05 119 muscovite -5.72 -7.49 -1.78 -0.105 0.38676E+04 120 paragonite -4.59 -6.61 -2.01 -0.119 0.43806E+04 121 nepheline 4.10 1.43 -2.67 -0.382 0.58147E+04 133 phlogopite-Na 18.28 15.95 -2.33 -0.130 0.50710E+04 135 prehnite 8.85 7.59 -1.25 -0.074 0.27210E+04 136 prehnite-Fe 13.15 10.79 -2.35 -0.142 0.51189E+04 137 pumpellyite-Fe 21.00 16.45 -4.55 -0.101 0.98957E+04 138 pumpellyite-Mg 23.17 19.99 -3.18 -0.071 0.69233E+04 140 px-Ca-tschermaks 8.13 3.36 -4.77 -0.341 0.10377E+05 141 pyrite -19.57 -20.70 -1.12 -0.264 0.24406E+04 142 pyrrhotite -5.27 -7.58 -2.31 -0.770 0.50219E+04 143 pyrrhotiteFe0.875 -6.57 -8.27 -1.70 -0.624 0.36917E+04 144 pyroxmangite 5.17 1.95 -3.22 -0.643 0.69946E+04 145 pyrophyllite -10.41 -12.81 -2.40 -0.150 0.52173E+04 151 rhodochrosite -2.10 -5.46 -3.36 -1.120 0.73052E+04 152 rhodonite 5.19 1.95 -3.24 -0.648 0.70460E+04 153 sanidine -3.28 -4.23 -0.95 -0.073 0.20675E+04 155 siderite -3.81 -6.91 -3.10 -1.033 0.67366E+04 156 sillimanite -2.01 -5.65 -3.63 -0.363 0.79006E+04 163 stilbite -10.01 -10.96 -0.95 -0.045 0.20594E+04 165 stilpnomelane-Mg 12.85 12.08 -0.77 -0.023 0.16759E+04 166 stishovite 2.29 -2.39 -4.68 -1.560 0.10173E+05 169 sulfur -8.67 -13.11 -4.45 -1.368 0.96657E+04 171 talc 10.54 9.75 -0.79 -0.047 0.17189E+04 173 talc-tschermaks 7.37 2.44 -4.93 -0.290 0.10720E+05 178 topaz-H -1.64 -5.65 -4.00 -0.364 0.86992E+04 179 tridymite -2.15 -2.39 -0.23 -0.078 0.50868E+03 180 tremolite 32.38 31.08 -1.30 -0.035 0.28367E+04 182 troilite-low -5.33 -7.58 -2.25 -0.751 0.48969E+04 188 wairakite -3.06 -3.80 -0.74 -0.043 0.16047E+04 189 walstromite 8.63 6.62 -2.01 -0.403 0.43757E+04 190 wollastonite 7.82 6.62 -1.20 -0.240 0.26096E+04 191 pseudo-wollastonite 8.19 6.62 -1.57 -0.314 0.34128E+04 192 zoisite 8.32 5.96 -2.35 -0.107 0.51122E+04 193 beidellite-Ca -7.95 -11.07 -3.12 -0.193 0.67801E+04 194 beidellite-H -8.37 -12.56 -4.18 -0.267 0.90987E+04 195 beidellite-K -7.46 -11.05 -3.59 -0.220 0.78125E+04 196 beidellite-Mg -8.17 -11.49 -3.33 -0.206 0.72318E+04 197 beidellite-Na -7.38 -10.76 -3.38 -0.207 0.73395E+04 200 chalcedony -2.24 -2.39 -0.15 -0.049 0.32049E+03 201 chalcocite -22.02 -23.38 -1.36 -0.341 0.29642E+04 202 covellite -16.28 -18.24 -1.96 -0.747 0.42614E+04 204 montmorillonite-Ca -6.81 -8.66 -1.85 -0.114 0.40175E+04 205 montmorillonite-K -6.43 -8.64 -2.22 -0.136 0.48197E+04 206 montmorillonite-Mg -7.06 -9.08 -2.03 -0.125 0.44069E+04 207 montmorillonite-Na -6.28 -8.35 -2.06 -0.126 0.44882E+04 209 nontronite-Ca -0.21 -4.67 -4.46 -0.289 0.96927E+04 211 nontronite-K 0.28 -4.65 -4.93 -0.317 0.10725E+05 212 nontronite-Mg -0.43 -5.09 -4.67 -0.303 0.10151E+05 213 nontronite-Na 0.36 -4.36 -4.72 -0.303 0.10254E+05 229 tobermorite 8.56 5.12 -3.44 -0.939 0.74790E+04 235 alabandite -2.40 -6.13 -3.73 -1.244 0.81156E+04 240 boehmite 0.63 -1.63 -2.26 -0.376 0.49035E+04 242 chalcopyrite -25.04 -25.83 -0.79 -0.148 0.17250E+04 245 copper,native -1.52 -5.13 -3.62 -1.258 0.78660E+04 246 dolomite,disordered -2.09 -4.17 -2.08 -0.346 0.45147E+04 247 ferrous-oxide 6.57 2.89 -3.69 -0.921 0.80130E+04 248 fluorite -10.81 -12.39 -1.58 -0.528 0.34432E+04 257 silica-amorphous -1.78 -2.39 -0.61 -0.203 0.13273E+04 260 sphalerite -9.98 -10.20 -0.22 -0.072 0.46883E+03 261 wurtzite -8.55 -10.20 -1.65 -0.551 0.35928E+04 263 an20ab80 -1.87 -2.48 -0.61 -0.047 0.13371E+04 264 an25ab75 -1.59 -2.27 -0.67 -0.052 0.14659E+04 265 an30ab70 -1.31 -2.05 -0.74 -0.057 0.16057E+04 266 tr.625ac.25prg.125 28.62 26.51 -2.11 -0.057 0.45881E+04 271 FeS-amorphous -3.79 -7.58 -3.79 -1.263 0.82411E+04 Calculations done for 202.0000 Deg. C; 16.2021 bar Enthalpies: Pure water 3.7180 kcal/mole H2O,gas 12.0614 kcal/mole CO2,gas 2.3542 kcal/mole CH4,gas 2.2842 kcal/mole Current solution 167.3555 Gas 129.1750 kcal Total current enthalpy 296.5306 kcal Starting enthalpy 296.5306 kcal Temperature changed by -2.000 degrees to 200.000 degrees C. Solids and gases carried ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ Test file for CHIM-XPT. Boil Broadlands Water Water similar to Broadlands Well No. 2 CHIMRUN demo-2a ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ Number of loops used = 11 Loop limit = 200 Temperature = 200.00 C Pressure = 15.53 bar Mixer fraction = 0.0000000 Total current enthalpy = 296.5306 KCAL Water: Moles liquid = 0.4480E+02 kg liquid = 0.8071E+00 Moles total = 0.5551E+02 kg total = 0.1000E+01 Activity = 1.0000 Stoichiometric ionic strength = .4249287E-01 Osmotic coef. = 0.9157 True ionic strength = .4043420E-01 Chg. balance for total moles = 0.2402E-07 Max. difference allowed = 0.3072E-05 Log Log Log Species(n) Molality Molality Activity Activity Gamma Gamma 1 H+ 0.12314E-06 -6.9096 0.91474E-07 -7.0387 0.74287E+00 -0.1291 2 H2O 0.99996E+00 -0.0000 0.99996E+00 -0.0000 3 Cl- 0.37155E-01 -1.4300 0.27260E-01 -1.5645 0.73367E+00 -0.1345 4 SO4-- 0.36858E-06 -6.4335 0.11608E-06 -6.9352 0.31494E+00 -0.5018 5 HCO3- 0.23008E-02 -2.6381 0.16970E-02 -2.7703 0.73758E+00 -0.1322 6 HS- 0.48635E-03 -3.3130 0.35702E-03 -3.4473 0.73408E+00 -0.1343 7 H4SiO4 0.40176E-02 -2.3960 0.40176E-02 -2.3960 0.10000E+01 0.0000 8 Al+++ 0.27209E-21 -21.5653 0.19874E-22 -22.7017 0.73043E-01 -1.1364 9 Ca++ 0.29659E-04 -4.5278 0.91495E-05 -5.0386 0.30849E+00 -0.5108 10 Mg++ 0.82149E-07 -7.0854 0.24959E-07 -7.6028 0.30382E+00 -0.5174 11 Fe++ 0.20919E-10 -10.6795 0.63795E-11 -11.1952 0.30496E+00 -0.5158 12 K+ 0.45871E-02 -2.3385 0.33880E-02 -2.4701 0.73858E+00 -0.1316 13 Na+ 0.35742E-01 -1.4468 0.26228E-01 -1.5812 0.73380E+00 -0.1344 14 Mn++ 0.65230E-09 -9.1856 0.19948E-09 -9.7001 0.30582E+00 -0.5145 15 Zn++ 0.59065E-13 -13.2287 0.18013E-13 -13.7444 0.30496E+00 -0.5158 16 Cu+ 0.40638E-13 -13.3911 0.29815E-13 -13.5256 0.73366E+00 -0.1345 17 Pb++ 0.30711E-13 -13.5127 0.95632E-14 -14.0194 0.31140E+00 -0.5067 18 Hg++ 0.25478E-35 -35.5938 0.78985E-36 -36.1025 0.31002E+00 -0.5086 19 F- 0.29479E-03 -3.5305 0.21421E-03 -3.6692 0.72666E+00 -0.1387 21 HSiO3- 0.79283E-04 -4.1008 0.58168E-04 -4.2353 0.73367E+00 -0.1345 22 Ca(HSiO3)+ 0.12658E-06 -6.8976 0.93558E-07 -7.0289 0.73910E+00 -0.1313 23 Mg(HSiO3)+ 0.28920E-09 -9.5388 0.21375E-09 -9.6701 0.73910E+00 -0.1313 24 NaHSiO3,aq 0.16012E-04 -4.7956 0.16012E-04 -4.7956 0.10000E+01 0.0000 27 HAlO2,aq 0.59341E-08 -8.2266 0.59341E-08 -8.2266 0.10000E+01 0.0000 28 AlO2- 0.17868E-05 -5.7479 0.13003E-05 -5.8859 0.72774E+00 -0.1380 29 CH4,aq 0.56928E-05 -5.2447 0.56185E-05 -5.2504 0.98694E+00 -0.0057 34 CO,aq 0.95867E-09 -9.0183 0.95867E-09 -9.0183 0.10000E+01 0.0000 35 CO2,aq 0.20593E-02 -2.6863 0.20324E-02 -2.6920 0.98694E+00 -0.0057 36 CO3-2 0.20324E-05 -5.6920 0.63591E-06 -6.1966 0.31288E+00 -0.5046 37 CaCO3,aq 0.14886E-05 -5.8272 0.14886E-05 -5.8272 0.10000E+01 0.0000 38 Ca(HCO3)+ 0.50744E-05 -5.2946 0.37505E-05 -5.4259 0.73910E+00 -0.1313 39 CaCl+ 0.56913E-05 -5.2448 0.42064E-05 -5.3761 0.73910E+00 -0.1313 40 CaCl2,aq 0.47471E-07 -7.3236 0.47471E-07 -7.3236 0.10000E+01 0.0000 41 CaF+ 0.43706E-06 -6.3595 0.32303E-06 -6.4908 0.73910E+00 -0.1313 42 CaOH+ 0.15973E-05 -5.7966 0.11805E-05 -5.9279 0.73910E+00 -0.1313 43 CaSO4,aq 0.28784E-08 -8.5408 0.28784E-08 -8.5408 0.10000E+01 0.0000 44 HCl,aq 0.17981E-08 -8.7452 0.17981E-08 -8.7452 0.10000E+01 0.0000 61 HF,aq 0.14163E-05 -5.8489 0.14163E-05 -5.8489 0.10000E+01 0.0000 62 HF2- 0.13536E-09 -9.8685 0.99308E-10 -10.0030 0.73367E+00 -0.1345 69 FeO,aq 0.59590E-10 -10.2248 0.59590E-10 -10.2248 0.10000E+01 0.0000 70 FeOH+ 0.10784E-09 -9.9672 0.79702E-10 -10.0985 0.73910E+00 -0.1313 71 HFeO2- 0.30224E-10 -10.5196 0.22175E-10 -10.6541 0.73367E+00 -0.1345 74 FeO2- 0.22006E-10 -10.6575 0.16145E-10 -10.7920 0.73367E+00 -0.1345 76 H2,aq 0.12256E-04 -4.9116 0.12096E-04 -4.9174 0.98694E+00 -0.0057 77 Hg,aq 0.25959E-10 -10.5857 0.25621E-10 -10.5914 0.98694E+00 -0.0057 90 KCl,aq 0.15152E-04 -4.8195 0.15152E-04 -4.8195 0.10000E+01 0.0000 92 KOH,aq 0.38961E-06 -6.4094 0.38961E-06 -6.4094 0.10000E+01 0.0000 93 KSO4- 0.44688E-07 -7.3498 0.32787E-07 -7.4843 0.73367E+00 -0.1345 94 MgCO3,aq 0.56835E-09 -9.2454 0.56835E-09 -9.2454 0.10000E+01 0.0000 95 Mg(HCO3)+ 0.13403E-07 -7.8728 0.99063E-08 -8.0041 0.73910E+00 -0.1313 96 MgCl+ 0.90372E-08 -8.0440 0.66794E-08 -8.1753 0.73910E+00 -0.1313 97 MgF+ 0.35511E-08 -8.4496 0.26246E-08 -8.5809 0.73910E+00 -0.1313 98 MgOH+ 0.14969E-07 -7.8248 0.11064E-07 -7.9561 0.73910E+00 -0.1313 101 MnO,aq 0.56792E-10 -10.2457 0.56792E-10 -10.2457 0.10000E+01 0.0000 102 MnOH+ 0.45382E-09 -9.3431 0.33542E-09 -9.4744 0.73910E+00 -0.1313 107 MnCl+ 0.11265E-08 -8.9483 0.83258E-09 -9.0796 0.73910E+00 -0.1313 109 NaCl,aq 0.88568E-03 -3.0527 0.88568E-03 -3.0527 0.10000E+01 0.0000 110 NaF,aq 0.54904E-05 -5.2604 0.54904E-05 -5.2604 0.10000E+01 0.0000 111 NaOH,aq 0.21254E-05 -5.6726 0.21254E-05 -5.6726 0.10000E+01 0.0000 113 OH- 0.78110E-04 -4.1073 0.56844E-04 -4.2453 0.72774E+00 -0.1380 124 Pb(HS)2,aq 0.34994E-08 -8.4560 0.34994E-08 -8.4560 0.10000E+01 0.0000 125 Pb(HS)3- 0.39737E-10 -10.4008 0.29154E-10 -10.5353 0.73367E+00 -0.1345 126 H2S,aq 0.20879E-03 -3.6803 0.20606E-03 -3.6860 0.98694E+00 -0.0057 127 S2-2 0.11256E-09 -9.9486 0.35217E-10 -10.4533 0.31288E+00 -0.5046 135 HSO4- 0.42092E-09 -9.3758 0.31193E-09 -9.5059 0.74105E+00 -0.1302 153 ZnO,aq 0.19407E-10 -10.7120 0.19407E-10 -10.7120 0.10000E+01 0.0000 154 ZnOH+ 0.24635E-09 -9.6084 0.18208E-09 -9.7397 0.73910E+00 -0.1313 164 Cu(HS)2- 0.38399E-07 -7.4157 0.28172E-07 -7.5502 0.73367E+00 -0.1345 166 CuH4S3-b 0.15788E-09 -9.8017 0.11583E-09 -9.9362 0.73367E+00 -0.1345 179 MgSO4,aq 0.28972E-10 -10.5380 0.28972E-10 -10.5380 0.10000E+01 0.0000 180 MnCl2,aq 0.28245E-09 -9.5491 0.28245E-09 -9.5491 0.10000E+01 0.0000 181 MnCl3- 0.45810E-10 -10.3390 0.33609E-10 -10.4735 0.73367E+00 -0.1345 182 MnCO3,aq 0.73841E-09 -9.1317 0.73841E-09 -9.1317 0.10000E+01 0.0000 183 NaCO3- 0.98096E-06 -6.0083 0.71970E-06 -6.1428 0.73367E+00 -0.1345 184 NaHCO3,aq 0.51104E-04 -4.2915 0.51104E-04 -4.2915 0.10000E+01 0.0000 185 NaHS,aq 0.10751E-04 -4.9685 0.10751E-04 -4.9685 0.10000E+01 0.0000 186 NaSO4- 0.95063E-07 -7.0220 0.69745E-07 -7.1565 0.73367E+00 -0.1345 187 PbCO3,aq 0.30832E-09 -9.5110 0.30832E-09 -9.5110 0.10000E+01 0.0000 188 PbOH+ 0.23474E-10 -10.6294 0.17349E-10 -10.7607 0.73910E+00 -0.1313 193 Zn(HS)2,aq 0.18238E-07 -7.7390 0.18238E-07 -7.7390 0.10000E+01 0.0000 194 Zn(HS)3- 0.44480E-09 -9.3518 0.32634E-09 -9.4863 0.73367E+00 -0.1345 Charge balance for all species = 0.2976E-07 Component Molality Aq.molality ppm log[A(N)/A(H+)**Z] (total) 1 H+ 0.1231364E-06 0.2077224E-02 0.2087388E+01 0.0000 2 H2O 0.1000000E+01 0.5550620E+02 0.9969379E+06 0.0000 3 Cl- 0.3715493E-01 0.3806157E-01 0.1345317E+04 5.4742 4 SO4-- 0.3685762E-06 -.8245348E-05 -.7896669E+00 7.1422 5 HCO3- 0.2300830E-02 0.4426507E-02 0.2692766E+03 4.2684 6 HS- 0.4863513E-03 0.7147688E-03 0.2356737E+02 3.5914 7 H4SiO4 0.4017577E-02 0.4112999E-02 0.3941275E+03 -2.3960 8 Al+++ 0.2720892E-21 0.1792761E-05 0.4822514E-01 -1.5856 9 Ca++ 0.2965930E-04 0.4412491E-04 0.1763092E+01 9.0388 10 Mg++ 0.8214883E-07 0.1239962E-06 0.3005483E-02 6.4746 11 Fe++ 0.2091898E-10 0.2538768E-09 0.1413539E-04 2.8822 12 K+ 0.4587148E-02 0.4602734E-02 0.1794320E+03 4.5686 13 Na+ 0.3574235E-01 0.3671459E-01 0.8415095E+03 5.4575 14 Mn++ 0.6522999E-09 0.3363626E-08 0.1842322E-03 4.3773 15 Zn++ 0.5906519E-13 0.1895634E-07 0.1235430E-02 0.3330 16 Cu+ 0.4063799E-13 0.3856657E-07 0.2443112E-02 -6.4869 17 Pb++ 0.3071060E-13 0.3878315E-08 0.8011190E-03 0.0580 18 Hg++ 0.2547767E-35 0.2628537E-10 0.5256643E-05 -22.0251 19 F- 0.2947887E-03 0.3021362E-03 0.5722632E+01 3.3695 Component Tot moles Aq. moles Solid moles Gas moles 1 H+ 0.1822172E+00 0.1676564E-02 -.3472077E-05 0.1805441E+00 2 H2O 0.5550825E+02 0.4480004E+02 -.9069513E-02 0.1071728E+02 3 Cl- 0.3072017E-01 0.3072017E-01 0.0000000E+00 0.3176722E-09 4 SO4-- -.4257700E-02 -.6654967E-05 0.7811584E-09 -.4251046E-02 5 HCO3- 0.1832100E+00 0.3572713E-02 0.0000000E+00 0.1796373E+00 6 HS- 0.9985820E-02 0.5769026E-03 0.3218565E-07 0.9408885E-02 7 H4SiO4 0.7855346E-02 0.3319675E-02 0.4535671E-02 0.0000000E+00 8 Al+++ 0.2253680E-05 0.1446969E-05 0.8067112E-06 0.0000000E+00 9 Ca++ 0.3561400E-04 0.3561400E-04 0.0000000E+00 0.0000000E+00 10 Mg++ 0.2355503E-06 0.1000795E-06 0.1354707E-06 0.0000000E+00 11 Fe++ 0.8017372E-08 0.2049084E-09 0.7812464E-08 0.0000000E+00 12 K+ 0.3715700E-02 0.3714948E-02 0.7518874E-06 0.0000000E+00 13 Na+ 0.2963300E-01 0.2963300E-01 0.0000000E+00 0.0000000E+00 14 Mn++ 0.2740424E-08 0.2714842E-08 0.2558180E-10 0.0000000E+00 15 Zn++ 0.1530000E-07 0.1530000E-07 0.0000000E+00 0.0000000E+00 16 Cu+ 0.6237410E-07 0.3112776E-07 0.3124634E-07 0.0000000E+00 17 Pb++ 0.1110000E-07 0.3130257E-08 0.7969743E-08 0.0000000E+00 18 Hg++ 0.4000000E-08 0.2121539E-10 0.0000000E+00 0.3978785E-08 19 F- 0.2439100E-03 0.2438595E-03 0.0000000E+00 0.5050147E-07 Chg. balance for solid moles: -.1049E-16 Mass of aqueous solution: 0.809565E+03 g Temperature = 200.00 C Pressure = 15.53 bar Mixer frac. = 0.0000000 Log Log Vol Gas or mineral Moles Moles Grams Grams Wt.% (cm3) H2O,gas 10.89 1.037 196.1 2.292 96.07 0.2497E+05 CO2,gas 0.1768 -0.753 7.780 0.891 3.812 463.2 CH4,gas 0.2861E-02 -2.543 0.4589E-01 -1.338 0.2249E-01 7.888 H2,gas 0.5559E-02 -2.255 0.1123E-01 -1.950 0.5502E-02 14.17 H2S,gas 0.5158E-02 -2.288 0.1758 -0.755 0.8614E-01 12.67 CO,gas 0.4264E-06 -6.370 0.1194E-04 -4.923 0.5853E-05 0.1080E-02 SO2,gas 0.3616E-13 -13.442 0.2316E-11 -11.635 0.1135E-11 0.9158E-10 HF,gas 0.5050E-07 -7.297 0.1010E-05 -5.996 0.4950E-06 0.1279E-03 HCl,gas 0.3177E-09 -9.498 0.1158E-07 -7.936 0.5676E-08 0.8046E-06 Hg,gas 0.3979E-08 -8.400 0.7981E-06 -6.098 0.3911E-06 0.1008E-04 clinochlore 0.2709E-07 -7.567 0.1506E-04 -4.822 0.5525E-02 0.5728E-05 daphnite 0.3126E-09 -9.505 0.2231E-06 -6.652 0.8183E-04 0.6760E-07 chlorite-Mn 0.5116E-11 -11.291 0.3627E-08 -8.440 0.1331E-05 0.1156E-08 microcline 0.7519E-06 -6.124 0.2093E-03 -3.679 0.7677E-01 0.8175E-04 quartz 0.4533E-02 -2.344 0.2724 -0.565 99.92 0.1029 bornite 0.6249E-08 -8.204 0.3136E-05 -5.504 0.1150E-02 0.6169E-06 galena 0.7970E-08 -8.099 0.1907E-05 -5.720 0.6995E-03 0.2510E-06 Partial press. Fugacity coef Log fugacity Gas or Mineral Mole fraction or activity Activity coef Log activity H2O,gas 0.9828E+00 0.1526E+02 0.9147 1.145 CO2,gas 0.1596E-01 0.2479E+00 1.0180 -0.598 CH4,gas 0.2583E-03 0.4012E-02 1.0820 -2.362 H2,gas 0.5019E-03 0.7795E-02 1.0065 -2.105 H2S,gas 0.4657E-03 0.7233E-02 0.9698 -2.154 CO,gas 0.3850E-07 0.5980E-06 1.0000 -6.223 SO2,gas 0.3264E-14 0.5070E-13 1.0000 -13.295 HF,gas 0.4560E-08 0.7082E-07 1.0000 -7.150 HCl,gas 0.2868E-10 0.4455E-09 1.0000 -9.351 Hg,gas 0.3592E-09 0.5579E-08 1.0000 -8.253 clinochlore 0.9884E+00 0.9884E+00 1.0000 -0.005 daphnite 0.1141E-01 0.1141E-01 1.0000 -1.943 chlorite-Mn 0.1866E-03 0.1866E-03 1.0000 -3.729 microcline 0.1000E+01 0.1000E+01 1.0000 0.000 quartz 0.1000E+01 0.1000E+01 1.0000 0.000 bornite 0.1000E+01 0.1000E+01 1.0000 0.000 galena 0.1000E+01 0.1000E+01 1.0000 0.000 Current weight percent of gas: 20.126543 % Solid products produced: Mass = 0.272592 g Volume = 0.102944 cm3 WARNING: mineral volume may be in error because some mineral densities were not supplied in SOLTHERM. See mineral list in file Skip_Species.txt. NON-Ideal mixing with H2O, CO2, CH4 Gases ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ The following gases and minerals are presently in matrix or were just added Gas or Mineral Log K Log Q Log(Q/K) Log(Q/K)/S Affinity Log Fugacity 1 H2O,gas 0.05 0.05 -0.00 -0.000 0.76471E-09 2 CO2,gas -8.02 -8.02 0.00 0.000 -0.28075E-09 3 CH4,gas 4.27 4.27 0.00 0.000 -0.71534E-09 4 H2,gas 5.93 5.93 0.00 0.000 -0.51920E-10 5 H2S,gas -7.14 -7.14 -0.00 -0.000 0.24806E-09 6 CO,gas 0.24 0.24 -0.00 -0.000 0.33652E-11 7 SO2,gas -3.89 -3.89 0.00 0.000 -0.57689E-11 8 HF,gas -2.37 -2.37 -0.00 -0.000 0.28844E-11 9 HCl,gas 1.94 1.94 -0.00 -0.000 0.33652E-11 10 Hg,gas -9.95 -9.95 0.00 0.000 -0.38459E-11 43 clinochlore 22.04 22.04 -0.00 -0.000 0.30767E-10 44 daphnite 13.77 13.77 -0.00 -0.000 0.38459E-11 45 chlorite-Mn 30.17 30.17 0.00 0.000 -0.15384E-10 115 microcline -4.21 -4.20 0.00 0.000 -0.38459E-11 146 quartz -2.40 -2.40 0.00 0.000 0.00000E+00 198 bornite -72.81 -72.81 0.00 0.000 0.00000E+00 249 galena -10.43 -10.43 -0.00 -0.000 0.38459E-11 The following gases and minerals are presently EXCLUDED from matrix (Gases and minerals with log(Q/K) less than -5 are not listed below) Gas or Mineral Log K Log Q Log(Q/K) Log(Q/K)/S Affinity Log Fugacity 11 acmite 5.69 2.23 -3.45 -0.359 0.74785E+04 15 albite-high -2.15 -3.32 -1.16 -0.089 0.25140E+04 16 albite -2.82 -3.32 -0.50 -0.038 0.10808E+04 20 analcite 0.29 -0.92 -1.22 -0.135 0.26310E+04 21 andalusite -2.07 -5.57 -3.50 -0.350 0.75739E+04 22 andradite 27.71 23.06 -4.64 -0.241 0.10057E+05 23 grossular 19.19 16.76 -2.43 -0.122 0.52696E+04 24 anhydrite -7.26 -11.97 -4.71 -2.355 0.10197E+05 25 ankerite -4.64 -7.70 -3.05 -0.509 0.66078E+04 27 phlogopite 16.68 15.22 -1.46 -0.081 0.31679E+04 29 anorthite 3.33 1.08 -2.26 -0.174 0.48919E+04 32 aragonite -0.41 -0.77 -0.36 -0.121 0.78421E+03 33 brucite 9.41 6.47 -2.93 -0.587 0.63532E+04 34 calcite -0.56 -0.77 -0.21 -0.069 0.45079E+03 35 carnegieite-low 4.74 1.48 -3.26 -0.466 0.70585E+04 36 carnegieite-high 5.41 1.48 -3.93 -0.562 0.85112E+04 37 carpholite-Mg 0.88 -1.49 -2.37 -0.158 0.51262E+04 38 carpholite-Fe -0.66 -5.08 -4.42 -0.295 0.95742E+04 39 celadonite 1.74 -0.13 -1.87 -0.110 0.40452E+04 40 celadonite-Fe 0.42 -3.72 -4.14 -0.244 0.89652E+04 41 chrysotile 16.96 14.63 -2.32 -0.194 0.50321E+04 46 chlorite-Al-free 33.53 29.26 -4.27 -0.178 0.92349E+04 47 chloritoid-Mg 4.06 0.91 -3.15 -0.210 0.68257E+04 48 chloritoid-Fe 0.94 -2.69 -3.63 -0.242 0.78486E+04 49 chloritoid-Mn 3.15 -1.19 -4.34 -0.289 0.94007E+04 51 coesite -1.89 -2.40 -0.50 -0.167 0.10869E+04 56 corundum 0.64 -3.17 -3.81 -0.347 0.82538E+04 58 cristobalite -2.13 -2.40 -0.27 -0.089 0.57807E+03 61 cymrite-K -0.77 -4.21 -3.43 -0.286 0.74348E+04 63 diaspore -0.34 -1.59 -1.24 -0.207 0.26882E+04 64 diamond -2.11 -4.55 -2.43 -0.695 0.52647E+04 65 diopside 11.43 10.72 -0.71 -0.071 0.15320E+04 66 hedenbergite 9.79 7.13 -2.66 -0.266 0.57592E+04 67 dolomite,ordered -2.45 -4.10 -1.66 -0.276 0.35845E+04 68 eastonite 12.77 7.97 -4.80 -0.185 0.10401E+05 69 enstatite 11.60 8.16 -3.44 -0.344 0.74452E+04 70 clinoenstatite-HiP 12.46 8.16 -4.31 -0.431 0.93244E+04 71 clinoenstatite 11.52 8.16 -3.36 -0.336 0.72828E+04 72 protoenstatite 11.99 8.16 -3.83 -0.383 0.82895E+04 73 epidote 11.91 9.28 -2.62 -0.127 0.56776E+04 74 clinozoisite 8.51 6.13 -2.38 -0.108 0.51493E+04 78 forsterite 14.56 10.55 -4.00 -0.572 0.86663E+04 81 gibbsite 0.95 -1.59 -2.54 -0.363 0.54963E+04 82 glaucophane 11.52 8.00 -3.52 -0.095 0.76157E+04 84 goethite 4.25 1.57 -2.68 -0.579 0.57995E+04 85 graphite -2.51 -4.55 -2.04 -0.582 0.44095E+04 88 halite 1.24 -3.15 -4.38 -2.190 0.94845E+04 89 hematite 7.78 3.13 -4.65 -0.563 0.10060E+05 90 heulandite -10.32 -10.90 -0.58 -0.026 0.12570E+04 94 jadeite 1.21 -0.92 -2.13 -0.213 0.46011E+04 96 kalsilite 3.75 0.59 -3.17 -0.453 0.68589E+04 97 kaolinite -5.97 -7.96 -1.99 -0.181 0.43156E+04 98 kyanite -2.06 -5.57 -3.51 -0.351 0.75913E+04 100 laumontite -2.96 -3.72 -0.76 -0.051 0.16467E+04 101 lawsonite 2.43 1.08 -1.36 -0.090 0.29348E+04 102 leucite 0.77 -1.81 -2.58 -0.258 0.55858E+04 104 lizardite 16.59 14.63 -1.95 -0.163 0.42288E+04 105 magnesite -1.16 -3.33 -2.18 -0.725 0.47120E+04 108 minnesotaite-Mg 13.82 9.84 -3.98 -0.234 0.86109E+04 112 margarite 1.78 -2.10 -3.88 -0.155 0.83999E+04 116 monticellite 17.82 13.12 -4.70 -0.671 0.10171E+05 119 muscovite -5.58 -7.38 -1.80 -0.106 0.38934E+04 120 paragonite -4.45 -6.49 -2.04 -0.120 0.44199E+04 121 nepheline 4.17 1.48 -2.69 -0.385 0.58309E+04 133 phlogopite-Na 18.46 16.11 -2.35 -0.131 0.50909E+04 135 prehnite 9.02 7.72 -1.30 -0.076 0.28097E+04 136 prehnite-Fe 13.30 10.87 -2.43 -0.146 0.52584E+04 137 pumpellyite-Fe 21.41 16.73 -4.68 -0.104 0.10124E+05 138 pumpellyite-Mg 23.59 20.33 -3.27 -0.073 0.70722E+04 140 px-Ca-tschermaks 8.30 3.47 -4.83 -0.345 0.10460E+05 141 pyrite -19.58 -20.72 -1.14 -0.268 0.24648E+04 142 pyrrhotite -5.25 -7.60 -2.35 -0.784 0.50940E+04 143 pyrrhotiteFe0.875 -6.56 -8.29 -1.73 -0.637 0.37508E+04 144 pyroxmangite 5.21 1.98 -3.22 -0.645 0.69795E+04 145 pyrophyllite -10.34 -12.76 -2.42 -0.151 0.52401E+04 151 rhodochrosite -2.08 -5.43 -3.35 -1.118 0.72588E+04 152 rhodonite 5.23 1.98 -3.25 -0.650 0.70315E+04 153 sanidine -3.25 -4.20 -0.95 -0.073 0.20676E+04 155 siderite -3.79 -6.93 -3.14 -1.046 0.67936E+04 156 sillimanite -1.89 -5.57 -3.67 -0.367 0.79550E+04 163 stilbite -9.97 -10.90 -0.93 -0.044 0.20213E+04 165 stilpnomelane-Mg 13.08 12.32 -0.77 -0.023 0.16564E+04 166 stishovite 2.30 -2.40 -4.70 -1.565 0.10165E+05 169 sulfur -8.66 -13.12 -4.45 -1.370 0.96402E+04 171 talc 10.63 9.84 -0.79 -0.047 0.17130E+04 173 talc-tschermaks 7.56 2.59 -4.97 -0.292 0.10765E+05 178 topaz-H -1.54 -5.57 -4.03 -0.366 0.87150E+04 179 tridymite -2.16 -2.40 -0.24 -0.079 0.51095E+03 180 tremolite 32.62 31.28 -1.34 -0.036 0.29064E+04 182 troilite-low -5.31 -7.60 -2.29 -0.765 0.49662E+04 188 wairakite -2.95 -3.72 -0.77 -0.045 0.16661E+04 189 walstromite 8.68 6.64 -2.04 -0.407 0.44064E+04 190 wollastonite 7.86 6.64 -1.22 -0.244 0.26397E+04 191 pseudo-wollastonite 8.23 6.64 -1.59 -0.318 0.34451E+04 192 zoisite 8.55 6.13 -2.42 -0.110 0.52380E+04 193 beidellite-Ca -7.85 -11.00 -3.15 -0.195 0.68188E+04 194 beidellite-H -8.27 -12.49 -4.22 -0.269 0.91298E+04 195 beidellite-K -7.36 -10.98 -3.62 -0.222 0.78358E+04 196 beidellite-Mg -8.06 -11.42 -3.36 -0.208 0.72671E+04 197 beidellite-Na -7.28 -10.69 -3.40 -0.208 0.73675E+04 200 chalcedony -2.25 -2.40 -0.15 -0.049 0.32043E+03 201 chalcocite -22.10 -23.46 -1.36 -0.340 0.29418E+04 202 covellite -16.34 -18.29 -1.95 -0.744 0.42299E+04 204 montmorillonite-Ca -6.74 -8.60 -1.87 -0.115 0.40422E+04 205 montmorillonite-K -6.36 -8.59 -2.23 -0.137 0.48319E+04 206 montmorillonite-Mg -6.98 -9.03 -2.05 -0.127 0.44278E+04 207 montmorillonite-Na -6.21 -8.29 -2.08 -0.127 0.45021E+04 209 nontronite-Ca -0.15 -4.69 -4.54 -0.294 0.98240E+04 212 nontronite-Mg -0.37 -5.12 -4.75 -0.308 0.10279E+05 213 nontronite-Na 0.41 -4.38 -4.79 -0.308 0.10375E+05 229 tobermorite 8.57 5.13 -3.44 -0.939 0.74515E+04 235 alabandite -2.37 -6.11 -3.74 -1.246 0.80902E+04 240 boehmite 0.69 -1.59 -2.27 -0.379 0.49204E+04 242 chalcopyrite -25.08 -25.89 -0.82 -0.152 0.17656E+04 245 copper,native -1.54 -5.17 -3.63 -1.263 0.78593E+04 246 dolomite,disordered -2.02 -4.10 -2.08 -0.347 0.45024E+04 247 ferrous-oxide 6.63 2.88 -3.74 -0.936 0.81056E+04 248 fluorite -10.78 -12.38 -1.59 -0.531 0.34488E+04 257 silica-amorphous -1.78 -2.40 -0.61 -0.205 0.13315E+04 260 sphalerite -9.98 -10.15 -0.17 -0.057 0.37244E+03 261 wurtzite -8.54 -10.15 -1.62 -0.538 0.34966E+04 263 an20ab80 -1.80 -2.44 -0.63 -0.049 0.13723E+04 264 an25ab75 -1.52 -2.22 -0.70 -0.053 0.15053E+04 265 an30ab70 -1.24 -2.00 -0.76 -0.059 0.16491E+04 266 tr.625ac.25prg.125 28.88 26.67 -2.21 -0.060 0.47929E+04 271 FeS-amorphous -3.78 -7.60 -3.82 -1.274 0.82723E+04 Calculations done for 200.0000 Deg. C; 15.5318 bar Enthalpies: Pure water 3.6797 kcal/mole H2O,gas 12.0580 kcal/mole CO2,gas 2.3159 kcal/mole CH4,gas 2.2474 kcal/mole Current solution 164.8556 Gas 131.6749 kcal Total current enthalpy 296.5306 kcal Starting enthalpy 296.5306 kcal Temperature changed by -2.000 degrees to 198.000 degrees C. Solids and gases carried ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ Test file for CHIM-XPT. Boil Broadlands Water Water similar to Broadlands Well No. 2 CHIMRUN demo-2a ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ Number of loops used = 11 Loop limit = 200 Temperature = 198.00 C Pressure = 14.89 bar Mixer fraction = 0.0000000 Total current enthalpy = 296.5306 KCAL Water: Moles liquid = 0.4459E+02 kg liquid = 0.8033E+00 Moles total = 0.5551E+02 kg total = 0.1000E+01 Activity = 1.0000 Stoichiometric ionic strength = .4261638E-01 Osmotic coef. = 0.9163 True ionic strength = .4064704E-01 Chg. balance for total moles = 0.2402E-07 Max. difference allowed = 0.3072E-05 Log Log Log Species(n) Molality Molality Activity Activity Gamma Gamma 1 H+ 0.11984E-06 -6.9214 0.89148E-07 -7.0499 0.74387E+00 -0.1285 2 H2O 0.99996E+00 -0.0000 0.99996E+00 -0.0000 3 Cl- 0.37350E-01 -1.4277 0.27441E-01 -1.5616 0.73470E+00 -0.1339 4 SO4-- 0.39637E-06 -6.4019 0.12549E-06 -6.9014 0.31660E+00 -0.4995 5 HCO3- 0.23177E-02 -2.6349 0.17118E-02 -2.7665 0.73858E+00 -0.1316 6 HS- 0.48384E-03 -3.3153 0.35568E-03 -3.4489 0.73512E+00 -0.1336 7 H4SiO4 0.39304E-02 -2.4056 0.39304E-02 -2.4056 0.10000E+01 0.0000 8 Al+++ 0.27514E-21 -21.5604 0.20341E-22 -22.6916 0.73928E-01 -1.1312 9 Ca++ 0.30171E-04 -4.5204 0.93576E-05 -5.0288 0.31015E+00 -0.5084 10 Mg++ 0.85723E-07 -7.0669 0.26188E-07 -7.5819 0.30549E+00 -0.5150 11 Fe++ 0.19247E-10 -10.7156 0.59018E-11 -11.2290 0.30663E+00 -0.5134 12 K+ 0.46091E-02 -2.3364 0.34088E-02 -2.4674 0.73958E+00 -0.1310 13 Na+ 0.35932E-01 -1.4445 0.26404E-01 -1.5783 0.73483E+00 -0.1338 14 Mn++ 0.67215E-09 -9.1725 0.20667E-09 -9.6847 0.30748E+00 -0.5122 15 Zn++ 0.64468E-13 -13.1907 0.19768E-13 -13.7040 0.30663E+00 -0.5134 16 Cu+ 0.36597E-13 -13.4365 0.26888E-13 -13.5704 0.73469E+00 -0.1339 17 Pb++ 0.28557E-13 -13.5443 0.89398E-14 -14.0487 0.31306E+00 -0.5044 18 Hg++ 0.21104E-35 -35.6756 0.65776E-36 -36.1819 0.31168E+00 -0.5063 19 F- 0.29642E-03 -3.5281 0.21572E-03 -3.6661 0.72776E+00 -0.1380 21 HSiO3- 0.80199E-04 -4.0958 0.58923E-04 -4.2297 0.73470E+00 -0.1339 22 Ca(HSiO3)+ 0.12475E-06 -6.9040 0.92325E-07 -7.0347 0.74009E+00 -0.1307 23 Mg(HSiO3)+ 0.29456E-09 -9.5308 0.21800E-09 -9.6615 0.74009E+00 -0.1307 24 NaHSiO3,aq 0.16273E-04 -4.7885 0.16273E-04 -4.7885 0.10000E+01 0.0000 27 HAlO2,aq 0.57143E-08 -8.2430 0.57143E-08 -8.2430 0.10000E+01 0.0000 28 AlO2- 0.17027E-05 -5.7689 0.12410E-05 -5.9062 0.72882E+00 -0.1374 29 CH4,aq 0.52604E-05 -5.2790 0.51914E-05 -5.2847 0.98690E+00 -0.0057 34 CO,aq 0.82253E-09 -9.0848 0.82253E-09 -9.0848 0.10000E+01 0.0000 35 CO2,aq 0.19303E-02 -2.7144 0.19050E-02 -2.7201 0.98690E+00 -0.0057 36 CO3-2 0.21567E-05 -5.6662 0.67840E-06 -6.1685 0.31455E+00 -0.5023 37 CaCO3,aq 0.15148E-05 -5.8197 0.15148E-05 -5.8197 0.10000E+01 0.0000 38 Ca(HCO3)+ 0.49565E-05 -5.3048 0.36682E-05 -5.4355 0.74009E+00 -0.1307 39 CaCl+ 0.55465E-05 -5.2560 0.41049E-05 -5.3867 0.74009E+00 -0.1307 40 CaCl2,aq 0.45600E-07 -7.3410 0.45600E-07 -7.3410 0.10000E+01 0.0000 41 CaF+ 0.42508E-06 -6.3715 0.31460E-06 -6.5022 0.74009E+00 -0.1307 42 CaOH+ 0.15446E-05 -5.8112 0.11432E-05 -5.9419 0.74009E+00 -0.1307 43 CaSO4,aq 0.30142E-08 -8.5208 0.30142E-08 -8.5208 0.10000E+01 0.0000 44 HCl,aq 0.16932E-08 -8.7713 0.16932E-08 -8.7713 0.10000E+01 0.0000 61 HF,aq 0.13227E-05 -5.8785 0.13227E-05 -5.8785 0.10000E+01 0.0000 62 HF2- 0.12756E-09 -9.8943 0.93718E-10 -10.0282 0.73470E+00 -0.1339 69 FeO,aq 0.51407E-10 -10.2890 0.51407E-10 -10.2890 0.10000E+01 0.0000 70 FeOH+ 0.96494E-10 -10.0155 0.71414E-10 -10.1462 0.74009E+00 -0.1307 71 HFeO2- 0.26407E-10 -10.5783 0.19401E-10 -10.7122 0.73470E+00 -0.1339 74 FeO2- 0.18923E-10 -10.7230 0.13903E-10 -10.8569 0.73470E+00 -0.1339 76 H2,aq 0.11279E-04 -4.9477 0.11131E-04 -4.9534 0.98690E+00 -0.0057 77 Hg,aq 0.23904E-10 -10.6215 0.23591E-10 -10.6273 0.98690E+00 -0.0057 90 KCl,aq 0.14691E-04 -4.8330 0.14691E-04 -4.8330 0.10000E+01 0.0000 92 KOH,aq 0.38501E-06 -6.4145 0.38501E-06 -6.4145 0.10000E+01 0.0000 93 KSO4- 0.46619E-07 -7.3314 0.34251E-07 -7.4653 0.73470E+00 -0.1339 94 MgCO3,aq 0.59916E-09 -9.2225 0.59916E-09 -9.2225 0.10000E+01 0.0000 95 Mg(HCO3)+ 0.13458E-07 -7.8710 0.99602E-08 -8.0017 0.74009E+00 -0.1307 96 MgCl+ 0.91043E-08 -8.0408 0.67380E-08 -8.1715 0.74009E+00 -0.1307 97 MgF+ 0.35574E-08 -8.4489 0.26328E-08 -8.5796 0.74009E+00 -0.1307 98 MgOH+ 0.14929E-07 -7.8260 0.11049E-07 -7.9567 0.74009E+00 -0.1307 101 MnO,aq 0.54896E-10 -10.2605 0.54896E-10 -10.2605 0.10000E+01 0.0000 102 MnOH+ 0.45271E-09 -9.3442 0.33505E-09 -9.4749 0.74009E+00 -0.1307 107 MnCl+ 0.10963E-08 -8.9601 0.81134E-09 -9.0908 0.74009E+00 -0.1307 109 NaCl,aq 0.87023E-03 -3.0604 0.87023E-03 -3.0604 0.10000E+01 0.0000 110 NaF,aq 0.53890E-05 -5.2685 0.53890E-05 -5.2685 0.10000E+01 0.0000 111 NaOH,aq 0.21107E-05 -5.6756 0.21107E-05 -5.6756 0.10000E+01 0.0000 113 OH- 0.78353E-04 -4.1059 0.57105E-04 -4.2433 0.72882E+00 -0.1374 124 Pb(HS)2,aq 0.31962E-08 -8.4954 0.31962E-08 -8.4954 0.10000E+01 0.0000 125 Pb(HS)3- 0.35514E-10 -10.4496 0.26092E-10 -10.5835 0.73470E+00 -0.1339 126 H2S,aq 0.19670E-03 -3.7062 0.19412E-03 -3.7119 0.98690E+00 -0.0057 127 S2-2 0.11063E-09 -9.9561 0.34798E-10 -10.4585 0.31455E+00 -0.5023 135 HSO4- 0.41301E-09 -9.3840 0.30647E-09 -9.5136 0.74204E+00 -0.1296 153 ZnO,aq 0.20084E-10 -10.6972 0.20084E-10 -10.6972 0.10000E+01 0.0000 154 ZnOH+ 0.25585E-09 -9.5920 0.18935E-09 -9.7227 0.74009E+00 -0.1307 164 Cu(HS)2- 0.37212E-07 -7.4293 0.27340E-07 -7.5632 0.73470E+00 -0.1339 166 CuH4S3-b 0.16333E-09 -9.7869 0.12000E-09 -9.9208 0.73470E+00 -0.1339 179 MgSO4,aq 0.31301E-10 -10.5044 0.31301E-10 -10.5044 0.10000E+01 0.0000 180 MnCl2,aq 0.26485E-09 -9.5770 0.26485E-09 -9.5770 0.10000E+01 0.0000 181 MnCl3- 0.42641E-10 -10.3702 0.31329E-10 -10.5041 0.73470E+00 -0.1339 182 MnCO3,aq 0.78931E-09 -9.1028 0.78931E-09 -9.1028 0.10000E+01 0.0000 183 NaCO3- 0.10234E-05 -5.9900 0.75189E-06 -6.1238 0.73470E+00 -0.1339 184 NaHCO3,aq 0.49644E-04 -4.3041 0.49644E-04 -4.3041 0.10000E+01 0.0000 185 NaHS,aq 0.10315E-04 -4.9865 0.10315E-04 -4.9865 0.10000E+01 0.0000 186 NaSO4- 0.10079E-06 -6.9966 0.74050E-07 -7.1305 0.73470E+00 -0.1339 187 PbCO3,aq 0.29580E-09 -9.5290 0.29580E-09 -9.5290 0.10000E+01 0.0000 188 PbOH+ 0.21628E-10 -10.6650 0.16007E-10 -10.7957 0.74009E+00 -0.1307 193 Zn(HS)2,aq 0.18305E-07 -7.7374 0.18305E-07 -7.7374 0.10000E+01 0.0000 194 Zn(HS)3- 0.45641E-09 -9.3406 0.33533E-09 -9.4745 0.73470E+00 -0.1339 Charge balance for all species = 0.2990E-07 Component Molality Aq.molality ppm log[A(N)/A(H+)**Z] (total) 1 H+ 0.1198430E-06 0.1935069E-02 0.1944541E+01 0.0000 2 H2O 0.1000000E+01 0.5550633E+02 0.9969426E+06 0.0000 3 Cl- 0.3734966E-01 0.3824022E-01 0.1351635E+04 5.4883 4 SO4-- 0.3963681E-06 -.7533117E-05 -.7214573E+00 7.1984 5 HCO3- 0.2317725E-02 0.4312574E-02 0.2623463E+03 4.2834 6 HS- 0.4838444E-03 0.6990559E-03 0.2304934E+02 3.6010 7 H4SiO4 0.3930415E-02 0.4027013E-02 0.3858887E+03 -2.4056 8 Al+++ 0.2751420E-21 0.1708434E-05 0.4595687E-01 -1.5420 9 Ca++ 0.3017124E-04 0.4433203E-04 0.1771372E+01 9.0709 10 Mg++ 0.8572300E-07 0.1276968E-06 0.3095188E-02 6.5179 11 Fe++ 0.1924695E-10 0.2241740E-09 0.1248163E-04 2.8708 12 K+ 0.4609122E-02 0.4624244E-02 0.1802710E+03 4.5825 13 Na+ 0.3593185E-01 0.3688693E-01 0.8454615E+03 5.4716 14 Mn++ 0.6721494E-09 0.3380339E-08 0.1851481E-03 4.4151 15 Zn++ 0.6446831E-13 0.1904532E-07 0.1241232E-02 0.3957 16 Cu+ 0.3659743E-13 0.3738415E-07 0.2368214E-02 -6.5206 17 Pb++ 0.2855660E-13 0.3555840E-08 0.7345090E-03 0.0511 18 Hg++ 0.2110388E-35 0.2422014E-10 0.4843642E-05 -22.0822 19 F- 0.2964170E-03 0.3035577E-03 0.5749569E+01 3.3838 Component Tot moles Aq. moles Solid moles Gas moles 1 H+ 0.1822172E+00 0.1554531E-02 -.3766674E-05 0.1806665E+00 2 H2O 0.5550825E+02 0.4459084E+02 -.9238541E-02 0.1092666E+02 3 Cl- 0.3072017E-01 0.3072017E-01 0.0000000E+00 0.2961850E-09 4 SO4-- -.4257700E-02 -.6051706E-05 0.8085415E-09 -.4251649E-02 5 HCO3- 0.1832100E+00 0.3464493E-02 0.0000000E+00 0.1797455E+00 6 HS- 0.9985820E-02 0.5615844E-03 0.3330821E-07 0.9424202E-02 7 H4SiO4 0.7855346E-02 0.3235088E-02 0.4620258E-02 0.0000000E+00 8 Al+++ 0.2253680E-05 0.1372465E-05 0.8812149E-06 0.0000000E+00 9 Ca++ 0.3561400E-04 0.3561400E-04 0.0000000E+00 0.0000000E+00 10 Mg++ 0.2355503E-06 0.1025849E-06 0.1329654E-06 0.0000000E+00 11 Fe++ 0.8017372E-08 0.1800895E-09 0.7837282E-08 0.0000000E+00 12 K+ 0.3715700E-02 0.3714873E-02 0.8274712E-06 0.0000000E+00 13 Na+ 0.2963300E-01 0.2963300E-01 0.0000000E+00 0.0000000E+00 14 Mn++ 0.2740424E-08 0.2715585E-08 0.2483858E-10 0.0000000E+00 15 Zn++ 0.1530000E-07 0.1530000E-07 0.0000000E+00 0.0000000E+00 16 Cu+ 0.6237410E-07 0.3003244E-07 0.3234166E-07 0.0000000E+00 17 Pb++ 0.1110000E-07 0.2856573E-08 0.8243427E-08 0.0000000E+00 18 Hg++ 0.4000000E-08 0.1945717E-10 0.0000000E+00 0.3980543E-08 19 F- 0.2439100E-03 0.2438621E-03 0.0000000E+00 0.4786725E-07 Chg. balance for solid moles: 0.1686E-16 Mass of aqueous solution: 0.805781E+03 g Temperature = 198.00 C Pressure = 14.89 bar Mixer frac. = 0.0000000 Log Log Vol Gas or mineral Moles Moles Grams Grams Wt.% (cm3) H2O,gas 11.10 1.045 199.8 2.301 96.14 0.2651E+05 CO2,gas 0.1769 -0.752 7.784 0.891 3.745 481.0 CH4,gas 0.2869E-02 -2.542 0.4603E-01 -1.337 0.2214E-01 8.196 H2,gas 0.5528E-02 -2.257 0.1117E-01 -1.952 0.5373E-02 14.63 H2S,gas 0.5173E-02 -2.286 0.1763 -0.754 0.8482E-01 13.21 CO,gas 0.3981E-06 -6.400 0.1115E-04 -4.953 0.5365E-05 0.1047E-02 SO2,gas 0.3260E-13 -13.487 0.2088E-11 -11.680 0.1005E-11 0.8575E-10 HF,gas 0.4787E-07 -7.320 0.9573E-06 -6.019 0.4606E-06 0.1259E-03 HCl,gas 0.2962E-09 -9.528 0.1080E-07 -7.967 0.5196E-08 0.7791E-06 Hg,gas 0.3981E-08 -8.400 0.7985E-06 -6.098 0.3842E-06 0.1047E-04 clinochlore 0.2659E-07 -7.575 0.1478E-04 -4.830 0.5323E-02 0.5622E-05 daphnite 0.2738E-09 -9.563 0.1954E-06 -6.709 0.7035E-04 0.5920E-07 chlorite-Mn 0.4968E-11 -11.304 0.3522E-08 -8.453 0.1268E-05 0.1122E-08 microcline 0.8275E-06 -6.082 0.2303E-03 -3.638 0.8294E-01 0.8997E-04 quartz 0.4618E-02 -2.336 0.2774 -0.557 99.91 0.1048 bornite 0.6468E-08 -8.189 0.3246E-05 -5.489 0.1169E-02 0.6386E-06 galena 0.8243E-08 -8.084 0.1972E-05 -5.705 0.7103E-03 0.2596E-06 Partial press. Fugacity coef Log fugacity Gas or Mineral Mole fraction or activity Activity coef Log activity H2O,gas 0.9831E+00 0.1464E+02 0.9168 1.128 CO2,gas 0.1567E-01 0.2334E+00 1.0183 -0.624 CH4,gas 0.2543E-03 0.3786E-02 1.0798 -2.388 H2,gas 0.4899E-03 0.7295E-02 1.0063 -2.134 H2S,gas 0.4583E-03 0.6826E-02 0.9707 -2.179 CO,gas 0.3527E-07 0.5253E-06 1.0000 -6.280 SO2,gas 0.2888E-14 0.4302E-13 1.0000 -13.366 HF,gas 0.4241E-08 0.6316E-07 1.0000 -7.200 HCl,gas 0.2624E-10 0.3908E-09 1.0000 -9.408 Hg,gas 0.3527E-09 0.5253E-08 1.0000 -8.280 clinochlore 0.9896E+00 0.9896E+00 1.0000 -0.005 daphnite 0.1019E-01 0.1019E-01 1.0000 -1.992 chlorite-Mn 0.1849E-03 0.1849E-03 1.0000 -3.733 microcline 0.1000E+01 0.1000E+01 1.0000 0.000 quartz 0.1000E+01 0.1000E+01 1.0000 0.000 bornite 0.1000E+01 0.1000E+01 1.0000 0.000 galena 0.1000E+01 0.1000E+01 1.0000 0.000 Current weight percent of gas: 20.499180 % Solid products produced: Mass = 0.277682 g Volume = 0.104867 cm3 WARNING: mineral volume may be in error because some mineral densities were not supplied in SOLTHERM. See mineral list in file Skip_Species.txt. NON-Ideal mixing with H2O, CO2, CH4 Gases ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ The following gases and minerals are presently in matrix or were just added Gas or Mineral Log K Log Q Log(Q/K) Log(Q/K)/S Affinity Log Fugacity 1 H2O,gas 0.05 0.05 -0.00 -0.000 0.56564E-09 2 CO2,gas -8.02 -8.02 0.00 0.000 -0.20680E-09 3 CH4,gas 4.25 4.25 0.00 0.000 -0.53232E-09 4 H2,gas 5.93 5.93 0.00 0.000 -0.40211E-10 5 H2S,gas -7.15 -7.15 -0.00 -0.000 0.18191E-09 6 CO,gas 0.26 0.26 0.00 0.000 -0.71806E-12 7 SO2,gas -3.84 -3.84 -0.00 -0.000 0.19148E-11 8 HF,gas -2.34 -2.34 0.00 0.000 -0.38297E-11 9 HCl,gas 1.97 1.97 -0.00 -0.000 0.19148E-11 10 Hg,gas -10.00 -10.00 -0.00 -0.000 0.19148E-10 43 clinochlore 22.31 22.31 0.00 0.000 -0.22978E-10 44 daphnite 14.01 14.01 0.00 0.000 -0.45956E-10 45 chlorite-Mn 30.44 30.44 0.00 0.000 -0.76593E-11 115 microcline -4.18 -4.18 0.00 0.000 -0.95741E-11 146 quartz -2.41 -2.41 0.00 0.000 0.00000E+00 198 bornite -73.04 -73.04 0.00 0.000 0.00000E+00 249 galena -10.45 -10.45 -0.00 -0.000 0.38297E-11 The following gases and minerals are presently EXCLUDED from matrix (Gases and minerals with log(Q/K) less than -5 are not listed below) Gas or Mineral Log K Log Q Log(Q/K) Log(Q/K)/S Affinity Log Fugacity 11 acmite 5.72 2.22 -3.50 -0.364 0.75445E+04 15 albite-high -2.11 -3.29 -1.18 -0.091 0.25397E+04 16 albite -2.78 -3.29 -0.51 -0.039 0.10983E+04 20 analcite 0.34 -0.88 -1.22 -0.136 0.26408E+04 21 andalusite -1.95 -5.49 -3.54 -0.354 0.76274E+04 22 andradite 27.89 23.11 -4.78 -0.248 0.10300E+05 23 grossular 19.41 16.91 -2.50 -0.125 0.53915E+04 24 anhydrite -7.22 -11.93 -4.71 -2.355 0.10153E+05 25 ankerite -4.59 -7.69 -3.10 -0.516 0.66783E+04 27 phlogopite 16.85 15.38 -1.47 -0.082 0.31703E+04 29 anorthite 3.49 1.18 -2.31 -0.178 0.49875E+04 32 aragonite -0.38 -0.75 -0.37 -0.122 0.78739E+03 33 brucite 9.46 6.52 -2.94 -0.588 0.63401E+04 34 calcite -0.53 -0.75 -0.21 -0.070 0.45521E+03 35 carnegieite-low 4.81 1.52 -3.28 -0.469 0.70737E+04 36 carnegieite-high 5.48 1.52 -3.96 -0.565 0.85339E+04 37 carpholite-Mg 1.00 -1.38 -2.38 -0.159 0.51358E+04 38 carpholite-Fe -0.54 -5.02 -4.49 -0.299 0.96732E+04 39 celadonite 1.80 -0.06 -1.86 -0.110 0.40192E+04 40 celadonite-Fe 0.48 -3.71 -4.19 -0.246 0.90325E+04 41 chrysotile 17.06 14.74 -2.32 -0.194 0.50061E+04 46 chlorite-Al-free 33.74 29.48 -4.26 -0.177 0.91777E+04 47 chloritoid-Mg 4.21 1.03 -3.18 -0.212 0.68583E+04 48 chloritoid-Fe 1.08 -2.62 -3.69 -0.246 0.79650E+04 49 chloritoid-Mn 3.29 -1.07 -4.36 -0.291 0.94044E+04 51 coesite -1.90 -2.41 -0.50 -0.168 0.10859E+04 56 corundum 0.77 -3.08 -3.85 -0.350 0.83072E+04 58 cristobalite -2.14 -2.41 -0.27 -0.090 0.58075E+03 61 cymrite-K -0.73 -4.18 -3.45 -0.287 0.74277E+04 63 diaspore -0.29 -1.54 -1.25 -0.209 0.26978E+04 64 diamond -2.13 -4.57 -2.44 -0.697 0.52566E+04 65 diopside 11.50 10.78 -0.73 -0.073 0.15679E+04 66 hedenbergite 9.86 7.13 -2.73 -0.273 0.58846E+04 67 dolomite,ordered -2.39 -4.04 -1.65 -0.276 0.35656E+04 68 eastonite 13.03 8.18 -4.85 -0.186 0.10451E+05 69 enstatite 11.69 8.22 -3.46 -0.346 0.74614E+04 70 clinoenstatite-HiP 12.56 8.22 -4.33 -0.433 0.93405E+04 71 clinoenstatite 11.61 8.22 -3.39 -0.339 0.72992E+04 72 protoenstatite 12.08 8.22 -3.85 -0.385 0.83079E+04 73 epidote 12.12 9.40 -2.72 -0.132 0.58591E+04 74 clinozoisite 8.75 6.30 -2.45 -0.111 0.52759E+04 78 forsterite 14.66 10.63 -4.03 -0.575 0.86842E+04 81 gibbsite 1.00 -1.54 -2.55 -0.364 0.54888E+04 82 glaucophane 11.70 8.17 -3.53 -0.095 0.76137E+04 84 goethite 4.28 1.56 -2.72 -0.589 0.58696E+04 85 graphite -2.52 -4.57 -2.04 -0.584 0.44031E+04 88 halite 1.24 -3.14 -4.38 -2.192 0.94534E+04 89 hematite 7.86 3.12 -4.74 -0.575 0.10223E+05 90 heulandite -10.25 -10.85 -0.60 -0.027 0.12939E+04 94 jadeite 1.25 -0.88 -2.14 -0.214 0.46041E+04 96 kalsilite 3.82 0.63 -3.18 -0.455 0.68620E+04 97 kaolinite -5.89 -7.90 -2.00 -0.182 0.43154E+04 98 kyanite -1.95 -5.49 -3.54 -0.354 0.76401E+04 100 laumontite -2.86 -3.64 -0.77 -0.052 0.16703E+04 101 lawsonite 2.55 1.18 -1.37 -0.092 0.29616E+04 102 leucite 0.83 -1.77 -2.60 -0.260 0.55973E+04 104 lizardite 16.69 14.74 -1.95 -0.162 0.41963E+04 105 magnesite -1.12 -3.30 -2.18 -0.725 0.46896E+04 108 minnesotaite-Mg 13.92 9.93 -3.99 -0.235 0.86060E+04 112 margarite 2.04 -1.91 -3.95 -0.158 0.85139E+04 116 monticellite 17.92 13.18 -4.74 -0.677 0.10210E+05 119 muscovite -5.44 -7.26 -1.82 -0.107 0.39200E+04 120 paragonite -4.30 -6.37 -2.07 -0.122 0.44599E+04 121 nepheline 4.24 1.52 -2.71 -0.387 0.58470E+04 133 phlogopite-Na 18.64 16.27 -2.37 -0.132 0.51104E+04 135 prehnite 9.19 7.84 -1.34 -0.079 0.28987E+04 136 prehnite-Fe 13.45 10.94 -2.51 -0.151 0.54066E+04 137 pumpellyite-Fe 21.82 17.01 -4.81 -0.107 0.10362E+05 138 pumpellyite-Mg 24.01 20.66 -3.35 -0.074 0.72229E+04 140 px-Ca-tschermaks 8.47 3.58 -4.89 -0.349 0.10544E+05 141 pyrite -19.59 -20.75 -1.16 -0.273 0.24972E+04 142 pyrrhotite -5.23 -7.63 -2.40 -0.800 0.51740E+04 143 pyrrhotiteFe0.875 -6.54 -8.31 -1.77 -0.651 0.38170E+04 144 pyroxmangite 5.24 2.01 -3.23 -0.646 0.69648E+04 145 pyrophyllite -10.26 -12.71 -2.44 -0.153 0.52630E+04 151 rhodochrosite -2.06 -5.40 -3.35 -1.115 0.72124E+04 152 rhodonite 5.26 2.01 -3.25 -0.651 0.70170E+04 153 sanidine -3.22 -4.18 -0.96 -0.074 0.20678E+04 155 siderite -3.76 -6.95 -3.18 -1.060 0.68584E+04 156 sillimanite -1.77 -5.49 -3.72 -0.372 0.80098E+04 163 stilbite -9.93 -10.85 -0.92 -0.044 0.19841E+04 165 stilpnomelane-Mg 13.31 12.55 -0.76 -0.023 0.16365E+04 166 stishovite 2.31 -2.41 -4.71 -1.570 0.10157E+05 169 sulfur -8.66 -13.12 -4.46 -1.372 0.96144E+04 171 talc 10.72 9.93 -0.79 -0.047 0.17062E+04 178 topaz-H -1.44 -5.49 -4.05 -0.368 0.87313E+04 179 tridymite -2.17 -2.41 -0.24 -0.079 0.51296E+03 180 tremolite 32.87 31.49 -1.38 -0.037 0.29749E+04 182 troilite-low -5.29 -7.63 -2.34 -0.780 0.50437E+04 188 wairakite -2.83 -3.64 -0.80 -0.047 0.17279E+04 189 walstromite 8.72 6.67 -2.06 -0.412 0.44369E+04 190 wollastonite 7.90 6.67 -1.24 -0.248 0.26697E+04 191 pseudo-wollastonite 8.28 6.67 -1.61 -0.323 0.34772E+04 192 zoisite 8.79 6.30 -2.49 -0.113 0.53647E+04 193 beidellite-Ca -7.74 -10.92 -3.18 -0.197 0.68577E+04 194 beidellite-H -8.17 -12.42 -4.25 -0.271 0.91611E+04 195 beidellite-K -7.26 -10.91 -3.65 -0.223 0.78596E+04 196 beidellite-Mg -7.96 -11.35 -3.39 -0.210 0.73030E+04 197 beidellite-Na -7.19 -10.62 -3.43 -0.210 0.73959E+04 200 chalcedony -2.26 -2.41 -0.15 -0.050 0.32037E+03 201 chalcocite -22.19 -23.54 -1.35 -0.338 0.29169E+04 202 covellite -16.39 -18.33 -1.95 -0.742 0.41969E+04 204 montmorillonite-Ca -6.66 -8.55 -1.89 -0.117 0.40671E+04 205 montmorillonite-K -6.29 -8.53 -2.25 -0.138 0.48444E+04 206 montmorillonite-Mg -6.91 -8.97 -2.06 -0.128 0.44486E+04 207 montmorillonite-Na -6.15 -8.24 -2.09 -0.128 0.45160E+04 209 nontronite-Ca -0.10 -4.72 -4.63 -0.300 0.99723E+04 212 nontronite-Mg -0.31 -5.15 -4.83 -0.314 0.10423E+05 213 nontronite-Na 0.46 -4.42 -4.88 -0.313 0.10512E+05 229 tobermorite 8.59 5.15 -3.44 -0.940 0.74240E+04 235 alabandite -2.34 -6.08 -3.74 -1.247 0.80647E+04 240 boehmite 0.75 -1.54 -2.29 -0.382 0.49375E+04 242 chalcopyrite -25.12 -25.96 -0.84 -0.156 0.18132E+04 245 copper,native -1.57 -5.21 -3.64 -1.267 0.78510E+04 246 dolomite,disordered -1.96 -4.04 -2.08 -0.347 0.44890E+04 247 ferrous-oxide 6.68 2.87 -3.81 -0.952 0.82064E+04 248 fluorite -10.76 -12.36 -1.60 -0.534 0.34539E+04 257 silica-amorphous -1.79 -2.41 -0.62 -0.206 0.13353E+04 260 sphalerite -9.98 -10.10 -0.12 -0.041 0.26515E+03 261 wurtzite -8.53 -10.10 -1.57 -0.524 0.33895E+04 263 an20ab80 -1.74 -2.39 -0.65 -0.050 0.14073E+04 264 an25ab75 -1.45 -2.17 -0.72 -0.055 0.15445E+04 265 an30ab70 -1.16 -1.95 -0.79 -0.060 0.16924E+04 266 tr.625ac.25prg.125 29.14 26.82 -2.32 -0.063 0.50068E+04 271 FeS-amorphous -3.77 -7.63 -3.86 -1.285 0.83129E+04 Calculations done for 198.0000 Deg. C; 14.8921 bar Enthalpies: Pure water 3.6414 kcal/mole H2O,gas 12.0541 kcal/mole CO2,gas 2.2784 kcal/mole CH4,gas 2.2113 kcal/mole Current solution 162.3795 Gas 134.1511 kcal Total current enthalpy 296.5306 kcal Starting enthalpy 296.5306 kcal Temperature changed by -2.000 degrees to 196.000 degrees C. Solids and gases carried ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ Test file for CHIM-XPT. Boil Broadlands Water Water similar to Broadlands Well No. 2 CHIMRUN demo-2a ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ Number of loops used = 11 Loop limit = 200 Temperature = 196.00 C Pressure = 14.27 bar Mixer fraction = 0.0000000 Total current enthalpy = 296.5306 KCAL Water: Moles liquid = 0.4438E+02 kg liquid = 0.7996E+00 Moles total = 0.5551E+02 kg total = 0.1000E+01 Activity = 1.0000 Stoichiometric ionic strength = .4274483E-01 Osmotic coef. = 0.9168 True ionic strength = .4085969E-01 Chg. balance for total moles = 0.2402E-07 Max. difference allowed = 0.3072E-05 Log Log Log Species(n) Molality Molality Activity Activity Gamma Gamma 1 H+ 0.11661E-06 -6.9332 0.86862E-07 -7.0612 0.74487E+00 -0.1279 2 H2O 0.99996E+00 -0.0000 0.99996E+00 -0.0000 3 Cl- 0.37544E-01 -1.4255 0.27623E-01 -1.5587 0.73573E+00 -0.1333 4 SO4-- 0.42598E-06 -6.3706 0.13557E-06 -6.8678 0.31826E+00 -0.4972 5 HCO3- 0.23347E-02 -2.6318 0.17267E-02 -2.7628 0.73959E+00 -0.1310 6 HS- 0.48123E-03 -3.3176 0.35425E-03 -3.4507 0.73614E+00 -0.1330 7 H4SiO4 0.38443E-02 -2.4152 0.38443E-02 -2.4152 0.10000E+01 0.0000 8 Al+++ 0.27830E-21 -21.5555 0.20822E-22 -22.6815 0.74819E-01 -1.1260 9 Ca++ 0.30679E-04 -4.5132 0.95659E-05 -5.0193 0.31181E+00 -0.5061 10 Mg++ 0.89492E-07 -7.0482 0.27489E-07 -7.5608 0.30717E+00 -0.5126 11 Fe++ 0.17568E-10 -10.7553 0.54162E-11 -11.2663 0.30830E+00 -0.5110 12 K+ 0.46311E-02 -2.3343 0.34297E-02 -2.4647 0.74057E+00 -0.1304 13 Na+ 0.36121E-01 -1.4422 0.26580E-01 -1.5755 0.73585E+00 -0.1332 14 Mn++ 0.69131E-09 -9.1603 0.21372E-09 -9.6702 0.30915E+00 -0.5098 15 Zn++ 0.70249E-13 -13.1534 0.21658E-13 -13.6644 0.30830E+00 -0.5110 16 Cu+ 0.32963E-13 -13.4820 0.24251E-13 -13.6153 0.73571E+00 -0.1333 17 Pb++ 0.26521E-13 -13.5764 0.83466E-14 -14.0785 0.31471E+00 -0.5021 18 Hg++ 0.17474E-35 -35.7576 0.54753E-36 -36.2616 0.31334E+00 -0.5040 19 F- 0.29804E-03 -3.5257 0.21722E-03 -3.6631 0.72885E+00 -0.1374 21 HSiO3- 0.81073E-04 -4.0911 0.59648E-04 -4.2244 0.73573E+00 -0.1333 22 Ca(HSiO3)+ 0.12284E-06 -6.9107 0.91034E-07 -7.0408 0.74108E+00 -0.1301 23 Mg(HSiO3)+ 0.30005E-09 -9.5228 0.22236E-09 -9.6529 0.74108E+00 -0.1301 24 NaHSiO3,aq 0.16534E-04 -4.7816 0.16534E-04 -4.7816 0.10000E+01 0.0000 27 HAlO2,aq 0.54989E-08 -8.2597 0.54989E-08 -8.2597 0.10000E+01 0.0000 28 AlO2- 0.16212E-05 -5.7902 0.11833E-05 -5.9269 0.72990E+00 -0.1367 29 CH4,aq 0.48636E-05 -5.3130 0.47996E-05 -5.3188 0.98685E+00 -0.0057 34 CO,aq 0.70546E-09 -9.1515 0.70546E-09 -9.1515 0.10000E+01 0.0000 35 CO2,aq 0.18098E-02 -2.7424 0.17860E-02 -2.7481 0.98685E+00 -0.0057 36 CO3-2 0.22881E-05 -5.6405 0.72352E-06 -6.1405 0.31621E+00 -0.5000 37 CaCO3,aq 0.15409E-05 -5.8122 0.15409E-05 -5.8122 0.10000E+01 0.0000 38 Ca(HCO3)+ 0.48406E-05 -5.3151 0.35873E-05 -5.4452 0.74108E+00 -0.1301 39 CaCl+ 0.54041E-05 -5.2673 0.40049E-05 -5.3974 0.74108E+00 -0.1301 40 CaCl2,aq 0.43811E-07 -7.3584 0.43811E-07 -7.3584 0.10000E+01 0.0000 41 CaF+ 0.41335E-06 -6.3837 0.30633E-06 -6.5138 0.74108E+00 -0.1301 42 CaOH+ 0.14922E-05 -5.8262 0.11058E-05 -5.9563 0.74108E+00 -0.1301 43 CaSO4,aq 0.31543E-08 -8.5011 0.31543E-08 -8.5011 0.10000E+01 0.0000 44 HCl,aq 0.15948E-08 -8.7973 0.15948E-08 -8.7973 0.10000E+01 0.0000 61 HF,aq 0.12352E-05 -5.9083 0.12352E-05 -5.9083 0.10000E+01 0.0000 62 HF2- 0.12018E-09 -9.9202 0.88418E-10 -10.0535 0.73573E+00 -0.1333 69 FeO,aq 0.43963E-10 -10.3569 0.43963E-10 -10.3569 0.10000E+01 0.0000 70 FeOH+ 0.85631E-10 -10.0674 0.63459E-10 -10.1975 0.74108E+00 -0.1301 71 HFeO2- 0.22865E-10 -10.6408 0.16822E-10 -10.7741 0.73573E+00 -0.1333 74 FeO2- 0.16116E-10 -10.7927 0.11857E-10 -10.9260 0.73573E+00 -0.1333 76 H2,aq 0.10375E-04 -4.9840 0.10239E-04 -4.9897 0.98685E+00 -0.0057 77 Hg,aq 0.22041E-10 -10.6568 0.21751E-10 -10.6625 0.98685E+00 -0.0057 90 KCl,aq 0.14244E-04 -4.8464 0.14244E-04 -4.8464 0.10000E+01 0.0000 92 KOH,aq 0.38025E-06 -6.4199 0.38025E-06 -6.4199 0.10000E+01 0.0000 93 KSO4- 0.48613E-07 -7.3132 0.35766E-07 -7.4465 0.73573E+00 -0.1333 94 MgCO3,aq 0.63205E-09 -9.1992 0.63205E-09 -9.1992 0.10000E+01 0.0000 95 Mg(HCO3)+ 0.13523E-07 -7.8689 0.10022E-07 -7.9991 0.74108E+00 -0.1301 96 MgCl+ 0.91785E-08 -8.0372 0.68020E-08 -8.1674 0.74108E+00 -0.1301 97 MgF+ 0.35662E-08 -8.4478 0.26428E-08 -8.5779 0.74108E+00 -0.1301 98 MgOH+ 0.14889E-07 -7.8271 0.11034E-07 -7.9573 0.74108E+00 -0.1301 101 MnO,aq 0.52919E-10 -10.2764 0.52919E-10 -10.2764 0.10000E+01 0.0000 102 MnOH+ 0.45057E-09 -9.3462 0.33391E-09 -9.4764 0.74108E+00 -0.1301 107 MnCl+ 0.10650E-08 -8.9726 0.78926E-09 -9.1028 0.74108E+00 -0.1301 109 NaCl,aq 0.85515E-03 -3.0680 0.85515E-03 -3.0680 0.10000E+01 0.0000 110 NaF,aq 0.52900E-05 -5.2765 0.52900E-05 -5.2765 0.10000E+01 0.0000 111 NaOH,aq 0.20952E-05 -5.6788 0.20952E-05 -5.6788 0.10000E+01 0.0000 113 OH- 0.78543E-04 -4.1049 0.57329E-04 -4.2416 0.72990E+00 -0.1367 124 Pb(HS)2,aq 0.29183E-08 -8.5349 0.29183E-08 -8.5349 0.10000E+01 0.0000 125 Pb(HS)3- 0.31729E-10 -10.4985 0.23344E-10 -10.6318 0.73573E+00 -0.1333 126 H2S,aq 0.18534E-03 -3.7320 0.18290E-03 -3.7378 0.98685E+00 -0.0057 127 S2-2 0.10868E-09 -9.9639 0.34366E-10 -10.4639 0.31621E+00 -0.5000 135 HSO4- 0.40492E-09 -9.3926 0.30086E-09 -9.5216 0.74302E+00 -0.1290 153 ZnO,aq 0.20735E-10 -10.6833 0.20735E-10 -10.6833 0.10000E+01 0.0000 154 ZnOH+ 0.26512E-09 -9.5766 0.19648E-09 -9.7067 0.74108E+00 -0.1301 164 Cu(HS)2- 0.36101E-07 -7.4425 0.26561E-07 -7.5758 0.73573E+00 -0.1333 166 CuH4S3-b 0.16925E-09 -9.7715 0.12452E-09 -9.9047 0.73573E+00 -0.1333 179 MgSO4,aq 0.33816E-10 -10.4709 0.33816E-10 -10.4709 0.10000E+01 0.0000 180 MnCl2,aq 0.24798E-09 -9.6056 0.24798E-09 -9.6056 0.10000E+01 0.0000 181 MnCl3- 0.39622E-10 -10.4021 0.29151E-10 -10.5353 0.73573E+00 -0.1333 182 MnCO3,aq 0.84231E-09 -9.0745 0.84231E-09 -9.0745 0.10000E+01 0.0000 183 NaCO3- 0.10675E-05 -5.9716 0.78540E-06 -6.1049 0.73573E+00 -0.1333 184 NaHCO3,aq 0.48252E-04 -4.3165 0.48252E-04 -4.3165 0.10000E+01 0.0000 185 NaHS,aq 0.98994E-05 -5.0044 0.98994E-05 -5.0044 0.10000E+01 0.0000 186 NaSO4- 0.10680E-06 -6.9714 0.78580E-07 -7.1047 0.73573E+00 -0.1333 187 PbCO3,aq 0.28339E-09 -9.5476 0.28339E-09 -9.5476 0.10000E+01 0.0000 188 PbOH+ 0.19898E-10 -10.7012 0.14746E-10 -10.8313 0.74108E+00 -0.1301 193 Zn(HS)2,aq 0.18373E-07 -7.7358 0.18373E-07 -7.7358 0.10000E+01 0.0000 194 Zn(HS)3- 0.46787E-09 -9.3299 0.34423E-09 -9.4632 0.73573E+00 -0.1333 Charge balance for all species = 0.3004E-07 Component Molality Aq.molality ppm log[A(N)/A(H+)**Z] (total) 1 H+ 0.1166142E-06 0.1802244E-02 0.1811070E+01 0.0000 2 H2O 0.1000000E+01 0.5550644E+02 0.9969465E+06 0.0000 3 Cl- 0.3754426E-01 0.3841916E-01 0.1357963E+04 5.5024 4 SO4-- 0.4259768E-06 -.6872552E-05 -.6581953E+00 7.2545 5 HCO3- 0.2334735E-02 0.4207405E-02 0.2559491E+03 4.2984 6 HS- 0.4812325E-03 0.6840449E-03 0.2255444E+02 3.6105 7 H4SiO4 0.3844294E-02 0.3942024E-02 0.3777454E+03 -2.4152 8 Al+++ 0.2783033E-21 0.1626696E-05 0.4375819E-01 -1.4980 9 Ca++ 0.3067853E-04 0.4453947E-04 0.1779664E+01 9.1031 10 Mg++ 0.8949245E-07 0.1316147E-06 0.3190158E-02 6.5615 11 Fe++ 0.1756791E-10 0.1963378E-09 0.1093178E-04 2.8560 12 K+ 0.4631119E-02 0.4645791E-02 0.1811113E+03 4.5964 13 Na+ 0.3612113E-01 0.3705953E-01 0.8494191E+03 5.4857 14 Mn++ 0.6913112E-09 0.3397173E-08 0.1860704E-03 4.4522 15 Zn++ 0.7024945E-13 0.1913444E-07 0.1247042E-02 0.4580 16 Cu+ 0.3296273E-13 0.3627832E-07 0.2298165E-02 -6.5541 17 Pb++ 0.2652133E-13 0.3259341E-08 0.6732642E-03 0.0438 18 Hg++ 0.1747425E-35 0.2234771E-10 0.4469195E-05 -22.1393 19 F- 0.2980389E-03 0.3049813E-03 0.5776543E+01 3.3981 Component Tot moles Aq. moles Solid moles Gas moles 1 H+ 0.1822172E+00 0.1441084E-02 -.4049976E-05 0.1807802E+00 2 H2O 0.5550825E+02 0.4438325E+02 -.9404451E-02 0.1113441E+02 3 Cl- 0.3072017E-01 0.3072017E-01 0.0000000E+00 0.2759302E-09 4 SO4-- -.4257700E-02 -.5495330E-05 0.8341440E-09 -.4252205E-02 5 HCO3- 0.1832100E+00 0.3364264E-02 0.0000000E+00 0.1798457E+00 6 HS- 0.9985820E-02 0.5469660E-03 0.3435228E-07 0.9438819E-02 7 H4SiO4 0.7855346E-02 0.3152064E-02 0.4703282E-02 0.0000000E+00 8 Al+++ 0.2253680E-05 0.1300715E-05 0.9529654E-06 0.0000000E+00 9 Ca++ 0.3561400E-04 0.3561400E-04 0.0000000E+00 0.0000000E+00 10 Mg++ 0.2355503E-06 0.1052398E-06 0.1303104E-06 0.0000000E+00 11 Fe++ 0.8017372E-08 0.1569928E-09 0.7860379E-08 0.0000000E+00 12 K+ 0.3715700E-02 0.3714800E-02 0.9003568E-06 0.0000000E+00 13 Na+ 0.2963300E-01 0.2963300E-01 0.0000000E+00 0.0000000E+00 14 Mn++ 0.2740424E-08 0.2716397E-08 0.2402619E-10 0.0000000E+00 15 Zn++ 0.1530000E-07 0.1530000E-07 0.0000000E+00 0.0000000E+00 16 Cu+ 0.6237410E-07 0.2900834E-07 0.3336576E-07 0.0000000E+00 17 Pb++ 0.1110000E-07 0.2606187E-08 0.8493813E-08 0.0000000E+00 18 Hg++ 0.4000000E-08 0.1786935E-10 0.0000000E+00 0.3982131E-08 19 F- 0.2439100E-03 0.2438647E-03 0.0000000E+00 0.4533854E-07 Chg. balance for solid moles: -.3386E-16 Mass of aqueous solution: 0.802027E+03 g Temperature = 196.00 C Pressure = 14.27 bar Mixer frac. = 0.0000000 Log Log Vol Gas or mineral Moles Moles Grams Grams Wt.% (cm3) H2O,gas 11.30 1.053 203.6 2.309 96.21 0.2814E+05 CO2,gas 0.1770 -0.752 7.788 0.891 3.681 499.7 CH4,gas 0.2878E-02 -2.541 0.4617E-01 -1.336 0.2182E-01 8.522 H2,gas 0.5495E-02 -2.260 0.1110E-01 -1.955 0.5246E-02 15.11 H2S,gas 0.5187E-02 -2.285 0.1768 -0.753 0.8354E-01 13.77 CO,gas 0.3714E-06 -6.430 0.1040E-04 -4.983 0.4917E-05 0.1015E-02 SO2,gas 0.2934E-13 -13.532 0.1880E-11 -11.726 0.8884E-12 0.8020E-10 HF,gas 0.4534E-07 -7.344 0.9068E-06 -6.043 0.4286E-06 0.1239E-03 HCl,gas 0.2759E-09 -9.559 0.1006E-07 -7.997 0.4755E-08 0.7541E-06 Hg,gas 0.3982E-08 -8.400 0.7988E-06 -6.098 0.3775E-06 0.1088E-04 clinochlore 0.2606E-07 -7.584 0.1449E-04 -4.839 0.5125E-02 0.5510E-05 daphnite 0.2374E-09 -9.624 0.1694E-06 -6.771 0.5993E-04 0.5134E-07 chlorite-Mn 0.4805E-11 -11.318 0.3407E-08 -8.468 0.1205E-05 0.1086E-08 microcline 0.9004E-06 -6.046 0.2506E-03 -3.601 0.8865E-01 0.9789E-04 quartz 0.4701E-02 -2.328 0.2824 -0.549 99.90 0.1066 bornite 0.6673E-08 -8.176 0.3349E-05 -5.475 0.1185E-02 0.6588E-06 galena 0.8494E-08 -8.071 0.2032E-05 -5.692 0.7189E-03 0.2675E-06 Partial press. Fugacity coef Log fugacity Gas or Mineral Mole fraction or activity Activity coef Log activity H2O,gas 0.9834E+00 0.1404E+02 0.9188 1.110 CO2,gas 0.1540E-01 0.2197E+00 1.0186 -0.650 CH4,gas 0.2504E-03 0.3574E-02 1.0777 -2.414 H2,gas 0.4781E-03 0.6824E-02 1.0061 -2.163 H2S,gas 0.4513E-03 0.6440E-02 0.9715 -2.204 CO,gas 0.3231E-07 0.4612E-06 1.0000 -6.336 SO2,gas 0.2553E-14 0.3644E-13 1.0000 -13.438 HF,gas 0.3945E-08 0.5630E-07 1.0000 -7.249 HCl,gas 0.2401E-10 0.3426E-09 1.0000 -9.465 Hg,gas 0.3465E-09 0.4945E-08 1.0000 -8.306 clinochlore 0.9908E+00 0.9908E+00 1.0000 -0.004 daphnite 0.9027E-02 0.9027E-02 1.0000 -2.044 chlorite-Mn 0.1827E-03 0.1827E-03 1.0000 -3.738 microcline 0.1000E+01 0.1000E+01 1.0000 0.000 quartz 0.1000E+01 0.1000E+01 1.0000 0.000 bornite 0.1000E+01 0.1000E+01 1.0000 0.000 galena 0.1000E+01 0.1000E+01 1.0000 0.000 Current weight percent of gas: 20.868889 % Solid products produced: Mass = 0.282677 g Volume = 0.106753 cm3 WARNING: mineral volume may be in error because some mineral densities were not supplied in SOLTHERM. See mineral list in file Skip_Species.txt. NON-Ideal mixing with H2O, CO2, CH4 Gases ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ The following gases and minerals are presently in matrix or were just added Gas or Mineral Log K Log Q Log(Q/K) Log(Q/K)/S Affinity Log Fugacity 1 H2O,gas 0.04 0.04 -0.00 -0.000 0.42627E-09 2 CO2,gas -8.02 -8.02 0.00 0.000 -0.15635E-09 3 CH4,gas 4.22 4.22 0.00 0.000 -0.39659E-09 4 H2,gas 5.94 5.94 0.00 0.000 -0.28600E-10 5 H2S,gas -7.15 -7.15 -0.00 -0.000 0.13728E-09 6 CO,gas 0.29 0.29 0.00 0.000 -0.14300E-11 7 SO2,gas -3.78 -3.78 0.00 0.000 -0.76268E-11 8 HF,gas -2.32 -2.32 -0.00 -0.000 0.57201E-11 9 HCl,gas 2.00 2.00 -0.00 -0.000 0.76268E-11 10 Hg,gas -10.06 -10.06 0.00 0.000 -0.38134E-11 43 clinochlore 22.59 22.59 0.00 0.000 -0.61014E-10 44 daphnite 14.26 14.26 0.00 0.000 -0.30507E-10 45 chlorite-Mn 30.71 30.71 0.00 0.000 -0.68641E-10 115 microcline -4.15 -4.15 0.00 0.000 -0.19067E-11 146 quartz -2.42 -2.42 0.00 0.000 0.00000E+00 198 bornite -73.27 -73.27 -0.00 -0.000 0.61014E-10 249 galena -10.47 -10.47 -0.00 -0.000 0.38134E-11 The following gases and minerals are presently EXCLUDED from matrix (Gases and minerals with log(Q/K) less than -5 are not listed below) Gas or Mineral Log K Log Q Log(Q/K) Log(Q/K)/S Affinity Log Fugacity 11 acmite 5.75 2.20 -3.55 -0.369 0.76176E+04 15 albite-high -2.06 -3.26 -1.20 -0.092 0.25656E+04 16 albite -2.74 -3.26 -0.52 -0.040 0.11160E+04 20 analcite 0.39 -0.84 -1.23 -0.137 0.26508E+04 21 andalusite -1.83 -5.41 -3.58 -0.358 0.76805E+04 22 andradite 28.07 23.16 -4.92 -0.256 0.10559E+05 23 grossular 19.64 17.07 -2.57 -0.128 0.55151E+04 24 anhydrite -7.18 -11.89 -4.71 -2.355 0.10110E+05 25 ankerite -4.54 -7.69 -3.15 -0.524 0.67553E+04 27 phlogopite 17.02 15.54 -1.48 -0.082 0.31729E+04 29 anorthite 3.64 1.28 -2.37 -0.182 0.50835E+04 32 aragonite -0.35 -0.72 -0.37 -0.123 0.79070E+03 33 brucite 9.51 6.56 -2.95 -0.589 0.63271E+04 34 calcite -0.51 -0.72 -0.21 -0.071 0.45975E+03 35 carnegieite-low 4.87 1.57 -3.30 -0.472 0.70891E+04 36 carnegieite-high 5.56 1.57 -3.99 -0.569 0.85568E+04 37 carpholite-Mg 1.13 -1.26 -2.40 -0.160 0.51452E+04 38 carpholite-Fe -0.42 -4.97 -4.56 -0.304 0.97788E+04 39 celadonite 1.86 -0.00 -1.86 -0.109 0.39932E+04 40 celadonite-Fe 0.54 -3.71 -4.24 -0.250 0.91068E+04 41 chrysotile 17.17 14.85 -2.32 -0.193 0.49804E+04 46 chlorite-Al-free 33.96 29.71 -4.25 -0.177 0.91212E+04 47 chloritoid-Mg 4.36 1.15 -3.21 -0.214 0.68908E+04 48 chloritoid-Fe 1.21 -2.56 -3.77 -0.251 0.80880E+04 49 chloritoid-Mn 3.42 -0.96 -4.38 -0.292 0.94100E+04 51 coesite -1.91 -2.42 -0.51 -0.168 0.10850E+04 56 corundum 0.90 -3.00 -3.89 -0.354 0.83603E+04 58 cristobalite -2.14 -2.42 -0.27 -0.091 0.58345E+03 61 cymrite-K -0.69 -4.15 -3.46 -0.288 0.74206E+04 63 diaspore -0.24 -1.50 -1.26 -0.210 0.27072E+04 64 diamond -2.14 -4.58 -2.44 -0.698 0.52477E+04 65 diopside 11.58 10.83 -0.75 -0.075 0.16044E+04 66 hedenbergite 9.93 7.13 -2.80 -0.280 0.60176E+04 67 dolomite,ordered -2.33 -3.98 -1.65 -0.275 0.35463E+04 68 eastonite 13.29 8.40 -4.89 -0.188 0.10502E+05 69 enstatite 11.78 8.29 -3.48 -0.348 0.74779E+04 70 clinoenstatite-HiP 12.65 8.29 -4.36 -0.436 0.93568E+04 71 clinoenstatite 11.70 8.29 -3.41 -0.341 0.73158E+04 72 protoenstatite 12.17 8.29 -3.88 -0.388 0.83265E+04 73 epidote 12.33 9.51 -2.82 -0.137 0.60485E+04 74 clinozoisite 8.98 6.47 -2.52 -0.114 0.54034E+04 78 forsterite 14.76 10.71 -4.05 -0.579 0.87023E+04 81 gibbsite 1.06 -1.50 -2.55 -0.365 0.54812E+04 82 glaucophane 11.88 8.34 -3.55 -0.096 0.76121E+04 84 goethite 4.32 1.55 -2.77 -0.599 0.59466E+04 85 graphite -2.54 -4.58 -2.05 -0.585 0.43960E+04 88 halite 1.25 -3.13 -4.39 -2.194 0.94219E+04 89 hematite 7.94 3.09 -4.84 -0.587 0.10400E+05 90 heulandite -10.18 -10.80 -0.62 -0.028 0.13314E+04 94 jadeite 1.30 -0.84 -2.15 -0.215 0.46072E+04 96 kalsilite 3.88 0.68 -3.20 -0.457 0.68652E+04 97 kaolinite -5.82 -7.83 -2.01 -0.183 0.43151E+04 98 kyanite -1.83 -5.41 -3.58 -0.358 0.76887E+04 100 laumontite -2.76 -3.55 -0.79 -0.053 0.16945E+04 101 lawsonite 2.67 1.28 -1.39 -0.093 0.29888E+04 102 leucite 0.88 -1.73 -2.61 -0.261 0.56089E+04 104 lizardite 16.79 14.85 -1.94 -0.162 0.41641E+04 105 magnesite -1.09 -3.26 -2.17 -0.725 0.46667E+04 108 minnesotaite-Mg 14.03 10.02 -4.01 -0.236 0.86014E+04 112 margarite 2.30 -1.72 -4.02 -0.161 0.86279E+04 116 monticellite 18.02 13.25 -4.77 -0.682 0.10250E+05 119 muscovite -5.30 -7.14 -1.84 -0.108 0.39464E+04 120 paragonite -4.16 -6.25 -2.10 -0.123 0.44996E+04 121 nepheline 4.30 1.57 -2.73 -0.390 0.58633E+04 133 phlogopite-Na 18.82 16.43 -2.39 -0.133 0.51304E+04 135 prehnite 9.36 7.96 -1.39 -0.082 0.29889E+04 136 prehnite-Fe 13.60 11.01 -2.59 -0.156 0.55629E+04 137 pumpellyite-Fe 22.23 17.29 -4.94 -0.110 0.10609E+05 138 pumpellyite-Mg 24.43 20.99 -3.44 -0.076 0.73755E+04 140 px-Ca-tschermaks 8.64 3.69 -4.95 -0.354 0.10629E+05 141 pyrite -19.61 -20.79 -1.18 -0.278 0.25354E+04 142 pyrrhotite -5.21 -7.66 -2.45 -0.817 0.52603E+04 143 pyrrhotiteFe0.875 -6.53 -8.34 -1.81 -0.666 0.38887E+04 144 pyroxmangite 5.28 2.04 -3.24 -0.648 0.69521E+04 145 pyrophyllite -10.19 -12.66 -2.46 -0.154 0.52858E+04 151 rhodochrosite -2.03 -5.37 -3.34 -1.113 0.71675E+04 152 rhodonite 5.30 2.04 -3.26 -0.653 0.70047E+04 153 sanidine -3.18 -4.15 -0.96 -0.074 0.20680E+04 155 siderite -3.74 -6.97 -3.23 -1.076 0.69296E+04 156 sillimanite -1.65 -5.41 -3.76 -0.376 0.80643E+04 163 stilbite -9.89 -10.80 -0.91 -0.043 0.19475E+04 165 stilpnomelane-Mg 13.54 12.79 -0.75 -0.022 0.16172E+04 166 stishovite 2.31 -2.42 -4.73 -1.576 0.10149E+05 169 sulfur -8.67 -13.13 -4.47 -1.374 0.95882E+04 171 talc 10.82 10.02 -0.79 -0.047 0.16997E+04 178 topaz-H -1.34 -5.41 -4.07 -0.370 0.87474E+04 179 tridymite -2.18 -2.42 -0.24 -0.080 0.51499E+03 180 tremolite 33.11 31.69 -1.42 -0.038 0.30451E+04 182 troilite-low -5.27 -7.66 -2.39 -0.796 0.51274E+04 188 wairakite -2.72 -3.55 -0.83 -0.049 0.17902E+04 189 walstromite 8.77 6.69 -2.08 -0.416 0.44682E+04 190 wollastonite 7.95 6.69 -1.26 -0.252 0.27003E+04 191 pseudo-wollastonite 8.32 6.69 -1.64 -0.327 0.35100E+04 192 zoisite 9.03 6.47 -2.56 -0.116 0.54921E+04 193 beidellite-Ca -7.64 -10.85 -3.21 -0.199 0.68964E+04 194 beidellite-H -8.07 -12.35 -4.28 -0.273 0.91921E+04 195 beidellite-K -7.16 -10.84 -3.67 -0.225 0.78831E+04 196 beidellite-Mg -7.85 -11.27 -3.42 -0.211 0.73385E+04 197 beidellite-Na -7.09 -10.54 -3.46 -0.212 0.74240E+04 200 chalcedony -2.27 -2.42 -0.15 -0.050 0.32032E+03 201 chalcocite -22.27 -23.62 -1.35 -0.337 0.28896E+04 202 covellite -16.44 -18.38 -1.94 -0.739 0.41626E+04 204 montmorillonite-Ca -6.59 -8.49 -1.91 -0.118 0.40919E+04 205 montmorillonite-K -6.22 -8.48 -2.26 -0.139 0.48568E+04 206 montmorillonite-Mg -6.83 -8.91 -2.08 -0.129 0.44693E+04 207 montmorillonite-Na -6.08 -8.19 -2.11 -0.129 0.45299E+04 209 nontronite-Ca -0.04 -4.76 -4.72 -0.306 0.10135E+05 212 nontronite-Mg -0.25 -5.18 -4.93 -0.320 0.10581E+05 213 nontronite-Na 0.51 -4.46 -4.97 -0.319 0.10664E+05 229 tobermorite 8.61 5.17 -3.45 -0.940 0.73971E+04 235 alabandite -2.31 -6.06 -3.75 -1.249 0.80407E+04 240 boehmite 0.81 -1.50 -2.31 -0.385 0.49545E+04 242 chalcopyrite -25.16 -26.03 -0.87 -0.162 0.18657E+04 245 copper,native -1.59 -5.24 -3.65 -1.271 0.78419E+04 246 dolomite,disordered -1.90 -3.98 -2.08 -0.347 0.44753E+04 247 ferrous-oxide 6.73 2.86 -3.87 -0.968 0.83141E+04 248 fluorite -10.73 -12.35 -1.61 -0.537 0.34586E+04 257 silica-amorphous -1.79 -2.42 -0.62 -0.208 0.13392E+04 260 sphalerite -9.98 -10.05 -0.07 -0.025 0.15961E+03 261 wurtzite -8.52 -10.05 -1.53 -0.510 0.32842E+04 263 an20ab80 -1.68 -2.35 -0.67 -0.052 0.14426E+04 264 an25ab75 -1.39 -2.12 -0.74 -0.057 0.15840E+04 265 an30ab70 -1.09 -1.90 -0.81 -0.062 0.17360E+04 266 tr.625ac.25prg.125 29.40 26.97 -2.44 -0.066 0.52310E+04 271 FeS-amorphous -3.76 -7.66 -3.89 -1.298 0.83598E+04 Calculations done for 196.0000 Deg. C; 14.2721 bar Enthalpies: Pure water 3.6032 kcal/mole H2O,gas 12.0499 kcal/mole CO2,gas 2.2414 kcal/mole CH4,gas 2.1757 kcal/mole Current solution 159.9276 Gas 136.6029 kcal Total current enthalpy 296.5306 kcal Starting enthalpy 296.5306 kcal Temperature changed by -2.000 degrees to 194.000 degrees C. Solids and gases carried ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ Test file for CHIM-XPT. Boil Broadlands Water Water similar to Broadlands Well No. 2 CHIMRUN demo-2a ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ Number of loops used = 11 Loop limit = 200 Temperature = 194.00 C Pressure = 13.67 bar Mixer fraction = 0.0000000 Total current enthalpy = 296.5306 KCAL Water: Moles liquid = 0.4418E+02 kg liquid = 0.7959E+00 Moles total = 0.5551E+02 kg total = 0.1000E+01 Activity = 1.0000 Stoichiometric ionic strength = .4287794E-01 Osmotic coef. = 0.9173 True ionic strength = .4107220E-01 Chg. balance for total moles = 0.2402E-07 Max. difference allowed = 0.3072E-05 Log Log Log Species(n) Molality Molality Activity Activity Gamma Gamma 1 H+ 0.11345E-06 -6.9452 0.84616E-07 -7.0725 0.74586E+00 -0.1273 2 H2O 0.99997E+00 -0.0000 0.99997E+00 -0.0000 3 Cl- 0.37739E-01 -1.4232 0.27804E-01 -1.5559 0.73675E+00 -0.1327 4 SO4-- 0.45752E-06 -6.3396 0.14637E-06 -6.8346 0.31992E+00 -0.4950 5 HCO3- 0.23519E-02 -2.6286 0.17417E-02 -2.7590 0.74058E+00 -0.1304 6 HS- 0.47852E-03 -3.3201 0.35275E-03 -3.4525 0.73716E+00 -0.1324 7 H4SiO4 0.37592E-02 -2.4249 0.37592E-02 -2.4249 0.10000E+01 0.0000 8 Al+++ 0.28155E-21 -21.5504 0.21318E-22 -22.6713 0.75715E-01 -1.1208 9 Ca++ 0.31181E-04 -4.5061 0.97743E-05 -5.0099 0.31347E+00 -0.5038 10 Mg++ 0.93466E-07 -7.0293 0.28866E-07 -7.5396 0.30884E+00 -0.5103 11 Fe++ 0.15889E-10 -10.7989 0.49252E-11 -11.3076 0.30997E+00 -0.5087 12 K+ 0.46531E-02 -2.3323 0.34506E-02 -2.4621 0.74155E+00 -0.1299 13 Na+ 0.36310E-01 -1.4400 0.26756E-01 -1.5726 0.73686E+00 -0.1326 14 Mn++ 0.70968E-09 -9.1489 0.22058E-09 -9.6564 0.31082E+00 -0.5075 15 Zn++ 0.76423E-13 -13.1168 0.23689E-13 -13.6255 0.30997E+00 -0.5087 16 Cu+ 0.29699E-13 -13.5273 0.21880E-13 -13.6599 0.73673E+00 -0.1327 17 Pb++ 0.24601E-13 -13.6091 0.77828E-14 -14.1089 0.31637E+00 -0.4998 18 Hg++ 0.14463E-35 -35.8398 0.45556E-36 -36.3415 0.31499E+00 -0.5017 19 F- 0.29966E-03 -3.5234 0.21873E-03 -3.6601 0.72993E+00 -0.1367 21 HSiO3- 0.81905E-04 -4.0867 0.60344E-04 -4.2194 0.73675E+00 -0.1327 22 Ca(HSiO3)+ 0.12087E-06 -6.9177 0.89692E-07 -7.0472 0.74206E+00 -0.1296 23 Mg(HSiO3)+ 0.30568E-09 -9.5147 0.22683E-09 -9.6443 0.74206E+00 -0.1296 24 NaHSiO3,aq 0.16797E-04 -4.7748 0.16797E-04 -4.7748 0.10000E+01 0.0000 27 HAlO2,aq 0.52880E-08 -8.2767 0.52880E-08 -8.2767 0.10000E+01 0.0000 28 AlO2- 0.15423E-05 -5.8118 0.11274E-05 -5.9479 0.73098E+00 -0.1361 29 CH4,aq 0.44991E-05 -5.3469 0.44397E-05 -5.3526 0.98680E+00 -0.0058 34 CO,aq 0.60483E-09 -9.2184 0.60483E-09 -9.2184 0.10000E+01 0.0000 35 CO2,aq 0.16972E-02 -2.7703 0.16748E-02 -2.7760 0.98680E+00 -0.0058 36 CO3-2 0.24269E-05 -5.6150 0.77144E-06 -6.1127 0.31787E+00 -0.4977 37 CaCO3,aq 0.15669E-05 -5.8049 0.15669E-05 -5.8049 0.10000E+01 0.0000 38 Ca(HCO3)+ 0.47269E-05 -5.3254 0.35076E-05 -5.4550 0.74206E+00 -0.1296 39 CaCl+ 0.52644E-05 -5.2787 0.39065E-05 -5.4082 0.74206E+00 -0.1296 40 CaCl2,aq 0.42101E-07 -7.3757 0.42101E-07 -7.3757 0.10000E+01 0.0000 41 CaF+ 0.40186E-06 -6.3959 0.29821E-06 -6.5255 0.74206E+00 -0.1296 42 CaOH+ 0.14400E-05 -5.8416 0.10686E-05 -5.9712 0.74206E+00 -0.1296 43 CaSO4,aq 0.32990E-08 -8.4816 0.32990E-08 -8.4816 0.10000E+01 0.0000 44 HCl,aq 0.15026E-08 -8.8232 0.15026E-08 -8.8232 0.10000E+01 0.0000 61 HF,aq 0.11533E-05 -5.9381 0.11533E-05 -5.9381 0.10000E+01 0.0000 62 HF2- 0.11319E-09 -9.9462 0.83394E-10 -10.0789 0.73675E+00 -0.1327 69 FeO,aq 0.37229E-10 -10.4291 0.37229E-10 -10.4291 0.10000E+01 0.0000 70 FeOH+ 0.75277E-10 -10.1233 0.55860E-10 -10.2529 0.74206E+00 -0.1296 71 HFeO2- 0.19599E-10 -10.7078 0.14440E-10 -10.8404 0.73675E+00 -0.1327 74 FeO2- 0.13578E-10 -10.8672 0.10004E-10 -10.9998 0.73675E+00 -0.1327 76 H2,aq 0.95393E-05 -5.0205 0.94134E-05 -5.0263 0.98680E+00 -0.0058 77 Hg,aq 0.20349E-10 -10.6914 0.20081E-10 -10.6972 0.98680E+00 -0.0058 90 KCl,aq 0.13809E-04 -4.8598 0.13809E-04 -4.8598 0.10000E+01 0.0000 92 KOH,aq 0.37535E-06 -6.4256 0.37535E-06 -6.4256 0.10000E+01 0.0000 93 KSO4- 0.50674E-07 -7.2952 0.37335E-07 -7.4279 0.73675E+00 -0.1327 94 MgCO3,aq 0.66718E-09 -9.1758 0.66718E-09 -9.1758 0.10000E+01 0.0000 95 Mg(HCO3)+ 0.13597E-07 -7.8665 0.10090E-07 -7.9961 0.74206E+00 -0.1296 96 MgCl+ 0.92597E-08 -8.0334 0.68713E-08 -8.1630 0.74206E+00 -0.1296 97 MgF+ 0.35774E-08 -8.4464 0.26546E-08 -8.5760 0.74206E+00 -0.1296 98 MgOH+ 0.14848E-07 -7.8283 0.11018E-07 -7.9579 0.74206E+00 -0.1296 101 MnO,aq 0.50875E-10 -10.2935 0.50875E-10 -10.2935 0.10000E+01 0.0000 102 MnOH+ 0.44742E-09 -9.3493 0.33201E-09 -9.4788 0.74206E+00 -0.1296 107 MnCl+ 0.10328E-08 -8.9860 0.76641E-09 -9.1155 0.74206E+00 -0.1296 109 NaCl,aq 0.84046E-03 -3.0755 0.84046E-03 -3.0755 0.10000E+01 0.0000 110 NaF,aq 0.51931E-05 -5.2846 0.51931E-05 -5.2846 0.10000E+01 0.0000 111 NaOH,aq 0.20787E-05 -5.6822 0.20787E-05 -5.6822 0.10000E+01 0.0000 113 OH- 0.78682E-04 -4.1041 0.57514E-04 -4.2402 0.73098E+00 -0.1361 124 Pb(HS)2,aq 0.26636E-08 -8.5745 0.26636E-08 -8.5745 0.10000E+01 0.0000 125 Pb(HS)3- 0.28338E-10 -10.5476 0.20878E-10 -10.6803 0.73675E+00 -0.1327 126 H2S,aq 0.17466E-03 -3.7578 0.17236E-03 -3.7636 0.98680E+00 -0.0058 127 S2-2 0.10672E-09 -9.9718 0.33923E-10 -10.4695 0.31787E+00 -0.4977 135 HSO4- 0.39669E-09 -9.4015 0.29513E-09 -9.5300 0.74399E+00 -0.1284 153 ZnO,aq 0.21357E-10 -10.6705 0.21357E-10 -10.6705 0.10000E+01 0.0000 154 ZnOH+ 0.27412E-09 -9.5621 0.20341E-09 -9.6916 0.74206E+00 -0.1296 164 Cu(HS)2- 0.35070E-07 -7.4551 0.25838E-07 -7.5877 0.73675E+00 -0.1327 166 CuH4S3-b 0.17571E-09 -9.7552 0.12945E-09 -9.8879 0.73675E+00 -0.1327 179 MgSO4,aq 0.36531E-10 -10.4373 0.36531E-10 -10.4373 0.10000E+01 0.0000 180 MnCl2,aq 0.23184E-09 -9.6348 0.23184E-09 -9.6348 0.10000E+01 0.0000 181 MnCl3- 0.36752E-10 -10.4347 0.27077E-10 -10.5674 0.73675E+00 -0.1327 182 MnCO3,aq 0.89736E-09 -9.0470 0.89736E-09 -9.0470 0.10000E+01 0.0000 183 NaCO3- 0.11134E-05 -5.9534 0.82030E-06 -6.0860 0.73675E+00 -0.1327 184 NaHCO3,aq 0.46927E-04 -4.3286 0.46927E-04 -4.3286 0.10000E+01 0.0000 185 NaHS,aq 0.95039E-05 -5.0221 0.95039E-05 -5.0221 0.10000E+01 0.0000 186 NaSO4- 0.11313E-06 -6.9464 0.83348E-07 -7.0791 0.73675E+00 -0.1327 187 PbCO3,aq 0.27111E-09 -9.5669 0.27111E-09 -9.5669 0.10000E+01 0.0000 188 PbOH+ 0.18280E-10 -10.7380 0.13565E-10 -10.8676 0.74206E+00 -0.1296 193 Zn(HS)2,aq 0.18441E-07 -7.7342 0.18441E-07 -7.7342 0.10000E+01 0.0000 194 Zn(HS)3- 0.47916E-09 -9.3195 0.35302E-09 -9.4522 0.73675E+00 -0.1327 Charge balance for all species = 0.3018E-07 Component Molality Aq.molality ppm log[A(N)/A(H+)**Z] (total) 1 H+ 0.1134474E-06 0.1678075E-02 0.1686295E+01 0.0000 2 H2O 0.1000000E+01 0.5550655E+02 0.9969498E+06 0.0000 3 Cl- 0.3773878E-01 0.3859842E-01 0.1364300E+04 5.5167 4 SO4-- 0.4575182E-06 -.6258953E-05 -.5994308E+00 7.3105 5 HCO3- 0.2351860E-02 0.4110372E-02 0.2500466E+03 4.3135 6 HS- 0.4785194E-03 0.6696851E-03 0.2208100E+02 3.6200 7 H4SiO4 0.3759226E-02 0.3858050E-02 0.3696990E+03 -2.4249 8 Al+++ 0.2815545E-21 0.1547556E-05 0.4162938E-01 -1.4536 9 Ca++ 0.3118096E-04 0.4474728E-04 0.1787970E+01 9.1352 10 Mg++ 0.9346618E-07 0.1357583E-06 0.3290596E-02 6.6055 11 Fe++ 0.1588946E-10 0.1703716E-09 0.9486030E-05 2.8375 12 K+ 0.4653144E-02 0.4667379E-02 0.1819532E+03 4.6104 13 Na+ 0.3631026E-01 0.3723244E-01 0.8533835E+03 5.5000 14 Mn++ 0.7096801E-09 0.3414124E-08 0.1869991E-03 4.4887 15 Zn++ 0.7642250E-13 0.1922372E-07 0.1252862E-02 0.5196 16 Cu+ 0.2969922E-13 0.3525239E-07 0.2233178E-02 -6.5874 17 Pb++ 0.2460059E-13 0.2986740E-08 0.6169553E-03 0.0362 18 Hg++ 0.1446257E-35 0.2064788E-10 0.4129261E-05 -22.1964 19 F- 0.2996553E-03 0.3064073E-03 0.5803561E+01 3.4125 Component Tot moles Aq. moles Solid moles Gas moles 1 H+ 0.1822172E+00 0.1335566E-02 -.4322096E-05 0.1808860E+00 2 H2O 0.5550825E+02 0.4417722E+02 -.9567264E-02 0.1134060E+02 3 Cl- 0.3072017E-01 0.3072017E-01 0.0000000E+00 0.2568566E-09 4 SO4-- -.4257700E-02 -.4981450E-05 0.8579251E-09 -.4252719E-02 5 HCO3- 0.1832100E+00 0.3271412E-02 0.0000000E+00 0.1799386E+00 6 HS- 0.9985820E-02 0.5329970E-03 0.3531856E-07 0.9452787E-02 7 H4SiO4 0.7855346E-02 0.3070590E-02 0.4784755E-02 0.0000000E+00 8 Al+++ 0.2253680E-05 0.1231687E-05 0.1021993E-05 0.0000000E+00 9 Ca++ 0.3561400E-04 0.3561400E-04 0.0000000E+00 0.0000000E+00 10 Mg++ 0.2355503E-06 0.1080489E-06 0.1275013E-06 0.0000000E+00 11 Fe++ 0.8017372E-08 0.1355973E-09 0.7881775E-08 0.0000000E+00 12 K+ 0.3715700E-02 0.3714729E-02 0.9705758E-06 0.0000000E+00 13 Na+ 0.2963300E-01 0.2963300E-01 0.0000000E+00 0.0000000E+00 14 Mn++ 0.2740424E-08 0.2717273E-08 0.2315045E-10 0.0000000E+00 15 Zn++ 0.1530000E-07 0.1530000E-07 0.0000000E+00 0.0000000E+00 16 Cu+ 0.6237410E-07 0.2805709E-07 0.3431701E-07 0.0000000E+00 17 Pb++ 0.1110000E-07 0.2377122E-08 0.8722878E-08 0.0000000E+00 18 Hg++ 0.4000000E-08 0.1643348E-10 0.0000000E+00 0.3983567E-08 19 F- 0.2439100E-03 0.2438671E-03 0.0000000E+00 0.4291361E-07 Chg. balance for solid moles: 0.1793E-16 Mass of aqueous solution: 0.798301E+03 g Temperature = 194.00 C Pressure = 13.67 bar Mixer frac. = 0.0000000 Log Log Vol Gas or mineral Moles Moles Grams Grams Wt.% (cm3) H2O,gas 11.51 1.061 207.3 2.317 96.27 0.2986E+05 CO2,gas 0.1771 -0.752 7.792 0.892 3.619 519.3 CH4,gas 0.2888E-02 -2.539 0.4632E-01 -1.334 0.2151E-01 8.868 H2,gas 0.5459E-02 -2.263 0.1103E-01 -1.958 0.5121E-02 15.60 H2S,gas 0.5200E-02 -2.284 0.1772 -0.751 0.8231E-01 14.36 CO,gas 0.3463E-06 -6.461 0.9700E-05 -5.013 0.4505E-05 0.9838E-03 SO2,gas 0.2637E-13 -13.579 0.1689E-11 -11.772 0.7846E-12 0.7492E-10 HF,gas 0.4291E-07 -7.367 0.8583E-06 -6.066 0.3986E-06 0.1219E-03 HCl,gas 0.2569E-09 -9.590 0.9365E-08 -8.028 0.4350E-08 0.7297E-06 Hg,gas 0.3984E-08 -8.400 0.7991E-06 -6.097 0.3711E-06 0.1132E-04 clinochlore 0.2550E-07 -7.593 0.1417E-04 -4.849 0.4929E-02 0.5391E-05 daphnite 0.2037E-09 -9.691 0.1453E-06 -6.838 0.5053E-04 0.4404E-07 chlorite-Mn 0.4630E-11 -11.334 0.3283E-08 -8.484 0.1141E-05 0.1046E-08 microcline 0.9706E-06 -6.013 0.2702E-03 -3.568 0.9394E-01 0.1055E-03 quartz 0.4782E-02 -2.320 0.2873 -0.542 99.90 0.1085 bornite 0.6863E-08 -8.163 0.3444E-05 -5.463 0.1198E-02 0.6776E-06 galena 0.8723E-08 -8.059 0.2087E-05 -5.680 0.7257E-03 0.2747E-06 Partial press. Fugacity coef Log fugacity Gas or Mineral Mole fraction or activity Activity coef Log activity H2O,gas 0.9837E+00 0.1345E+02 0.9209 1.093 CO2,gas 0.1513E-01 0.2069E+00 1.0188 -0.676 CH4,gas 0.2468E-03 0.3375E-02 1.0756 -2.440 H2,gas 0.4666E-03 0.6379E-02 1.0058 -2.193 H2S,gas 0.4445E-03 0.6076E-02 0.9723 -2.229 CO,gas 0.2960E-07 0.4046E-06 1.0000 -6.393 SO2,gas 0.2254E-14 0.3082E-13 1.0000 -13.511 HF,gas 0.3668E-08 0.5015E-07 1.0000 -7.300 HCl,gas 0.2195E-10 0.3001E-09 1.0000 -9.523 Hg,gas 0.3405E-09 0.4655E-08 1.0000 -8.332 clinochlore 0.9919E+00 0.9919E+00 1.0000 -0.004 daphnite 0.7922E-02 0.7922E-02 1.0000 -2.101 chlorite-Mn 0.1801E-03 0.1801E-03 1.0000 -3.744 microcline 0.1000E+01 0.1000E+01 1.0000 0.000 quartz 0.1000E+01 0.1000E+01 1.0000 0.000 bornite 0.1000E+01 0.1000E+01 1.0000 0.000 galena 0.1000E+01 0.1000E+01 1.0000 0.000 Current weight percent of gas: 21.235795 % Solid products produced: Mass = 0.287579 g Volume = 0.108605 cm3 WARNING: mineral volume may be in error because some mineral densities were not supplied in SOLTHERM. See mineral list in file Skip_Species.txt. NON-Ideal mixing with H2O, CO2, CH4 Gases ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ The following gases and minerals are presently in matrix or were just added Gas or Mineral Log K Log Q Log(Q/K) Log(Q/K)/S Affinity Log Fugacity 1 H2O,gas 0.04 0.04 -0.00 -0.000 0.31982E-09 2 CO2,gas -8.02 -8.02 0.00 0.000 -0.11771E-09 3 CH4,gas 4.20 4.20 0.00 0.000 -0.29808E-09 4 H2,gas 5.94 5.94 0.00 0.000 -0.24681E-10 5 H2S,gas -7.16 -7.16 -0.00 -0.000 0.10062E-09 6 CO,gas 0.31 0.31 0.00 0.000 -0.47464E-12 7 SO2,gas -3.72 -3.72 -0.00 -0.000 0.37971E-11 8 HF,gas -2.30 -2.30 0.00 0.000 -0.37971E-11 9 HCl,gas 2.03 2.03 0.00 0.000 -0.18986E-11 10 Hg,gas -10.11 -10.11 -0.00 -0.000 0.37971E-11 43 clinochlore 22.86 22.86 -0.00 -0.000 0.75943E-11 44 daphnite 14.51 14.51 0.00 0.000 -0.11391E-10 45 chlorite-Mn 30.98 30.98 -0.00 -0.000 0.22783E-10 115 microcline -4.12 -4.12 -0.00 -0.000 0.37971E-11 146 quartz -2.42 -2.42 0.00 0.000 0.00000E+00 198 bornite -73.51 -73.51 0.00 0.000 -0.30377E-10 249 galena -10.49 -10.49 0.00 0.000 0.00000E+00 The following gases and minerals are presently EXCLUDED from matrix (Gases and minerals with log(Q/K) less than -5 are not listed below) Gas or Mineral Log K Log Q Log(Q/K) Log(Q/K)/S Affinity Log Fugacity 11 acmite 5.78 2.18 -3.60 -0.374 0.76989E+04 15 albite-high -2.02 -3.23 -1.21 -0.093 0.25916E+04 16 albite -2.70 -3.23 -0.53 -0.041 0.11338E+04 20 analcite 0.44 -0.80 -1.24 -0.138 0.26609E+04 21 andalusite -1.71 -5.33 -3.62 -0.362 0.77334E+04 23 grossular 19.86 17.22 -2.64 -0.132 0.56401E+04 24 anhydrite -7.13 -11.84 -4.71 -2.355 0.10067E+05 25 ankerite -4.49 -7.69 -3.20 -0.533 0.68397E+04 27 phlogopite 17.18 15.70 -1.49 -0.083 0.31759E+04 29 anorthite 3.80 1.38 -2.42 -0.186 0.51798E+04 32 aragonite -0.32 -0.70 -0.37 -0.124 0.79410E+03 33 brucite 9.56 6.61 -2.95 -0.591 0.63143E+04 34 calcite -0.48 -0.70 -0.22 -0.072 0.46439E+03 35 carnegieite-low 4.95 1.62 -3.32 -0.475 0.71046E+04 36 carnegieite-high 5.64 1.62 -4.01 -0.573 0.85798E+04 37 carpholite-Mg 1.26 -1.15 -2.41 -0.161 0.51546E+04 38 carpholite-Fe -0.29 -4.92 -4.63 -0.309 0.98921E+04 39 celadonite 1.92 0.06 -1.86 -0.109 0.39674E+04 40 celadonite-Fe 0.59 -3.71 -4.30 -0.253 0.91889E+04 41 chrysotile 17.28 14.97 -2.32 -0.193 0.49552E+04 46 chlorite-Al-free 34.17 29.93 -4.24 -0.177 0.90656E+04 47 chloritoid-Mg 4.51 1.27 -3.24 -0.216 0.69230E+04 48 chloritoid-Fe 1.35 -2.49 -3.84 -0.256 0.82186E+04 49 chloritoid-Mn 3.56 -0.84 -4.41 -0.294 0.94174E+04 51 coesite -1.92 -2.42 -0.51 -0.169 0.10841E+04 56 corundum 1.03 -2.91 -3.94 -0.358 0.84131E+04 58 cristobalite -2.15 -2.42 -0.27 -0.091 0.58618E+03 61 cymrite-K -0.65 -4.12 -3.47 -0.289 0.74136E+04 63 diaspore -0.18 -1.45 -1.27 -0.212 0.27165E+04 64 diamond -2.15 -4.60 -2.45 -0.700 0.52381E+04 65 diopside 11.66 10.89 -0.77 -0.077 0.16417E+04 66 hedenbergite 10.00 7.12 -2.88 -0.288 0.61590E+04 67 dolomite,ordered -2.27 -3.92 -1.65 -0.275 0.35267E+04 68 eastonite 13.55 8.61 -4.94 -0.190 0.10552E+05 69 enstatite 11.87 8.36 -3.51 -0.351 0.74946E+04 70 clinoenstatite-HiP 12.75 8.36 -4.38 -0.438 0.93733E+04 71 clinoenstatite 11.79 8.36 -3.43 -0.343 0.73326E+04 72 protoenstatite 12.27 8.36 -3.90 -0.390 0.83454E+04 73 epidote 12.54 9.62 -2.92 -0.142 0.62467E+04 74 clinozoisite 9.22 6.63 -2.59 -0.118 0.55317E+04 78 forsterite 14.87 10.79 -4.08 -0.583 0.87206E+04 81 gibbsite 1.11 -1.45 -2.56 -0.366 0.54735E+04 82 glaucophane 12.07 8.51 -3.56 -0.096 0.76111E+04 84 goethite 4.35 1.53 -2.82 -0.610 0.60315E+04 85 graphite -2.55 -4.60 -2.05 -0.587 0.43881E+04 88 halite 1.26 -3.13 -4.39 -2.196 0.93901E+04 89 hematite 8.02 3.06 -4.96 -0.601 0.10592E+05 90 heulandite -10.11 -10.75 -0.64 -0.029 0.13696E+04 94 jadeite 1.35 -0.80 -2.16 -0.216 0.46104E+04 96 kalsilite 3.94 0.73 -3.21 -0.459 0.68683E+04 97 kaolinite -5.74 -7.76 -2.02 -0.183 0.43146E+04 98 kyanite -1.71 -5.33 -3.62 -0.362 0.77370E+04 100 laumontite -2.67 -3.47 -0.80 -0.054 0.17193E+04 101 lawsonite 2.79 1.38 -1.41 -0.094 0.30165E+04 102 leucite 0.94 -1.69 -2.63 -0.263 0.56204E+04 104 lizardite 16.90 14.97 -1.93 -0.161 0.41323E+04 105 magnesite -1.05 -3.23 -2.17 -0.724 0.46434E+04 108 minnesotaite-Mg 14.14 10.12 -4.02 -0.237 0.85973E+04 112 margarite 2.56 -1.53 -4.09 -0.164 0.87419E+04 116 monticellite 18.13 13.32 -4.81 -0.688 0.10290E+05 119 muscovite -5.17 -7.03 -1.86 -0.109 0.39724E+04 120 paragonite -4.01 -6.14 -2.12 -0.125 0.45392E+04 121 nepheline 4.37 1.62 -2.75 -0.393 0.58796E+04 133 phlogopite-Na 19.00 16.59 -2.41 -0.134 0.51508E+04 135 prehnite 9.53 8.09 -1.44 -0.085 0.30800E+04 136 prehnite-Fe 13.75 11.07 -2.68 -0.161 0.57282E+04 138 pumpellyite-Mg 24.85 21.33 -3.52 -0.078 0.75301E+04 141 pyrite -19.62 -20.83 -1.21 -0.284 0.25805E+04 142 pyrrhotite -5.18 -7.69 -2.50 -0.835 0.53540E+04 143 pyrrhotiteFe0.875 -6.51 -8.37 -1.86 -0.682 0.39667E+04 144 pyroxmangite 5.31 2.06 -3.25 -0.649 0.69415E+04 145 pyrophyllite -10.12 -12.61 -2.48 -0.155 0.53083E+04 151 rhodochrosite -2.01 -5.34 -3.33 -1.111 0.71243E+04 152 rhodonite 5.34 2.06 -3.27 -0.654 0.69945E+04 153 sanidine -3.15 -4.12 -0.97 -0.074 0.20681E+04 155 siderite -3.72 -6.99 -3.28 -1.093 0.70082E+04 156 sillimanite -1.53 -5.33 -3.80 -0.380 0.81185E+04 163 stilbite -9.85 -10.75 -0.89 -0.043 0.19116E+04 165 stilpnomelane-Mg 13.77 13.03 -0.75 -0.022 0.15984E+04 166 stishovite 2.32 -2.42 -4.74 -1.581 0.10140E+05 169 sulfur -8.67 -13.14 -4.47 -1.376 0.95616E+04 171 talc 10.91 10.12 -0.79 -0.047 0.16936E+04 178 topaz-H -1.23 -5.33 -4.10 -0.373 0.87632E+04 179 tridymite -2.18 -2.42 -0.24 -0.081 0.51703E+03 180 tremolite 33.36 31.90 -1.46 -0.039 0.31171E+04 182 troilite-low -5.25 -7.69 -2.44 -0.814 0.52185E+04 188 wairakite -2.60 -3.47 -0.87 -0.051 0.18529E+04 189 walstromite 8.82 6.71 -2.11 -0.421 0.45000E+04 190 wollastonite 7.99 6.71 -1.28 -0.256 0.27316E+04 191 pseudo-wollastonite 8.37 6.71 -1.66 -0.332 0.35434E+04 192 zoisite 9.26 6.63 -2.63 -0.120 0.56204E+04 193 beidellite-Ca -7.53 -10.78 -3.24 -0.201 0.69350E+04 194 beidellite-H -7.97 -12.29 -4.31 -0.275 0.92230E+04 195 beidellite-K -7.07 -10.76 -3.70 -0.227 0.79065E+04 196 beidellite-Mg -7.75 -11.20 -3.45 -0.213 0.73738E+04 197 beidellite-Na -6.99 -10.47 -3.49 -0.213 0.74520E+04 200 chalcedony -2.28 -2.42 -0.15 -0.050 0.32027E+03 201 chalcocite -22.36 -23.70 -1.34 -0.334 0.28594E+04 202 covellite -16.49 -18.42 -1.93 -0.735 0.41267E+04 204 montmorillonite-Ca -6.51 -8.44 -1.93 -0.119 0.41168E+04 205 montmorillonite-K -6.15 -8.43 -2.28 -0.139 0.48691E+04 206 montmorillonite-Mg -6.76 -8.86 -2.10 -0.130 0.44899E+04 207 montmorillonite-Na -6.01 -8.13 -2.13 -0.130 0.45437E+04 209 nontronite-Ca 0.01 -4.81 -4.82 -0.313 0.10313E+05 229 tobermorite 8.63 5.18 -3.45 -0.941 0.73709E+04 235 alabandite -2.29 -6.04 -3.75 -1.250 0.80184E+04 240 boehmite 0.87 -1.45 -2.33 -0.388 0.49714E+04 242 chalcopyrite -25.21 -26.11 -0.90 -0.167 0.19238E+04 245 copper,native -1.62 -5.28 -3.66 -1.274 0.78316E+04 246 dolomite,disordered -1.84 -3.92 -2.09 -0.348 0.44612E+04 247 ferrous-oxide 6.78 2.84 -3.94 -0.986 0.84296E+04 248 fluorite -10.71 -12.33 -1.62 -0.540 0.34629E+04 257 silica-amorphous -1.80 -2.42 -0.63 -0.209 0.13430E+04 260 sphalerite -9.98 -10.01 -0.03 -0.009 0.55805E+02 261 wurtzite -8.52 -10.01 -1.49 -0.496 0.31807E+04 263 an20ab80 -1.62 -2.31 -0.69 -0.053 0.14780E+04 264 an25ab75 -1.32 -2.08 -0.76 -0.058 0.16236E+04 265 an30ab70 -1.01 -1.85 -0.83 -0.064 0.17797E+04 266 tr.625ac.25prg.125 29.67 27.11 -2.56 -0.069 0.54665E+04 271 FeS-amorphous -3.75 -7.69 -3.94 -1.312 0.84140E+04 Calculations done for 194.0000 Deg. C; 13.6715 bar Enthalpies: Pure water 3.5651 kcal/mole H2O,gas 12.0454 kcal/mole CO2,gas 2.2049 kcal/mole CH4,gas 2.1405 kcal/mole Current solution 157.4994 Gas 139.0312 kcal Total current enthalpy 296.5306 kcal Starting enthalpy 296.5306 kcal Temperature changed by -2.000 degrees to 192.000 degrees C. Solids and gases carried ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ Test file for CHIM-XPT. Boil Broadlands Water Water similar to Broadlands Well No. 2 CHIMRUN demo-2a ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ Number of loops used = 11 Loop limit = 200 Temperature = 192.00 C Pressure = 13.09 bar Mixer fraction = 0.0000000 Total current enthalpy = 296.5306 KCAL Water: Moles liquid = 0.4397E+02 kg liquid = 0.7922E+00 Moles total = 0.5551E+02 kg total = 0.1000E+01 Activity = 1.0000 Stoichiometric ionic strength = .4301545E-01 Osmotic coef. = 0.9178 True ionic strength = .4128465E-01 Chg. balance for total moles = 0.2402E-07 Max. difference allowed = 0.3072E-05 Log Log Log Species(n) Molality Molality Activity Activity Gamma Gamma 1 H+ 0.11034E-06 -6.9573 0.82407E-07 -7.0840 0.74685E+00 -0.1268 2 H2O 0.99997E+00 -0.0000 0.99997E+00 -0.0000 3 Cl- 0.37933E-01 -1.4210 0.27986E-01 -1.5531 0.73777E+00 -0.1321 4 SO4-- 0.49112E-06 -6.3088 0.15793E-06 -6.8015 0.32157E+00 -0.4927 5 HCO3- 0.23691E-02 -2.6254 0.17569E-02 -2.7553 0.74157E+00 -0.1298 6 HS- 0.47571E-03 -3.3227 0.35115E-03 -3.4545 0.73817E+00 -0.1318 7 H4SiO4 0.36752E-02 -2.4347 0.36752E-02 -2.4347 0.10000E+01 0.0000 8 Al+++ 0.28488E-21 -21.5453 0.21826E-22 -22.6610 0.76616E-01 -1.1157 9 Ca++ 0.31678E-04 -4.4992 0.99827E-05 -5.0008 0.31513E+00 -0.5015 10 Mg++ 0.97654E-07 -7.0103 0.30322E-07 -7.5182 0.31050E+00 -0.5079 11 Fe++ 0.14222E-10 -10.8470 0.44322E-11 -11.3534 0.31164E+00 -0.5064 12 K+ 0.46752E-02 -2.3302 0.34715E-02 -2.4595 0.74253E+00 -0.1293 13 Na+ 0.36499E-01 -1.4377 0.26932E-01 -1.5697 0.73787E+00 -0.1320 14 Mn++ 0.72715E-09 -9.1384 0.22722E-09 -9.6436 0.31248E+00 -0.5052 15 Zn++ 0.83001E-13 -13.0809 0.25866E-13 -13.5873 0.31164E+00 -0.5064 16 Cu+ 0.26775E-13 -13.5723 0.19753E-13 -13.7044 0.73774E+00 -0.1321 17 Pb++ 0.22790E-13 -13.6423 0.72477E-14 -14.1398 0.31802E+00 -0.4975 18 Hg++ 0.11964E-35 -35.9221 0.37884E-36 -36.4215 0.31665E+00 -0.4994 19 F- 0.30127E-03 -3.5210 0.22023E-03 -3.6571 0.73101E+00 -0.1361 21 HSiO3- 0.82695E-04 -4.0825 0.61010E-04 -4.2146 0.73777E+00 -0.1321 22 Ca(HSiO3)+ 0.11884E-06 -6.9250 0.88303E-07 -7.0540 0.74303E+00 -0.1290 23 Mg(HSiO3)+ 0.31144E-09 -9.5066 0.23141E-09 -9.6356 0.74303E+00 -0.1290 24 NaHSiO3,aq 0.17061E-04 -4.7680 0.17061E-04 -4.7680 0.10000E+01 0.0000 27 HAlO2,aq 0.50816E-08 -8.2940 0.50816E-08 -8.2940 0.10000E+01 0.0000 28 AlO2- 0.14659E-05 -5.8339 0.10731E-05 -5.9693 0.73205E+00 -0.1355 29 CH4,aq 0.41639E-05 -5.3805 0.41087E-05 -5.3863 0.98675E+00 -0.0058 34 CO,aq 0.51835E-09 -9.2854 0.51835E-09 -9.2854 0.10000E+01 0.0000 35 CO2,aq 0.15920E-02 -2.7981 0.15709E-02 -2.8038 0.98675E+00 -0.0058 36 CO3-2 0.25735E-05 -5.5895 0.82232E-06 -6.0850 0.31953E+00 -0.4955 37 CaCO3,aq 0.15930E-05 -5.7978 0.15930E-05 -5.7978 0.10000E+01 0.0000 38 Ca(HCO3)+ 0.46152E-05 -5.3358 0.34293E-05 -5.4648 0.74303E+00 -0.1290 39 CaCl+ 0.51271E-05 -5.2901 0.38096E-05 -5.4191 0.74303E+00 -0.1290 40 CaCl2,aq 0.40467E-07 -7.3929 0.40467E-07 -7.3929 0.10000E+01 0.0000 41 CaF+ 0.39062E-06 -6.4082 0.29024E-06 -6.5372 0.74303E+00 -0.1290 42 CaOH+ 0.13884E-05 -5.8575 0.10316E-05 -5.9865 0.74303E+00 -0.1290 43 CaSO4,aq 0.34485E-08 -8.4624 0.34485E-08 -8.4624 0.10000E+01 0.0000 44 HCl,aq 0.14160E-08 -8.8489 0.14160E-08 -8.8489 0.10000E+01 0.0000 61 HF,aq 0.10766E-05 -5.9679 0.10766E-05 -5.9679 0.10000E+01 0.0000 62 HF2- 0.10658E-09 -9.9723 0.78633E-10 -10.1044 0.73777E+00 -0.1321 69 FeO,aq 0.31179E-10 -10.5061 0.31179E-10 -10.5061 0.10000E+01 0.0000 70 FeOH+ 0.65470E-10 -10.1840 0.48647E-10 -10.3129 0.74303E+00 -0.1290 71 HFeO2- 0.16610E-10 -10.7796 0.12255E-10 -10.9117 0.73777E+00 -0.1321 74 FeO2- 0.11303E-10 -10.9468 0.83391E-11 -11.0789 0.73777E+00 -0.1321 76 H2,aq 0.87664E-05 -5.0572 0.86503E-05 -5.0630 0.98675E+00 -0.0058 77 Hg,aq 0.18812E-10 -10.7256 0.18563E-10 -10.7314 0.98675E+00 -0.0058 90 KCl,aq 0.13388E-04 -4.8733 0.13388E-04 -4.8733 0.10000E+01 0.0000 92 KOH,aq 0.37031E-06 -6.4314 0.37031E-06 -6.4314 0.10000E+01 0.0000 93 KSO4- 0.52806E-07 -7.2773 0.38959E-07 -7.4094 0.73777E+00 -0.1321 94 MgCO3,aq 0.70469E-09 -9.1520 0.70469E-09 -9.1520 0.10000E+01 0.0000 95 Mg(HCO3)+ 0.13681E-07 -7.8639 0.10165E-07 -7.9929 0.74303E+00 -0.1290 96 MgCl+ 0.93478E-08 -8.0293 0.69457E-08 -8.1583 0.74303E+00 -0.1290 97 MgF+ 0.35908E-08 -8.4448 0.26681E-08 -8.5738 0.74303E+00 -0.1290 98 MgOH+ 0.14808E-07 -7.8295 0.11003E-07 -7.9585 0.74303E+00 -0.1290 101 MnO,aq 0.48780E-10 -10.3118 0.48780E-10 -10.3118 0.10000E+01 0.0000 102 MnOH+ 0.44328E-09 -9.3533 0.32937E-09 -9.4823 0.74303E+00 -0.1290 107 MnCl+ 0.99980E-09 -9.0001 0.74289E-09 -9.1291 0.74303E+00 -0.1290 109 NaCl,aq 0.82614E-03 -3.0829 0.82614E-03 -3.0829 0.10000E+01 0.0000 110 NaF,aq 0.50984E-05 -5.2926 0.50984E-05 -5.2926 0.10000E+01 0.0000 111 NaOH,aq 0.20615E-05 -5.6858 0.20615E-05 -5.6858 0.10000E+01 0.0000 113 OH- 0.78770E-04 -4.1036 0.57663E-04 -4.2391 0.73205E+00 -0.1355 124 Pb(HS)2,aq 0.24302E-08 -8.6144 0.24302E-08 -8.6144 0.10000E+01 0.0000 125 Pb(HS)3- 0.25300E-10 -10.5969 0.18666E-10 -10.7290 0.73777E+00 -0.1321 126 H2S,aq 0.16463E-03 -3.7835 0.16245E-03 -3.7893 0.98675E+00 -0.0058 127 S2-2 0.10474E-09 -9.9799 0.33469E-10 -10.4754 0.31953E+00 -0.4955 135 HSO4- 0.38834E-09 -9.4108 0.28930E-09 -9.5387 0.74496E+00 -0.1279 153 ZnO,aq 0.21947E-10 -10.6586 0.21947E-10 -10.6586 0.10000E+01 0.0000 154 ZnOH+ 0.28280E-09 -9.5485 0.21013E-09 -9.6775 0.74303E+00 -0.1290 164 Cu(HS)2- 0.34121E-07 -7.4670 0.25173E-07 -7.5991 0.73777E+00 -0.1321 166 CuH4S3-b 0.18279E-09 -9.7381 0.13485E-09 -9.8701 0.73777E+00 -0.1321 179 MgSO4,aq 0.39463E-10 -10.4038 0.39463E-10 -10.4038 0.10000E+01 0.0000 180 MnCl2,aq 0.21643E-09 -9.6647 0.21643E-09 -9.6647 0.10000E+01 0.0000 181 MnCl3- 0.34029E-10 -10.4682 0.25106E-10 -10.6002 0.73777E+00 -0.1321 182 MnCO3,aq 0.95443E-09 -9.0203 0.95443E-09 -9.0203 0.10000E+01 0.0000 183 NaCO3- 0.11611E-05 -5.9351 0.85666E-06 -6.0672 0.73777E+00 -0.1321 184 NaHCO3,aq 0.45664E-04 -4.3404 0.45664E-04 -4.3404 0.10000E+01 0.0000 185 NaHS,aq 0.91272E-05 -5.0397 0.91272E-05 -5.0397 0.10000E+01 0.0000 186 NaSO4- 0.11978E-06 -6.9216 0.88368E-07 -7.0537 0.73777E+00 -0.1321 187 PbCO3,aq 0.25899E-09 -9.5867 0.25899E-09 -9.5867 0.10000E+01 0.0000 188 PbOH+ 0.16768E-10 -10.7755 0.12459E-10 -10.9045 0.74303E+00 -0.1290 193 Zn(HS)2,aq 0.18510E-07 -7.7326 0.18510E-07 -7.7326 0.10000E+01 0.0000 194 Zn(HS)3- 0.49026E-09 -9.3096 0.36170E-09 -9.4417 0.73777E+00 -0.1321 Charge balance for all species = 0.3032E-07 Component Molality Aq.molality ppm log[A(N)/A(H+)**Z] (total) 1 H+ 0.1103404E-06 0.1561943E-02 0.1569596E+01 -0.0000 2 H2O 0.1000000E+01 0.5550666E+02 0.9969525E+06 0.0000 3 Cl- 0.3793329E-01 0.3877804E-01 0.1370651E+04 5.5310 4 SO4-- 0.4911157E-06 -.5688043E-05 -.5447542E+00 7.3665 5 HCO3- 0.2369102E-02 0.4020898E-02 0.2446038E+03 4.3288 6 HS- 0.4757086E-03 0.6559298E-03 0.2162747E+02 3.6295 7 H4SiO4 0.3675228E-02 0.3775103E-02 0.3617510E+03 -2.4347 8 Al+++ 0.2848780E-21 0.1471018E-05 0.3957054E-01 -1.4089 9 Ca++ 0.3167836E-04 0.4495552E-04 0.1796292E+01 9.1673 10 Mg++ 0.9765367E-07 0.1401365E-06 0.3396721E-02 6.6498 11 Fe++ 0.1422225E-10 0.1462940E-09 0.8145436E-05 2.8147 12 K+ 0.4675203E-02 0.4689015E-02 0.1827967E+03 4.6245 13 Na+ 0.3649928E-01 0.3740571E-01 0.8573556E+03 5.5143 14 Mn++ 0.7271532E-09 0.3431189E-08 0.1879340E-03 4.5245 15 Zn++ 0.8300062E-13 0.1931318E-07 0.1258694E-02 0.5808 16 Cu+ 0.2677458E-13 0.3431008E-07 0.2173486E-02 -6.6203 17 Pb++ 0.2279022E-13 0.2736129E-08 0.5651884E-03 0.0283 18 Hg++ 0.1196415E-35 0.1910278E-10 0.3820268E-05 -22.2535 19 F- 0.3012667E-03 0.3078362E-03 0.5830629E+01 3.4269 Component Tot moles Aq. moles Solid moles Gas moles 1 H+ 0.1822172E+00 0.1237380E-02 -.4583166E-05 0.1809844E+00 2 H2O 0.5550825E+02 0.4397266E+02 -.9727005E-02 0.1154532E+02 3 Cl- 0.3072017E-01 0.3072017E-01 0.0000000E+00 0.2389137E-09 4 SO4-- -.4257700E-02 -.4506097E-05 0.8798369E-09 -.4253195E-02 5 HCO3- 0.1832100E+00 0.3185376E-02 0.0000000E+00 0.1800246E+00 6 HS- 0.9985820E-02 0.5196310E-03 0.3620737E-07 0.9466153E-02 7 H4SiO4 0.7855346E-02 0.2990656E-02 0.4864689E-02 0.0000000E+00 8 Al+++ 0.2253680E-05 0.1165348E-05 0.1088332E-05 0.0000000E+00 9 Ca++ 0.3561400E-04 0.3561400E-04 0.0000000E+00 0.0000000E+00 10 Mg++ 0.2355503E-06 0.1110169E-06 0.1245334E-06 0.0000000E+00 11 Fe++ 0.8017372E-08 0.1158949E-09 0.7901477E-08 0.0000000E+00 12 K+ 0.3715700E-02 0.3714662E-02 0.1038165E-05 0.0000000E+00 13 Na+ 0.2963300E-01 0.2963300E-01 0.0000000E+00 0.0000000E+00 14 Mn++ 0.2740424E-08 0.2718206E-08 0.2221759E-10 0.0000000E+00 15 Zn++ 0.1530000E-07 0.1530000E-07 0.0000000E+00 0.0000000E+00 16 Cu+ 0.6237410E-07 0.2718062E-07 0.3519348E-07 0.0000000E+00 17 Pb++ 0.1110000E-07 0.2167576E-08 0.8932424E-08 0.0000000E+00 18 Hg++ 0.4000000E-08 0.1513332E-10 0.0000000E+00 0.3984867E-08 19 F- 0.2439100E-03 0.2438694E-03 0.0000000E+00 0.4059052E-07 Chg. balance for solid moles: 0.3935E-17 Mass of aqueous solution: 0.794602E+03 g Temperature = 192.00 C Pressure = 13.09 bar Mixer frac. = 0.0000000 Log Log Vol Gas or mineral Moles Moles Grams Grams Wt.% (cm3) H2O,gas 11.71 1.069 211.0 2.324 96.33 0.3169E+05 CO2,gas 0.1771 -0.752 7.795 0.892 3.559 539.9 CH4,gas 0.2898E-02 -2.538 0.4649E-01 -1.333 0.2123E-01 9.234 H2,gas 0.5420E-02 -2.266 0.1095E-01 -1.961 0.4999E-02 16.10 H2S,gas 0.5213E-02 -2.283 0.1777 -0.750 0.8112E-01 14.99 CO,gas 0.3227E-06 -6.491 0.9038E-05 -5.044 0.4127E-05 0.9533E-03 SO2,gas 0.2367E-13 -13.626 0.1516E-11 -11.819 0.6923E-12 0.6992E-10 HF,gas 0.4059E-07 -7.392 0.8118E-06 -6.091 0.3707E-06 0.1199E-03 HCl,gas 0.2389E-09 -9.622 0.8711E-08 -8.060 0.3977E-08 0.7059E-06 Hg,gas 0.3985E-08 -8.400 0.7993E-06 -6.097 0.3650E-06 0.1177E-04 clinochlore 0.2491E-07 -7.604 0.1384E-04 -4.859 0.4735E-02 0.5266E-05 daphnite 0.1726E-09 -9.763 0.1231E-06 -6.910 0.4211E-04 0.3731E-07 chlorite-Mn 0.4444E-11 -11.352 0.3150E-08 -8.502 0.1077E-05 0.1004E-08 microcline 0.1038E-05 -5.984 0.2890E-03 -3.539 0.9883E-01 0.1129E-03 quartz 0.4861E-02 -2.313 0.2921 -0.534 99.89 0.1103 bornite 0.7039E-08 -8.153 0.3532E-05 -5.452 0.1208E-02 0.6949E-06 galena 0.8932E-08 -8.049 0.2137E-05 -5.670 0.7309E-03 0.2813E-06 Partial press. Fugacity coef Log fugacity Gas or Mineral Mole fraction or activity Activity coef Log activity H2O,gas 0.9840E+00 0.1288E+02 0.9229 1.075 CO2,gas 0.1488E-01 0.1948E+00 1.0190 -0.702 CH4,gas 0.2434E-03 0.3187E-02 1.0736 -2.466 H2,gas 0.4553E-03 0.5959E-02 1.0056 -2.222 H2S,gas 0.4379E-03 0.5732E-02 0.9731 -2.254 CO,gas 0.2710E-07 0.3548E-06 1.0000 -6.450 SO2,gas 0.1988E-14 0.2602E-13 1.0000 -13.585 HF,gas 0.3410E-08 0.4463E-07 1.0000 -7.350 HCl,gas 0.2007E-10 0.2627E-09 1.0000 -9.581 Hg,gas 0.3347E-09 0.4382E-08 1.0000 -8.358 clinochlore 0.9929E+00 0.9929E+00 1.0000 -0.003 daphnite 0.6879E-02 0.6879E-02 1.0000 -2.162 chlorite-Mn 0.1771E-03 0.1771E-03 1.0000 -3.752 microcline 0.1000E+01 0.1000E+01 1.0000 0.000 quartz 0.1000E+01 0.1000E+01 1.0000 0.000 bornite 0.1000E+01 0.1000E+01 1.0000 0.000 galena 0.1000E+01 0.1000E+01 1.0000 0.000 Current weight percent of gas: 21.600018 % Solid products produced: Mass = 0.292388 g Volume = 0.110421 cm3 WARNING: mineral volume may be in error because some mineral densities were not supplied in SOLTHERM. See mineral list in file Skip_Species.txt. NON-Ideal mixing with H2O, CO2, CH4 Gases ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ The following gases and minerals are presently in matrix or were just added Gas or Mineral Log K Log Q Log(Q/K) Log(Q/K)/S Affinity Log Fugacity 1 H2O,gas 0.04 0.04 -0.00 -0.000 0.23839E-09 2 CO2,gas -8.02 -8.02 0.00 0.000 -0.90741E-10 3 CH4,gas 4.17 4.17 0.00 0.000 -0.21929E-09 4 H2,gas 5.95 5.95 0.00 0.000 -0.17014E-10 5 H2S,gas -7.17 -7.17 -0.00 -0.000 0.71837E-10 6 CO,gas 0.34 0.34 0.00 0.000 -0.28357E-11 7 SO2,gas -3.66 -3.66 0.00 0.000 -0.75618E-11 8 HF,gas -2.27 -2.27 0.00 0.000 -0.18904E-11 9 HCl,gas 2.06 2.06 0.00 0.000 -0.18904E-11 10 Hg,gas -10.17 -10.17 -0.00 -0.000 0.37809E-11 43 clinochlore 23.14 23.14 0.00 0.000 -0.75618E-11 44 daphnite 14.76 14.76 -0.00 -0.000 0.37809E-10 45 chlorite-Mn 31.26 31.26 -0.00 -0.000 0.52932E-10 115 microcline -4.09 -4.09 -0.00 -0.000 0.15124E-10 146 quartz -2.43 -2.43 0.00 0.000 0.00000E+00 198 bornite -73.75 -73.75 0.00 0.000 0.00000E+00 249 galena -10.51 -10.51 0.00 0.000 0.00000E+00 260 sphalerite -9.98 -9.96 0.02 0.007 -0.46308E+02 The following gases and minerals are presently EXCLUDED from matrix (Gases and minerals with log(Q/K) less than -5 are not listed below) Gas or Mineral Log K Log Q Log(Q/K) Log(Q/K)/S Affinity Log Fugacity 11 acmite 5.82 2.16 -3.66 -0.380 0.77893E+04 15 albite-high -1.97 -3.20 -1.23 -0.095 0.26176E+04 16 albite -2.66 -3.20 -0.54 -0.042 0.11517E+04 20 analcite 0.49 -0.76 -1.25 -0.139 0.26711E+04 21 andalusite -1.59 -5.25 -3.66 -0.366 0.77860E+04 23 grossular 20.09 17.38 -2.71 -0.135 0.57665E+04 24 anhydrite -7.09 -11.80 -4.71 -2.355 0.10025E+05 25 ankerite -4.44 -7.70 -3.26 -0.543 0.69325E+04 27 phlogopite 17.35 15.86 -1.49 -0.083 0.31791E+04 29 anorthite 3.96 1.48 -2.48 -0.191 0.52764E+04 32 aragonite -0.30 -0.67 -0.37 -0.125 0.79756E+03 33 brucite 9.61 6.65 -2.96 -0.592 0.63016E+04 34 calcite -0.45 -0.67 -0.22 -0.073 0.46910E+03 35 carnegieite-low 5.02 1.67 -3.35 -0.478 0.71202E+04 36 carnegieite-high 5.71 1.67 -4.04 -0.577 0.86028E+04 37 carpholite-Mg 1.39 -1.04 -2.43 -0.162 0.51639E+04 38 carpholite-Fe -0.17 -4.87 -4.70 -0.314 0.10014E+05 39 celadonite 1.98 0.13 -1.85 -0.109 0.39417E+04 40 celadonite-Fe 0.65 -3.71 -4.36 -0.256 0.92799E+04 41 chrysotile 17.40 15.08 -2.32 -0.193 0.49303E+04 46 chlorite-Al-free 34.39 30.16 -4.23 -0.176 0.90106E+04 47 chloritoid-Mg 4.66 1.40 -3.27 -0.218 0.69552E+04 48 chloritoid-Fe 1.49 -2.44 -3.93 -0.262 0.83578E+04 49 chloritoid-Mn 3.70 -0.73 -4.43 -0.295 0.94266E+04 51 coesite -1.93 -2.43 -0.51 -0.170 0.10832E+04 56 corundum 1.16 -2.82 -3.98 -0.362 0.84657E+04 58 cristobalite -2.16 -2.43 -0.28 -0.092 0.58893E+03 61 cymrite-K -0.61 -4.09 -3.48 -0.290 0.74067E+04 63 diaspore -0.13 -1.41 -1.28 -0.213 0.27257E+04 64 diamond -2.17 -4.62 -2.46 -0.702 0.52279E+04 65 diopside 11.74 10.95 -0.79 -0.079 0.16796E+04 66 hedenbergite 10.08 7.11 -2.96 -0.296 0.63098E+04 67 dolomite,ordered -2.21 -3.86 -1.65 -0.275 0.35067E+04 68 eastonite 13.81 8.83 -4.98 -0.192 0.10602E+05 69 enstatite 11.96 8.43 -3.53 -0.353 0.75115E+04 70 clinoenstatite-HiP 12.84 8.43 -4.41 -0.441 0.93901E+04 71 clinoenstatite 11.88 8.43 -3.45 -0.345 0.73496E+04 72 protoenstatite 12.36 8.43 -3.93 -0.393 0.83645E+04 73 epidote 12.76 9.72 -3.03 -0.147 0.64546E+04 74 clinozoisite 9.46 6.80 -2.66 -0.121 0.56608E+04 78 forsterite 14.97 10.86 -4.11 -0.587 0.87392E+04 81 gibbsite 1.16 -1.41 -2.57 -0.367 0.54659E+04 82 glaucophane 12.26 8.68 -3.58 -0.097 0.76106E+04 84 goethite 4.39 1.51 -2.88 -0.622 0.61253E+04 85 graphite -2.57 -4.62 -2.06 -0.588 0.43796E+04 88 halite 1.27 -3.12 -4.40 -2.198 0.93581E+04 90 heulandite -10.03 -10.69 -0.66 -0.030 0.14086E+04 94 jadeite 1.40 -0.76 -2.17 -0.217 0.46137E+04 96 kalsilite 4.01 0.78 -3.23 -0.461 0.68713E+04 97 kaolinite -5.66 -7.69 -2.03 -0.184 0.43141E+04 98 kyanite -1.59 -5.25 -3.66 -0.366 0.77851E+04 100 laumontite -2.57 -3.39 -0.82 -0.055 0.17445E+04 101 lawsonite 2.91 1.48 -1.43 -0.095 0.30445E+04 102 leucite 0.99 -1.65 -2.65 -0.265 0.56320E+04 104 lizardite 17.01 15.08 -1.93 -0.161 0.41009E+04 105 magnesite -1.02 -3.19 -2.17 -0.723 0.46197E+04 108 minnesotaite-Mg 14.25 10.21 -4.04 -0.237 0.85935E+04 112 margarite 2.82 -1.34 -4.16 -0.166 0.88561E+04 116 monticellite 18.24 13.38 -4.85 -0.693 0.10332E+05 119 muscovite -5.03 -6.91 -1.88 -0.110 0.39982E+04 120 paragonite -3.87 -6.02 -2.15 -0.127 0.45787E+04 121 nepheline 4.44 1.67 -2.77 -0.396 0.58961E+04 133 phlogopite-Na 19.18 16.75 -2.43 -0.135 0.51715E+04 135 prehnite 9.70 8.21 -1.49 -0.088 0.31720E+04 136 prehnite-Fe 13.91 11.13 -2.77 -0.167 0.59035E+04 138 pumpellyite-Mg 25.28 21.67 -3.61 -0.080 0.76863E+04 141 pyrite -19.63 -20.87 -1.24 -0.291 0.26335E+04 142 pyrrhotite -5.16 -7.72 -2.56 -0.854 0.54560E+04 143 pyrrhotiteFe0.875 -6.50 -8.40 -1.90 -0.700 0.40520E+04 144 pyroxmangite 5.35 2.09 -3.26 -0.651 0.69329E+04 145 pyrophyllite -10.05 -12.56 -2.50 -0.157 0.53307E+04 151 rhodochrosite -1.99 -5.31 -3.33 -1.109 0.70825E+04 152 rhodonite 5.37 2.09 -3.28 -0.656 0.69863E+04 153 sanidine -3.12 -4.09 -0.97 -0.075 0.20683E+04 155 siderite -3.69 -7.02 -3.33 -1.111 0.70951E+04 156 sillimanite -1.41 -5.25 -3.84 -0.384 0.81724E+04 163 stilbite -9.81 -10.69 -0.88 -0.042 0.18764E+04 165 stilpnomelane-Mg 14.01 13.27 -0.74 -0.022 0.15801E+04 166 stishovite 2.33 -2.43 -4.76 -1.587 0.10132E+05 169 sulfur -8.67 -13.15 -4.48 -1.378 0.95346E+04 171 talc 11.00 10.21 -0.79 -0.047 0.16878E+04 178 topaz-H -1.13 -5.25 -4.12 -0.375 0.87789E+04 179 tridymite -2.19 -2.43 -0.24 -0.081 0.51910E+03 180 tremolite 33.61 32.11 -1.50 -0.041 0.31906E+04 182 troilite-low -5.23 -7.72 -2.50 -0.833 0.53179E+04 188 wairakite -2.49 -3.39 -0.90 -0.053 0.19161E+04 189 walstromite 8.86 6.73 -2.13 -0.426 0.45325E+04 190 wollastonite 8.03 6.73 -1.30 -0.260 0.27634E+04 191 pseudo-wollastonite 8.41 6.73 -1.68 -0.336 0.35774E+04 192 zoisite 9.50 6.80 -2.70 -0.123 0.57494E+04 193 beidellite-Ca -7.43 -10.71 -3.28 -0.203 0.69735E+04 194 beidellite-H -7.87 -12.22 -4.35 -0.277 0.92536E+04 195 beidellite-K -6.97 -10.69 -3.73 -0.228 0.79296E+04 196 beidellite-Mg -7.64 -11.12 -3.48 -0.215 0.74088E+04 197 beidellite-Na -6.88 -10.40 -3.51 -0.215 0.74798E+04 200 chalcedony -2.28 -2.43 -0.15 -0.050 0.32023E+03 201 chalcocite -22.45 -23.78 -1.33 -0.332 0.28259E+04 202 covellite -16.54 -18.46 -1.92 -0.732 0.40889E+04 204 montmorillonite-Ca -6.44 -8.38 -1.95 -0.120 0.41416E+04 205 montmorillonite-K -6.08 -8.37 -2.29 -0.140 0.48812E+04 206 montmorillonite-Mg -6.68 -8.80 -2.12 -0.131 0.45104E+04 207 montmorillonite-Na -5.94 -8.08 -2.14 -0.131 0.45575E+04 209 nontronite-Ca 0.07 -4.87 -4.94 -0.320 0.10509E+05 229 tobermorite 8.65 5.20 -3.45 -0.942 0.73451E+04 235 alabandite -2.26 -6.01 -3.76 -1.252 0.79976E+04 240 boehmite 0.93 -1.41 -2.34 -0.391 0.49882E+04 242 chalcopyrite -25.25 -26.19 -0.93 -0.174 0.19884E+04 245 copper,native -1.64 -5.32 -3.67 -1.278 0.78199E+04 246 dolomite,disordered -1.77 -3.86 -2.09 -0.348 0.44469E+04 247 ferrous-oxide 6.83 2.81 -4.02 -1.005 0.85539E+04 248 fluorite -10.69 -12.31 -1.63 -0.543 0.34669E+04 257 silica-amorphous -1.80 -2.43 -0.63 -0.211 0.13469E+04 261 wurtzite -8.51 -9.96 -1.45 -0.482 0.30788E+04 263 an20ab80 -1.55 -2.26 -0.71 -0.055 0.15135E+04 264 an25ab75 -1.25 -2.03 -0.78 -0.060 0.16634E+04 265 an30ab70 -0.94 -1.80 -0.86 -0.066 0.18236E+04 266 tr.625ac.25prg.125 29.94 27.25 -2.68 -0.072 0.57146E+04 271 FeS-amorphous -3.74 -7.72 -3.98 -1.327 0.84765E+04 ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ Test file for CHIM-XPT. Boil Broadlands Water Water similar to Broadlands Well No. 2 CHIMRUN demo-2a ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ Number of loops used = 6 Loop limit = 200 Temperature = 192.00 C Pressure = 13.09 bar Mixer fraction = 0.0000000 Total current enthalpy = 296.5306 KCAL Water: Moles liquid = 0.4397E+02 kg liquid = 0.7922E+00 Moles total = 0.5551E+02 kg total = 0.1000E+01 Activity = 1.0000 Stoichiometric ionic strength = .4301545E-01 Osmotic coef. = 0.9178 True ionic strength = .4128465E-01 Chg. balance for total moles = 0.2402E-07 Max. difference allowed = 0.3072E-05 Log Log Log Species(n) Molality Molality Activity Activity Gamma Gamma 1 H+ 0.11034E-06 -6.9573 0.82407E-07 -7.0840 0.74685E+00 -0.1268 2 H2O 0.99997E+00 -0.0000 0.99997E+00 -0.0000 3 Cl- 0.37933E-01 -1.4210 0.27986E-01 -1.5531 0.73777E+00 -0.1321 4 SO4-- 0.49112E-06 -6.3088 0.15793E-06 -6.8015 0.32157E+00 -0.4927 5 HCO3- 0.23691E-02 -2.6254 0.17569E-02 -2.7553 0.74157E+00 -0.1298 6 HS- 0.47571E-03 -3.3227 0.35116E-03 -3.4545 0.73817E+00 -0.1318 7 H4SiO4 0.36752E-02 -2.4347 0.36752E-02 -2.4347 0.10000E+01 0.0000 8 Al+++ 0.28488E-21 -21.5453 0.21826E-22 -22.6610 0.76616E-01 -1.1157 9 Ca++ 0.31678E-04 -4.4992 0.99827E-05 -5.0008 0.31513E+00 -0.5015 10 Mg++ 0.97654E-07 -7.0103 0.30322E-07 -7.5182 0.31050E+00 -0.5079 11 Fe++ 0.14222E-10 -10.8470 0.44322E-11 -11.3534 0.31164E+00 -0.5064 12 K+ 0.46752E-02 -2.3302 0.34715E-02 -2.4595 0.74253E+00 -0.1293 13 Na+ 0.36499E-01 -1.4377 0.26932E-01 -1.5697 0.73787E+00 -0.1320 14 Mn++ 0.72715E-09 -9.1384 0.22722E-09 -9.6436 0.31248E+00 -0.5052 15 Zn++ 0.78945E-13 -13.1027 0.24602E-13 -13.6090 0.31164E+00 -0.5064 16 Cu+ 0.26775E-13 -13.5723 0.19753E-13 -13.7044 0.73774E+00 -0.1321 17 Pb++ 0.22790E-13 -13.6423 0.72477E-14 -14.1398 0.31802E+00 -0.4975 18 Hg++ 0.11964E-35 -35.9221 0.37884E-36 -36.4215 0.31665E+00 -0.4994 19 F- 0.30127E-03 -3.5210 0.22023E-03 -3.6571 0.73101E+00 -0.1361 21 HSiO3- 0.82695E-04 -4.0825 0.61010E-04 -4.2146 0.73777E+00 -0.1321 22 Ca(HSiO3)+ 0.11884E-06 -6.9250 0.88303E-07 -7.0540 0.74303E+00 -0.1290 23 Mg(HSiO3)+ 0.31144E-09 -9.5066 0.23141E-09 -9.6356 0.74303E+00 -0.1290 24 NaHSiO3,aq 0.17061E-04 -4.7680 0.17061E-04 -4.7680 0.10000E+01 0.0000 27 HAlO2,aq 0.50816E-08 -8.2940 0.50816E-08 -8.2940 0.10000E+01 0.0000 28 AlO2- 0.14659E-05 -5.8339 0.10731E-05 -5.9693 0.73205E+00 -0.1355 29 CH4,aq 0.41639E-05 -5.3805 0.41087E-05 -5.3863 0.98675E+00 -0.0058 34 CO,aq 0.51835E-09 -9.2854 0.51835E-09 -9.2854 0.10000E+01 0.0000 35 CO2,aq 0.15920E-02 -2.7981 0.15709E-02 -2.8038 0.98675E+00 -0.0058 36 CO3-2 0.25735E-05 -5.5895 0.82232E-06 -6.0850 0.31953E+00 -0.4955 37 CaCO3,aq 0.15930E-05 -5.7978 0.15930E-05 -5.7978 0.10000E+01 0.0000 38 Ca(HCO3)+ 0.46152E-05 -5.3358 0.34293E-05 -5.4648 0.74303E+00 -0.1290 39 CaCl+ 0.51271E-05 -5.2901 0.38096E-05 -5.4191 0.74303E+00 -0.1290 40 CaCl2,aq 0.40467E-07 -7.3929 0.40467E-07 -7.3929 0.10000E+01 0.0000 41 CaF+ 0.39062E-06 -6.4082 0.29024E-06 -6.5372 0.74303E+00 -0.1290 42 CaOH+ 0.13884E-05 -5.8575 0.10316E-05 -5.9865 0.74303E+00 -0.1290 43 CaSO4,aq 0.34485E-08 -8.4624 0.34485E-08 -8.4624 0.10000E+01 0.0000 44 HCl,aq 0.14160E-08 -8.8489 0.14160E-08 -8.8489 0.10000E+01 0.0000 61 HF,aq 0.10766E-05 -5.9679 0.10766E-05 -5.9679 0.10000E+01 0.0000 62 HF2- 0.10658E-09 -9.9723 0.78633E-10 -10.1044 0.73777E+00 -0.1321 69 FeO,aq 0.31179E-10 -10.5061 0.31179E-10 -10.5061 0.10000E+01 0.0000 70 FeOH+ 0.65470E-10 -10.1840 0.48647E-10 -10.3129 0.74303E+00 -0.1290 71 HFeO2- 0.16610E-10 -10.7796 0.12255E-10 -10.9117 0.73777E+00 -0.1321 74 FeO2- 0.11303E-10 -10.9468 0.83391E-11 -11.0789 0.73777E+00 -0.1321 76 H2,aq 0.87664E-05 -5.0572 0.86503E-05 -5.0630 0.98675E+00 -0.0058 77 Hg,aq 0.18812E-10 -10.7256 0.18563E-10 -10.7314 0.98675E+00 -0.0058 90 KCl,aq 0.13388E-04 -4.8733 0.13388E-04 -4.8733 0.10000E+01 0.0000 92 KOH,aq 0.37031E-06 -6.4314 0.37031E-06 -6.4314 0.10000E+01 0.0000 93 KSO4- 0.52806E-07 -7.2773 0.38959E-07 -7.4094 0.73777E+00 -0.1321 94 MgCO3,aq 0.70469E-09 -9.1520 0.70469E-09 -9.1520 0.10000E+01 0.0000 95 Mg(HCO3)+ 0.13681E-07 -7.8639 0.10165E-07 -7.9929 0.74303E+00 -0.1290 96 MgCl+ 0.93478E-08 -8.0293 0.69457E-08 -8.1583 0.74303E+00 -0.1290 97 MgF+ 0.35908E-08 -8.4448 0.26681E-08 -8.5738 0.74303E+00 -0.1290 98 MgOH+ 0.14808E-07 -7.8295 0.11003E-07 -7.9585 0.74303E+00 -0.1290 101 MnO,aq 0.48780E-10 -10.3118 0.48780E-10 -10.3118 0.10000E+01 0.0000 102 MnOH+ 0.44328E-09 -9.3533 0.32937E-09 -9.4823 0.74303E+00 -0.1290 107 MnCl+ 0.99980E-09 -9.0001 0.74289E-09 -9.1291 0.74303E+00 -0.1290 109 NaCl,aq 0.82614E-03 -3.0829 0.82614E-03 -3.0829 0.10000E+01 0.0000 110 NaF,aq 0.50984E-05 -5.2926 0.50984E-05 -5.2926 0.10000E+01 0.0000 111 NaOH,aq 0.20615E-05 -5.6858 0.20615E-05 -5.6858 0.10000E+01 0.0000 113 OH- 0.78770E-04 -4.1036 0.57663E-04 -4.2391 0.73205E+00 -0.1355 124 Pb(HS)2,aq 0.24302E-08 -8.6144 0.24302E-08 -8.6144 0.10000E+01 0.0000 125 Pb(HS)3- 0.25300E-10 -10.5969 0.18666E-10 -10.7290 0.73777E+00 -0.1321 126 H2S,aq 0.16463E-03 -3.7835 0.16245E-03 -3.7893 0.98675E+00 -0.0058 127 S2-2 0.10475E-09 -9.9799 0.33469E-10 -10.4754 0.31953E+00 -0.4955 135 HSO4- 0.38834E-09 -9.4108 0.28930E-09 -9.5387 0.74496E+00 -0.1279 153 ZnO,aq 0.20875E-10 -10.6804 0.20875E-10 -10.6804 0.10000E+01 0.0000 154 ZnOH+ 0.26898E-09 -9.5703 0.19986E-09 -9.6993 0.74303E+00 -0.1290 164 Cu(HS)2- 0.34121E-07 -7.4670 0.25173E-07 -7.5991 0.73777E+00 -0.1321 166 CuH4S3-b 0.18279E-09 -9.7381 0.13485E-09 -9.8701 0.73777E+00 -0.1321 179 MgSO4,aq 0.39463E-10 -10.4038 0.39463E-10 -10.4038 0.10000E+01 0.0000 180 MnCl2,aq 0.21643E-09 -9.6647 0.21643E-09 -9.6647 0.10000E+01 0.0000 181 MnCl3- 0.34029E-10 -10.4682 0.25106E-10 -10.6002 0.73777E+00 -0.1321 182 MnCO3,aq 0.95443E-09 -9.0203 0.95443E-09 -9.0203 0.10000E+01 0.0000 183 NaCO3- 0.11611E-05 -5.9351 0.85666E-06 -6.0672 0.73777E+00 -0.1321 184 NaHCO3,aq 0.45664E-04 -4.3404 0.45664E-04 -4.3404 0.10000E+01 0.0000 185 NaHS,aq 0.91272E-05 -5.0397 0.91272E-05 -5.0397 0.10000E+01 0.0000 186 NaSO4- 0.11978E-06 -6.9216 0.88368E-07 -7.0537 0.73777E+00 -0.1321 187 PbCO3,aq 0.25899E-09 -9.5867 0.25899E-09 -9.5867 0.10000E+01 0.0000 188 PbOH+ 0.16768E-10 -10.7755 0.12459E-10 -10.9045 0.74303E+00 -0.1290 193 Zn(HS)2,aq 0.17606E-07 -7.7544 0.17606E-07 -7.7544 0.10000E+01 0.0000 194 Zn(HS)3- 0.46630E-09 -9.3313 0.34402E-09 -9.4634 0.73777E+00 -0.1321 Charge balance for all species = 0.3032E-07 Component Molality Aq.molality ppm log[A(N)/A(H+)**Z] (total) 1 H+ 0.1103404E-06 0.1561943E-02 0.1569596E+01 0.0000 2 H2O 0.1000000E+01 0.5550666E+02 0.9969525E+06 0.0000 3 Cl- 0.3793329E-01 0.3877804E-01 0.1370651E+04 5.5310 4 SO4-- 0.4911158E-06 -.5688043E-05 -.5447542E+00 7.3665 5 HCO3- 0.2369102E-02 0.4020898E-02 0.2446038E+03 4.3288 6 HS- 0.4757087E-03 0.6559280E-03 0.2162741E+02 3.6295 7 H4SiO4 0.3675228E-02 0.3775103E-02 0.3617510E+03 -2.4347 8 Al+++ 0.2848781E-21 0.1471018E-05 0.3957054E-01 -1.4089 9 Ca++ 0.3167836E-04 0.4495552E-04 0.1796292E+01 9.1673 10 Mg++ 0.9765367E-07 0.1401365E-06 0.3396721E-02 6.6498 11 Fe++ 0.1422226E-10 0.1462941E-09 0.8145439E-05 2.8147 12 K+ 0.4675203E-02 0.4689015E-02 0.1827967E+03 4.6245 13 Na+ 0.3649928E-01 0.3740571E-01 0.8573556E+03 5.5143 14 Mn++ 0.7271532E-09 0.3431189E-08 0.1879340E-03 4.5245 15 Zn++ 0.7894501E-13 0.1836949E-07 0.1197191E-02 0.5590 16 Cu+ 0.2677458E-13 0.3431008E-07 0.2173486E-02 -6.6203 17 Pb++ 0.2279022E-13 0.2736129E-08 0.5651885E-03 0.0283 18 Hg++ 0.1196415E-35 0.1910278E-10 0.3820268E-05 -22.2535 19 F- 0.3012667E-03 0.3078362E-03 0.5830629E+01 3.4269 Component Tot moles Aq. moles Solid moles Gas moles 1 H+ 0.1822172E+00 0.1237380E-02 -.4583913E-05 0.1809844E+00 2 H2O 0.5550825E+02 0.4397266E+02 -.9727005E-02 0.1154532E+02 3 Cl- 0.3072017E-01 0.3072017E-01 0.0000000E+00 0.2389137E-09 4 SO4-- -.4257700E-02 -.4506097E-05 0.8798369E-09 -.4253195E-02 5 HCO3- 0.1832100E+00 0.3185376E-02 0.0000000E+00 0.1800246E+00 6 HS- 0.9985820E-02 0.5196296E-03 0.3695496E-07 0.9466153E-02 7 H4SiO4 0.7855346E-02 0.2990656E-02 0.4864689E-02 0.0000000E+00 8 Al+++ 0.2253680E-05 0.1165348E-05 0.1088332E-05 0.0000000E+00 9 Ca++ 0.3561400E-04 0.3561400E-04 0.0000000E+00 0.0000000E+00 10 Mg++ 0.2355503E-06 0.1110169E-06 0.1245334E-06 0.0000000E+00 11 Fe++ 0.8017372E-08 0.1158949E-09 0.7901477E-08 0.0000000E+00 12 K+ 0.3715700E-02 0.3714662E-02 0.1038165E-05 0.0000000E+00 13 Na+ 0.2963300E-01 0.2963300E-01 0.0000000E+00 0.0000000E+00 14 Mn++ 0.2740424E-08 0.2718206E-08 0.2221759E-10 0.0000000E+00 15 Zn++ 0.1530000E-07 0.1455241E-07 0.7475916E-09 0.0000000E+00 16 Cu+ 0.6237410E-07 0.2718063E-07 0.3519347E-07 0.0000000E+00 17 Pb++ 0.1110000E-07 0.2167576E-08 0.8932424E-08 0.0000000E+00 18 Hg++ 0.4000000E-08 0.1513332E-10 0.0000000E+00 0.3984867E-08 19 F- 0.2439100E-03 0.2438694E-03 0.0000000E+00 0.4059052E-07 Chg. balance for solid moles: 0.4214E-16 Mass of aqueous solution: 0.794602E+03 g Temperature = 192.00 C Pressure = 13.09 bar Mixer frac. = 0.0000000 Log Log Vol Gas or mineral Moles Moles Grams Grams Wt.% (cm3) H2O,gas 11.71 1.069 211.0 2.324 96.33 0.3169E+05 CO2,gas 0.1771 -0.752 7.795 0.892 3.559 539.9 CH4,gas 0.2898E-02 -2.538 0.4649E-01 -1.333 0.2123E-01 9.234 H2,gas 0.5420E-02 -2.266 0.1095E-01 -1.961 0.4999E-02 16.10 H2S,gas 0.5213E-02 -2.283 0.1777 -0.750 0.8112E-01 14.99 CO,gas 0.3227E-06 -6.491 0.9038E-05 -5.044 0.4127E-05 0.9533E-03 SO2,gas 0.2367E-13 -13.626 0.1516E-11 -11.819 0.6923E-12 0.6992E-10 HF,gas 0.4059E-07 -7.392 0.8118E-06 -6.091 0.3707E-06 0.1199E-03 HCl,gas 0.2389E-09 -9.622 0.8711E-08 -8.060 0.3977E-08 0.7059E-06 Hg,gas 0.3985E-08 -8.400 0.7993E-06 -6.097 0.3650E-06 0.1177E-04 clinochlore 0.2491E-07 -7.604 0.1384E-04 -4.859 0.4735E-02 0.5266E-05 daphnite 0.1726E-09 -9.763 0.1231E-06 -6.910 0.4211E-04 0.3731E-07 chlorite-Mn 0.4444E-11 -11.352 0.3150E-08 -8.502 0.1077E-05 0.1004E-08 microcline 0.1038E-05 -5.984 0.2890E-03 -3.539 0.9883E-01 0.1129E-03 quartz 0.4861E-02 -2.313 0.2921 -0.534 99.89 0.1103 bornite 0.7039E-08 -8.153 0.3532E-05 -5.452 0.1208E-02 0.6949E-06 galena 0.8932E-08 -8.049 0.2137E-05 -5.670 0.7309E-03 0.2813E-06 sphalerite 0.7476E-09 -9.126 0.7284E-07 -7.138 0.2491E-04 0.1781E-07 Partial press. Fugacity coef Log fugacity Gas or Mineral Mole fraction or activity Activity coef Log activity H2O,gas 0.9840E+00 0.1288E+02 0.9229 1.075 CO2,gas 0.1488E-01 0.1948E+00 1.0190 -0.702 CH4,gas 0.2434E-03 0.3187E-02 1.0736 -2.466 H2,gas 0.4553E-03 0.5959E-02 1.0056 -2.222 H2S,gas 0.4379E-03 0.5732E-02 0.9731 -2.254 CO,gas 0.2710E-07 0.3548E-06 1.0000 -6.450 SO2,gas 0.1988E-14 0.2602E-13 1.0000 -13.585 HF,gas 0.3410E-08 0.4463E-07 1.0000 -7.350 HCl,gas 0.2007E-10 0.2627E-09 1.0000 -9.581 Hg,gas 0.3347E-09 0.4382E-08 1.0000 -8.358 clinochlore 0.9929E+00 0.9929E+00 1.0000 -0.003 daphnite 0.6879E-02 0.6879E-02 1.0000 -2.162 chlorite-Mn 0.1771E-03 0.1771E-03 1.0000 -3.752 microcline 0.1000E+01 0.1000E+01 1.0000 0.000 quartz 0.1000E+01 0.1000E+01 1.0000 0.000 bornite 0.1000E+01 0.1000E+01 1.0000 0.000 galena 0.1000E+01 0.1000E+01 1.0000 0.000 sphalerite 0.1000E+01 0.1000E+01 1.0000 0.000 Current weight percent of gas: 21.600018 % Solid products produced: Mass = 0.292388 g Volume = 0.110421 cm3 WARNING: mineral volume may be in error because some mineral densities were not supplied in SOLTHERM. See mineral list in file Skip_Species.txt. NON-Ideal mixing with H2O, CO2, CH4 Gases ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ The following gases and minerals are presently in matrix or were just added Gas or Mineral Log K Log Q Log(Q/K) Log(Q/K)/S Affinity Log Fugacity 1 H2O,gas 0.04 0.04 0.00 0.000 -0.10338E-12 2 CO2,gas -8.02 -8.02 0.00 0.000 -0.37809E-11 3 CH4,gas 4.17 4.17 0.00 0.000 0.00000E+00 4 H2,gas 5.95 5.95 0.00 0.000 -0.18904E-11 5 H2S,gas -7.17 -7.17 -0.00 -0.000 0.37809E-11 6 CO,gas 0.34 0.34 -0.00 -0.000 0.18904E-11 7 SO2,gas -3.66 -3.66 0.00 0.000 0.00000E+00 8 HF,gas -2.27 -2.27 -0.00 -0.000 0.18904E-11 9 HCl,gas 2.06 2.06 -0.00 -0.000 0.28357E-11 10 Hg,gas -10.17 -10.17 0.00 0.000 -0.37809E-11 43 clinochlore 23.14 23.14 0.00 0.000 -0.75618E-11 44 daphnite 14.76 14.76 0.00 0.000 -0.49152E-10 45 chlorite-Mn 31.26 31.26 0.00 0.000 -0.45371E-10 115 microcline -4.09 -4.09 -0.00 -0.000 0.75618E-11 146 quartz -2.43 -2.43 0.00 0.000 0.00000E+00 198 bornite -73.75 -73.75 0.00 0.000 0.00000E+00 249 galena -10.51 -10.51 0.00 0.000 0.00000E+00 260 sphalerite -9.98 -9.98 -0.00 -0.000 0.75618E-11 The following gases and minerals are presently EXCLUDED from matrix (Gases and minerals with log(Q/K) less than -5 are not listed below) Gas or Mineral Log K Log Q Log(Q/K) Log(Q/K)/S Affinity Log Fugacity 11 acmite 5.82 2.16 -3.66 -0.380 0.77893E+04 15 albite-high -1.97 -3.20 -1.23 -0.095 0.26176E+04 16 albite -2.66 -3.20 -0.54 -0.042 0.11517E+04 20 analcite 0.49 -0.76 -1.25 -0.139 0.26711E+04 21 andalusite -1.59 -5.25 -3.66 -0.366 0.77860E+04 23 grossular 20.09 17.38 -2.71 -0.135 0.57665E+04 24 anhydrite -7.09 -11.80 -4.71 -2.355 0.10025E+05 25 ankerite -4.44 -7.70 -3.26 -0.543 0.69325E+04 27 phlogopite 17.35 15.86 -1.49 -0.083 0.31791E+04 29 anorthite 3.96 1.48 -2.48 -0.191 0.52764E+04 32 aragonite -0.30 -0.67 -0.37 -0.125 0.79756E+03 33 brucite 9.61 6.65 -2.96 -0.592 0.63016E+04 34 calcite -0.45 -0.67 -0.22 -0.073 0.46910E+03 35 carnegieite-low 5.02 1.67 -3.35 -0.478 0.71202E+04 36 carnegieite-high 5.71 1.67 -4.04 -0.577 0.86028E+04 37 carpholite-Mg 1.39 -1.04 -2.43 -0.162 0.51639E+04 38 carpholite-Fe -0.17 -4.87 -4.70 -0.314 0.10014E+05 39 celadonite 1.98 0.13 -1.85 -0.109 0.39417E+04 40 celadonite-Fe 0.65 -3.71 -4.36 -0.256 0.92799E+04 41 chrysotile 17.40 15.08 -2.32 -0.193 0.49303E+04 46 chlorite-Al-free 34.39 30.16 -4.23 -0.176 0.90106E+04 47 chloritoid-Mg 4.66 1.40 -3.27 -0.218 0.69552E+04 48 chloritoid-Fe 1.49 -2.44 -3.93 -0.262 0.83578E+04 49 chloritoid-Mn 3.70 -0.73 -4.43 -0.295 0.94266E+04 51 coesite -1.93 -2.43 -0.51 -0.170 0.10832E+04 56 corundum 1.16 -2.82 -3.98 -0.362 0.84657E+04 58 cristobalite -2.16 -2.43 -0.28 -0.092 0.58893E+03 61 cymrite-K -0.61 -4.09 -3.48 -0.290 0.74067E+04 63 diaspore -0.13 -1.41 -1.28 -0.213 0.27257E+04 64 diamond -2.17 -4.62 -2.46 -0.702 0.52279E+04 65 diopside 11.74 10.95 -0.79 -0.079 0.16796E+04 66 hedenbergite 10.08 7.11 -2.96 -0.296 0.63098E+04 67 dolomite,ordered -2.21 -3.86 -1.65 -0.275 0.35067E+04 68 eastonite 13.81 8.83 -4.98 -0.192 0.10602E+05 69 enstatite 11.96 8.43 -3.53 -0.353 0.75115E+04 70 clinoenstatite-HiP 12.84 8.43 -4.41 -0.441 0.93901E+04 71 clinoenstatite 11.88 8.43 -3.45 -0.345 0.73496E+04 72 protoenstatite 12.36 8.43 -3.93 -0.393 0.83645E+04 73 epidote 12.76 9.72 -3.03 -0.147 0.64546E+04 74 clinozoisite 9.46 6.80 -2.66 -0.121 0.56608E+04 78 forsterite 14.97 10.86 -4.11 -0.587 0.87392E+04 81 gibbsite 1.16 -1.41 -2.57 -0.367 0.54659E+04 82 glaucophane 12.26 8.68 -3.58 -0.097 0.76106E+04 84 goethite 4.39 1.51 -2.88 -0.622 0.61253E+04 85 graphite -2.57 -4.62 -2.06 -0.588 0.43796E+04 88 halite 1.27 -3.12 -4.40 -2.198 0.93581E+04 90 heulandite -10.03 -10.69 -0.66 -0.030 0.14086E+04 94 jadeite 1.40 -0.76 -2.17 -0.217 0.46137E+04 96 kalsilite 4.01 0.78 -3.23 -0.461 0.68713E+04 97 kaolinite -5.66 -7.69 -2.03 -0.184 0.43141E+04 98 kyanite -1.59 -5.25 -3.66 -0.366 0.77851E+04 100 laumontite -2.57 -3.39 -0.82 -0.055 0.17445E+04 101 lawsonite 2.91 1.48 -1.43 -0.095 0.30445E+04 102 leucite 0.99 -1.65 -2.65 -0.265 0.56320E+04 104 lizardite 17.01 15.08 -1.93 -0.161 0.41009E+04 105 magnesite -1.02 -3.19 -2.17 -0.723 0.46197E+04 108 minnesotaite-Mg 14.25 10.21 -4.04 -0.237 0.85935E+04 112 margarite 2.82 -1.34 -4.16 -0.166 0.88561E+04 116 monticellite 18.24 13.38 -4.85 -0.693 0.10332E+05 119 muscovite -5.03 -6.91 -1.88 -0.110 0.39982E+04 120 paragonite -3.87 -6.02 -2.15 -0.127 0.45787E+04 121 nepheline 4.44 1.67 -2.77 -0.396 0.58961E+04 133 phlogopite-Na 19.18 16.75 -2.43 -0.135 0.51715E+04 135 prehnite 9.70 8.21 -1.49 -0.088 0.31720E+04 136 prehnite-Fe 13.91 11.13 -2.77 -0.167 0.59035E+04 138 pumpellyite-Mg 25.28 21.67 -3.61 -0.080 0.76863E+04 141 pyrite -19.63 -20.87 -1.24 -0.291 0.26335E+04 142 pyrrhotite -5.16 -7.72 -2.56 -0.854 0.54560E+04 143 pyrrhotiteFe0.875 -6.50 -8.40 -1.90 -0.700 0.40520E+04 144 pyroxmangite 5.35 2.09 -3.26 -0.651 0.69329E+04 145 pyrophyllite -10.05 -12.56 -2.50 -0.157 0.53307E+04 151 rhodochrosite -1.99 -5.31 -3.33 -1.109 0.70825E+04 152 rhodonite 5.37 2.09 -3.28 -0.656 0.69863E+04 153 sanidine -3.12 -4.09 -0.97 -0.075 0.20683E+04 155 siderite -3.69 -7.02 -3.33 -1.111 0.70951E+04 156 sillimanite -1.41 -5.25 -3.84 -0.384 0.81724E+04 163 stilbite -9.81 -10.69 -0.88 -0.042 0.18764E+04 165 stilpnomelane-Mg 14.01 13.27 -0.74 -0.022 0.15801E+04 166 stishovite 2.33 -2.43 -4.76 -1.587 0.10132E+05 169 sulfur -8.67 -13.15 -4.48 -1.378 0.95346E+04 171 talc 11.00 10.21 -0.79 -0.047 0.16878E+04 178 topaz-H -1.13 -5.25 -4.12 -0.375 0.87789E+04 179 tridymite -2.19 -2.43 -0.24 -0.081 0.51910E+03 180 tremolite 33.61 32.11 -1.50 -0.041 0.31906E+04 182 troilite-low -5.23 -7.72 -2.50 -0.833 0.53179E+04 188 wairakite -2.49 -3.39 -0.90 -0.053 0.19161E+04 189 walstromite 8.86 6.73 -2.13 -0.426 0.45325E+04 190 wollastonite 8.03 6.73 -1.30 -0.260 0.27634E+04 191 pseudo-wollastonite 8.41 6.73 -1.68 -0.336 0.35774E+04 192 zoisite 9.50 6.80 -2.70 -0.123 0.57494E+04 193 beidellite-Ca -7.43 -10.71 -3.28 -0.203 0.69735E+04 194 beidellite-H -7.87 -12.22 -4.35 -0.277 0.92536E+04 195 beidellite-K -6.97 -10.69 -3.73 -0.228 0.79296E+04 196 beidellite-Mg -7.64 -11.12 -3.48 -0.215 0.74088E+04 197 beidellite-Na -6.88 -10.40 -3.51 -0.215 0.74798E+04 200 chalcedony -2.28 -2.43 -0.15 -0.050 0.32023E+03 201 chalcocite -22.45 -23.78 -1.33 -0.332 0.28259E+04 202 covellite -16.54 -18.46 -1.92 -0.732 0.40889E+04 204 montmorillonite-Ca -6.44 -8.38 -1.95 -0.120 0.41416E+04 205 montmorillonite-K -6.08 -8.37 -2.29 -0.140 0.48812E+04 206 montmorillonite-Mg -6.68 -8.80 -2.12 -0.131 0.45104E+04 207 montmorillonite-Na -5.94 -8.08 -2.14 -0.131 0.45575E+04 209 nontronite-Ca 0.07 -4.87 -4.94 -0.320 0.10509E+05 229 tobermorite 8.65 5.20 -3.45 -0.942 0.73451E+04 235 alabandite -2.26 -6.01 -3.76 -1.252 0.79976E+04 240 boehmite 0.93 -1.41 -2.34 -0.391 0.49882E+04 242 chalcopyrite -25.25 -26.19 -0.93 -0.174 0.19884E+04 245 copper,native -1.64 -5.32 -3.67 -1.278 0.78199E+04 246 dolomite,disordered -1.77 -3.86 -2.09 -0.348 0.44469E+04 247 ferrous-oxide 6.83 2.81 -4.02 -1.005 0.85539E+04 248 fluorite -10.69 -12.31 -1.63 -0.543 0.34669E+04 257 silica-amorphous -1.80 -2.43 -0.63 -0.211 0.13469E+04 261 wurtzite -8.51 -9.98 -1.47 -0.489 0.31251E+04 263 an20ab80 -1.55 -2.26 -0.71 -0.055 0.15135E+04 264 an25ab75 -1.25 -2.03 -0.78 -0.060 0.16634E+04 265 an30ab70 -0.94 -1.80 -0.86 -0.066 0.18236E+04 266 tr.625ac.25prg.125 29.94 27.25 -2.68 -0.072 0.57146E+04 271 FeS-amorphous -3.74 -7.72 -3.98 -1.327 0.84765E+04 Calculations done for 192.0000 Deg. C; 13.0902 bar Enthalpies: Pure water 3.5270 kcal/mole H2O,gas 12.0407 kcal/mole CO2,gas 2.1690 kcal/mole CH4,gas 2.1058 kcal/mole Current solution 155.0942 Gas 141.4364 kcal Total current enthalpy 296.5306 kcal Starting enthalpy 296.5306 kcal Temperature changed by -2.000 degrees to 190.000 degrees C. Solids and gases carried ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ Test file for CHIM-XPT. Boil Broadlands Water Water similar to Broadlands Well No. 2 CHIMRUN demo-2a ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ Number of loops used = 11 Loop limit = 200 Temperature = 190.00 C Pressure = 12.53 bar Mixer fraction = 0.0000000 Total current enthalpy = 296.5306 KCAL Water: Moles liquid = 0.4377E+02 kg liquid = 0.7885E+00 Moles total = 0.5551E+02 kg total = 0.1000E+01 Activity = 1.0000 Stoichiometric ionic strength = .4315712E-01 Osmotic coef. = 0.9183 True ionic strength = .4149709E-01 Chg. balance for total moles = 0.2402E-07 Max. difference allowed = 0.3072E-05 Log Log Log Species(n) Molality Molality Activity Activity Gamma Gamma 1 H+ 0.10729E-06 -6.9694 0.80235E-07 -7.0956 0.74783E+00 -0.1262 2 H2O 0.99997E+00 -0.0000 0.99997E+00 -0.0000 3 Cl- 0.38128E-01 -1.4188 0.28168E-01 -1.5502 0.73878E+00 -0.1315 4 SO4-- 0.52690E-06 -6.2783 0.17031E-06 -6.7688 0.32322E+00 -0.4905 5 HCO3- 0.23865E-02 -2.6222 0.17721E-02 -2.7515 0.74255E+00 -0.1293 6 HS- 0.47280E-03 -3.3253 0.34949E-03 -3.4566 0.73918E+00 -0.1313 7 H4SiO4 0.35923E-02 -2.4446 0.35923E-02 -2.4446 0.10000E+01 0.0000 8 Al+++ 0.28826E-21 -21.5402 0.22346E-22 -22.6508 0.77521E-01 -1.1106 9 Ca++ 0.32171E-04 -4.4925 0.10191E-04 -4.9918 0.31678E+00 -0.4992 10 Mg++ 0.10206E-06 -6.9911 0.31862E-07 -7.4967 0.31217E+00 -0.5056 11 Fe++ 0.12580E-10 -10.9003 0.39414E-11 -11.4043 0.31330E+00 -0.5040 12 K+ 0.46973E-02 -2.3282 0.34925E-02 -2.4569 0.74350E+00 -0.1287 13 Na+ 0.36688E-01 -1.4355 0.27108E-01 -1.5669 0.73887E+00 -0.1314 14 Mn++ 0.74363E-09 -9.1286 0.23360E-09 -9.6315 0.31414E+00 -0.5029 15 Zn++ 0.76732E-13 -13.1150 0.24040E-13 -13.6191 0.31330E+00 -0.5040 16 Cu+ 0.24159E-13 -13.6169 0.17847E-13 -13.7484 0.73874E+00 -0.1315 17 Pb++ 0.21086E-13 -13.6760 0.67406E-14 -14.1713 0.31967E+00 -0.4953 18 Hg++ 0.98921E-36 -36.0047 0.31486E-36 -36.5019 0.31830E+00 -0.4972 19 F- 0.30287E-03 -3.5187 0.22173E-03 -3.6542 0.73209E+00 -0.1354 21 HSiO3- 0.83442E-04 -4.0786 0.61645E-04 -4.2101 0.73878E+00 -0.1315 22 Ca(HSiO3)+ 0.11676E-06 -6.9327 0.86872E-07 -7.0611 0.74400E+00 -0.1284 23 Mg(HSiO3)+ 0.31733E-09 -9.4985 0.23610E-09 -9.6269 0.74400E+00 -0.1284 24 NaHSiO3,aq 0.17327E-04 -4.7613 0.17327E-04 -4.7613 0.10000E+01 0.0000 27 HAlO2,aq 0.48797E-08 -8.3116 0.48797E-08 -8.3116 0.10000E+01 0.0000 28 AlO2- 0.13922E-05 -5.8563 0.10206E-05 -5.9911 0.73311E+00 -0.1348 29 CH4,aq 0.38555E-05 -5.4139 0.38042E-05 -5.4197 0.98670E+00 -0.0058 34 CO,aq 0.44404E-09 -9.3526 0.44404E-09 -9.3526 0.10000E+01 0.0000 35 CO2,aq 0.14936E-02 -2.8258 0.14737E-02 -2.8316 0.98670E+00 -0.0058 36 CO3-2 0.27285E-05 -5.5641 0.87634E-06 -6.0573 0.32119E+00 -0.4932 37 CaCO3,aq 0.16192E-05 -5.7907 0.16192E-05 -5.7907 0.10000E+01 0.0000 38 Ca(HCO3)+ 0.45057E-05 -5.3462 0.33523E-05 -5.4747 0.74400E+00 -0.1284 39 CaCl+ 0.49926E-05 -5.3017 0.37145E-05 -5.4301 0.74400E+00 -0.1284 40 CaCl2,aq 0.38906E-07 -7.4100 0.38906E-07 -7.4100 0.10000E+01 0.0000 41 CaF+ 0.37962E-06 -6.4206 0.28244E-06 -6.5491 0.74400E+00 -0.1284 42 CaOH+ 0.13373E-05 -5.8738 0.99495E-06 -6.0022 0.74400E+00 -0.1284 43 CaSO4,aq 0.36029E-08 -8.4433 0.36029E-08 -8.4433 0.10000E+01 0.0000 44 HCl,aq 0.13348E-08 -8.8746 0.13348E-08 -8.8746 0.10000E+01 0.0000 61 HF,aq 0.10049E-05 -5.9979 0.10049E-05 -5.9979 0.10000E+01 0.0000 62 HF2- 0.10033E-09 -9.9986 0.74120E-10 -10.1301 0.73878E+00 -0.1315 69 FeO,aq 0.25788E-10 -10.5886 0.25788E-10 -10.5886 0.10000E+01 0.0000 70 FeOH+ 0.56257E-10 -10.2498 0.41855E-10 -10.3782 0.74400E+00 -0.1284 71 HFeO2- 0.13900E-10 -10.8570 0.10269E-10 -10.9885 0.73878E+00 -0.1315 76 H2,aq 0.80523E-05 -5.0941 0.79452E-05 -5.0999 0.98670E+00 -0.0058 77 Hg,aq 0.17413E-10 -10.7591 0.17181E-10 -10.7649 0.98670E+00 -0.0058 90 KCl,aq 0.12979E-04 -4.8868 0.12979E-04 -4.8868 0.10000E+01 0.0000 92 KOH,aq 0.36515E-06 -6.4375 0.36515E-06 -6.4375 0.10000E+01 0.0000 93 KSO4- 0.55011E-07 -7.2596 0.40641E-07 -7.3910 0.73878E+00 -0.1315 94 MgCO3,aq 0.74477E-09 -9.1280 0.74477E-09 -9.1280 0.10000E+01 0.0000 95 Mg(HCO3)+ 0.13774E-07 -7.8609 0.10248E-07 -7.9894 0.74400E+00 -0.1284 96 MgCl+ 0.94426E-08 -8.0249 0.70253E-08 -8.1533 0.74400E+00 -0.1284 97 MgF+ 0.36064E-08 -8.4429 0.26832E-08 -8.5713 0.74400E+00 -0.1284 98 MgOH+ 0.14766E-07 -7.8307 0.10986E-07 -7.9592 0.74400E+00 -0.1284 101 MnO,aq 0.46646E-10 -10.3312 0.46646E-10 -10.3312 0.10000E+01 0.0000 102 MnOH+ 0.43817E-09 -9.3584 0.32600E-09 -9.4868 0.74400E+00 -0.1284 107 MnCl+ 0.96610E-09 -9.0150 0.71878E-09 -9.1434 0.74400E+00 -0.1284 109 NaCl,aq 0.81218E-03 -3.0903 0.81218E-03 -3.0903 0.10000E+01 0.0000 110 NaF,aq 0.50059E-05 -5.3005 0.50059E-05 -5.3005 0.10000E+01 0.0000 111 NaOH,aq 0.20436E-05 -5.6896 0.20436E-05 -5.6896 0.10000E+01 0.0000 113 OH- 0.78808E-04 -4.1034 0.57775E-04 -4.2383 0.73311E+00 -0.1348 124 Pb(HS)2,aq 0.22163E-08 -8.6544 0.22163E-08 -8.6544 0.10000E+01 0.0000 125 Pb(HS)3- 0.22579E-10 -10.6463 0.16681E-10 -10.7778 0.73878E+00 -0.1315 126 H2S,aq 0.15518E-03 -3.8092 0.15312E-03 -3.8150 0.98670E+00 -0.0058 127 S2-2 0.10276E-09 -9.9882 0.33006E-10 -10.4814 0.32119E+00 -0.4932 135 HSO4- 0.37990E-09 -9.4203 0.28337E-09 -9.5476 0.74592E+00 -0.1273 153 ZnO,aq 0.19186E-10 -10.7170 0.19186E-10 -10.7170 0.10000E+01 0.0000 154 ZnOH+ 0.24821E-09 -9.6052 0.18467E-09 -9.7336 0.74400E+00 -0.1284 164 Cu(HS)2- 0.33259E-07 -7.4781 0.24571E-07 -7.6096 0.73878E+00 -0.1315 166 CuH4S3-b 0.19059E-09 -9.7199 0.14081E-09 -9.8514 0.73878E+00 -0.1315 179 MgSO4,aq 0.42629E-10 -10.3703 0.42629E-10 -10.3703 0.10000E+01 0.0000 180 MnCl2,aq 0.20174E-09 -9.6952 0.20174E-09 -9.6952 0.10000E+01 0.0000 181 MnCl3- 0.31451E-10 -10.5024 0.23236E-10 -10.6338 0.73878E+00 -0.1315 182 MnCO3,aq 0.10134E-08 -8.9942 0.10134E-08 -8.9942 0.10000E+01 0.0000 183 NaCO3- 0.12109E-05 -5.9169 0.89456E-06 -6.0484 0.73878E+00 -0.1315 184 NaHCO3,aq 0.44461E-04 -4.3520 0.44461E-04 -4.3520 0.10000E+01 0.0000 185 NaHS,aq 0.87685E-05 -5.0571 0.87685E-05 -5.0571 0.10000E+01 0.0000 186 NaSO4- 0.12677E-06 -6.8970 0.93655E-07 -7.0285 0.73878E+00 -0.1315 187 PbCO3,aq 0.24706E-09 -9.6072 0.24706E-09 -9.6072 0.10000E+01 0.0000 188 PbOH+ 0.15358E-10 -10.8137 0.11427E-10 -10.9421 0.74400E+00 -0.1284 193 Zn(HS)2,aq 0.15842E-07 -7.8002 0.15842E-07 -7.8002 0.10000E+01 0.0000 194 Zn(HS)3- 0.42728E-09 -9.3693 0.31567E-09 -9.5008 0.73878E+00 -0.1315 Charge balance for all species = 0.3046E-07 Component Molality Aq.molality ppm log[A(N)/A(H+)**Z] (total) 1 H+ 0.1072912E-06 0.1453283E-02 0.1460404E+01 -0.0000 2 H2O 0.1000000E+01 0.5550675E+02 0.9969546E+06 0.0000 3 Cl- 0.3812783E-01 0.3895807E-01 0.1377015E+04 5.5454 4 SO4-- 0.5269011E-06 -.5155918E-05 -.4937918E+00 7.4225 5 HCO3- 0.2386461E-02 0.3938455E-02 0.2395886E+03 4.3441 6 HS- 0.4728034E-03 0.6427303E-03 0.2119226E+02 3.6391 7 H4SiO4 0.3592312E-02 0.3693198E-02 0.3539025E+03 -2.4446 8 Al+++ 0.2882575E-21 0.1397079E-05 0.3758160E-01 -1.3639 9 Ca++ 0.3217056E-04 0.4516424E-04 0.1804633E+01 9.1995 10 Mg++ 0.1020648E-06 0.1447589E-06 0.3508762E-02 6.6945 11 Fe++ 0.1258037E-10 0.1241392E-09 0.6911889E-05 2.7869 12 K+ 0.4697302E-02 0.4710702E-02 0.1836423E+03 4.6388 13 Na+ 0.3668825E-01 0.3757937E-01 0.8613364E+03 5.5287 14 Mn++ 0.7436309E-09 0.3448366E-08 0.1888749E-03 4.5597 15 Zn++ 0.7673225E-13 0.1654322E-07 0.1078168E-02 0.5722 16 Cu+ 0.2415861E-13 0.3345534E-07 0.2119341E-02 -6.6528 17 Pb++ 0.2108612E-13 0.2505761E-08 0.5176026E-03 0.0200 18 Hg++ 0.9892082E-36 0.1769659E-10 0.3539053E-05 -22.3106 19 F- 0.3028739E-03 0.3092681E-03 0.5857754E+01 3.4415 Component Tot moles Aq. moles Solid moles Gas moles 1 H+ 0.1822172E+00 0.1145978E-02 -.4835589E-05 0.1810761E+00 2 H2O 0.5550825E+02 0.4376953E+02 -.9883696E-02 0.1174860E+02 3 Cl- 0.3072017E-01 0.3072017E-01 0.0000000E+00 0.2220509E-09 4 SO4-- -.4257700E-02 -.4065670E-05 0.8998270E-09 -.4253635E-02 5 HCO3- 0.1832100E+00 0.3105646E-02 0.0000000E+00 0.1801044E+00 6 HS- 0.9985820E-02 0.5068213E-03 0.3927368E-07 0.9478959E-02 7 H4SiO4 0.7855346E-02 0.2912250E-02 0.4943096E-02 0.0000000E+00 8 Al+++ 0.2253680E-05 0.1101659E-05 0.1152021E-05 0.0000000E+00 9 Ca++ 0.3561400E-04 0.3561400E-04 0.0000000E+00 0.0000000E+00 10 Mg++ 0.2355503E-06 0.1141488E-06 0.1214015E-06 0.0000000E+00 11 Fe++ 0.8017372E-08 0.9788924E-10 0.7919483E-08 0.0000000E+00 12 K+ 0.3715700E-02 0.3714597E-02 0.1103164E-05 0.0000000E+00 13 Na+ 0.2963300E-01 0.2963300E-01 0.0000000E+00 0.0000000E+00 14 Mn++ 0.2740424E-08 0.2719190E-08 0.2123419E-10 0.0000000E+00 15 Zn++ 0.1530000E-07 0.1304506E-07 0.2254942E-08 0.0000000E+00 16 Cu+ 0.6237410E-07 0.2638102E-07 0.3599308E-07 0.0000000E+00 17 Pb++ 0.1110000E-07 0.1975903E-08 0.9124097E-08 0.0000000E+00 18 Hg++ 0.4000000E-08 0.1395455E-10 0.0000000E+00 0.3986045E-08 19 F- 0.2439100E-03 0.2438716E-03 0.0000000E+00 0.3836717E-07 Chg. balance for solid moles: -.6268E-16 Mass of aqueous solution: 0.790930E+03 g Temperature = 190.00 C Pressure = 12.53 bar Mixer frac. = 0.0000000 Log Log Vol Gas or mineral Moles Moles Grams Grams Wt.% (cm3) H2O,gas 11.92 1.076 214.6 2.332 96.39 0.3364E+05 CO2,gas 0.1772 -0.752 7.798 0.892 3.502 561.6 CH4,gas 0.2909E-02 -2.536 0.4666E-01 -1.331 0.2096E-01 9.622 H2,gas 0.5378E-02 -2.269 0.1086E-01 -1.964 0.4879E-02 16.62 H2S,gas 0.5225E-02 -2.282 0.1781 -0.749 0.7998E-01 15.64 CO,gas 0.3005E-06 -6.522 0.8416E-05 -5.075 0.3780E-05 0.9236E-03 SO2,gas 0.2121E-13 -13.674 0.1358E-11 -11.867 0.6101E-12 0.6518E-10 HF,gas 0.3837E-07 -7.416 0.7673E-06 -6.115 0.3446E-06 0.1179E-03 HCl,gas 0.2221E-09 -9.654 0.8096E-08 -8.092 0.3636E-08 0.6825E-06 Hg,gas 0.3986E-08 -8.399 0.7996E-06 -6.097 0.3591E-06 0.1225E-04 clinochlore 0.2428E-07 -7.615 0.1350E-04 -4.870 0.4542E-02 0.5133E-05 daphnite 0.1442E-09 -9.841 0.1029E-06 -6.988 0.3462E-04 0.3117E-07 chlorite-Mn 0.4247E-11 -11.372 0.3011E-08 -8.521 0.1013E-05 0.9595E-09 microcline 0.1103E-05 -5.957 0.3071E-03 -3.513 0.1033 0.1199E-03 quartz 0.4940E-02 -2.306 0.2968 -0.528 99.89 0.1121 bornite 0.7199E-08 -8.143 0.3612E-05 -5.442 0.1216E-02 0.7107E-06 galena 0.9124E-08 -8.040 0.2183E-05 -5.661 0.7347E-03 0.2873E-06 sphalerite 0.2255E-08 -8.647 0.2197E-06 -6.658 0.7395E-04 0.5373E-07 Partial press. Fugacity coef Log fugacity Gas or Mineral Mole fraction or activity Activity coef Log activity H2O,gas 0.9842E+00 0.1233E+02 0.9249 1.057 CO2,gas 0.1463E-01 0.1833E+00 1.0191 -0.729 CH4,gas 0.2403E-03 0.3010E-02 1.0715 -2.491 H2,gas 0.4442E-03 0.5564E-02 1.0054 -2.252 H2S,gas 0.4316E-03 0.5406E-02 0.9739 -2.279 CO,gas 0.2481E-07 0.3109E-06 1.0000 -6.507 SO2,gas 0.1751E-14 0.2194E-13 1.0000 -13.659 HF,gas 0.3169E-08 0.3970E-07 1.0000 -7.401 HCl,gas 0.1834E-10 0.2297E-09 1.0000 -9.639 Hg,gas 0.3292E-09 0.4124E-08 1.0000 -8.385 clinochlore 0.9939E+00 0.9939E+00 1.0000 -0.003 daphnite 0.5902E-02 0.5902E-02 1.0000 -2.229 chlorite-Mn 0.1738E-03 0.1738E-03 1.0000 -3.760 microcline 0.1000E+01 0.1000E+01 1.0000 0.000 quartz 0.1000E+01 0.1000E+01 1.0000 0.000 bornite 0.1000E+01 0.1000E+01 1.0000 0.000 galena 0.1000E+01 0.1000E+01 1.0000 0.000 sphalerite 0.1000E+01 0.1000E+01 1.0000 0.000 Current weight percent of gas: 21.961669 % Solid products produced: Mass = 0.297105 g Volume = 0.112202 cm3 WARNING: mineral volume may be in error because some mineral densities were not supplied in SOLTHERM. See mineral list in file Skip_Species.txt. NON-Ideal mixing with H2O, CO2, CH4 Gases ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ The following gases and minerals are presently in matrix or were just added Gas or Mineral Log K Log Q Log(Q/K) Log(Q/K)/S Affinity Log Fugacity 1 H2O,gas 0.04 0.04 -0.00 -0.000 0.17691E-09 2 CO2,gas -8.02 -8.02 0.00 0.000 -0.67763E-10 3 CH4,gas 4.15 4.15 0.00 0.000 -0.16564E-09 4 H2,gas 5.95 5.95 0.00 0.000 -0.15059E-10 5 H2S,gas -7.18 -7.18 -0.00 -0.000 0.52705E-10 6 CO,gas 0.36 0.36 -0.00 -0.000 0.47058E-12 7 SO2,gas -3.60 -3.60 0.00 0.000 -0.28235E-11 8 HF,gas -2.25 -2.25 0.00 0.000 -0.94116E-12 9 HCl,gas 2.09 2.09 0.00 0.000 -0.18823E-11 10 Hg,gas -10.23 -10.23 -0.00 -0.000 0.37646E-11 43 clinochlore 23.42 23.42 -0.00 -0.000 0.15059E-10 44 daphnite 15.02 15.02 -0.00 -0.000 0.75293E-11 45 chlorite-Mn 31.54 31.54 -0.00 -0.000 0.75293E-11 115 microcline -4.06 -4.06 -0.00 -0.000 0.56469E-11 146 quartz -2.44 -2.44 0.00 0.000 0.00000E+00 198 bornite -73.99 -73.99 -0.00 -0.000 0.30117E-10 249 galena -10.53 -10.53 -0.00 -0.000 0.75293E-11 260 sphalerite -9.98 -9.98 -0.00 -0.000 0.75293E-11 The following gases and minerals are presently EXCLUDED from matrix (Gases and minerals with log(Q/K) less than -5 are not listed below) Gas or Mineral Log K Log Q Log(Q/K) Log(Q/K)/S Affinity Log Fugacity 11 acmite 5.85 2.13 -3.72 -0.387 0.78899E+04 15 albite-high -1.92 -3.17 -1.25 -0.096 0.26439E+04 16 albite -2.62 -3.17 -0.55 -0.042 0.11697E+04 20 analcite 0.54 -0.72 -1.27 -0.141 0.26815E+04 21 andalusite -1.47 -5.17 -3.70 -0.370 0.78384E+04 23 grossular 20.32 17.54 -2.78 -0.139 0.58941E+04 24 anhydrite -7.05 -11.76 -4.71 -2.355 0.99832E+04 25 ankerite -4.39 -7.71 -3.32 -0.553 0.70349E+04 27 phlogopite 17.53 16.02 -1.50 -0.083 0.31826E+04 29 anorthite 4.12 1.58 -2.54 -0.195 0.53734E+04 32 aragonite -0.27 -0.65 -0.38 -0.126 0.80106E+03 33 brucite 9.66 6.69 -2.97 -0.593 0.62890E+04 34 calcite -0.42 -0.65 -0.22 -0.075 0.47384E+03 35 carnegieite-low 5.09 1.72 -3.37 -0.481 0.71359E+04 36 carnegieite-high 5.79 1.72 -4.07 -0.581 0.86260E+04 37 carpholite-Mg 1.52 -0.92 -2.44 -0.163 0.51732E+04 38 carpholite-Fe -0.04 -4.83 -4.79 -0.319 0.10146E+05 39 celadonite 2.04 0.19 -1.85 -0.109 0.39161E+04 40 celadonite-Fe 0.71 -3.72 -4.43 -0.260 0.93808E+04 41 chrysotile 17.51 15.19 -2.31 -0.193 0.49057E+04 46 chlorite-Al-free 34.61 30.39 -4.23 -0.176 0.89564E+04 47 chloritoid-Mg 4.82 1.52 -3.30 -0.220 0.69873E+04 48 chloritoid-Fe 1.63 -2.39 -4.01 -0.268 0.85068E+04 49 chloritoid-Mn 3.84 -0.61 -4.45 -0.297 0.94376E+04 51 coesite -1.93 -2.44 -0.51 -0.170 0.10824E+04 56 corundum 1.29 -2.73 -4.02 -0.365 0.85180E+04 58 cristobalite -2.17 -2.44 -0.28 -0.093 0.59171E+03 61 cymrite-K -0.57 -4.06 -3.49 -0.291 0.73998E+04 63 diaspore -0.07 -1.36 -1.29 -0.215 0.27348E+04 64 diamond -2.18 -4.64 -2.46 -0.703 0.52169E+04 65 diopside 11.82 11.00 -0.81 -0.081 0.17180E+04 66 hedenbergite 10.15 7.10 -3.05 -0.305 0.64712E+04 67 dolomite,ordered -2.16 -3.80 -1.65 -0.274 0.34864E+04 69 enstatite 12.05 8.50 -3.55 -0.355 0.75287E+04 70 clinoenstatite-HiP 12.94 8.50 -4.44 -0.444 0.94070E+04 71 clinoenstatite 11.98 8.50 -3.48 -0.348 0.73668E+04 72 protoenstatite 12.46 8.50 -3.96 -0.396 0.83838E+04 73 epidote 12.97 9.82 -3.15 -0.153 0.66733E+04 74 clinozoisite 9.71 6.97 -2.73 -0.124 0.57905E+04 78 forsterite 15.08 10.94 -4.13 -0.590 0.87579E+04 81 gibbsite 1.21 -1.36 -2.58 -0.368 0.54582E+04 82 glaucophane 12.45 8.86 -3.59 -0.097 0.76105E+04 84 goethite 4.43 1.49 -2.94 -0.636 0.62291E+04 85 graphite -2.58 -4.64 -2.06 -0.589 0.43705E+04 88 halite 1.28 -3.12 -4.40 -2.200 0.93257E+04 90 heulandite -9.96 -10.64 -0.68 -0.031 0.14482E+04 94 jadeite 1.45 -0.72 -2.18 -0.218 0.46170E+04 96 kalsilite 4.07 0.83 -3.24 -0.463 0.68744E+04 97 kaolinite -5.58 -7.62 -2.04 -0.185 0.43135E+04 98 kyanite -1.48 -5.17 -3.70 -0.370 0.78330E+04 100 laumontite -2.47 -3.31 -0.84 -0.056 0.17702E+04 101 lawsonite 3.03 1.58 -1.45 -0.097 0.30729E+04 102 leucite 1.05 -1.61 -2.66 -0.266 0.56437E+04 104 lizardite 17.11 15.19 -1.92 -0.160 0.40699E+04 105 magnesite -0.98 -3.15 -2.17 -0.723 0.45956E+04 108 minnesotaite-Mg 14.36 10.31 -4.05 -0.238 0.85901E+04 112 margarite 3.09 -1.15 -4.23 -0.169 0.89703E+04 116 monticellite 18.34 13.45 -4.89 -0.699 0.10374E+05 119 muscovite -4.89 -6.79 -1.90 -0.112 0.40238E+04 120 paragonite -3.72 -5.90 -2.18 -0.128 0.46180E+04 121 nepheline 4.51 1.72 -2.79 -0.399 0.59127E+04 133 phlogopite-Na 19.36 16.91 -2.45 -0.136 0.51925E+04 135 prehnite 9.88 8.34 -1.54 -0.091 0.32649E+04 136 prehnite-Fe 14.06 11.19 -2.87 -0.173 0.60897E+04 138 pumpellyite-Mg 25.71 22.01 -3.70 -0.082 0.78441E+04 141 pyrite -19.65 -20.92 -1.27 -0.299 0.26956E+04 142 pyrrhotite -5.14 -7.77 -2.63 -0.876 0.55675E+04 143 pyrrhotiteFe0.875 -6.48 -8.44 -1.96 -0.719 0.41455E+04 144 pyroxmangite 5.38 2.12 -3.27 -0.654 0.69263E+04 145 pyrophyllite -9.98 -12.51 -2.53 -0.158 0.53529E+04 151 rhodochrosite -1.96 -5.29 -3.32 -1.108 0.70423E+04 152 rhodonite 5.41 2.12 -3.29 -0.659 0.69801E+04 153 sanidine -3.08 -4.06 -0.98 -0.075 0.20684E+04 155 siderite -3.67 -7.06 -3.39 -1.131 0.71915E+04 156 sillimanite -1.29 -5.17 -3.88 -0.388 0.82262E+04 163 stilbite -9.77 -10.64 -0.87 -0.041 0.18418E+04 165 stilpnomelane-Mg 14.24 13.51 -0.74 -0.022 0.15623E+04 166 stishovite 2.33 -2.44 -4.78 -1.592 0.10124E+05 169 sulfur -8.67 -13.15 -4.49 -1.380 0.95073E+04 171 talc 11.10 10.31 -0.79 -0.047 0.16822E+04 178 topaz-H -1.02 -5.17 -4.15 -0.377 0.87943E+04 179 tridymite -2.20 -2.44 -0.25 -0.082 0.52118E+03 180 tremolite 33.86 32.31 -1.54 -0.042 0.32656E+04 182 troilite-low -5.20 -7.77 -2.56 -0.854 0.54269E+04 188 wairakite -2.37 -3.31 -0.93 -0.055 0.19797E+04 189 walstromite 8.91 6.75 -2.15 -0.431 0.45654E+04 190 wollastonite 8.07 6.75 -1.32 -0.264 0.27958E+04 191 pseudo-wollastonite 8.46 6.75 -1.70 -0.341 0.36120E+04 192 zoisite 9.75 6.97 -2.77 -0.126 0.58790E+04 193 beidellite-Ca -7.32 -10.63 -3.31 -0.205 0.70120E+04 194 beidellite-H -7.77 -12.15 -4.38 -0.280 0.92841E+04 195 beidellite-K -6.87 -10.62 -3.75 -0.230 0.79525E+04 196 beidellite-Mg -7.53 -11.05 -3.51 -0.217 0.74437E+04 197 beidellite-Na -6.78 -10.33 -3.54 -0.217 0.75075E+04 200 chalcedony -2.29 -2.44 -0.15 -0.050 0.32018E+03 201 chalcocite -22.54 -23.86 -1.32 -0.329 0.27886E+04 202 covellite -16.60 -18.51 -1.91 -0.728 0.40492E+04 204 montmorillonite-Ca -6.36 -8.33 -1.97 -0.122 0.41665E+04 205 montmorillonite-K -6.01 -8.32 -2.31 -0.141 0.48932E+04 206 montmorillonite-Mg -6.60 -8.74 -2.14 -0.132 0.45309E+04 207 montmorillonite-Na -5.87 -8.02 -2.16 -0.132 0.45713E+04 229 tobermorite 8.67 5.22 -3.45 -0.942 0.73199E+04 235 alabandite -2.23 -5.99 -3.76 -1.255 0.79783E+04 240 boehmite 1.00 -1.36 -2.36 -0.394 0.50049E+04 242 chalcopyrite -25.30 -26.27 -0.97 -0.181 0.20604E+04 245 copper,native -1.67 -5.35 -3.68 -1.281 0.78065E+04 246 dolomite,disordered -1.71 -3.80 -2.09 -0.349 0.44321E+04 247 ferrous-oxide 6.89 2.79 -4.10 -1.025 0.86883E+04 248 fluorite -10.66 -12.30 -1.64 -0.546 0.34704E+04 257 silica-amorphous -1.81 -2.44 -0.64 -0.212 0.13508E+04 261 wurtzite -8.51 -9.98 -1.47 -0.492 0.31254E+04 263 an20ab80 -1.49 -2.22 -0.73 -0.056 0.15492E+04 264 an25ab75 -1.18 -1.98 -0.80 -0.062 0.17033E+04 265 an30ab70 -0.86 -1.74 -0.88 -0.068 0.18677E+04 266 tr.625ac.25prg.125 30.20 27.38 -2.82 -0.076 0.59765E+04 271 FeS-amorphous -3.73 -7.77 -4.03 -1.345 0.85484E+04 Calculations done for 190.0000 Deg. C; 12.5277 bar Enthalpies: Pure water 3.4889 kcal/mole H2O,gas 12.0357 kcal/mole CO2,gas 2.1335 kcal/mole CH4,gas 2.0716 kcal/mole Current solution 152.7113 Gas 143.8193 kcal Total current enthalpy 296.5306 kcal Starting enthalpy 296.5306 kcal Temperature changed by -2.000 degrees to 188.000 degrees C. Solids and gases carried ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ Test file for CHIM-XPT. Boil Broadlands Water Water similar to Broadlands Well No. 2 CHIMRUN demo-2a ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ Number of loops used = 11 Loop limit = 200 Temperature = 188.00 C Pressure = 11.98 bar Mixer fraction = 0.0000000 Total current enthalpy = 296.5306 KCAL Water: Moles liquid = 0.4357E+02 kg liquid = 0.7849E+00 Moles total = 0.5551E+02 kg total = 0.1000E+01 Activity = 1.0000 Stoichiometric ionic strength = .4330274E-01 Osmotic coef. = 0.9188 True ionic strength = .4170957E-01 Chg. balance for total moles = 0.2402E-07 Max. difference allowed = 0.3072E-05 Log Log Log Species(n) Molality Molality Activity Activity Gamma Gamma 1 H+ 0.10430E-06 -6.9817 0.78099E-07 -7.1074 0.74881E+00 -0.1256 2 H2O 0.99997E+00 -0.0000 0.99997E+00 -0.0000 3 Cl- 0.38322E-01 -1.4165 0.28350E-01 -1.5474 0.73978E+00 -0.1309 4 SO4-- 0.56501E-06 -6.2479 0.18356E-06 -6.7362 0.32487E+00 -0.4883 5 HCO3- 0.24039E-02 -2.6191 0.17874E-02 -2.7478 0.74353E+00 -0.1287 6 HS- 0.46981E-03 -3.3281 0.34774E-03 -3.4587 0.74018E+00 -0.1307 7 H4SiO4 0.35105E-02 -2.4546 0.35105E-02 -2.4546 0.10000E+01 0.0000 8 Al+++ 0.29168E-21 -21.5351 0.22876E-22 -22.6406 0.78430E-01 -1.1055 9 Ca++ 0.32657E-04 -4.4860 0.10399E-04 -4.9830 0.31843E+00 -0.4970 10 Mg++ 0.10671E-06 -6.9718 0.33489E-07 -7.4751 0.31383E+00 -0.5033 11 Fe++ 0.10981E-10 -10.9593 0.34587E-11 -11.4611 0.31496E+00 -0.5017 12 K+ 0.47194E-02 -2.3261 0.35135E-02 -2.4543 0.74447E+00 -0.1282 13 Na+ 0.36877E-01 -1.4332 0.27284E-01 -1.5641 0.73987E+00 -0.1308 14 Mn++ 0.75902E-09 -9.1197 0.23970E-09 -9.6203 0.31580E+00 -0.5006 15 Zn++ 0.74521E-13 -13.1277 0.23471E-13 -13.6295 0.31496E+00 -0.5017 16 Cu+ 0.21823E-13 -13.6611 0.16143E-13 -13.7920 0.73974E+00 -0.1309 17 Pb++ 0.19484E-13 -13.7103 0.62605E-14 -14.2034 0.32131E+00 -0.4931 18 Hg++ 0.81742E-36 -36.0876 0.26153E-36 -36.5825 0.31995E+00 -0.4949 19 F- 0.30448E-03 -3.5164 0.22323E-03 -3.6512 0.73316E+00 -0.1348 21 HSiO3- 0.84147E-04 -4.0750 0.62251E-04 -4.2059 0.73978E+00 -0.1309 22 Ca(HSiO3)+ 0.11464E-06 -6.9407 0.85404E-07 -7.0685 0.74496E+00 -0.1279 23 Mg(HSiO3)+ 0.32336E-09 -9.4903 0.24089E-09 -9.6182 0.74496E+00 -0.1279 24 NaHSiO3,aq 0.17594E-04 -4.7546 0.17594E-04 -4.7546 0.10000E+01 0.0000 27 HAlO2,aq 0.46824E-08 -8.3295 0.46824E-08 -8.3295 0.10000E+01 0.0000 28 AlO2- 0.13210E-05 -5.8791 0.96987E-06 -6.0133 0.73417E+00 -0.1342 29 CH4,aq 0.35714E-05 -5.4472 0.35237E-05 -5.4530 0.98666E+00 -0.0058 34 CO,aq 0.38021E-09 -9.4200 0.38021E-09 -9.4200 0.10000E+01 0.0000 35 CO2,aq 0.14015E-02 -2.8534 0.13828E-02 -2.8592 0.98666E+00 -0.0058 36 CO3-2 0.28922E-05 -5.5388 0.93371E-06 -6.0298 0.32284E+00 -0.4910 37 CaCO3,aq 0.16454E-05 -5.7837 0.16454E-05 -5.7837 0.10000E+01 0.0000 38 Ca(HCO3)+ 0.43984E-05 -5.3567 0.32767E-05 -5.4846 0.74496E+00 -0.1279 39 CaCl+ 0.48606E-05 -5.3133 0.36210E-05 -5.4412 0.74496E+00 -0.1279 40 CaCl2,aq 0.37414E-07 -7.4270 0.37414E-07 -7.4270 0.10000E+01 0.0000 41 CaF+ 0.36887E-06 -6.4331 0.27480E-06 -6.5610 0.74496E+00 -0.1279 42 CaOH+ 0.12869E-05 -5.8905 0.95869E-06 -6.0183 0.74496E+00 -0.1279 43 CaSO4,aq 0.37626E-08 -8.4245 0.37626E-08 -8.4245 0.10000E+01 0.0000 44 HCl,aq 0.12584E-08 -8.9002 0.12584E-08 -8.9002 0.10000E+01 0.0000 61 HF,aq 0.93772E-06 -6.0279 0.93772E-06 -6.0279 0.10000E+01 0.0000 62 HF2- 0.94412E-10 -10.0250 0.69844E-10 -10.1559 0.73978E+00 -0.1309 69 FeO,aq 0.21036E-10 -10.6770 0.21036E-10 -10.6770 0.10000E+01 0.0000 70 FeOH+ 0.47691E-10 -10.3216 0.35528E-10 -10.4494 0.74496E+00 -0.1279 71 HFeO2- 0.11469E-10 -10.9405 0.84846E-11 -11.0714 0.73978E+00 -0.1309 76 H2,aq 0.73926E-05 -5.1312 0.72940E-05 -5.1370 0.98666E+00 -0.0058 77 Hg,aq 0.16138E-10 -10.7922 0.15922E-10 -10.7980 0.98666E+00 -0.0058 90 KCl,aq 0.12582E-04 -4.9002 0.12582E-04 -4.9002 0.10000E+01 0.0000 92 KOH,aq 0.35988E-06 -6.4438 0.35988E-06 -6.4438 0.10000E+01 0.0000 93 KSO4- 0.57294E-07 -7.2419 0.42385E-07 -7.3728 0.73978E+00 -0.1309 94 MgCO3,aq 0.78760E-09 -9.1037 0.78760E-09 -9.1037 0.10000E+01 0.0000 95 Mg(HCO3)+ 0.13876E-07 -7.8577 0.10337E-07 -7.9856 0.74496E+00 -0.1279 96 MgCl+ 0.95442E-08 -8.0203 0.71101E-08 -8.1481 0.74496E+00 -0.1279 97 MgF+ 0.36242E-08 -8.4408 0.26999E-08 -8.5686 0.74496E+00 -0.1279 98 MgOH+ 0.14724E-07 -7.8320 0.10969E-07 -7.9598 0.74496E+00 -0.1279 101 MnO,aq 0.44488E-10 -10.3518 0.44488E-10 -10.3518 0.10000E+01 0.0000 102 MnOH+ 0.43214E-09 -9.3644 0.32193E-09 -9.4922 0.74496E+00 -0.1279 107 MnCl+ 0.93185E-09 -9.0307 0.69420E-09 -9.1585 0.74496E+00 -0.1279 109 NaCl,aq 0.79858E-03 -3.0977 0.79858E-03 -3.0977 0.10000E+01 0.0000 110 NaF,aq 0.49155E-05 -5.3084 0.49155E-05 -5.3084 0.10000E+01 0.0000 111 NaOH,aq 0.20250E-05 -5.6936 0.20250E-05 -5.6936 0.10000E+01 0.0000 113 OH- 0.78799E-04 -4.1035 0.57851E-04 -4.2377 0.73417E+00 -0.1342 124 Pb(HS)2,aq 0.20205E-08 -8.6945 0.20205E-08 -8.6945 0.10000E+01 0.0000 125 Pb(HS)3- 0.20143E-10 -10.6959 0.14902E-10 -10.8268 0.73978E+00 -0.1309 126 H2S,aq 0.14630E-03 -3.8347 0.14435E-03 -3.8406 0.98666E+00 -0.0058 127 S2-2 0.10078E-09 -9.9966 0.32534E-10 -10.4877 0.32284E+00 -0.4910 135 HSO4- 0.37138E-09 -9.4302 0.27737E-09 -9.5569 0.74688E+00 -0.1268 153 ZnO,aq 0.17610E-10 -10.7543 0.17610E-10 -10.7543 0.10000E+01 0.0000 154 ZnOH+ 0.22874E-09 -9.6406 0.17041E-09 -9.7685 0.74496E+00 -0.1279 164 Cu(HS)2- 0.32488E-07 -7.4883 0.24034E-07 -7.6192 0.73978E+00 -0.1309 166 CuH4S3-b 0.19925E-09 -9.7006 0.14740E-09 -9.8315 0.73978E+00 -0.1309 179 MgSO4,aq 0.46047E-10 -10.3368 0.46047E-10 -10.3368 0.10000E+01 0.0000 180 MnCl2,aq 0.18776E-09 -9.7264 0.18776E-09 -9.7264 0.10000E+01 0.0000 181 MnCl3- 0.29017E-10 -10.5374 0.21466E-10 -10.6682 0.73978E+00 -0.1309 182 MnCO3,aq 0.10743E-08 -8.9689 0.10743E-08 -8.9689 0.10000E+01 0.0000 183 NaCO3- 0.12626E-05 -5.8987 0.93408E-06 -6.0296 0.73978E+00 -0.1309 184 NaHCO3,aq 0.43314E-04 -4.3634 0.43314E-04 -4.3634 0.10000E+01 0.0000 185 NaHS,aq 0.84268E-05 -5.0743 0.84268E-05 -5.0743 0.10000E+01 0.0000 186 NaSO4- 0.13412E-06 -6.8725 0.99223E-07 -7.0034 0.73978E+00 -0.1309 187 PbCO3,aq 0.23535E-09 -9.6283 0.23535E-09 -9.6283 0.10000E+01 0.0000 188 PbOH+ 0.14046E-10 -10.8524 0.10464E-10 -10.9803 0.74496E+00 -0.1279 193 Zn(HS)2,aq 0.14267E-07 -7.8457 0.14267E-07 -7.8457 0.10000E+01 0.0000 194 Zn(HS)3- 0.39149E-09 -9.4073 0.28962E-09 -9.5382 0.73978E+00 -0.1309 Charge balance for all species = 0.3060E-07 Component Molality Aq.molality ppm log[A(N)/A(H+)**Z] (total) 1 H+ 0.1042982E-06 0.1351574E-02 0.1358197E+01 -0.0000 2 H2O 0.1000000E+01 0.5550684E+02 0.9969562E+06 0.0000 3 Cl- 0.3832244E-01 0.3913856E-01 0.1383394E+04 5.5599 4 SO4-- 0.5650145E-06 -.4659011E-05 -.4462021E+00 7.4785 5 HCO3- 0.2403938E-02 0.3862558E-02 0.2349716E+03 4.3596 6 HS- 0.4698066E-03 0.6300547E-03 0.2077432E+02 3.6486 7 H4SiO4 0.3510489E-02 0.3612345E-02 0.3461548E+03 -2.4546 8 Al+++ 0.2916769E-21 0.1325731E-05 0.3566231E-01 -1.3186 9 Ca++ 0.3265743E-04 0.4537347E-04 0.1812993E+01 9.2317 10 Mg++ 0.1067099E-06 0.1496353E-06 0.3626961E-02 6.7396 11 Fe++ 0.1098134E-10 0.1039525E-09 0.5787924E-05 2.7536 12 K+ 0.4719446E-02 0.4732445E-02 0.1844899E+03 4.6531 13 Na+ 0.3687721E-01 0.3775347E-01 0.8653267E+03 5.5433 14 Mn++ 0.7590186E-09 0.3465650E-08 0.1898216E-03 4.5944 15 Zn++ 0.7452136E-13 0.1491094E-07 0.9717880E-03 0.5852 16 Cu+ 0.2182298E-13 0.3269215E-07 0.2070994E-02 -6.6847 17 Pb++ 0.1948424E-13 0.2294027E-08 0.4738658E-03 0.0113 18 Hg++ 0.8174203E-36 0.1641529E-10 0.3282812E-05 -22.3678 19 F- 0.3044777E-03 0.3107036E-03 0.5884943E+01 3.4561 Component Tot moles Aq. moles Solid moles Gas moles 1 H+ 0.1822172E+00 0.1060861E-02 -.5076361E-05 0.1811614E+00 2 H2O 0.5550825E+02 0.4356777E+02 -.1003736E-01 0.1195052E+02 3 Cl- 0.3072017E-01 0.3072017E-01 0.0000000E+00 0.2062189E-09 4 SO4-- -.4257700E-02 -.3656895E-05 0.9178441E-09 -.4254044E-02 5 HCO3- 0.1832100E+00 0.3031753E-02 0.0000000E+00 0.1801782E+00 6 HS- 0.9985820E-02 0.4945350E-03 0.4134885E-07 0.9491243E-02 7 H4SiO4 0.7855346E-02 0.2835359E-02 0.5019987E-02 0.0000000E+00 8 Al+++ 0.2253680E-05 0.1040577E-05 0.1213103E-05 0.0000000E+00 9 Ca++ 0.3561400E-04 0.3561400E-04 0.0000000E+00 0.0000000E+00 10 Mg++ 0.2355503E-06 0.1174500E-06 0.1181003E-06 0.0000000E+00 11 Fe++ 0.8017372E-08 0.8159315E-10 0.7935779E-08 0.0000000E+00 12 K+ 0.3715700E-02 0.3714534E-02 0.1165618E-05 0.0000000E+00 13 Na+ 0.2963300E-01 0.2963300E-01 0.0000000E+00 0.0000000E+00 14 Mn++ 0.2740424E-08 0.2720217E-08 0.2020711E-10 0.0000000E+00 15 Zn++ 0.1530000E-07 0.1170371E-07 0.3596285E-08 0.0000000E+00 16 Cu+ 0.6237410E-07 0.2566033E-07 0.3671377E-07 0.0000000E+00 17 Pb++ 0.1110000E-07 0.1800600E-08 0.9299400E-08 0.0000000E+00 18 Hg++ 0.4000000E-08 0.1288450E-10 0.0000000E+00 0.3987116E-08 19 F- 0.2439100E-03 0.2438738E-03 0.0000000E+00 0.3624129E-07 Chg. balance for solid moles: -.5241E-16 Mass of aqueous solution: 0.787283E+03 g Temperature = 188.00 C Pressure = 11.98 bar Mixer frac. = 0.0000000 Log Log Vol Gas or mineral Moles Moles Grams Grams Wt.% (cm3) H2O,gas 12.12 1.083 218.3 2.339 96.45 0.3570E+05 CO2,gas 0.1773 -0.751 7.801 0.892 3.447 584.4 CH4,gas 0.2921E-02 -2.535 0.4685E-01 -1.329 0.2070E-01 10.03 H2,gas 0.5334E-02 -2.273 0.1077E-01 -1.968 0.4761E-02 17.15 H2S,gas 0.5237E-02 -2.281 0.1785 -0.748 0.7887E-01 16.33 CO,gas 0.2796E-06 -6.553 0.7832E-05 -5.106 0.3461E-05 0.8946E-03 SO2,gas 0.1897E-13 -13.722 0.1215E-11 -11.915 0.5371E-12 0.6071E-10 HF,gas 0.3624E-07 -7.441 0.7248E-06 -6.140 0.3203E-06 0.1160E-03 HCl,gas 0.2062E-09 -9.686 0.7519E-08 -8.124 0.3322E-08 0.6598E-06 Hg,gas 0.3987E-08 -8.399 0.7998E-06 -6.097 0.3534E-06 0.1276E-04 clinochlore 0.2362E-07 -7.627 0.1313E-04 -4.882 0.4351E-02 0.4994E-05 daphnite 0.1186E-09 -9.926 0.8463E-07 -7.072 0.2805E-04 0.2564E-07 chlorite-Mn 0.4041E-11 -11.393 0.2865E-08 -8.543 0.9496E-06 0.9131E-09 microcline 0.1166E-05 -5.933 0.3244E-03 -3.489 0.1075 0.1267E-03 quartz 0.5016E-02 -2.300 0.3014 -0.521 99.89 0.1138 bornite 0.7343E-08 -8.134 0.3685E-05 -5.434 0.1221E-02 0.7249E-06 galena 0.9299E-08 -8.032 0.2225E-05 -5.653 0.7374E-03 0.2928E-06 sphalerite 0.3596E-08 -8.444 0.3504E-06 -6.455 0.1161E-03 0.8569E-07 Partial press. Fugacity coef Log fugacity Gas or Mineral Mole fraction or activity Activity coef Log activity H2O,gas 0.9845E+00 0.1180E+02 0.9269 1.039 CO2,gas 0.1440E-01 0.1726E+00 1.0192 -0.755 CH4,gas 0.2372E-03 0.2843E-02 1.0695 -2.517 H2,gas 0.4333E-03 0.5192E-02 1.0052 -2.282 H2S,gas 0.4254E-03 0.5098E-02 0.9747 -2.304 CO,gas 0.2271E-07 0.2722E-06 1.0000 -6.565 SO2,gas 0.1541E-14 0.1847E-13 1.0000 -13.734 HF,gas 0.2944E-08 0.3528E-07 1.0000 -7.452 HCl,gas 0.1675E-10 0.2008E-09 1.0000 -9.697 Hg,gas 0.3239E-09 0.3881E-08 1.0000 -8.411 clinochlore 0.9948E+00 0.9948E+00 1.0000 -0.002 daphnite 0.4995E-02 0.4995E-02 1.0000 -2.301 chlorite-Mn 0.1702E-03 0.1702E-03 1.0000 -3.769 microcline 0.1000E+01 0.1000E+01 1.0000 0.000 quartz 0.1000E+01 0.1000E+01 1.0000 0.000 bornite 0.1000E+01 0.1000E+01 1.0000 0.000 galena 0.1000E+01 0.1000E+01 1.0000 0.000 sphalerite 0.1000E+01 0.1000E+01 1.0000 0.000 Current weight percent of gas: 22.320857 % Solid products produced: Mass = 0.301730 g Volume = 0.113949 cm3 WARNING: mineral volume may be in error because some mineral densities were not supplied in SOLTHERM. See mineral list in file Skip_Species.txt. NON-Ideal mixing with H2O, CO2, CH4 Gases ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ The following gases and minerals are presently in matrix or were just added Gas or Mineral Log K Log Q Log(Q/K) Log(Q/K)/S Affinity Log Fugacity 1 H2O,gas 0.04 0.04 -0.00 -0.000 0.13053E-09 2 CO2,gas -8.02 -8.02 0.00 0.000 -0.52477E-10 3 CH4,gas 4.13 4.13 0.00 0.000 -0.12370E-09 4 H2,gas 5.96 5.96 0.00 0.000 -0.93709E-11 5 H2S,gas -7.18 -7.18 -0.00 -0.000 0.43106E-10 6 CO,gas 0.38 0.38 0.00 0.000 0.00000E+00 7 SO2,gas -3.54 -3.54 0.00 0.000 0.00000E+00 8 HF,gas -2.23 -2.23 0.00 0.000 -0.56226E-11 9 HCl,gas 2.12 2.12 -0.00 -0.000 0.93709E-12 10 Hg,gas -10.28 -10.28 0.00 0.000 0.00000E+00 43 clinochlore 23.71 23.71 -0.00 -0.000 0.22490E-10 44 daphnite 15.27 15.27 -0.00 -0.000 0.18742E-10 45 chlorite-Mn 31.82 31.82 -0.00 -0.000 0.14993E-10 115 microcline -4.03 -4.03 -0.00 -0.000 0.16868E-10 146 quartz -2.45 -2.45 0.00 0.000 0.00000E+00 198 bornite -74.23 -74.23 0.00 0.000 0.00000E+00 249 galena -10.55 -10.55 0.00 0.000 0.00000E+00 260 sphalerite -9.98 -9.98 -0.00 -0.000 0.37484E-11 The following gases and minerals are presently EXCLUDED from matrix (Gases and minerals with log(Q/K) less than -5 are not listed below) Gas or Mineral Log K Log Q Log(Q/K) Log(Q/K)/S Affinity Log Fugacity 11 acmite 5.88 2.09 -3.79 -0.394 0.80019E+04 15 albite-high -1.87 -3.14 -1.27 -0.097 0.26702E+04 16 albite -2.58 -3.14 -0.56 -0.043 0.11878E+04 20 analcite 0.59 -0.68 -1.28 -0.142 0.26921E+04 21 andalusite -1.35 -5.09 -3.74 -0.374 0.78906E+04 23 grossular 20.55 17.69 -2.85 -0.143 0.60229E+04 24 anhydrite -7.01 -11.72 -4.71 -2.356 0.99419E+04 25 ankerite -4.34 -7.72 -3.39 -0.565 0.71481E+04 27 phlogopite 17.70 16.19 -1.51 -0.084 0.31863E+04 29 anorthite 4.28 1.69 -2.59 -0.199 0.54705E+04 32 aragonite -0.24 -0.62 -0.38 -0.127 0.80459E+03 33 brucite 9.71 6.74 -2.97 -0.595 0.62765E+04 34 calcite -0.40 -0.62 -0.23 -0.076 0.47861E+03 35 carnegieite-low 5.16 1.77 -3.39 -0.484 0.71517E+04 36 carnegieite-high 5.87 1.77 -4.10 -0.586 0.86493E+04 37 carpholite-Mg 1.65 -0.81 -2.46 -0.164 0.51824E+04 38 carpholite-Fe 0.08 -4.79 -4.88 -0.325 0.10289E+05 39 celadonite 2.10 0.26 -1.84 -0.108 0.38905E+04 40 celadonite-Fe 0.77 -3.73 -4.50 -0.265 0.94930E+04 41 chrysotile 17.62 15.31 -2.31 -0.193 0.48815E+04 46 chlorite-Al-free 34.84 30.62 -4.22 -0.176 0.89029E+04 47 chloritoid-Mg 4.97 1.65 -3.33 -0.222 0.70192E+04 48 chloritoid-Fe 1.77 -2.34 -4.11 -0.274 0.86668E+04 49 chloritoid-Mn 3.98 -0.50 -4.48 -0.299 0.94504E+04 51 coesite -1.94 -2.45 -0.51 -0.171 0.10815E+04 56 corundum 1.42 -2.64 -4.06 -0.369 0.85702E+04 58 cristobalite -2.17 -2.45 -0.28 -0.094 0.59450E+03 61 cymrite-K -0.53 -4.03 -3.50 -0.292 0.73929E+04 63 diaspore -0.02 -1.32 -1.30 -0.217 0.27439E+04 64 diamond -2.20 -4.66 -2.47 -0.705 0.52053E+04 65 diopside 11.89 11.06 -0.83 -0.083 0.17570E+04 66 hedenbergite 10.22 7.08 -3.15 -0.315 0.66442E+04 67 dolomite,ordered -2.10 -3.74 -1.64 -0.274 0.34657E+04 69 enstatite 12.15 8.57 -3.58 -0.358 0.75460E+04 70 clinoenstatite-HiP 13.04 8.57 -4.47 -0.447 0.94242E+04 71 clinoenstatite 12.07 8.57 -3.50 -0.350 0.73842E+04 72 protoenstatite 12.55 8.57 -3.98 -0.398 0.84034E+04 73 epidote 13.19 9.92 -3.27 -0.159 0.69040E+04 74 clinozoisite 9.95 7.14 -2.81 -0.128 0.59208E+04 78 forsterite 15.18 11.02 -4.16 -0.594 0.87769E+04 81 gibbsite 1.26 -1.32 -2.58 -0.369 0.54506E+04 82 glaucophane 12.64 9.03 -3.61 -0.097 0.76108E+04 84 goethite 4.46 1.46 -3.01 -0.650 0.63442E+04 85 graphite -2.60 -4.66 -2.07 -0.590 0.43607E+04 88 halite 1.29 -3.11 -4.40 -2.202 0.92931E+04 90 heulandite -9.88 -10.59 -0.71 -0.032 0.14884E+04 94 jadeite 1.51 -0.68 -2.19 -0.219 0.46204E+04 96 kalsilite 4.14 0.88 -3.26 -0.466 0.68774E+04 97 kaolinite -5.50 -7.55 -2.04 -0.186 0.43129E+04 98 kyanite -1.36 -5.09 -3.73 -0.373 0.78807E+04 100 laumontite -2.37 -3.22 -0.85 -0.057 0.17964E+04 101 lawsonite 3.16 1.69 -1.47 -0.098 0.31016E+04 102 leucite 1.11 -1.57 -2.68 -0.268 0.56554E+04 104 lizardite 17.22 15.31 -1.91 -0.160 0.40391E+04 105 magnesite -0.95 -3.12 -2.17 -0.722 0.45712E+04 108 minnesotaite-Mg 14.47 10.40 -4.07 -0.239 0.85870E+04 112 margarite 3.35 -0.95 -4.31 -0.172 0.90847E+04 116 monticellite 18.45 13.52 -4.94 -0.705 0.10416E+05 119 muscovite -4.75 -6.67 -1.92 -0.113 0.40492E+04 120 paragonite -3.57 -5.78 -2.21 -0.130 0.46573E+04 121 nepheline 4.58 1.77 -2.81 -0.401 0.59295E+04 133 phlogopite-Na 19.55 17.08 -2.47 -0.137 0.52139E+04 135 prehnite 10.05 8.46 -1.59 -0.094 0.33585E+04 136 prehnite-Fe 14.22 11.24 -2.98 -0.179 0.62880E+04 138 pumpellyite-Mg 26.14 22.35 -3.79 -0.084 0.80035E+04 141 pyrite -19.66 -20.97 -1.31 -0.309 0.27681E+04 142 pyrrhotite -5.12 -7.81 -2.70 -0.899 0.56897E+04 143 pyrrhotiteFe0.875 -6.47 -8.48 -2.01 -0.740 0.42484E+04 144 pyroxmangite 5.42 2.14 -3.28 -0.656 0.69217E+04 145 pyrophyllite -9.91 -12.46 -2.55 -0.159 0.53751E+04 151 rhodochrosite -1.94 -5.26 -3.32 -1.106 0.70035E+04 152 rhodonite 5.45 2.14 -3.31 -0.661 0.69758E+04 153 sanidine -3.05 -4.03 -0.98 -0.075 0.20686E+04 155 siderite -3.64 -7.10 -3.46 -1.153 0.72987E+04 156 sillimanite -1.17 -5.09 -3.92 -0.392 0.82797E+04 163 stilbite -9.73 -10.59 -0.86 -0.041 0.18078E+04 165 stilpnomelane-Mg 14.48 13.75 -0.73 -0.022 0.15450E+04 166 stishovite 2.34 -2.45 -4.79 -1.598 0.10116E+05 169 sulfur -8.67 -13.16 -4.49 -1.382 0.94797E+04 171 talc 11.20 10.40 -0.79 -0.047 0.16770E+04 178 topaz-H -0.92 -5.09 -4.17 -0.380 0.88097E+04 179 tridymite -2.21 -2.45 -0.25 -0.083 0.52328E+03 180 tremolite 34.11 32.52 -1.58 -0.043 0.33419E+04 182 troilite-low -5.18 -7.81 -2.63 -0.876 0.55465E+04 188 wairakite -2.26 -3.22 -0.97 -0.057 0.20436E+04 189 walstromite 8.96 6.78 -2.18 -0.436 0.45988E+04 190 wollastonite 8.12 6.78 -1.34 -0.268 0.28286E+04 191 pseudo-wollastonite 8.51 6.78 -1.73 -0.346 0.36470E+04 192 zoisite 9.99 7.14 -2.85 -0.129 0.60093E+04 193 beidellite-Ca -7.22 -10.56 -3.34 -0.207 0.70503E+04 194 beidellite-H -7.67 -12.08 -4.41 -0.282 0.93145E+04 195 beidellite-K -6.77 -10.55 -3.78 -0.231 0.79753E+04 196 beidellite-Mg -7.42 -10.97 -3.54 -0.219 0.74784E+04 197 beidellite-Na -6.68 -10.25 -3.57 -0.219 0.75351E+04 200 chalcedony -2.30 -2.45 -0.15 -0.051 0.32014E+03 201 chalcocite -22.63 -23.94 -1.30 -0.325 0.27471E+04 202 covellite -16.65 -18.55 -1.90 -0.723 0.40071E+04 204 montmorillonite-Ca -6.29 -8.27 -1.99 -0.123 0.41913E+04 205 montmorillonite-K -5.94 -8.26 -2.32 -0.142 0.49052E+04 206 montmorillonite-Mg -6.53 -8.68 -2.16 -0.133 0.45514E+04 207 montmorillonite-Na -5.79 -7.97 -2.17 -0.133 0.45850E+04 229 tobermorite 8.69 5.24 -3.46 -0.943 0.72952E+04 235 alabandite -2.20 -5.97 -3.77 -1.257 0.79604E+04 240 boehmite 1.06 -1.32 -2.38 -0.397 0.50216E+04 242 chalcopyrite -25.35 -26.36 -1.01 -0.189 0.21409E+04 245 copper,native -1.69 -5.39 -3.69 -1.284 0.77913E+04 246 dolomite,disordered -1.65 -3.74 -2.09 -0.349 0.44171E+04 247 ferrous-oxide 6.94 2.75 -4.19 -1.047 0.88338E+04 248 fluorite -10.64 -12.29 -1.65 -0.549 0.34736E+04 257 silica-amorphous -1.81 -2.45 -0.64 -0.214 0.13546E+04 261 wurtzite -8.50 -9.98 -1.48 -0.494 0.31256E+04 263 an20ab80 -1.42 -2.17 -0.75 -0.058 0.15850E+04 264 an25ab75 -1.11 -1.93 -0.83 -0.064 0.17433E+04 265 an30ab70 -0.79 -1.69 -0.91 -0.070 0.19119E+04 266 tr.625ac.25prg.125 30.48 27.51 -2.96 -0.080 0.62536E+04 271 FeS-amorphous -3.72 -7.81 -4.09 -1.363 0.86310E+04 Calculations done for 188.0000 Deg. C; 11.9839 bar Enthalpies: Pure water 3.4509 kcal/mole H2O,gas 12.0304 kcal/mole CO2,gas 2.0985 kcal/mole CH4,gas 2.0378 kcal/mole Current solution 150.3503 Gas 146.1803 kcal Total current enthalpy 296.5306 kcal Starting enthalpy 296.5306 kcal Temperature changed by -2.000 degrees to 186.000 degrees C. Solids and gases carried ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ Test file for CHIM-XPT. Boil Broadlands Water Water similar to Broadlands Well No. 2 CHIMRUN demo-2a ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ Number of loops used = 11 Loop limit = 200 Temperature = 186.00 C Pressure = 11.46 bar Mixer fraction = 0.0000000 Total current enthalpy = 296.5306 KCAL Water: Moles liquid = 0.4337E+02 kg liquid = 0.7813E+00 Moles total = 0.5551E+02 kg total = 0.1000E+01 Activity = 1.0000 Stoichiometric ionic strength = .4345213E-01 Osmotic coef. = 0.9193 True ionic strength = .4192216E-01 Chg. balance for total moles = 0.2402E-07 Max. difference allowed = 0.3072E-05 Log Log Log Species(n) Molality Molality Activity Activity Gamma Gamma 1 H+ 0.10136E-06 -6.9941 0.75997E-07 -7.1192 0.74978E+00 -0.1251 2 H2O 0.99997E+00 -0.0000 0.99997E+00 -0.0000 3 Cl- 0.38517E-01 -1.4143 0.28533E-01 -1.5447 0.74078E+00 -0.1303 4 SO4-- 0.60561E-06 -6.2178 0.19774E-06 -6.7039 0.32652E+00 -0.4861 5 HCO3- 0.24215E-02 -2.6159 0.18028E-02 -2.7440 0.74450E+00 -0.1281 6 HS- 0.46672E-03 -3.3309 0.34592E-03 -3.4610 0.74117E+00 -0.1301 7 H4SiO4 0.34298E-02 -2.4647 0.34298E-02 -2.4647 0.10000E+01 0.0000 8 Al+++ 0.29512E-21 -21.5300 0.23416E-22 -22.6305 0.79343E-01 -1.1005 9 Ca++ 0.33139E-04 -4.4797 0.10607E-04 -4.9744 0.32008E+00 -0.4947 10 Mg++ 0.11160E-06 -6.9523 0.35209E-07 -7.4533 0.31549E+00 -0.5010 11 Fe++ 0.94459E-11 -11.0248 0.29907E-11 -11.5242 0.31661E+00 -0.4995 12 K+ 0.47416E-02 -2.3241 0.35345E-02 -2.4517 0.74542E+00 -0.1276 13 Na+ 0.37066E-01 -1.4310 0.27461E-01 -1.5613 0.74086E+00 -0.1303 14 Mn++ 0.77323E-09 -9.1117 0.24546E-09 -9.6100 0.31745E+00 -0.4983 15 Zn++ 0.72315E-13 -13.1408 0.22896E-13 -13.6402 0.31661E+00 -0.4995 16 Cu+ 0.19741E-13 -13.7046 0.14623E-13 -13.8350 0.74073E+00 -0.1303 17 Pb++ 0.17981E-13 -13.7452 0.58069E-14 -14.2361 0.32295E+00 -0.4909 18 Hg++ 0.67505E-36 -36.1707 0.21709E-36 -36.6634 0.32159E+00 -0.4927 19 F- 0.30608E-03 -3.5142 0.22473E-03 -3.6483 0.73422E+00 -0.1342 21 HSiO3- 0.84810E-04 -4.0716 0.62826E-04 -4.2019 0.74078E+00 -0.1303 22 Ca(HSiO3)+ 0.11249E-06 -6.9489 0.83904E-07 -7.0762 0.74592E+00 -0.1273 23 Mg(HSiO3)+ 0.32951E-09 -9.4821 0.24579E-09 -9.6094 0.74592E+00 -0.1273 24 NaHSiO3,aq 0.17864E-04 -4.7480 0.17864E-04 -4.7480 0.10000E+01 0.0000 27 HAlO2,aq 0.44897E-08 -8.3478 0.44897E-08 -8.3478 0.10000E+01 0.0000 28 AlO2- 0.12525E-05 -5.9022 0.92083E-06 -6.0358 0.73522E+00 -0.1336 29 CH4,aq 0.33095E-05 -5.4802 0.32652E-05 -5.4861 0.98661E+00 -0.0059 34 CO,aq 0.32541E-09 -9.4876 0.32541E-09 -9.4876 0.10000E+01 0.0000 35 CO2,aq 0.13153E-02 -2.8810 0.12977E-02 -2.8868 0.98661E+00 -0.0059 36 CO3-2 0.30652E-05 -5.5135 0.99462E-06 -6.0023 0.32449E+00 -0.4888 37 CaCO3,aq 0.16717E-05 -5.7768 0.16717E-05 -5.7768 0.10000E+01 0.0000 38 Ca(HCO3)+ 0.42932E-05 -5.3672 0.32024E-05 -5.4945 0.74592E+00 -0.1273 39 CaCl+ 0.47314E-05 -5.3250 0.35292E-05 -5.4523 0.74592E+00 -0.1273 40 CaCl2,aq 0.35988E-07 -7.4438 0.35988E-07 -7.4438 0.10000E+01 0.0000 41 CaF+ 0.35838E-06 -6.4457 0.26732E-06 -6.5730 0.74592E+00 -0.1273 42 CaOH+ 0.12373E-05 -5.9075 0.92290E-06 -6.0348 0.74592E+00 -0.1273 43 CaSO4,aq 0.39277E-08 -8.4059 0.39277E-08 -8.4059 0.10000E+01 0.0000 44 HCl,aq 0.11867E-08 -8.9257 0.11867E-08 -8.9257 0.10000E+01 0.0000 61 HF,aq 0.87488E-06 -6.0581 0.87488E-06 -6.0581 0.10000E+01 0.0000 62 HF2- 0.88816E-10 -10.0515 0.65794E-10 -10.1818 0.74078E+00 -0.1303 69 FeO,aq 0.16900E-10 -10.7721 0.16900E-10 -10.7721 0.10000E+01 0.0000 70 FeOH+ 0.39831E-10 -10.3998 0.29711E-10 -10.5271 0.74592E+00 -0.1273 76 H2,aq 0.67837E-05 -5.1685 0.66928E-05 -5.1744 0.98661E+00 -0.0059 77 Hg,aq 0.14975E-10 -10.8246 0.14774E-10 -10.8305 0.98661E+00 -0.0059 90 KCl,aq 0.12197E-04 -4.9137 0.12197E-04 -4.9137 0.10000E+01 0.0000 92 KOH,aq 0.35452E-06 -6.4504 0.35452E-06 -6.4504 0.10000E+01 0.0000 93 KSO4- 0.59658E-07 -7.2243 0.44194E-07 -7.3546 0.74078E+00 -0.1303 94 MgCO3,aq 0.83337E-09 -9.0792 0.83337E-09 -9.0792 0.10000E+01 0.0000 95 Mg(HCO3)+ 0.13986E-07 -7.8543 0.10432E-07 -7.9816 0.74592E+00 -0.1273 96 MgCl+ 0.96524E-08 -8.0154 0.71999E-08 -8.1427 0.74592E+00 -0.1273 97 MgF+ 0.36441E-08 -8.4384 0.27182E-08 -8.5657 0.74592E+00 -0.1273 98 MgOH+ 0.14682E-07 -7.8332 0.10951E-07 -7.9605 0.74592E+00 -0.1273 101 MnO,aq 0.42318E-10 -10.3735 0.42318E-10 -10.3735 0.10000E+01 0.0000 102 MnOH+ 0.42522E-09 -9.3714 0.31718E-09 -9.4987 0.74592E+00 -0.1273 107 MnCl+ 0.89718E-09 -9.0471 0.66922E-09 -9.1744 0.74592E+00 -0.1273 109 NaCl,aq 0.78532E-03 -3.1050 0.78532E-03 -3.1050 0.10000E+01 0.0000 110 NaF,aq 0.48272E-05 -5.3163 0.48272E-05 -5.3163 0.10000E+01 0.0000 111 NaOH,aq 0.20058E-05 -5.6977 0.20058E-05 -5.6977 0.10000E+01 0.0000 113 OH- 0.78743E-04 -4.1038 0.57893E-04 -4.2374 0.73522E+00 -0.1336 124 Pb(HS)2,aq 0.18412E-08 -8.7349 0.18412E-08 -8.7349 0.10000E+01 0.0000 125 Pb(HS)3- 0.17963E-10 -10.7456 0.13307E-10 -10.8759 0.74078E+00 -0.1303 126 H2S,aq 0.13794E-03 -3.8603 0.13609E-03 -3.8662 0.98661E+00 -0.0059 127 S2-2 0.98785E-10 -10.0053 0.32054E-10 -10.4941 0.32449E+00 -0.4888 135 HSO4- 0.36280E-09 -9.4403 0.27131E-09 -9.5665 0.74782E+00 -0.1262 153 ZnO,aq 0.16140E-10 -10.7921 0.16140E-10 -10.7921 0.10000E+01 0.0000 154 ZnOH+ 0.21053E-09 -9.6767 0.15703E-09 -9.8040 0.74592E+00 -0.1273 164 Cu(HS)2- 0.31810E-07 -7.4974 0.23565E-07 -7.6277 0.74078E+00 -0.1303 166 CuH4S3-b 0.20890E-09 -9.6801 0.15475E-09 -9.8104 0.74078E+00 -0.1303 179 MgSO4,aq 0.49739E-10 -10.3033 0.49739E-10 -10.3033 0.10000E+01 0.0000 180 MnCl2,aq 0.17449E-09 -9.7582 0.17449E-09 -9.7582 0.10000E+01 0.0000 181 MnCl3- 0.26722E-10 -10.5731 0.19795E-10 -10.7034 0.74078E+00 -0.1303 182 MnCO3,aq 0.11369E-08 -8.9443 0.11369E-08 -8.9443 0.10000E+01 0.0000 183 NaCO3- 0.13166E-05 -5.8806 0.97528E-06 -6.0109 0.74078E+00 -0.1303 184 NaHCO3,aq 0.42221E-04 -4.3745 0.42221E-04 -4.3745 0.10000E+01 0.0000 185 NaHS,aq 0.81013E-05 -5.0914 0.81013E-05 -5.0914 0.10000E+01 0.0000 186 NaSO4- 0.14186E-06 -6.8481 0.10509E-06 -6.9784 0.74078E+00 -0.1303 187 PbCO3,aq 0.22386E-09 -9.6500 0.22386E-09 -9.6500 0.10000E+01 0.0000 188 PbOH+ 0.12827E-10 -10.8919 0.95682E-11 -11.0192 0.74592E+00 -0.1273 193 Zn(HS)2,aq 0.12860E-07 -7.8908 0.12860E-07 -7.8908 0.10000E+01 0.0000 194 Zn(HS)3- 0.35866E-09 -9.4453 0.26569E-09 -9.5756 0.74078E+00 -0.1303 Charge balance for all species = 0.3074E-07 Component Molality Aq.molality ppm log[A(N)/A(H+)**Z] (total) 1 H+ 0.1013601E-06 0.1256338E-02 0.1262493E+01 0.0000 2 H2O 0.1000000E+01 0.5550693E+02 0.9969573E+06 0.0000 3 Cl- 0.3851719E-01 0.3931953E-01 0.1389790E+04 5.5745 4 SO4-- 0.6056056E-06 -.4194050E-05 -.4016718E+00 7.5345 5 HCO3- 0.2421533E-02 0.3792764E-02 0.2307257E+03 4.3752 6 HS- 0.4667212E-03 0.6178644E-03 0.2037237E+02 3.6582 7 H4SiO4 0.3429771E-02 0.3532558E-02 0.3385090E+03 -2.4647 8 Al+++ 0.2951212E-21 0.1256957E-05 0.3381228E-01 -1.2729 9 Ca++ 0.3313885E-04 0.4558327E-04 0.1821375E+01 9.2640 10 Mg++ 0.1115999E-06 0.1547765E-06 0.3751575E-02 6.7851 11 Fe++ 0.9445851E-11 0.8578488E-10 0.4776376E-05 2.7142 12 K+ 0.4741639E-02 0.4754251E-02 0.1853399E+03 4.6675 13 Na+ 0.3706623E-01 0.3792803E-01 0.8693275E+03 5.5579 14 Mn++ 0.7732273E-09 0.3483036E-08 0.1907738E-03 4.6284 15 Zn++ 0.7231479E-13 0.1345072E-07 0.8766213E-03 0.5982 16 Cu+ 0.1974093E-13 0.3202409E-07 0.2028672E-02 -6.7158 17 Pb++ 0.1798054E-13 0.2099452E-08 0.4336732E-03 0.0023 18 Hg++ 0.6750540E-36 0.1524643E-10 0.3049055E-05 -22.4250 19 F- 0.3060786E-03 0.3121429E-03 0.5912200E+01 3.4709 Component Tot moles Aq. moles Solid moles Gas moles 1 H+ 0.1822172E+00 0.9815714E-03 -.5306426E-05 0.1812410E+00 2 H2O 0.5550825E+02 0.4336731E+02 -.1018802E-01 0.1215113E+02 3 Cl- 0.3072017E-01 0.3072017E-01 0.0000000E+00 0.1913687E-09 4 SO4-- -.4257700E-02 -.3276792E-05 0.9338456E-09 -.4254424E-02 5 HCO3- 0.1832100E+00 0.2963269E-02 0.0000000E+00 0.1802467E+00 6 HS- 0.9985820E-02 0.4827347E-03 0.4319993E-07 0.9503042E-02 7 H4SiO4 0.7855346E-02 0.2759972E-02 0.5095374E-02 0.0000000E+00 8 Al+++ 0.2253680E-05 0.9820550E-06 0.1271625E-05 0.0000000E+00 9 Ca++ 0.3561400E-04 0.3561400E-04 0.0000000E+00 0.0000000E+00 10 Mg++ 0.2355503E-06 0.1209262E-06 0.1146241E-06 0.0000000E+00 11 Fe++ 0.8017372E-08 0.6702334E-10 0.7950349E-08 0.0000000E+00 12 K+ 0.3715700E-02 0.3714474E-02 0.1225576E-05 0.0000000E+00 13 Na+ 0.2963300E-01 0.2963300E-01 0.0000000E+00 0.0000000E+00 14 Mn++ 0.2740424E-08 0.2721280E-08 0.1914342E-10 0.0000000E+00 15 Zn++ 0.1530000E-07 0.1050899E-07 0.4791010E-08 0.0000000E+00 16 Cu+ 0.6237410E-07 0.2502028E-07 0.3735382E-07 0.0000000E+00 17 Pb++ 0.1110000E-07 0.1640292E-08 0.9459708E-08 0.0000000E+00 18 Hg++ 0.4000000E-08 0.1191196E-10 0.0000000E+00 0.3988088E-08 19 F- 0.2439100E-03 0.2438758E-03 0.0000000E+00 0.3421050E-07 Chg. balance for solid moles: 0.9831E-17 Mass of aqueous solution: 0.783660E+03 g Temperature = 186.00 C Pressure = 11.46 bar Mixer frac. = 0.0000000 Log Log Vol Gas or mineral Moles Moles Grams Grams Wt.% (cm3) H2O,gas 12.32 1.091 221.9 2.346 96.50 0.3788E+05 CO2,gas 0.1773 -0.751 7.804 0.892 3.394 608.3 CH4,gas 0.2933E-02 -2.533 0.4704E-01 -1.328 0.2046E-01 10.47 H2,gas 0.5287E-02 -2.277 0.1068E-01 -1.971 0.4645E-02 17.70 H2S,gas 0.5249E-02 -2.280 0.1789 -0.747 0.7780E-01 17.06 CO,gas 0.2600E-06 -6.585 0.7283E-05 -5.138 0.3168E-05 0.8663E-03 SO2,gas 0.1695E-13 -13.771 0.1086E-11 -11.964 0.4723E-12 0.5648E-10 HF,gas 0.3421E-07 -7.466 0.6842E-06 -6.165 0.2976E-06 0.1140E-03 HCl,gas 0.1914E-09 -9.718 0.6977E-08 -8.156 0.3035E-08 0.6376E-06 Hg,gas 0.3988E-08 -8.399 0.8000E-06 -6.097 0.3479E-06 0.1329E-04 clinochlore 0.2292E-07 -7.640 0.1274E-04 -4.895 0.4161E-02 0.4847E-05 daphnite 0.9592E-10 -10.018 0.6844E-07 -7.165 0.2235E-04 0.2074E-07 chlorite-Mn 0.3829E-11 -11.417 0.2714E-08 -8.566 0.8863E-06 0.8650E-09 microcline 0.1226E-05 -5.912 0.3411E-03 -3.467 0.1114 0.1333E-03 quartz 0.5092E-02 -2.293 0.3059 -0.514 99.88 0.1155 bornite 0.7471E-08 -8.127 0.3749E-05 -5.426 0.1224E-02 0.7375E-06 galena 0.9460E-08 -8.024 0.2263E-05 -5.645 0.7390E-03 0.2979E-06 sphalerite 0.4791E-08 -8.320 0.4668E-06 -6.331 0.1524E-03 0.1142E-06 Partial press. Fugacity coef Log fugacity Gas or Mineral Mole fraction or activity Activity coef Log activity H2O,gas 0.9848E+00 0.1128E+02 0.9288 1.020 CO2,gas 0.1417E-01 0.1624E+00 1.0192 -0.781 CH4,gas 0.2344E-03 0.2686E-02 1.0675 -2.543 H2,gas 0.4226E-03 0.4842E-02 1.0050 -2.313 H2S,gas 0.4195E-03 0.4807E-02 0.9755 -2.329 CO,gas 0.2078E-07 0.2381E-06 1.0000 -6.623 SO2,gas 0.1355E-14 0.1553E-13 1.0000 -13.809 HF,gas 0.2734E-08 0.3133E-07 1.0000 -7.504 HCl,gas 0.1530E-10 0.1753E-09 1.0000 -9.756 Hg,gas 0.3188E-09 0.3653E-08 1.0000 -8.437 clinochlore 0.9957E+00 0.9957E+00 1.0000 -0.002 daphnite 0.4166E-02 0.4166E-02 1.0000 -2.380 chlorite-Mn 0.1663E-03 0.1663E-03 1.0000 -3.779 microcline 0.1000E+01 0.1000E+01 1.0000 0.000 quartz 0.1000E+01 0.1000E+01 1.0000 0.000 bornite 0.1000E+01 0.1000E+01 1.0000 0.000 galena 0.1000E+01 0.1000E+01 1.0000 0.000 sphalerite 0.1000E+01 0.1000E+01 1.0000 0.000 Current weight percent of gas: 22.677680 % Solid products produced: Mass = 0.306265 g Volume = 0.115662 cm3 WARNING: mineral volume may be in error because some mineral densities were not supplied in SOLTHERM. See mineral list in file Skip_Species.txt. NON-Ideal mixing with H2O, CO2, CH4 Gases ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ The following gases and minerals are presently in matrix or were just added Gas or Mineral Log K Log Q Log(Q/K) Log(Q/K)/S Affinity Log Fugacity 1 H2O,gas 0.04 0.04 -0.00 -0.000 0.95154E-10 2 CO2,gas -8.02 -8.02 0.00 0.000 -0.33589E-10 3 CH4,gas 4.10 4.10 0.00 0.000 -0.89571E-10 4 H2,gas 5.96 5.96 0.00 0.000 -0.93303E-11 5 H2S,gas -7.19 -7.19 -0.00 -0.000 0.27991E-10 6 CO,gas 0.41 0.41 -0.00 -0.000 0.69977E-12 7 SO2,gas -3.48 -3.48 0.00 0.000 -0.18661E-11 8 HF,gas -2.20 -2.20 -0.00 -0.000 0.37321E-11 9 HCl,gas 2.15 2.15 -0.00 -0.000 0.93303E-12 10 Hg,gas -10.34 -10.34 0.00 0.000 -0.37321E-11 43 clinochlore 23.99 23.99 0.00 0.000 0.00000E+00 44 daphnite 15.53 15.53 -0.00 -0.000 0.33589E-10 45 chlorite-Mn 32.10 32.10 0.00 0.000 0.00000E+00 115 microcline -4.00 -4.00 -0.00 -0.000 0.74642E-11 146 quartz -2.46 -2.46 0.00 0.000 0.00000E+00 198 bornite -74.48 -74.48 0.00 0.000 -0.29857E-10 249 galena -10.58 -10.58 -0.00 -0.000 0.37321E-11 260 sphalerite -9.98 -9.98 0.00 0.000 0.00000E+00 The following gases and minerals are presently EXCLUDED from matrix (Gases and minerals with log(Q/K) less than -5 are not listed below) Gas or Mineral Log K Log Q Log(Q/K) Log(Q/K)/S Affinity Log Fugacity 11 acmite 5.92 2.05 -3.87 -0.402 0.81263E+04 15 albite-high -1.83 -3.11 -1.28 -0.099 0.26966E+04 16 albite -2.54 -3.11 -0.57 -0.044 0.12060E+04 20 analcite 0.64 -0.64 -1.29 -0.143 0.27027E+04 21 andalusite -1.23 -5.01 -3.78 -0.378 0.79427E+04 23 grossular 20.78 17.85 -2.93 -0.146 0.61527E+04 24 anhydrite -6.97 -11.68 -4.71 -2.356 0.99009E+04 25 ankerite -4.29 -7.75 -3.46 -0.577 0.72730E+04 27 phlogopite 17.87 16.36 -1.52 -0.084 0.31903E+04 29 anorthite 4.44 1.79 -2.65 -0.204 0.55680E+04 32 aragonite -0.21 -0.60 -0.38 -0.128 0.80810E+03 33 brucite 9.77 6.79 -2.98 -0.596 0.62642E+04 34 calcite -0.37 -0.60 -0.23 -0.077 0.48337E+03 35 carnegieite-low 5.23 1.82 -3.41 -0.487 0.71676E+04 36 carnegieite-high 5.95 1.82 -4.13 -0.590 0.86727E+04 37 carpholite-Mg 1.78 -0.69 -2.47 -0.165 0.51917E+04 38 carpholite-Fe 0.21 -4.76 -4.97 -0.331 0.10444E+05 39 celadonite 2.16 0.32 -1.84 -0.108 0.38651E+04 40 celadonite-Fe 0.83 -3.75 -4.58 -0.269 0.96174E+04 41 chrysotile 17.74 15.43 -2.31 -0.193 0.48576E+04 46 chlorite-Al-free 35.06 30.85 -4.21 -0.176 0.88500E+04 47 chloritoid-Mg 5.13 1.77 -3.36 -0.224 0.70512E+04 48 chloritoid-Fe 1.91 -2.30 -4.21 -0.280 0.88390E+04 49 chloritoid-Mn 4.12 -0.38 -4.51 -0.300 0.94650E+04 51 coesite -1.95 -2.46 -0.51 -0.171 0.10807E+04 56 corundum 1.56 -2.55 -4.10 -0.373 0.86221E+04 58 cristobalite -2.18 -2.46 -0.28 -0.095 0.59732E+03 61 cymrite-K -0.48 -4.00 -3.52 -0.293 0.73861E+04 63 diaspore 0.04 -1.27 -1.31 -0.218 0.27529E+04 64 diamond -2.21 -4.68 -2.47 -0.706 0.51932E+04 65 diopside 11.97 11.12 -0.86 -0.086 0.17964E+04 66 hedenbergite 10.30 7.05 -3.25 -0.325 0.68298E+04 67 dolomite,ordered -2.04 -3.68 -1.64 -0.273 0.34447E+04 69 enstatite 12.24 8.64 -3.60 -0.360 0.75636E+04 70 clinoenstatite-HiP 13.13 8.64 -4.49 -0.449 0.94415E+04 71 clinoenstatite 12.16 8.64 -3.52 -0.352 0.74018E+04 72 protoenstatite 12.65 8.64 -4.01 -0.401 0.84231E+04 73 epidote 13.41 10.01 -3.40 -0.165 0.71475E+04 74 clinozoisite 10.20 7.32 -2.88 -0.131 0.60517E+04 78 forsterite 15.29 11.11 -4.19 -0.598 0.87960E+04 81 gibbsite 1.32 -1.27 -2.59 -0.370 0.54430E+04 82 glaucophane 12.83 9.21 -3.62 -0.098 0.76116E+04 84 goethite 4.50 1.42 -3.08 -0.666 0.64715E+04 85 graphite -2.61 -4.68 -2.07 -0.592 0.43503E+04 88 halite 1.30 -3.11 -4.41 -2.204 0.92601E+04 90 heulandite -9.81 -10.53 -0.73 -0.033 0.15292E+04 94 jadeite 1.56 -0.64 -2.20 -0.220 0.46239E+04 96 kalsilite 4.20 0.93 -3.27 -0.468 0.68805E+04 97 kaolinite -5.42 -7.48 -2.05 -0.187 0.43122E+04 98 kyanite -1.24 -5.01 -3.77 -0.377 0.79282E+04 100 laumontite -2.27 -3.14 -0.87 -0.058 0.18231E+04 101 lawsonite 3.28 1.79 -1.49 -0.099 0.31307E+04 102 leucite 1.16 -1.53 -2.70 -0.270 0.56671E+04 104 lizardite 17.33 15.43 -1.91 -0.159 0.40088E+04 105 magnesite -0.91 -3.08 -2.16 -0.721 0.45464E+04 108 minnesotaite-Mg 14.58 10.50 -4.09 -0.240 0.85843E+04 112 margarite 3.62 -0.76 -4.38 -0.175 0.91991E+04 116 monticellite 18.56 13.58 -4.98 -0.711 0.10459E+05 119 muscovite -4.61 -6.55 -1.94 -0.114 0.40744E+04 120 paragonite -3.42 -5.65 -2.24 -0.131 0.46965E+04 121 nepheline 4.65 1.82 -2.83 -0.404 0.59463E+04 133 phlogopite-Na 19.74 17.25 -2.49 -0.138 0.52356E+04 135 prehnite 10.23 8.59 -1.64 -0.097 0.34528E+04 136 prehnite-Fe 14.37 11.28 -3.09 -0.186 0.64994E+04 138 pumpellyite-Mg 26.57 22.69 -3.89 -0.086 0.81642E+04 141 pyrite -19.68 -21.04 -1.36 -0.319 0.28519E+04 142 pyrrhotite -5.09 -7.87 -2.77 -0.924 0.58237E+04 143 pyrrhotiteFe0.875 -6.45 -8.53 -2.08 -0.763 0.43614E+04 144 pyroxmangite 5.46 2.16 -3.29 -0.659 0.69189E+04 145 pyrophyllite -9.84 -12.40 -2.57 -0.161 0.53971E+04 151 rhodochrosite -1.92 -5.23 -3.32 -1.105 0.69663E+04 152 rhodonite 5.48 2.16 -3.32 -0.664 0.69735E+04 153 sanidine -3.01 -4.00 -0.98 -0.076 0.20687E+04 155 siderite -3.62 -7.15 -3.53 -1.177 0.74177E+04 156 sillimanite -1.04 -5.01 -3.97 -0.397 0.83331E+04 163 stilbite -9.69 -10.53 -0.84 -0.040 0.17745E+04 165 stilpnomelane-Mg 14.72 14.00 -0.73 -0.022 0.15283E+04 166 stishovite 2.35 -2.46 -4.81 -1.604 0.10108E+05 169 sulfur -8.67 -13.17 -4.50 -1.384 0.94517E+04 171 talc 11.29 10.50 -0.80 -0.047 0.16720E+04 178 topaz-H -0.81 -5.01 -4.20 -0.382 0.88249E+04 179 tridymite -2.21 -2.46 -0.25 -0.083 0.52539E+03 180 tremolite 34.36 32.74 -1.63 -0.044 0.34195E+04 182 troilite-low -5.16 -7.87 -2.70 -0.901 0.56779E+04 188 wairakite -2.14 -3.14 -1.00 -0.059 0.21079E+04 189 walstromite 9.00 6.80 -2.20 -0.441 0.46326E+04 190 wollastonite 8.16 6.80 -1.36 -0.272 0.28619E+04 191 pseudo-wollastonite 8.55 6.80 -1.75 -0.351 0.36824E+04 192 zoisite 10.24 7.32 -2.92 -0.133 0.61402E+04 193 beidellite-Ca -7.11 -10.48 -3.37 -0.209 0.70887E+04 194 beidellite-H -7.56 -12.01 -4.45 -0.284 0.93448E+04 195 beidellite-K -6.66 -10.47 -3.81 -0.233 0.79980E+04 196 beidellite-Mg -7.32 -10.89 -3.58 -0.221 0.75130E+04 197 beidellite-Na -6.58 -10.18 -3.60 -0.220 0.75626E+04 200 chalcedony -2.31 -2.46 -0.15 -0.051 0.32010E+03 201 chalcocite -22.73 -24.01 -1.29 -0.321 0.27009E+04 202 covellite -16.71 -18.59 -1.89 -0.718 0.39626E+04 204 montmorillonite-Ca -6.21 -8.22 -2.01 -0.124 0.42163E+04 205 montmorillonite-K -5.86 -8.21 -2.34 -0.143 0.49170E+04 206 montmorillonite-Mg -6.45 -8.63 -2.18 -0.135 0.45719E+04 207 montmorillonite-Na -5.72 -7.91 -2.19 -0.134 0.45988E+04 229 tobermorite 8.71 5.25 -3.46 -0.944 0.72709E+04 235 alabandite -2.17 -5.95 -3.78 -1.260 0.79441E+04 240 boehmite 1.13 -1.27 -2.40 -0.400 0.50383E+04 242 chalcopyrite -25.40 -26.46 -1.06 -0.198 0.22306E+04 245 copper,native -1.72 -5.42 -3.70 -1.287 0.77740E+04 246 dolomite,disordered -1.58 -3.68 -2.10 -0.349 0.44017E+04 247 ferrous-oxide 6.99 2.71 -4.28 -1.070 0.89915E+04 248 fluorite -10.62 -12.27 -1.65 -0.552 0.34763E+04 257 silica-amorphous -1.82 -2.46 -0.65 -0.216 0.13585E+04 261 wurtzite -8.49 -9.98 -1.49 -0.496 0.31259E+04 263 an20ab80 -1.36 -2.13 -0.77 -0.059 0.16210E+04 264 an25ab75 -1.04 -1.88 -0.85 -0.065 0.17835E+04 265 an30ab70 -0.71 -1.64 -0.93 -0.072 0.19563E+04 266 tr.625ac.25prg.125 30.75 27.63 -3.12 -0.084 0.65471E+04 271 FeS-amorphous -3.71 -7.87 -4.15 -1.384 0.87253E+04 Calculations done for 186.0000 Deg. C; 11.4583 bar Enthalpies: Pure water 3.4129 kcal/mole H2O,gas 12.0248 kcal/mole CO2,gas 2.0640 kcal/mole CH4,gas 2.0044 kcal/mole Current solution 148.0105 Gas 148.5201 kcal Total current enthalpy 296.5306 kcal Starting enthalpy 296.5306 kcal Temperature changed by -2.000 degrees to 184.000 degrees C. Solids and gases carried ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ Test file for CHIM-XPT. Boil Broadlands Water Water similar to Broadlands Well No. 2 CHIMRUN demo-2a ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ Number of loops used = 10 Loop limit = 200 Temperature = 184.00 C Pressure = 10.95 bar Mixer fraction = 0.0000000 Total current enthalpy = 296.5306 KCAL Water: Moles liquid = 0.4317E+02 kg liquid = 0.7777E+00 Moles total = 0.5551E+02 kg total = 0.1000E+01 Activity = 1.0000 Stoichiometric ionic strength = .4360509E-01 Osmotic coef. = 0.9198 True ionic strength = .4213489E-01 Chg. balance for total moles = 0.2402E-07 Max. difference allowed = 0.3072E-05 Log Log Log Species(n) Molality Molality Activity Activity Gamma Gamma 1 H+ 0.98476E-07 -7.0067 0.73930E-07 -7.1312 0.75074E+00 -0.1245 2 H2O 0.99998E+00 -0.0000 0.99998E+00 -0.0000 3 Cl- 0.38712E-01 -1.4122 0.28715E-01 -1.5419 0.74177E+00 -0.1297 4 SO4-- 0.64883E-06 -6.1879 0.21292E-06 -6.6718 0.32815E+00 -0.4839 5 HCO3- 0.24392E-02 -2.6127 0.18184E-02 -2.7403 0.74546E+00 -0.1276 6 HS- 0.46355E-03 -3.3339 0.34403E-03 -3.4634 0.74216E+00 -0.1295 7 H4SiO4 0.33502E-02 -2.4749 0.33502E-02 -2.4749 0.10000E+01 0.0000 8 Al+++ 0.29858E-21 -21.5249 0.23964E-22 -22.6204 0.80260E-01 -1.0955 9 Ca++ 0.33615E-04 -4.4735 0.10815E-04 -4.9660 0.32172E+00 -0.4925 10 Mg++ 0.11675E-06 -6.9328 0.37026E-07 -7.4315 0.31715E+00 -0.4987 11 Fe++ 0.79967E-11 -11.0971 0.25451E-11 -11.5943 0.31827E+00 -0.4972 12 K+ 0.47639E-02 -2.3220 0.35556E-02 -2.4491 0.74637E+00 -0.1270 13 Na+ 0.37255E-01 -1.4288 0.27637E-01 -1.5585 0.74184E+00 -0.1297 14 Mn++ 0.78618E-09 -9.1045 0.25087E-09 -9.6006 0.31910E+00 -0.4961 15 Zn++ 0.70115E-13 -13.1542 0.22315E-13 -13.6514 0.31827E+00 -0.4972 16 Cu+ 0.17887E-13 -13.7475 0.13267E-13 -13.8772 0.74171E+00 -0.1298 17 Pb++ 0.16571E-13 -13.7807 0.53788E-14 -14.2693 0.32459E+00 -0.4887 18 Hg++ 0.55712E-36 -36.2540 0.18008E-36 -36.7445 0.32323E+00 -0.4905 19 F- 0.30768E-03 -3.5119 0.22623E-03 -3.6455 0.73527E+00 -0.1336 21 HSiO3- 0.85431E-04 -4.0684 0.63370E-04 -4.1981 0.74177E+00 -0.1297 22 Ca(HSiO3)+ 0.11030E-06 -6.9574 0.82377E-07 -7.0842 0.74686E+00 -0.1268 23 Mg(HSiO3)+ 0.33579E-09 -9.4739 0.25079E-09 -9.6007 0.74686E+00 -0.1268 24 NaHSiO3,aq 0.18136E-04 -4.7415 0.18136E-04 -4.7415 0.10000E+01 0.0000 27 HAlO2,aq 0.43016E-08 -8.3664 0.43016E-08 -8.3664 0.10000E+01 0.0000 28 AlO2- 0.11864E-05 -5.9258 0.87353E-06 -6.0587 0.73626E+00 -0.1330 29 CH4,aq 0.30680E-05 -5.5131 0.30268E-05 -5.5190 0.98656E+00 -0.0059 34 CO,aq 0.27837E-09 -9.5554 0.27837E-09 -9.5554 0.10000E+01 0.0000 35 CO2,aq 0.12346E-02 -2.9085 0.12180E-02 -2.9143 0.98656E+00 -0.0059 36 CO3-2 0.32481E-05 -5.4884 0.10593E-05 -5.9750 0.32613E+00 -0.4866 37 CaCO3,aq 0.16981E-05 -5.7700 0.16981E-05 -5.7700 0.10000E+01 0.0000 38 Ca(HCO3)+ 0.41903E-05 -5.3778 0.31295E-05 -5.5045 0.74686E+00 -0.1268 39 CaCl+ 0.46049E-05 -5.3368 0.34392E-05 -5.4635 0.74686E+00 -0.1268 40 CaCl2,aq 0.34627E-07 -7.4606 0.34627E-07 -7.4606 0.10000E+01 0.0000 41 CaF+ 0.34813E-06 -6.4583 0.26000E-06 -6.5850 0.74686E+00 -0.1268 42 CaOH+ 0.11885E-05 -5.9250 0.88766E-06 -6.0518 0.74686E+00 -0.1268 43 CaSO4,aq 0.40986E-08 -8.3874 0.40986E-08 -8.3874 0.10000E+01 0.0000 44 HCl,aq 0.11193E-08 -8.9511 0.11193E-08 -8.9511 0.10000E+01 0.0000 61 HF,aq 0.81607E-06 -6.0883 0.81607E-06 -6.0883 0.10000E+01 0.0000 62 HF2- 0.83526E-10 -10.0782 0.61957E-10 -10.2079 0.74177E+00 -0.1297 69 FeO,aq 0.13355E-10 -10.8744 0.13355E-10 -10.8744 0.10000E+01 0.0000 70 FeOH+ 0.32733E-10 -10.4850 0.24447E-10 -10.6118 0.74686E+00 -0.1268 76 H2,aq 0.62217E-05 -5.2061 0.61381E-05 -5.2120 0.98656E+00 -0.0059 77 Hg,aq 0.13912E-10 -10.8566 0.13725E-10 -10.8625 0.98656E+00 -0.0059 90 KCl,aq 0.11824E-04 -4.9272 0.11824E-04 -4.9272 0.10000E+01 0.0000 92 KOH,aq 0.34908E-06 -6.4571 0.34908E-06 -6.4571 0.10000E+01 0.0000 93 KSO4- 0.62109E-07 -7.2068 0.46070E-07 -7.3366 0.74177E+00 -0.1297 94 MgCO3,aq 0.88231E-09 -9.0544 0.88231E-09 -9.0544 0.10000E+01 0.0000 95 Mg(HCO3)+ 0.14105E-07 -7.8506 0.10534E-07 -7.9774 0.74686E+00 -0.1268 96 MgCl+ 0.97673E-08 -8.0102 0.72948E-08 -8.1370 0.74686E+00 -0.1268 97 MgF+ 0.36660E-08 -8.4358 0.27380E-08 -8.5626 0.74686E+00 -0.1268 98 MgOH+ 0.14638E-07 -7.8345 0.10932E-07 -7.9613 0.74686E+00 -0.1268 101 MnO,aq 0.40149E-10 -10.3963 0.40149E-10 -10.3963 0.10000E+01 0.0000 102 MnOH+ 0.41746E-09 -9.3794 0.31179E-09 -9.5061 0.74686E+00 -0.1268 107 MnCl+ 0.86223E-09 -9.0644 0.64396E-09 -9.1911 0.74686E+00 -0.1268 109 NaCl,aq 0.77241E-03 -3.1122 0.77241E-03 -3.1122 0.10000E+01 0.0000 110 NaF,aq 0.47409E-05 -5.3241 0.47409E-05 -5.3241 0.10000E+01 0.0000 111 NaOH,aq 0.19860E-05 -5.7020 0.19860E-05 -5.7020 0.10000E+01 0.0000 113 OH- 0.78640E-04 -4.1044 0.57900E-04 -4.2373 0.73626E+00 -0.1330 124 Pb(HS)2,aq 0.16772E-08 -8.7754 0.16772E-08 -8.7754 0.10000E+01 0.0000 125 Pb(HS)3- 0.16012E-10 -10.7955 0.11878E-10 -10.9253 0.74177E+00 -0.1297 126 H2S,aq 0.13007E-03 -3.8858 0.12832E-03 -3.8917 0.98656E+00 -0.0059 127 S2-2 0.96794E-10 -10.0141 0.31567E-10 -10.5008 0.32613E+00 -0.4866 135 HSO4- 0.35419E-09 -9.4508 0.26521E-09 -9.5764 0.74876E+00 -0.1257 153 ZnO,aq 0.14773E-10 -10.8305 0.14773E-10 -10.8305 0.10000E+01 0.0000 154 ZnOH+ 0.19350E-09 -9.7133 0.14452E-09 -9.8401 0.74686E+00 -0.1268 164 Cu(HS)2- 0.31230E-07 -7.5054 0.23165E-07 -7.6352 0.74177E+00 -0.1297 166 CuH4S3-b 0.21969E-09 -9.6582 0.16296E-09 -9.7879 0.74177E+00 -0.1297 179 MgSO4,aq 0.53727E-10 -10.2698 0.53727E-10 -10.2698 0.10000E+01 0.0000 180 MnCl2,aq 0.16190E-09 -9.7908 0.16190E-09 -9.7908 0.10000E+01 0.0000 181 MnCl3- 0.24565E-10 -10.6097 0.18221E-10 -10.7394 0.74177E+00 -0.1297 182 MnCO3,aq 0.12012E-08 -8.9204 0.12012E-08 -8.9204 0.10000E+01 0.0000 183 NaCO3- 0.13727E-05 -5.8624 0.10183E-05 -5.9921 0.74177E+00 -0.1297 184 NaHCO3,aq 0.41179E-04 -4.3853 0.41179E-04 -4.3853 0.10000E+01 0.0000 185 NaHS,aq 0.77910E-05 -5.1084 0.77910E-05 -5.1084 0.10000E+01 0.0000 186 NaSO4- 0.15001E-06 -6.8239 0.11127E-06 -6.9536 0.74177E+00 -0.1297 187 PbCO3,aq 0.21263E-09 -9.6724 0.21263E-09 -9.6724 0.10000E+01 0.0000 188 PbOH+ 0.11697E-10 -10.9319 0.87359E-11 -11.0587 0.74686E+00 -0.1268 193 Zn(HS)2,aq 0.11601E-07 -7.9355 0.11601E-07 -7.9355 0.10000E+01 0.0000 194 Zn(HS)3- 0.32854E-09 -9.4834 0.24370E-09 -9.6131 0.74177E+00 -0.1297 Charge balance for all species = 0.3089E-07 Component Molality Aq.molality ppm log[A(N)/A(H+)**Z] (total) 1 H+ 0.9847582E-07 0.1167135E-02 0.1172852E+01 0.0000 2 H2O 0.1000000E+01 0.5550701E+02 0.9969579E+06 0.0000 3 Cl- 0.3871211E-01 0.3950102E-01 0.1396204E+04 5.5893 4 SO4-- 0.6488339E-06 -.3758026E-05 -.3599127E+00 7.5906 5 HCO3- 0.2439247E-02 0.3728661E-02 0.2268259E+03 4.3909 6 HS- 0.4635499E-03 0.6061255E-03 0.1998529E+02 3.6678 7 H4SiO4 0.3350167E-02 0.3453845E-02 0.3309660E+03 -2.4749 8 Al+++ 0.2985759E-21 0.1190739E-05 0.3203097E-01 -1.2269 9 Ca++ 0.3361472E-04 0.4579368E-04 0.1829781E+01 9.2964 10 Mg++ 0.1167462E-06 0.1601937E-06 0.3882877E-02 6.8309 11 Fe++ 0.7996684E-11 0.6968074E-10 0.3879718E-05 2.6681 12 K+ 0.4763887E-02 0.4776122E-02 0.1861924E+03 4.6821 13 Na+ 0.3725534E-01 0.3810311E-01 0.8733395E+03 5.5727 14 Mn++ 0.7861754E-09 0.3500519E-08 0.1917312E-03 4.6618 15 Zn++ 0.7011510E-13 0.1214328E-07 0.7914106E-03 0.6110 16 Cu+ 0.1788699E-13 0.3145372E-07 0.1992538E-02 -6.7460 17 Pb++ 0.1657101E-13 0.1920678E-08 0.3967444E-03 -0.0070 18 Hg++ 0.5571241E-36 0.1417892E-10 0.2835567E-05 -22.4822 19 F- 0.3076772E-03 0.3135862E-03 0.5939533E+01 3.4857 Component Tot moles Aq. moles Solid moles Gas moles 1 H+ 0.1822172E+00 0.9076871E-03 -.5525990E-05 0.1813151E+00 2 H2O 0.5550825E+02 0.4316811E+02 -.1033571E-01 0.1235048E+02 3 Cl- 0.3072017E-01 0.3072017E-01 0.0000000E+00 0.1774529E-09 4 SO4-- -.4257700E-02 -.2922638E-05 0.9478092E-09 -.4254778E-02 5 HCO3- 0.1832100E+00 0.2899801E-02 0.0000000E+00 0.1803102E+00 6 HS- 0.9985820E-02 0.4713872E-03 0.4484447E-07 0.9514388E-02 7 H4SiO4 0.7855346E-02 0.2686075E-02 0.5169271E-02 0.0000000E+00 8 Al+++ 0.2253680E-05 0.9260442E-06 0.1327636E-05 0.0000000E+00 9 Ca++ 0.3561400E-04 0.3561400E-04 0.0000000E+00 0.0000000E+00 10 Mg++ 0.2355503E-06 0.1245835E-06 0.1109667E-06 0.0000000E+00 11 Fe++ 0.8017372E-08 0.5419110E-10 0.7963181E-08 0.0000000E+00 12 K+ 0.3715700E-02 0.3714417E-02 0.1283090E-05 0.0000000E+00 13 Na+ 0.2963300E-01 0.2963300E-01 0.0000000E+00 0.0000000E+00 14 Mn++ 0.2740424E-08 0.2722373E-08 0.1805026E-10 0.0000000E+00 15 Zn++ 0.1530000E-07 0.9443894E-08 0.5856106E-08 0.0000000E+00 16 Cu+ 0.6237410E-07 0.2446173E-07 0.3791237E-07 0.0000000E+00 17 Pb++ 0.1110000E-07 0.1493722E-08 0.9606278E-08 0.0000000E+00 18 Hg++ 0.4000000E-08 0.1102702E-10 0.0000000E+00 0.3988973E-08 19 F- 0.2439100E-03 0.2438777E-03 0.0000000E+00 0.3227232E-07 Chg. balance for solid moles: 0.2501E-16 Mass of aqueous solution: 0.780059E+03 g Temperature = 184.00 C Pressure = 10.95 bar Mixer frac. = 0.0000000 Log Log Vol Gas or mineral Moles Moles Grams Grams Wt.% (cm3) H2O,gas 12.52 1.098 225.5 2.353 96.56 0.4021E+05 CO2,gas 0.1774 -0.751 7.806 0.892 3.343 633.5 CH4,gas 0.2945E-02 -2.531 0.4724E-01 -1.326 0.2023E-01 10.93 H2,gas 0.5238E-02 -2.281 0.1058E-01 -1.975 0.4531E-02 18.27 H2S,gas 0.5260E-02 -2.279 0.1792 -0.747 0.7676E-01 17.82 CO,gas 0.2417E-06 -6.617 0.6769E-05 -5.169 0.2899E-05 0.8388E-03 SO2,gas 0.1512E-13 -13.820 0.9688E-12 -12.014 0.4149E-12 0.5249E-10 HF,gas 0.3227E-07 -7.491 0.6454E-06 -6.190 0.2764E-06 0.1120E-03 HCl,gas 0.1775E-09 -9.751 0.6470E-08 -8.189 0.2771E-08 0.6159E-06 Hg,gas 0.3989E-08 -8.399 0.8001E-06 -6.097 0.3426E-06 0.1385E-04 clinochlore 0.2219E-07 -7.654 0.1234E-04 -4.909 0.3970E-02 0.4692E-05 daphnite 0.7614E-10 -10.118 0.5433E-07 -7.265 0.1748E-04 0.1646E-07 chlorite-Mn 0.3610E-11 -11.442 0.2559E-08 -8.592 0.8237E-06 0.8156E-09 microcline 0.1283E-05 -5.892 0.3571E-03 -3.447 0.1149 0.1395E-03 quartz 0.5165E-02 -2.287 0.3103 -0.508 99.88 0.1172 bornite 0.7582E-08 -8.120 0.3805E-05 -5.420 0.1225E-02 0.7486E-06 galena 0.9606E-08 -8.017 0.2298E-05 -5.639 0.7397E-03 0.3025E-06 sphalerite 0.5856E-08 -8.232 0.5706E-06 -6.244 0.1836E-03 0.1395E-06 Partial press. Fugacity coef Log fugacity Gas or Mineral Mole fraction or activity Activity coef Log activity H2O,gas 0.9850E+00 0.1079E+02 0.9307 1.002 CO2,gas 0.1395E-01 0.1528E+00 1.0193 -0.808 CH4,gas 0.2317E-03 0.2537E-02 1.0655 -2.568 H2,gas 0.4121E-03 0.4513E-02 1.0048 -2.343 H2S,gas 0.4138E-03 0.4531E-02 0.9763 -2.354 CO,gas 0.1901E-07 0.2082E-06 1.0000 -6.682 SO2,gas 0.1190E-14 0.1303E-13 1.0000 -13.885 HF,gas 0.2539E-08 0.2780E-07 1.0000 -7.556 HCl,gas 0.1396E-10 0.1529E-09 1.0000 -9.816 Hg,gas 0.3138E-09 0.3437E-08 1.0000 -8.464 clinochlore 0.9964E+00 0.9964E+00 1.0000 -0.002 daphnite 0.3419E-02 0.3419E-02 1.0000 -2.466 chlorite-Mn 0.1621E-03 0.1621E-03 1.0000 -3.790 microcline 0.1000E+01 0.1000E+01 1.0000 0.000 quartz 0.1000E+01 0.1000E+01 1.0000 0.000 bornite 0.1000E+01 0.1000E+01 1.0000 0.000 galena 0.1000E+01 0.1000E+01 1.0000 0.000 sphalerite 0.1000E+01 0.1000E+01 1.0000 0.000 Current weight percent of gas: 23.032232 % Solid products produced: Mass = 0.310711 g Volume = 0.117341 cm3 WARNING: mineral volume may be in error because some mineral densities were not supplied in SOLTHERM. See mineral list in file Skip_Species.txt. NON-Ideal mixing with H2O, CO2, CH4 Gases ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ The following gases and minerals are presently in matrix or were just added Gas or Mineral Log K Log Q Log(Q/K) Log(Q/K)/S Affinity Log Fugacity 1 H2O,gas 0.04 0.04 -0.00 -0.000 0.93418E-09 2 CO2,gas -8.02 -8.02 0.00 0.000 -0.36415E-09 3 CH4,gas 4.08 4.08 0.00 0.000 -0.86580E-09 4 H2,gas 5.97 5.97 0.00 0.000 -0.57596E-10 5 H2S,gas -7.20 -7.20 -0.00 -0.000 0.29727E-09 6 CO,gas 0.43 0.43 -0.00 -0.000 0.11612E-11 7 SO2,gas -3.42 -3.42 -0.00 -0.000 0.37159E-11 8 HF,gas -2.18 -2.18 0.00 0.000 -0.92896E-12 9 HCl,gas 2.18 2.18 0.00 0.000 -0.74317E-11 10 Hg,gas -10.39 -10.39 0.00 0.000 -0.74317E-11 43 clinochlore 24.28 24.28 -0.00 -0.000 0.14863E-10 44 daphnite 15.79 15.79 -0.00 -0.000 0.40874E-10 45 chlorite-Mn 32.38 32.38 -0.00 -0.000 0.14863E-10 115 microcline -3.97 -3.97 -0.00 -0.000 0.55738E-11 146 quartz -2.47 -2.47 0.00 0.000 0.00000E+00 198 bornite -74.73 -74.73 -0.00 -0.000 0.29727E-10 249 galena -10.60 -10.60 -0.00 -0.000 0.74317E-11 260 sphalerite -9.98 -9.98 -0.00 -0.000 0.74317E-11 The following gases and minerals are presently EXCLUDED from matrix (Gases and minerals with log(Q/K) less than -5 are not listed below) Gas or Mineral Log K Log Q Log(Q/K) Log(Q/K)/S Affinity Log Fugacity 11 acmite 5.95 2.00 -3.95 -0.410 0.82641E+04 15 albite-high -1.78 -3.08 -1.30 -0.100 0.27231E+04 16 albite -2.49 -3.08 -0.59 -0.045 0.12242E+04 20 analcite 0.69 -0.60 -1.30 -0.144 0.27135E+04 21 andalusite -1.11 -4.93 -3.82 -0.382 0.79945E+04 23 grossular 21.01 18.01 -3.00 -0.150 0.62834E+04 24 anhydrite -6.92 -11.64 -4.71 -2.357 0.98603E+04 25 ankerite -4.24 -7.78 -3.54 -0.590 0.74107E+04 27 phlogopite 18.05 16.52 -1.53 -0.085 0.31945E+04 29 anorthite 4.60 1.89 -2.71 -0.208 0.56656E+04 32 aragonite -0.19 -0.58 -0.39 -0.129 0.81160E+03 33 brucite 9.82 6.83 -2.99 -0.598 0.62519E+04 34 calcite -0.34 -0.58 -0.23 -0.078 0.48811E+03 35 carnegieite-low 5.30 1.87 -3.43 -0.491 0.71836E+04 36 carnegieite-high 6.03 1.87 -4.16 -0.594 0.86962E+04 37 carpholite-Mg 1.91 -0.57 -2.49 -0.166 0.52010E+04 39 celadonite 2.22 0.39 -1.84 -0.108 0.38398E+04 40 celadonite-Fe 0.89 -3.78 -4.66 -0.274 0.97549E+04 41 chrysotile 17.85 15.54 -2.31 -0.193 0.48340E+04 46 chlorite-Al-free 35.29 31.09 -4.21 -0.175 0.87979E+04 47 chloritoid-Mg 5.29 1.90 -3.39 -0.226 0.70831E+04 48 chloritoid-Fe 2.05 -2.26 -4.31 -0.288 0.90242E+04 49 chloritoid-Mn 4.27 -0.27 -4.53 -0.302 0.94813E+04 51 coesite -1.96 -2.47 -0.52 -0.172 0.10799E+04 56 corundum 1.69 -2.45 -4.15 -0.377 0.86739E+04 58 cristobalite -2.19 -2.47 -0.29 -0.096 0.60016E+03 61 cymrite-K -0.44 -3.97 -3.53 -0.294 0.73794E+04 63 diaspore 0.09 -1.23 -1.32 -0.220 0.27618E+04 64 diamond -2.23 -4.70 -2.48 -0.708 0.51804E+04 65 diopside 12.06 11.18 -0.88 -0.088 0.18363E+04 66 hedenbergite 10.37 7.01 -3.36 -0.336 0.70290E+04 67 dolomite,ordered -1.98 -3.62 -1.64 -0.273 0.34232E+04 69 enstatite 12.34 8.71 -3.62 -0.362 0.75813E+04 70 clinoenstatite-HiP 13.23 8.71 -4.52 -0.452 0.94590E+04 71 clinoenstatite 12.26 8.71 -3.55 -0.355 0.74195E+04 72 protoenstatite 12.75 8.71 -4.04 -0.404 0.84430E+04 73 epidote 13.63 10.09 -3.54 -0.172 0.74049E+04 74 clinozoisite 10.44 7.49 -2.96 -0.134 0.61831E+04 78 forsterite 15.40 11.19 -4.21 -0.602 0.88153E+04 81 gibbsite 1.37 -1.23 -2.60 -0.371 0.54354E+04 82 glaucophane 13.02 9.38 -3.64 -0.098 0.76129E+04 84 goethite 4.54 1.38 -3.16 -0.683 0.66121E+04 85 graphite -2.63 -4.70 -2.07 -0.593 0.43394E+04 88 halite 1.31 -3.10 -4.41 -2.205 0.92269E+04 90 heulandite -9.73 -10.48 -0.75 -0.034 0.15707E+04 94 jadeite 1.61 -0.60 -2.21 -0.221 0.46274E+04 96 kalsilite 4.27 0.98 -3.29 -0.470 0.68834E+04 97 kaolinite -5.34 -7.40 -2.06 -0.187 0.43116E+04 98 kyanite -1.12 -4.93 -3.81 -0.381 0.79756E+04 100 laumontite -2.17 -3.06 -0.88 -0.059 0.18502E+04 101 lawsonite 3.40 1.89 -1.51 -0.101 0.31600E+04 102 leucite 1.22 -1.49 -2.71 -0.271 0.56788E+04 104 lizardite 17.44 15.54 -1.90 -0.159 0.39788E+04 105 magnesite -0.88 -3.04 -2.16 -0.720 0.45213E+04 108 minnesotaite-Mg 14.70 10.59 -4.10 -0.241 0.85818E+04 112 margarite 3.89 -0.56 -4.45 -0.178 0.93137E+04 119 muscovite -4.46 -6.42 -1.96 -0.115 0.40995E+04 120 paragonite -3.27 -5.53 -2.26 -0.133 0.47357E+04 121 nepheline 4.72 1.87 -2.85 -0.407 0.59632E+04 133 phlogopite-Na 19.93 17.41 -2.51 -0.140 0.52577E+04 135 prehnite 10.41 8.71 -1.70 -0.100 0.35478E+04 136 prehnite-Fe 14.53 11.32 -3.21 -0.193 0.67247E+04 138 pumpellyite-Mg 27.01 23.03 -3.98 -0.088 0.83262E+04 141 pyrite -19.70 -21.11 -1.41 -0.332 0.29482E+04 142 pyrrhotite -5.07 -7.93 -2.85 -0.951 0.59705E+04 143 pyrrhotiteFe0.875 -6.44 -8.58 -2.14 -0.789 0.44856E+04 144 pyroxmangite 5.49 2.19 -3.31 -0.661 0.69179E+04 145 pyrophyllite -9.76 -12.35 -2.59 -0.162 0.54191E+04 151 rhodochrosite -1.90 -5.21 -3.31 -1.104 0.69304E+04 152 rhodonite 5.52 2.19 -3.33 -0.667 0.69730E+04 153 sanidine -2.98 -3.97 -0.99 -0.076 0.20688E+04 155 siderite -3.59 -7.20 -3.61 -1.203 0.75494E+04 156 sillimanite -0.92 -4.93 -4.01 -0.401 0.83863E+04 163 stilbite -9.65 -10.48 -0.83 -0.040 0.17418E+04 165 stilpnomelane-Mg 14.96 14.24 -0.72 -0.022 0.15121E+04 166 stishovite 2.35 -2.47 -4.83 -1.609 0.10100E+05 169 sulfur -8.67 -13.18 -4.50 -1.386 0.94234E+04 171 talc 11.39 10.59 -0.80 -0.047 0.16673E+04 178 topaz-H -0.70 -4.93 -4.23 -0.384 0.88400E+04 179 tridymite -2.22 -2.47 -0.25 -0.084 0.52752E+03 180 tremolite 34.62 32.95 -1.67 -0.045 0.34982E+04 182 troilite-low -5.14 -7.93 -2.78 -0.928 0.58221E+04 188 wairakite -2.02 -3.06 -1.04 -0.061 0.21726E+04 189 walstromite 9.05 6.82 -2.23 -0.446 0.46668E+04 190 wollastonite 8.21 6.82 -1.38 -0.277 0.28955E+04 191 pseudo-wollastonite 8.60 6.82 -1.78 -0.355 0.37182E+04 192 zoisite 10.49 7.49 -3.00 -0.136 0.62715E+04 193 beidellite-Ca -7.00 -10.41 -3.41 -0.211 0.71270E+04 194 beidellite-H -7.46 -11.94 -4.48 -0.286 0.93749E+04 195 beidellite-K -6.56 -10.40 -3.83 -0.235 0.80206E+04 196 beidellite-Mg -7.21 -10.81 -3.61 -0.223 0.75475E+04 197 beidellite-Na -6.47 -10.10 -3.63 -0.222 0.75901E+04 200 chalcedony -2.32 -2.47 -0.15 -0.051 0.32006E+03 201 chalcocite -22.82 -24.09 -1.27 -0.317 0.26496E+04 202 covellite -16.76 -18.63 -1.87 -0.713 0.39154E+04 204 montmorillonite-Ca -6.13 -8.16 -2.03 -0.125 0.42412E+04 205 montmorillonite-K -5.79 -8.15 -2.36 -0.144 0.49288E+04 206 montmorillonite-Mg -6.37 -8.57 -2.20 -0.136 0.45923E+04 207 montmorillonite-Na -5.65 -7.86 -2.21 -0.135 0.46127E+04 229 tobermorite 8.73 5.27 -3.46 -0.945 0.72470E+04 235 alabandite -2.14 -5.93 -3.79 -1.264 0.79292E+04 240 boehmite 1.19 -1.23 -2.42 -0.403 0.50549E+04 242 chalcopyrite -25.45 -26.56 -1.11 -0.207 0.23304E+04 245 copper,native -1.75 -5.45 -3.71 -1.289 0.77544E+04 246 dolomite,disordered -1.52 -3.62 -2.10 -0.349 0.43859E+04 247 ferrous-oxide 7.05 2.67 -4.38 -1.095 0.91624E+04 248 fluorite -10.59 -12.26 -1.66 -0.554 0.34786E+04 257 silica-amorphous -1.82 -2.47 -0.65 -0.217 0.13624E+04 261 wurtzite -8.49 -9.98 -1.49 -0.498 0.31261E+04 263 an20ab80 -1.29 -2.08 -0.79 -0.061 0.16571E+04 264 an25ab75 -0.96 -1.84 -0.87 -0.067 0.18238E+04 265 an30ab70 -0.63 -1.59 -0.96 -0.074 0.20008E+04 266 tr.625ac.25prg.125 31.02 27.75 -3.28 -0.088 0.68582E+04 271 FeS-amorphous -3.70 -7.93 -4.22 -1.407 0.88324E+04 Calculations done for 184.0000 Deg. C; 10.9507 bar Enthalpies: Pure water 3.3749 kcal/mole H2O,gas 12.0189 kcal/mole CO2,gas 2.0299 kcal/mole CH4,gas 1.9715 kcal/mole Current solution 145.6916 Gas 150.8390 kcal Total current enthalpy 296.5306 kcal Starting enthalpy 296.5306 kcal Temperature changed by -2.000 degrees to 182.000 degrees C. Solids and gases carried ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ Test file for CHIM-XPT. Boil Broadlands Water Water similar to Broadlands Well No. 2 CHIMRUN demo-2a ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ Number of loops used = 10 Loop limit = 200 Temperature = 182.00 C Pressure = 10.46 bar Mixer fraction = 0.0000000 Total current enthalpy = 296.5306 KCAL Water: Moles liquid = 0.4297E+02 kg liquid = 0.7741E+00 Moles total = 0.5551E+02 kg total = 0.1000E+01 Activity = 1.0000 Stoichiometric ionic strength = .4376148E-01 Osmotic coef. = 0.9203 True ionic strength = .4234784E-01 Chg. balance for total moles = 0.2402E-07 Max. difference allowed = 0.3072E-05 Log Log Log Species(n) Molality Molality Activity Activity Gamma Gamma 1 H+ 0.95644E-07 -7.0193 0.71896E-07 -7.1433 0.75170E+00 -0.1240 2 H2O 0.99998E+00 -0.0000 0.99998E+00 -0.0000 3 Cl- 0.38907E-01 -1.4100 0.28898E-01 -1.5391 0.74275E+00 -0.1292 4 SO4-- 0.69487E-06 -6.1581 0.22916E-06 -6.6399 0.32979E+00 -0.4818 5 HCO3- 0.24571E-02 -2.6096 0.18340E-02 -2.7366 0.74641E+00 -0.1270 6 HS- 0.46030E-03 -3.3370 0.34206E-03 -3.4659 0.74314E+00 -0.1289 7 H4SiO4 0.32717E-02 -2.4852 0.32717E-02 -2.4852 0.10000E+01 0.0000 8 Al+++ 0.30203E-21 -21.5200 0.24518E-22 -22.6105 0.81179E-01 -1.0906 9 Ca++ 0.34085E-04 -4.4674 0.11022E-04 -4.9577 0.32336E+00 -0.4903 10 Mg++ 0.12216E-06 -6.9131 0.38945E-07 -7.4095 0.31880E+00 -0.4965 11 Fe++ 0.66568E-11 -11.1767 0.21296E-11 -11.6717 0.31991E+00 -0.4950 12 K+ 0.47862E-02 -2.3200 0.35768E-02 -2.4465 0.74731E+00 -0.1265 13 Na+ 0.37445E-01 -1.4266 0.27814E-01 -1.5557 0.74281E+00 -0.1291 14 Mn++ 0.79779E-09 -9.0981 0.25589E-09 -9.5920 0.32075E+00 -0.4938 15 Zn++ 0.67925E-13 -13.1680 0.21730E-13 -13.6629 0.31991E+00 -0.4950 16 Cu+ 0.16237E-13 -13.7895 0.12059E-13 -13.9187 0.74268E+00 -0.1292 17 Pb++ 0.15252E-13 -13.8167 0.49754E-14 -14.3032 0.32622E+00 -0.4865 18 Hg++ 0.45949E-36 -36.3377 0.14927E-36 -36.8260 0.32486E+00 -0.4883 19 F- 0.30927E-03 -3.5097 0.22773E-03 -3.6426 0.73632E+00 -0.1329 21 HSiO3- 0.86010E-04 -4.0655 0.63884E-04 -4.1946 0.74275E+00 -0.1292 22 Ca(HSiO3)+ 0.10808E-06 -6.9662 0.80825E-07 -7.0925 0.74780E+00 -0.1262 23 Mg(HSiO3)+ 0.34220E-09 -9.4657 0.25590E-09 -9.5919 0.74780E+00 -0.1262 24 NaHSiO3,aq 0.18411E-04 -4.7349 0.18411E-04 -4.7349 0.10000E+01 0.0000 27 HAlO2,aq 0.41181E-08 -8.3853 0.41181E-08 -8.3853 0.10000E+01 0.0000 28 AlO2- 0.11229E-05 -5.9496 0.82793E-06 -6.0820 0.73730E+00 -0.1324 29 CH4,aq 0.28450E-05 -5.5459 0.28067E-05 -5.5518 0.98651E+00 -0.0059 34 CO,aq 0.23801E-09 -9.6234 0.23801E-09 -9.6234 0.10000E+01 0.0000 35 CO2,aq 0.11591E-02 -2.9359 0.11434E-02 -2.9418 0.98651E+00 -0.0059 36 CO3-2 0.34414E-05 -5.4633 0.11280E-05 -5.9477 0.32777E+00 -0.4844 37 CaCO3,aq 0.17247E-05 -5.7633 0.17247E-05 -5.7633 0.10000E+01 0.0000 38 Ca(HCO3)+ 0.40894E-05 -5.3883 0.30581E-05 -5.5146 0.74780E+00 -0.1262 39 CaCl+ 0.44811E-05 -5.3486 0.33510E-05 -5.4748 0.74780E+00 -0.1262 40 CaCl2,aq 0.33326E-07 -7.4772 0.33326E-07 -7.4772 0.10000E+01 0.0000 41 CaF+ 0.33813E-06 -6.4709 0.25285E-06 -6.5971 0.74780E+00 -0.1262 42 CaOH+ 0.11407E-05 -5.9428 0.85302E-06 -6.0690 0.74780E+00 -0.1262 43 CaSO4,aq 0.42754E-08 -8.3690 0.42754E-08 -8.3690 0.10000E+01 0.0000 44 HCl,aq 0.10559E-08 -8.9764 0.10559E-08 -8.9764 0.10000E+01 0.0000 61 HF,aq 0.76104E-06 -6.1186 0.76104E-06 -6.1186 0.10000E+01 0.0000 62 HF2- 0.78524E-10 -10.1050 0.58324E-10 -10.2342 0.74275E+00 -0.1292 69 FeO,aq 0.10372E-10 -10.9841 0.10372E-10 -10.9841 0.10000E+01 0.0000 70 FeOH+ 0.26445E-10 -10.5777 0.19776E-10 -10.7039 0.74780E+00 -0.1262 76 H2,aq 0.57035E-05 -5.2439 0.56265E-05 -5.2498 0.98651E+00 -0.0059 77 Hg,aq 0.12941E-10 -10.8880 0.12766E-10 -10.8939 0.98651E+00 -0.0059 90 KCl,aq 0.11462E-04 -4.9408 0.11462E-04 -4.9408 0.10000E+01 0.0000 92 KOH,aq 0.34356E-06 -6.4640 0.34356E-06 -6.4640 0.10000E+01 0.0000 93 KSO4- 0.64650E-07 -7.1894 0.48019E-07 -7.3186 0.74275E+00 -0.1292 94 MgCO3,aq 0.93463E-09 -9.0294 0.93463E-09 -9.0294 0.10000E+01 0.0000 95 Mg(HCO3)+ 0.14232E-07 -7.8467 0.10643E-07 -7.9729 0.74780E+00 -0.1262 96 MgCl+ 0.98888E-08 -8.0049 0.73948E-08 -8.1311 0.74780E+00 -0.1262 97 MgF+ 0.36900E-08 -8.4330 0.27594E-08 -8.5592 0.74780E+00 -0.1262 98 MgOH+ 0.14592E-07 -7.8359 0.10912E-07 -7.9621 0.74780E+00 -0.1262 101 MnO,aq 0.37992E-10 -10.4203 0.37992E-10 -10.4203 0.10000E+01 0.0000 102 MnOH+ 0.40892E-09 -9.3884 0.30579E-09 -9.5146 0.74780E+00 -0.1262 107 MnCl+ 0.82712E-09 -9.0824 0.61852E-09 -9.2086 0.74780E+00 -0.1262 109 NaCl,aq 0.75982E-03 -3.1193 0.75982E-03 -3.1193 0.10000E+01 0.0000 110 NaF,aq 0.46566E-05 -5.3319 0.46566E-05 -5.3319 0.10000E+01 0.0000 111 NaOH,aq 0.19657E-05 -5.7065 0.19657E-05 -5.7065 0.10000E+01 0.0000 113 OH- 0.78493E-04 -4.1052 0.57873E-04 -4.2375 0.73730E+00 -0.1324 124 Pb(HS)2,aq 0.15270E-08 -8.8162 0.15270E-08 -8.8162 0.10000E+01 0.0000 125 Pb(HS)3- 0.14268E-10 -10.8456 0.10597E-10 -10.9748 0.74275E+00 -0.1292 126 H2S,aq 0.12266E-03 -3.9113 0.12100E-03 -3.9172 0.98651E+00 -0.0059 127 S2-2 0.94805E-10 -10.0232 0.31074E-10 -10.5076 0.32777E+00 -0.4844 135 HSO4- 0.34557E-09 -9.4615 0.25907E-09 -9.5866 0.74969E+00 -0.1251 153 ZnO,aq 0.13503E-10 -10.8696 0.13503E-10 -10.8696 0.10000E+01 0.0000 154 ZnOH+ 0.17762E-09 -9.7505 0.13282E-09 -9.8767 0.74780E+00 -0.1262 164 Cu(HS)2- 0.30746E-07 -7.5122 0.22837E-07 -7.6414 0.74275E+00 -0.1292 166 CuH4S3-b 0.23179E-09 -9.6349 0.17216E-09 -9.7641 0.74275E+00 -0.1292 179 MgSO4,aq 0.58033E-10 -10.2363 0.58033E-10 -10.2363 0.10000E+01 0.0000 180 MnCl2,aq 0.14999E-09 -9.8239 0.14999E-09 -9.8239 0.10000E+01 0.0000 181 MnCl3- 0.22541E-10 -10.6470 0.16742E-10 -10.7762 0.74275E+00 -0.1292 182 MnCO3,aq 0.12670E-08 -8.8972 0.12670E-08 -8.8972 0.10000E+01 0.0000 183 NaCO3- 0.14313E-05 -5.8443 0.10631E-05 -5.9734 0.74275E+00 -0.1292 184 NaHCO3,aq 0.40186E-04 -4.3959 0.40186E-04 -4.3959 0.10000E+01 0.0000 185 NaHS,aq 0.74953E-05 -5.1252 0.74953E-05 -5.1252 0.10000E+01 0.0000 186 NaSO4- 0.15858E-06 -6.7998 0.11779E-06 -6.9289 0.74275E+00 -0.1292 187 PbCO3,aq 0.20167E-09 -9.6954 0.20167E-09 -9.6954 0.10000E+01 0.0000 188 PbOH+ 0.10650E-10 -10.9726 0.79641E-11 -11.0989 0.74780E+00 -0.1262 193 Zn(HS)2,aq 0.10475E-07 -7.9798 0.10475E-07 -7.9798 0.10000E+01 0.0000 194 Zn(HS)3- 0.30092E-09 -9.5215 0.22351E-09 -9.6507 0.74275E+00 -0.1292 Charge balance for all species = 0.3103E-07 Component Molality Aq.molality ppm log[A(N)/A(H+)**Z] (total) 1 H+ 0.9564438E-07 0.1083557E-02 0.1088863E+01 0.0000 2 H2O 0.1000000E+01 0.5550708E+02 0.9969580E+06 0.0000 3 Cl- 0.3890724E-01 0.3968308E-01 0.1402637E+04 5.6042 4 SO4-- 0.6948693E-06 -.3348167E-05 -.3206593E+00 7.6467 5 HCO3- 0.2457080E-02 0.3669873E-02 0.2232494E+03 4.4067 6 HS- 0.4602952E-03 0.5948066E-03 0.1961206E+02 3.6774 7 H4SiO4 0.3271687E-02 0.3376217E-02 0.3235268E+03 -2.4852 8 Al+++ 0.3020272E-21 0.1127050E-05 0.3031769E-01 -1.1806 9 Ca++ 0.3408496E-04 0.4600474E-04 0.1838212E+01 9.3288 10 Mg++ 0.1221609E-06 0.1658989E-06 0.4021159E-02 6.8770 11 Fe++ 0.6656771E-11 0.5566206E-10 0.3099175E-05 2.6149 12 K+ 0.4786194E-02 0.4798064E-02 0.1870475E+03 4.6968 13 Na+ 0.3744460E-01 0.3827872E-01 0.8773636E+03 5.5876 14 Mn++ 0.7977893E-09 0.3518094E-08 0.1926936E-03 4.6946 15 Zn++ 0.6792494E-13 0.1097160E-07 0.7150481E-03 0.6237 16 Cu+ 0.1623677E-13 0.3098186E-07 0.1962644E-02 -6.7754 17 Pb++ 0.1525167E-13 0.1756457E-08 0.3628216E-03 -0.0166 18 Hg++ 0.4594856E-36 0.1320290E-10 0.2640374E-05 -22.5394 19 F- 0.3092742E-03 0.3150339E-03 0.5966946E+01 3.5007 Component Tot moles Aq. moles Solid moles Gas moles 1 H+ 0.1822172E+00 0.8388219E-03 -.5735271E-05 0.1813841E+00 2 H2O 0.5550825E+02 0.4297012E+02 -.1048045E-01 0.1254862E+02 3 Cl- 0.3072017E-01 0.3072017E-01 0.0000000E+00 0.1644247E-09 4 SO4-- -.4257700E-02 -.2591942E-05 0.9597470E-09 -.4255109E-02 5 HCO3- 0.1832100E+00 0.2840987E-02 0.0000000E+00 0.1803690E+00 6 HS- 0.9985820E-02 0.4604622E-03 0.4629889E-07 0.9525311E-02 7 H4SiO4 0.7855346E-02 0.2613656E-02 0.5241689E-02 0.0000000E+00 8 Al+++ 0.2253680E-05 0.8724915E-06 0.1381189E-05 0.0000000E+00 9 Ca++ 0.3561400E-04 0.3561400E-04 0.0000000E+00 0.0000000E+00 10 Mg++ 0.2355503E-06 0.1284286E-06 0.1071217E-06 0.0000000E+00 11 Fe++ 0.8017372E-08 0.4309009E-10 0.7974282E-08 0.0000000E+00 12 K+ 0.3715700E-02 0.3714362E-02 0.1338215E-05 0.0000000E+00 13 Na+ 0.2963300E-01 0.2963300E-01 0.0000000E+00 0.0000000E+00 14 Mn++ 0.2740424E-08 0.2723489E-08 0.1693480E-10 0.0000000E+00 15 Zn++ 0.1530000E-07 0.8493526E-08 0.6806474E-08 0.0000000E+00 16 Cu+ 0.6237410E-07 0.2398422E-07 0.3838988E-07 0.0000000E+00 17 Pb++ 0.1110000E-07 0.1359739E-08 0.9740261E-08 0.0000000E+00 18 Hg++ 0.4000000E-08 0.1022086E-10 0.0000000E+00 0.3989779E-08 19 F- 0.2439100E-03 0.2438796E-03 0.0000000E+00 0.3042417E-07 Chg. balance for solid moles: 0.1455E-16 Mass of aqueous solution: 0.776482E+03 g Temperature = 182.00 C Pressure = 10.46 bar Mixer frac. = 0.0000000 Log Log Vol Gas or mineral Moles Moles Grams Grams Wt.% (cm3) H2O,gas 12.72 1.104 229.0 2.360 96.61 0.4267E+05 CO2,gas 0.1774 -0.751 7.808 0.893 3.293 660.0 CH4,gas 0.2958E-02 -2.529 0.4745E-01 -1.324 0.2001E-01 11.42 H2,gas 0.5187E-02 -2.285 0.1048E-01 -1.980 0.4419E-02 18.85 H2S,gas 0.5270E-02 -2.278 0.1796 -0.746 0.7575E-01 18.63 CO,gas 0.2245E-06 -6.649 0.6287E-05 -5.202 0.2652E-05 0.8120E-03 SO2,gas 0.1347E-13 -13.871 0.8630E-12 -12.064 0.3640E-12 0.4874E-10 HF,gas 0.3042E-07 -7.517 0.6085E-06 -6.216 0.2566E-06 0.1101E-03 HCl,gas 0.1644E-09 -9.784 0.5995E-08 -8.222 0.2528E-08 0.5948E-06 Hg,gas 0.3990E-08 -8.399 0.8003E-06 -6.097 0.3375E-06 0.1443E-04 clinochlore 0.2142E-07 -7.669 0.1191E-04 -4.924 0.3780E-02 0.4530E-05 daphnite 0.5926E-10 -10.227 0.4228E-07 -7.374 0.1342E-04 0.1281E-07 chlorite-Mn 0.3387E-11 -11.470 0.2401E-08 -8.620 0.7621E-06 0.7652E-09 microcline 0.1338E-05 -5.873 0.3725E-03 -3.429 0.1182 0.1455E-03 quartz 0.5238E-02 -2.281 0.3147 -0.502 99.88 0.1188 bornite 0.7678E-08 -8.115 0.3853E-05 -5.414 0.1223E-02 0.7580E-06 galena 0.9740E-08 -8.011 0.2330E-05 -5.633 0.7396E-03 0.3067E-06 sphalerite 0.6806E-08 -8.167 0.6632E-06 -6.178 0.2105E-03 0.1622E-06 Partial press. Fugacity coef Log fugacity Gas or Mineral Mole fraction or activity Activity coef Log activity H2O,gas 0.9852E+00 0.1031E+02 0.9327 0.983 CO2,gas 0.1374E-01 0.1438E+00 1.0193 -0.834 CH4,gas 0.2292E-03 0.2397E-02 1.0636 -2.593 H2,gas 0.4018E-03 0.4203E-02 1.0046 -2.374 H2S,gas 0.4083E-03 0.4271E-02 0.9770 -2.380 CO,gas 0.1739E-07 0.1819E-06 1.0000 -6.740 SO2,gas 0.1044E-14 0.1092E-13 1.0000 -13.962 HF,gas 0.2357E-08 0.2465E-07 1.0000 -7.608 HCl,gas 0.1274E-10 0.1332E-09 1.0000 -9.875 Hg,gas 0.3091E-09 0.3233E-08 1.0000 -8.490 clinochlore 0.9971E+00 0.9971E+00 1.0000 -0.001 daphnite 0.2758E-02 0.2758E-02 1.0000 -2.559 chlorite-Mn 0.1576E-03 0.1576E-03 1.0000 -3.802 microcline 0.1000E+01 0.1000E+01 1.0000 0.000 quartz 0.1000E+01 0.1000E+01 1.0000 0.000 bornite 0.1000E+01 0.1000E+01 1.0000 0.000 galena 0.1000E+01 0.1000E+01 1.0000 0.000 sphalerite 0.1000E+01 0.1000E+01 1.0000 0.000 Current weight percent of gas: 23.384604 % Solid products produced: Mass = 0.315067 g Volume = 0.118986 cm3 WARNING: mineral volume may be in error because some mineral densities were not supplied in SOLTHERM. See mineral list in file Skip_Species.txt. NON-Ideal mixing with H2O, CO2, CH4 Gases ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ The following gases and minerals are presently in matrix or were just added Gas or Mineral Log K Log Q Log(Q/K) Log(Q/K)/S Affinity Log Fugacity 1 H2O,gas 0.04 0.04 -0.00 -0.000 0.69762E-09 2 CO2,gas -8.03 -8.03 0.00 0.000 -0.27007E-09 3 CH4,gas 4.05 4.05 0.00 0.000 -0.64558E-09 4 H2,gas 5.97 5.97 0.00 0.000 -0.44395E-10 5 H2S,gas -7.21 -7.21 -0.00 -0.000 0.22013E-09 6 CO,gas 0.46 0.46 0.00 0.000 -0.92490E-12 7 SO2,gas -3.37 -3.37 -0.00 -0.000 0.55494E-11 8 HF,gas -2.16 -2.16 0.00 0.000 -0.18498E-11 9 HCl,gas 2.21 2.21 -0.00 -0.000 0.18498E-11 10 Hg,gas -10.45 -10.45 -0.00 -0.000 0.36996E-11 43 clinochlore 24.57 24.57 -0.00 -0.000 0.22198E-10 44 daphnite 16.05 16.05 -0.00 -0.000 0.22198E-10 45 chlorite-Mn 32.67 32.67 -0.00 -0.000 0.29597E-10 115 microcline -3.94 -3.94 0.00 0.000 -0.27747E-11 146 quartz -2.49 -2.49 -0.00 -0.000 0.92490E-12 198 bornite -74.99 -74.99 0.00 0.000 0.00000E+00 249 galena -10.63 -10.63 0.00 0.000 -0.36996E-11 260 sphalerite -9.99 -9.99 -0.00 -0.000 0.73992E-11 The following gases and minerals are presently EXCLUDED from matrix (Gases and minerals with log(Q/K) less than -5 are not listed below) Gas or Mineral Log K Log Q Log(Q/K) Log(Q/K)/S Affinity Log Fugacity 11 acmite 5.98 1.94 -4.04 -0.420 0.84159E+04 15 albite-high -1.73 -3.05 -1.32 -0.102 0.27497E+04 16 albite -2.45 -3.05 -0.60 -0.046 0.12426E+04 20 analcite 0.74 -0.56 -1.31 -0.145 0.27244E+04 21 andalusite -0.98 -4.85 -3.86 -0.386 0.80463E+04 23 grossular 21.25 18.17 -3.08 -0.154 0.64149E+04 24 anhydrite -6.88 -11.60 -4.72 -2.358 0.98200E+04 25 ankerite -4.19 -7.82 -3.63 -0.605 0.75618E+04 27 phlogopite 18.23 16.69 -1.54 -0.085 0.31990E+04 29 anorthite 4.76 2.00 -2.77 -0.213 0.57635E+04 32 aragonite -0.16 -0.55 -0.39 -0.130 0.81505E+03 33 brucite 9.87 6.88 -3.00 -0.599 0.62398E+04 34 calcite -0.31 -0.55 -0.24 -0.079 0.49281E+03 35 carnegieite-low 5.38 1.92 -3.46 -0.494 0.71997E+04 36 carnegieite-high 6.11 1.92 -4.19 -0.598 0.87197E+04 37 carpholite-Mg 2.05 -0.45 -2.50 -0.167 0.52103E+04 39 celadonite 2.28 0.45 -1.83 -0.108 0.38146E+04 40 celadonite-Fe 0.95 -3.81 -4.76 -0.280 0.99063E+04 41 chrysotile 17.97 15.66 -2.31 -0.192 0.48107E+04 46 chlorite-Al-free 35.52 31.32 -4.20 -0.175 0.87464E+04 47 chloritoid-Mg 5.45 2.03 -3.42 -0.228 0.71150E+04 48 chloritoid-Fe 2.20 -2.23 -4.43 -0.295 0.92231E+04 49 chloritoid-Mn 4.41 -0.15 -4.56 -0.304 0.94994E+04 51 coesite -1.97 -2.49 -0.52 -0.173 0.10792E+04 56 corundum 1.83 -2.36 -4.19 -0.381 0.87255E+04 58 cristobalite -2.20 -2.49 -0.29 -0.097 0.60301E+03 61 cymrite-K -0.40 -3.94 -3.54 -0.295 0.73727E+04 63 diaspore 0.15 -1.18 -1.33 -0.222 0.27708E+04 64 diamond -2.24 -4.72 -2.48 -0.709 0.51671E+04 65 diopside 12.14 11.24 -0.90 -0.090 0.18765E+04 66 hedenbergite 10.45 6.97 -3.48 -0.348 0.72423E+04 67 dolomite,ordered -1.92 -3.55 -1.63 -0.272 0.34014E+04 69 enstatite 12.43 8.78 -3.65 -0.365 0.75992E+04 70 clinoenstatite-HiP 13.33 8.78 -4.55 -0.455 0.94766E+04 71 clinoenstatite 12.35 8.78 -3.57 -0.357 0.74374E+04 72 protoenstatite 12.85 8.78 -4.06 -0.406 0.84631E+04 73 epidote 13.85 10.17 -3.69 -0.179 0.76767E+04 74 clinozoisite 10.69 7.66 -3.03 -0.138 0.63149E+04 78 forsterite 15.51 11.27 -4.24 -0.606 0.88347E+04 81 gibbsite 1.43 -1.18 -2.61 -0.372 0.54279E+04 82 glaucophane 13.22 9.56 -3.66 -0.099 0.76145E+04 84 goethite 4.57 1.33 -3.25 -0.702 0.67665E+04 85 graphite -2.64 -4.72 -2.08 -0.594 0.43279E+04 88 halite 1.32 -3.09 -4.41 -2.207 0.91933E+04 90 heulandite -9.65 -10.43 -0.77 -0.035 0.16127E+04 94 jadeite 1.66 -0.56 -2.22 -0.222 0.46310E+04 96 kalsilite 4.34 1.03 -3.31 -0.472 0.68864E+04 97 kaolinite -5.26 -7.33 -2.07 -0.188 0.43111E+04 98 kyanite -0.99 -4.85 -3.85 -0.385 0.80229E+04 100 laumontite -2.07 -2.97 -0.90 -0.060 0.18777E+04 101 lawsonite 3.53 2.00 -1.53 -0.102 0.31897E+04 102 leucite 1.28 -1.45 -2.73 -0.273 0.56905E+04 104 lizardite 17.56 15.66 -1.90 -0.158 0.39491E+04 105 magnesite -0.84 -3.00 -2.16 -0.720 0.44959E+04 108 minnesotaite-Mg 14.81 10.69 -4.12 -0.242 0.85797E+04 112 margarite 4.16 -0.36 -4.53 -0.181 0.94283E+04 119 muscovite -4.32 -6.30 -1.98 -0.116 0.41245E+04 120 paragonite -3.12 -5.41 -2.29 -0.135 0.47748E+04 121 nepheline 4.79 1.92 -2.87 -0.410 0.59802E+04 133 phlogopite-Na 20.12 17.58 -2.54 -0.141 0.52800E+04 135 prehnite 10.59 8.84 -1.75 -0.103 0.36434E+04 136 prehnite-Fe 14.69 11.35 -3.34 -0.201 0.69645E+04 138 pumpellyite-Mg 27.45 23.38 -4.08 -0.091 0.84894E+04 141 pyrite -19.71 -21.18 -1.47 -0.345 0.30575E+04 142 pyrrhotite -5.05 -7.99 -2.94 -0.981 0.61307E+04 143 pyrrhotiteFe0.875 -6.42 -8.64 -2.22 -0.816 0.46215E+04 144 pyroxmangite 5.53 2.21 -3.32 -0.664 0.69188E+04 145 pyrophyllite -9.69 -12.30 -2.61 -0.163 0.54410E+04 151 rhodochrosite -1.87 -5.19 -3.31 -1.104 0.68961E+04 152 rhodonite 5.56 2.21 -3.35 -0.670 0.69743E+04 153 sanidine -2.95 -3.94 -0.99 -0.076 0.20689E+04 155 siderite -3.57 -7.27 -3.69 -1.232 0.76946E+04 156 sillimanite -0.79 -4.85 -4.05 -0.405 0.84394E+04 163 stilbite -9.61 -10.43 -0.82 -0.039 0.17097E+04 165 stilpnomelane-Mg 15.21 14.49 -0.72 -0.021 0.14965E+04 166 stishovite 2.36 -2.49 -4.85 -1.615 0.10092E+05 169 sulfur -8.68 -13.19 -4.51 -1.388 0.93949E+04 171 talc 11.49 10.69 -0.80 -0.047 0.16629E+04 178 topaz-H -0.59 -4.85 -4.25 -0.387 0.88550E+04 179 tridymite -2.23 -2.49 -0.25 -0.085 0.52966E+03 180 tremolite 34.88 33.16 -1.72 -0.046 0.35779E+04 182 troilite-low -5.12 -7.99 -2.87 -0.957 0.59797E+04 188 wairakite -1.90 -2.97 -1.07 -0.063 0.22376E+04 189 walstromite 9.10 6.84 -2.26 -0.451 0.47014E+04 190 wollastonite 8.25 6.84 -1.41 -0.281 0.29295E+04 191 pseudo-wollastonite 8.65 6.84 -1.80 -0.361 0.37544E+04 192 zoisite 10.73 7.66 -3.07 -0.140 0.64033E+04 193 beidellite-Ca -6.89 -10.33 -3.44 -0.213 0.71653E+04 194 beidellite-H -7.36 -11.87 -4.52 -0.288 0.94051E+04 195 beidellite-K -6.46 -10.32 -3.86 -0.236 0.80431E+04 196 beidellite-Mg -7.10 -10.74 -3.64 -0.225 0.75819E+04 197 beidellite-Na -6.37 -10.03 -3.66 -0.224 0.76174E+04 200 chalcedony -2.33 -2.49 -0.15 -0.051 0.32002E+03 201 chalcocite -22.91 -24.16 -1.25 -0.311 0.25930E+04 202 covellite -16.82 -18.67 -1.86 -0.707 0.38654E+04 204 montmorillonite-Ca -6.06 -8.10 -2.05 -0.127 0.42662E+04 205 montmorillonite-K -5.72 -8.09 -2.37 -0.145 0.49406E+04 206 montmorillonite-Mg -6.29 -8.51 -2.21 -0.137 0.46129E+04 207 montmorillonite-Na -5.58 -7.80 -2.22 -0.136 0.46266E+04 229 tobermorite 8.75 5.29 -3.47 -0.946 0.72235E+04 235 alabandite -2.11 -5.91 -3.80 -1.267 0.79157E+04 240 boehmite 1.25 -1.18 -2.44 -0.406 0.50714E+04 242 chalcopyrite -25.50 -26.67 -1.17 -0.218 0.24408E+04 245 copper,native -1.77 -5.49 -3.71 -1.291 0.77323E+04 246 dolomite,disordered -1.46 -3.55 -2.10 -0.350 0.43698E+04 247 ferrous-oxide 7.10 2.61 -4.49 -1.122 0.93471E+04 248 fluorite -10.57 -12.24 -1.67 -0.557 0.34804E+04 257 silica-amorphous -1.83 -2.49 -0.66 -0.219 0.13664E+04 261 wurtzite -8.48 -9.99 -1.50 -0.500 0.31264E+04 263 an20ab80 -1.23 -2.04 -0.81 -0.063 0.16933E+04 264 an25ab75 -0.89 -1.79 -0.90 -0.069 0.18643E+04 265 an30ab70 -0.55 -1.53 -0.98 -0.076 0.20455E+04 266 tr.625ac.25prg.125 31.30 27.85 -3.45 -0.093 0.71875E+04 271 FeS-amorphous -3.70 -7.99 -4.30 -1.433 0.89528E+04 Calculations done for 182.0000 Deg. C; 10.4608 bar Enthalpies: Pure water 3.3370 kcal/mole H2O,gas 12.0128 kcal/mole CO2,gas 1.9964 kcal/mole CH4,gas 1.9390 kcal/mole Current solution 143.3929 Gas 153.1377 kcal Total current enthalpy 296.5306 kcal Starting enthalpy 296.5306 kcal Temperature changed by -2.000 degrees to 180.000 degrees C. Solids and gases carried ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ Test file for CHIM-XPT. Boil Broadlands Water Water similar to Broadlands Well No. 2 CHIMRUN demo-2a ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ Number of loops used = 10 Loop limit = 200 Temperature = 180.00 C Pressure = 9.99 bar Mixer fraction = 0.0000000 Total current enthalpy = 296.5306 KCAL Water: Moles liquid = 0.4277E+02 kg liquid = 0.7706E+00 Moles total = 0.5551E+02 kg total = 0.1000E+01 Activity = 1.0000 Stoichiometric ionic strength = .4392114E-01 Osmotic coef. = 0.9208 True ionic strength = .4256103E-01 Chg. balance for total moles = 0.2402E-07 Max. difference allowed = 0.3072E-05 Log Log Log Species(n) Molality Molality Activity Activity Gamma Gamma 1 H+ 0.92865E-07 -7.0321 0.69895E-07 -7.1556 0.75265E+00 -0.1234 2 H2O 0.99998E+00 -0.0000 0.99998E+00 -0.0000 3 Cl- 0.39103E-01 -1.4078 0.29082E-01 -1.5364 0.74373E+00 -0.1286 4 SO4-- 0.74389E-06 -6.1285 0.24654E-06 -6.6081 0.33141E+00 -0.4796 5 HCO3- 0.24750E-02 -2.6064 0.18497E-02 -2.7329 0.74735E+00 -0.1265 6 HS- 0.45696E-03 -3.3401 0.34003E-03 -3.4685 0.74411E+00 -0.1284 7 H4SiO4 0.31943E-02 -2.4956 0.31943E-02 -2.4956 0.10000E+01 0.0000 8 Al+++ 0.30546E-21 -21.5150 0.25079E-22 -22.6007 0.82101E-01 -1.0856 9 Ca++ 0.34550E-04 -4.4616 0.11228E-04 -4.9497 0.32499E+00 -0.4881 10 Mg++ 0.12786E-06 -6.8933 0.40971E-07 -7.3875 0.32045E+00 -0.4942 11 Fe++ 0.54465E-11 -11.2639 0.17514E-11 -11.7566 0.32156E+00 -0.4927 12 K+ 0.48086E-02 -2.3180 0.35980E-02 -2.4439 0.74825E+00 -0.1260 13 Na+ 0.37634E-01 -1.4244 0.27991E-01 -1.5530 0.74378E+00 -0.1286 14 Mn++ 0.80800E-09 -9.0926 0.26049E-09 -9.5842 0.32239E+00 -0.4916 15 Zn++ 0.65747E-13 -13.1821 0.21141E-13 -13.6749 0.32156E+00 -0.4927 16 Cu+ 0.14767E-13 -13.8307 0.10981E-13 -13.9593 0.74365E+00 -0.1286 17 Pb++ 0.14019E-13 -13.8533 0.45959E-14 -14.3376 0.32785E+00 -0.4843 18 Hg++ 0.37869E-36 -36.4217 0.12364E-36 -36.9078 0.32649E+00 -0.4861 19 F- 0.31087E-03 -3.5074 0.22922E-03 -3.6397 0.73737E+00 -0.1323 21 HSiO3- 0.86547E-04 -4.0627 0.64367E-04 -4.1913 0.74373E+00 -0.1286 22 Ca(HSiO3)+ 0.10585E-06 -6.9753 0.79254E-07 -7.1010 0.74873E+00 -0.1257 23 Mg(HSiO3)+ 0.34874E-09 -9.4575 0.26111E-09 -9.5832 0.74873E+00 -0.1257 24 NaHSiO3,aq 0.18688E-04 -4.7284 0.18688E-04 -4.7284 0.10000E+01 0.0000 27 HAlO2,aq 0.39394E-08 -8.4046 0.39394E-08 -8.4046 0.10000E+01 0.0000 28 AlO2- 0.10619E-05 -5.9739 0.78404E-06 -6.1057 0.73833E+00 -0.1318 29 CH4,aq 0.26391E-05 -5.5785 0.26033E-05 -5.5845 0.98646E+00 -0.0059 34 CO,aq 0.20340E-09 -9.6916 0.20340E-09 -9.6916 0.10000E+01 0.0000 35 CO2,aq 0.10882E-02 -2.9633 0.10735E-02 -2.9692 0.98646E+00 -0.0059 36 CO3-2 0.36457E-05 -5.4382 0.12009E-05 -5.9205 0.32940E+00 -0.4823 37 CaCO3,aq 0.17515E-05 -5.7566 0.17515E-05 -5.7566 0.10000E+01 0.0000 38 Ca(HCO3)+ 0.39908E-05 -5.3989 0.29880E-05 -5.5246 0.74873E+00 -0.1257 39 CaCl+ 0.43600E-05 -5.3605 0.32645E-05 -5.4862 0.74873E+00 -0.1257 40 CaCl2,aq 0.32083E-07 -7.4937 0.32083E-07 -7.4937 0.10000E+01 0.0000 41 CaF+ 0.32838E-06 -6.4836 0.24587E-06 -6.6093 0.74873E+00 -0.1257 42 CaOH+ 0.10939E-05 -5.9610 0.81903E-06 -6.0867 0.74873E+00 -0.1257 43 CaSO4,aq 0.44586E-08 -8.3508 0.44586E-08 -8.3508 0.10000E+01 0.0000 44 HCl,aq 0.99629E-09 -9.0016 0.99629E-09 -9.0016 0.10000E+01 0.0000 61 HF,aq 0.70956E-06 -6.1490 0.70956E-06 -6.1490 0.10000E+01 0.0000 62 HF2- 0.73797E-10 -10.1320 0.54885E-10 -10.2605 0.74373E+00 -0.1286 70 FeOH+ 0.20995E-10 -10.6779 0.15720E-10 -10.8036 0.74873E+00 -0.1257 76 H2,aq 0.52258E-05 -5.2819 0.51550E-05 -5.2878 0.98646E+00 -0.0059 77 Hg,aq 0.12052E-10 -10.9189 0.11889E-10 -10.9249 0.98646E+00 -0.0059 90 KCl,aq 0.11110E-04 -4.9543 0.11110E-04 -4.9543 0.10000E+01 0.0000 92 KOH,aq 0.33797E-06 -6.4711 0.33797E-06 -6.4711 0.10000E+01 0.0000 93 KSO4- 0.67286E-07 -7.1721 0.50043E-07 -7.3007 0.74373E+00 -0.1286 94 MgCO3,aq 0.99061E-09 -9.0041 0.99061E-09 -9.0041 0.10000E+01 0.0000 95 Mg(HCO3)+ 0.14368E-07 -7.8426 0.10757E-07 -7.9683 0.74873E+00 -0.1257 96 MgCl+ 0.10017E-07 -7.9993 0.75000E-08 -8.1249 0.74873E+00 -0.1257 97 MgF+ 0.37158E-08 -8.4299 0.27822E-08 -8.5556 0.74873E+00 -0.1257 98 MgOH+ 0.14546E-07 -7.8373 0.10891E-07 -7.9629 0.74873E+00 -0.1257 101 MnO,aq 0.35860E-10 -10.4454 0.35860E-10 -10.4454 0.10000E+01 0.0000 102 MnOH+ 0.39966E-09 -9.3983 0.29924E-09 -9.5240 0.74873E+00 -0.1257 107 MnCl+ 0.79200E-09 -9.1013 0.59299E-09 -9.2270 0.74873E+00 -0.1257 109 NaCl,aq 0.74755E-03 -3.1264 0.74755E-03 -3.1264 0.10000E+01 0.0000 110 NaF,aq 0.45743E-05 -5.3397 0.45743E-05 -5.3397 0.10000E+01 0.0000 111 NaOH,aq 0.19449E-05 -5.7111 0.19449E-05 -5.7111 0.10000E+01 0.0000 113 OH- 0.78302E-04 -4.1062 0.57813E-04 -4.2380 0.73833E+00 -0.1318 124 Pb(HS)2,aq 0.13897E-08 -8.8571 0.13897E-08 -8.8571 0.10000E+01 0.0000 125 Pb(HS)3- 0.12708E-10 -10.8959 0.94509E-11 -11.0245 0.74373E+00 -0.1286 126 H2S,aq 0.11568E-03 -3.9368 0.11411E-03 -3.9427 0.98646E+00 -0.0059 127 S2-2 0.92820E-10 -10.0324 0.30575E-10 -10.5146 0.32940E+00 -0.4823 135 HSO4- 0.33694E-09 -9.4725 0.25291E-09 -9.5970 0.75061E+00 -0.1246 153 ZnO,aq 0.12326E-10 -10.9092 0.12326E-10 -10.9092 0.10000E+01 0.0000 154 ZnOH+ 0.16282E-09 -9.7883 0.12191E-09 -9.9140 0.74873E+00 -0.1257 164 Cu(HS)2- 0.30358E-07 -7.5177 0.22578E-07 -7.6463 0.74373E+00 -0.1286 166 CuH4S3-b 0.24538E-09 -9.6102 0.18249E-09 -9.7388 0.74373E+00 -0.1286 179 MgSO4,aq 0.62685E-10 -10.2028 0.62685E-10 -10.2028 0.10000E+01 0.0000 180 MnCl2,aq 0.13875E-09 -9.8578 0.13875E-09 -9.8578 0.10000E+01 0.0000 181 MnCl3- 0.20646E-10 -10.6852 0.15355E-10 -10.8138 0.74373E+00 -0.1286 182 MnCO3,aq 0.13343E-08 -8.8748 0.13343E-08 -8.8748 0.10000E+01 0.0000 183 NaCO3- 0.14924E-05 -5.8261 0.11099E-05 -5.9547 0.74373E+00 -0.1286 184 NaHCO3,aq 0.39240E-04 -4.4063 0.39240E-04 -4.4063 0.10000E+01 0.0000 185 NaHS,aq 0.72134E-05 -5.1419 0.72134E-05 -5.1419 0.10000E+01 0.0000 186 NaSO4- 0.16761E-06 -6.7757 0.12465E-06 -6.9043 0.74373E+00 -0.1286 187 PbCO3,aq 0.19100E-09 -9.7190 0.19100E-09 -9.7190 0.10000E+01 0.0000 193 Zn(HS)2,aq 0.94659E-08 -8.0238 0.94659E-08 -8.0238 0.10000E+01 0.0000 194 Zn(HS)3- 0.27559E-09 -9.5597 0.20496E-09 -9.6883 0.74373E+00 -0.1286 Charge balance for all species = 0.3117E-07 Component Molality Aq.molality ppm log[A(N)/A(H+)**Z] (total) 1 H+ 0.9286502E-07 0.1005229E-02 0.1010150E+01 0.0000 2 H2O 0.1000000E+01 0.5550715E+02 0.9969576E+06 0.0000 3 Cl- 0.3910264E-01 0.3986574E-01 0.1409091E+04 5.6192 4 SO4-- 0.7438930E-06 -.2961909E-05 -.2836663E+00 7.7030 5 HCO3- 0.2475031E-02 0.3616049E-02 0.2199748E+03 4.4227 6 HS- 0.4569596E-03 0.5838785E-03 0.1925171E+02 3.6871 7 H4SiO4 0.3194339E-02 0.3299680E-02 0.3161922E+03 -2.4956 8 Al+++ 0.3054621E-21 0.1065860E-05 0.2867163E-01 -1.1340 9 Ca++ 0.3454951E-04 0.4621650E-04 0.1846670E+01 9.3614 10 Mg++ 0.1278571E-06 0.1719054E-06 0.4166740E-02 6.9236 11 Fe++ 0.5446531E-11 0.4371028E-10 0.2433715E-05 2.5545 12 K+ 0.4808565E-02 0.4820080E-02 0.1879055E+03 4.7116 13 Na+ 0.3763404E-01 0.3845492E-01 0.8814006E+03 5.6026 14 Mn++ 0.8080048E-09 0.3535755E-08 0.1936606E-03 4.7269 15 Zn++ 0.6574701E-13 0.9920697E-08 0.6465572E-03 0.6362 16 Cu+ 0.1476685E-13 0.3060684E-07 0.1938884E-02 -6.8038 17 Pb++ 0.1401857E-13 0.1605638E-08 0.3316674E-03 -0.0265 18 Hg++ 0.3786918E-36 0.1230957E-10 0.2461718E-05 -22.5967 19 F- 0.3108701E-03 0.3164862E-03 0.5994445E+01 3.5158 Component Tot moles Aq. moles Solid moles Gas moles 1 H+ 0.1822172E+00 0.7746198E-03 -.5934493E-05 0.1814485E+00 2 H2O 0.5550825E+02 0.4277329E+02 -.1062226E-01 0.1274559E+02 3 Cl- 0.3072017E-01 0.3072017E-01 0.0000000E+00 0.1522388E-09 4 SO4-- -.4257700E-02 -.2282420E-05 0.9697189E-09 -.4255419E-02 5 HCO3- 0.1832100E+00 0.2786494E-02 0.0000000E+00 0.1804235E+00 6 HS- 0.9985820E-02 0.4499314E-03 0.4757920E-07 0.9535841E-02 7 H4SiO4 0.7855346E-02 0.2542703E-02 0.5312643E-02 0.0000000E+00 8 Al+++ 0.2253680E-05 0.8213416E-06 0.1432339E-05 0.0000000E+00 9 Ca++ 0.3561400E-04 0.3561400E-04 0.0000000E+00 0.0000000E+00 10 Mg++ 0.2355503E-06 0.1324687E-06 0.1030816E-06 0.0000000E+00 11 Fe++ 0.8017372E-08 0.3368273E-10 0.7983689E-08 0.0000000E+00 12 K+ 0.3715700E-02 0.3714309E-02 0.1391009E-05 0.0000000E+00 13 Na+ 0.2963300E-01 0.2963300E-01 0.0000000E+00 0.0000000E+00 14 Mn++ 0.2740424E-08 0.2724620E-08 0.1580408E-10 0.0000000E+00 15 Zn++ 0.1530000E-07 0.7644796E-08 0.7655204E-08 0.0000000E+00 16 Cu+ 0.6237410E-07 0.2358534E-07 0.3878876E-07 0.0000000E+00 17 Pb++ 0.1110000E-07 0.1237290E-08 0.9862710E-08 0.0000000E+00 18 Hg++ 0.4000000E-08 0.9485636E-11 0.0000000E+00 0.3990514E-08 19 F- 0.2439100E-03 0.2438813E-03 0.0000000E+00 0.2866341E-07 Chg. balance for solid moles: -.7672E-17 Mass of aqueous solution: 0.772925E+03 g Temperature = 180.00 C Pressure = 9.99 bar Mixer frac. = 0.0000000 Log Log Vol Gas or mineral Moles Moles Grams Grams Wt.% (cm3) H2O,gas 12.91 1.111 232.6 2.367 96.66 0.4529E+05 CO2,gas 0.1775 -0.751 7.810 0.893 3.245 688.0 CH4,gas 0.2972E-02 -2.527 0.4767E-01 -1.322 0.1981E-01 11.94 H2,gas 0.5134E-02 -2.290 0.1037E-01 -1.984 0.4310E-02 19.45 H2S,gas 0.5280E-02 -2.277 0.1800 -0.745 0.7478E-01 19.47 CO,gas 0.2083E-06 -6.681 0.5836E-05 -5.234 0.2425E-05 0.7859E-03 SO2,gas 0.1199E-13 -13.921 0.7678E-12 -12.115 0.3190E-12 0.4521E-10 HF,gas 0.2866E-07 -7.543 0.5733E-06 -6.242 0.2382E-06 0.1081E-03 HCl,gas 0.1522E-09 -9.817 0.5551E-08 -8.256 0.2307E-08 0.5743E-06 Hg,gas 0.3991E-08 -8.399 0.8005E-06 -6.097 0.3326E-06 0.1505E-04 clinochlore 0.2062E-07 -7.686 0.1146E-04 -4.941 0.3588E-02 0.4359E-05 daphnite 0.4519E-10 -10.345 0.3224E-07 -7.492 0.1010E-04 0.9770E-08 chlorite-Mn 0.3161E-11 -11.500 0.2241E-08 -8.650 0.7017E-06 0.7141E-09 microcline 0.1391E-05 -5.857 0.3872E-03 -3.412 0.1212 0.1512E-03 quartz 0.5308E-02 -2.275 0.3189 -0.496 99.87 0.1204 bornite 0.7758E-08 -8.110 0.3893E-05 -5.410 0.1219E-02 0.7659E-06 galena 0.9863E-08 -8.006 0.2360E-05 -5.627 0.7389E-03 0.3106E-06 sphalerite 0.7655E-08 -8.116 0.7458E-06 -6.127 0.2336E-03 0.1824E-06 Partial press. Fugacity coef Log fugacity Gas or Mineral Mole fraction or activity Activity coef Log activity H2O,gas 0.9854E+00 0.9843E+01 0.9345 0.964 CO2,gas 0.1354E-01 0.1352E+00 1.0192 -0.861 CH4,gas 0.2268E-03 0.2265E-02 1.0617 -2.619 H2,gas 0.3917E-03 0.3913E-02 1.0044 -2.406 H2S,gas 0.4029E-03 0.4024E-02 0.9778 -2.405 CO,gas 0.1590E-07 0.1588E-06 1.0000 -6.799 SO2,gas 0.9145E-15 0.9134E-14 1.0000 -14.039 HF,gas 0.2187E-08 0.2184E-07 1.0000 -7.661 HCl,gas 0.1162E-10 0.1160E-09 1.0000 -9.935 Hg,gas 0.3045E-09 0.3041E-08 1.0000 -8.517 clinochlore 0.9977E+00 0.9977E+00 1.0000 -0.001 daphnite 0.2187E-02 0.2187E-02 1.0000 -2.660 chlorite-Mn 0.1530E-03 0.1530E-03 1.0000 -3.815 microcline 0.1000E+01 0.1000E+01 1.0000 0.000 quartz 0.1000E+01 0.1000E+01 1.0000 0.000 bornite 0.1000E+01 0.1000E+01 1.0000 0.000 galena 0.1000E+01 0.1000E+01 1.0000 0.000 sphalerite 0.1000E+01 0.1000E+01 1.0000 0.000 Current weight percent of gas: 23.734875 % Solid products produced: Mass = 0.319335 g Volume = 0.120598 cm3 WARNING: mineral volume may be in error because some mineral densities were not supplied in SOLTHERM. See mineral list in file Skip_Species.txt. NON-Ideal mixing with H2O, CO2, CH4 Gases ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ The following gases and minerals are presently in matrix or were just added Gas or Mineral Log K Log Q Log(Q/K) Log(Q/K)/S Affinity Log Fugacity 1 H2O,gas 0.04 0.04 -0.00 -0.000 0.51748E-09 2 CO2,gas -8.03 -8.03 0.00 0.000 -0.20258E-09 3 CH4,gas 4.03 4.03 0.00 0.000 -0.47699E-09 4 H2,gas 5.98 5.98 0.00 0.000 -0.33150E-10 5 H2S,gas -7.22 -7.22 -0.00 -0.000 0.16575E-09 6 CO,gas 0.48 0.48 0.00 0.000 -0.18417E-11 7 SO2,gas -3.31 -3.31 -0.00 -0.000 0.18417E-11 8 HF,gas -2.14 -2.14 0.00 0.000 -0.73667E-11 9 HCl,gas 2.24 2.24 0.00 0.000 -0.18417E-11 10 Hg,gas -10.51 -10.51 0.00 0.000 0.00000E+00 43 clinochlore 24.87 24.87 0.00 0.000 0.00000E+00 44 daphnite 16.32 16.32 -0.00 -0.000 0.29467E-10 45 chlorite-Mn 32.96 32.96 -0.00 -0.000 0.29467E-10 115 microcline -3.91 -3.91 0.00 0.000 0.00000E+00 146 quartz -2.50 -2.50 0.00 0.000 0.00000E+00 198 bornite -75.25 -75.25 0.00 0.000 -0.58934E-10 249 galena -10.65 -10.65 0.00 0.000 0.00000E+00 260 sphalerite -9.99 -9.99 0.00 0.000 -0.36833E-11 The following gases and minerals are presently EXCLUDED from matrix (Gases and minerals with log(Q/K) less than -5 are not listed below) Gas or Mineral Log K Log Q Log(Q/K) Log(Q/K)/S Affinity Log Fugacity 11 acmite 6.02 1.88 -4.14 -0.430 0.85818E+04 15 albite-high -1.68 -3.02 -1.34 -0.103 0.27764E+04 16 albite -2.41 -3.02 -0.61 -0.047 0.12610E+04 20 analcite 0.80 -0.52 -1.32 -0.147 0.27354E+04 21 andalusite -0.86 -4.76 -3.91 -0.391 0.80979E+04 23 grossular 21.49 18.33 -3.16 -0.158 0.65472E+04 24 anhydrite -6.84 -11.56 -4.72 -2.358 0.97799E+04 25 ankerite -4.13 -7.86 -3.73 -0.621 0.77265E+04 27 phlogopite 18.41 16.86 -1.54 -0.086 0.32036E+04 29 anorthite 4.93 2.10 -2.83 -0.217 0.58615E+04 32 aragonite -0.13 -0.53 -0.39 -0.132 0.81844E+03 33 brucite 9.93 6.92 -3.00 -0.601 0.62277E+04 34 calcite -0.29 -0.53 -0.24 -0.080 0.49745E+03 35 carnegieite-low 5.45 1.97 -3.48 -0.497 0.72158E+04 36 carnegieite-high 6.19 1.97 -4.22 -0.602 0.87434E+04 37 carpholite-Mg 2.18 -0.34 -2.52 -0.168 0.52197E+04 39 celadonite 2.35 0.52 -1.83 -0.108 0.37894E+04 40 celadonite-Fe 1.01 -3.85 -4.86 -0.286 0.10072E+05 41 chrysotile 18.09 15.78 -2.31 -0.192 0.47877E+04 46 chlorite-Al-free 35.75 31.56 -4.19 -0.175 0.86955E+04 47 chloritoid-Mg 5.61 2.16 -3.45 -0.230 0.71468E+04 48 chloritoid-Fe 2.34 -2.21 -4.55 -0.303 0.94358E+04 49 chloritoid-Mn 4.55 -0.04 -4.59 -0.306 0.95191E+04 51 coesite -1.98 -2.50 -0.52 -0.173 0.10784E+04 56 corundum 1.96 -2.27 -4.23 -0.385 0.87770E+04 58 cristobalite -2.20 -2.50 -0.29 -0.097 0.60589E+03 61 cymrite-K -0.36 -3.91 -3.55 -0.296 0.73661E+04 63 diaspore 0.21 -1.13 -1.34 -0.223 0.27796E+04 64 diamond -2.26 -4.74 -2.49 -0.710 0.51532E+04 65 diopside 12.22 11.29 -0.92 -0.092 0.19171E+04 66 hedenbergite 10.53 6.92 -3.60 -0.360 0.74699E+04 67 dolomite,ordered -1.86 -3.49 -1.63 -0.272 0.33792E+04 69 enstatite 12.53 8.86 -3.67 -0.367 0.76173E+04 70 clinoenstatite-HiP 13.43 8.86 -4.58 -0.458 0.94944E+04 71 clinoenstatite 12.45 8.86 -3.60 -0.360 0.74555E+04 72 protoenstatite 12.95 8.86 -4.09 -0.409 0.84834E+04 73 epidote 14.08 10.24 -3.84 -0.186 0.79629E+04 74 clinozoisite 10.94 7.83 -3.11 -0.141 0.64472E+04 78 forsterite 15.62 11.35 -4.27 -0.610 0.88543E+04 81 gibbsite 1.48 -1.13 -2.61 -0.373 0.54204E+04 82 glaucophane 13.42 9.74 -3.67 -0.099 0.76166E+04 84 goethite 4.61 1.27 -3.34 -0.723 0.69349E+04 85 graphite -2.66 -4.74 -2.08 -0.595 0.43160E+04 88 halite 1.33 -3.09 -4.42 -2.209 0.91595E+04 90 heulandite -9.58 -10.38 -0.80 -0.036 0.16552E+04 94 jadeite 1.71 -0.52 -2.24 -0.224 0.46346E+04 96 kalsilite 4.40 1.08 -3.32 -0.475 0.68893E+04 97 kaolinite -5.18 -7.26 -2.08 -0.189 0.43105E+04 98 kyanite -0.87 -4.76 -3.89 -0.389 0.80700E+04 100 laumontite -1.97 -2.89 -0.92 -0.061 0.19057E+04 101 lawsonite 3.65 2.10 -1.55 -0.104 0.32197E+04 102 leucite 1.34 -1.41 -2.75 -0.275 0.57022E+04 104 lizardite 17.67 15.78 -1.89 -0.158 0.39197E+04 105 magnesite -0.81 -2.96 -2.16 -0.719 0.44702E+04 108 minnesotaite-Mg 14.93 10.79 -4.14 -0.243 0.85779E+04 112 margarite 4.44 -0.17 -4.60 -0.184 0.95431E+04 119 muscovite -4.18 -6.18 -2.00 -0.118 0.41494E+04 120 paragonite -2.96 -5.29 -2.32 -0.137 0.48139E+04 121 nepheline 4.87 1.97 -2.89 -0.413 0.59973E+04 133 phlogopite-Na 20.31 17.75 -2.56 -0.142 0.53026E+04 135 prehnite 10.77 8.97 -1.80 -0.106 0.37395E+04 136 prehnite-Fe 14.85 11.37 -3.48 -0.209 0.72189E+04 138 pumpellyite-Mg 27.90 23.73 -4.17 -0.093 0.86536E+04 141 pyrite -19.73 -21.27 -1.53 -0.361 0.31801E+04 142 pyrrhotite -5.03 -8.07 -3.04 -1.013 0.63044E+04 143 pyrrhotiteFe0.875 -6.41 -8.71 -2.30 -0.846 0.47692E+04 144 pyroxmangite 5.57 2.23 -3.34 -0.668 0.69214E+04 145 pyrophyllite -9.62 -12.25 -2.63 -0.165 0.54628E+04 151 rhodochrosite -1.85 -5.16 -3.31 -1.103 0.68631E+04 152 rhodonite 5.60 2.23 -3.36 -0.673 0.69774E+04 153 sanidine -2.91 -3.91 -1.00 -0.077 0.20690E+04 155 siderite -3.55 -7.33 -3.79 -1.262 0.78534E+04 156 sillimanite -0.67 -4.76 -4.10 -0.410 0.84923E+04 163 stilbite -9.57 -10.38 -0.81 -0.039 0.16782E+04 165 stilpnomelane-Mg 15.46 14.74 -0.71 -0.021 0.14814E+04 166 stishovite 2.37 -2.50 -4.86 -1.621 0.10084E+05 169 sulfur -8.68 -13.20 -4.52 -1.390 0.93660E+04 171 talc 11.59 10.79 -0.80 -0.047 0.16587E+04 178 topaz-H -0.49 -4.76 -4.28 -0.389 0.88700E+04 179 tridymite -2.24 -2.50 -0.26 -0.085 0.53182E+03 180 tremolite 35.14 33.38 -1.76 -0.048 0.36587E+04 182 troilite-low -5.10 -8.07 -2.97 -0.989 0.61509E+04 188 wairakite -1.78 -2.89 -1.11 -0.065 0.23028E+04 189 walstromite 9.15 6.87 -2.28 -0.457 0.47362E+04 190 wollastonite 8.30 6.87 -1.43 -0.286 0.29637E+04 191 pseudo-wollastonite 8.69 6.87 -1.83 -0.366 0.37908E+04 192 zoisite 10.99 7.83 -3.15 -0.143 0.65356E+04 193 beidellite-Ca -6.78 -10.26 -3.47 -0.215 0.72036E+04 194 beidellite-H -7.25 -11.80 -4.55 -0.290 0.94352E+04 195 beidellite-K -6.36 -10.25 -3.89 -0.238 0.80656E+04 196 beidellite-Mg -6.99 -10.66 -3.67 -0.227 0.76163E+04 197 beidellite-Na -6.27 -9.95 -3.69 -0.226 0.76448E+04 200 chalcedony -2.34 -2.50 -0.15 -0.051 0.31999E+03 201 chalcocite -23.01 -24.23 -1.22 -0.305 0.25310E+04 202 covellite -16.88 -18.71 -1.84 -0.700 0.38126E+04 204 montmorillonite-Ca -5.98 -8.05 -2.07 -0.128 0.42913E+04 205 montmorillonite-K -5.65 -8.04 -2.39 -0.146 0.49523E+04 206 montmorillonite-Mg -6.21 -8.45 -2.23 -0.138 0.46334E+04 207 montmorillonite-Na -5.50 -7.74 -2.24 -0.137 0.46405E+04 229 tobermorite 8.77 5.30 -3.47 -0.947 0.72003E+04 235 alabandite -2.09 -5.90 -3.81 -1.271 0.79036E+04 240 boehmite 1.32 -1.13 -2.45 -0.409 0.50880E+04 242 chalcopyrite -25.55 -26.78 -1.24 -0.230 0.25619E+04 245 copper,native -1.80 -5.52 -3.72 -1.293 0.77077E+04 246 dolomite,disordered -1.39 -3.49 -2.10 -0.350 0.43533E+04 247 ferrous-oxide 7.16 2.55 -4.60 -1.151 0.95458E+04 248 fluorite -10.55 -12.23 -1.68 -0.560 0.34818E+04 257 silica-amorphous -1.83 -2.50 -0.66 -0.220 0.13703E+04 261 wurtzite -8.48 -9.99 -1.51 -0.503 0.31266E+04 263 an20ab80 -1.16 -1.99 -0.83 -0.064 0.17296E+04 264 an25ab75 -0.82 -1.74 -0.92 -0.071 0.19048E+04 265 an30ab70 -0.47 -1.48 -1.01 -0.078 0.20902E+04 266 tr.625ac.25prg.125 31.58 27.95 -3.63 -0.098 0.75351E+04 271 FeS-amorphous -3.69 -8.07 -4.38 -1.461 0.90867E+04 Calculations done for 180.0000 Deg. C; 9.9881 bar Enthalpies: Pure water 3.2991 kcal/mole H2O,gas 12.0064 kcal/mole CO2,gas 1.9633 kcal/mole CH4,gas 1.9069 kcal/mole Current solution 141.1142 Gas 155.4164 kcal Total current enthalpy 296.5306 kcal Starting enthalpy 296.5306 kcal Temperature changed by -2.000 degrees to 178.000 degrees C. Solids and gases carried ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ Test file for CHIM-XPT. Boil Broadlands Water Water similar to Broadlands Well No. 2 CHIMRUN demo-2a ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ Number of loops used = 10 Loop limit = 200 Temperature = 178.00 C Pressure = 9.53 bar Mixer fraction = 0.0000000 Total current enthalpy = 296.5306 KCAL Water: Moles liquid = 0.4258E+02 kg liquid = 0.7671E+00 Moles total = 0.5551E+02 kg total = 0.1000E+01 Activity = 1.0000 Stoichiometric ionic strength = .4408394E-01 Osmotic coef. = 0.9212 True ionic strength = .4277453E-01 Chg. balance for total moles = 0.2402E-07 Max. difference allowed = 0.3072E-05 Log Log Log Species(n) Molality Molality Activity Activity Gamma Gamma 1 H+ 0.90137E-07 -7.0451 0.67927E-07 -7.1680 0.75360E+00 -0.1229 2 H2O 0.99998E+00 -0.0000 0.99998E+00 -0.0000 3 Cl- 0.39298E-01 -1.4056 0.29265E-01 -1.5336 0.74469E+00 -0.1280 4 SO4-- 0.79610E-06 -6.0990 0.26513E-06 -6.5765 0.33303E+00 -0.4775 5 HCO3- 0.24931E-02 -2.6033 0.18656E-02 -2.7292 0.74829E+00 -0.1259 6 HS- 0.45355E-03 -3.3434 0.33792E-03 -3.4712 0.74507E+00 -0.1278 7 H4SiO4 0.31181E-02 -2.5061 0.31181E-02 -2.5061 0.10000E+01 0.0000 8 Al+++ 0.30887E-21 -21.5102 0.25644E-22 -22.5910 0.83026E-01 -1.0808 9 Ca++ 0.35008E-04 -4.4558 0.11434E-04 -4.9418 0.32662E+00 -0.4860 10 Mg++ 0.13385E-06 -6.8734 0.43111E-07 -7.3654 0.32209E+00 -0.4920 11 Fe++ 0.43809E-11 -11.3584 0.14159E-11 -11.8490 0.32319E+00 -0.4905 12 K+ 0.48310E-02 -2.3160 0.36193E-02 -2.4414 0.74917E+00 -0.1254 13 Na+ 0.37824E-01 -1.4222 0.28169E-01 -1.5502 0.74474E+00 -0.1280 14 Mn++ 0.81677E-09 -9.0879 0.26465E-09 -9.5773 0.32402E+00 -0.4894 15 Zn++ 0.63584E-13 -13.1967 0.20550E-13 -13.6872 0.32319E+00 -0.4905 16 Cu+ 0.13455E-13 -13.8711 0.10019E-13 -13.9992 0.74461E+00 -0.1281 17 Pb++ 0.12868E-13 -13.8905 0.42395E-14 -14.3727 0.32946E+00 -0.4822 18 Hg++ 0.31188E-36 -36.5060 0.10233E-36 -36.9900 0.32811E+00 -0.4840 19 F- 0.31247E-03 -3.5052 0.23072E-03 -3.6369 0.73840E+00 -0.1317 21 HSiO3- 0.87041E-04 -4.0603 0.64819E-04 -4.1883 0.74469E+00 -0.1280 22 Ca(HSiO3)+ 0.10360E-06 -6.9846 0.77666E-07 -7.1098 0.74965E+00 -0.1251 23 Mg(HSiO3)+ 0.35541E-09 -9.4493 0.26643E-09 -9.5744 0.74965E+00 -0.1251 24 NaHSiO3,aq 0.18968E-04 -4.7220 0.18968E-04 -4.7220 0.10000E+01 0.0000 27 HAlO2,aq 0.37654E-08 -8.4242 0.37654E-08 -8.4242 0.10000E+01 0.0000 28 AlO2- 0.10034E-05 -5.9985 0.74184E-06 -6.1297 0.73935E+00 -0.1312 29 CH4,aq 0.24487E-05 -5.6111 0.24155E-05 -5.6170 0.98641E+00 -0.0059 34 CO,aq 0.17374E-09 -9.7601 0.17374E-09 -9.7601 0.10000E+01 0.0000 35 CO2,aq 0.10219E-02 -2.9906 0.10080E-02 -2.9965 0.98641E+00 -0.0059 36 CO3-2 0.38616E-05 -5.4132 0.12783E-05 -5.8934 0.33102E+00 -0.4801 37 CaCO3,aq 0.17785E-05 -5.7499 0.17785E-05 -5.7499 0.10000E+01 0.0000 38 Ca(HCO3)+ 0.38943E-05 -5.4096 0.29194E-05 -5.5347 0.74965E+00 -0.1251 39 CaCl+ 0.42417E-05 -5.3725 0.31798E-05 -5.4976 0.74965E+00 -0.1251 40 CaCl2,aq 0.30896E-07 -7.5101 0.30896E-07 -7.5101 0.10000E+01 0.0000 41 CaF+ 0.31887E-06 -6.4964 0.23904E-06 -6.6215 0.74965E+00 -0.1251 42 CaOH+ 0.10481E-05 -5.9796 0.78574E-06 -6.1047 0.74965E+00 -0.1251 43 CaSO4,aq 0.46483E-08 -8.3327 0.46483E-08 -8.3327 0.10000E+01 0.0000 44 HCl,aq 0.94019E-09 -9.0268 0.94019E-09 -9.0268 0.10000E+01 0.0000 61 HF,aq 0.66140E-06 -6.1795 0.66140E-06 -6.1795 0.10000E+01 0.0000 62 HF2- 0.69330E-10 -10.1591 0.51630E-10 -10.2871 0.74469E+00 -0.1280 70 FeOH+ 0.16383E-10 -10.7856 0.12281E-10 -10.9107 0.74965E+00 -0.1251 76 H2,aq 0.47856E-05 -5.3201 0.47205E-05 -5.3260 0.98641E+00 -0.0059 77 Hg,aq 0.11237E-10 -10.9493 0.11084E-10 -10.9553 0.98641E+00 -0.0059 90 KCl,aq 0.10769E-04 -4.9678 0.10769E-04 -4.9678 0.10000E+01 0.0000 92 KOH,aq 0.33234E-06 -6.4784 0.33234E-06 -6.4784 0.10000E+01 0.0000 93 KSO4- 0.70023E-07 -7.1548 0.52145E-07 -7.2828 0.74469E+00 -0.1280 94 MgCO3,aq 0.10505E-08 -8.9786 0.10505E-08 -8.9786 0.10000E+01 0.0000 95 Mg(HCO3)+ 0.14511E-07 -7.8383 0.10879E-07 -7.9634 0.74965E+00 -0.1251 96 MgCl+ 0.10152E-07 -7.9935 0.76104E-08 -8.1186 0.74965E+00 -0.1251 97 MgF+ 0.37437E-08 -8.4267 0.28065E-08 -8.5518 0.74965E+00 -0.1251 98 MgOH+ 0.14498E-07 -7.8387 0.10868E-07 -7.9638 0.74965E+00 -0.1251 101 MnO,aq 0.33760E-10 -10.4716 0.33760E-10 -10.4716 0.10000E+01 0.0000 102 MnOH+ 0.38973E-09 -9.4092 0.29216E-09 -9.5344 0.74965E+00 -0.1251 107 MnCl+ 0.75698E-09 -9.1209 0.56747E-09 -9.2461 0.74965E+00 -0.1251 109 NaCl,aq 0.73561E-03 -3.1334 0.73561E-03 -3.1334 0.10000E+01 0.0000 110 NaF,aq 0.44939E-05 -5.3474 0.44939E-05 -5.3474 0.10000E+01 0.0000 111 NaOH,aq 0.19236E-05 -5.7159 0.19236E-05 -5.7159 0.10000E+01 0.0000 113 OH- 0.78069E-04 -4.1075 0.57720E-04 -4.2387 0.73935E+00 -0.1312 124 Pb(HS)2,aq 0.12642E-08 -8.8982 0.12642E-08 -8.8982 0.10000E+01 0.0000 125 Pb(HS)3- 0.11313E-10 -10.9464 0.84248E-11 -11.0744 0.74469E+00 -0.1280 126 H2S,aq 0.10910E-03 -3.9622 0.10761E-03 -3.9681 0.98641E+00 -0.0059 127 S2-2 0.90840E-10 -10.0417 0.30070E-10 -10.5219 0.33102E+00 -0.4801 135 HSO4- 0.32832E-09 -9.4837 0.24674E-09 -9.6078 0.75153E+00 -0.1241 153 ZnO,aq 0.11237E-10 -10.9494 0.11237E-10 -10.9494 0.10000E+01 0.0000 154 ZnOH+ 0.14906E-09 -9.8266 0.11174E-09 -9.9518 0.74965E+00 -0.1251 164 Cu(HS)2- 0.30060E-07 -7.5220 0.22386E-07 -7.6500 0.74469E+00 -0.1280 166 CuH4S3-b 0.26061E-09 -9.5840 0.19407E-09 -9.7120 0.74469E+00 -0.1280 179 MgSO4,aq 0.67710E-10 -10.1694 0.67710E-10 -10.1694 0.10000E+01 0.0000 180 MnCl2,aq 0.12815E-09 -9.8923 0.12815E-09 -9.8923 0.10000E+01 0.0000 181 MnCl3- 0.18876E-10 -10.7241 0.14057E-10 -10.8521 0.74469E+00 -0.1280 182 MnCO3,aq 0.14028E-08 -8.8530 0.14028E-08 -8.8530 0.10000E+01 0.0000 183 NaCO3- 0.15560E-05 -5.8080 0.11587E-05 -5.9360 0.74469E+00 -0.1280 184 NaHCO3,aq 0.38338E-04 -4.4164 0.38338E-04 -4.4164 0.10000E+01 0.0000 185 NaHS,aq 0.69445E-05 -5.1584 0.69445E-05 -5.1584 0.10000E+01 0.0000 186 NaSO4- 0.17711E-06 -6.7517 0.13189E-06 -6.8798 0.74469E+00 -0.1280 187 PbCO3,aq 0.18063E-09 -9.7432 0.18063E-09 -9.7432 0.10000E+01 0.0000 193 Zn(HS)2,aq 0.85610E-08 -8.0675 0.85610E-08 -8.0675 0.10000E+01 0.0000 194 Zn(HS)3- 0.25235E-09 -9.5980 0.18793E-09 -9.7260 0.74469E+00 -0.1280 Charge balance for all species = 0.3131E-07 Component Molality Aq.molality ppm log[A(N)/A(H+)**Z] (total) 1 H+ 0.9013714E-07 0.9318032E-03 0.9363631E+00 0.0000 2 H2O 0.1000000E+01 0.5550721E+02 0.9969568E+06 0.0000 3 Cl- 0.3929834E-01 0.4004903E-01 0.1415567E+04 5.6343 4 SO4-- 0.7960980E-06 -.2596877E-05 -.2487062E+00 7.7594 5 HCO3- 0.2493099E-02 0.3566868E-02 0.2169825E+03 4.4388 6 HS- 0.4535454E-03 0.5733143E-03 0.1890335E+02 3.6968 7 H4SiO4 0.3118130E-02 0.3224244E-02 0.3089628E+03 -2.5061 8 Al+++ 0.3088677E-21 0.1007134E-05 0.2709186E-01 -1.0871 9 Ca++ 0.3500833E-04 0.4642898E-04 0.1855157E+01 9.3941 10 Mg++ 0.1338489E-06 0.1782275E-06 0.4319970E-02 6.9705 11 Fe++ 0.4380936E-11 0.3375110E-10 0.1879201E-05 2.4869 12 K+ 0.4831004E-02 0.4842175E-02 0.1887665E+03 4.7266 13 Na+ 0.3782371E-01 0.3863172E-01 0.8854512E+03 5.6177 14 Mn++ 0.8167675E-09 0.3553496E-08 0.1946319E-03 4.7586 15 Zn++ 0.6358403E-13 0.8977345E-08 0.5850754E-03 0.6487 16 Cu+ 0.1345494E-13 0.3032401E-07 0.1920964E-02 -6.8312 17 Pb++ 0.1286780E-13 0.1467164E-08 0.3030630E-03 -0.0368 18 Hg++ 0.3118763E-36 0.1149106E-10 0.2298025E-05 -22.6541 19 F- 0.3124654E-03 0.3179435E-03 0.6022035E+01 3.5310 Component Tot moles Aq. moles Solid moles Gas moles 1 H+ 0.1822172E+00 0.7147527E-03 -.6123888E-05 0.1815086E+00 2 H2O 0.5550825E+02 0.4257758E+02 -.1076117E-01 0.1294143E+02 3 Cl- 0.3072017E-01 0.3072017E-01 0.0000000E+00 0.1408510E-09 4 SO4-- -.4257700E-02 -.1991971E-05 0.9778412E-09 -.4255709E-02 5 HCO3- 0.1832100E+00 0.2736016E-02 0.0000000E+00 0.1804740E+00 6 HS- 0.9985820E-02 0.4397688E-03 0.4870147E-07 0.9546002E-02 7 H4SiO4 0.7855346E-02 0.2473201E-02 0.5382145E-02 0.0000000E+00 8 Al+++ 0.2253680E-05 0.7725364E-06 0.1481144E-05 0.0000000E+00 9 Ca++ 0.3561400E-04 0.3561400E-04 0.0000000E+00 0.0000000E+00 10 Mg++ 0.2355503E-06 0.1367119E-06 0.9883839E-07 0.0000000E+00 11 Fe++ 0.8017372E-08 0.2588926E-10 0.7991483E-08 0.0000000E+00 12 K+ 0.3715700E-02 0.3714258E-02 0.1441535E-05 0.0000000E+00 13 Na+ 0.2963300E-01 0.2963300E-01 0.0000000E+00 0.0000000E+00 14 Mn++ 0.2740424E-08 0.2725759E-08 0.1466491E-10 0.0000000E+00 15 Zn++ 0.1530000E-07 0.6886198E-08 0.8413802E-08 0.0000000E+00 16 Cu+ 0.6237410E-07 0.2326045E-07 0.3911365E-07 0.0000000E+00 17 Pb++ 0.1110000E-07 0.1125409E-08 0.9974591E-08 0.0000000E+00 18 Hg++ 0.4000000E-08 0.8814379E-11 0.0000000E+00 0.3991186E-08 19 F- 0.2439100E-03 0.2438830E-03 0.0000000E+00 0.2698734E-07 Chg. balance for solid moles: -.1563E-16 Mass of aqueous solution: 0.769389E+03 g Temperature = 178.00 C Pressure = 9.53 bar Mixer frac. = 0.0000000 Log Log Vol Gas or mineral Moles Moles Grams Grams Wt.% (cm3) H2O,gas 13.11 1.118 236.1 2.373 96.70 0.4808E+05 CO2,gas 0.1775 -0.751 7.811 0.893 3.199 717.4 CH4,gas 0.2986E-02 -2.525 0.4789E-01 -1.320 0.1961E-01 12.49 H2,gas 0.5079E-02 -2.294 0.1026E-01 -1.989 0.4202E-02 20.07 H2S,gas 0.5290E-02 -2.277 0.1803 -0.744 0.7384E-01 20.37 CO,gas 0.1933E-06 -6.714 0.5413E-05 -5.267 0.2217E-05 0.7605E-03 SO2,gas 0.1065E-13 -13.973 0.6821E-12 -12.166 0.2793E-12 0.4190E-10 HF,gas 0.2699E-07 -7.569 0.5397E-06 -6.268 0.2210E-06 0.1062E-03 HCl,gas 0.1409E-09 -9.851 0.5135E-08 -8.289 0.2103E-08 0.5542E-06 Hg,gas 0.3991E-08 -8.399 0.8006E-06 -6.097 0.3279E-06 0.1571E-04 clinochlore 0.1977E-07 -7.704 0.1099E-04 -4.959 0.3396E-02 0.4179E-05 daphnite 0.3375E-10 -10.472 0.2408E-07 -7.618 0.7444E-05 0.7297E-08 chlorite-Mn 0.2933E-11 -11.533 0.2079E-08 -8.682 0.6428E-06 0.6627E-09 microcline 0.1442E-05 -5.841 0.4012E-03 -3.397 0.1240 0.1567E-03 quartz 0.5378E-02 -2.269 0.3231 -0.491 99.87 0.1220 bornite 0.7823E-08 -8.107 0.3925E-05 -5.406 0.1213E-02 0.7723E-06 galena 0.9975E-08 -8.001 0.2386E-05 -5.622 0.7377E-03 0.3141E-06 sphalerite 0.8414E-08 -8.075 0.8198E-06 -6.086 0.2534E-03 0.2005E-06 Partial press. Fugacity coef Log fugacity Gas or Mineral Mole fraction or activity Activity coef Log activity H2O,gas 0.9857E+00 0.9396E+01 0.9364 0.944 CO2,gas 0.1334E-01 0.1272E+00 1.0191 -0.887 CH4,gas 0.2245E-03 0.2140E-02 1.0598 -2.644 H2,gas 0.3818E-03 0.3640E-02 1.0042 -2.437 H2S,gas 0.3977E-03 0.3791E-02 0.9785 -2.431 CO,gas 0.1453E-07 0.1385E-06 1.0000 -6.859 SO2,gas 0.8004E-15 0.7630E-14 1.0000 -14.117 HF,gas 0.2029E-08 0.1934E-07 1.0000 -7.714 HCl,gas 0.1059E-10 0.1009E-09 1.0000 -9.996 Hg,gas 0.3001E-09 0.2860E-08 1.0000 -8.544 clinochlore 0.9981E+00 0.9981E+00 1.0000 -0.001 daphnite 0.1704E-02 0.1704E-02 1.0000 -2.768 chlorite-Mn 0.1481E-03 0.1481E-03 1.0000 -3.829 microcline 0.1000E+01 0.1000E+01 1.0000 0.000 quartz 0.1000E+01 0.1000E+01 1.0000 0.000 bornite 0.1000E+01 0.1000E+01 1.0000 0.000 galena 0.1000E+01 0.1000E+01 1.0000 0.000 sphalerite 0.1000E+01 0.1000E+01 1.0000 0.000 Current weight percent of gas: 24.083124 % Solid products produced: Mass = 0.323515 g Volume = 0.122177 cm3 WARNING: mineral volume may be in error because some mineral densities were not supplied in SOLTHERM. See mineral list in file Skip_Species.txt. NON-Ideal mixing with H2O, CO2, CH4 Gases ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ The following gases and minerals are presently in matrix or were just added Gas or Mineral Log K Log Q Log(Q/K) Log(Q/K)/S Affinity Log Fugacity 1 H2O,gas 0.03 0.03 -0.00 -0.000 0.38212E-09 2 CO2,gas -8.03 -8.03 0.00 0.000 -0.15035E-09 3 CH4,gas 4.00 4.00 0.00 0.000 -0.35387E-09 4 H2,gas 5.98 5.98 0.00 0.000 -0.22003E-10 5 H2S,gas -7.23 -7.23 -0.00 -0.000 0.12101E-09 6 CO,gas 0.51 0.51 0.00 0.000 -0.16044E-11 7 SO2,gas -3.25 -3.25 -0.00 -0.000 0.10084E-10 8 HF,gas -2.11 -2.11 0.00 0.000 -0.27503E-11 9 HCl,gas 2.27 2.27 0.00 0.000 0.00000E+00 10 Hg,gas -10.56 -10.56 -0.00 -0.000 0.14668E-10 43 clinochlore 25.16 25.16 0.00 0.000 -0.36671E-10 44 daphnite 16.58 16.58 0.00 0.000 -0.44005E-10 45 chlorite-Mn 33.25 33.25 0.00 0.000 -0.44005E-10 115 microcline -3.88 -3.88 -0.00 -0.000 0.18335E-11 146 quartz -2.51 -2.51 0.00 0.000 0.00000E+00 198 bornite -75.51 -75.51 0.00 0.000 -0.29337E-10 249 galena -10.68 -10.68 0.00 0.000 -0.36671E-11 260 sphalerite -9.99 -9.99 -0.00 -0.000 0.73342E-11 The following gases and minerals are presently EXCLUDED from matrix (Gases and minerals with log(Q/K) less than -5 are not listed below) Gas or Mineral Log K Log Q Log(Q/K) Log(Q/K)/S Affinity Log Fugacity 11 acmite 6.05 1.81 -4.24 -0.441 0.87614E+04 15 albite-high -1.63 -2.99 -1.36 -0.104 0.28031E+04 16 albite -2.37 -2.99 -0.62 -0.048 0.12796E+04 20 analcite 0.85 -0.48 -1.33 -0.148 0.27466E+04 21 andalusite -0.73 -4.68 -3.95 -0.395 0.81493E+04 23 grossular 21.73 18.49 -3.24 -0.162 0.66801E+04 24 anhydrite -6.80 -11.52 -4.72 -2.359 0.97401E+04 25 ankerite -4.08 -7.91 -3.83 -0.638 0.79042E+04 27 phlogopite 18.59 17.03 -1.55 -0.086 0.32085E+04 29 anorthite 5.09 2.21 -2.89 -0.222 0.59597E+04 32 aragonite -0.10 -0.50 -0.40 -0.133 0.82175E+03 33 brucite 9.98 6.97 -3.01 -0.602 0.62158E+04 34 calcite -0.26 -0.50 -0.24 -0.081 0.50201E+03 35 carnegieite-low 5.53 2.02 -3.50 -0.500 0.72320E+04 36 carnegieite-high 6.27 2.02 -4.25 -0.607 0.87670E+04 37 carpholite-Mg 2.32 -0.22 -2.53 -0.169 0.52292E+04 39 celadonite 2.41 0.59 -1.82 -0.107 0.37644E+04 40 celadonite-Fe 1.07 -3.90 -4.97 -0.292 0.10251E+05 41 chrysotile 18.21 15.90 -2.31 -0.192 0.47651E+04 46 chlorite-Al-free 35.99 31.80 -4.19 -0.174 0.86453E+04 47 chloritoid-Mg 5.77 2.29 -3.48 -0.232 0.71787E+04 48 chloritoid-Fe 2.49 -2.19 -4.68 -0.312 0.96621E+04 49 chloritoid-Mn 4.70 0.08 -4.62 -0.308 0.95405E+04 51 coesite -1.98 -2.51 -0.52 -0.174 0.10777E+04 56 corundum 2.10 -2.17 -4.28 -0.389 0.88283E+04 58 cristobalite -2.21 -2.51 -0.29 -0.098 0.60878E+03 61 cymrite-K -0.31 -3.88 -3.56 -0.297 0.73594E+04 63 diaspore 0.26 -1.09 -1.35 -0.225 0.27885E+04 64 diamond -2.27 -4.76 -2.49 -0.711 0.51389E+04 65 diopside 12.30 11.35 -0.95 -0.095 0.19581E+04 66 hedenbergite 10.60 6.87 -3.74 -0.374 0.77113E+04 67 dolomite,ordered -1.80 -3.43 -1.63 -0.271 0.33566E+04 69 enstatite 12.63 8.93 -3.70 -0.370 0.76355E+04 70 clinoenstatite-HiP 13.54 8.93 -4.61 -0.461 0.95123E+04 71 clinoenstatite 12.55 8.93 -3.62 -0.362 0.74736E+04 72 protoenstatite 13.05 8.93 -4.12 -0.412 0.85038E+04 73 epidote 14.30 10.30 -4.00 -0.194 0.82631E+04 74 clinozoisite 11.20 8.01 -3.19 -0.145 0.65799E+04 78 forsterite 15.73 11.43 -4.30 -0.614 0.88740E+04 81 gibbsite 1.53 -1.09 -2.62 -0.375 0.54130E+04 82 glaucophane 13.61 9.92 -3.69 -0.100 0.76190E+04 84 goethite 4.65 1.20 -3.45 -0.745 0.71169E+04 85 graphite -2.68 -4.76 -2.08 -0.596 0.43035E+04 88 halite 1.34 -3.08 -4.42 -2.210 0.91253E+04 90 heulandite -9.50 -10.32 -0.82 -0.037 0.16983E+04 94 jadeite 1.77 -0.48 -2.25 -0.225 0.46383E+04 96 kalsilite 4.47 1.13 -3.34 -0.477 0.68922E+04 97 kaolinite -5.10 -7.19 -2.09 -0.190 0.43101E+04 98 kyanite -0.75 -4.68 -3.93 -0.393 0.81170E+04 100 laumontite -1.87 -2.80 -0.94 -0.062 0.19340E+04 101 lawsonite 3.78 2.21 -1.57 -0.105 0.32499E+04 102 leucite 1.40 -1.37 -2.77 -0.277 0.57140E+04 104 lizardite 17.78 15.90 -1.88 -0.157 0.38907E+04 105 magnesite -0.77 -2.93 -2.15 -0.718 0.44442E+04 108 minnesotaite-Mg 15.04 10.89 -4.15 -0.244 0.85763E+04 112 margarite 4.71 0.03 -4.68 -0.187 0.96579E+04 119 muscovite -4.03 -6.05 -2.02 -0.119 0.41741E+04 120 paragonite -2.81 -5.16 -2.35 -0.138 0.48530E+04 121 nepheline 4.94 2.02 -2.91 -0.416 0.60145E+04 133 phlogopite-Na 20.50 17.92 -2.58 -0.143 0.53255E+04 135 prehnite 10.95 9.10 -1.86 -0.109 0.38361E+04 136 prehnite-Fe 15.01 11.39 -3.63 -0.218 0.74875E+04 138 pumpellyite-Mg 28.35 24.07 -4.27 -0.095 0.88189E+04 141 pyrite -19.75 -21.36 -1.61 -0.378 0.33156E+04 142 pyrrhotite -5.01 -8.15 -3.14 -1.048 0.64913E+04 143 pyrrhotiteFe0.875 -6.39 -8.78 -2.39 -0.878 0.49283E+04 144 pyroxmangite 5.61 2.25 -3.35 -0.671 0.69257E+04 145 pyrophyllite -9.54 -12.20 -2.66 -0.166 0.54847E+04 151 rhodochrosite -1.83 -5.14 -3.31 -1.103 0.68314E+04 152 rhodonite 5.63 2.25 -3.38 -0.676 0.69823E+04 153 sanidine -2.88 -3.88 -1.00 -0.077 0.20690E+04 155 siderite -3.52 -7.41 -3.89 -1.296 0.80254E+04 156 sillimanite -0.54 -4.68 -4.14 -0.414 0.85452E+04 163 stilbite -9.52 -10.32 -0.80 -0.038 0.16473E+04 165 stilpnomelane-Mg 15.70 14.99 -0.71 -0.021 0.14669E+04 166 stishovite 2.38 -2.51 -4.88 -1.627 0.10077E+05 169 sulfur -8.68 -13.21 -4.52 -1.392 0.93368E+04 171 talc 11.69 10.89 -0.80 -0.047 0.16548E+04 178 topaz-H -0.38 -4.68 -4.30 -0.391 0.88849E+04 179 tridymite -2.25 -2.51 -0.26 -0.086 0.53399E+03 180 tremolite 35.40 33.59 -1.81 -0.049 0.37403E+04 182 troilite-low -5.08 -8.15 -3.07 -1.023 0.63352E+04 188 wairakite -1.66 -2.80 -1.15 -0.067 0.23684E+04 189 walstromite 9.20 6.89 -2.31 -0.462 0.47713E+04 190 wollastonite 8.34 6.89 -1.45 -0.290 0.29983E+04 191 pseudo-wollastonite 8.74 6.89 -1.85 -0.371 0.38276E+04 192 zoisite 11.24 8.01 -3.23 -0.147 0.66682E+04 193 beidellite-Ca -6.67 -10.18 -3.51 -0.217 0.72419E+04 194 beidellite-H -7.15 -11.73 -4.59 -0.293 0.94652E+04 195 beidellite-K -6.25 -10.17 -3.92 -0.240 0.80880E+04 196 beidellite-Mg -6.87 -10.58 -3.71 -0.229 0.76506E+04 197 beidellite-Na -6.16 -9.88 -3.72 -0.228 0.76721E+04 200 chalcedony -2.35 -2.51 -0.15 -0.052 0.31995E+03 201 chalcocite -23.11 -24.30 -1.19 -0.298 0.24637E+04 202 covellite -16.93 -18.75 -1.82 -0.693 0.37570E+04 204 montmorillonite-Ca -5.90 -7.99 -2.09 -0.129 0.43164E+04 205 montmorillonite-K -5.58 -7.98 -2.40 -0.147 0.49640E+04 206 montmorillonite-Mg -6.14 -8.39 -2.25 -0.139 0.46540E+04 207 montmorillonite-Na -5.43 -7.69 -2.25 -0.138 0.46545E+04 229 tobermorite 8.80 5.32 -3.48 -0.949 0.71775E+04 235 alabandite -2.06 -5.88 -3.82 -1.274 0.78928E+04 240 boehmite 1.39 -1.09 -2.47 -0.412 0.51045E+04 242 chalcopyrite -25.60 -26.91 -1.30 -0.243 0.26934E+04 245 copper,native -1.83 -5.55 -3.72 -1.294 0.76807E+04 246 dolomite,disordered -1.33 -3.43 -2.10 -0.350 0.43364E+04 247 ferrous-oxide 7.21 2.49 -4.73 -1.182 0.97579E+04 248 fluorite -10.53 -12.22 -1.69 -0.562 0.34828E+04 257 silica-amorphous -1.84 -2.51 -0.67 -0.222 0.13742E+04 261 wurtzite -8.48 -9.99 -1.51 -0.505 0.31269E+04 263 an20ab80 -1.09 -1.95 -0.86 -0.066 0.17660E+04 264 an25ab75 -0.75 -1.69 -0.94 -0.072 0.19454E+04 265 an30ab70 -0.39 -1.43 -1.03 -0.080 0.21351E+04 266 tr.625ac.25prg.125 31.86 28.04 -3.83 -0.103 0.79005E+04 271 FeS-amorphous -3.68 -8.15 -4.47 -1.491 0.92338E+04 Calculations done for 178.0000 Deg. C; 9.5324 bar Enthalpies: Pure water 3.2612 kcal/mole H2O,gas 11.9998 kcal/mole CO2,gas 1.9307 kcal/mole CH4,gas 1.8752 kcal/mole Current solution 138.8549 Gas 157.6757 kcal Total current enthalpy 296.5306 kcal Starting enthalpy 296.5306 kcal Temperature changed by -2.000 degrees to 176.000 degrees C. Solids and gases carried ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ Test file for CHIM-XPT. Boil Broadlands Water Water similar to Broadlands Well No. 2 CHIMRUN demo-2a ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ Number of loops used = 10 Loop limit = 200 Temperature = 176.00 C Pressure = 9.09 bar Mixer fraction = 0.0000000 Total current enthalpy = 296.5306 KCAL Water: Moles liquid = 0.4238E+02 kg liquid = 0.7636E+00 Moles total = 0.5551E+02 kg total = 0.1000E+01 Activity = 1.0000 Stoichiometric ionic strength = .4424976E-01 Osmotic coef. = 0.9217 True ionic strength = .4298837E-01 Chg. balance for total moles = 0.2402E-07 Max. difference allowed = 0.3072E-05 Log Log Log Species(n) Molality Molality Activity Activity Gamma Gamma 1 H+ 0.87460E-07 -7.0582 0.65992E-07 -7.1805 0.75454E+00 -0.1223 2 H2O 0.99998E+00 -0.0000 0.99998E+00 -0.0000 3 Cl- 0.39494E-01 -1.4035 0.29449E-01 -1.5309 0.74565E+00 -0.1275 4 SO4-- 0.85169E-06 -6.0697 0.28501E-06 -6.5451 0.33464E+00 -0.4754 5 HCO3- 0.25113E-02 -2.6001 0.18815E-02 -2.7255 0.74922E+00 -0.1254 6 HS- 0.45005E-03 -3.3467 0.33575E-03 -3.4740 0.74603E+00 -0.1272 7 H4SiO4 0.30431E-02 -2.5167 0.30431E-02 -2.5167 0.10000E+01 0.0000 8 Al+++ 0.31223E-21 -21.5055 0.26213E-22 -22.5815 0.83953E-01 -1.0760 9 Ca++ 0.35461E-04 -4.4502 0.11640E-04 -4.9341 0.32824E+00 -0.4838 10 Mg++ 0.14015E-06 -6.8534 0.45370E-07 -7.3432 0.32372E+00 -0.4898 11 Fe++ 0.34672E-11 -11.4600 0.11262E-11 -11.9484 0.32482E+00 -0.4884 12 K+ 0.48535E-02 -2.3139 0.36406E-02 -2.4388 0.75009E+00 -0.1249 13 Na+ 0.38014E-01 -1.4201 0.28346E-01 -1.5475 0.74569E+00 -0.1274 14 Mn++ 0.82403E-09 -9.0841 0.26834E-09 -9.5713 0.32565E+00 -0.4873 15 Zn++ 0.61439E-13 -13.2116 0.19957E-13 -13.6999 0.32482E+00 -0.4884 16 Cu+ 0.12280E-13 -13.9108 0.91556E-14 -14.0383 0.74556E+00 -0.1275 17 Pb++ 0.11795E-13 -13.9283 0.39052E-14 -14.4084 0.33108E+00 -0.4801 18 Hg++ 0.25666E-36 -36.5906 0.84626E-37 -37.0725 0.32973E+00 -0.4818 19 F- 0.31406E-03 -3.5030 0.23222E-03 -3.6341 0.73943E+00 -0.1311 21 HSiO3- 0.87494E-04 -4.0580 0.65240E-04 -4.1855 0.74565E+00 -0.1275 22 Ca(HSiO3)+ 0.10135E-06 -6.9942 0.76067E-07 -7.1188 0.75057E+00 -0.1246 23 Mg(HSiO3)+ 0.36220E-09 -9.4410 0.27186E-09 -9.5657 0.75057E+00 -0.1246 24 NaHSiO3,aq 0.19252E-04 -4.7155 0.19252E-04 -4.7155 0.10000E+01 0.0000 27 HAlO2,aq 0.35961E-08 -8.4442 0.35961E-08 -8.4442 0.10000E+01 0.0000 28 AlO2- 0.94724E-06 -6.0235 0.70130E-06 -6.1541 0.74036E+00 -0.1306 29 CH4,aq 0.22727E-05 -5.6435 0.22417E-05 -5.6494 0.98636E+00 -0.0060 34 CO,aq 0.14832E-09 -9.8288 0.14832E-09 -9.8288 0.10000E+01 0.0000 35 CO2,aq 0.95966E-03 -3.0179 0.94657E-03 -3.0238 0.98636E+00 -0.0060 36 CO3-2 0.40899E-05 -5.3883 0.13605E-05 -5.8663 0.33264E+00 -0.4780 37 CaCO3,aq 0.18057E-05 -5.7433 0.18057E-05 -5.7433 0.10000E+01 0.0000 38 Ca(HCO3)+ 0.38000E-05 -5.4202 0.28521E-05 -5.5448 0.75057E+00 -0.1246 39 CaCl+ 0.41261E-05 -5.3845 0.30969E-05 -5.5091 0.75057E+00 -0.1246 40 CaCl2,aq 0.29762E-07 -7.5263 0.29762E-07 -7.5263 0.10000E+01 0.0000 41 CaF+ 0.30961E-06 -6.5092 0.23239E-06 -6.6338 0.75057E+00 -0.1246 42 CaOH+ 0.10035E-05 -5.9985 0.75318E-06 -6.1231 0.75057E+00 -0.1246 43 CaSO4,aq 0.48450E-08 -8.3147 0.48450E-08 -8.3147 0.10000E+01 0.0000 44 HCl,aq 0.88738E-09 -9.0519 0.88738E-09 -9.0519 0.10000E+01 0.0000 61 HF,aq 0.61635E-06 -6.2102 0.61635E-06 -6.2102 0.10000E+01 0.0000 62 HF2- 0.65111E-10 -10.1863 0.48550E-10 -10.3138 0.74565E+00 -0.1275 70 FeOH+ 0.12576E-10 -10.9005 0.94392E-11 -11.0251 0.75057E+00 -0.1246 76 H2,aq 0.43802E-05 -5.3585 0.43205E-05 -5.3645 0.98636E+00 -0.0060 77 Hg,aq 0.10490E-10 -10.9792 0.10346E-10 -10.9852 0.98636E+00 -0.0060 90 KCl,aq 0.10439E-04 -4.9814 0.10439E-04 -4.9814 0.10000E+01 0.0000 92 KOH,aq 0.32665E-06 -6.4859 0.32665E-06 -6.4859 0.10000E+01 0.0000 93 KSO4- 0.72864E-07 -7.1375 0.54331E-07 -7.2649 0.74565E+00 -0.1275 94 MgCO3,aq 0.11146E-08 -8.9529 0.11146E-08 -8.9529 0.10000E+01 0.0000 95 Mg(HCO3)+ 0.14664E-07 -7.8338 0.11006E-07 -7.9584 0.75057E+00 -0.1246 96 MgCl+ 0.10294E-07 -7.9874 0.77261E-08 -8.1120 0.75057E+00 -0.1246 97 MgF+ 0.37735E-08 -8.4233 0.28323E-08 -8.5479 0.75057E+00 -0.1246 98 MgOH+ 0.14449E-07 -7.8402 0.10845E-07 -7.9648 0.75057E+00 -0.1246 101 MnO,aq 0.31704E-10 -10.4989 0.31704E-10 -10.4989 0.10000E+01 0.0000 102 MnOH+ 0.37920E-09 -9.4211 0.28462E-09 -9.5457 0.75057E+00 -0.1246 107 MnCl+ 0.72221E-09 -9.1413 0.54206E-09 -9.2659 0.75057E+00 -0.1246 109 NaCl,aq 0.72396E-03 -3.1403 0.72396E-03 -3.1403 0.10000E+01 0.0000 110 NaF,aq 0.44154E-05 -5.3550 0.44154E-05 -5.3550 0.10000E+01 0.0000 111 NaOH,aq 0.19020E-05 -5.7208 0.19020E-05 -5.7208 0.10000E+01 0.0000 113 OH- 0.77794E-04 -4.1091 0.57596E-04 -4.2396 0.74036E+00 -0.1306 124 Pb(HS)2,aq 0.11494E-08 -8.9395 0.11494E-08 -8.9395 0.10000E+01 0.0000 125 Pb(HS)3- 0.10067E-10 -10.9971 0.75067E-11 -11.1245 0.74565E+00 -0.1275 126 H2S,aq 0.10290E-03 -3.9876 0.10150E-03 -3.9936 0.98636E+00 -0.0060 127 S2-2 0.88868E-10 -10.0513 0.29561E-10 -10.5293 0.33264E+00 -0.4780 135 HSO4- 0.31974E-09 -9.4952 0.24058E-09 -9.6187 0.75244E+00 -0.1235 153 ZnO,aq 0.10230E-10 -10.9901 0.10230E-10 -10.9901 0.10000E+01 0.0000 154 ZnOH+ 0.13628E-09 -9.8656 0.10229E-09 -9.9902 0.75057E+00 -0.1246 164 Cu(HS)2- 0.29845E-07 -7.5251 0.22254E-07 -7.6526 0.74565E+00 -0.1275 166 CuH4S3-b 0.27764E-09 -9.5565 0.20702E-09 -9.6840 0.74565E+00 -0.1275 179 MgSO4,aq 0.73139E-10 -10.1359 0.73139E-10 -10.1359 0.10000E+01 0.0000 180 MnCl2,aq 0.11818E-09 -9.9274 0.11818E-09 -9.9274 0.10000E+01 0.0000 181 MnCl3- 0.17228E-10 -10.7638 0.12846E-10 -10.8912 0.74565E+00 -0.1275 182 MnCO3,aq 0.14725E-08 -8.8319 0.14725E-08 -8.8319 0.10000E+01 0.0000 183 NaCO3- 0.16224E-05 -5.7898 0.12097E-05 -5.9173 0.74565E+00 -0.1275 184 NaHCO3,aq 0.37479E-04 -4.4262 0.37479E-04 -4.4262 0.10000E+01 0.0000 185 NaHS,aq 0.66880E-05 -5.1747 0.66880E-05 -5.1747 0.10000E+01 0.0000 186 NaSO4- 0.18713E-06 -6.7279 0.13953E-06 -6.8553 0.74565E+00 -0.1275 187 PbCO3,aq 0.17058E-09 -9.7681 0.17058E-09 -9.7681 0.10000E+01 0.0000 193 Zn(HS)2,aq 0.77490E-08 -8.1108 0.77490E-08 -8.1108 0.10000E+01 0.0000 194 Zn(HS)3- 0.23104E-09 -9.6363 0.17228E-09 -9.7638 0.74565E+00 -0.1275 Charge balance for all species = 0.3146E-07 Component Molality Aq.molality ppm log[A(N)/A(H+)**Z] (total) 1 H+ 0.8746024E-07 0.8629585E-03 0.8671795E+00 0.0000 2 H2O 0.1000000E+01 0.5550727E+02 0.9969555E+06 0.0000 3 Cl- 0.3949437E-01 0.4023298E-01 0.1422065E+04 5.6496 4 SO4-- 0.8516900E-06 -.2250862E-05 -.2155674E+00 7.8159 5 HCO3- 0.2511285E-02 0.3522031E-02 0.2142544E+03 4.4550 6 HS- 0.4500550E-03 0.5630890E-03 0.1856615E+02 3.7065 7 H4SiO4 0.3043065E-02 0.3149913E-02 0.3018394E+03 -2.5167 8 Al+++ 0.3122322E-21 0.9508344E-06 0.2557734E-01 -1.0400 9 Ca++ 0.3546138E-04 0.4664223E-04 0.1863673E+01 9.4270 10 Mg++ 0.1401517E-06 0.1848812E-06 0.4481237E-02 7.0178 11 Fe++ 0.3467161E-11 0.2564812E-10 0.1428038E-05 2.4126 12 K+ 0.4853515E-02 0.4864353E-02 0.1896306E+03 4.7417 13 Na+ 0.3801365E-01 0.3880916E-01 0.8895161E+03 5.6330 14 Mn++ 0.8240339E-09 0.3571312E-08 0.1956073E-03 4.7897 15 Zn++ 0.6143872E-13 0.8129849E-08 0.5298408E-03 0.6611 16 Cu+ 0.1228022E-13 0.3012570E-07 0.1908397E-02 -6.8578 17 Pb++ 0.1179548E-13 0.1340059E-08 0.2768071E-03 -0.0473 18 Hg++ 0.2566557E-36 0.1074035E-10 0.2147890E-05 -22.7115 19 F- 0.3140606E-03 0.3194059E-03 0.6049720E+01 3.5464 Component Tot moles Aq. moles Solid moles Gas moles 1 H+ 0.1822172E+00 0.6589179E-03 -.6303696E-05 0.1815646E+00 2 H2O 0.5550825E+02 0.4238296E+02 -.1089721E-01 0.1313619E+02 3 Cl- 0.3072017E-01 0.3072017E-01 0.0000000E+00 0.1302188E-09 4 SO4-- -.4257700E-02 -.1718661E-05 0.9842853E-09 -.4255982E-02 5 HCO3- 0.1832100E+00 0.2689271E-02 0.0000000E+00 0.1805207E+00 6 HS- 0.9985820E-02 0.4299505E-03 0.4968203E-07 0.9555820E-02 7 H4SiO4 0.7855346E-02 0.2405138E-02 0.5450208E-02 0.0000000E+00 8 Al+++ 0.2253680E-05 0.7260161E-06 0.1527664E-05 0.0000000E+00 9 Ca++ 0.3561400E-04 0.3561400E-04 0.0000000E+00 0.0000000E+00 10 Mg++ 0.2355503E-06 0.1411673E-06 0.9438294E-07 0.0000000E+00 11 Fe++ 0.8017372E-08 0.1958380E-10 0.7997788E-08 0.0000000E+00 12 K+ 0.3715700E-02 0.3714210E-02 0.1489856E-05 0.0000000E+00 13 Na+ 0.2963300E-01 0.2963300E-01 0.0000000E+00 0.0000000E+00 14 Mn++ 0.2740424E-08 0.2726900E-08 0.1352386E-10 0.0000000E+00 15 Zn++ 0.1530000E-07 0.6207603E-08 0.9092397E-08 0.0000000E+00 16 Cu+ 0.6237410E-07 0.2300269E-07 0.3937141E-07 0.0000000E+00 17 Pb++ 0.1110000E-07 0.1023211E-08 0.1007679E-07 0.0000000E+00 18 Hg++ 0.4000000E-08 0.8200869E-11 0.0000000E+00 0.3991799E-08 19 F- 0.2439100E-03 0.2438846E-03 0.0000000E+00 0.2539325E-07 Chg. balance for solid moles: 0.6308E-17 Mass of aqueous solution: 0.765873E+03 g Temperature = 176.00 C Pressure = 9.09 bar Mixer frac. = 0.0000000 Log Log Vol Gas or mineral Moles Moles Grams Grams Wt.% (cm3) H2O,gas 13.31 1.124 239.6 2.380 96.75 0.5104E+05 CO2,gas 0.1775 -0.751 7.813 0.893 3.154 748.3 CH4,gas 0.3000E-02 -2.523 0.4812E-01 -1.318 0.1943E-01 13.07 H2,gas 0.5023E-02 -2.299 0.1015E-01 -1.994 0.4096E-02 20.71 H2S,gas 0.5300E-02 -2.276 0.1806 -0.743 0.7292E-01 21.31 CO,gas 0.1792E-06 -6.747 0.5018E-05 -5.299 0.2026E-05 0.7357E-03 SO2,gas 0.9445E-14 -14.025 0.6051E-12 -12.218 0.2443E-12 0.3879E-10 HF,gas 0.2539E-07 -7.595 0.5079E-06 -6.294 0.2050E-06 0.1043E-03 HCl,gas 0.1302E-09 -9.885 0.4748E-08 -8.324 0.1917E-08 0.5348E-06 Hg,gas 0.3992E-08 -8.399 0.8007E-06 -6.097 0.3233E-06 0.1639E-04 clinochlore 0.1888E-07 -7.724 0.1049E-04 -4.979 0.3203E-02 0.3991E-05 daphnite 0.2470E-10 -10.607 0.1762E-07 -7.754 0.5380E-05 0.5341E-08 chlorite-Mn 0.2705E-11 -11.568 0.1918E-08 -8.717 0.5853E-06 0.6111E-09 microcline 0.1490E-05 -5.827 0.4147E-03 -3.382 0.1266 0.1620E-03 quartz 0.5446E-02 -2.264 0.3272 -0.485 99.87 0.1236 bornite 0.7874E-08 -8.104 0.3951E-05 -5.403 0.1206E-02 0.7774E-06 galena 0.1008E-07 -7.997 0.2411E-05 -5.618 0.7359E-03 0.3173E-06 sphalerite 0.9092E-08 -8.041 0.8859E-06 -6.053 0.2704E-03 0.2166E-06 Partial press. Fugacity coef Log fugacity Gas or Mineral Mole fraction or activity Activity coef Log activity H2O,gas 0.9859E+00 0.8965E+01 0.9382 0.925 CO2,gas 0.1315E-01 0.1196E+00 1.0190 -0.914 CH4,gas 0.2223E-03 0.2021E-02 1.0580 -2.670 H2,gas 0.3721E-03 0.3384E-02 1.0040 -2.469 H2S,gas 0.3927E-03 0.3571E-02 0.9792 -2.456 CO,gas 0.1327E-07 0.1207E-06 1.0000 -6.918 SO2,gas 0.6998E-15 0.6364E-14 1.0000 -14.196 HF,gas 0.1881E-08 0.1711E-07 1.0000 -7.767 HCl,gas 0.9648E-11 0.8774E-10 1.0000 -10.057 Hg,gas 0.2958E-09 0.2689E-08 1.0000 -8.570 clinochlore 0.9986E+00 0.9986E+00 1.0000 -0.001 daphnite 0.1307E-02 0.1307E-02 1.0000 -2.884 chlorite-Mn 0.1431E-03 0.1431E-03 1.0000 -3.844 microcline 0.1000E+01 0.1000E+01 1.0000 0.000 quartz 0.1000E+01 0.1000E+01 1.0000 0.000 bornite 0.1000E+01 0.1000E+01 1.0000 0.000 galena 0.1000E+01 0.1000E+01 1.0000 0.000 sphalerite 0.1000E+01 0.1000E+01 1.0000 0.000 Current weight percent of gas: 24.429420 % Solid products produced: Mass = 0.327609 g Volume = 0.123723 cm3 WARNING: mineral volume may be in error because some mineral densities were not supplied in SOLTHERM. See mineral list in file Skip_Species.txt. NON-Ideal mixing with H2O, CO2, CH4 Gases ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ The following gases and minerals are presently in matrix or were just added Gas or Mineral Log K Log Q Log(Q/K) Log(Q/K)/S Affinity Log Fugacity 1 H2O,gas 0.03 0.03 -0.00 -0.000 0.28004E-09 2 CO2,gas -8.03 -8.03 0.00 0.000 -0.11318E-09 3 CH4,gas 3.97 3.97 0.00 0.000 -0.25921E-09 4 H2,gas 5.99 5.99 0.00 0.000 -0.18254E-10 5 H2S,gas -7.24 -7.24 -0.00 -0.000 0.85795E-10 6 CO,gas 0.53 0.53 -0.00 -0.000 0.22818E-12 7 SO2,gas -3.19 -3.19 -0.00 -0.000 0.63890E-11 8 HF,gas -2.09 -2.09 0.00 0.000 -0.45635E-11 9 HCl,gas 2.30 2.30 0.00 0.000 0.00000E+00 10 Hg,gas -10.62 -10.62 -0.00 -0.000 0.73017E-11 43 clinochlore 25.46 25.46 0.00 0.000 0.00000E+00 44 daphnite 16.85 16.85 -0.00 -0.000 0.29207E-10 45 chlorite-Mn 33.54 33.54 -0.00 -0.000 0.29207E-10 115 microcline -3.85 -3.85 -0.00 -0.000 0.10040E-10 146 quartz -2.52 -2.52 0.00 0.000 0.00000E+00 198 bornite -75.78 -75.78 -0.00 -0.000 0.58413E-10 249 galena -10.70 -10.70 0.00 0.000 0.00000E+00 260 sphalerite -9.99 -9.99 0.00 0.000 0.00000E+00 The following gases and minerals are presently EXCLUDED from matrix (Gases and minerals with log(Q/K) less than -5 are not listed below) Gas or Mineral Log K Log Q Log(Q/K) Log(Q/K)/S Affinity Log Fugacity 11 acmite 6.09 1.73 -4.36 -0.453 0.89538E+04 15 albite-high -1.58 -2.96 -1.38 -0.106 0.28300E+04 16 albite -2.33 -2.96 -0.63 -0.049 0.12981E+04 20 analcite 0.90 -0.44 -1.34 -0.149 0.27578E+04 21 andalusite -0.61 -4.60 -3.99 -0.399 0.82007E+04 23 grossular 21.97 18.65 -3.32 -0.166 0.68136E+04 24 anhydrite -6.76 -11.48 -4.72 -2.360 0.97004E+04 25 ankerite -4.03 -7.97 -3.94 -0.656 0.80942E+04 27 phlogopite 18.77 17.21 -1.56 -0.087 0.32135E+04 29 anorthite 5.26 2.31 -2.95 -0.227 0.60580E+04 32 aragonite -0.08 -0.48 -0.40 -0.134 0.82497E+03 33 brucite 10.04 7.02 -3.02 -0.604 0.62039E+04 34 calcite -0.23 -0.48 -0.25 -0.082 0.50649E+03 35 carnegieite-low 5.60 2.08 -3.53 -0.504 0.72483E+04 36 carnegieite-high 6.35 2.08 -4.28 -0.611 0.87908E+04 37 carpholite-Mg 2.45 -0.10 -2.55 -0.170 0.52388E+04 39 celadonite 2.47 0.65 -1.82 -0.107 0.37394E+04 41 chrysotile 18.33 16.02 -2.31 -0.192 0.47427E+04 46 chlorite-Al-free 36.22 32.04 -4.18 -0.174 0.85957E+04 47 chloritoid-Mg 5.93 2.42 -3.51 -0.234 0.72106E+04 48 chloritoid-Fe 2.63 -2.18 -4.82 -0.321 0.99009E+04 49 chloritoid-Mn 4.85 0.19 -4.65 -0.310 0.95635E+04 51 coesite -1.99 -2.52 -0.52 -0.175 0.10770E+04 56 corundum 2.24 -2.08 -4.32 -0.393 0.88795E+04 58 cristobalite -2.22 -2.52 -0.30 -0.099 0.61169E+03 61 cymrite-K -0.27 -3.85 -3.58 -0.298 0.73529E+04 63 diaspore 0.32 -1.04 -1.36 -0.227 0.27974E+04 64 diamond -2.29 -4.78 -2.49 -0.712 0.51241E+04 65 diopside 12.38 11.41 -0.97 -0.097 0.19992E+04 66 hedenbergite 10.68 6.81 -3.88 -0.388 0.79655E+04 67 dolomite,ordered -1.75 -3.37 -1.62 -0.270 0.33337E+04 69 enstatite 12.73 9.00 -3.72 -0.372 0.76539E+04 70 clinoenstatite-HiP 13.64 9.00 -4.64 -0.464 0.95304E+04 71 clinoenstatite 12.65 9.00 -3.65 -0.365 0.74919E+04 72 protoenstatite 13.15 9.00 -4.15 -0.415 0.85243E+04 73 epidote 14.53 10.36 -4.17 -0.202 0.85762E+04 74 clinozoisite 11.45 8.18 -3.27 -0.148 0.67129E+04 78 forsterite 15.85 11.52 -4.33 -0.618 0.88938E+04 81 gibbsite 1.59 -1.04 -2.63 -0.376 0.54057E+04 82 glaucophane 13.81 10.11 -3.71 -0.100 0.76218E+04 84 goethite 4.69 1.13 -3.56 -0.769 0.73115E+04 85 graphite -2.69 -4.78 -2.09 -0.596 0.42905E+04 88 halite 1.34 -3.08 -4.42 -2.212 0.90909E+04 90 heulandite -9.42 -10.27 -0.85 -0.039 0.17419E+04 94 jadeite 1.82 -0.44 -2.26 -0.226 0.46420E+04 96 kalsilite 4.54 1.19 -3.35 -0.479 0.68950E+04 97 kaolinite -5.02 -7.11 -2.10 -0.191 0.43098E+04 98 kyanite -0.62 -4.60 -3.97 -0.397 0.81639E+04 100 laumontite -1.76 -2.72 -0.95 -0.064 0.19627E+04 101 lawsonite 3.91 2.31 -1.60 -0.106 0.32804E+04 102 leucite 1.45 -1.33 -2.79 -0.279 0.57257E+04 104 lizardite 17.90 16.02 -1.88 -0.157 0.38620E+04 105 magnesite -0.74 -2.89 -2.15 -0.717 0.44179E+04 108 minnesotaite-Mg 15.16 10.99 -4.17 -0.245 0.85750E+04 112 margarite 4.99 0.23 -4.76 -0.190 0.97728E+04 119 muscovite -3.89 -5.93 -2.04 -0.120 0.41988E+04 120 paragonite -2.66 -5.04 -2.38 -0.140 0.48921E+04 121 nepheline 5.01 2.08 -2.93 -0.419 0.60318E+04 133 phlogopite-Na 20.70 18.10 -2.60 -0.145 0.53486E+04 135 prehnite 11.14 9.22 -1.91 -0.113 0.39331E+04 136 prehnite-Fe 15.18 11.40 -3.78 -0.227 0.77691E+04 138 pumpellyite-Mg 28.80 24.43 -4.37 -0.097 0.89850E+04 141 pyrite -19.77 -21.46 -1.68 -0.396 0.34629E+04 142 pyrrhotite -4.99 -8.24 -3.26 -1.085 0.66904E+04 143 pyrrhotiteFe0.875 -6.38 -8.86 -2.48 -0.912 0.50981E+04 144 pyroxmangite 5.65 2.27 -3.37 -0.675 0.69316E+04 145 pyrophyllite -9.47 -12.15 -2.68 -0.167 0.55065E+04 151 rhodochrosite -1.81 -5.12 -3.31 -1.103 0.68012E+04 152 rhodonite 5.67 2.27 -3.40 -0.680 0.69888E+04 153 sanidine -2.84 -3.85 -1.01 -0.077 0.20691E+04 155 siderite -3.50 -7.49 -3.99 -1.331 0.82096E+04 156 sillimanite -0.41 -4.60 -4.18 -0.418 0.85979E+04 163 stilbite -9.48 -10.27 -0.79 -0.037 0.16169E+04 165 stilpnomelane-Mg 15.95 15.25 -0.71 -0.021 0.14529E+04 166 stishovite 2.38 -2.52 -4.90 -1.633 0.10069E+05 169 sulfur -8.69 -13.22 -4.53 -1.393 0.93074E+04 171 talc 11.79 10.99 -0.80 -0.047 0.16512E+04 178 topaz-H -0.27 -4.60 -4.33 -0.394 0.88998E+04 179 tridymite -2.26 -2.52 -0.26 -0.087 0.53618E+03 180 tremolite 35.67 33.81 -1.86 -0.050 0.38227E+04 182 troilite-low -5.06 -8.24 -3.18 -1.059 0.65317E+04 188 wairakite -1.54 -2.72 -1.18 -0.070 0.24342E+04 189 walstromite 9.25 6.91 -2.34 -0.468 0.48066E+04 190 wollastonite 8.39 6.91 -1.48 -0.295 0.30330E+04 191 pseudo-wollastonite 8.79 6.91 -1.88 -0.376 0.38645E+04 192 zoisite 11.49 8.18 -3.31 -0.150 0.68011E+04 193 beidellite-Ca -6.56 -10.10 -3.54 -0.219 0.72802E+04 194 beidellite-H -7.04 -11.66 -4.62 -0.295 0.94953E+04 195 beidellite-K -6.15 -10.09 -3.95 -0.242 0.81103E+04 196 beidellite-Mg -6.76 -10.50 -3.74 -0.231 0.76848E+04 197 beidellite-Na -6.05 -9.80 -3.75 -0.229 0.76994E+04 200 chalcedony -2.36 -2.52 -0.16 -0.052 0.31992E+03 201 chalcocite -23.21 -24.37 -1.16 -0.291 0.23916E+04 202 covellite -16.99 -18.79 -1.80 -0.686 0.36989E+04 204 montmorillonite-Ca -5.82 -7.93 -2.11 -0.131 0.43416E+04 205 montmorillonite-K -5.50 -7.92 -2.42 -0.148 0.49757E+04 206 montmorillonite-Mg -6.06 -8.33 -2.27 -0.141 0.46746E+04 207 montmorillonite-Na -5.36 -7.63 -2.27 -0.139 0.46686E+04 229 tobermorite 8.82 5.34 -3.48 -0.950 0.71549E+04 235 alabandite -2.03 -5.86 -3.84 -1.279 0.78833E+04 240 boehmite 1.45 -1.04 -2.49 -0.415 0.51210E+04 242 chalcopyrite -25.66 -27.04 -1.38 -0.257 0.28346E+04 245 copper,native -1.85 -5.58 -3.72 -1.295 0.76514E+04 246 dolomite,disordered -1.27 -3.37 -2.10 -0.350 0.43192E+04 247 ferrous-oxide 7.27 2.41 -4.86 -1.214 0.99826E+04 248 fluorite -10.51 -12.20 -1.69 -0.565 0.34832E+04 257 silica-amorphous -1.85 -2.52 -0.67 -0.224 0.13781E+04 261 wurtzite -8.47 -9.99 -1.52 -0.507 0.31271E+04 263 an20ab80 -1.03 -1.90 -0.88 -0.067 0.18025E+04 264 an25ab75 -0.67 -1.64 -0.97 -0.074 0.19861E+04 265 an30ab70 -0.32 -1.38 -1.06 -0.082 0.21800E+04 266 tr.625ac.25prg.125 32.15 28.12 -4.03 -0.109 0.82822E+04 271 FeS-amorphous -3.67 -8.24 -4.57 -1.523 0.93931E+04 Calculations done for 176.0000 Deg. C; 9.0933 bar Enthalpies: Pure water 3.2233 kcal/mole H2O,gas 11.9929 kcal/mole CO2,gas 1.8986 kcal/mole CH4,gas 1.8440 kcal/mole Current solution 136.6147 Gas 159.9158 kcal Total current enthalpy 296.5306 kcal Starting enthalpy 296.5306 kcal Temperature changed by -2.000 degrees to 174.000 degrees C. Solids and gases carried ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ Test file for CHIM-XPT. Boil Broadlands Water Water similar to Broadlands Well No. 2 CHIMRUN demo-2a ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ Number of loops used = 10 Loop limit = 200 Temperature = 174.00 C Pressure = 8.67 bar Mixer fraction = 0.0000000 Total current enthalpy = 296.5306 KCAL Water: Moles liquid = 0.4219E+02 kg liquid = 0.7601E+00 Moles total = 0.5551E+02 kg total = 0.1000E+01 Activity = 1.0000 Stoichiometric ionic strength = .4441868E-01 Osmotic coef. = 0.9222 True ionic strength = .4320263E-01 Chg. balance for total moles = 0.2402E-07 Max. difference allowed = 0.3072E-05 Log Log Log Species(n) Molality Molality Activity Activity Gamma Gamma 1 H+ 0.84864E-07 -7.0713 0.64111E-07 -7.1931 0.75546E+00 -0.1218 2 H2O 0.99998E+00 -0.0000 0.99998E+00 -0.0000 3 Cl- 0.39691E-01 -1.4013 0.29633E-01 -1.5282 0.74659E+00 -0.1269 4 SO4-- 0.91071E-06 -6.0406 0.30621E-06 -6.5140 0.33624E+00 -0.4734 5 HCO3- 0.25296E-02 -2.5969 0.18975E-02 -2.7218 0.75013E+00 -0.1249 6 HS- 0.44650E-03 -3.3502 0.33352E-03 -3.4769 0.74696E+00 -0.1267 7 H4SiO4 0.29693E-02 -2.5273 0.29693E-02 -2.5273 0.10000E+01 0.0000 8 Al+++ 0.31584E-21 -21.5005 0.26806E-22 -22.5718 0.84873E-01 -1.0712 9 Ca++ 0.35909E-04 -4.4448 0.11844E-04 -4.9265 0.32984E+00 -0.4817 10 Mg++ 0.14677E-06 -6.8334 0.47749E-07 -7.3210 0.32534E+00 -0.4877 11 Fe++ 0.27147E-11 -11.5663 0.88617E-12 -12.0525 0.32643E+00 -0.4862 12 K+ 0.48761E-02 -2.3119 0.36619E-02 -2.4363 0.75099E+00 -0.1244 13 Na+ 0.38204E-01 -1.4179 0.28524E-01 -1.5448 0.74662E+00 -0.1269 14 Mn++ 0.82990E-09 -9.0810 0.27159E-09 -9.5661 0.32725E+00 -0.4851 15 Zn++ 0.59341E-13 -13.2266 0.19371E-13 -13.7129 0.32643E+00 -0.4862 16 Cu+ 0.11224E-13 -13.9498 0.83790E-14 -14.0768 0.74649E+00 -0.1270 17 Pb++ 0.10807E-13 -13.9663 0.35951E-14 -14.4443 0.33267E+00 -0.4780 18 Hg++ 0.21128E-36 -36.6751 0.70002E-37 -37.1549 0.33132E+00 -0.4798 19 F- 0.31566E-03 -3.5008 0.23372E-03 -3.6313 0.74044E+00 -0.1305 21 HSiO3- 0.87899E-04 -4.0560 0.65624E-04 -4.1829 0.74659E+00 -0.1269 22 Ca(HSiO3)+ 0.99070E-07 -7.0041 0.74447E-07 -7.1282 0.75146E+00 -0.1241 23 Mg(HSiO3)+ 0.36908E-09 -9.4329 0.27735E-09 -9.5570 0.75146E+00 -0.1241 24 NaHSiO3,aq 0.19537E-04 -4.7091 0.19537E-04 -4.7091 0.10000E+01 0.0000 27 HAlO2,aq 0.34350E-08 -8.4641 0.34350E-08 -8.4641 0.10000E+01 0.0000 28 AlO2- 0.89397E-06 -6.0487 0.66276E-06 -6.1786 0.74136E+00 -0.1300 29 CH4,aq 0.21103E-05 -5.6756 0.20815E-05 -5.6816 0.98631E+00 -0.0060 34 CO,aq 0.12661E-09 -9.8975 0.12661E-09 -9.8975 0.10000E+01 0.0000 35 CO2,aq 0.90142E-03 -3.0451 0.88908E-03 -3.0511 0.98631E+00 -0.0060 36 CO3-2 0.43306E-05 -5.3634 0.14475E-05 -5.8394 0.33424E+00 -0.4759 37 CaCO3,aq 0.18333E-05 -5.7368 0.18333E-05 -5.7368 0.10000E+01 0.0000 38 Ca(HCO3)+ 0.37074E-05 -5.4309 0.27860E-05 -5.5550 0.75146E+00 -0.1241 39 CaCl+ 0.40130E-05 -5.3965 0.30156E-05 -5.5206 0.75146E+00 -0.1241 40 CaCl2,aq 0.28677E-07 -7.5425 0.28677E-07 -7.5425 0.10000E+01 0.0000 41 CaF+ 0.30058E-06 -6.5220 0.22587E-06 -6.6461 0.75146E+00 -0.1241 42 CaOH+ 0.96020E-06 -6.0176 0.72155E-06 -6.1417 0.75146E+00 -0.1241 43 CaSO4,aq 0.50486E-08 -8.2968 0.50486E-08 -8.2968 0.10000E+01 0.0000 44 HCl,aq 0.83795E-09 -9.0768 0.83795E-09 -9.0768 0.10000E+01 0.0000 61 HF,aq 0.57444E-06 -6.2408 0.57444E-06 -6.2408 0.10000E+01 0.0000 62 HF2- 0.61159E-10 -10.2135 0.45661E-10 -10.3405 0.74659E+00 -0.1269 76 H2,aq 0.40081E-05 -5.3971 0.39532E-05 -5.4030 0.98631E+00 -0.0060 90 KCl,aq 0.10119E-04 -4.9949 0.10119E-04 -4.9949 0.10000E+01 0.0000 92 KOH,aq 0.32099E-06 -6.4935 0.32099E-06 -6.4935 0.10000E+01 0.0000 93 KSO4- 0.75806E-07 -7.1203 0.56596E-07 -7.2472 0.74659E+00 -0.1269 94 MgCO3,aq 0.11833E-08 -8.9269 0.11833E-08 -8.9269 0.10000E+01 0.0000 95 Mg(HCO3)+ 0.14822E-07 -7.8291 0.11138E-07 -7.9532 0.75146E+00 -0.1241 96 MgCl+ 0.10442E-07 -7.9812 0.78466E-08 -8.1053 0.75146E+00 -0.1241 97 MgF+ 0.38047E-08 -8.4197 0.28591E-08 -8.5438 0.75146E+00 -0.1241 98 MgOH+ 0.14397E-07 -7.8417 0.10818E-07 -7.9658 0.75146E+00 -0.1241 101 MnO,aq 0.29708E-10 -10.5271 0.29708E-10 -10.5271 0.10000E+01 0.0000 102 MnOH+ 0.36821E-09 -9.4339 0.27670E-09 -9.5580 0.75146E+00 -0.1241 107 MnCl+ 0.68793E-09 -9.1625 0.51695E-09 -9.2865 0.75146E+00 -0.1241 109 NaCl,aq 0.71274E-03 -3.1471 0.71274E-03 -3.1471 0.10000E+01 0.0000 110 NaF,aq 0.43387E-05 -5.3626 0.43387E-05 -5.3626 0.10000E+01 0.0000 111 NaOH,aq 0.18802E-05 -5.7258 0.18802E-05 -5.7258 0.10000E+01 0.0000 113 OH- 0.77477E-04 -4.1108 0.57439E-04 -4.2408 0.74136E+00 -0.1300 124 Pb(HS)2,aq 0.10452E-08 -8.9808 0.10452E-08 -8.9808 0.10000E+01 0.0000 126 H2S,aq 0.97074E-04 -4.0129 0.95745E-04 -4.0189 0.98631E+00 -0.0060 127 S2-2 0.86910E-10 -10.0609 0.29048E-10 -10.5369 0.33424E+00 -0.4759 135 HSO4- 0.31125E-09 -9.5069 0.23447E-09 -9.6299 0.75333E+00 -0.1230 154 ZnOH+ 0.12449E-09 -9.9049 0.93552E-10 -10.0289 0.75146E+00 -0.1241 164 Cu(HS)2- 0.29705E-07 -7.5272 0.22178E-07 -7.6541 0.74659E+00 -0.1269 166 CuH4S3-b 0.29675E-09 -9.5276 0.22155E-09 -9.6545 0.74659E+00 -0.1269 179 MgSO4,aq 0.78978E-10 -10.1025 0.78978E-10 -10.1025 0.10000E+01 0.0000 180 MnCl2,aq 0.10884E-09 -9.9632 0.10884E-09 -9.9632 0.10000E+01 0.0000 181 MnCl3- 0.15697E-10 -10.8042 0.11719E-10 -10.9311 0.74659E+00 -0.1269 182 MnCO3,aq 0.15428E-08 -8.8117 0.15428E-08 -8.8117 0.10000E+01 0.0000 183 NaCO3- 0.16911E-05 -5.7718 0.12625E-05 -5.8988 0.74659E+00 -0.1269 184 NaHCO3,aq 0.36659E-04 -4.4358 0.36659E-04 -4.4358 0.10000E+01 0.0000 185 NaHS,aq 0.64434E-05 -5.1909 0.64434E-05 -5.1909 0.10000E+01 0.0000 186 NaSO4- 0.19763E-06 -6.7041 0.14755E-06 -6.8311 0.74659E+00 -0.1269 187 PbCO3,aq 0.16093E-09 -9.7934 0.16093E-09 -9.7934 0.10000E+01 0.0000 193 Zn(HS)2,aq 0.70228E-08 -8.1535 0.70228E-08 -8.1535 0.10000E+01 0.0000 194 Zn(HS)3- 0.21160E-09 -9.6745 0.15798E-09 -9.8014 0.74659E+00 -0.1269 Charge balance for all species = 0.3160E-07 Component Molality Aq.molality ppm log[A(N)/A(H+)**Z] (total) 1 H+ 0.8486355E-07 0.7985227E-03 0.8024263E+00 0.0000 2 H2O 0.1000000E+01 0.5550733E+02 0.9969539E+06 0.0000 3 Cl- 0.3969081E-01 0.4041775E-01 0.1428592E+04 5.6648 4 SO4-- 0.9107118E-06 -.1922795E-05 -.1841476E+00 7.8722 5 HCO3- 0.2529598E-02 0.3481370E-02 0.2117804E+03 4.4713 6 HS- 0.4465024E-03 0.5532093E-03 0.1824035E+02 3.7162 7 H4SiO4 0.2969282E-02 0.3076817E-02 0.2948342E+03 -2.5273 8 Al+++ 0.3158357E-21 0.8974099E-06 0.2414016E-01 -0.9926 9 Ca++ 0.3590924E-04 0.4685644E-04 0.1872227E+01 9.4596 10 Mg++ 0.1467698E-06 0.1918661E-06 0.4650527E-02 7.0651 11 Fe++ 0.2714718E-11 0.1928780E-10 0.1073905E-05 2.3336 12 K+ 0.4876116E-02 0.4886632E-02 0.1904986E+03 4.7568 13 Na+ 0.3820391E-01 0.3898739E-01 0.8935988E+03 5.6483 14 Mn++ 0.8299011E-09 0.3589202E-08 0.1965866E-03 4.8200 15 Zn++ 0.5934056E-13 0.7371153E-08 0.4803935E-03 0.6733 16 Cu+ 0.1122439E-13 0.3000478E-07 0.1900732E-02 -6.8837 17 Pb++ 0.1080696E-13 0.1224065E-08 0.2528461E-03 -0.0582 18 Hg++ 0.2112826E-36 0.1004687E-10 0.2009201E-05 -22.7688 19 F- 0.3156571E-03 0.3208748E-03 0.6077524E+01 3.5618 Component Tot moles Aq. moles Solid moles Gas moles 1 H+ 0.1822172E+00 0.6069301E-03 -.6472688E-05 0.1816168E+00 2 H2O 0.5550825E+02 0.4218925E+02 -.1103024E-01 0.1333003E+02 3 Cl- 0.3072017E-01 0.3072017E-01 0.0000000E+00 0.1203548E-09 4 SO4-- -.4257700E-02 -.1461452E-05 0.9892119E-09 -.4256240E-02 5 HCO3- 0.1832100E+00 0.2646072E-02 0.0000000E+00 0.1805639E+00 6 HS- 0.9985820E-02 0.4204757E-03 0.5053263E-07 0.9565294E-02 7 H4SiO4 0.7855346E-02 0.2338585E-02 0.5516761E-02 0.0000000E+00 8 Al+++ 0.2253680E-05 0.6820910E-06 0.1571589E-05 0.0000000E+00 9 Ca++ 0.3561400E-04 0.3561400E-04 0.0000000E+00 0.0000000E+00 10 Mg++ 0.2355503E-06 0.1458310E-06 0.8971931E-07 0.0000000E+00 11 Fe++ 0.8017372E-08 0.1466001E-10 0.8002712E-08 0.0000000E+00 12 K+ 0.3715700E-02 0.3714164E-02 0.1535661E-05 0.0000000E+00 13 Na+ 0.2963300E-01 0.2963300E-01 0.0000000E+00 0.0000000E+00 14 Mn++ 0.2740424E-08 0.2728032E-08 0.1239202E-10 0.0000000E+00 15 Zn++ 0.1530000E-07 0.5602565E-08 0.9697435E-08 0.0000000E+00 16 Cu+ 0.6237410E-07 0.2280562E-07 0.3956848E-07 0.0000000E+00 17 Pb++ 0.1110000E-07 0.9303702E-09 0.1016963E-07 0.0000000E+00 18 Hg++ 0.4000000E-08 0.7636289E-11 0.0000000E+00 0.3992364E-08 19 F- 0.2439100E-03 0.2438861E-03 0.0000000E+00 0.2388491E-07 Chg. balance for solid moles: 0.2596E-16 Mass of aqueous solution: 0.762374E+03 g Temperature = 174.00 C Pressure = 8.67 bar Mixer frac. = 0.0000000 Log Log Vol Gas or mineral Moles Moles Grams Grams Wt.% (cm3) H2O,gas 13.50 1.130 243.1 2.386 96.79 0.5416E+05 CO2,gas 0.1775 -0.751 7.814 0.893 3.111 780.7 CH4,gas 0.3015E-02 -2.521 0.4836E-01 -1.316 0.1925E-01 13.68 H2,gas 0.4965E-02 -2.304 0.1003E-01 -1.999 0.3993E-02 21.36 H2S,gas 0.5309E-02 -2.275 0.1809 -0.742 0.7203E-01 22.30 CO,gas 0.1660E-06 -6.780 0.4651E-05 -5.332 0.1851E-05 0.7116E-03 SO2,gas 0.8373E-14 -14.077 0.5364E-12 -12.271 0.2135E-12 0.3589E-10 HF,gas 0.2388E-07 -7.622 0.4777E-06 -6.321 0.1902E-06 0.1024E-03 HCl,gas 0.1204E-09 -9.920 0.4388E-08 -8.358 0.1747E-08 0.5159E-06 Hg,gas 0.3992E-08 -8.399 0.8008E-06 -6.096 0.3188E-06 0.1711E-04 clinochlore 0.1794E-07 -7.746 0.9974E-05 -5.001 0.3008E-02 0.3794E-05 daphnite 0.1780E-10 -10.749 0.1270E-07 -7.896 0.3831E-05 0.3849E-08 chlorite-Mn 0.2478E-11 -11.606 0.1757E-08 -8.755 0.5299E-06 0.5599E-09 microcline 0.1536E-05 -5.814 0.4274E-03 -3.369 0.1289 0.1670E-03 quartz 0.5512E-02 -2.259 0.3312 -0.480 99.87 0.1251 bornite 0.7914E-08 -8.102 0.3971E-05 -5.401 0.1198E-02 0.7812E-06 galena 0.1017E-07 -7.993 0.2433E-05 -5.614 0.7337E-03 0.3202E-06 sphalerite 0.9697E-08 -8.013 0.9448E-06 -6.025 0.2849E-03 0.2311E-06 Partial press. Fugacity coef Log fugacity Gas or Mineral Mole fraction or activity Activity coef Log activity H2O,gas 0.9861E+00 0.8553E+01 0.9400 0.905 CO2,gas 0.1297E-01 0.1125E+00 1.0189 -0.941 CH4,gas 0.2202E-03 0.1910E-02 1.0562 -2.695 H2,gas 0.3627E-03 0.3146E-02 1.0039 -2.501 H2S,gas 0.3878E-03 0.3364E-02 0.9799 -2.482 CO,gas 0.1213E-07 0.1052E-06 1.0000 -6.978 SO2,gas 0.6116E-15 0.5305E-14 1.0000 -14.275 HF,gas 0.1745E-08 0.1513E-07 1.0000 -7.820 HCl,gas 0.8791E-11 0.7625E-10 1.0000 -10.118 Hg,gas 0.2916E-09 0.2529E-08 1.0000 -8.597 clinochlore 0.9989E+00 0.9989E+00 1.0000 -0.000 daphnite 0.9910E-03 0.9910E-03 1.0000 -3.004 chlorite-Mn 0.1380E-03 0.1380E-03 1.0000 -3.860 microcline 0.1000E+01 0.1000E+01 1.0000 0.000 quartz 0.1000E+01 0.1000E+01 1.0000 0.000 bornite 0.1000E+01 0.1000E+01 1.0000 0.000 galena 0.1000E+01 0.1000E+01 1.0000 0.000 sphalerite 0.1000E+01 0.1000E+01 1.0000 0.000 Current weight percent of gas: 24.774071 % Solid products produced: Mass = 0.331612 g Volume = 0.125235 cm3 WARNING: mineral volume may be in error because some mineral densities were not supplied in SOLTHERM. See mineral list in file Skip_Species.txt. NON-Ideal mixing with H2O, CO2, CH4 Gases ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ The following gases and minerals are presently in matrix or were just added Gas or Mineral Log K Log Q Log(Q/K) Log(Q/K)/S Affinity Log Fugacity 1 H2O,gas 0.03 0.03 -0.00 -0.000 0.20254E-09 2 CO2,gas -8.04 -8.04 0.00 0.000 -0.83595E-10 3 CH4,gas 3.95 3.95 0.00 0.000 -0.18627E-09 4 H2,gas 6.00 6.00 0.00 0.000 -0.14538E-10 5 H2S,gas -7.25 -7.25 -0.00 -0.000 0.61788E-10 6 CO,gas 0.56 0.56 0.00 0.000 -0.68148E-12 7 SO2,gas -3.13 -3.13 0.00 0.000 -0.90864E-12 8 HF,gas -2.07 -2.07 -0.00 -0.000 0.18173E-11 9 HCl,gas 2.33 2.33 0.00 0.000 -0.27259E-11 10 Hg,gas -10.68 -10.68 -0.00 -0.000 0.21807E-10 43 clinochlore 25.76 25.76 0.00 0.000 -0.72692E-11 44 daphnite 17.12 17.12 0.00 0.000 -0.36346E-10 45 chlorite-Mn 33.83 33.83 -0.00 -0.000 0.14538E-10 115 microcline -3.82 -3.82 0.00 0.000 -0.18173E-11 146 quartz -2.53 -2.53 0.00 0.000 0.00000E+00 198 bornite -76.04 -76.04 0.00 0.000 0.00000E+00 249 galena -10.73 -10.73 0.00 0.000 -0.72692E-11 260 sphalerite -10.00 -10.00 0.00 0.000 -0.36346E-11 The following gases and minerals are presently EXCLUDED from matrix (Gases and minerals with log(Q/K) less than -5 are not listed below) Gas or Mineral Log K Log Q Log(Q/K) Log(Q/K)/S Affinity Log Fugacity 11 acmite 6.12 1.65 -4.47 -0.465 0.91541E+04 15 albite-high -1.53 -2.93 -1.40 -0.107 0.28566E+04 16 albite -2.28 -2.93 -0.64 -0.049 0.13166E+04 20 analcite 0.95 -0.40 -1.35 -0.150 0.27688E+04 21 andalusite -0.48 -4.51 -4.03 -0.403 0.82509E+04 23 grossular 22.21 18.81 -3.40 -0.170 0.69471E+04 24 anhydrite -6.72 -11.44 -4.72 -2.361 0.96610E+04 25 ankerite -3.98 -8.04 -4.05 -0.675 0.82915E+04 27 phlogopite 18.95 17.38 -1.57 -0.087 0.32190E+04 29 anorthite 5.43 2.42 -3.01 -0.231 0.61555E+04 32 aragonite -0.05 -0.46 -0.40 -0.135 0.82829E+03 33 brucite 10.09 7.07 -3.03 -0.605 0.61921E+04 34 calcite -0.21 -0.46 -0.25 -0.083 0.51107E+03 35 carnegieite-low 5.68 2.13 -3.55 -0.507 0.72642E+04 36 carnegieite-high 6.44 2.13 -4.31 -0.615 0.88140E+04 37 carpholite-Mg 2.59 0.03 -2.56 -0.171 0.52477E+04 39 celadonite 2.54 0.72 -1.82 -0.107 0.37147E+04 41 chrysotile 18.45 16.14 -2.31 -0.192 0.47209E+04 46 chlorite-Al-free 36.46 32.28 -4.18 -0.174 0.85474E+04 47 chloritoid-Mg 6.09 2.55 -3.54 -0.236 0.72416E+04 48 chloritoid-Fe 2.78 -2.18 -4.96 -0.331 0.10146E+05 49 chloritoid-Mn 4.99 0.31 -4.69 -0.312 0.95872E+04 51 coesite -2.00 -2.53 -0.53 -0.175 0.10763E+04 56 corundum 2.38 -1.99 -4.36 -0.397 0.89295E+04 58 cristobalite -2.23 -2.53 -0.30 -0.100 0.61465E+03 61 cymrite-K -0.23 -3.82 -3.59 -0.299 0.73460E+04 63 diaspore 0.38 -0.99 -1.37 -0.229 0.28058E+04 64 diamond -2.30 -4.80 -2.50 -0.713 0.51086E+04 65 diopside 12.47 11.47 -1.00 -0.100 0.20409E+04 66 hedenbergite 10.76 6.74 -4.02 -0.402 0.82277E+04 67 dolomite,ordered -1.69 -3.31 -1.62 -0.270 0.33105E+04 69 enstatite 12.83 9.08 -3.75 -0.375 0.76725E+04 70 clinoenstatite-HiP 13.74 9.08 -4.67 -0.467 0.95486E+04 71 clinoenstatite 12.75 9.08 -3.67 -0.367 0.75104E+04 72 protoenstatite 13.25 9.08 -4.18 -0.418 0.85451E+04 73 epidote 14.76 10.41 -4.35 -0.211 0.88968E+04 74 clinozoisite 11.70 8.36 -3.35 -0.152 0.68449E+04 78 forsterite 15.96 11.60 -4.36 -0.622 0.89137E+04 81 gibbsite 1.65 -0.99 -2.64 -0.377 0.53979E+04 82 glaucophane 14.01 10.29 -3.73 -0.101 0.76250E+04 84 goethite 4.73 1.05 -3.67 -0.794 0.75138E+04 85 graphite -2.71 -4.80 -2.09 -0.597 0.42771E+04 88 halite 1.35 -3.07 -4.43 -2.213 0.90561E+04 90 heulandite -9.34 -10.22 -0.87 -0.040 0.17856E+04 94 jadeite 1.87 -0.40 -2.27 -0.227 0.46455E+04 96 kalsilite 4.61 1.24 -3.37 -0.482 0.68974E+04 97 kaolinite -4.93 -7.04 -2.11 -0.191 0.43087E+04 98 kyanite -0.50 -4.51 -4.01 -0.401 0.82098E+04 100 laumontite -1.66 -2.63 -0.97 -0.065 0.19912E+04 101 lawsonite 4.04 2.42 -1.62 -0.108 0.33105E+04 102 leucite 1.51 -1.29 -2.80 -0.280 0.57372E+04 104 lizardite 18.01 16.14 -1.87 -0.156 0.38340E+04 105 magnesite -0.70 -2.85 -2.15 -0.715 0.43914E+04 108 minnesotaite-Mg 15.28 11.09 -4.19 -0.247 0.85744E+04 112 margarite 5.27 0.43 -4.83 -0.193 0.98860E+04 119 muscovite -3.74 -5.80 -2.06 -0.121 0.42226E+04 120 paragonite -2.50 -4.91 -2.41 -0.142 0.49301E+04 121 nepheline 5.08 2.13 -2.96 -0.422 0.60487E+04 133 phlogopite-Na 20.89 18.27 -2.63 -0.146 0.53719E+04 135 prehnite 11.32 9.35 -1.97 -0.116 0.40301E+04 136 prehnite-Fe 15.34 11.40 -3.94 -0.237 0.80588E+04 138 pumpellyite-Mg 29.25 24.78 -4.47 -0.099 0.91505E+04 141 pyrite -19.80 -21.56 -1.77 -0.416 0.36177E+04 142 pyrrhotite -4.97 -8.34 -3.37 -1.124 0.68968E+04 143 pyrrhotiteFe0.875 -6.37 -8.95 -2.58 -0.948 0.52743E+04 144 pyroxmangite 5.68 2.29 -3.39 -0.678 0.69391E+04 145 pyrophyllite -9.39 -12.09 -2.70 -0.169 0.55277E+04 151 rhodochrosite -1.79 -5.09 -3.31 -1.103 0.67722E+04 152 rhodonite 5.71 2.29 -3.42 -0.684 0.69969E+04 153 sanidine -2.81 -3.82 -1.01 -0.078 0.20690E+04 155 siderite -3.48 -7.58 -4.11 -1.369 0.84012E+04 156 sillimanite -0.29 -4.51 -4.23 -0.423 0.86494E+04 163 stilbite -9.44 -10.22 -0.78 -0.037 0.15870E+04 165 stilpnomelane-Mg 16.20 15.50 -0.70 -0.021 0.14397E+04 166 stishovite 2.39 -2.53 -4.92 -1.639 0.10061E+05 169 sulfur -8.69 -13.23 -4.53 -1.395 0.92775E+04 171 talc 11.89 11.09 -0.81 -0.047 0.16482E+04 178 topaz-H -0.16 -4.51 -4.36 -0.396 0.89137E+04 179 tridymite -2.26 -2.53 -0.26 -0.088 0.53845E+03 180 tremolite 35.94 34.03 -1.91 -0.052 0.39069E+04 182 troilite-low -5.04 -8.34 -3.29 -1.097 0.67356E+04 188 wairakite -1.41 -2.63 -1.22 -0.072 0.24997E+04 189 walstromite 9.30 6.93 -2.37 -0.473 0.48421E+04 190 wollastonite 8.43 6.93 -1.50 -0.300 0.30681E+04 191 pseudo-wollastonite 8.84 6.93 -1.91 -0.381 0.39017E+04 192 zoisite 11.75 8.36 -3.39 -0.154 0.69331E+04 193 beidellite-Ca -6.45 -10.03 -3.58 -0.221 0.73177E+04 194 beidellite-H -6.93 -11.59 -4.65 -0.297 0.95244E+04 195 beidellite-K -6.04 -10.02 -3.97 -0.243 0.81318E+04 196 beidellite-Mg -6.65 -10.42 -3.77 -0.233 0.77181E+04 197 beidellite-Na -5.95 -9.72 -3.78 -0.231 0.77258E+04 200 chalcedony -2.37 -2.53 -0.16 -0.052 0.31989E+03 201 chalcocite -23.31 -24.44 -1.13 -0.283 0.23163E+04 202 covellite -17.05 -18.83 -1.78 -0.678 0.36391E+04 204 montmorillonite-Ca -5.74 -7.87 -2.13 -0.132 0.43664E+04 205 montmorillonite-K -5.43 -7.87 -2.44 -0.149 0.49868E+04 206 montmorillonite-Mg -5.98 -8.27 -2.29 -0.142 0.46950E+04 207 montmorillonite-Na -5.28 -7.57 -2.29 -0.140 0.46823E+04 229 tobermorite 8.84 5.35 -3.49 -0.951 0.71328E+04 235 alabandite -2.00 -5.85 -3.85 -1.283 0.78751E+04 240 boehmite 1.52 -0.99 -2.51 -0.418 0.51370E+04 242 chalcopyrite -25.71 -27.17 -1.46 -0.271 0.29817E+04 245 copper,native -1.88 -5.60 -3.72 -1.295 0.76206E+04 246 dolomite,disordered -1.20 -3.31 -2.10 -0.350 0.43019E+04 247 ferrous-oxide 7.33 2.33 -4.99 -1.248 0.10215E+05 248 fluorite -10.49 -12.19 -1.70 -0.567 0.34833E+04 257 silica-amorphous -1.85 -2.53 -0.68 -0.225 0.13821E+04 261 wurtzite -8.47 -10.00 -1.53 -0.509 0.31273E+04 263 an20ab80 -0.96 -1.86 -0.90 -0.069 0.18387E+04 264 an25ab75 -0.60 -1.59 -0.99 -0.076 0.20265E+04 265 an30ab70 -0.24 -1.32 -1.09 -0.084 0.22246E+04 266 tr.625ac.25prg.125 32.43 28.19 -4.24 -0.114 0.86749E+04 271 FeS-amorphous -3.66 -8.34 -4.67 -1.557 0.95598E+04 Calculations done for 174.0000 Deg. C; 8.6737 bar Enthalpies: Pure water 3.1854 kcal/mole H2O,gas 11.9856 kcal/mole CO2,gas 1.8670 kcal/mole CH4,gas 1.8132 kcal/mole Current solution 134.3929 Gas 162.1376 kcal Total current enthalpy 296.5306 kcal Starting enthalpy 296.5306 kcal Temperature changed by -2.000 degrees to 172.000 degrees C. Solids and gases carried ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ Test file for CHIM-XPT. Boil Broadlands Water Water similar to Broadlands Well No. 2 CHIMRUN demo-2a ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ Number of loops used = 10 Loop limit = 200 Temperature = 172.00 C Pressure = 8.27 bar Mixer fraction = 0.0000000 Total current enthalpy = 296.5306 KCAL Water: Moles liquid = 0.4200E+02 kg liquid = 0.7566E+00 Moles total = 0.5551E+02 kg total = 0.1000E+01 Activity = 1.0000 Stoichiometric ionic strength = .4459052E-01 Osmotic coef. = 0.9226 True ionic strength = .4341734E-01 Chg. balance for total moles = 0.2402E-07 Max. difference allowed = 0.3072E-05 Log Log Log Species(n) Molality Molality Activity Activity Gamma Gamma 1 H+ 0.82337E-07 -7.0844 0.62278E-07 -7.2057 0.75638E+00 -0.1213 2 H2O 0.99998E+00 -0.0000 0.99998E+00 -0.0000 3 Cl- 0.39888E-01 -1.3992 0.29817E-01 -1.5255 0.74752E+00 -0.1264 4 SO4-- 0.97341E-06 -6.0117 0.32883E-06 -6.4830 0.33781E+00 -0.4713 5 HCO3- 0.25480E-02 -2.5938 0.19137E-02 -2.7181 0.75103E+00 -0.1243 6 HS- 0.44289E-03 -3.3537 0.33123E-03 -3.4799 0.74789E+00 -0.1262 7 H4SiO4 0.28967E-02 -2.5381 0.28967E-02 -2.5381 0.10000E+01 0.0000 8 Al+++ 0.31960E-21 -21.4954 0.27418E-22 -22.5620 0.85789E-01 -1.0666 9 Ca++ 0.36352E-04 -4.4395 0.12048E-04 -4.9191 0.33142E+00 -0.4796 10 Mg++ 0.15372E-06 -6.8133 0.50257E-07 -7.2988 0.32693E+00 -0.4855 11 Fe++ 0.21052E-11 -11.6767 0.69056E-12 -12.1608 0.32803E+00 -0.4841 12 K+ 0.48988E-02 -2.3099 0.36833E-02 -2.4338 0.75188E+00 -0.1239 13 Na+ 0.38395E-01 -1.4157 0.28701E-01 -1.5421 0.74754E+00 -0.1264 14 Mn++ 0.83433E-09 -9.0787 0.27436E-09 -9.5617 0.32884E+00 -0.4830 15 Zn++ 0.57283E-13 -13.2420 0.18790E-13 -13.7261 0.32803E+00 -0.4841 16 Cu+ 0.10270E-13 -13.9884 0.76758E-14 -14.1149 0.74742E+00 -0.1264 17 Pb++ 0.98940E-14 -14.0046 0.33070E-14 -14.4806 0.33424E+00 -0.4759 18 Hg++ 0.17394E-36 -36.7596 0.57903E-37 -37.2373 0.33290E+00 -0.4777 19 F- 0.31726E-03 -3.4986 0.23522E-03 -3.6285 0.74143E+00 -0.1299 21 HSiO3- 0.88257E-04 -4.0542 0.65974E-04 -4.1806 0.74752E+00 -0.1264 22 Ca(HSiO3)+ 0.96783E-07 -7.0142 0.72815E-07 -7.1378 0.75235E+00 -0.1236 23 Mg(HSiO3)+ 0.37606E-09 -9.4247 0.28293E-09 -9.5483 0.75235E+00 -0.1236 24 NaHSiO3,aq 0.19824E-04 -4.7028 0.19824E-04 -4.7028 0.10000E+01 0.0000 27 HAlO2,aq 0.32808E-08 -8.4840 0.32808E-08 -8.4840 0.10000E+01 0.0000 28 AlO2- 0.84333E-06 -6.0740 0.62604E-06 -6.2034 0.74235E+00 -0.1294 29 CH4,aq 0.19604E-05 -5.7077 0.19334E-05 -5.7137 0.98626E+00 -0.0060 34 CO,aq 0.10807E-09 -9.9663 0.10807E-09 -9.9663 0.10000E+01 0.0000 35 CO2,aq 0.84687E-03 -3.0722 0.83523E-03 -3.0782 0.98626E+00 -0.0060 36 CO3-2 0.45846E-05 -5.3387 0.15396E-05 -5.8126 0.33582E+00 -0.4739 37 CaCO3,aq 0.18612E-05 -5.7302 0.18612E-05 -5.7302 0.10000E+01 0.0000 38 Ca(HCO3)+ 0.36166E-05 -5.4417 0.27210E-05 -5.5653 0.75235E+00 -0.1236 39 CaCl+ 0.39024E-05 -5.4087 0.29359E-05 -5.5323 0.75235E+00 -0.1236 40 CaCl2,aq 0.27639E-07 -7.5585 0.27639E-07 -7.5585 0.10000E+01 0.0000 41 CaF+ 0.29177E-06 -6.5350 0.21951E-06 -6.6585 0.75235E+00 -0.1236 42 CaOH+ 0.91822E-06 -6.0371 0.69082E-06 -6.1606 0.75235E+00 -0.1236 43 CaSO4,aq 0.52596E-08 -8.2790 0.52596E-08 -8.2790 0.10000E+01 0.0000 44 HCl,aq 0.79157E-09 -9.1015 0.79157E-09 -9.1015 0.10000E+01 0.0000 61 HF,aq 0.53539E-06 -6.2713 0.53539E-06 -6.2713 0.10000E+01 0.0000 62 HF2- 0.57448E-10 -10.2407 0.42943E-10 -10.3671 0.74752E+00 -0.1264 76 H2,aq 0.36664E-05 -5.4358 0.36160E-05 -5.4418 0.98626E+00 -0.0060 90 KCl,aq 0.98100E-05 -5.0083 0.98100E-05 -5.0083 0.10000E+01 0.0000 92 KOH,aq 0.31534E-06 -6.5012 0.31534E-06 -6.5012 0.10000E+01 0.0000 93 KSO4- 0.78855E-07 -7.1032 0.58946E-07 -7.2295 0.74752E+00 -0.1264 94 MgCO3,aq 0.12569E-08 -8.9007 0.12569E-08 -8.9007 0.10000E+01 0.0000 95 Mg(HCO3)+ 0.14987E-07 -7.8243 0.11276E-07 -7.9479 0.75235E+00 -0.1236 96 MgCl+ 0.10596E-07 -7.9748 0.79722E-08 -8.0984 0.75235E+00 -0.1236 97 MgF+ 0.38375E-08 -8.4160 0.28871E-08 -8.5395 0.75235E+00 -0.1236 98 MgOH+ 0.14342E-07 -7.8434 0.10790E-07 -7.9670 0.75235E+00 -0.1236 101 MnO,aq 0.27776E-10 -10.5563 0.27776E-10 -10.5563 0.10000E+01 0.0000 102 MnOH+ 0.35682E-09 -9.4475 0.26845E-09 -9.5711 0.75235E+00 -0.1236 107 MnCl+ 0.65422E-09 -9.1843 0.49220E-09 -9.3079 0.75235E+00 -0.1236 109 NaCl,aq 0.70188E-03 -3.1537 0.70188E-03 -3.1537 0.10000E+01 0.0000 110 NaF,aq 0.42637E-05 -5.3702 0.42637E-05 -5.3702 0.10000E+01 0.0000 111 NaOH,aq 0.18583E-05 -5.7309 0.18583E-05 -5.7309 0.10000E+01 0.0000 113 OH- 0.77120E-04 -4.1128 0.57250E-04 -4.2422 0.74235E+00 -0.1294 124 Pb(HS)2,aq 0.95028E-09 -9.0222 0.95028E-09 -9.0222 0.10000E+01 0.0000 126 H2S,aq 0.91594E-04 -4.0381 0.90336E-04 -4.0441 0.98626E+00 -0.0060 127 S2-2 0.84966E-10 -10.0708 0.28533E-10 -10.5447 0.33582E+00 -0.4739 135 HSO4- 0.30284E-09 -9.5188 0.22840E-09 -9.6413 0.75420E+00 -0.1225 154 ZnOH+ 0.11361E-09 -9.9446 0.85478E-10 -10.0681 0.75235E+00 -0.1236 164 Cu(HS)2- 0.29626E-07 -7.5283 0.22146E-07 -7.6547 0.74752E+00 -0.1264 166 CuH4S3-b 0.31803E-09 -9.4975 0.23774E-09 -9.6239 0.74752E+00 -0.1264 179 MgSO4,aq 0.85265E-10 -10.0692 0.85265E-10 -10.0692 0.10000E+01 0.0000 180 MnCl2,aq 0.10009E-09 -9.9996 0.10009E-09 -9.9996 0.10000E+01 0.0000 181 MnCl3- 0.14278E-10 -10.8453 0.10673E-10 -10.9717 0.74752E+00 -0.1264 182 MnCO3,aq 0.16137E-08 -8.7922 0.16137E-08 -8.7922 0.10000E+01 0.0000 183 NaCO3- 0.17623E-05 -5.7539 0.13173E-05 -5.8803 0.74752E+00 -0.1264 184 NaHCO3,aq 0.35877E-04 -4.4452 0.35877E-04 -4.4452 0.10000E+01 0.0000 185 NaHS,aq 0.62100E-05 -5.2069 0.62100E-05 -5.2069 0.10000E+01 0.0000 186 NaSO4- 0.20867E-06 -6.6805 0.15598E-06 -6.8069 0.74752E+00 -0.1264 187 PbCO3,aq 0.15166E-09 -9.8191 0.15166E-09 -9.8191 0.10000E+01 0.0000 193 Zn(HS)2,aq 0.63719E-08 -8.1957 0.63719E-08 -8.1957 0.10000E+01 0.0000 194 Zn(HS)3- 0.19383E-09 -9.7126 0.14489E-09 -9.8390 0.74752E+00 -0.1264 Charge balance for all species = 0.3175E-07 Component Molality Aq.molality ppm log[A(N)/A(H+)**Z] (total) 1 H+ 0.8233680E-07 0.7381662E-03 0.7417725E+00 0.0000 2 H2O 0.1000000E+01 0.5550738E+02 0.9969518E+06 0.0000 3 Cl- 0.3988767E-01 0.4060333E-01 0.1435147E+04 5.6801 4 SO4-- 0.9734096E-06 -.1610383E-05 -.1542272E+00 7.9283 5 HCO3- 0.2548032E-02 0.3444582E-02 0.2095418E+03 4.4875 6 HS- 0.4428870E-03 0.5436437E-03 0.1792490E+02 3.7258 7 H4SiO4 0.2896743E-02 0.3004922E-02 0.2879441E+03 -2.5381 8 Al+++ 0.3196022E-21 0.8466149E-06 0.2277371E-01 -0.9450 9 Ca++ 0.3635176E-04 0.4707158E-04 0.1880818E+01 9.4922 10 Mg++ 0.1537230E-06 0.1992044E-06 0.4828380E-02 7.1125 11 Fe++ 0.2105207E-11 0.1436998E-10 0.8000882E-06 2.2505 12 K+ 0.4898807E-02 0.4909012E-02 0.1913705E+03 4.7719 13 Na+ 0.3839452E-01 0.3916640E-01 0.8976990E+03 5.6636 14 Mn++ 0.8343343E-09 0.3607161E-08 0.1975696E-03 4.8497 15 Zn++ 0.5728278E-13 0.6690436E-08 0.4360284E-03 0.6853 16 Cu+ 0.1026974E-13 0.2994694E-07 0.1897062E-02 -6.9092 17 Pb++ 0.9894013E-14 0.1118037E-08 0.2309441E-03 -0.0692 18 Hg++ 0.1739364E-36 0.9406787E-11 0.1881189E-05 -22.8260 19 F- 0.3172551E-03 0.3223500E-03 0.6105447E+01 3.5772 Component Tot moles Aq. moles Solid moles Gas moles 1 H+ 0.1822172E+00 0.5584909E-03 -.6631733E-05 0.1816654E+00 2 H2O 0.5550825E+02 0.4199646E+02 -.1116033E-01 0.1352295E+02 3 Cl- 0.3072017E-01 0.3072017E-01 0.0000000E+00 0.1111941E-09 4 SO4-- -.4257700E-02 -.1218403E-05 0.9929118E-09 -.4256483E-02 5 HCO3- 0.1832100E+00 0.2606144E-02 0.0000000E+00 0.1806039E+00 6 HS- 0.9985820E-02 0.4113167E-03 0.5127244E-07 0.9574452E-02 7 H4SiO4 0.7855346E-02 0.2273501E-02 0.5581844E-02 0.0000000E+00 8 Al+++ 0.2253680E-05 0.6405424E-06 0.1613138E-05 0.0000000E+00 9 Ca++ 0.3561400E-04 0.3561400E-04 0.0000000E+00 0.0000000E+00 10 Mg++ 0.2355503E-06 0.1507165E-06 0.8483379E-07 0.0000000E+00 11 Fe++ 0.8017372E-08 0.1087222E-10 0.8006500E-08 0.0000000E+00 12 K+ 0.3715700E-02 0.3714121E-02 0.1579174E-05 0.0000000E+00 13 Na+ 0.2963300E-01 0.2963300E-01 0.0000000E+00 0.0000000E+00 14 Mn++ 0.2740424E-08 0.2729150E-08 0.1127351E-10 0.0000000E+00 15 Zn++ 0.1530000E-07 0.5061932E-08 0.1023807E-07 0.0000000E+00 16 Cu+ 0.6237410E-07 0.2265763E-07 0.3971647E-07 0.0000000E+00 17 Pb++ 0.1110000E-07 0.8458984E-09 0.1025410E-07 0.0000000E+00 18 Hg++ 0.4000000E-08 0.7117103E-11 0.0000000E+00 0.3992883E-08 19 F- 0.2439100E-03 0.2438875E-03 0.0000000E+00 0.2245683E-07 Chg. balance for solid moles: 0.4109E-16 Mass of aqueous solution: 0.758892E+03 g Temperature = 172.00 C Pressure = 8.27 bar Mixer frac. = 0.0000000 Log Log Vol Gas or mineral Moles Moles Grams Grams Wt.% (cm3) H2O,gas 13.69 1.136 246.6 2.392 96.84 0.5747E+05 CO2,gas 0.1776 -0.751 7.815 0.893 3.069 814.6 CH4,gas 0.3030E-02 -2.519 0.4860E-01 -1.313 0.1908E-01 14.32 H2,gas 0.4907E-02 -2.309 0.9912E-02 -2.004 0.3892E-02 22.04 H2S,gas 0.5318E-02 -2.274 0.1812 -0.742 0.7117E-01 23.33 CO,gas 0.1538E-06 -6.813 0.4308E-05 -5.366 0.1692E-05 0.6882E-03 SO2,gas 0.7415E-14 -14.130 0.4750E-12 -12.323 0.1865E-12 0.3318E-10 HF,gas 0.2246E-07 -7.649 0.4491E-06 -6.348 0.1764E-06 0.1005E-03 HCl,gas 0.1112E-09 -9.954 0.4054E-08 -8.392 0.1592E-08 0.4975E-06 Hg,gas 0.3993E-08 -8.399 0.8009E-06 -6.096 0.3145E-06 0.1787E-04 clinochlore 0.1697E-07 -7.770 0.9431E-05 -5.025 0.2811E-02 0.3587E-05 daphnite 0.1264E-10 -10.898 0.9020E-08 -8.045 0.2688E-05 0.2733E-08 chlorite-Mn 0.2255E-11 -11.647 0.1599E-08 -8.796 0.4764E-06 0.5094E-09 microcline 0.1579E-05 -5.802 0.4395E-03 -3.357 0.1310 0.1717E-03 quartz 0.5577E-02 -2.254 0.3351 -0.475 99.86 0.1265 bornite 0.7943E-08 -8.100 0.3986E-05 -5.399 0.1188E-02 0.7842E-06 galena 0.1025E-07 -7.989 0.2453E-05 -5.610 0.7312E-03 0.3229E-06 sphalerite 0.1024E-07 -7.990 0.9975E-06 -6.001 0.2973E-03 0.2439E-06 Partial press. Fugacity coef Log fugacity Gas or Mineral Mole fraction or activity Activity coef Log activity H2O,gas 0.9863E+00 0.8158E+01 0.9417 0.886 CO2,gas 0.1279E-01 0.1058E+00 1.0188 -0.967 CH4,gas 0.2182E-03 0.1805E-02 1.0545 -2.720 H2,gas 0.3534E-03 0.2924E-02 1.0037 -2.532 H2S,gas 0.3830E-03 0.3169E-02 0.9805 -2.508 CO,gas 0.1108E-07 0.9164E-07 1.0000 -7.038 SO2,gas 0.5341E-15 0.4418E-14 1.0000 -14.355 HF,gas 0.1618E-08 0.1338E-07 1.0000 -7.874 HCl,gas 0.8009E-11 0.6625E-10 1.0000 -10.179 Hg,gas 0.2876E-09 0.2379E-08 1.0000 -8.624 clinochlore 0.9991E+00 0.9991E+00 1.0000 -0.000 daphnite 0.7444E-03 0.7444E-03 1.0000 -3.128 chlorite-Mn 0.1328E-03 0.1328E-03 1.0000 -3.877 microcline 0.1000E+01 0.1000E+01 1.0000 0.000 quartz 0.1000E+01 0.1000E+01 1.0000 0.000 bornite 0.1000E+01 0.1000E+01 1.0000 0.000 galena 0.1000E+01 0.1000E+01 1.0000 0.000 sphalerite 0.1000E+01 0.1000E+01 1.0000 0.000 Current weight percent of gas: 25.117056 % Solid products produced: Mass = 0.335526 g Volume = 0.126713 cm3 WARNING: mineral volume may be in error because some mineral densities were not supplied in SOLTHERM. See mineral list in file Skip_Species.txt. NON-Ideal mixing with H2O, CO2, CH4 Gases ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ The following gases and minerals are presently in matrix or were just added Gas or Mineral Log K Log Q Log(Q/K) Log(Q/K)/S Affinity Log Fugacity 1 H2O,gas 0.03 0.03 -0.00 -0.000 0.14673E-09 2 CO2,gas -8.04 -8.04 0.00 0.000 -0.61511E-10 3 CH4,gas 3.92 3.92 0.00 0.000 -0.13207E-09 4 H2,gas 6.00 6.00 0.00 0.000 -0.90458E-11 5 H2S,gas -7.26 -7.26 -0.00 -0.000 0.43420E-10 6 CO,gas 0.58 0.58 0.00 0.000 0.00000E+00 7 SO2,gas -3.07 -3.07 0.00 0.000 -0.27137E-11 8 HF,gas -2.04 -2.04 0.00 0.000 0.00000E+00 9 HCl,gas 2.37 2.37 -0.00 -0.000 0.90458E-12 10 Hg,gas -10.73 -10.73 0.00 0.000 -0.14473E-10 43 clinochlore 26.06 26.06 -0.00 -0.000 0.36183E-10 44 daphnite 17.39 17.39 -0.00 -0.000 0.36183E-10 45 chlorite-Mn 34.13 34.13 -0.00 -0.000 0.14473E-10 115 microcline -3.79 -3.79 -0.00 -0.000 0.90458E-11 146 quartz -2.54 -2.54 0.00 0.000 0.00000E+00 198 bornite -76.31 -76.31 0.00 0.000 -0.28947E-10 249 galena -10.75 -10.75 -0.00 -0.000 0.36183E-11 260 sphalerite -10.00 -10.00 -0.00 -0.000 0.36183E-11 The following gases and minerals are presently EXCLUDED from matrix (Gases and minerals with log(Q/K) less than -5 are not listed below) Gas or Mineral Log K Log Q Log(Q/K) Log(Q/K)/S Affinity Log Fugacity 11 acmite 6.16 1.56 -4.60 -0.477 0.93611E+04 15 albite-high -1.48 -2.90 -1.42 -0.109 0.28831E+04 16 albite -2.24 -2.90 -0.66 -0.050 0.13349E+04 20 analcite 1.01 -0.36 -1.36 -0.152 0.27796E+04 21 andalusite -0.35 -4.43 -4.07 -0.407 0.83002E+04 23 grossular 22.45 18.97 -3.48 -0.174 0.70805E+04 24 anhydrite -6.68 -11.40 -4.72 -2.362 0.96217E+04 25 ankerite -3.93 -8.10 -4.17 -0.695 0.84952E+04 27 phlogopite 19.13 17.55 -1.58 -0.088 0.32247E+04 29 anorthite 5.60 2.53 -3.07 -0.236 0.62524E+04 32 aragonite -0.02 -0.43 -0.41 -0.136 0.83165E+03 33 brucite 10.15 7.11 -3.03 -0.607 0.61802E+04 34 calcite -0.18 -0.43 -0.25 -0.084 0.51568E+03 35 carnegieite-low 5.75 2.18 -3.57 -0.511 0.72799E+04 36 carnegieite-high 6.52 2.18 -4.34 -0.620 0.88368E+04 37 carpholite-Mg 2.73 0.15 -2.58 -0.172 0.52563E+04 39 celadonite 2.60 0.79 -1.81 -0.107 0.36903E+04 41 chrysotile 18.57 16.26 -2.31 -0.192 0.46996E+04 46 chlorite-Al-free 36.70 32.52 -4.17 -0.174 0.85003E+04 47 chloritoid-Mg 6.25 2.68 -3.57 -0.238 0.72720E+04 49 chloritoid-Mn 5.14 0.42 -4.72 -0.315 0.96118E+04 51 coesite -2.01 -2.54 -0.53 -0.176 0.10757E+04 56 corundum 2.52 -1.89 -4.41 -0.401 0.89785E+04 58 cristobalite -2.23 -2.54 -0.30 -0.101 0.61766E+03 61 cymrite-K -0.18 -3.79 -3.60 -0.300 0.73390E+04 63 diaspore 0.44 -0.94 -1.38 -0.230 0.28139E+04 64 diamond -2.32 -4.82 -2.50 -0.714 0.50927E+04 65 diopside 12.55 11.53 -1.02 -0.102 0.20828E+04 66 hedenbergite 10.84 6.67 -4.17 -0.417 0.84967E+04 67 dolomite,ordered -1.63 -3.24 -1.61 -0.269 0.32871E+04 69 enstatite 12.92 9.15 -3.78 -0.378 0.76914E+04 70 clinoenstatite-HiP 13.85 9.15 -4.70 -0.470 0.95669E+04 71 clinoenstatite 12.85 9.15 -3.70 -0.370 0.75290E+04 72 protoenstatite 13.35 9.15 -4.21 -0.421 0.85661E+04 73 epidote 14.98 10.45 -4.53 -0.220 0.92238E+04 74 clinozoisite 11.96 8.54 -3.42 -0.156 0.69763E+04 78 forsterite 16.07 11.69 -4.39 -0.627 0.89336E+04 81 gibbsite 1.70 -0.94 -2.65 -0.378 0.53897E+04 82 glaucophane 14.22 10.47 -3.75 -0.101 0.76286E+04 84 goethite 4.77 0.97 -3.79 -0.820 0.77227E+04 85 graphite -2.73 -4.82 -2.09 -0.598 0.42632E+04 88 halite 1.36 -3.07 -4.43 -2.214 0.90208E+04 90 heulandite -9.27 -10.16 -0.90 -0.041 0.18293E+04 94 jadeite 1.92 -0.36 -2.28 -0.228 0.46489E+04 96 kalsilite 4.68 1.29 -3.39 -0.484 0.68995E+04 97 kaolinite -4.85 -6.97 -2.11 -0.192 0.43072E+04 98 kyanite -0.38 -4.43 -4.05 -0.405 0.82550E+04 100 laumontite -1.56 -2.55 -0.99 -0.066 0.20198E+04 101 lawsonite 4.17 2.53 -1.64 -0.109 0.33405E+04 102 leucite 1.57 -1.25 -2.82 -0.282 0.57486E+04 104 lizardite 18.13 16.26 -1.87 -0.156 0.38066E+04 105 magnesite -0.67 -2.81 -2.14 -0.714 0.43648E+04 108 minnesotaite-Mg 15.39 11.19 -4.21 -0.248 0.85743E+04 112 margarite 5.54 0.64 -4.91 -0.196 0.99980E+04 119 muscovite -3.59 -5.68 -2.08 -0.123 0.42456E+04 120 paragonite -2.35 -4.79 -2.44 -0.143 0.49675E+04 121 nepheline 5.16 2.18 -2.98 -0.425 0.60654E+04 133 phlogopite-Na 21.09 18.44 -2.65 -0.147 0.53952E+04 135 prehnite 11.51 9.48 -2.03 -0.119 0.41269E+04 136 prehnite-Fe 15.50 11.40 -4.10 -0.247 0.83554E+04 138 pumpellyite-Mg 29.70 25.13 -4.57 -0.102 0.93158E+04 141 pyrite -19.82 -21.67 -1.86 -0.436 0.37786E+04 142 pyrrhotite -4.94 -8.43 -3.49 -1.163 0.71094E+04 143 pyrrhotiteFe0.875 -6.35 -9.03 -2.68 -0.985 0.54560E+04 144 pyroxmangite 5.72 2.31 -3.41 -0.682 0.69482E+04 145 pyrophyllite -9.32 -12.04 -2.72 -0.170 0.55484E+04 151 rhodochrosite -1.76 -5.07 -3.31 -1.104 0.67445E+04 152 rhodonite 5.75 2.31 -3.44 -0.688 0.70067E+04 153 sanidine -2.77 -3.79 -1.02 -0.078 0.20688E+04 155 siderite -3.45 -7.67 -4.22 -1.407 0.85989E+04 156 sillimanite -0.16 -4.43 -4.27 -0.427 0.87001E+04 163 stilbite -9.40 -10.16 -0.76 -0.036 0.15574E+04 165 stilpnomelane-Mg 16.45 15.75 -0.70 -0.021 0.14271E+04 166 stishovite 2.40 -2.54 -4.94 -1.645 0.10052E+05 169 sulfur -8.70 -13.24 -4.54 -1.397 0.92473E+04 171 talc 11.99 11.19 -0.81 -0.048 0.16458E+04 178 topaz-H -0.05 -4.43 -4.38 -0.398 0.89270E+04 179 tridymite -2.27 -2.54 -0.27 -0.088 0.54079E+03 180 tremolite 36.20 34.24 -1.96 -0.053 0.39924E+04 182 troilite-low -5.03 -8.43 -3.41 -1.137 0.69457E+04 188 wairakite -1.29 -2.55 -1.26 -0.074 0.25649E+04 189 walstromite 9.35 6.95 -2.39 -0.479 0.48778E+04 190 wollastonite 8.48 6.95 -1.52 -0.305 0.31034E+04 191 pseudo-wollastonite 8.89 6.95 -1.93 -0.387 0.39390E+04 192 zoisite 12.00 8.54 -3.47 -0.158 0.70646E+04 193 beidellite-Ca -6.34 -9.95 -3.61 -0.223 0.73547E+04 194 beidellite-H -6.83 -11.52 -4.69 -0.299 0.95528E+04 195 beidellite-K -5.94 -9.94 -4.00 -0.245 0.81526E+04 196 beidellite-Mg -6.54 -10.34 -3.81 -0.235 0.77506E+04 197 beidellite-Na -5.84 -9.65 -3.81 -0.233 0.77516E+04 200 chalcedony -2.38 -2.54 -0.16 -0.052 0.31985E+03 201 chalcocite -23.41 -24.50 -1.10 -0.275 0.22383E+04 202 covellite -17.11 -18.87 -1.76 -0.669 0.35779E+04 204 montmorillonite-Ca -5.66 -7.82 -2.16 -0.133 0.43910E+04 205 montmorillonite-K -5.36 -7.81 -2.45 -0.150 0.49976E+04 206 montmorillonite-Mg -5.89 -8.21 -2.31 -0.143 0.47151E+04 207 montmorillonite-Na -5.21 -7.51 -2.31 -0.141 0.46957E+04 229 tobermorite 8.86 5.37 -3.49 -0.953 0.71111E+04 235 alabandite -1.97 -5.84 -3.86 -1.288 0.78682E+04 240 boehmite 1.58 -0.94 -2.53 -0.422 0.51525E+04 242 chalcopyrite -25.77 -27.31 -1.54 -0.286 0.31338E+04 245 copper,native -1.91 -5.63 -3.73 -1.296 0.75886E+04 246 dolomite,disordered -1.14 -3.24 -2.10 -0.351 0.42843E+04 248 fluorite -10.47 -12.18 -1.71 -0.570 0.34829E+04 257 silica-amorphous -1.86 -2.54 -0.68 -0.227 0.13860E+04 261 wurtzite -8.46 -10.00 -1.54 -0.512 0.31273E+04 263 an20ab80 -0.89 -1.81 -0.92 -0.071 0.18748E+04 264 an25ab75 -0.53 -1.54 -1.01 -0.078 0.20666E+04 265 an30ab70 -0.16 -1.27 -1.11 -0.086 0.22691E+04 266 tr.625ac.25prg.125 32.72 28.26 -4.46 -0.120 0.90766E+04 271 FeS-amorphous -3.66 -8.43 -4.78 -1.593 0.97328E+04 Calculations done for 172.0000 Deg. C; 8.2720 bar Enthalpies: Pure water 3.1476 kcal/mole H2O,gas 11.9780 kcal/mole CO2,gas 1.8359 kcal/mole CH4,gas 1.7828 kcal/mole Current solution 132.1893 Gas 164.3412 kcal Total current enthalpy 296.5306 kcal Starting enthalpy 296.5306 kcal Temperature changed by -2.000 degrees to 170.000 degrees C. Solids and gases carried ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ Test file for CHIM-XPT. Boil Broadlands Water Water similar to Broadlands Well No. 2 CHIMRUN demo-2a ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ Number of loops used = 10 Loop limit = 200 Temperature = 170.00 C Pressure = 7.88 bar Mixer fraction = 0.0000000 Total current enthalpy = 296.5306 KCAL Water: Moles liquid = 0.4181E+02 kg liquid = 0.7531E+00 Moles total = 0.5551E+02 kg total = 0.1000E+01 Activity = 1.0000 Stoichiometric ionic strength = .4476497E-01 Osmotic coef. = 0.9230 True ionic strength = .4363250E-01 Chg. balance for total moles = 0.2402E-07 Max. difference allowed = 0.3072E-05 Log Log Log Species(n) Molality Molality Activity Activity Gamma Gamma 1 H+ 0.79848E-07 -7.0977 0.60467E-07 -7.2185 0.75728E+00 -0.1207 2 H2O 0.99998E+00 -0.0000 0.99998E+00 -0.0000 3 Cl- 0.40085E-01 -1.3970 0.30001E-01 -1.5229 0.74844E+00 -0.1258 4 SO4-- 0.10402E-05 -5.9829 0.35303E-06 -6.4522 0.33938E+00 -0.4693 5 HCO3- 0.25666E-02 -2.5906 0.19299E-02 -2.7145 0.75192E+00 -0.1238 6 HS- 0.43920E-03 -3.3573 0.32887E-03 -3.4830 0.74881E+00 -0.1256 7 H4SiO4 0.28253E-02 -2.5489 0.28253E-02 -2.5489 0.10000E+01 0.0000 8 Al+++ 0.32321E-21 -21.4905 0.28024E-22 -22.5525 0.86707E-01 -1.0619 9 Ca++ 0.36788E-04 -4.4343 0.12250E-04 -4.9119 0.33299E+00 -0.4776 10 Mg++ 0.16104E-06 -6.7931 0.52907E-07 -7.2765 0.32853E+00 -0.4834 11 Fe++ 0.16127E-11 -11.7925 0.53156E-12 -12.2745 0.32961E+00 -0.4820 12 K+ 0.49216E-02 -2.3079 0.37047E-02 -2.4312 0.75275E+00 -0.1233 13 Na+ 0.38585E-01 -1.4136 0.28879E-01 -1.5394 0.74845E+00 -0.1258 14 Mn++ 0.83718E-09 -9.0772 0.27663E-09 -9.5581 0.33043E+00 -0.4809 15 Zn++ 0.55239E-13 -13.2578 0.18207E-13 -13.7398 0.32961E+00 -0.4820 16 Cu+ 0.94018E-14 -14.0268 0.70356E-14 -14.1527 0.74833E+00 -0.1259 17 Pb++ 0.90432E-14 -14.0437 0.30368E-14 -14.5176 0.33581E+00 -0.4739 18 Hg++ 0.14302E-36 -36.8446 0.47836E-37 -37.3202 0.33447E+00 -0.4756 19 F- 0.31885E-03 -3.4964 0.23673E-03 -3.6258 0.74243E+00 -0.1293 21 HSiO3- 0.88576E-04 -4.0527 0.66294E-04 -4.1785 0.74844E+00 -0.1258 22 Ca(HSiO3)+ 0.94505E-07 -7.0245 0.71183E-07 -7.1476 0.75322E+00 -0.1231 23 Mg(HSiO3)+ 0.38320E-09 -9.4166 0.28863E-09 -9.5397 0.75322E+00 -0.1231 24 NaHSiO3,aq 0.20116E-04 -4.6965 0.20116E-04 -4.6965 0.10000E+01 0.0000 27 HAlO2,aq 0.31298E-08 -8.5045 0.31298E-08 -8.5045 0.10000E+01 0.0000 28 AlO2- 0.79474E-06 -6.0998 0.59075E-06 -6.2286 0.74332E+00 -0.1288 29 CH4,aq 0.18213E-05 -5.7396 0.17961E-05 -5.7457 0.98621E+00 -0.0060 34 CO,aq 0.92168E-10 -10.0354 0.92168E-10 -10.0354 0.10000E+01 0.0000 35 CO2,aq 0.79565E-03 -3.0993 0.78468E-03 -3.1053 0.98621E+00 -0.0060 36 CO3-2 0.48533E-05 -5.3140 0.16374E-05 -5.7858 0.33739E+00 -0.4719 37 CaCO3,aq 0.18893E-05 -5.7237 0.18893E-05 -5.7237 0.10000E+01 0.0000 38 Ca(HCO3)+ 0.35282E-05 -5.4525 0.26575E-05 -5.5755 0.75322E+00 -0.1231 39 CaCl+ 0.37945E-05 -5.4208 0.28581E-05 -5.5439 0.75322E+00 -0.1231 40 CaCl2,aq 0.26648E-07 -7.5743 0.26648E-07 -7.5743 0.10000E+01 0.0000 41 CaF+ 0.28321E-06 -6.5479 0.21332E-06 -6.6710 0.75322E+00 -0.1231 42 CaOH+ 0.87735E-06 -6.0568 0.66084E-06 -6.1799 0.75322E+00 -0.1231 43 CaSO4,aq 0.54787E-08 -8.2613 0.54787E-08 -8.2613 0.10000E+01 0.0000 44 HCl,aq 0.74779E-09 -9.1262 0.74779E-09 -9.1262 0.10000E+01 0.0000 61 HF,aq 0.49880E-06 -6.3021 0.49880E-06 -6.3021 0.10000E+01 0.0000 62 HF2- 0.53933E-10 -10.2681 0.40365E-10 -10.3940 0.74844E+00 -0.1258 76 H2,aq 0.33517E-05 -5.4747 0.33055E-05 -5.4808 0.98621E+00 -0.0060 90 KCl,aq 0.95099E-05 -5.0218 0.95099E-05 -5.0218 0.10000E+01 0.0000 92 KOH,aq 0.30965E-06 -6.5091 0.30965E-06 -6.5091 0.10000E+01 0.0000 93 KSO4- 0.82029E-07 -7.0860 0.61394E-07 -7.2119 0.74844E+00 -0.1258 94 MgCO3,aq 0.13359E-08 -8.8742 0.13359E-08 -8.8742 0.10000E+01 0.0000 95 Mg(HCO3)+ 0.15162E-07 -7.8192 0.11420E-07 -7.9423 0.75322E+00 -0.1231 96 MgCl+ 0.10759E-07 -7.9682 0.81039E-08 -8.0913 0.75322E+00 -0.1231 97 MgF+ 0.38725E-08 -8.4120 0.29169E-08 -8.5351 0.75322E+00 -0.1231 98 MgOH+ 0.14287E-07 -7.8451 0.10761E-07 -7.9681 0.75322E+00 -0.1231 101 MnO,aq 0.25904E-10 -10.5866 0.25904E-10 -10.5866 0.10000E+01 0.0000 102 MnOH+ 0.34502E-09 -9.4622 0.25988E-09 -9.5852 0.75322E+00 -0.1231 107 MnCl+ 0.62103E-09 -9.2069 0.46777E-09 -9.3300 0.75322E+00 -0.1231 109 NaCl,aq 0.69127E-03 -3.1604 0.69127E-03 -3.1604 0.10000E+01 0.0000 110 NaF,aq 0.41906E-05 -5.3777 0.41906E-05 -5.3777 0.10000E+01 0.0000 111 NaOH,aq 0.18360E-05 -5.7361 0.18360E-05 -5.7361 0.10000E+01 0.0000 113 OH- 0.76725E-04 -4.1151 0.57031E-04 -4.2439 0.74332E+00 -0.1288 124 Pb(HS)2,aq 0.86343E-09 -9.0638 0.86343E-09 -9.0638 0.10000E+01 0.0000 126 H2S,aq 0.86421E-04 -4.0634 0.85229E-04 -4.0694 0.98621E+00 -0.0060 127 S2-2 0.83032E-10 -10.0808 0.28014E-10 -10.5526 0.33739E+00 -0.4719 135 HSO4- 0.29448E-09 -9.5309 0.22236E-09 -9.6530 0.75507E+00 -0.1220 154 ZnOH+ 0.10353E-09 -9.9849 0.77984E-10 -10.1080 0.75322E+00 -0.1231 164 Cu(HS)2- 0.29594E-07 -7.5288 0.22149E-07 -7.6546 0.74844E+00 -0.1258 166 CuH4S3-b 0.34147E-09 -9.4666 0.25557E-09 -9.5925 0.74844E+00 -0.1258 179 MgSO4,aq 0.92071E-10 -10.0359 0.92071E-10 -10.0359 0.10000E+01 0.0000 180 MnCl2,aq 0.91913E-10 -10.0366 0.91913E-10 -10.0366 0.10000E+01 0.0000 181 MnCl3- 0.12965E-10 -10.8872 0.97032E-11 -11.0131 0.74844E+00 -0.1258 182 MnCO3,aq 0.16854E-08 -8.7733 0.16854E-08 -8.7733 0.10000E+01 0.0000 183 NaCO3- 0.18367E-05 -5.7360 0.13747E-05 -5.8618 0.74844E+00 -0.1258 184 NaHCO3,aq 0.35133E-04 -4.4543 0.35133E-04 -4.4543 0.10000E+01 0.0000 185 NaHS,aq 0.59871E-05 -5.2228 0.59871E-05 -5.2228 0.10000E+01 0.0000 186 NaSO4- 0.22031E-06 -6.6570 0.16489E-06 -6.7828 0.74844E+00 -0.1258 187 PbCO3,aq 0.14270E-09 -9.8456 0.14270E-09 -9.8456 0.10000E+01 0.0000 193 Zn(HS)2,aq 0.57851E-08 -8.2377 0.57851E-08 -8.2377 0.10000E+01 0.0000 194 Zn(HS)3- 0.17749E-09 -9.7508 0.13284E-09 -9.8767 0.74844E+00 -0.1258 Charge balance for all species = 0.3189E-07 Component Molality Aq.molality ppm log[A(N)/A(H+)**Z] (total) 1 H+ 0.7984764E-07 0.6814961E-03 0.6848232E+00 0.0000 2 H2O 0.1000000E+01 0.5550743E+02 0.9969493E+06 0.0000 3 Cl- 0.4008496E-01 0.4078960E-01 0.1441726E+04 5.6956 4 SO4-- 0.1040219E-05 -.1310760E-05 -.1255317E+00 7.9848 5 HCO3- 0.2566576E-02 0.3411309E-02 0.2075170E+03 4.5040 6 HS- 0.4391979E-03 0.5343394E-03 0.1761806E+02 3.7355 7 H4SiO4 0.2825310E-02 0.2934097E-02 0.2811563E+03 -2.5489 8 Al+++ 0.3232051E-21 0.7978689E-06 0.2146239E-01 -0.8970 9 Ca++ 0.3678828E-04 0.4728753E-04 0.1889440E+01 9.5251 10 Mg++ 0.1610444E-06 0.2069361E-06 0.5015768E-02 7.1605 11 Fe++ 0.1612666E-11 0.1057903E-10 0.5890146E-06 2.1625 12 K+ 0.4921575E-02 0.4931477E-02 0.1922456E+03 4.7872 13 Na+ 0.3858549E-01 0.3934608E-01 0.9018143E+03 5.6791 14 Mn++ 0.8371838E-09 0.3625176E-08 0.1985557E-03 4.8789 15 Zn++ 0.5523890E-13 0.6076114E-08 0.3959905E-03 0.6972 16 Cu+ 0.9401765E-14 0.2993784E-07 0.1896479E-02 -6.9342 17 Pb++ 0.9043181E-14 0.1020534E-08 0.2108030E-03 -0.0806 18 Hg++ 0.1430213E-36 0.8819581E-11 0.1763753E-05 -22.8833 19 F- 0.3188540E-03 0.3238306E-03 0.6133469E+01 3.5927 Component Tot moles Aq. moles Solid moles Gas moles 1 H+ 0.1822172E+00 0.5132601E-03 -.6782662E-05 0.1817107E+00 2 H2O 0.5550825E+02 0.4180472E+02 -.1128771E-01 0.1371482E+02 3 Cl- 0.3072017E-01 0.3072017E-01 0.0000000E+00 0.1026410E-09 4 SO4-- -.4257700E-02 -.9871825E-06 0.9956698E-09 -.4256714E-02 5 HCO3- 0.1832100E+00 0.2569184E-02 0.0000000E+00 0.1806408E+00 6 HS- 0.9985820E-02 0.4024310E-03 0.5192102E-07 0.9583337E-02 7 H4SiO4 0.7855346E-02 0.2209778E-02 0.5645568E-02 0.0000000E+00 8 Al+++ 0.2253680E-05 0.6009049E-06 0.1652775E-05 0.0000000E+00 9 Ca++ 0.3561400E-04 0.3561400E-04 0.0000000E+00 0.0000000E+00 10 Mg++ 0.2355503E-06 0.1558513E-06 0.7969896E-07 0.0000000E+00 11 Fe++ 0.8017372E-08 0.7967460E-11 0.8009405E-08 0.0000000E+00 12 K+ 0.3715700E-02 0.3714079E-02 0.1620874E-05 0.0000000E+00 13 Na+ 0.2963300E-01 0.2963300E-01 0.0000000E+00 0.0000000E+00 14 Mn++ 0.2740424E-08 0.2730255E-08 0.1016856E-10 0.0000000E+00 15 Zn++ 0.1530000E-07 0.4576148E-08 0.1072385E-07 0.0000000E+00 16 Cu+ 0.6237410E-07 0.2254731E-07 0.3982679E-07 0.0000000E+00 17 Pb++ 0.1110000E-07 0.7686024E-09 0.1033140E-07 0.0000000E+00 18 Hg++ 0.4000000E-08 0.6642356E-11 0.0000000E+00 0.3993358E-08 19 F- 0.2439100E-03 0.2438889E-03 0.0000000E+00 0.2109923E-07 Chg. balance for solid moles: -.4970E-16 Mass of aqueous solution: 0.755429E+03 g Temperature = 170.00 C Pressure = 7.88 bar Mixer frac. = 0.0000000 Log Log Vol Gas or mineral Moles Moles Grams Grams Wt.% (cm3) H2O,gas 13.88 1.143 250.1 2.398 96.88 0.6099E+05 CO2,gas 0.1776 -0.751 7.816 0.893 3.028 850.4 CH4,gas 0.3045E-02 -2.516 0.4884E-01 -1.311 0.1892E-01 15.01 H2,gas 0.4847E-02 -2.315 0.9790E-02 -2.009 0.3793E-02 22.73 H2S,gas 0.5327E-02 -2.274 0.1815 -0.741 0.7033E-01 24.42 CO,gas 0.1424E-06 -6.847 0.3988E-05 -5.399 0.1545E-05 0.6654E-03 SO2,gas 0.6557E-14 -14.183 0.4201E-12 -12.377 0.1627E-12 0.3064E-10 HF,gas 0.2110E-07 -7.676 0.4220E-06 -6.375 0.1635E-06 0.9860E-04 HCl,gas 0.1026E-09 -9.989 0.3742E-08 -8.427 0.1450E-08 0.4797E-06 Hg,gas 0.3993E-08 -8.399 0.8010E-06 -6.096 0.3103E-06 0.1866E-04 clinochlore 0.1594E-07 -7.798 0.8860E-05 -5.053 0.2611E-02 0.3370E-05 daphnite 0.8809E-11 -11.055 0.6285E-08 -8.202 0.1852E-05 0.1905E-08 chlorite-Mn 0.2034E-11 -11.692 0.1442E-08 -8.841 0.4249E-06 0.4595E-09 microcline 0.1621E-05 -5.790 0.4512E-03 -3.346 0.1329 0.1762E-03 quartz 0.5641E-02 -2.249 0.3389 -0.470 99.86 0.1280 bornite 0.7965E-08 -8.099 0.3997E-05 -5.398 0.1178E-02 0.7863E-06 galena 0.1033E-07 -7.986 0.2472E-05 -5.607 0.7284E-03 0.3253E-06 sphalerite 0.1072E-07 -7.970 0.1045E-05 -5.981 0.3079E-03 0.2555E-06 Partial press. Fugacity coef Log fugacity Gas or Mineral Mole fraction or activity Activity coef Log activity H2O,gas 0.9864E+00 0.7777E+01 0.9435 0.866 CO2,gas 0.1262E-01 0.9948E-01 1.0186 -0.994 CH4,gas 0.2163E-03 0.1706E-02 1.0528 -2.746 H2,gas 0.3443E-03 0.2715E-02 1.0036 -2.565 H2S,gas 0.3784E-03 0.2984E-02 0.9812 -2.533 CO,gas 0.1012E-07 0.7975E-07 1.0000 -7.098 SO2,gas 0.4659E-15 0.3673E-14 1.0000 -14.435 HF,gas 0.1499E-08 0.1182E-07 1.0000 -7.927 HCl,gas 0.7292E-11 0.5749E-10 1.0000 -10.240 Hg,gas 0.2837E-09 0.2237E-08 1.0000 -8.650 clinochlore 0.9993E+00 0.9993E+00 1.0000 -0.000 daphnite 0.5523E-03 0.5523E-03 1.0000 -3.258 chlorite-Mn 0.1275E-03 0.1275E-03 1.0000 -3.894 microcline 0.1000E+01 0.1000E+01 1.0000 0.000 quartz 0.1000E+01 0.1000E+01 1.0000 0.000 bornite 0.1000E+01 0.1000E+01 1.0000 0.000 galena 0.1000E+01 0.1000E+01 1.0000 0.000 sphalerite 0.1000E+01 0.1000E+01 1.0000 0.000 Current weight percent of gas: 25.458164 % Solid products produced: Mass = 0.339358 g Volume = 0.128161 cm3 WARNING: mineral volume may be in error because some mineral densities were not supplied in SOLTHERM. See mineral list in file Skip_Species.txt. NON-Ideal mixing with H2O, CO2, CH4 Gases ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ The following gases and minerals are presently in matrix or were just added Gas or Mineral Log K Log Q Log(Q/K) Log(Q/K)/S Affinity Log Fugacity 1 H2O,gas 0.03 0.03 -0.00 -0.000 0.10608E-09 2 CO2,gas -8.04 -8.04 0.00 0.000 -0.43225E-10 3 CH4,gas 3.90 3.90 0.00 0.000 -0.99957E-10 4 H2,gas 6.01 6.01 0.00 0.000 -0.54031E-11 5 H2S,gas -7.27 -7.27 -0.00 -0.000 0.28817E-10 6 CO,gas 0.61 0.61 -0.00 -0.000 0.11256E-11 7 SO2,gas -3.01 -3.01 0.00 0.000 -0.90052E-12 8 HF,gas -2.02 -2.02 -0.00 -0.000 0.90052E-12 9 HCl,gas 2.40 2.40 0.00 0.000 -0.18010E-11 10 Hg,gas -10.79 -10.79 -0.00 -0.000 0.10806E-10 43 clinochlore 26.36 26.36 -0.00 -0.000 0.14408E-10 44 daphnite 17.66 17.66 -0.00 -0.000 0.21612E-10 45 chlorite-Mn 34.43 34.43 -0.00 -0.000 0.57633E-10 115 microcline -3.76 -3.76 -0.00 -0.000 0.14408E-10 146 quartz -2.55 -2.55 0.00 0.000 0.00000E+00 198 bornite -76.59 -76.59 -0.00 -0.000 0.28817E-10 249 galena -10.78 -10.78 0.00 0.000 -0.36021E-11 260 sphalerite -10.00 -10.00 -0.00 -0.000 0.36021E-11 The following gases and minerals are presently EXCLUDED from matrix (Gases and minerals with log(Q/K) less than -5 are not listed below) Gas or Mineral Log K Log Q Log(Q/K) Log(Q/K)/S Affinity Log Fugacity 11 acmite 6.19 1.47 -4.72 -0.491 0.95768E+04 15 albite-high -1.43 -2.86 -1.43 -0.110 0.29097E+04 16 albite -2.20 -2.86 -0.67 -0.051 0.13534E+04 20 analcite 1.06 -0.32 -1.38 -0.153 0.27907E+04 21 andalusite -0.23 -4.34 -4.12 -0.412 0.83498E+04 23 grossular 22.69 19.13 -3.56 -0.178 0.72145E+04 24 anhydrite -6.64 -11.36 -4.73 -2.363 0.95826E+04 25 ankerite -3.88 -8.18 -4.29 -0.716 0.87068E+04 27 phlogopite 19.32 17.72 -1.59 -0.089 0.32304E+04 29 anorthite 5.76 2.63 -3.13 -0.241 0.63497E+04 32 aragonite 0.00 -0.41 -0.41 -0.137 0.83481E+03 33 brucite 10.20 7.16 -3.04 -0.608 0.61684E+04 34 calcite -0.15 -0.41 -0.26 -0.085 0.52010E+03 35 carnegieite-low 5.83 2.23 -3.60 -0.514 0.72957E+04 36 carnegieite-high 6.60 2.23 -4.37 -0.624 0.88599E+04 37 carpholite-Mg 2.87 0.27 -2.60 -0.173 0.52652E+04 39 celadonite 2.66 0.85 -1.81 -0.106 0.36658E+04 41 chrysotile 18.69 16.38 -2.31 -0.192 0.46783E+04 46 chlorite-Al-free 36.94 32.77 -4.17 -0.174 0.84531E+04 47 chloritoid-Mg 6.42 2.82 -3.60 -0.240 0.73027E+04 49 chloritoid-Mn 5.29 0.54 -4.75 -0.317 0.96383E+04 51 coesite -2.02 -2.55 -0.53 -0.177 0.10750E+04 56 corundum 2.66 -1.79 -4.45 -0.405 0.90278E+04 58 cristobalite -2.24 -2.55 -0.31 -0.102 0.62066E+03 61 cymrite-K -0.14 -3.76 -3.62 -0.301 0.73321E+04 63 diaspore 0.49 -0.90 -1.39 -0.232 0.28221E+04 64 diamond -2.34 -4.84 -2.50 -0.715 0.50764E+04 65 diopside 12.64 11.59 -1.05 -0.105 0.21249E+04 66 hedenbergite 10.92 6.59 -4.33 -0.433 0.87743E+04 67 dolomite,ordered -1.57 -3.18 -1.61 -0.268 0.32631E+04 69 enstatite 13.03 9.22 -3.80 -0.380 0.77102E+04 70 clinoenstatite-HiP 13.95 9.22 -4.73 -0.473 0.95852E+04 71 clinoenstatite 12.95 9.22 -3.72 -0.372 0.75476E+04 72 protoenstatite 13.46 9.22 -4.23 -0.423 0.85871E+04 73 epidote 15.21 10.50 -4.71 -0.229 0.95598E+04 74 clinozoisite 12.22 8.71 -3.51 -0.159 0.71083E+04 78 forsterite 16.19 11.77 -4.42 -0.631 0.89536E+04 81 gibbsite 1.76 -0.90 -2.65 -0.379 0.53818E+04 82 glaucophane 14.42 10.65 -3.76 -0.102 0.76323E+04 84 goethite 4.80 0.89 -3.92 -0.847 0.79401E+04 85 graphite -2.74 -4.84 -2.10 -0.599 0.42490E+04 88 halite 1.37 -3.06 -4.43 -2.216 0.89853E+04 90 heulandite -9.19 -10.11 -0.92 -0.042 0.18736E+04 94 jadeite 1.98 -0.32 -2.29 -0.229 0.46523E+04 96 kalsilite 4.74 1.34 -3.40 -0.486 0.69017E+04 97 kaolinite -4.77 -6.89 -2.12 -0.193 0.43061E+04 98 kyanite -0.25 -4.34 -4.09 -0.409 0.83003E+04 100 laumontite -1.45 -2.46 -1.01 -0.067 0.20488E+04 101 lawsonite 4.30 2.63 -1.66 -0.111 0.33708E+04 102 leucite 1.63 -1.21 -2.84 -0.284 0.57600E+04 104 lizardite 18.25 16.38 -1.86 -0.155 0.37792E+04 105 magnesite -0.63 -2.77 -2.14 -0.713 0.43378E+04 108 minnesotaite-Mg 15.51 11.29 -4.23 -0.249 0.85741E+04 112 margarite 5.83 0.84 -4.99 -0.199 0.10111E+05 119 muscovite -3.45 -5.55 -2.11 -0.124 0.42689E+04 120 paragonite -2.19 -4.66 -2.47 -0.145 0.50051E+04 121 nepheline 5.23 2.23 -3.00 -0.428 0.60822E+04 133 phlogopite-Na 21.29 18.62 -2.67 -0.148 0.54187E+04 135 prehnite 11.69 9.61 -2.08 -0.123 0.42243E+04 136 prehnite-Fe 15.67 11.40 -4.27 -0.257 0.86608E+04 138 pumpellyite-Mg 30.16 25.48 -4.68 -0.104 0.94821E+04 141 pyrite -19.84 -21.79 -1.95 -0.458 0.39473E+04 142 pyrrhotite -4.92 -8.54 -3.61 -1.205 0.73301E+04 143 pyrrhotiteFe0.875 -6.34 -9.13 -2.78 -1.024 0.56447E+04 144 pyroxmangite 5.76 2.33 -3.43 -0.686 0.69587E+04 145 pyrophyllite -9.24 -11.99 -2.75 -0.172 0.55693E+04 151 rhodochrosite -1.74 -5.05 -3.31 -1.104 0.67180E+04 152 rhodonite 5.79 2.33 -3.46 -0.692 0.70179E+04 153 sanidine -2.74 -3.76 -1.02 -0.078 0.20687E+04 155 siderite -3.43 -7.77 -4.34 -1.447 0.88049E+04 156 sillimanite -0.03 -4.34 -4.32 -0.432 0.87510E+04 163 stilbite -9.36 -10.11 -0.75 -0.036 0.15285E+04 165 stilpnomelane-Mg 16.71 16.01 -0.70 -0.021 0.14148E+04 166 stishovite 2.40 -2.55 -4.95 -1.651 0.10044E+05 169 sulfur -8.70 -13.25 -4.55 -1.399 0.92169E+04 171 talc 12.10 11.29 -0.81 -0.048 0.16433E+04 178 topaz-H 0.07 -4.34 -4.41 -0.401 0.89406E+04 179 tridymite -2.28 -2.55 -0.27 -0.089 0.54312E+03 180 tremolite 36.47 34.46 -2.01 -0.054 0.40779E+04 182 troilite-low -5.01 -8.54 -3.53 -1.178 0.71640E+04 188 wairakite -1.17 -2.46 -1.30 -0.076 0.26306E+04 189 walstromite 9.40 6.98 -2.42 -0.485 0.49136E+04 190 wollastonite 8.52 6.98 -1.55 -0.310 0.31388E+04 191 pseudo-wollastonite 8.94 6.98 -1.96 -0.392 0.39765E+04 192 zoisite 12.26 8.71 -3.55 -0.161 0.71967E+04 193 beidellite-Ca -6.23 -9.87 -3.65 -0.226 0.73920E+04 194 beidellite-H -6.72 -11.44 -4.73 -0.302 0.95815E+04 195 beidellite-K -5.83 -9.86 -4.03 -0.247 0.81737E+04 196 beidellite-Mg -6.42 -10.26 -3.84 -0.237 0.77834E+04 197 beidellite-Na -5.73 -9.57 -3.84 -0.235 0.77776E+04 200 chalcedony -2.39 -2.55 -0.16 -0.053 0.31982E+03 201 chalcocite -23.51 -24.57 -1.06 -0.266 0.21572E+04 202 covellite -17.18 -18.91 -1.73 -0.660 0.35151E+04 204 montmorillonite-Ca -5.58 -7.76 -2.18 -0.135 0.44158E+04 205 montmorillonite-K -5.28 -7.75 -2.47 -0.151 0.50085E+04 206 montmorillonite-Mg -5.81 -8.15 -2.34 -0.144 0.47354E+04 207 montmorillonite-Na -5.13 -7.46 -2.32 -0.142 0.47094E+04 229 tobermorite 8.88 5.39 -3.50 -0.954 0.70895E+04 235 alabandite -1.95 -5.82 -3.88 -1.292 0.78624E+04 240 boehmite 1.65 -0.90 -2.55 -0.425 0.51682E+04 242 chalcopyrite -25.82 -27.45 -1.62 -0.302 0.32923E+04 245 copper,native -1.93 -5.66 -3.73 -1.296 0.75552E+04 246 dolomite,disordered -1.08 -3.18 -2.10 -0.351 0.42663E+04 248 fluorite -10.45 -12.16 -1.72 -0.572 0.34820E+04 257 silica-amorphous -1.86 -2.55 -0.69 -0.228 0.13899E+04 261 wurtzite -8.46 -10.00 -1.54 -0.514 0.31273E+04 263 an20ab80 -0.82 -1.77 -0.94 -0.072 0.19111E+04 264 an25ab75 -0.45 -1.49 -1.04 -0.080 0.21070E+04 265 an30ab70 -0.07 -1.22 -1.14 -0.088 0.23137E+04 266 tr.625ac.25prg.125 33.01 28.33 -4.68 -0.126 0.94892E+04 271 FeS-amorphous -3.65 -8.54 -4.89 -1.630 0.99139E+04 Calculations done for 170.0000 Deg. C; 7.8842 bar Enthalpies: Pure water 3.1098 kcal/mole H2O,gas 11.9702 kcal/mole CO2,gas 1.8052 kcal/mole CH4,gas 1.7529 kcal/mole Current solution 130.0041 Gas 166.5264 kcal Total current enthalpy 296.5306 kcal Starting enthalpy 296.5306 kcal Temperature changed by -2.000 degrees to 168.000 degrees C. Solids and gases carried ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ Test file for CHIM-XPT. Boil Broadlands Water Water similar to Broadlands Well No. 2 CHIMRUN demo-2a ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ Number of loops used = 10 Loop limit = 200 Temperature = 168.00 C Pressure = 7.51 bar Mixer fraction = 0.0000000 Total current enthalpy = 296.5306 KCAL Water: Moles liquid = 0.4161E+02 kg liquid = 0.7497E+00 Moles total = 0.5551E+02 kg total = 0.1000E+01 Activity = 1.0000 Stoichiometric ionic strength = .4494193E-01 Osmotic coef. = 0.9235 True ionic strength = .4384815E-01 Chg. balance for total moles = 0.2402E-07 Max. difference allowed = 0.3072E-05 Log Log Log Species(n) Molality Molality Activity Activity Gamma Gamma 1 H+ 0.77397E-07 -7.1113 0.58681E-07 -7.2315 0.75818E+00 -0.1202 2 H2O 0.99998E+00 -0.0000 0.99998E+00 -0.0000 3 Cl- 0.40283E-01 -1.3949 0.30186E-01 -1.5202 0.74936E+00 -0.1253 4 SO4-- 0.11114E-05 -5.9541 0.37893E-06 -6.4214 0.34094E+00 -0.4673 5 HCO3- 0.25852E-02 -2.5875 0.19462E-02 -2.7108 0.75281E+00 -0.1233 6 HS- 0.43544E-03 -3.3611 0.32645E-03 -3.4862 0.74972E+00 -0.1251 7 H4SiO4 0.27550E-02 -2.5599 0.27550E-02 -2.5599 0.10000E+01 0.0000 8 Al+++ 0.32663E-21 -21.4859 0.28622E-22 -22.5433 0.87629E-01 -1.0574 9 Ca++ 0.37219E-04 -4.4292 0.12452E-04 -4.9048 0.33456E+00 -0.4755 10 Mg++ 0.16876E-06 -6.7727 0.55709E-07 -7.2541 0.33011E+00 -0.4813 11 Fe++ 0.12223E-11 -11.9128 0.40482E-12 -12.3927 0.33120E+00 -0.4799 12 K+ 0.49444E-02 -2.3059 0.37262E-02 -2.4287 0.75363E+00 -0.1228 13 Na+ 0.38777E-01 -1.4114 0.29058E-01 -1.5367 0.74936E+00 -0.1253 14 Mn++ 0.83844E-09 -9.0765 0.27837E-09 -9.5554 0.33201E+00 -0.4789 15 Zn++ 0.53212E-13 -13.2740 0.17624E-13 -13.7539 0.33120E+00 -0.4799 16 Cu+ 0.86094E-14 -14.0650 0.64504E-14 -14.1904 0.74924E+00 -0.1254 17 Pb++ 0.82518E-14 -14.0835 0.27839E-14 -14.5553 0.33737E+00 -0.4719 18 Hg++ 0.11746E-36 -36.9301 0.39471E-37 -37.4037 0.33604E+00 -0.4736 19 F- 0.32045E-03 -3.4942 0.23823E-03 -3.6230 0.74341E+00 -0.1288 21 HSiO3- 0.88855E-04 -4.0513 0.66584E-04 -4.1766 0.74936E+00 -0.1253 22 Ca(HSiO3)+ 0.92238E-07 -7.0351 0.69556E-07 -7.1577 0.75409E+00 -0.1226 23 Mg(HSiO3)+ 0.39051E-09 -9.4084 0.29448E-09 -9.5309 0.75409E+00 -0.1226 24 NaHSiO3,aq 0.20412E-04 -4.6901 0.20412E-04 -4.6901 0.10000E+01 0.0000 27 HAlO2,aq 0.29824E-08 -8.5254 0.29824E-08 -8.5254 0.10000E+01 0.0000 28 AlO2- 0.74817E-06 -6.1260 0.55686E-06 -6.2543 0.74430E+00 -0.1283 29 CH4,aq 0.16922E-05 -5.7716 0.16688E-05 -5.7776 0.98616E+00 -0.0061 34 CO,aq 0.78549E-10 -10.1049 0.78549E-10 -10.1049 0.10000E+01 0.0000 35 CO2,aq 0.74756E-03 -3.1264 0.73722E-03 -3.1324 0.98616E+00 -0.0061 36 CO3-2 0.51374E-05 -5.2893 0.17414E-05 -5.7591 0.33896E+00 -0.4699 37 CaCO3,aq 0.19179E-05 -5.7172 0.19179E-05 -5.7172 0.10000E+01 0.0000 38 Ca(HCO3)+ 0.34419E-05 -5.4632 0.25955E-05 -5.5858 0.75409E+00 -0.1226 39 CaCl+ 0.36895E-05 -5.4330 0.27822E-05 -5.5556 0.75409E+00 -0.1226 40 CaCl2,aq 0.25702E-07 -7.5900 0.25702E-07 -7.5900 0.10000E+01 0.0000 41 CaF+ 0.27489E-06 -6.5608 0.20729E-06 -6.6834 0.75409E+00 -0.1226 42 CaOH+ 0.83762E-06 -6.0770 0.63164E-06 -6.1995 0.75409E+00 -0.1226 43 CaSO4,aq 0.57063E-08 -8.2436 0.57063E-08 -8.2436 0.10000E+01 0.0000 44 HCl,aq 0.70644E-09 -9.1509 0.70644E-09 -9.1509 0.10000E+01 0.0000 61 HF,aq 0.46452E-06 -6.3330 0.46452E-06 -6.3330 0.10000E+01 0.0000 62 HF2- 0.50606E-10 -10.2958 0.37922E-10 -10.4211 0.74936E+00 -0.1253 76 H2,aq 0.30622E-05 -5.5140 0.30198E-05 -5.5200 0.98616E+00 -0.0061 90 KCl,aq 0.92185E-05 -5.0353 0.92185E-05 -5.0353 0.10000E+01 0.0000 92 KOH,aq 0.30392E-06 -6.5172 0.30392E-06 -6.5172 0.10000E+01 0.0000 93 KSO4- 0.85335E-07 -7.0689 0.63946E-07 -7.1942 0.74936E+00 -0.1253 94 MgCO3,aq 0.14205E-08 -8.8475 0.14205E-08 -8.8475 0.10000E+01 0.0000 95 Mg(HCO3)+ 0.15347E-07 -7.8140 0.11573E-07 -7.9366 0.75409E+00 -0.1226 96 MgCl+ 0.10930E-07 -7.9614 0.82420E-08 -8.0840 0.75409E+00 -0.1226 97 MgF+ 0.39100E-08 -8.4078 0.29485E-08 -8.5304 0.75409E+00 -0.1226 98 MgOH+ 0.14232E-07 -7.8467 0.10732E-07 -7.9693 0.75409E+00 -0.1226 101 MnO,aq 0.24098E-10 -10.6180 0.24098E-10 -10.6180 0.10000E+01 0.0000 102 MnOH+ 0.33289E-09 -9.4777 0.25103E-09 -9.6003 0.75409E+00 -0.1226 107 MnCl+ 0.58846E-09 -9.2303 0.44375E-09 -9.3529 0.75409E+00 -0.1226 109 NaCl,aq 0.68089E-03 -3.1669 0.68089E-03 -3.1669 0.10000E+01 0.0000 110 NaF,aq 0.41191E-05 -5.3852 0.41191E-05 -5.3852 0.10000E+01 0.0000 111 NaOH,aq 0.18133E-05 -5.7415 0.18133E-05 -5.7415 0.10000E+01 0.0000 113 OH- 0.76293E-04 -4.1175 0.56785E-04 -4.2458 0.74430E+00 -0.1283 124 Pb(HS)2,aq 0.78400E-09 -9.1057 0.78400E-09 -9.1057 0.10000E+01 0.0000 126 H2S,aq 0.81537E-04 -4.0886 0.80409E-04 -4.0947 0.98616E+00 -0.0061 127 S2-2 0.81111E-10 -10.0909 0.27494E-10 -10.5608 0.33896E+00 -0.4699 135 HSO4- 0.28618E-09 -9.5434 0.21634E-09 -9.6649 0.75593E+00 -0.1215 154 ZnOH+ 0.94207E-10 -10.0259 0.71040E-10 -10.1485 0.75409E+00 -0.1226 164 Cu(HS)2- 0.29598E-07 -7.5287 0.22180E-07 -7.6540 0.74936E+00 -0.1253 166 CuH4S3-b 0.36718E-09 -9.4351 0.27515E-09 -9.5604 0.74936E+00 -0.1253 179 MgSO4,aq 0.99441E-10 -10.0024 0.99441E-10 -10.0024 0.10000E+01 0.0000 180 MnCl2,aq 0.84277E-10 -10.0743 0.84277E-10 -10.0743 0.10000E+01 0.0000 181 MnCl3- 0.11751E-10 -10.9299 0.88060E-11 -11.0552 0.74936E+00 -0.1253 182 MnCO3,aq 0.17577E-08 -8.7550 0.17577E-08 -8.7550 0.10000E+01 0.0000 183 NaCO3- 0.19146E-05 -5.7179 0.14347E-05 -5.8432 0.74936E+00 -0.1253 184 NaHCO3,aq 0.34424E-04 -4.4631 0.34424E-04 -4.4631 0.10000E+01 0.0000 185 NaHS,aq 0.57743E-05 -5.2385 0.57743E-05 -5.2385 0.10000E+01 0.0000 186 NaSO4- 0.23260E-06 -6.6334 0.17430E-06 -6.7587 0.74936E+00 -0.1253 187 PbCO3,aq 0.13405E-09 -9.8727 0.13405E-09 -9.8727 0.10000E+01 0.0000 193 Zn(HS)2,aq 0.52556E-08 -8.2794 0.52556E-08 -8.2794 0.10000E+01 0.0000 194 Zn(HS)3- 0.16248E-09 -9.7892 0.12176E-09 -9.9145 0.74936E+00 -0.1253 Charge balance for all species = 0.3204E-07 Component Molality Aq.molality ppm log[A(N)/A(H+)**Z] (total) 1 H+ 0.7739683E-07 0.6282816E-03 0.6313466E+00 -0.0000 2 H2O 0.1000000E+01 0.5550748E+02 0.9969465E+06 0.0000 3 Cl- 0.4028272E-01 0.4097659E-01 0.1448330E+04 5.7113 4 SO4-- 0.1111412E-05 -.1022285E-05 -.9790400E-01 8.0416 5 HCO3- 0.2585226E-02 0.3381336E-02 0.2056930E+03 4.5207 6 HS- 0.4354370E-03 0.5252789E-03 0.1731926E+02 3.7453 7 H4SiO4 0.2754988E-02 0.2864347E-02 0.2744717E+03 -2.5599 8 Al+++ 0.3266313E-21 0.7511519E-06 0.2020564E-01 -0.8488 9 Ca++ 0.3721885E-04 0.4750430E-04 0.1898095E+01 9.5582 10 Mg++ 0.1687555E-06 0.2150842E-06 0.5213244E-02 7.2089 11 Fe++ 0.1222297E-11 0.7708428E-11 0.4291850E-06 2.0703 12 K+ 0.4944423E-02 0.4954031E-02 0.1931241E+03 4.8028 13 Na+ 0.3877687E-01 0.3952645E-01 0.9059451E+03 5.6948 14 Mn++ 0.8384444E-09 0.3643243E-08 0.1995445E-03 4.9076 15 Zn++ 0.5321242E-13 0.5521366E-08 0.3598354E-03 0.7091 16 Cu+ 0.8609369E-14 0.2996772E-07 0.1898365E-02 -6.9589 17 Pb++ 0.8251796E-14 0.9309200E-09 0.1922915E-03 -0.0923 18 Hg++ 0.1174596E-36 0.8280372E-11 0.1655915E-05 -22.9407 19 F- 0.3204543E-03 0.3253168E-03 0.6161597E+01 3.6085 Component Tot moles Aq. moles Solid moles Gas moles 1 H+ 0.1822172E+00 0.4710230E-03 -.6925619E-05 0.1817531E+00 2 H2O 0.5550825E+02 0.4161398E+02 -.1141239E-01 0.1390568E+02 3 Cl- 0.3072017E-01 0.3072017E-01 0.0000000E+00 0.9466334E-10 4 SO4-- -.4257700E-02 -.7664072E-06 0.9976821E-09 -.4256935E-02 5 HCO3- 0.1832100E+00 0.2534990E-02 0.0000000E+00 0.1806750E+00 6 HS- 0.9985820E-02 0.3938018E-03 0.5249086E-07 0.9591965E-02 7 H4SiO4 0.7855346E-02 0.2147403E-02 0.5707943E-02 0.0000000E+00 8 Al+++ 0.2253680E-05 0.5631389E-06 0.1690541E-05 0.0000000E+00 9 Ca++ 0.3561400E-04 0.3561400E-04 0.0000000E+00 0.0000000E+00 10 Mg++ 0.2355503E-06 0.1612487E-06 0.7430155E-07 0.0000000E+00 11 Fe++ 0.8017372E-08 0.5779012E-11 0.8011593E-08 0.0000000E+00 12 K+ 0.3715700E-02 0.3714039E-02 0.1660805E-05 0.0000000E+00 13 Na+ 0.2963300E-01 0.2963300E-01 0.0000000E+00 0.0000000E+00 14 Mn++ 0.2740424E-08 0.2731341E-08 0.9082574E-11 0.0000000E+00 15 Zn++ 0.1530000E-07 0.4139371E-08 0.1116063E-07 0.0000000E+00 16 Cu+ 0.6237410E-07 0.2246682E-07 0.3990728E-07 0.0000000E+00 17 Pb++ 0.1110000E-07 0.6979112E-09 0.1040209E-07 0.0000000E+00 18 Hg++ 0.4000000E-08 0.6207799E-11 0.0000000E+00 0.3993792E-08 19 F- 0.2439100E-03 0.2438902E-03 0.0000000E+00 0.1980982E-07 Chg. balance for solid moles: -.6411E-17 Mass of aqueous solution: 0.751985E+03 g Temperature = 168.00 C Pressure = 7.51 bar Mixer frac. = 0.0000000 Log Log Vol Gas or mineral Moles Moles Grams Grams Wt.% (cm3) H2O,gas 14.08 1.148 253.5 2.404 96.92 0.6475E+05 CO2,gas 0.1776 -0.751 7.817 0.893 2.989 888.2 CH4,gas 0.3061E-02 -2.514 0.4909E-01 -1.309 0.1877E-01 15.74 H2,gas 0.4785E-02 -2.320 0.9666E-02 -2.015 0.3695E-02 23.45 H2S,gas 0.5335E-02 -2.273 0.1818 -0.740 0.6951E-01 25.58 CO,gas 0.1317E-06 -6.880 0.3689E-05 -5.433 0.1410E-05 0.6432E-03 SO2,gas 0.5790E-14 -14.237 0.3709E-12 -12.431 0.1418E-12 0.2828E-10 HF,gas 0.1981E-07 -7.703 0.3962E-06 -6.402 0.1515E-06 0.9675E-04 HCl,gas 0.9466E-10 -10.024 0.3451E-08 -8.462 0.1320E-08 0.4623E-06 Hg,gas 0.3994E-08 -8.399 0.8011E-06 -6.096 0.3063E-06 0.1951E-04 clinochlore 0.1486E-07 -7.828 0.8260E-05 -5.083 0.2407E-02 0.3142E-05 daphnite 0.6027E-11 -11.220 0.4300E-08 -8.366 0.1253E-05 0.1303E-08 chlorite-Mn 0.1817E-11 -11.741 0.1288E-08 -8.890 0.3753E-06 0.4104E-09 microcline 0.1661E-05 -5.780 0.4623E-03 -3.335 0.1347 0.1806E-03 quartz 0.5703E-02 -2.244 0.3426 -0.465 99.86 0.1294 bornite 0.7981E-08 -8.098 0.4005E-05 -5.397 0.1167E-02 0.7879E-06 galena 0.1040E-07 -7.983 0.2489E-05 -5.604 0.7253E-03 0.3275E-06 sphalerite 0.1116E-07 -7.952 0.1087E-05 -5.964 0.3169E-03 0.2659E-06 Partial press. Fugacity coef Log fugacity Gas or Mineral Mole fraction or activity Activity coef Log activity H2O,gas 0.9866E+00 0.7410E+01 0.9452 0.845 CO2,gas 0.1245E-01 0.9350E-01 1.0184 -1.021 CH4,gas 0.2145E-03 0.1611E-02 1.0511 -2.771 H2,gas 0.3354E-03 0.2519E-02 1.0034 -2.597 H2S,gas 0.3740E-03 0.2809E-02 0.9818 -2.559 CO,gas 0.9231E-08 0.6933E-07 1.0000 -7.159 SO2,gas 0.4058E-15 0.3048E-14 1.0000 -14.516 HF,gas 0.1389E-08 0.1043E-07 1.0000 -7.982 HCl,gas 0.6635E-11 0.4983E-10 1.0000 -10.302 Hg,gas 0.2799E-09 0.2102E-08 1.0000 -8.677 clinochlore 0.9995E+00 0.9995E+00 1.0000 -0.000 daphnite 0.4054E-03 0.4054E-03 1.0000 -3.392 chlorite-Mn 0.1222E-03 0.1222E-03 1.0000 -3.913 microcline 0.1000E+01 0.1000E+01 1.0000 0.000 quartz 0.1000E+01 0.1000E+01 1.0000 0.000 bornite 0.1000E+01 0.1000E+01 1.0000 0.000 galena 0.1000E+01 0.1000E+01 1.0000 0.000 sphalerite 0.1000E+01 0.1000E+01 1.0000 0.000 Current weight percent of gas: 25.797453 % Solid products produced: Mass = 0.343109 g Volume = 0.129578 cm3 WARNING: mineral volume may be in error because some mineral densities were not supplied in SOLTHERM. See mineral list in file Skip_Species.txt. NON-Ideal mixing with H2O, CO2, CH4 Gases ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ The following gases and minerals are presently in matrix or were just added Gas or Mineral Log K Log Q Log(Q/K) Log(Q/K)/S Affinity Log Fugacity 1 H2O,gas 0.03 0.03 -0.00 -0.000 0.76100E-10 2 CO2,gas -8.05 -8.05 0.00 0.000 -0.32272E-10 3 CH4,gas 3.87 3.87 0.00 0.000 -0.68130E-10 4 H2,gas 6.01 6.01 0.00 0.000 -0.35858E-11 5 H2S,gas -7.28 -7.28 -0.00 -0.000 0.26894E-10 6 CO,gas 0.63 0.63 0.00 0.000 -0.67234E-12 7 SO2,gas -2.95 -2.95 0.00 0.000 -0.17929E-11 8 HF,gas -2.00 -2.00 -0.00 -0.000 0.89645E-12 9 HCl,gas 2.43 2.43 0.00 0.000 -0.89645E-12 10 Hg,gas -10.85 -10.85 -0.00 -0.000 0.35858E-11 43 clinochlore 26.67 26.67 0.00 0.000 -0.28686E-10 44 daphnite 17.93 17.93 0.00 0.000 0.00000E+00 45 chlorite-Mn 34.73 34.73 0.00 0.000 0.00000E+00 115 microcline -3.73 -3.73 0.00 0.000 -0.62752E-11 146 quartz -2.56 -2.56 -0.00 -0.000 0.89645E-12 198 bornite -76.87 -76.87 -0.00 -0.000 0.86059E-10 249 galena -10.81 -10.81 -0.00 -0.000 0.71716E-11 260 sphalerite -10.01 -10.01 -0.00 -0.000 0.35858E-11 The following gases and minerals are presently EXCLUDED from matrix (Gases and minerals with log(Q/K) less than -5 are not listed below) Gas or Mineral Log K Log Q Log(Q/K) Log(Q/K)/S Affinity Log Fugacity 11 acmite 6.23 1.37 -4.85 -0.504 0.97993E+04 15 albite-high -1.38 -2.83 -1.45 -0.112 0.29365E+04 16 albite -2.15 -2.83 -0.68 -0.052 0.13720E+04 20 analcite 1.11 -0.27 -1.39 -0.154 0.28019E+04 21 andalusite -0.10 -4.26 -4.16 -0.416 0.83997E+04 23 grossular 22.94 19.30 -3.64 -0.182 0.73489E+04 24 anhydrite -6.60 -11.33 -4.73 -2.364 0.95435E+04 25 ankerite -3.83 -8.26 -4.42 -0.737 0.89249E+04 27 phlogopite 19.50 17.90 -1.60 -0.089 0.32361E+04 29 anorthite 5.93 2.74 -3.19 -0.246 0.64473E+04 32 aragonite 0.03 -0.38 -0.42 -0.138 0.83776E+03 33 brucite 10.26 7.21 -3.05 -0.610 0.61566E+04 34 calcite -0.12 -0.38 -0.26 -0.087 0.52431E+03 35 carnegieite-low 5.91 2.29 -3.62 -0.517 0.73117E+04 36 carnegieite-high 6.69 2.29 -4.40 -0.629 0.88831E+04 37 carpholite-Mg 3.00 0.39 -2.61 -0.174 0.52744E+04 39 celadonite 2.73 0.92 -1.80 -0.106 0.36413E+04 41 chrysotile 18.81 16.51 -2.31 -0.192 0.46570E+04 46 chlorite-Al-free 37.18 33.01 -4.16 -0.174 0.84060E+04 47 chloritoid-Mg 6.58 2.95 -3.63 -0.242 0.73336E+04 49 chloritoid-Mn 5.44 0.65 -4.79 -0.319 0.96664E+04 51 coesite -2.03 -2.56 -0.53 -0.177 0.10744E+04 56 corundum 2.80 -1.70 -4.50 -0.409 0.90774E+04 58 cristobalite -2.25 -2.56 -0.31 -0.103 0.62367E+03 61 cymrite-K -0.10 -3.73 -3.63 -0.302 0.73254E+04 63 diaspore 0.55 -0.85 -1.40 -0.234 0.28305E+04 64 diamond -2.35 -4.86 -2.51 -0.716 0.50597E+04 65 diopside 12.72 11.65 -1.07 -0.107 0.21669E+04 66 hedenbergite 11.00 6.51 -4.49 -0.449 0.90589E+04 67 dolomite,ordered -1.51 -3.12 -1.60 -0.267 0.32387E+04 69 enstatite 13.13 9.30 -3.83 -0.383 0.77290E+04 70 clinoenstatite-HiP 14.06 9.30 -4.76 -0.476 0.96035E+04 71 clinoenstatite 13.05 9.30 -3.75 -0.375 0.75662E+04 72 protoenstatite 13.56 9.30 -4.26 -0.426 0.86080E+04 73 epidote 15.44 10.54 -4.91 -0.238 0.99031E+04 74 clinozoisite 12.48 8.89 -3.59 -0.163 0.72409E+04 78 forsterite 16.30 11.86 -4.45 -0.635 0.89735E+04 81 gibbsite 1.81 -0.85 -2.66 -0.380 0.53742E+04 82 glaucophane 14.62 10.84 -3.78 -0.102 0.76362E+04 84 goethite 4.84 0.80 -4.04 -0.874 0.81644E+04 85 graphite -2.76 -4.86 -2.10 -0.599 0.42343E+04 88 halite 1.38 -3.06 -4.43 -2.217 0.89496E+04 90 heulandite -9.11 -10.06 -0.95 -0.043 0.19186E+04 94 jadeite 2.03 -0.27 -2.31 -0.231 0.46559E+04 96 kalsilite 4.81 1.39 -3.42 -0.489 0.69039E+04 97 kaolinite -4.68 -6.82 -2.13 -0.194 0.43054E+04 98 kyanite -0.12 -4.26 -4.13 -0.413 0.83459E+04 100 laumontite -1.35 -2.38 -1.03 -0.069 0.20783E+04 101 lawsonite 4.43 2.74 -1.69 -0.112 0.34015E+04 102 leucite 1.69 -1.17 -2.86 -0.286 0.57714E+04 104 lizardite 18.37 16.51 -1.86 -0.155 0.37518E+04 105 magnesite -0.60 -2.73 -2.14 -0.712 0.43105E+04 108 minnesotaite-Mg 15.63 11.39 -4.25 -0.250 0.85739E+04 119 muscovite -3.30 -5.42 -2.13 -0.125 0.42924E+04 120 paragonite -2.03 -4.53 -2.50 -0.147 0.50432E+04 121 nepheline 5.31 2.29 -3.02 -0.432 0.60993E+04 133 phlogopite-Na 21.49 18.79 -2.70 -0.150 0.54423E+04 135 prehnite 11.88 9.74 -2.14 -0.126 0.43220E+04 136 prehnite-Fe 15.83 11.39 -4.45 -0.267 0.89735E+04 138 pumpellyite-Mg 30.62 25.84 -4.78 -0.106 0.96494E+04 141 pyrite -19.86 -21.91 -2.04 -0.481 0.41224E+04 142 pyrrhotite -4.90 -8.65 -3.74 -1.248 0.75575E+04 143 pyrrhotiteFe0.875 -6.33 -9.22 -2.89 -1.064 0.58391E+04 144 pyroxmangite 5.80 2.35 -3.45 -0.691 0.69706E+04 145 pyrophyllite -9.17 -11.94 -2.77 -0.173 0.55905E+04 151 rhodochrosite -1.72 -5.03 -3.32 -1.105 0.66927E+04 152 rhodonite 5.83 2.35 -3.48 -0.697 0.70306E+04 153 sanidine -2.70 -3.73 -1.02 -0.079 0.20685E+04 155 siderite -3.40 -7.87 -4.47 -1.489 0.90175E+04 156 sillimanite 0.10 -4.26 -4.36 -0.436 0.88022E+04 163 stilbite -9.32 -10.06 -0.74 -0.035 0.15001E+04 165 stilpnomelane-Mg 16.96 16.27 -0.69 -0.021 0.14027E+04 166 stishovite 2.41 -2.56 -4.97 -1.657 0.10036E+05 169 sulfur -8.71 -13.26 -4.55 -1.400 0.91863E+04 171 talc 12.20 11.39 -0.81 -0.048 0.16407E+04 178 topaz-H 0.18 -4.26 -4.44 -0.403 0.89545E+04 179 tridymite -2.29 -2.56 -0.27 -0.090 0.54543E+03 180 tremolite 36.74 34.68 -2.06 -0.056 0.41634E+04 182 troilite-low -4.99 -8.65 -3.66 -1.220 0.73888E+04 188 wairakite -1.04 -2.38 -1.34 -0.079 0.26966E+04 189 walstromite 9.45 7.00 -2.45 -0.490 0.49495E+04 190 wollastonite 8.57 7.00 -1.57 -0.315 0.31743E+04 191 pseudo-wollastonite 8.99 7.00 -1.99 -0.398 0.40141E+04 192 zoisite 12.52 8.89 -3.63 -0.165 0.73292E+04 193 beidellite-Ca -6.11 -9.80 -3.68 -0.228 0.74296E+04 194 beidellite-H -6.61 -11.37 -4.76 -0.304 0.96106E+04 195 beidellite-K -5.73 -9.79 -4.06 -0.249 0.81950E+04 196 beidellite-Mg -6.31 -10.18 -3.87 -0.240 0.78166E+04 197 beidellite-Na -5.63 -9.49 -3.87 -0.237 0.78040E+04 200 chalcedony -2.40 -2.56 -0.16 -0.053 0.31979E+03 201 chalcocite -23.61 -24.64 -1.03 -0.257 0.20734E+04 202 covellite -17.24 -18.95 -1.71 -0.651 0.34508E+04 204 montmorillonite-Ca -5.50 -7.70 -2.20 -0.136 0.44408E+04 205 montmorillonite-K -5.21 -7.69 -2.49 -0.152 0.50196E+04 206 montmorillonite-Mg -5.73 -8.09 -2.36 -0.146 0.47559E+04 207 montmorillonite-Na -5.06 -7.40 -2.34 -0.143 0.47233E+04 229 tobermorite 8.90 5.40 -3.50 -0.955 0.70681E+04 235 alabandite -1.92 -5.81 -3.89 -1.298 0.78578E+04 240 boehmite 1.72 -0.85 -2.57 -0.428 0.51841E+04 242 chalcopyrite -25.88 -27.59 -1.71 -0.319 0.34559E+04 245 copper,native -1.96 -5.69 -3.73 -1.296 0.75207E+04 246 dolomite,disordered -1.01 -3.12 -2.10 -0.351 0.42477E+04 248 fluorite -10.43 -12.15 -1.72 -0.575 0.34807E+04 257 silica-amorphous -1.87 -2.56 -0.69 -0.230 0.13939E+04 261 wurtzite -8.46 -10.01 -1.55 -0.516 0.31274E+04 263 an20ab80 -0.75 -1.72 -0.96 -0.074 0.19476E+04 264 an25ab75 -0.38 -1.44 -1.06 -0.082 0.21475E+04 265 an30ab70 0.01 -1.16 -1.17 -0.090 0.23585E+04 266 tr.625ac.25prg.125 33.30 28.39 -4.91 -0.132 0.99104E+04 Calculations done for 168.0000 Deg. C; 7.5102 bar Enthalpies: Pure water 3.0719 kcal/mole H2O,gas 11.9622 kcal/mole CO2,gas 1.7748 kcal/mole CH4,gas 1.7232 kcal/mole Current solution 127.8371 Gas 168.6935 kcal Total current enthalpy 296.5306 kcal Starting enthalpy 296.5306 kcal Temperature changed by -2.000 degrees to 166.000 degrees C. Solids and gases carried ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ Test file for CHIM-XPT. Boil Broadlands Water Water similar to Broadlands Well No. 2 CHIMRUN demo-2a ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ Number of loops used = 9 Loop limit = 200 Temperature = 166.00 C Pressure = 7.15 bar Mixer fraction = 0.0000000 Total current enthalpy = 296.5306 KCAL Water: Moles liquid = 0.4142E+02 kg liquid = 0.7463E+00 Moles total = 0.5551E+02 kg total = 0.1000E+01 Activity = 1.0000 Stoichiometric ionic strength = .4512133E-01 Osmotic coef. = 0.9239 True ionic strength = .4406432E-01 Chg. balance for total moles = 0.2402E-07 Max. difference allowed = 0.3072E-05 Log Log Log Species(n) Molality Molality Activity Activity Gamma Gamma 1 H+ 0.74985E-07 -7.1250 0.56920E-07 -7.2447 0.75908E+00 -0.1197 2 H2O 0.99999E+00 -0.0000 0.99999E+00 -0.0000 3 Cl- 0.40481E-01 -1.3927 0.30371E-01 -1.5175 0.75026E+00 -0.1248 4 SO4-- 0.11873E-05 -5.9254 0.40665E-06 -6.3908 0.34250E+00 -0.4653 5 HCO3- 0.26040E-02 -2.5844 0.19626E-02 -2.7072 0.75369E+00 -0.1228 6 HS- 0.43161E-03 -3.3649 0.32397E-03 -3.4895 0.75062E+00 -0.1246 7 H4SiO4 0.26858E-02 -2.5709 0.26858E-02 -2.5709 0.10000E+01 0.0000 8 Al+++ 0.32987E-21 -21.4817 0.29211E-22 -22.5345 0.88554E-01 -1.0528 9 Ca++ 0.37644E-04 -4.4243 0.12653E-04 -4.8978 0.33613E+00 -0.4735 10 Mg++ 0.17688E-06 -6.7523 0.58671E-07 -7.2316 0.33170E+00 -0.4793 11 Fe++ 0.91798E-12 -12.0372 0.30548E-12 -12.5150 0.33278E+00 -0.4778 12 K+ 0.49674E-02 -2.3039 0.37478E-02 -2.4262 0.75449E+00 -0.1223 13 Na+ 0.38969E-01 -1.4093 0.29236E-01 -1.5341 0.75026E+00 -0.1248 14 Mn++ 0.83812E-09 -9.0767 0.27958E-09 -9.5535 0.33358E+00 -0.4768 15 Zn++ 0.51207E-13 -13.2907 0.17040E-13 -13.7685 0.33278E+00 -0.4778 16 Cu+ 0.78835E-14 -14.1033 0.59137E-14 -14.2281 0.75014E+00 -0.1249 17 Pb++ 0.75172E-14 -14.1239 0.25478E-14 -14.5938 0.33893E+00 -0.4699 18 Hg++ 0.96349E-37 -37.0162 0.32527E-37 -37.4878 0.33760E+00 -0.4716 19 F- 0.32206E-03 -3.4921 0.23974E-03 -3.6203 0.74439E+00 -0.1282 21 HSiO3- 0.89093E-04 -4.0502 0.66844E-04 -4.1749 0.75026E+00 -0.1248 22 Ca(HSiO3)+ 0.89985E-07 -7.0458 0.67934E-07 -7.1679 0.75495E+00 -0.1221 23 Mg(HSiO3)+ 0.39799E-09 -9.4001 0.30046E-09 -9.5222 0.75495E+00 -0.1221 24 NaHSiO3,aq 0.20712E-04 -4.6838 0.20712E-04 -4.6838 0.10000E+01 0.0000 27 HAlO2,aq 0.28386E-08 -8.5469 0.28386E-08 -8.5469 0.10000E+01 0.0000 28 AlO2- 0.70360E-06 -6.1527 0.52437E-06 -6.2804 0.74526E+00 -0.1277 29 CH4,aq 0.15724E-05 -5.8034 0.15505E-05 -5.8095 0.98612E+00 -0.0061 34 CO,aq 0.66890E-10 -10.1746 0.66890E-10 -10.1746 0.10000E+01 0.0000 35 CO2,aq 0.70240E-03 -3.1534 0.69265E-03 -3.1595 0.98612E+00 -0.0061 36 CO3-2 0.54380E-05 -5.2646 0.18518E-05 -5.7324 0.34053E+00 -0.4679 37 CaCO3,aq 0.19467E-05 -5.7107 0.19467E-05 -5.7107 0.10000E+01 0.0000 38 Ca(HCO3)+ 0.33579E-05 -5.4739 0.25351E-05 -5.5960 0.75495E+00 -0.1221 39 CaCl+ 0.35872E-05 -5.4452 0.27082E-05 -5.5673 0.75495E+00 -0.1221 40 CaCl2,aq 0.24800E-07 -7.6055 0.24800E-07 -7.6055 0.10000E+01 0.0000 41 CaF+ 0.26681E-06 -6.5738 0.20143E-06 -6.6959 0.75495E+00 -0.1221 42 CaOH+ 0.79905E-06 -6.0974 0.60324E-06 -6.2195 0.75495E+00 -0.1221 43 CaSO4,aq 0.59430E-08 -8.2260 0.59430E-08 -8.2260 0.10000E+01 0.0000 44 HCl,aq 0.66739E-09 -9.1756 0.66739E-09 -9.1756 0.10000E+01 0.0000 61 HF,aq 0.43243E-06 -6.3641 0.43243E-06 -6.3641 0.10000E+01 0.0000 62 HF2- 0.47458E-10 -10.3237 0.35606E-10 -10.4485 0.75026E+00 -0.1248 76 H2,aq 0.27960E-05 -5.5535 0.27572E-05 -5.5595 0.98612E+00 -0.0061 90 KCl,aq 0.89355E-05 -5.0489 0.89355E-05 -5.0489 0.10000E+01 0.0000 92 KOH,aq 0.29816E-06 -6.5256 0.29816E-06 -6.5256 0.10000E+01 0.0000 93 KSO4- 0.88779E-07 -7.0517 0.66607E-07 -7.1765 0.75026E+00 -0.1248 94 MgCO3,aq 0.15114E-08 -8.8206 0.15114E-08 -8.8206 0.10000E+01 0.0000 95 Mg(HCO3)+ 0.15542E-07 -7.8085 0.11734E-07 -7.9306 0.75495E+00 -0.1221 96 MgCl+ 0.11109E-07 -7.9543 0.83867E-08 -8.0764 0.75495E+00 -0.1221 97 MgF+ 0.39499E-08 -8.4034 0.29820E-08 -8.5255 0.75495E+00 -0.1221 98 MgOH+ 0.14176E-07 -7.8485 0.10702E-07 -7.9705 0.75495E+00 -0.1221 101 MnO,aq 0.22363E-10 -10.6505 0.22363E-10 -10.6505 0.10000E+01 0.0000 102 MnOH+ 0.32048E-09 -9.4942 0.24195E-09 -9.6163 0.75495E+00 -0.1221 107 MnCl+ 0.55660E-09 -9.2545 0.42021E-09 -9.3765 0.75495E+00 -0.1221 109 NaCl,aq 0.67075E-03 -3.1734 0.67075E-03 -3.1734 0.10000E+01 0.0000 110 NaF,aq 0.40494E-05 -5.3926 0.40494E-05 -5.3926 0.10000E+01 0.0000 111 NaOH,aq 0.17902E-05 -5.7471 0.17902E-05 -5.7471 0.10000E+01 0.0000 113 OH- 0.75826E-04 -4.1202 0.56510E-04 -4.2479 0.74526E+00 -0.1277 124 Pb(HS)2,aq 0.71139E-09 -9.1479 0.71139E-09 -9.1479 0.10000E+01 0.0000 126 H2S,aq 0.76925E-04 -4.1139 0.75857E-04 -4.1200 0.98612E+00 -0.0061 127 S2-2 0.79203E-10 -10.1013 0.26971E-10 -10.5691 0.34053E+00 -0.4679 135 HSO4- 0.27795E-09 -9.5560 0.21035E-09 -9.6771 0.75679E+00 -0.1210 154 ZnOH+ 0.85593E-10 -10.0676 0.64619E-10 -10.1896 0.75495E+00 -0.1221 164 Cu(HS)2- 0.29631E-07 -7.5283 0.22231E-07 -7.6530 0.75026E+00 -0.1248 166 CuH4S3-b 0.39531E-09 -9.4031 0.29658E-09 -9.5279 0.75026E+00 -0.1248 179 MgSO4,aq 0.10743E-09 -9.9689 0.10743E-09 -9.9689 0.10000E+01 0.0000 180 MnCl2,aq 0.77163E-10 -10.1126 0.77163E-10 -10.1126 0.10000E+01 0.0000 181 MnCl3- 0.10634E-10 -10.9733 0.79779E-11 -11.0981 0.75026E+00 -0.1248 182 MnCO3,aq 0.18306E-08 -8.7374 0.18306E-08 -8.7374 0.10000E+01 0.0000 183 NaCO3- 0.19961E-05 -5.6998 0.14976E-05 -5.8246 0.75026E+00 -0.1248 184 NaHCO3,aq 0.33749E-04 -4.4717 0.33749E-04 -4.4717 0.10000E+01 0.0000 185 NaHS,aq 0.55711E-05 -5.2541 0.55711E-05 -5.2541 0.10000E+01 0.0000 186 NaSO4- 0.24558E-06 -6.6098 0.18425E-06 -6.7346 0.75026E+00 -0.1248 187 PbCO3,aq 0.12572E-09 -9.9006 0.12572E-09 -9.9006 0.10000E+01 0.0000 193 Zn(HS)2,aq 0.47777E-08 -8.3208 0.47777E-08 -8.3208 0.10000E+01 0.0000 194 Zn(HS)3- 0.14869E-09 -9.8277 0.11155E-09 -9.9525 0.75026E+00 -0.1248 Charge balance for all species = 0.3219E-07 Component Molality Aq.molality ppm log[A(N)/A(H+)**Z] (total) 1 H+ 0.7498518E-07 0.5783077E-03 0.5811267E+00 -0.0000 2 H2O 0.1000000E+01 0.5550752E+02 0.9969433E+06 0.0000 3 Cl- 0.4048098E-01 0.4116432E-01 0.1454960E+04 5.7272 4 SO4-- 0.1187282E-05 -.7433933E-06 -.7119436E-01 8.0987 5 HCO3- 0.2603982E-02 0.3354465E-02 0.2040575E+03 4.5376 6 HS- 0.4316059E-03 0.5164456E-03 0.1702794E+02 3.7552 7 H4SiO4 0.2685783E-02 0.2795679E-02 0.2678906E+03 -2.5709 8 Al+++ 0.3298688E-21 0.7064386E-06 0.1900280E-01 -0.8002 9 Ca++ 0.3764351E-04 0.4772194E-04 0.1906783E+01 9.5917 10 Mg++ 0.1768793E-06 0.2236728E-06 0.5421395E-02 7.2579 11 Fe++ 0.9179793E-12 0.5567584E-11 0.3099872E-06 1.9745 12 K+ 0.4967353E-02 0.4976676E-02 0.1940061E+03 4.8185 13 Na+ 0.3896867E-01 0.3970754E-01 0.9100920E+03 5.7107 14 Mn++ 0.8381225E-09 0.3661357E-08 0.2005359E-03 4.9360 15 Zn++ 0.5120675E-13 0.5020113E-08 0.3271667E-03 0.7210 16 Cu+ 0.7883451E-14 0.3002784E-07 0.1902166E-02 -6.9834 17 Pb++ 0.7517151E-14 0.8486036E-09 0.1752874E-03 -0.1044 18 Hg++ 0.9634901E-37 0.7784781E-11 0.1556800E-05 -22.9983 19 F- 0.3220562E-03 0.3268089E-03 0.6189832E+01 3.6245 Component Tot moles Aq. moles Solid moles Gas moles 1 H+ 0.1822172E+00 0.4315803E-03 -.7060761E-05 0.1817927E+00 2 H2O 0.5550825E+02 0.4142424E+02 -.1153441E-01 0.1409555E+02 3 Cl- 0.3072017E-01 0.3072017E-01 0.0000000E+00 0.8723031E-10 4 SO4-- -.4257700E-02 -.5547806E-06 0.9991220E-09 -.4257146E-02 5 HCO3- 0.1832100E+00 0.2503375E-02 0.0000000E+00 0.1807066E+00 6 HS- 0.9985820E-02 0.3854138E-03 0.5299307E-07 0.9600353E-02 7 H4SiO4 0.7855346E-02 0.2086364E-02 0.5768982E-02 0.0000000E+00 8 Al+++ 0.2253680E-05 0.5272020E-06 0.1726478E-05 0.0000000E+00 9 Ca++ 0.3561400E-04 0.3561400E-04 0.0000000E+00 0.0000000E+00 10 Mg++ 0.2355503E-06 0.1669229E-06 0.6862740E-07 0.0000000E+00 11 Fe++ 0.8017372E-08 0.4154985E-11 0.8013217E-08 0.0000000E+00 12 K+ 0.3715700E-02 0.3714001E-02 0.1699016E-05 0.0000000E+00 13 Na+ 0.2963300E-01 0.2963300E-01 0.0000000E+00 0.0000000E+00 14 Mn++ 0.2740424E-08 0.2732403E-08 0.8020590E-11 0.0000000E+00 15 Zn++ 0.1530000E-07 0.3746417E-08 0.1155358E-07 0.0000000E+00 16 Cu+ 0.6237410E-07 0.2240922E-07 0.3996488E-07 0.0000000E+00 17 Pb++ 0.1110000E-07 0.6332971E-09 0.1046670E-07 0.0000000E+00 18 Hg++ 0.4000000E-08 0.5809638E-11 0.0000000E+00 0.3994190E-08 19 F- 0.2439100E-03 0.2438914E-03 0.0000000E+00 0.1858627E-07 Chg. balance for solid moles: -.4459E-17 Mass of aqueous solution: 0.748558E+03 g Temperature = 166.00 C Pressure = 7.15 bar Mixer frac. = 0.0000000 Log Log Vol Gas or mineral Moles Moles Grams Grams Wt.% (cm3) H2O,gas 14.27 1.154 256.9 2.410 96.96 0.6876E+05 CO2,gas 0.1776 -0.750 7.817 0.893 2.950 928.3 CH4,gas 0.3077E-02 -2.512 0.4935E-01 -1.307 0.1862E-01 16.52 H2,gas 0.4722E-02 -2.326 0.9538E-02 -2.021 0.3600E-02 24.19 H2S,gas 0.5343E-02 -2.272 0.1821 -0.740 0.6872E-01 26.81 CO,gas 0.1217E-06 -6.915 0.3410E-05 -5.467 0.1287E-05 0.6216E-03 SO2,gas 0.5104E-14 -14.292 0.3270E-12 -12.485 0.1234E-12 0.2607E-10 HF,gas 0.1859E-07 -7.731 0.3717E-06 -6.430 0.1403E-06 0.9492E-04 HCl,gas 0.8723E-10 -10.059 0.3180E-08 -8.498 0.1200E-08 0.4455E-06 Hg,gas 0.3994E-08 -8.399 0.8012E-06 -6.096 0.3024E-06 0.2040E-04 clinochlore 0.1373E-07 -7.862 0.7629E-05 -5.118 0.2200E-02 0.2902E-05 daphnite 0.4048E-11 -11.393 0.2888E-08 -8.539 0.8329E-06 0.8753E-09 chlorite-Mn 0.1604E-11 -11.795 0.1137E-08 -8.944 0.3280E-06 0.3624E-09 microcline 0.1699E-05 -5.770 0.4729E-03 -3.325 0.1364 0.1847E-03 quartz 0.5764E-02 -2.239 0.3463 -0.461 99.86 0.1308 bornite 0.7993E-08 -8.097 0.4011E-05 -5.397 0.1157E-02 0.7891E-06 galena 0.1047E-07 -7.980 0.2504E-05 -5.601 0.7221E-03 0.3296E-06 sphalerite 0.1155E-07 -7.937 0.1126E-05 -5.949 0.3246E-03 0.2753E-06 Partial press. Fugacity coef Log fugacity Gas or Mineral Mole fraction or activity Activity coef Log activity H2O,gas 0.9868E+00 0.7055E+01 0.9468 0.825 CO2,gas 0.1229E-01 0.8785E-01 1.0182 -1.048 CH4,gas 0.2128E-03 0.1522E-02 1.0494 -2.797 H2,gas 0.3266E-03 0.2335E-02 1.0032 -2.630 H2S,gas 0.3696E-03 0.2643E-02 0.9825 -2.586 CO,gas 0.8420E-08 0.6020E-07 1.0000 -7.220 SO2,gas 0.3531E-15 0.2524E-14 1.0000 -14.598 HF,gas 0.1286E-08 0.9192E-08 1.0000 -8.037 HCl,gas 0.6034E-11 0.4314E-10 1.0000 -10.365 Hg,gas 0.2763E-09 0.1975E-08 1.0000 -8.704 clinochlore 0.9996E+00 0.9996E+00 1.0000 -0.000 daphnite 0.2948E-03 0.2948E-03 1.0000 -3.530 chlorite-Mn 0.1168E-03 0.1168E-03 1.0000 -3.932 microcline 0.1000E+01 0.1000E+01 1.0000 0.000 quartz 0.1000E+01 0.1000E+01 1.0000 0.000 bornite 0.1000E+01 0.1000E+01 1.0000 0.000 galena 0.1000E+01 0.1000E+01 1.0000 0.000 sphalerite 0.1000E+01 0.1000E+01 1.0000 0.000 Current weight percent of gas: 26.134975 % Solid products produced: Mass = 0.346780 g Volume = 0.130964 cm3 WARNING: mineral volume may be in error because some mineral densities were not supplied in SOLTHERM. See mineral list in file Skip_Species.txt. NON-Ideal mixing with H2O, CO2, CH4 Gases ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ The following gases and minerals are presently in matrix or were just added Gas or Mineral Log K Log Q Log(Q/K) Log(Q/K)/S Affinity Log Fugacity 1 H2O,gas 0.03 0.03 -0.00 -0.000 0.94472E-09 2 CO2,gas -8.05 -8.05 0.00 0.000 -0.39265E-09 3 CH4,gas 3.85 3.85 0.00 0.000 -0.85937E-09 4 H2,gas 6.02 6.02 0.00 0.000 -0.53543E-10 5 H2S,gas -7.29 -7.29 -0.00 -0.000 0.29270E-09 6 CO,gas 0.66 0.66 -0.00 -0.000 0.44619E-12 7 SO2,gas -2.89 -2.89 0.00 0.000 -0.17848E-11 8 HF,gas -1.97 -1.97 -0.00 -0.000 0.35695E-11 9 HCl,gas 2.46 2.46 0.00 0.000 -0.44619E-11 10 Hg,gas -10.90 -10.90 0.00 0.000 0.00000E+00 43 clinochlore 26.98 26.98 -0.00 -0.000 0.14278E-10 44 daphnite 18.21 18.21 -0.00 -0.000 0.35695E-10 45 chlorite-Mn 35.03 35.03 -0.00 -0.000 0.14278E-10 115 microcline -3.69 -3.69 -0.00 -0.000 0.10709E-10 146 quartz -2.57 -2.57 0.00 0.000 0.00000E+00 198 bornite -77.15 -77.15 0.00 0.000 -0.28556E-10 249 galena -10.84 -10.84 0.00 0.000 0.00000E+00 260 sphalerite -10.01 -10.01 0.00 0.000 0.00000E+00 The following gases and minerals are presently EXCLUDED from matrix (Gases and minerals with log(Q/K) less than -5 are not listed below) Gas or Mineral Log K Log Q Log(Q/K) Log(Q/K)/S Affinity Log Fugacity 11 acmite 6.27 1.28 -4.99 -0.518 0.10027E+05 15 albite-high -1.33 -2.80 -1.47 -0.113 0.29634E+04 16 albite -2.11 -2.80 -0.69 -0.053 0.13907E+04 20 analcite 1.17 -0.23 -1.40 -0.156 0.28134E+04 21 andalusite 0.03 -4.17 -4.20 -0.420 0.84498E+04 23 grossular 23.19 19.46 -3.72 -0.186 0.74838E+04 24 anhydrite -6.56 -11.29 -4.73 -2.365 0.95044E+04 25 ankerite -3.79 -8.34 -4.55 -0.759 0.91480E+04 27 phlogopite 19.69 18.08 -1.61 -0.090 0.32416E+04 29 anorthite 6.11 2.85 -3.26 -0.251 0.65452E+04 32 aragonite 0.06 -0.36 -0.42 -0.139 0.84049E+03 33 brucite 10.32 7.26 -3.06 -0.612 0.61449E+04 34 calcite -0.10 -0.36 -0.26 -0.088 0.52830E+03 35 carnegieite-low 5.99 2.34 -3.65 -0.521 0.73279E+04 36 carnegieite-high 6.77 2.34 -4.43 -0.633 0.89066E+04 37 carpholite-Mg 3.14 0.52 -2.63 -0.175 0.52838E+04 39 celadonite 2.79 0.99 -1.80 -0.106 0.36167E+04 41 chrysotile 18.94 16.63 -2.31 -0.192 0.46357E+04 46 chlorite-Al-free 37.42 33.26 -4.16 -0.173 0.83588E+04 47 chloritoid-Mg 6.75 3.09 -3.67 -0.244 0.73648E+04 49 chloritoid-Mn 5.59 0.76 -4.83 -0.322 0.96963E+04 51 coesite -2.04 -2.57 -0.53 -0.178 0.10738E+04 56 corundum 2.94 -1.60 -4.54 -0.413 0.91272E+04 58 cristobalite -2.26 -2.57 -0.31 -0.104 0.62667E+03 61 cymrite-K -0.05 -3.69 -3.64 -0.304 0.73187E+04 63 diaspore 0.61 -0.80 -1.41 -0.235 0.28390E+04 64 diamond -2.37 -4.88 -2.51 -0.717 0.50426E+04 65 diopside 12.81 11.71 -1.10 -0.110 0.22090E+04 66 hedenbergite 11.08 6.42 -4.65 -0.465 0.93490E+04 67 dolomite,ordered -1.45 -3.05 -1.60 -0.267 0.32137E+04 69 enstatite 13.23 9.37 -3.86 -0.386 0.77477E+04 70 clinoenstatite-HiP 14.16 9.37 -4.79 -0.479 0.96217E+04 71 clinoenstatite 13.15 9.37 -3.77 -0.377 0.75846E+04 72 protoenstatite 13.67 9.37 -4.29 -0.429 0.86288E+04 74 clinozoisite 12.74 9.07 -3.67 -0.167 0.73740E+04 78 forsterite 16.42 11.94 -4.48 -0.639 0.89934E+04 81 gibbsite 1.87 -0.80 -2.67 -0.382 0.53668E+04 82 glaucophane 14.83 11.03 -3.80 -0.103 0.76401E+04 84 goethite 4.88 0.71 -4.18 -0.903 0.83944E+04 85 graphite -2.78 -4.88 -2.10 -0.600 0.42192E+04 88 halite 1.38 -3.05 -4.44 -2.218 0.89137E+04 90 heulandite -9.03 -10.01 -0.98 -0.044 0.19641E+04 94 jadeite 2.09 -0.23 -2.32 -0.232 0.46596E+04 96 kalsilite 4.88 1.45 -3.44 -0.491 0.69062E+04 97 kaolinite -4.60 -6.74 -2.14 -0.195 0.43051E+04 98 kyanite 0.00 -4.17 -4.18 -0.418 0.83918E+04 100 laumontite -1.24 -2.29 -1.05 -0.070 0.21082E+04 101 lawsonite 4.56 2.85 -1.71 -0.114 0.34326E+04 102 leucite 1.75 -1.12 -2.88 -0.288 0.57829E+04 104 lizardite 18.49 16.63 -1.85 -0.154 0.37244E+04 105 magnesite -0.56 -2.69 -2.13 -0.710 0.42829E+04 108 minnesotaite-Mg 15.76 11.49 -4.27 -0.251 0.85735E+04 119 muscovite -3.15 -5.29 -2.15 -0.126 0.43162E+04 120 paragonite -1.87 -4.40 -2.53 -0.149 0.50817E+04 121 nepheline 5.38 2.34 -3.04 -0.435 0.61165E+04 133 phlogopite-Na 21.69 18.97 -2.72 -0.151 0.54660E+04 135 prehnite 12.07 9.87 -2.20 -0.129 0.44202E+04 136 prehnite-Fe 16.00 11.38 -4.62 -0.278 0.92921E+04 138 pumpellyite-Mg 31.08 26.20 -4.89 -0.109 0.98175E+04 141 pyrite -19.89 -22.03 -2.14 -0.504 0.43023E+04 142 pyrrhotite -4.88 -8.76 -3.88 -1.292 0.77901E+04 143 pyrrhotiteFe0.875 -6.32 -9.32 -3.00 -1.105 0.60380E+04 144 pyroxmangite 5.84 2.37 -3.48 -0.695 0.69840E+04 145 pyrophyllite -9.09 -11.88 -2.79 -0.175 0.56119E+04 151 rhodochrosite -1.70 -5.02 -3.32 -1.106 0.66685E+04 152 rhodonite 5.87 2.37 -3.51 -0.701 0.70446E+04 153 sanidine -2.67 -3.69 -1.03 -0.079 0.20684E+04 155 siderite -3.38 -7.98 -4.60 -1.532 0.92354E+04 156 sillimanite 0.23 -4.17 -4.41 -0.441 0.88536E+04 163 stilbite -9.27 -10.01 -0.73 -0.035 0.14723E+04 165 stilpnomelane-Mg 17.22 16.53 -0.69 -0.021 0.13908E+04 166 stishovite 2.42 -2.57 -4.99 -1.663 0.10028E+05 169 sulfur -8.71 -13.27 -4.56 -1.402 0.91554E+04 171 talc 12.31 11.49 -0.82 -0.048 0.16380E+04 178 topaz-H 0.29 -4.17 -4.46 -0.406 0.89686E+04 179 tridymite -2.30 -2.57 -0.27 -0.091 0.54772E+03 180 tremolite 37.02 34.91 -2.11 -0.057 0.42488E+04 182 troilite-low -4.97 -8.76 -3.79 -1.264 0.76189E+04 188 wairakite -0.92 -2.29 -1.38 -0.081 0.27630E+04 189 walstromite 9.50 7.02 -2.48 -0.496 0.49855E+04 190 wollastonite 8.62 7.02 -1.60 -0.319 0.32099E+04 191 pseudo-wollastonite 9.04 7.02 -2.02 -0.403 0.40519E+04 192 zoisite 12.78 9.07 -3.71 -0.169 0.74623E+04 193 beidellite-Ca -6.00 -9.72 -3.72 -0.230 0.74674E+04 194 beidellite-H -6.50 -11.30 -4.80 -0.306 0.96399E+04 195 beidellite-K -5.62 -9.71 -4.09 -0.250 0.82166E+04 196 beidellite-Mg -6.20 -10.10 -3.91 -0.242 0.78500E+04 197 beidellite-Na -5.52 -9.42 -3.90 -0.239 0.78307E+04 200 chalcedony -2.41 -2.57 -0.16 -0.053 0.31976E+03 201 chalcocite -23.71 -24.70 -0.99 -0.247 0.19877E+04 202 covellite -17.30 -18.99 -1.68 -0.642 0.33854E+04 204 montmorillonite-Ca -5.42 -7.64 -2.22 -0.137 0.44660E+04 205 montmorillonite-K -5.13 -7.63 -2.50 -0.153 0.50308E+04 206 montmorillonite-Mg -5.65 -8.03 -2.38 -0.147 0.47765E+04 207 montmorillonite-Na -4.98 -7.34 -2.36 -0.144 0.47374E+04 229 tobermorite 8.93 5.42 -3.51 -0.957 0.70469E+04 235 alabandite -1.89 -5.80 -3.91 -1.303 0.78543E+04 240 boehmite 1.79 -0.80 -2.59 -0.431 0.52002E+04 242 chalcopyrite -25.94 -27.75 -1.80 -0.335 0.36235E+04 245 copper,native -1.99 -5.72 -3.73 -1.296 0.74853E+04 246 dolomite,disordered -0.95 -3.05 -2.10 -0.351 0.42287E+04 248 fluorite -10.41 -12.14 -1.73 -0.577 0.34788E+04 257 silica-amorphous -1.88 -2.57 -0.70 -0.232 0.13978E+04 261 wurtzite -8.46 -10.01 -1.56 -0.519 0.31275E+04 263 an20ab80 -0.68 -1.67 -0.99 -0.076 0.19842E+04 264 an25ab75 -0.30 -1.39 -1.09 -0.084 0.21882E+04 265 an30ab70 0.09 -1.11 -1.20 -0.092 0.24035E+04 Calculations done for 166.0000 Deg. C; 7.1497 bar Enthalpies: Pure water 3.0341 kcal/mole H2O,gas 11.9539 kcal/mole CO2,gas 1.7449 kcal/mole CH4,gas 1.6939 kcal/mole Current solution 125.6879 Gas 170.8427 kcal Total current enthalpy 296.5306 kcal Starting enthalpy 296.5306 kcal Temperature changed by -2.000 degrees to 164.000 degrees C. Solids and gases carried ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ Test file for CHIM-XPT. Boil Broadlands Water Water similar to Broadlands Well No. 2 CHIMRUN demo-2a ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ Number of loops used = 9 Loop limit = 200 Temperature = 164.00 C Pressure = 6.80 bar Mixer fraction = 0.0000000 Total current enthalpy = 296.5306 KCAL Water: Moles liquid = 0.4124E+02 kg liquid = 0.7429E+00 Moles total = 0.5551E+02 kg total = 0.1000E+01 Activity = 1.0000 Stoichiometric ionic strength = .4530310E-01 Osmotic coef. = 0.9243 True ionic strength = .4428105E-01 Chg. balance for total moles = 0.2402E-07 Max. difference allowed = 0.3072E-05 Log Log Log Species(n) Molality Molality Activity Activity Gamma Gamma 1 H+ 0.72613E-07 -7.1390 0.55184E-07 -7.2582 0.75997E+00 -0.1192 2 H2O 0.99999E+00 -0.0000 0.99999E+00 -0.0000 3 Cl- 0.40680E-01 -1.3906 0.30557E-01 -1.5149 0.75116E+00 -0.1243 4 SO4-- 0.12681E-05 -5.8968 0.43631E-06 -6.3602 0.34405E+00 -0.4634 5 HCO3- 0.26228E-02 -2.5812 0.19791E-02 -2.7035 0.75456E+00 -0.1223 6 HS- 0.42771E-03 -3.3689 0.32143E-03 -3.4929 0.75152E+00 -0.1241 7 H4SiO4 0.26177E-02 -2.5821 0.26177E-02 -2.5821 0.10000E+01 0.0000 8 Al+++ 0.33291E-21 -21.4777 0.29789E-22 -22.5260 0.89480E-01 -1.0483 9 Ca++ 0.38062E-04 -4.4195 0.12853E-04 -4.8910 0.33769E+00 -0.4715 10 Mg++ 0.18544E-06 -6.7318 0.61803E-07 -7.2090 0.33328E+00 -0.4772 11 Fe++ 0.68400E-12 -12.1649 0.22870E-12 -12.6407 0.33435E+00 -0.4758 12 K+ 0.49904E-02 -2.3019 0.37695E-02 -2.4237 0.75535E+00 -0.1219 13 Na+ 0.39161E-01 -1.4071 0.29416E-01 -1.5314 0.75115E+00 -0.1243 14 Mn++ 0.83624E-09 -9.0777 0.28027E-09 -9.5524 0.33516E+00 -0.4748 15 Zn++ 0.49225E-13 -13.3078 0.16459E-13 -13.7836 0.33435E+00 -0.4758 16 Cu+ 0.72166E-14 -14.1417 0.54199E-14 -14.2660 0.75103E+00 -0.1243 17 Pb++ 0.68365E-14 -14.1652 0.23277E-14 -14.6331 0.34048E+00 -0.4679 18 Hg++ 0.78935E-37 -37.1027 0.26771E-37 -37.5723 0.33915E+00 -0.4696 19 F- 0.32366E-03 -3.4899 0.24124E-03 -3.6175 0.74536E+00 -0.1276 21 HSiO3- 0.89292E-04 -4.0492 0.67073E-04 -4.1735 0.75116E+00 -0.1243 22 Ca(HSiO3)+ 0.87749E-07 -7.0568 0.66321E-07 -7.1783 0.75581E+00 -0.1216 23 Mg(HSiO3)+ 0.40565E-09 -9.3918 0.30659E-09 -9.5134 0.75581E+00 -0.1216 24 NaHSiO3,aq 0.21017E-04 -4.6774 0.21017E-04 -4.6774 0.10000E+01 0.0000 27 HAlO2,aq 0.26985E-08 -8.5689 0.26985E-08 -8.5689 0.10000E+01 0.0000 28 AlO2- 0.66100E-06 -6.1798 0.49325E-06 -6.3069 0.74622E+00 -0.1271 29 CH4,aq 0.14611E-05 -5.8353 0.14408E-05 -5.8414 0.98607E+00 -0.0061 34 CO,aq 0.56918E-10 -10.2447 0.56918E-10 -10.2447 0.10000E+01 0.0000 35 CO2,aq 0.65999E-03 -3.1805 0.65079E-03 -3.1866 0.98607E+00 -0.0061 36 CO3-2 0.57559E-05 -5.2399 0.19690E-05 -5.7058 0.34208E+00 -0.4659 37 CaCO3,aq 0.19760E-05 -5.7042 0.19760E-05 -5.7042 0.10000E+01 0.0000 38 Ca(HCO3)+ 0.32760E-05 -5.4847 0.24760E-05 -5.6062 0.75581E+00 -0.1216 39 CaCl+ 0.34877E-05 -5.4575 0.26360E-05 -5.5791 0.75581E+00 -0.1216 40 CaCl2,aq 0.23940E-07 -7.6209 0.23940E-07 -7.6209 0.10000E+01 0.0000 41 CaF+ 0.25896E-06 -6.5868 0.19572E-06 -6.7084 0.75581E+00 -0.1216 42 CaOH+ 0.76165E-06 -6.1182 0.57566E-06 -6.2398 0.75581E+00 -0.1216 43 CaSO4,aq 0.61891E-08 -8.2084 0.61891E-08 -8.2084 0.10000E+01 0.0000 44 HCl,aq 0.63051E-09 -9.2003 0.63051E-09 -9.2003 0.10000E+01 0.0000 61 HF,aq 0.40239E-06 -6.3954 0.40239E-06 -6.3954 0.10000E+01 0.0000 62 HF2- 0.44483E-10 -10.3518 0.33414E-10 -10.4761 0.75116E+00 -0.1243 76 H2,aq 0.25514E-05 -5.5932 0.25158E-05 -5.5993 0.98607E+00 -0.0061 90 KCl,aq 0.86608E-05 -5.0624 0.86608E-05 -5.0624 0.10000E+01 0.0000 92 KOH,aq 0.29238E-06 -6.5341 0.29238E-06 -6.5341 0.10000E+01 0.0000 93 KSO4- 0.92368E-07 -7.0345 0.69384E-07 -7.1587 0.75116E+00 -0.1243 94 MgCO3,aq 0.16090E-08 -8.7934 0.16090E-08 -8.7934 0.10000E+01 0.0000 95 Mg(HCO3)+ 0.15748E-07 -7.8028 0.11903E-07 -7.9244 0.75581E+00 -0.1216 96 MgCl+ 0.11297E-07 -7.9470 0.85383E-08 -8.0686 0.75581E+00 -0.1216 97 MgF+ 0.39923E-08 -8.3988 0.30174E-08 -8.5204 0.75581E+00 -0.1216 98 MgOH+ 0.14120E-07 -7.8502 0.10672E-07 -7.9718 0.75581E+00 -0.1216 101 MnO,aq 0.20701E-10 -10.6840 0.20701E-10 -10.6840 0.10000E+01 0.0000 102 MnOH+ 0.30788E-09 -9.5116 0.23270E-09 -9.6332 0.75581E+00 -0.1216 107 MnCl+ 0.52554E-09 -9.2794 0.39721E-09 -9.4010 0.75581E+00 -0.1216 109 NaCl,aq 0.66084E-03 -3.1799 0.66084E-03 -3.1799 0.10000E+01 0.0000 110 NaF,aq 0.39814E-05 -5.4000 0.39814E-05 -5.4000 0.10000E+01 0.0000 111 NaOH,aq 0.17669E-05 -5.7528 0.17669E-05 -5.7528 0.10000E+01 0.0000 113 OH- 0.75323E-04 -4.1231 0.56208E-04 -4.2502 0.74622E+00 -0.1271 124 Pb(HS)2,aq 0.64507E-09 -9.1904 0.64507E-09 -9.1904 0.10000E+01 0.0000 126 H2S,aq 0.72571E-04 -4.1392 0.71560E-04 -4.1453 0.98607E+00 -0.0061 127 S2-2 0.77310E-10 -10.1118 0.26447E-10 -10.5776 0.34208E+00 -0.4659 135 HSO4- 0.26980E-09 -9.5690 0.20441E-09 -9.6895 0.75763E+00 -0.1205 154 ZnOH+ 0.77652E-10 -10.1098 0.58690E-10 -10.2314 0.75581E+00 -0.1216 164 Cu(HS)2- 0.29683E-07 -7.5275 0.22297E-07 -7.6518 0.75116E+00 -0.1243 166 CuH4S3-b 0.42598E-09 -9.3706 0.31998E-09 -9.4949 0.75116E+00 -0.1243 179 MgSO4,aq 0.11608E-09 -9.9352 0.11608E-09 -9.9352 0.10000E+01 0.0000 180 MnCl2,aq 0.70549E-10 -10.1515 0.70549E-10 -10.1515 0.10000E+01 0.0000 182 MnCO3,aq 0.19038E-08 -8.7204 0.19038E-08 -8.7204 0.10000E+01 0.0000 183 NaCO3- 0.20814E-05 -5.6816 0.15635E-05 -5.8059 0.75116E+00 -0.1243 184 NaHCO3,aq 0.33106E-04 -4.4801 0.33106E-04 -4.4801 0.10000E+01 0.0000 185 NaHS,aq 0.53768E-05 -5.2695 0.53768E-05 -5.2695 0.10000E+01 0.0000 186 NaSO4- 0.25929E-06 -6.5862 0.19477E-06 -6.7105 0.75116E+00 -0.1243 187 PbCO3,aq 0.11772E-09 -9.9291 0.11772E-09 -9.9291 0.10000E+01 0.0000 193 Zn(HS)2,aq 0.43459E-08 -8.3619 0.43459E-08 -8.3619 0.10000E+01 0.0000 194 Zn(HS)3- 0.13602E-09 -9.8664 0.10217E-09 -9.9907 0.75116E+00 -0.1243 Charge balance for all species = 0.3233E-07 Component Molality Aq.molality ppm log[A(N)/A(H+)**Z] (total) 1 H+ 0.7261346E-07 0.5313735E-03 0.5339614E+00 -0.0000 2 H2O 0.1000000E+01 0.5550756E+02 0.9969398E+06 0.0000 3 Cl- 0.4067976E-01 0.4135281E-01 0.1461616E+04 5.7433 4 SO4-- 0.1268140E-05 -.4725963E-06 -.4526009E-01 8.1562 5 HCO3- 0.2622841E-02 0.3330507E-02 0.2025993E+03 4.5546 6 HS- 0.4277064E-03 0.5078243E-03 0.1674361E+02 3.7653 7 H4SiO4 0.2617699E-02 0.2728097E-02 0.2614135E+03 -2.5821 8 Al+++ 0.3329062E-21 0.6636995E-06 0.1785307E-01 -0.7514 9 Ca++ 0.3806230E-04 0.4794046E-04 0.1915506E+01 9.6254 10 Mg++ 0.1854400E-06 0.2327278E-06 0.5640846E-02 7.3074 11 Fe++ 0.6840036E-12 0.3991197E-11 0.2222175E-06 1.8756 12 K+ 0.4990370E-02 0.4999415E-02 0.1948918E+03 4.8345 13 Na+ 0.3916094E-01 0.3988936E-01 0.9142555E+03 5.7268 14 Mn++ 0.8362356E-09 0.3679514E-08 0.2015295E-03 4.9639 15 Zn++ 0.4922514E-13 0.4566925E-08 0.2976307E-03 0.7328 16 Cu+ 0.7216640E-14 0.3011084E-07 0.1907416E-02 -7.0078 17 Pb++ 0.6836517E-14 0.7730356E-09 0.1596774E-03 -0.1167 18 Hg++ 0.7893548E-37 0.7328878E-11 0.1465622E-05 -23.0560 19 F- 0.3236601E-03 0.3283069E-03 0.6218179E+01 3.6406 Component Tot moles Aq. moles Solid moles Gas moles 1 H+ 0.1822172E+00 0.3947466E-03 -.7188252E-05 0.1818297E+00 2 H2O 0.5550825E+02 0.4123544E+02 -.1165378E-01 0.1428446E+02 3 Cl- 0.3072017E-01 0.3072017E-01 0.0000000E+00 0.8031180E-10 4 SO4-- -.4257700E-02 -.3510822E-06 0.1000134E-08 -.4257350E-02 5 HCO3- 0.1832100E+00 0.2474166E-02 0.0000000E+00 0.1807358E+00 6 HS- 0.9985820E-02 0.3772524E-03 0.5343721E-07 0.9608514E-02 7 H4SiO4 0.7855346E-02 0.2026648E-02 0.5828698E-02 0.0000000E+00 8 Al+++ 0.2253680E-05 0.4930489E-06 0.1760631E-05 0.0000000E+00 9 Ca++ 0.3561400E-04 0.3561400E-04 0.0000000E+00 0.0000000E+00 10 Mg++ 0.2355503E-06 0.1728888E-06 0.6266150E-07 0.0000000E+00 11 Fe++ 0.8017372E-08 0.2964980E-11 0.8014407E-08 0.0000000E+00 12 K+ 0.3715700E-02 0.3713964E-02 0.1735558E-05 0.0000000E+00 13 Na+ 0.2963300E-01 0.2963300E-01 0.0000000E+00 0.0000000E+00 14 Mn++ 0.2740424E-08 0.2733436E-08 0.6987280E-11 0.0000000E+00 15 Zn++ 0.1530000E-07 0.3392676E-08 0.1190732E-07 0.0000000E+00 16 Cu+ 0.6237410E-07 0.2236873E-07 0.4000537E-07 0.0000000E+00 17 Pb++ 0.1110000E-07 0.5742725E-09 0.1052573E-07 0.0000000E+00 18 Hg++ 0.4000000E-08 0.5444475E-11 0.0000000E+00 0.3994556E-08 19 F- 0.2439100E-03 0.2438926E-03 0.0000000E+00 0.1742627E-07 Chg. balance for solid moles: -.4057E-16 Mass of aqueous solution: 0.745149E+03 g Temperature = 164.00 C Pressure = 6.80 bar Mixer frac. = 0.0000000 Log Log Vol Gas or mineral Moles Moles Grams Grams Wt.% (cm3) H2O,gas 14.45 1.160 260.3 2.416 97.00 0.7304E+05 CO2,gas 0.1776 -0.750 7.818 0.893 2.913 970.7 CH4,gas 0.3093E-02 -2.510 0.4961E-01 -1.304 0.1849E-01 17.34 H2,gas 0.4658E-02 -2.332 0.9408E-02 -2.026 0.3506E-02 24.96 H2S,gas 0.5351E-02 -2.272 0.1824 -0.739 0.6795E-01 28.11 CO,gas 0.1124E-06 -6.949 0.3149E-05 -5.502 0.1173E-05 0.6007E-03 SO2,gas 0.4493E-14 -14.347 0.2878E-12 -12.541 0.1072E-12 0.2401E-10 HF,gas 0.1743E-07 -7.759 0.3485E-06 -6.458 0.1299E-06 0.9311E-04 HCl,gas 0.8031E-10 -10.095 0.2928E-08 -8.533 0.1091E-08 0.4291E-06 Hg,gas 0.3995E-08 -8.399 0.8013E-06 -6.096 0.2986E-06 0.2134E-04 clinochlore 0.1253E-07 -7.902 0.6966E-05 -5.157 0.1988E-02 0.2650E-05 daphnite 0.2667E-11 -11.574 0.1903E-08 -8.721 0.5431E-06 0.5766E-09 chlorite-Mn 0.1397E-11 -11.855 0.9908E-09 -9.004 0.2828E-06 0.3157E-09 microcline 0.1736E-05 -5.761 0.4831E-03 -3.316 0.1379 0.1887E-03 quartz 0.5823E-02 -2.235 0.3499 -0.456 99.86 0.1321 bornite 0.8001E-08 -8.097 0.4015E-05 -5.396 0.1146E-02 0.7899E-06 galena 0.1053E-07 -7.978 0.2518E-05 -5.599 0.7187E-03 0.3314E-06 sphalerite 0.1191E-07 -7.924 0.1160E-05 -5.935 0.3311E-03 0.2837E-06 Partial press. Fugacity coef Log fugacity Gas or Mineral Mole fraction or activity Activity coef Log activity H2O,gas 0.9870E+00 0.6714E+01 0.9485 0.804 CO2,gas 0.1213E-01 0.8251E-01 1.0180 -1.076 CH4,gas 0.2112E-03 0.1437E-02 1.0478 -2.822 H2,gas 0.3180E-03 0.2163E-02 1.0031 -2.664 H2S,gas 0.3654E-03 0.2486E-02 0.9831 -2.612 CO,gas 0.7677E-08 0.5222E-07 1.0000 -7.282 SO2,gas 0.3068E-15 0.2087E-14 1.0000 -14.680 HF,gas 0.1190E-08 0.8094E-08 1.0000 -8.092 HCl,gas 0.5484E-11 0.3730E-10 1.0000 -10.428 Hg,gas 0.2728E-09 0.1855E-08 1.0000 -8.732 clinochlore 0.9997E+00 0.9997E+00 1.0000 -0.000 daphnite 0.2127E-03 0.2127E-03 1.0000 -3.672 chlorite-Mn 0.1115E-03 0.1115E-03 1.0000 -3.953 microcline 0.1000E+01 0.1000E+01 1.0000 0.000 quartz 0.1000E+01 0.1000E+01 1.0000 0.000 bornite 0.1000E+01 0.1000E+01 1.0000 0.000 galena 0.1000E+01 0.1000E+01 1.0000 0.000 sphalerite 0.1000E+01 0.1000E+01 1.0000 0.000 Current weight percent of gas: 26.470773 % Solid products produced: Mass = 0.350371 g Volume = 0.132320 cm3 WARNING: mineral volume may be in error because some mineral densities were not supplied in SOLTHERM. See mineral list in file Skip_Species.txt. NON-Ideal mixing with H2O, CO2, CH4 Gases ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ The following gases and minerals are presently in matrix or were just added Gas or Mineral Log K Log Q Log(Q/K) Log(Q/K)/S Affinity Log Fugacity 1 H2O,gas 0.03 0.03 -0.00 -0.000 0.68060E-09 2 CO2,gas -8.05 -8.05 0.00 0.000 -0.28426E-09 3 CH4,gas 3.82 3.82 0.00 0.000 -0.61827E-09 4 H2,gas 6.03 6.03 0.00 0.000 -0.39086E-10 5 H2S,gas -7.31 -7.31 -0.00 -0.000 0.21142E-09 6 CO,gas 0.68 0.68 0.00 0.000 -0.44416E-12 7 SO2,gas -2.83 -2.83 -0.00 -0.000 0.62183E-11 8 HF,gas -1.95 -1.95 0.00 0.000 -0.17766E-11 9 HCl,gas 2.49 2.49 -0.00 -0.000 0.17766E-11 10 Hg,gas -10.96 -10.96 0.00 0.000 -0.71066E-11 43 clinochlore 27.29 27.29 -0.00 -0.000 0.14213E-10 44 daphnite 18.49 18.49 -0.00 -0.000 0.21320E-10 45 chlorite-Mn 35.33 35.33 -0.00 -0.000 0.28426E-10 115 microcline -3.66 -3.66 -0.00 -0.000 0.44416E-11 146 quartz -2.58 -2.58 0.00 0.000 0.00000E+00 198 bornite -77.43 -77.43 -0.00 -0.000 0.56853E-10 249 galena -10.87 -10.87 0.00 0.000 -0.35533E-11 260 sphalerite -10.02 -10.02 0.00 0.000 0.00000E+00 The following gases and minerals are presently EXCLUDED from matrix (Gases and minerals with log(Q/K) less than -5 are not listed below) Gas or Mineral Log K Log Q Log(Q/K) Log(Q/K)/S Affinity Log Fugacity 15 albite-high -1.28 -2.77 -1.49 -0.115 0.29904E+04 16 albite -2.07 -2.77 -0.70 -0.054 0.14095E+04 20 analcite 1.22 -0.19 -1.41 -0.157 0.28250E+04 21 andalusite 0.16 -4.08 -4.25 -0.425 0.85001E+04 23 grossular 23.44 19.63 -3.81 -0.190 0.76189E+04 24 anhydrite -6.52 -11.25 -4.73 -2.366 0.94654E+04 25 ankerite -3.74 -8.42 -4.69 -0.781 0.93749E+04 27 phlogopite 19.88 18.26 -1.62 -0.090 0.32471E+04 29 anorthite 6.28 2.96 -3.32 -0.255 0.66434E+04 32 aragonite 0.09 -0.34 -0.42 -0.140 0.84299E+03 33 brucite 10.37 7.31 -3.07 -0.613 0.61333E+04 34 calcite -0.07 -0.34 -0.27 -0.089 0.53205E+03 35 carnegieite-low 6.06 2.39 -3.67 -0.525 0.73442E+04 36 carnegieite-high 6.86 2.39 -4.46 -0.638 0.89302E+04 37 carpholite-Mg 3.29 0.64 -2.65 -0.176 0.52935E+04 39 celadonite 2.86 1.06 -1.80 -0.106 0.35921E+04 41 chrysotile 19.06 16.76 -2.31 -0.192 0.46143E+04 46 chlorite-Al-free 37.67 33.52 -4.16 -0.173 0.83115E+04 47 chloritoid-Mg 6.92 3.22 -3.70 -0.247 0.73963E+04 49 chloritoid-Mn 5.74 0.88 -4.86 -0.324 0.97278E+04 51 coesite -2.05 -2.58 -0.54 -0.179 0.10732E+04 56 corundum 3.09 -1.50 -4.59 -0.417 0.91773E+04 58 cristobalite -2.27 -2.58 -0.31 -0.105 0.62968E+03 61 cymrite-K -0.01 -3.66 -3.66 -0.305 0.73122E+04 63 diaspore 0.67 -0.75 -1.42 -0.237 0.28477E+04 64 diamond -2.39 -4.90 -2.51 -0.718 0.50251E+04 65 diopside 12.89 11.77 -1.13 -0.113 0.22511E+04 66 hedenbergite 11.16 6.34 -4.82 -0.482 0.96435E+04 67 dolomite,ordered -1.40 -2.99 -1.59 -0.266 0.31883E+04 69 enstatite 13.33 9.45 -3.88 -0.388 0.77663E+04 70 clinoenstatite-HiP 14.27 9.45 -4.82 -0.482 0.96398E+04 71 clinoenstatite 13.25 9.45 -3.80 -0.380 0.76030E+04 72 protoenstatite 13.77 9.45 -4.32 -0.432 0.86495E+04 74 clinozoisite 13.00 9.25 -3.75 -0.171 0.75075E+04 78 forsterite 16.54 12.03 -4.51 -0.644 0.90132E+04 81 gibbsite 1.93 -0.75 -2.68 -0.383 0.53597E+04 82 glaucophane 15.04 11.22 -3.82 -0.103 0.76442E+04 84 goethite 4.92 0.61 -4.31 -0.933 0.86286E+04 85 graphite -2.80 -4.90 -2.10 -0.600 0.42038E+04 88 halite 1.39 -3.05 -4.44 -2.219 0.88775E+04 90 heulandite -8.95 -9.95 -1.00 -0.046 0.20102E+04 94 jadeite 2.14 -0.19 -2.33 -0.233 0.46634E+04 96 kalsilite 4.95 1.50 -3.45 -0.493 0.69085E+04 97 kaolinite -4.51 -6.67 -2.15 -0.196 0.43051E+04 98 kyanite 0.13 -4.08 -4.22 -0.422 0.84378E+04 100 laumontite -1.14 -2.21 -1.07 -0.071 0.21386E+04 101 lawsonite 4.69 2.96 -1.73 -0.115 0.34641E+04 102 leucite 1.82 -1.08 -2.90 -0.290 0.57945E+04 104 lizardite 18.61 16.76 -1.85 -0.154 0.36969E+04 105 magnesite -0.53 -2.65 -2.13 -0.709 0.42550E+04 108 minnesotaite-Mg 15.88 11.59 -4.29 -0.252 0.85731E+04 119 muscovite -3.00 -5.17 -2.17 -0.128 0.43403E+04 120 paragonite -1.71 -4.27 -2.56 -0.151 0.51205E+04 121 nepheline 5.46 2.39 -3.07 -0.438 0.61339E+04 133 phlogopite-Na 21.90 19.15 -2.74 -0.152 0.54896E+04 135 prehnite 12.26 10.00 -2.26 -0.133 0.45187E+04 136 prehnite-Fe 16.17 11.36 -4.81 -0.289 0.96151E+04 138 pumpellyite-Mg 31.55 26.56 -4.99 -0.111 0.99865E+04 141 pyrite -19.92 -22.16 -2.24 -0.528 0.44859E+04 142 pyrrhotite -4.86 -8.88 -4.01 -1.338 0.80267E+04 143 pyrrhotiteFe0.875 -6.30 -9.42 -3.12 -1.147 0.62404E+04 144 pyroxmangite 5.88 2.38 -3.50 -0.700 0.69988E+04 145 pyrophyllite -9.01 -11.83 -2.82 -0.176 0.56336E+04 151 rhodochrosite -1.68 -5.00 -3.32 -1.107 0.66455E+04 152 rhodonite 5.91 2.38 -3.53 -0.706 0.70601E+04 153 sanidine -2.63 -3.66 -1.03 -0.080 0.20683E+04 155 siderite -3.36 -8.09 -4.73 -1.576 0.94573E+04 156 sillimanite 0.37 -4.08 -4.45 -0.445 0.89053E+04 163 stilbite -9.23 -9.95 -0.72 -0.034 0.14450E+04 165 stilpnomelane-Mg 17.48 16.79 -0.69 -0.021 0.13790E+04 169 sulfur -8.72 -13.28 -4.56 -1.404 0.91244E+04 171 talc 12.41 11.59 -0.82 -0.048 0.16352E+04 178 topaz-H 0.41 -4.08 -4.49 -0.408 0.89830E+04 179 tridymite -2.31 -2.58 -0.27 -0.092 0.55000E+03 180 tremolite 37.30 35.13 -2.17 -0.059 0.43339E+04 182 troilite-low -4.95 -8.88 -3.93 -1.309 0.78529E+04 188 wairakite -0.79 -2.21 -1.41 -0.083 0.28298E+04 189 walstromite 9.55 7.04 -2.51 -0.502 0.50216E+04 190 wollastonite 8.67 7.04 -1.62 -0.325 0.32455E+04 191 pseudo-wollastonite 9.09 7.04 -2.04 -0.409 0.40896E+04 192 zoisite 13.05 9.25 -3.80 -0.173 0.75958E+04 193 beidellite-Ca -5.89 -9.64 -3.75 -0.232 0.75056E+04 194 beidellite-H -6.39 -11.23 -4.83 -0.308 0.96696E+04 195 beidellite-K -5.51 -9.63 -4.12 -0.252 0.82385E+04 196 beidellite-Mg -6.08 -10.02 -3.94 -0.244 0.78837E+04 197 beidellite-Na -5.41 -9.34 -3.93 -0.241 0.78577E+04 200 chalcedony -2.42 -2.58 -0.16 -0.053 0.31973E+03 201 chalcocite -23.82 -24.77 -0.95 -0.238 0.19004E+04 202 covellite -17.37 -19.02 -1.66 -0.632 0.33192E+04 204 montmorillonite-Ca -5.34 -7.58 -2.25 -0.139 0.44914E+04 205 montmorillonite-K -5.06 -7.58 -2.52 -0.154 0.50422E+04 206 montmorillonite-Mg -5.57 -7.97 -2.40 -0.148 0.47973E+04 207 montmorillonite-Na -4.91 -7.28 -2.38 -0.145 0.47516E+04 229 tobermorite 8.95 5.44 -3.51 -0.958 0.70257E+04 235 alabandite -1.86 -5.79 -3.93 -1.308 0.78518E+04 240 boehmite 1.86 -0.75 -2.61 -0.435 0.52164E+04 242 chalcopyrite -26.00 -27.90 -1.90 -0.353 0.37942E+04 245 copper,native -2.02 -5.74 -3.72 -1.295 0.74494E+04 246 dolomite,disordered -0.89 -2.99 -2.10 -0.351 0.42091E+04 248 fluorite -10.39 -12.13 -1.74 -0.579 0.34764E+04 257 silica-amorphous -1.88 -2.58 -0.70 -0.234 0.14017E+04 261 wurtzite -8.45 -10.02 -1.56 -0.521 0.31276E+04 263 an20ab80 -0.61 -1.62 -1.01 -0.078 0.20209E+04 264 an25ab75 -0.22 -1.34 -1.11 -0.086 0.22291E+04 265 an30ab70 0.17 -1.05 -1.22 -0.094 0.24486E+04 Calculations done for 164.0000 Deg. C; 6.8025 bar Enthalpies: Pure water 2.9963 kcal/mole H2O,gas 11.9455 kcal/mole CO2,gas 1.7153 kcal/mole CH4,gas 1.6649 kcal/mole Current solution 123.5564 Gas 172.9742 kcal Total current enthalpy 296.5306 kcal Starting enthalpy 296.5306 kcal Temperature changed by -2.000 degrees to 162.000 degrees C. Solids and gases carried ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ Test file for CHIM-XPT. Boil Broadlands Water Water similar to Broadlands Well No. 2 CHIMRUN demo-2a ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ Number of loops used = 9 Loop limit = 200 Temperature = 162.00 C Pressure = 6.47 bar Mixer fraction = 0.0000000 Total current enthalpy = 296.5306 KCAL Water: Moles liquid = 0.4105E+02 kg liquid = 0.7395E+00 Moles total = 0.5551E+02 kg total = 0.1000E+01 Activity = 1.0000 Stoichiometric ionic strength = .4548715E-01 Osmotic coef. = 0.9247 True ionic strength = .4449836E-01 Chg. balance for total moles = 0.2402E-07 Max. difference allowed = 0.3072E-05 Log Log Log Species(n) Molality Molality Activity Activity Gamma Gamma 1 H+ 0.70282E-07 -7.1532 0.53475E-07 -7.2719 0.76086E+00 -0.1187 2 H2O 0.99999E+00 -0.0000 0.99999E+00 -0.0000 3 Cl- 0.40879E-01 -1.3885 0.30743E-01 -1.5122 0.75206E+00 -0.1237 4 SO4-- 0.13543E-05 -5.8683 0.46805E-06 -6.3297 0.34560E+00 -0.4614 5 HCO3- 0.26418E-02 -2.5781 0.19957E-02 -2.6999 0.75542E+00 -0.1218 6 HS- 0.42374E-03 -3.3729 0.31883E-03 -3.4964 0.75241E+00 -0.1235 7 H4SiO4 0.25507E-02 -2.5933 0.25507E-02 -2.5933 0.10000E+01 0.0000 8 Al+++ 0.33573E-21 -21.4740 0.30353E-22 -22.5178 0.90409E-01 -1.0438 9 Ca++ 0.38475E-04 -4.4148 0.13053E-04 -4.8843 0.33925E+00 -0.4695 10 Mg++ 0.19446E-06 -6.7112 0.65117E-07 -7.1863 0.33485E+00 -0.4751 11 Fe++ 0.50617E-12 -12.2957 0.17003E-12 -12.7695 0.33592E+00 -0.4738 12 K+ 0.50135E-02 -2.2999 0.37912E-02 -2.4212 0.75620E+00 -0.1214 13 Na+ 0.39354E-01 -1.4050 0.29595E-01 -1.5288 0.75203E+00 -0.1238 14 Mn++ 0.83281E-09 -9.0795 0.28043E-09 -9.5522 0.33672E+00 -0.4727 15 Zn++ 0.47271E-13 -13.3254 0.15879E-13 -13.7992 0.33592E+00 -0.4738 16 Cu+ 0.66030E-14 -14.1803 0.49649E-14 -14.3041 0.75191E+00 -0.1238 17 Pb++ 0.62072E-14 -14.2071 0.21230E-14 -14.6730 0.34202E+00 -0.4659 18 Hg++ 0.64589E-37 -37.1898 0.22006E-37 -37.6575 0.34070E+00 -0.4676 19 F- 0.32527E-03 -3.4878 0.24276E-03 -3.6148 0.74633E+00 -0.1271 21 HSiO3- 0.89451E-04 -4.0484 0.67273E-04 -4.1722 0.75206E+00 -0.1237 22 Ca(HSiO3)+ 0.85532E-07 -7.0679 0.64718E-07 -7.1890 0.75665E+00 -0.1211 23 Mg(HSiO3)+ 0.41351E-09 -9.3835 0.31288E-09 -9.5046 0.75665E+00 -0.1211 24 NaHSiO3,aq 0.21327E-04 -4.6711 0.21327E-04 -4.6711 0.10000E+01 0.0000 27 HAlO2,aq 0.25624E-08 -8.5914 0.25624E-08 -8.5914 0.10000E+01 0.0000 28 AlO2- 0.62034E-06 -6.2074 0.46350E-06 -6.3339 0.74717E+00 -0.1266 29 CH4,aq 0.13578E-05 -5.8672 0.13389E-05 -5.8733 0.98602E+00 -0.0061 34 CO,aq 0.48395E-10 -10.3152 0.48395E-10 -10.3152 0.10000E+01 0.0000 35 CO2,aq 0.62015E-03 -3.2075 0.61148E-03 -3.2136 0.98602E+00 -0.0061 36 CO3-2 0.60922E-05 -5.2152 0.20935E-05 -5.6791 0.34364E+00 -0.4639 37 CaCO3,aq 0.20056E-05 -5.6977 0.20056E-05 -5.6977 0.10000E+01 0.0000 38 Ca(HCO3)+ 0.31963E-05 -5.4954 0.24185E-05 -5.6165 0.75665E+00 -0.1211 39 CaCl+ 0.33908E-05 -5.4697 0.25656E-05 -5.5908 0.75665E+00 -0.1211 40 CaCl2,aq 0.23118E-07 -7.6360 0.23118E-07 -7.6360 0.10000E+01 0.0000 41 CaF+ 0.25134E-06 -6.5997 0.19018E-06 -6.7208 0.75665E+00 -0.1211 42 CaOH+ 0.72544E-06 -6.1394 0.54891E-06 -6.2605 0.75665E+00 -0.1211 43 CaSO4,aq 0.64453E-08 -8.1908 0.64453E-08 -8.1908 0.10000E+01 0.0000 44 HCl,aq 0.59567E-09 -9.2250 0.59567E-09 -9.2250 0.10000E+01 0.0000 61 HF,aq 0.37428E-06 -6.4268 0.37428E-06 -6.4268 0.10000E+01 0.0000 62 HF2- 0.41671E-10 -10.3802 0.31339E-10 -10.5039 0.75206E+00 -0.1237 76 H2,aq 0.23267E-05 -5.6333 0.22942E-05 -5.6394 0.98602E+00 -0.0061 90 KCl,aq 0.83941E-05 -5.0760 0.83941E-05 -5.0760 0.10000E+01 0.0000 92 KOH,aq 0.28658E-06 -6.5428 0.28658E-06 -6.5428 0.10000E+01 0.0000 93 KSO4- 0.96111E-07 -7.0172 0.72281E-07 -7.1410 0.75206E+00 -0.1237 94 MgCO3,aq 0.17139E-08 -8.7660 0.17139E-08 -8.7660 0.10000E+01 0.0000 95 Mg(HCO3)+ 0.15965E-07 -7.7968 0.12080E-07 -7.9179 0.75665E+00 -0.1211 96 MgCl+ 0.11494E-07 -7.9395 0.86972E-08 -8.0606 0.75665E+00 -0.1211 97 MgF+ 0.40373E-08 -8.3939 0.30548E-08 -8.5150 0.75665E+00 -0.1211 98 MgOH+ 0.14063E-07 -7.8519 0.10641E-07 -7.9730 0.75665E+00 -0.1211 101 MnO,aq 0.19117E-10 -10.7186 0.19117E-10 -10.7186 0.10000E+01 0.0000 102 MnOH+ 0.29515E-09 -9.5300 0.22333E-09 -9.6511 0.75665E+00 -0.1211 107 MnCl+ 0.49534E-09 -9.3051 0.37480E-09 -9.4262 0.75665E+00 -0.1211 109 NaCl,aq 0.65115E-03 -3.1863 0.65115E-03 -3.1863 0.10000E+01 0.0000 110 NaF,aq 0.39150E-05 -5.4073 0.39150E-05 -5.4073 0.10000E+01 0.0000 111 NaOH,aq 0.17433E-05 -5.7586 0.17433E-05 -5.7586 0.10000E+01 0.0000 113 OH- 0.74788E-04 -4.1262 0.55879E-04 -4.2527 0.74717E+00 -0.1266 124 Pb(HS)2,aq 0.58452E-09 -9.2332 0.58452E-09 -9.2332 0.10000E+01 0.0000 126 H2S,aq 0.68459E-04 -4.1646 0.67502E-04 -4.1707 0.98602E+00 -0.0061 127 S2-2 0.75432E-10 -10.1224 0.25921E-10 -10.5863 0.34364E+00 -0.4639 135 HSO4- 0.26174E-09 -9.5821 0.19852E-09 -9.7022 0.75847E+00 -0.1201 154 ZnOH+ 0.70345E-10 -10.1528 0.53226E-10 -10.2739 0.75665E+00 -0.1211 164 Cu(HS)2- 0.29750E-07 -7.5265 0.22373E-07 -7.6503 0.75206E+00 -0.1237 166 CuH4S3-b 0.45937E-09 -9.3378 0.34547E-09 -9.4616 0.75206E+00 -0.1237 179 MgSO4,aq 0.12546E-09 -9.9015 0.12546E-09 -9.9015 0.10000E+01 0.0000 180 MnCl2,aq 0.64410E-10 -10.1910 0.64410E-10 -10.1910 0.10000E+01 0.0000 182 MnCO3,aq 0.19772E-08 -8.7040 0.19772E-08 -8.7040 0.10000E+01 0.0000 183 NaCO3- 0.21707E-05 -5.6634 0.16325E-05 -5.7871 0.75206E+00 -0.1237 184 NaHCO3,aq 0.32494E-04 -4.4882 0.32494E-04 -4.4882 0.10000E+01 0.0000 185 NaHS,aq 0.51912E-05 -5.2847 0.51912E-05 -5.2847 0.10000E+01 0.0000 186 NaSO4- 0.27377E-06 -6.5626 0.20589E-06 -6.6864 0.75206E+00 -0.1237 187 PbCO3,aq 0.11005E-09 -9.9584 0.11005E-09 -9.9584 0.10000E+01 0.0000 193 Zn(HS)2,aq 0.39556E-08 -8.4028 0.39556E-08 -8.4028 0.10000E+01 0.0000 194 Zn(HS)3- 0.12438E-09 -9.9052 0.93542E-10 -10.0290 0.75206E+00 -0.1237 Charge balance for all species = 0.3248E-07 Component Molality Aq.molality ppm log[A(N)/A(H+)**Z] (total) 1 H+ 0.7028243E-07 0.4872911E-03 0.4896621E+00 0.0000 2 H2O 0.1000000E+01 0.5550760E+02 0.9969360E+06 0.0000 3 Cl- 0.4087910E-01 0.4154209E-01 0.1468300E+04 5.7596 4 SO4-- 0.1354317E-05 -.2084657E-06 -.1996447E-01 8.2140 5 HCO3- 0.2641800E-02 0.3309288E-02 0.2013076E+03 4.5719 6 HS- 0.4237403E-03 0.4994006E-03 0.1646580E+02 3.7754 7 H4SiO4 0.2550739E-02 0.2661603E-02 0.2550408E+03 -2.5933 8 Al+++ 0.3357332E-21 0.6229009E-06 0.1675554E-01 -0.7022 9 Ca++ 0.3847529E-04 0.4815990E-04 0.1924265E+01 9.6594 10 Mg++ 0.1944637E-06 0.2422765E-06 0.5872261E-02 7.3574 11 Fe++ 0.5061682E-12 0.2842661E-11 0.1582699E-06 1.7742 12 K+ 0.5013475E-02 0.5022251E-02 0.1957811E+03 4.8506 13 Na+ 0.3935368E-01 0.4007194E-01 0.9184361E+03 5.7431 14 Mn++ 0.8328125E-09 0.3697709E-08 0.2025251E-03 4.9915 15 Zn++ 0.4727067E-13 0.4156957E-08 0.2709114E-03 0.7445 16 Cu+ 0.6602962E-14 0.3021080E-07 0.1913739E-02 -7.0322 17 Pb++ 0.6207161E-14 0.7037052E-09 0.1453560E-03 -0.1293 18 Hg++ 0.6458904E-37 0.6909131E-11 0.1381675E-05 -23.1138 19 F- 0.3252664E-03 0.3298111E-03 0.6246641E+01 3.6570 Component Tot moles Aq. moles Solid moles Gas moles 1 H+ 0.1822172E+00 0.3603493E-03 -.7308261E-05 0.1818642E+00 2 H2O 0.5550825E+02 0.4104759E+02 -.1177053E-01 0.1447243E+02 3 Cl- 0.3072017E-01 0.3072017E-01 0.0000000E+00 0.7387879E-10 4 SO4-- -.4257700E-02 -.1541593E-06 0.1000834E-08 -.4257547E-02 5 HCO3- 0.1832100E+00 0.2447202E-02 0.0000000E+00 0.1807628E+00 6 HS- 0.9985820E-02 0.3693042E-03 0.5383142E-07 0.9616462E-02 7 H4SiO4 0.7855346E-02 0.1968242E-02 0.5887104E-02 0.0000000E+00 8 Al+++ 0.2253680E-05 0.4606320E-06 0.1793048E-05 0.0000000E+00 9 Ca++ 0.3561400E-04 0.3561400E-04 0.0000000E+00 0.0000000E+00 10 Mg++ 0.2355503E-06 0.1791623E-06 0.5638801E-07 0.0000000E+00 11 Fe++ 0.8017372E-08 0.2102134E-11 0.8015270E-08 0.0000000E+00 12 K+ 0.3715700E-02 0.3713930E-02 0.1770487E-05 0.0000000E+00 13 Na+ 0.2963300E-01 0.2963300E-01 0.0000000E+00 0.0000000E+00 14 Mn++ 0.2740424E-08 0.2734437E-08 0.5986902E-11 0.0000000E+00 15 Zn++ 0.1530000E-07 0.3074049E-08 0.1222595E-07 0.0000000E+00 16 Cu+ 0.6237410E-07 0.2234074E-07 0.4003336E-07 0.0000000E+00 17 Pb++ 0.1110000E-07 0.5203864E-09 0.1057961E-07 0.0000000E+00 18 Hg++ 0.4000000E-08 0.5109267E-11 0.0000000E+00 0.3994891E-08 19 F- 0.2439100E-03 0.2438937E-03 0.0000000E+00 0.1632748E-07 Chg. balance for solid moles: 0.5875E-16 Mass of aqueous solution: 0.741757E+03 g Temperature = 162.00 C Pressure = 6.47 bar Mixer frac. = 0.0000000 Log Log Vol Gas or mineral Moles Moles Grams Grams Wt.% (cm3) H2O,gas 14.64 1.166 263.7 2.421 97.03 0.7760E+05 CO2,gas 0.1777 -0.750 7.819 0.893 2.877 1016. CH4,gas 0.3110E-02 -2.507 0.4988E-01 -1.302 0.1835E-01 18.22 H2,gas 0.4592E-02 -2.338 0.9276E-02 -2.033 0.3413E-02 25.76 H2S,gas 0.5359E-02 -2.271 0.1826 -0.738 0.6720E-01 29.48 CO,gas 0.1038E-06 -6.984 0.2906E-05 -5.537 0.1069E-05 0.5803E-03 SO2,gas 0.3949E-14 -14.403 0.2530E-12 -12.597 0.9309E-13 0.2209E-10 HF,gas 0.1633E-07 -7.787 0.3265E-06 -6.486 0.1202E-06 0.9132E-04 HCl,gas 0.7388E-10 -10.131 0.2694E-08 -8.570 0.9911E-09 0.4132E-06 Hg,gas 0.3995E-08 -8.398 0.8013E-06 -6.096 0.2949E-06 0.2234E-04 clinochlore 0.1128E-07 -7.948 0.6268E-05 -5.203 0.1771E-02 0.2384E-05 daphnite 0.1719E-11 -11.765 0.1227E-08 -8.911 0.3467E-06 0.3718E-09 chlorite-Mn 0.1197E-11 -11.922 0.8489E-09 -9.071 0.2399E-06 0.2705E-09 microcline 0.1770E-05 -5.752 0.4928E-03 -3.307 0.1393 0.1925E-03 quartz 0.5882E-02 -2.230 0.3534 -0.452 99.86 0.1335 bornite 0.8007E-08 -8.097 0.4018E-05 -5.396 0.1135E-02 0.7904E-06 galena 0.1058E-07 -7.976 0.2531E-05 -5.597 0.7153E-03 0.3331E-06 sphalerite 0.1223E-07 -7.913 0.1191E-05 -5.924 0.3366E-03 0.2913E-06 Partial press. Fugacity coef Log fugacity Gas or Mineral Mole fraction or activity Activity coef Log activity H2O,gas 0.9871E+00 0.6385E+01 0.9501 0.783 CO2,gas 0.1198E-01 0.7747E-01 1.0177 -1.103 CH4,gas 0.2096E-03 0.1356E-02 1.0462 -2.848 H2,gas 0.3096E-03 0.2002E-02 1.0030 -2.697 H2S,gas 0.3613E-03 0.2337E-02 0.9837 -2.638 CO,gas 0.6995E-08 0.4525E-07 1.0000 -7.344 SO2,gas 0.2663E-15 0.1722E-14 1.0000 -14.764 HF,gas 0.1101E-08 0.7120E-08 1.0000 -8.148 HCl,gas 0.4981E-11 0.3222E-10 1.0000 -10.492 Hg,gas 0.2693E-09 0.1742E-08 1.0000 -8.759 clinochlore 0.9997E+00 0.9997E+00 1.0000 -0.000 daphnite 0.1524E-03 0.1524E-03 1.0000 -3.817 chlorite-Mn 0.1061E-03 0.1061E-03 1.0000 -3.974 microcline 0.1000E+01 0.1000E+01 1.0000 0.000 quartz 0.1000E+01 0.1000E+01 1.0000 0.000 bornite 0.1000E+01 0.1000E+01 1.0000 0.000 galena 0.1000E+01 0.1000E+01 1.0000 0.000 sphalerite 0.1000E+01 0.1000E+01 1.0000 0.000 Current weight percent of gas: 26.804889 % Solid products produced: Mass = 0.353883 g Volume = 0.133646 cm3 WARNING: mineral volume may be in error because some mineral densities were not supplied in SOLTHERM. See mineral list in file Skip_Species.txt. NON-Ideal mixing with H2O, CO2, CH4 Gases ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ The following gases and minerals are presently in matrix or were just added Gas or Mineral Log K Log Q Log(Q/K) Log(Q/K)/S Affinity Log Fugacity 1 H2O,gas 0.03 0.03 -0.00 -0.000 0.48319E-09 2 CO2,gas -8.06 -8.06 0.00 0.000 -0.19807E-09 3 CH4,gas 3.79 3.79 0.00 0.000 -0.43771E-09 4 H2,gas 6.03 6.03 0.00 0.000 -0.28296E-10 5 H2S,gas -7.32 -7.32 -0.00 -0.000 0.14856E-09 6 CO,gas 0.71 0.71 -0.00 -0.000 0.66319E-12 7 SO2,gas -2.77 -2.77 0.00 0.000 -0.70741E-11 8 HF,gas -1.93 -1.93 -0.00 -0.000 0.44213E-12 9 HCl,gas 2.52 2.52 0.00 0.000 -0.17685E-11 10 Hg,gas -11.02 -11.02 0.00 0.000 -0.10611E-10 43 clinochlore 27.60 27.60 0.00 0.000 -0.21222E-10 44 daphnite 18.77 18.77 0.00 0.000 0.00000E+00 45 chlorite-Mn 35.64 35.64 -0.00 -0.000 0.14148E-10 115 microcline -3.63 -3.63 0.00 0.000 -0.97269E-11 146 quartz -2.59 -2.59 0.00 0.000 0.00000E+00 198 bornite -77.72 -77.72 0.00 0.000 0.00000E+00 249 galena -10.90 -10.90 0.00 0.000 0.00000E+00 260 sphalerite -10.02 -10.02 0.00 0.000 -0.35370E-11 The following gases and minerals are presently EXCLUDED from matrix (Gases and minerals with log(Q/K) less than -5 are not listed below) Gas or Mineral Log K Log Q Log(Q/K) Log(Q/K)/S Affinity Log Fugacity 15 albite-high -1.22 -2.74 -1.52 -0.117 0.30176E+04 16 albite -2.02 -2.74 -0.72 -0.055 0.14285E+04 20 analcite 1.28 -0.15 -1.42 -0.158 0.28369E+04 21 andalusite 0.30 -4.00 -4.29 -0.429 0.85507E+04 23 grossular 23.69 19.79 -3.89 -0.195 0.77544E+04 24 anhydrite -6.48 -11.21 -4.73 -2.367 0.94264E+04 25 ankerite -3.69 -8.51 -4.82 -0.804 0.96047E+04 27 phlogopite 20.07 18.44 -1.63 -0.091 0.32524E+04 29 anorthite 6.45 3.07 -3.39 -0.260 0.67419E+04 32 aragonite 0.11 -0.31 -0.42 -0.141 0.84525E+03 33 brucite 10.43 7.36 -3.07 -0.615 0.61216E+04 34 calcite -0.04 -0.31 -0.27 -0.090 0.53558E+03 35 carnegieite-low 6.14 2.45 -3.70 -0.528 0.73607E+04 36 carnegieite-high 6.94 2.45 -4.50 -0.642 0.89541E+04 37 carpholite-Mg 3.43 0.77 -2.66 -0.178 0.53035E+04 39 celadonite 2.92 1.13 -1.79 -0.105 0.35675E+04 41 chrysotile 19.19 16.89 -2.31 -0.192 0.45928E+04 46 chlorite-Al-free 37.92 33.77 -4.15 -0.173 0.82640E+04 47 chloritoid-Mg 7.09 3.36 -3.73 -0.249 0.74279E+04 49 chloritoid-Mn 5.90 0.99 -4.90 -0.327 0.97609E+04 51 coesite -2.05 -2.59 -0.54 -0.180 0.10726E+04 56 corundum 3.23 -1.40 -4.63 -0.421 0.92276E+04 58 cristobalite -2.28 -2.59 -0.32 -0.106 0.63268E+03 61 cymrite-K 0.04 -3.63 -3.67 -0.306 0.73057E+04 63 diaspore 0.73 -0.70 -1.43 -0.239 0.28565E+04 64 diamond -2.40 -4.92 -2.51 -0.719 0.50074E+04 65 diopside 12.98 11.83 -1.15 -0.115 0.22931E+04 66 hedenbergite 11.24 6.25 -4.99 -0.499 0.99413E+04 67 dolomite,ordered -1.34 -2.93 -1.59 -0.265 0.31623E+04 69 enstatite 13.44 9.53 -3.91 -0.391 0.77847E+04 70 clinoenstatite-HiP 14.38 9.53 -4.85 -0.485 0.96577E+04 71 clinoenstatite 13.36 9.53 -3.83 -0.383 0.76212E+04 72 protoenstatite 13.88 9.53 -4.35 -0.435 0.86701E+04 74 clinozoisite 13.27 9.43 -3.84 -0.174 0.76415E+04 78 forsterite 16.66 12.12 -4.54 -0.648 0.90330E+04 81 gibbsite 1.99 -0.70 -2.69 -0.384 0.53529E+04 82 glaucophane 15.25 11.41 -3.84 -0.104 0.76483E+04 84 goethite 4.96 0.51 -4.45 -0.963 0.88662E+04 85 graphite -2.82 -4.92 -2.10 -0.601 0.41880E+04 88 halite 1.40 -3.04 -4.44 -2.220 0.88410E+04 90 heulandite -8.87 -9.90 -1.03 -0.047 0.20568E+04 94 jadeite 2.20 -0.15 -2.34 -0.234 0.46674E+04 96 kalsilite 5.03 1.56 -3.47 -0.496 0.69109E+04 97 kaolinite -4.43 -6.59 -2.16 -0.197 0.43056E+04 98 kyanite 0.26 -4.00 -4.26 -0.426 0.84841E+04 100 laumontite -1.03 -2.12 -1.09 -0.073 0.21695E+04 101 lawsonite 4.82 3.07 -1.76 -0.117 0.34958E+04 102 leucite 1.88 -1.04 -2.92 -0.292 0.58061E+04 104 lizardite 18.73 16.89 -1.84 -0.154 0.36693E+04 105 magnesite -0.49 -2.61 -2.12 -0.708 0.42268E+04 108 minnesotaite-Mg 16.00 11.70 -4.31 -0.253 0.85725E+04 119 muscovite -2.84 -5.04 -2.19 -0.129 0.43646E+04 120 paragonite -1.55 -4.14 -2.59 -0.152 0.51596E+04 121 nepheline 5.54 2.45 -3.09 -0.441 0.61514E+04 133 phlogopite-Na 22.10 19.33 -2.77 -0.154 0.55133E+04 135 prehnite 12.45 10.13 -2.32 -0.136 0.46175E+04 136 prehnite-Fe 16.34 11.35 -4.99 -0.300 0.99417E+04 141 pyrite -19.94 -22.29 -2.35 -0.552 0.46722E+04 142 pyrrhotite -4.84 -8.99 -4.15 -1.384 0.82663E+04 143 pyrrhotiteFe0.875 -6.29 -9.53 -3.24 -1.190 0.64453E+04 144 pyroxmangite 5.92 2.40 -3.52 -0.705 0.70148E+04 145 pyrophyllite -8.94 -11.78 -2.84 -0.178 0.56555E+04 151 rhodochrosite -1.65 -4.98 -3.33 -1.109 0.66235E+04 152 rhodonite 5.95 2.40 -3.55 -0.711 0.70768E+04 153 sanidine -2.59 -3.63 -1.04 -0.080 0.20682E+04 155 siderite -3.33 -8.20 -4.86 -1.621 0.96823E+04 156 sillimanite 0.50 -4.00 -4.50 -0.450 0.89572E+04 163 stilbite -9.19 -9.90 -0.71 -0.034 0.14183E+04 165 stilpnomelane-Mg 17.75 17.06 -0.69 -0.020 0.13672E+04 169 sulfur -8.73 -13.29 -4.57 -1.405 0.90931E+04 171 talc 12.52 11.70 -0.82 -0.048 0.16321E+04 178 topaz-H 0.52 -4.00 -4.52 -0.411 0.89977E+04 179 tridymite -2.32 -2.59 -0.28 -0.092 0.55225E+03 180 tremolite 37.58 35.36 -2.22 -0.060 0.44187E+04 182 troilite-low -4.93 -8.99 -4.06 -1.354 0.80900E+04 188 wairakite -0.66 -2.12 -1.45 -0.086 0.28969E+04 189 walstromite 9.61 7.07 -2.54 -0.508 0.50577E+04 190 wollastonite 8.71 7.07 -1.65 -0.330 0.32812E+04 191 pseudo-wollastonite 9.14 7.07 -2.07 -0.415 0.41275E+04 192 zoisite 13.31 9.43 -3.88 -0.176 0.77297E+04 193 beidellite-Ca -5.77 -9.56 -3.79 -0.234 0.75440E+04 194 beidellite-H -6.28 -11.15 -4.87 -0.311 0.96996E+04 195 beidellite-K -5.40 -9.55 -4.15 -0.254 0.82607E+04 196 beidellite-Mg -5.96 -9.94 -3.98 -0.246 0.79177E+04 197 beidellite-Na -5.30 -9.26 -3.96 -0.242 0.78849E+04 200 chalcedony -2.43 -2.59 -0.16 -0.054 0.31969E+03 201 chalcocite -23.92 -24.83 -0.91 -0.228 0.18120E+04 202 covellite -17.43 -19.06 -1.63 -0.622 0.32522E+04 204 montmorillonite-Ca -5.26 -7.52 -2.27 -0.140 0.45169E+04 205 montmorillonite-K -4.98 -7.52 -2.54 -0.155 0.50537E+04 206 montmorillonite-Mg -5.48 -7.90 -2.42 -0.150 0.48182E+04 207 montmorillonite-Na -4.83 -7.22 -2.39 -0.147 0.47661E+04 229 tobermorite 8.97 5.45 -3.52 -0.960 0.70047E+04 235 alabandite -1.83 -5.78 -3.94 -1.314 0.78503E+04 240 boehmite 1.93 -0.70 -2.63 -0.438 0.52329E+04 242 chalcopyrite -26.07 -28.06 -1.99 -0.371 0.39671E+04 245 copper,native -2.05 -5.77 -3.72 -1.295 0.74130E+04 246 dolomite,disordered -0.82 -2.93 -2.10 -0.351 0.41889E+04 248 fluorite -10.37 -12.11 -1.74 -0.581 0.34735E+04 257 silica-amorphous -1.89 -2.59 -0.71 -0.235 0.14056E+04 261 wurtzite -8.45 -10.02 -1.57 -0.524 0.31278E+04 263 an20ab80 -0.54 -1.58 -1.03 -0.079 0.20578E+04 264 an25ab75 -0.15 -1.29 -1.14 -0.088 0.22701E+04 265 an30ab70 0.26 -1.00 -1.25 -0.096 0.24939E+04 Calculations done for 162.0000 Deg. C; 6.4684 bar Enthalpies: Pure water 2.9585 kcal/mole H2O,gas 11.9368 kcal/mole CO2,gas 1.6860 kcal/mole CH4,gas 1.6363 kcal/mole Current solution 121.4424 Gas 175.0881 kcal Total current enthalpy 296.5306 kcal Starting enthalpy 296.5306 kcal Temperature changed by -2.000 degrees to 160.000 degrees C. Solids and gases carried ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ Test file for CHIM-XPT. Boil Broadlands Water Water similar to Broadlands Well No. 2 CHIMRUN demo-2a ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ Number of loops used = 9 Loop limit = 200 Temperature = 160.00 C Pressure = 6.15 bar Mixer fraction = 0.0000000 Total current enthalpy = 296.5306 KCAL Water: Moles liquid = 0.4086E+02 kg liquid = 0.7361E+00 Moles total = 0.5551E+02 kg total = 0.1000E+01 Activity = 1.0000 Stoichiometric ionic strength = .4567342E-01 Osmotic coef. = 0.9252 True ionic strength = .4471629E-01 Chg. balance for total moles = 0.2402E-07 Max. difference allowed = 0.3072E-05 Log Log Log Species(n) Molality Molality Activity Activity Gamma Gamma 1 H+ 0.67993E-07 -7.1675 0.51792E-07 -7.2857 0.76173E+00 -0.1182 2 H2O 0.99999E+00 -0.0000 0.99999E+00 -0.0000 3 Cl- 0.41079E-01 -1.3864 0.30930E-01 -1.5096 0.75294E+00 -0.1232 4 SO4-- 0.14462E-05 -5.8398 0.50202E-06 -6.2993 0.34714E+00 -0.4595 5 HCO3- 0.26609E-02 -2.5750 0.20123E-02 -2.6963 0.75627E+00 -0.1213 6 HS- 0.41971E-03 -3.3771 0.31616E-03 -3.5001 0.75329E+00 -0.1230 7 H4SiO4 0.24849E-02 -2.6047 0.24849E-02 -2.6047 0.10000E+01 0.0000 8 Al+++ 0.33834E-21 -21.4706 0.30904E-22 -22.5100 0.91340E-01 -1.0393 9 Ca++ 0.38883E-04 -4.4102 0.13251E-04 -4.8777 0.34080E+00 -0.4675 10 Mg++ 0.20398E-06 -6.6904 0.68622E-07 -7.1635 0.33642E+00 -0.4731 11 Fe++ 0.37229E-12 -12.4291 0.12564E-12 -12.9009 0.33748E+00 -0.4717 12 K+ 0.50367E-02 -2.2979 0.38130E-02 -2.4187 0.75704E+00 -0.1209 13 Na+ 0.39547E-01 -1.4029 0.29775E-01 -1.5261 0.75291E+00 -0.1233 14 Mn++ 0.82789E-09 -9.0820 0.28006E-09 -9.5527 0.33828E+00 -0.4707 15 Zn++ 0.45346E-13 -13.3435 0.15304E-13 -13.8152 0.33748E+00 -0.4717 16 Cu+ 0.60375E-14 -14.2191 0.45450E-14 -14.3425 0.75279E+00 -0.1233 17 Pb++ 0.56264E-14 -14.2498 0.19330E-14 -14.7138 0.34356E+00 -0.4640 18 Hg++ 0.52784E-37 -37.2775 0.18065E-37 -37.7432 0.34225E+00 -0.4657 19 F- 0.32688E-03 -3.4856 0.24427E-03 -3.6121 0.74729E+00 -0.1265 21 HSiO3- 0.89571E-04 -4.0478 0.67442E-04 -4.1711 0.75294E+00 -0.1232 22 Ca(HSiO3)+ 0.83337E-07 -7.0792 0.63128E-07 -7.1998 0.75749E+00 -0.1206 23 Mg(HSiO3)+ 0.42156E-09 -9.3751 0.31933E-09 -9.4958 0.75749E+00 -0.1206 24 NaHSiO3,aq 0.21642E-04 -4.6647 0.21642E-04 -4.6647 0.10000E+01 0.0000 27 HAlO2,aq 0.24302E-08 -8.6144 0.24302E-08 -8.6144 0.10000E+01 0.0000 28 AlO2- 0.58157E-06 -6.2354 0.43509E-06 -6.3614 0.74812E+00 -0.1260 29 CH4,aq 0.12619E-05 -5.8990 0.12442E-05 -5.9051 0.98597E+00 -0.0061 34 CO,aq 0.41115E-10 -10.3860 0.41115E-10 -10.3860 0.10000E+01 0.0000 35 CO2,aq 0.58273E-03 -3.2345 0.57455E-03 -3.2407 0.98597E+00 -0.0061 36 CO3-2 0.64480E-05 -5.1906 0.22257E-05 -5.6525 0.34518E+00 -0.4619 37 CaCO3,aq 0.20357E-05 -5.6913 0.20357E-05 -5.6913 0.10000E+01 0.0000 38 Ca(HCO3)+ 0.31187E-05 -5.5060 0.23624E-05 -5.6266 0.75749E+00 -0.1206 39 CaCl+ 0.32965E-05 -5.4819 0.24971E-05 -5.6026 0.75749E+00 -0.1206 40 CaCl2,aq 0.22334E-07 -7.6510 0.22334E-07 -7.6510 0.10000E+01 0.0000 41 CaF+ 0.24395E-06 -6.6127 0.18479E-06 -6.7333 0.75749E+00 -0.1206 42 CaOH+ 0.69043E-06 -6.1609 0.52300E-06 -6.2815 0.75749E+00 -0.1206 43 CaSO4,aq 0.67120E-08 -8.1731 0.67120E-08 -8.1731 0.10000E+01 0.0000 44 HCl,aq 0.56277E-09 -9.2497 0.56277E-09 -9.2497 0.10000E+01 0.0000 61 HF,aq 0.34800E-06 -6.4584 0.34800E-06 -6.4584 0.10000E+01 0.0000 62 HF2- 0.39016E-10 -10.4088 0.29377E-10 -10.5320 0.75294E+00 -0.1232 76 H2,aq 0.21205E-05 -5.6736 0.20908E-05 -5.6797 0.98597E+00 -0.0061 90 KCl,aq 0.81351E-05 -5.0896 0.81351E-05 -5.0896 0.10000E+01 0.0000 92 KOH,aq 0.28077E-06 -6.5516 0.28077E-06 -6.5516 0.10000E+01 0.0000 93 KSO4- 0.10002E-06 -6.9999 0.75306E-07 -7.1232 0.75294E+00 -0.1232 94 MgCO3,aq 0.18267E-08 -8.7383 0.18267E-08 -8.7383 0.10000E+01 0.0000 95 Mg(HCO3)+ 0.16194E-07 -7.7907 0.12267E-07 -7.9113 0.75749E+00 -0.1206 96 MgCl+ 0.11701E-07 -7.9318 0.88635E-08 -8.0524 0.75749E+00 -0.1206 97 MgF+ 0.40850E-08 -8.3888 0.30944E-08 -8.5094 0.75749E+00 -0.1206 98 MgOH+ 0.14007E-07 -7.8537 0.10610E-07 -7.9743 0.75749E+00 -0.1206 101 MnO,aq 0.17611E-10 -10.7542 0.17611E-10 -10.7542 0.10000E+01 0.0000 102 MnOH+ 0.28236E-09 -9.5492 0.21388E-09 -9.6698 0.75749E+00 -0.1206 107 MnCl+ 0.46607E-09 -9.3315 0.35305E-09 -9.4522 0.75749E+00 -0.1206 109 NaCl,aq 0.64168E-03 -3.1927 0.64168E-03 -3.1927 0.10000E+01 0.0000 110 NaF,aq 0.38502E-05 -5.4145 0.38502E-05 -5.4145 0.10000E+01 0.0000 111 NaOH,aq 0.17194E-05 -5.7646 0.17194E-05 -5.7646 0.10000E+01 0.0000 113 OH- 0.74219E-04 -4.1295 0.55525E-04 -4.2555 0.74812E+00 -0.1260 124 Pb(HS)2,aq 0.52929E-09 -9.2763 0.52929E-09 -9.2763 0.10000E+01 0.0000 126 H2S,aq 0.64576E-04 -4.1899 0.63670E-04 -4.1961 0.98597E+00 -0.0061 127 S2-2 0.73571E-10 -10.1333 0.25396E-10 -10.5952 0.34518E+00 -0.4619 135 HSO4- 0.25378E-09 -9.5955 0.19270E-09 -9.7151 0.75931E+00 -0.1196 154 ZnOH+ 0.63630E-10 -10.1963 0.48200E-10 -10.3170 0.75749E+00 -0.1206 164 Cu(HS)2- 0.29826E-07 -7.5254 0.22457E-07 -7.6486 0.75294E+00 -0.1232 166 CuH4S3-b 0.49565E-09 -9.3048 0.37319E-09 -9.4281 0.75294E+00 -0.1232 179 MgSO4,aq 0.13564E-09 -9.8676 0.13564E-09 -9.8676 0.10000E+01 0.0000 180 MnCl2,aq 0.58724E-10 -10.2312 0.58724E-10 -10.2312 0.10000E+01 0.0000 182 MnCO3,aq 0.20506E-08 -8.6881 0.20506E-08 -8.6881 0.10000E+01 0.0000 183 NaCO3- 0.22643E-05 -5.6451 0.17049E-05 -5.7683 0.75294E+00 -0.1232 184 NaHCO3,aq 0.31912E-04 -4.4960 0.31912E-04 -4.4960 0.10000E+01 0.0000 185 NaHS,aq 0.50138E-05 -5.2998 0.50138E-05 -5.2998 0.10000E+01 0.0000 186 NaSO4- 0.28908E-06 -6.5390 0.21766E-06 -6.6622 0.75294E+00 -0.1232 187 PbCO3,aq 0.10272E-09 -9.9883 0.10272E-09 -9.9883 0.10000E+01 0.0000 193 Zn(HS)2,aq 0.36026E-08 -8.4434 0.36026E-08 -8.4434 0.10000E+01 0.0000 194 Zn(HS)3- 0.11370E-09 -9.9442 0.85611E-10 -10.0675 0.75294E+00 -0.1232 Charge balance for all species = 0.3263E-07 Component Molality Aq.molality ppm log[A(N)/A(H+)**Z] (total) 1 H+ 0.6799283E-07 0.4458850E-03 0.4480524E+00 0.0000 2 H2O 0.1000000E+01 0.5550764E+02 0.9969319E+06 0.0000 3 Cl- 0.4107901E-01 0.4173217E-01 0.1475011E+04 5.7761 4 SO4-- 0.1446169E-05 0.5037286E-07 0.4824115E-02 8.2722 5 HCO3- 0.2660855E-02 0.3290644E-02 0.2001725E+03 4.5894 6 HS- 0.4197093E-03 0.4911612E-03 0.1619406E+02 3.7856 7 H4SiO4 0.2484905E-02 0.2596202E-02 0.2487727E+03 -2.6047 8 Al+++ 0.3383405E-21 0.5840052E-06 0.1570920E-01 -0.6528 9 Ca++ 0.3888255E-04 0.4838026E-04 0.1933060E+01 9.6937 10 Mg++ 0.2039776E-06 0.2523480E-06 0.6116341E-02 7.4079 11 Fe++ 0.3722944E-12 0.2013187E-11 0.1120870E-06 1.6706 12 K+ 0.5036670E-02 0.5045186E-02 0.1966742E+03 4.8670 13 Na+ 0.3954693E-01 0.4025530E-01 0.9226340E+03 5.7596 14 Mn++ 0.8278921E-09 0.3715937E-08 0.2035225E-03 5.0187 15 Zn++ 0.4534628E-13 0.3785874E-08 0.2467266E-03 0.7563 16 Cu+ 0.6037523E-14 0.3032315E-07 0.1920847E-02 -7.0567 17 Pb++ 0.5626361E-14 0.6401375E-09 0.1322249E-03 -0.1423 18 Hg++ 0.5278408E-37 0.6522360E-11 0.1304323E-05 -23.1717 19 F- 0.3268753E-03 0.3313216E-03 0.6275219E+01 3.6736 Component Tot moles Aq. moles Solid moles Gas moles 1 H+ 0.1822172E+00 0.3282279E-03 -.7420966E-05 0.1818964E+00 2 H2O 0.5550825E+02 0.4086066E+02 -.1188470E-01 0.1465948E+02 3 Cl- 0.3072017E-01 0.3072017E-01 0.0000000E+00 0.6790326E-10 4 SO4-- -.4257700E-02 0.3708081E-07 0.1001311E-08 -.4257738E-02 5 HCO3- 0.1832100E+00 0.2422331E-02 0.0000000E+00 0.1807877E+00 6 HS- 0.9985820E-02 0.3615569E-03 0.5418252E-07 0.9624209E-02 7 H4SiO4 0.7855346E-02 0.1911134E-02 0.5944212E-02 0.0000000E+00 8 Al+++ 0.2253680E-05 0.4299018E-06 0.1823778E-05 0.0000000E+00 9 Ca++ 0.3561400E-04 0.3561400E-04 0.0000000E+00 0.0000000E+00 10 Mg++ 0.2355503E-06 0.1857601E-06 0.4979021E-07 0.0000000E+00 11 Fe++ 0.8017372E-08 0.1481961E-11 0.8015890E-08 0.0000000E+00 12 K+ 0.3715700E-02 0.3713896E-02 0.1803858E-05 0.0000000E+00 13 Na+ 0.2963300E-01 0.2963300E-01 0.0000000E+00 0.0000000E+00 14 Mn++ 0.2740424E-08 0.2735400E-08 0.5023272E-11 0.0000000E+00 15 Zn++ 0.1530000E-07 0.2786883E-08 0.1251312E-07 0.0000000E+00 16 Cu+ 0.6237410E-07 0.2232168E-07 0.4005242E-07 0.0000000E+00 17 Pb++ 0.1110000E-07 0.4712223E-09 0.1062878E-07 0.0000000E+00 18 Hg++ 0.4000000E-08 0.4801284E-11 0.0000000E+00 0.3995199E-08 19 F- 0.2439100E-03 0.2438947E-03 0.0000000E+00 0.1528757E-07 Chg. balance for solid moles: 0.1195E-16 Mass of aqueous solution: 0.738382E+03 g Temperature = 160.00 C Pressure = 6.15 bar Mixer frac. = 0.0000000 Log Log Vol Gas or mineral Moles Moles Grams Grams Wt.% (cm3) H2O,gas 14.83 1.171 267.1 2.427 97.07 0.8248E+05 CO2,gas 0.1777 -0.750 7.819 0.893 2.842 1063. CH4,gas 0.3126E-02 -2.505 0.5015E-01 -1.300 0.1823E-01 19.16 H2,gas 0.4525E-02 -2.344 0.9141E-02 -2.039 0.3322E-02 26.59 H2S,gas 0.5366E-02 -2.270 0.1829 -0.738 0.6647E-01 30.94 CO,gas 0.9568E-07 -7.019 0.2680E-05 -5.572 0.9741E-06 0.5606E-03 SO2,gas 0.3466E-14 -14.460 0.2220E-12 -12.654 0.8070E-13 0.2031E-10 HF,gas 0.1529E-07 -7.816 0.3058E-06 -6.515 0.1111E-06 0.8956E-04 HCl,gas 0.6790E-10 -10.168 0.2476E-08 -8.606 0.8998E-09 0.3978E-06 Hg,gas 0.3995E-08 -8.398 0.8014E-06 -6.096 0.2913E-06 0.2341E-04 clinochlore 0.9958E-08 -8.002 0.5535E-05 -5.257 0.1549E-02 0.2105E-05 daphnite 0.1081E-11 -11.966 0.7714E-09 -9.113 0.2159E-06 0.2338E-09 chlorite-Mn 0.1005E-11 -11.998 0.7123E-09 -9.147 0.1993E-06 0.2270E-09 microcline 0.1804E-05 -5.744 0.5021E-03 -3.299 0.1405 0.1961E-03 quartz 0.5939E-02 -2.226 0.3568 -0.448 99.86 0.1347 bornite 0.8010E-08 -8.096 0.4020E-05 -5.396 0.1125E-02 0.7908E-06 galena 0.1063E-07 -7.974 0.2543E-05 -5.595 0.7117E-03 0.3347E-06 sphalerite 0.1251E-07 -7.903 0.1219E-05 -5.914 0.3412E-03 0.2982E-06 Partial press. Fugacity coef Log fugacity Gas or Mineral Mole fraction or activity Activity coef Log activity H2O,gas 0.9873E+00 0.6069E+01 0.9517 0.762 CO2,gas 0.1183E-01 0.7271E-01 1.0174 -1.131 CH4,gas 0.2081E-03 0.1280E-02 1.0446 -2.874 H2,gas 0.3013E-03 0.1852E-02 1.0028 -2.731 H2S,gas 0.3573E-03 0.2196E-02 0.9843 -2.665 CO,gas 0.6370E-08 0.3916E-07 1.0000 -7.407 SO2,gas 0.2308E-15 0.1419E-14 1.0000 -14.848 HF,gas 0.1018E-08 0.6257E-08 1.0000 -8.204 HCl,gas 0.4521E-11 0.2779E-10 1.0000 -10.556 Hg,gas 0.2660E-09 0.1635E-08 1.0000 -8.786 clinochlore 0.9998E+00 0.9998E+00 1.0000 -0.000 daphnite 0.1085E-03 0.1085E-03 1.0000 -3.964 chlorite-Mn 0.1009E-03 0.1009E-03 1.0000 -3.996 microcline 0.1000E+01 0.1000E+01 1.0000 0.000 quartz 0.1000E+01 0.1000E+01 1.0000 0.000 bornite 0.1000E+01 0.1000E+01 1.0000 0.000 galena 0.1000E+01 0.1000E+01 1.0000 0.000 sphalerite 0.1000E+01 0.1000E+01 1.0000 0.000 Current weight percent of gas: 27.137356 % Solid products produced: Mass = 0.357317 g Volume = 0.134943 cm3 WARNING: mineral volume may be in error because some mineral densities were not supplied in SOLTHERM. See mineral list in file Skip_Species.txt. NON-Ideal mixing with H2O, CO2, CH4 Gases ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ The following gases and minerals are presently in matrix or were just added Gas or Mineral Log K Log Q Log(Q/K) Log(Q/K)/S Affinity Log Fugacity 1 H2O,gas 0.03 0.03 -0.00 -0.000 0.33691E-09 2 CO2,gas -8.06 -8.06 0.00 0.000 -0.14435E-09 3 CH4,gas 3.77 3.77 0.00 0.000 -0.30631E-09 4 H2,gas 6.04 6.04 0.00 0.000 -0.19364E-10 5 H2S,gas -7.33 -7.33 -0.00 -0.000 0.10210E-09 6 CO,gas 0.74 0.74 -0.00 -0.000 0.44010E-12 7 SO2,gas -2.71 -2.71 0.00 0.000 -0.88020E-12 8 HF,gas -1.91 -1.91 0.00 0.000 -0.35208E-11 9 HCl,gas 2.55 2.55 -0.00 -0.000 0.88020E-12 10 Hg,gas -11.08 -11.08 0.00 0.000 0.00000E+00 43 clinochlore 27.92 27.92 0.00 0.000 0.00000E+00 44 daphnite 19.06 19.06 -0.00 -0.000 0.14083E-10 45 chlorite-Mn 35.96 35.96 0.00 0.000 0.00000E+00 115 microcline -3.60 -3.60 0.00 0.000 0.00000E+00 146 quartz -2.60 -2.60 0.00 0.000 0.00000E+00 198 bornite -78.02 -78.02 0.00 0.000 0.00000E+00 249 galena -10.93 -10.93 0.00 0.000 -0.35208E-11 260 sphalerite -10.03 -10.03 -0.00 -0.000 0.70416E-11 The following gases and minerals are presently EXCLUDED from matrix (Gases and minerals with log(Q/K) less than -5 are not listed below) Gas or Mineral Log K Log Q Log(Q/K) Log(Q/K)/S Affinity Log Fugacity 15 albite-high -1.17 -2.71 -1.54 -0.118 0.30449E+04 16 albite -1.98 -2.71 -0.73 -0.056 0.14476E+04 20 analcite 1.33 -0.10 -1.44 -0.160 0.28489E+04 21 andalusite 0.43 -3.91 -4.34 -0.434 0.86015E+04 23 grossular 23.94 19.96 -3.98 -0.199 0.78901E+04 24 anhydrite -6.44 -11.18 -4.74 -2.368 0.93873E+04 25 ankerite -3.64 -8.60 -4.96 -0.827 0.98365E+04 27 phlogopite 20.27 18.62 -1.64 -0.091 0.32575E+04 29 anorthite 6.63 3.18 -3.45 -0.265 0.68406E+04 32 aragonite 0.14 -0.29 -0.43 -0.142 0.84727E+03 33 brucite 10.49 7.41 -3.08 -0.617 0.61099E+04 34 calcite -0.02 -0.29 -0.27 -0.091 0.53886E+03 35 carnegieite-low 6.22 2.50 -3.72 -0.532 0.73773E+04 36 carnegieite-high 7.03 2.50 -4.53 -0.647 0.89780E+04 37 carpholite-Mg 3.57 0.89 -2.68 -0.179 0.53137E+04 39 celadonite 2.99 1.20 -1.79 -0.105 0.35427E+04 41 chrysotile 19.32 17.01 -2.31 -0.192 0.45712E+04 46 chlorite-Al-free 38.17 34.03 -4.15 -0.173 0.82163E+04 47 chloritoid-Mg 7.26 3.50 -3.76 -0.251 0.74598E+04 49 chloritoid-Mn 6.05 1.11 -4.94 -0.329 0.97956E+04 51 coesite -2.06 -2.60 -0.54 -0.180 0.10720E+04 56 corundum 3.38 -1.31 -4.68 -0.426 0.92782E+04 58 cristobalite -2.28 -2.60 -0.32 -0.107 0.63567E+03 61 cymrite-K 0.08 -3.60 -3.68 -0.307 0.72993E+04 63 diaspore 0.79 -0.65 -1.45 -0.241 0.28654E+04 64 diamond -2.42 -4.94 -2.52 -0.719 0.49892E+04 65 diopside 13.07 11.89 -1.18 -0.118 0.23351E+04 67 dolomite,ordered -1.28 -2.86 -1.58 -0.264 0.31358E+04 69 enstatite 13.54 9.61 -3.94 -0.394 0.78030E+04 70 clinoenstatite-HiP 14.49 9.61 -4.88 -0.488 0.96756E+04 71 clinoenstatite 13.46 9.61 -3.85 -0.385 0.76393E+04 72 protoenstatite 13.99 9.61 -4.38 -0.438 0.86906E+04 74 clinozoisite 13.54 9.62 -3.92 -0.178 0.77759E+04 78 forsterite 16.78 12.21 -4.57 -0.652 0.90526E+04 81 gibbsite 2.04 -0.65 -2.70 -0.385 0.53463E+04 82 glaucophane 15.46 11.60 -3.86 -0.104 0.76524E+04 84 goethite 5.00 0.41 -4.59 -0.993 0.91065E+04 85 graphite -2.83 -4.94 -2.10 -0.601 0.41719E+04 88 halite 1.41 -3.04 -4.44 -2.221 0.88044E+04 90 heulandite -8.78 -9.84 -1.06 -0.048 0.21040E+04 94 jadeite 2.25 -0.10 -2.36 -0.236 0.46714E+04 96 kalsilite 5.10 1.61 -3.49 -0.498 0.69134E+04 97 kaolinite -4.34 -6.51 -2.17 -0.198 0.43064E+04 98 kyanite 0.39 -3.91 -4.30 -0.430 0.85305E+04 100 laumontite -0.92 -2.03 -1.11 -0.074 0.22007E+04 101 lawsonite 4.96 3.18 -1.78 -0.119 0.35279E+04 102 leucite 1.94 -1.00 -2.94 -0.294 0.58178E+04 104 lizardite 18.85 17.01 -1.84 -0.153 0.36416E+04 105 magnesite -0.46 -2.57 -2.12 -0.706 0.41983E+04 108 minnesotaite-Mg 16.13 11.81 -4.32 -0.254 0.85717E+04 119 muscovite -2.69 -4.91 -2.21 -0.130 0.43891E+04 120 paragonite -1.39 -4.01 -2.62 -0.154 0.51992E+04 121 nepheline 5.61 2.50 -3.11 -0.445 0.61691E+04 133 phlogopite-Na 22.31 19.52 -2.79 -0.155 0.55369E+04 135 prehnite 12.65 10.27 -2.38 -0.140 0.47165E+04 141 pyrite -19.97 -22.42 -2.45 -0.577 0.48606E+04 142 pyrrhotite -4.82 -9.12 -4.29 -1.431 0.85082E+04 143 pyrrhotiteFe0.875 -6.28 -9.64 -3.36 -1.234 0.66522E+04 144 pyroxmangite 5.96 2.41 -3.55 -0.710 0.70322E+04 145 pyrophyllite -8.86 -11.72 -2.86 -0.179 0.56776E+04 151 rhodochrosite -1.63 -4.96 -3.33 -1.110 0.66026E+04 152 rhodonite 5.99 2.41 -3.58 -0.716 0.70948E+04 153 sanidine -2.56 -3.60 -1.04 -0.080 0.20681E+04 155 siderite -3.31 -8.31 -5.00 -1.667 0.99096E+04 156 sillimanite 0.64 -3.91 -4.55 -0.455 0.90093E+04 163 stilbite -9.14 -9.84 -0.70 -0.033 0.13921E+04 165 stilpnomelane-Mg 18.01 17.33 -0.68 -0.020 0.13556E+04 169 sulfur -8.74 -13.31 -4.57 -1.407 0.90616E+04 171 talc 12.63 11.81 -0.82 -0.048 0.16289E+04 178 topaz-H 0.64 -3.91 -4.55 -0.413 0.90126E+04 179 tridymite -2.32 -2.60 -0.28 -0.093 0.55449E+03 180 tremolite 37.86 35.59 -2.27 -0.061 0.45031E+04 182 troilite-low -4.91 -9.12 -4.20 -1.401 0.83294E+04 188 wairakite -0.53 -2.03 -1.50 -0.088 0.29643E+04 189 walstromite 9.66 7.09 -2.57 -0.514 0.50939E+04 190 wollastonite 8.76 7.09 -1.67 -0.335 0.33169E+04 191 pseudo-wollastonite 9.19 7.09 -2.10 -0.420 0.41654E+04 192 zoisite 13.58 9.62 -3.97 -0.180 0.78640E+04 193 beidellite-Ca -5.65 -9.48 -3.83 -0.237 0.75828E+04 194 beidellite-H -6.17 -11.08 -4.91 -0.313 0.97300E+04 195 beidellite-K -5.29 -9.47 -4.18 -0.256 0.82830E+04 196 beidellite-Mg -5.85 -9.86 -4.01 -0.248 0.79520E+04 197 beidellite-Na -5.19 -9.18 -3.99 -0.244 0.79125E+04 200 chalcedony -2.44 -2.60 -0.16 -0.054 0.31966E+03 201 chalcocite -24.03 -24.90 -0.87 -0.217 0.17227E+04 202 covellite -17.50 -19.10 -1.61 -0.612 0.31848E+04 204 montmorillonite-Ca -5.17 -7.46 -2.29 -0.142 0.45426E+04 205 montmorillonite-K -4.90 -7.46 -2.56 -0.156 0.50653E+04 206 montmorillonite-Mg -5.40 -7.84 -2.44 -0.151 0.48393E+04 207 montmorillonite-Na -4.75 -7.16 -2.41 -0.148 0.47807E+04 229 tobermorite 8.99 5.47 -3.52 -0.961 0.69837E+04 235 alabandite -1.81 -5.77 -3.96 -1.320 0.78499E+04 240 boehmite 2.00 -0.65 -2.65 -0.441 0.52494E+04 242 chalcopyrite -26.13 -28.22 -2.09 -0.389 0.41418E+04 245 copper,native -2.07 -5.80 -3.72 -1.294 0.73764E+04 246 dolomite,disordered -0.76 -2.86 -2.10 -0.351 0.41682E+04 248 fluorite -10.35 -12.10 -1.75 -0.584 0.34701E+04 257 silica-amorphous -1.89 -2.60 -0.71 -0.237 0.14095E+04 261 wurtzite -8.45 -10.03 -1.58 -0.526 0.31279E+04 263 an20ab80 -0.47 -1.53 -1.06 -0.081 0.20949E+04 264 an25ab75 -0.07 -1.24 -1.17 -0.090 0.23113E+04 265 an30ab70 0.34 -0.94 -1.28 -0.099 0.25394E+04 Calculations done for 160.0000 Deg. C; 6.1471 bar Enthalpies: Pure water 2.9208 kcal/mole H2O,gas 11.9279 kcal/mole CO2,gas 1.6572 kcal/mole CH4,gas 1.6079 kcal/mole Current solution 119.3459 Gas 177.1847 kcal Total current enthalpy 296.5306 kcal Starting enthalpy 296.5306 kcal Temperature changed by -2.000 degrees to 158.000 degrees C. Solids and gases carried ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ Test file for CHIM-XPT. Boil Broadlands Water Water similar to Broadlands Well No. 2 CHIMRUN demo-2a ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ Number of loops used = 9 Loop limit = 200 Temperature = 158.00 C Pressure = 5.84 bar Mixer fraction = 0.0000000 Total current enthalpy = 296.5306 KCAL Water: Moles liquid = 0.4068E+02 kg liquid = 0.7328E+00 Moles total = 0.5551E+02 kg total = 0.1000E+01 Activity = 1.0000 Stoichiometric ionic strength = .4586185E-01 Osmotic coef. = 0.9256 True ionic strength = .4493485E-01 Chg. balance for total moles = 0.2402E-07 Max. difference allowed = 0.3072E-05 Log Log Log Species(n) Molality Molality Activity Activity Gamma Gamma 1 H+ 0.65745E-07 -7.1821 0.50138E-07 -7.2998 0.76261E+00 -0.1177 2 H2O 0.99999E+00 -0.0000 0.99999E+00 -0.0000 3 Cl- 0.41280E-01 -1.3843 0.31117E-01 -1.5070 0.75382E+00 -0.1227 4 SO4-- 0.15441E-05 -5.8113 0.53838E-06 -6.2689 0.34867E+00 -0.4576 5 HCO3- 0.26800E-02 -2.5719 0.20291E-02 -2.6927 0.75712E+00 -0.1208 6 HS- 0.41562E-03 -3.3813 0.31344E-03 -3.5038 0.75416E+00 -0.1225 7 H4SiO4 0.24202E-02 -2.6161 0.24202E-02 -2.6161 0.10000E+01 0.0000 8 Al+++ 0.34072E-21 -21.4676 0.31439E-22 -22.5025 0.92272E-01 -1.0349 9 Ca++ 0.39284E-04 -4.4058 0.13449E-04 -4.8713 0.34234E+00 -0.4655 10 Mg++ 0.21401E-06 -6.6696 0.72332E-07 -7.1407 0.33798E+00 -0.4711 11 Fe++ 0.27233E-12 -12.5649 0.92331E-13 -13.0347 0.33904E+00 -0.4697 12 K+ 0.50600E-02 -2.2959 0.38348E-02 -2.4163 0.75788E+00 -0.1204 13 Na+ 0.39741E-01 -1.4008 0.29956E-01 -1.5235 0.75378E+00 -0.1228 14 Mn++ 0.82152E-09 -9.0854 0.27918E-09 -9.5541 0.33984E+00 -0.4687 15 Zn++ 0.43455E-13 -13.3620 0.14733E-13 -13.8317 0.33904E+00 -0.4697 16 Cu+ 0.55162E-14 -14.2584 0.41574E-14 -14.3812 0.75366E+00 -0.1228 17 Pb++ 0.50914E-14 -14.2932 0.17570E-14 -14.7552 0.34510E+00 -0.4621 18 Hg++ 0.43083E-37 -37.3657 0.14811E-37 -37.8294 0.34379E+00 -0.4637 19 F- 0.32849E-03 -3.4835 0.24579E-03 -3.6094 0.74824E+00 -0.1260 21 HSiO3- 0.89651E-04 -4.0474 0.67580E-04 -4.1702 0.75382E+00 -0.1227 22 Ca(HSiO3)+ 0.81167E-07 -7.0906 0.61551E-07 -7.2108 0.75832E+00 -0.1201 23 Mg(HSiO3)+ 0.42981E-09 -9.3667 0.32593E-09 -9.4869 0.75832E+00 -0.1201 24 NaHSiO3,aq 0.21962E-04 -4.6583 0.21962E-04 -4.6583 0.10000E+01 0.0000 27 HAlO2,aq 0.23022E-08 -8.6379 0.23022E-08 -8.6379 0.10000E+01 0.0000 28 AlO2- 0.54467E-06 -6.2639 0.40799E-06 -6.3894 0.74906E+00 -0.1255 29 CH4,aq 0.11727E-05 -5.9308 0.11562E-05 -5.9370 0.98593E+00 -0.0062 34 CO,aq 0.34903E-10 -10.4571 0.34903E-10 -10.4571 0.10000E+01 0.0000 35 CO2,aq 0.54757E-03 -3.2616 0.53987E-03 -3.2677 0.98593E+00 -0.0062 36 CO3-2 0.68243E-05 -5.1659 0.23661E-05 -5.6260 0.34672E+00 -0.4600 37 CaCO3,aq 0.20663E-05 -5.6848 0.20663E-05 -5.6848 0.10000E+01 0.0000 38 Ca(HCO3)+ 0.30431E-05 -5.5167 0.23077E-05 -5.6368 0.75832E+00 -0.1201 39 CaCl+ 0.32048E-05 -5.4942 0.24303E-05 -5.6143 0.75832E+00 -0.1201 40 CaCl2,aq 0.21587E-07 -7.6658 0.21587E-07 -7.6658 0.10000E+01 0.0000 41 CaF+ 0.23678E-06 -6.6257 0.17956E-06 -6.7458 0.75832E+00 -0.1201 42 CaOH+ 0.65661E-06 -6.1827 0.49793E-06 -6.3028 0.75832E+00 -0.1201 43 CaSO4,aq 0.69899E-08 -8.1555 0.69899E-08 -8.1555 0.10000E+01 0.0000 44 HCl,aq 0.53168E-09 -9.2743 0.53168E-09 -9.2743 0.10000E+01 0.0000 61 HF,aq 0.32343E-06 -6.4902 0.32343E-06 -6.4902 0.10000E+01 0.0000 62 HF2- 0.36510E-10 -10.4376 0.27522E-10 -10.5603 0.75382E+00 -0.1227 76 H2,aq 0.19314E-05 -5.7141 0.19042E-05 -5.7203 0.98593E+00 -0.0062 90 KCl,aq 0.78838E-05 -5.1033 0.78838E-05 -5.1033 0.10000E+01 0.0000 92 KOH,aq 0.27496E-06 -6.5607 0.27496E-06 -6.5607 0.10000E+01 0.0000 93 KSO4- 0.10409E-06 -6.9826 0.78464E-07 -7.1053 0.75382E+00 -0.1227 94 MgCO3,aq 0.19479E-08 -8.7104 0.19479E-08 -8.7104 0.10000E+01 0.0000 95 Mg(HCO3)+ 0.16434E-07 -7.7843 0.12462E-07 -7.9044 0.75832E+00 -0.1201 96 MgCl+ 0.11918E-07 -7.9238 0.90377E-08 -8.0439 0.75832E+00 -0.1201 97 MgF+ 0.41355E-08 -8.3835 0.31361E-08 -8.5036 0.75832E+00 -0.1201 98 MgOH+ 0.13950E-07 -7.8554 0.10579E-07 -7.9756 0.75832E+00 -0.1201 101 MnO,aq 0.16186E-10 -10.7909 0.16186E-10 -10.7909 0.10000E+01 0.0000 102 MnOH+ 0.26956E-09 -9.5693 0.20442E-09 -9.6895 0.75832E+00 -0.1201 107 MnCl+ 0.43779E-09 -9.3587 0.33199E-09 -9.4789 0.75832E+00 -0.1201 109 NaCl,aq 0.63242E-03 -3.1990 0.63242E-03 -3.1990 0.10000E+01 0.0000 110 NaF,aq 0.37870E-05 -5.4217 0.37870E-05 -5.4217 0.10000E+01 0.0000 111 NaOH,aq 0.16953E-05 -5.7707 0.16953E-05 -5.7707 0.10000E+01 0.0000 113 OH- 0.73619E-04 -4.1330 0.55145E-04 -4.2585 0.74906E+00 -0.1255 124 Pb(HS)2,aq 0.47895E-09 -9.3197 0.47895E-09 -9.3197 0.10000E+01 0.0000 126 H2S,aq 0.60910E-04 -4.2153 0.60052E-04 -4.2215 0.98593E+00 -0.0062 127 S2-2 0.71727E-10 -10.1443 0.24870E-10 -10.6043 0.34672E+00 -0.4600 135 HSO4- 0.24592E-09 -9.6092 0.18693E-09 -9.7283 0.76013E+00 -0.1191 154 ZnOH+ 0.57473E-10 -10.2405 0.43583E-10 -10.3607 0.75832E+00 -0.1201 164 Cu(HS)2- 0.29908E-07 -7.5242 0.22545E-07 -7.6469 0.75382E+00 -0.1227 166 CuH4S3-b 0.53502E-09 -9.2716 0.40331E-09 -9.3944 0.75382E+00 -0.1227 179 MgSO4,aq 0.14668E-09 -9.8336 0.14668E-09 -9.8336 0.10000E+01 0.0000 180 MnCl2,aq 0.53467E-10 -10.2719 0.53467E-10 -10.2719 0.10000E+01 0.0000 182 MnCO3,aq 0.21240E-08 -8.6729 0.21240E-08 -8.6729 0.10000E+01 0.0000 183 NaCO3- 0.23622E-05 -5.6267 0.17807E-05 -5.7494 0.75382E+00 -0.1227 184 NaHCO3,aq 0.31358E-04 -4.5036 0.31358E-04 -4.5036 0.10000E+01 0.0000 185 NaHS,aq 0.48441E-05 -5.3148 0.48441E-05 -5.3148 0.10000E+01 0.0000 186 NaSO4- 0.30526E-06 -6.5153 0.23011E-06 -6.6381 0.75382E+00 -0.1227 187 PbCO3,aq 0.95727E-10 -10.0190 0.95727E-10 -10.0190 0.10000E+01 0.0000 193 Zn(HS)2,aq 0.32831E-08 -8.4837 0.32831E-08 -8.4837 0.10000E+01 0.0000 194 Zn(HS)3- 0.10390E-09 -9.9834 0.78322E-10 -10.1061 0.75382E+00 -0.1227 Charge balance for all species = 0.3278E-07 Component Molality Aq.molality ppm log[A(N)/A(H+)**Z] (total) 1 H+ 0.6574537E-07 0.4069908E-03 0.4089670E+00 -0.0000 2 H2O 0.1000000E+01 0.5550767E+02 0.9969274E+06 0.0000 3 Cl- 0.4127950E-01 0.4192307E-01 0.1481750E+04 5.7928 4 SO4-- 0.1544072E-05 0.3052475E-06 0.2923284E-01 8.3308 5 HCO3- 0.2680003E-02 0.3274421E-02 0.1991847E+03 4.6071 6 HS- 0.4156150E-03 0.4830936E-03 0.1592798E+02 3.7960 7 H4SiO4 0.2420200E-02 0.2531894E-02 0.2426094E+03 -2.6161 8 Al+++ 0.3407194E-21 0.5469717E-06 0.1471296E-01 -0.6030 9 Ca++ 0.3928415E-04 0.4860156E-04 0.1941893E+01 9.7283 10 Mg++ 0.2140108E-06 0.2629728E-06 0.6373831E-02 7.4590 11 Fe++ 0.2723291E-12 0.1418561E-11 0.7897996E-07 1.5650 12 K+ 0.5059958E-02 0.5068221E-02 0.1975711E+03 4.8836 13 Na+ 0.3974070E-01 0.4043944E-01 0.9268497E+03 5.7763 14 Mn++ 0.8215230E-09 0.3734195E-08 0.2045214E-03 5.0456 15 Zn++ 0.4345471E-13 0.3449802E-08 0.2248235E-03 0.7680 16 Cu+ 0.5516239E-14 0.3044443E-07 0.1928520E-02 -7.0813 17 Pb++ 0.5091418E-14 0.5818911E-09 0.1201931E-03 -0.1556 18 Hg++ 0.4308253E-37 0.6165706E-11 0.1232994E-05 -23.2297 19 F- 0.3284872E-03 0.3328385E-03 0.6303917E+01 3.6904 Component Tot moles Aq. moles Solid moles Gas moles 1 H+ 0.1822172E+00 0.2982326E-03 -.7526548E-05 0.1819265E+00 2 H2O 0.5550825E+02 0.4067462E+02 -.1199630E-01 0.1484563E+02 3 Cl- 0.3072017E-01 0.3072017E-01 0.0000000E+00 0.6235824E-10 4 SO4-- -.4257700E-02 0.2236777E-06 0.1001630E-08 -.4257925E-02 5 HCO3- 0.1832100E+00 0.2399414E-02 0.0000000E+00 0.1808106E+00 6 HS- 0.9985820E-02 0.3539988E-03 0.5449620E-07 0.9631766E-02 7 H4SiO4 0.7855346E-02 0.1855308E-02 0.6000037E-02 0.0000000E+00 8 Al+++ 0.2253680E-05 0.4008071E-06 0.1852873E-05 0.0000000E+00 9 Ca++ 0.3561400E-04 0.3561400E-04 0.0000000E+00 0.0000000E+00 10 Mg++ 0.2355503E-06 0.1926998E-06 0.4285044E-07 0.0000000E+00 11 Fe++ 0.8017372E-08 0.1039486E-11 0.8016332E-08 0.0000000E+00 12 K+ 0.3715700E-02 0.3713864E-02 0.1835730E-05 0.0000000E+00 13 Na+ 0.2963300E-01 0.2963300E-01 0.0000000E+00 0.0000000E+00 14 Mn++ 0.2740424E-08 0.2736324E-08 0.4099736E-11 0.0000000E+00 15 Zn++ 0.1530000E-07 0.2527928E-08 0.1277207E-07 0.0000000E+00 16 Cu+ 0.6237410E-07 0.2230891E-07 0.4006519E-07 0.0000000E+00 17 Pb++ 0.1110000E-07 0.4263951E-09 0.1067360E-07 0.0000000E+00 18 Hg++ 0.4000000E-08 0.4518074E-11 0.0000000E+00 0.3995482E-08 19 F- 0.2439100E-03 0.2438957E-03 0.0000000E+00 0.1430423E-07 Chg. balance for solid moles: -.4538E-18 Mass of aqueous solution: 0.735024E+03 g Temperature = 158.00 C Pressure = 5.84 bar Mixer frac. = 0.0000000 Log Log Vol Gas or mineral Moles Moles Grams Grams Wt.% (cm3) H2O,gas 15.02 1.177 270.4 2.432 97.11 0.8768E+05 CO2,gas 0.1777 -0.750 7.819 0.893 2.808 1114. CH4,gas 0.3144E-02 -2.503 0.5042E-01 -1.297 0.1811E-01 20.16 H2,gas 0.4457E-02 -2.351 0.9004E-02 -2.046 0.3233E-02 27.44 H2S,gas 0.5374E-02 -2.270 0.1831 -0.737 0.6576E-01 32.49 CO,gas 0.8817E-07 -7.055 0.2470E-05 -5.607 0.8868E-06 0.5414E-03 SO2,gas 0.3038E-14 -14.517 0.1946E-12 -12.711 0.6987E-13 0.1865E-10 HF,gas 0.1430E-07 -7.845 0.2861E-06 -6.544 0.1027E-06 0.8783E-04 HCl,gas 0.6236E-10 -10.205 0.2274E-08 -8.643 0.8164E-09 0.3829E-06 Hg,gas 0.3995E-08 -8.398 0.8015E-06 -6.096 0.2878E-06 0.2453E-04 clinochlore 0.8570E-08 -8.067 0.4764E-05 -5.322 0.1321E-02 0.1812E-05 daphnite 0.6589E-12 -12.181 0.4701E-09 -9.328 0.1304E-06 0.1425E-09 chlorite-Mn 0.8199E-12 -12.086 0.5813E-09 -9.236 0.1612E-06 0.1853E-09 microcline 0.1836E-05 -5.736 0.5110E-03 -3.292 0.1417 0.1996E-03 quartz 0.5995E-02 -2.222 0.3601 -0.444 99.85 0.1360 bornite 0.8013E-08 -8.096 0.4021E-05 -5.396 0.1115E-02 0.7911E-06 galena 0.1067E-07 -7.972 0.2554E-05 -5.593 0.7080E-03 0.3361E-06 sphalerite 0.1277E-07 -7.894 0.1244E-05 -5.905 0.3450E-03 0.3043E-06 Partial press. Fugacity coef Log fugacity Gas or Mineral Mole fraction or activity Activity coef Log activity H2O,gas 0.9875E+00 0.5765E+01 0.9533 0.740 CO2,gas 0.1168E-01 0.6821E-01 1.0171 -1.159 CH4,gas 0.2067E-03 0.1207E-02 1.0431 -2.900 H2,gas 0.2931E-03 0.1711E-02 1.0027 -2.765 H2S,gas 0.3534E-03 0.2063E-02 0.9849 -2.692 CO,gas 0.5799E-08 0.3385E-07 1.0000 -7.470 SO2,gas 0.1998E-15 0.1166E-14 1.0000 -14.933 HF,gas 0.9407E-09 0.5492E-08 1.0000 -8.260 HCl,gas 0.4101E-11 0.2394E-10 1.0000 -10.621 Hg,gas 0.2628E-09 0.1534E-08 1.0000 -8.814 clinochlore 0.9998E+00 0.9998E+00 1.0000 -0.000 daphnite 0.7687E-04 0.7687E-04 1.0000 -4.114 chlorite-Mn 0.9566E-04 0.9566E-04 1.0000 -4.019 microcline 0.1000E+01 0.1000E+01 1.0000 0.000 quartz 0.1000E+01 0.1000E+01 1.0000 0.000 bornite 0.1000E+01 0.1000E+01 1.0000 0.000 galena 0.1000E+01 0.1000E+01 1.0000 0.000 sphalerite 0.1000E+01 0.1000E+01 1.0000 0.000 Current weight percent of gas: 27.468203 % Solid products produced: Mass = 0.360673 g Volume = 0.136211 cm3 WARNING: mineral volume may be in error because some mineral densities were not supplied in SOLTHERM. See mineral list in file Skip_Species.txt. NON-Ideal mixing with H2O, CO2, CH4 Gases ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ The following gases and minerals are presently in matrix or were just added Gas or Mineral Log K Log Q Log(Q/K) Log(Q/K)/S Affinity Log Fugacity 1 H2O,gas 0.03 0.03 -0.00 -0.000 0.23010E-09 2 CO2,gas -8.07 -8.07 0.00 0.000 -0.98127E-10 3 CH4,gas 3.74 3.74 0.00 0.000 -0.20940E-09 4 H2,gas 6.05 6.05 0.00 0.000 -0.14018E-10 5 H2S,gas -7.35 -7.35 -0.00 -0.000 0.71843E-10 6 CO,gas 0.76 0.76 0.00 0.000 -0.28474E-11 7 SO2,gas -2.65 -2.65 -0.00 -0.000 0.17523E-11 8 HF,gas -1.88 -1.88 -0.00 -0.000 0.35045E-11 9 HCl,gas 2.58 2.58 0.00 0.000 -0.26284E-11 10 Hg,gas -11.13 -11.13 0.00 0.000 -0.35045E-11 43 clinochlore 28.24 28.24 0.00 0.000 -0.70090E-11 44 daphnite 19.34 19.34 -0.00 -0.000 0.28036E-10 45 chlorite-Mn 36.27 36.27 0.00 0.000 0.00000E+00 115 microcline -3.57 -3.57 -0.00 -0.000 0.52568E-11 146 quartz -2.62 -2.62 0.00 0.000 0.00000E+00 198 bornite -78.31 -78.31 0.00 0.000 0.00000E+00 249 galena -10.96 -10.96 0.00 0.000 -0.70090E-11 260 sphalerite -10.04 -10.04 -0.00 -0.000 0.70090E-11 The following gases and minerals are presently EXCLUDED from matrix (Gases and minerals with log(Q/K) less than -5 are not listed below) Gas or Mineral Log K Log Q Log(Q/K) Log(Q/K)/S Affinity Log Fugacity 15 albite-high -1.12 -2.68 -1.56 -0.120 0.30723E+04 16 albite -1.93 -2.68 -0.74 -0.057 0.14668E+04 20 analcite 1.39 -0.06 -1.45 -0.161 0.28611E+04 21 andalusite 0.56 -3.82 -4.39 -0.439 0.86525E+04 23 grossular 24.20 20.13 -4.07 -0.203 0.80259E+04 24 anhydrite -6.40 -11.14 -4.74 -2.369 0.93482E+04 27 phlogopite 20.46 18.81 -1.65 -0.092 0.32625E+04 29 anorthite 6.81 3.29 -3.52 -0.271 0.69395E+04 32 aragonite 0.17 -0.26 -0.43 -0.143 0.84904E+03 33 brucite 10.55 7.46 -3.09 -0.618 0.60983E+04 34 calcite 0.01 -0.26 -0.27 -0.092 0.54190E+03 35 carnegieite-low 6.30 2.56 -3.75 -0.535 0.73940E+04 36 carnegieite-high 7.12 2.56 -4.56 -0.652 0.90021E+04 37 carpholite-Mg 3.72 1.02 -2.70 -0.180 0.53242E+04 39 celadonite 3.06 1.27 -1.78 -0.105 0.35180E+04 41 chrysotile 19.45 17.14 -2.31 -0.192 0.45496E+04 46 chlorite-Al-free 38.43 34.29 -4.14 -0.173 0.81684E+04 47 chloritoid-Mg 7.43 3.64 -3.80 -0.253 0.74919E+04 49 chloritoid-Mn 6.21 1.22 -4.98 -0.332 0.98317E+04 51 coesite -2.07 -2.62 -0.54 -0.181 0.10713E+04 56 corundum 3.52 -1.21 -4.73 -0.430 0.93290E+04 58 cristobalite -2.29 -2.62 -0.32 -0.108 0.63867E+03 61 cymrite-K 0.13 -3.57 -3.70 -0.308 0.72930E+04 63 diaspore 0.85 -0.60 -1.46 -0.243 0.28745E+04 64 diamond -2.44 -4.96 -2.52 -0.720 0.49708E+04 65 diopside 13.16 11.96 -1.20 -0.120 0.23769E+04 67 dolomite,ordered -1.22 -2.80 -1.58 -0.263 0.31088E+04 69 enstatite 13.65 9.69 -3.96 -0.396 0.78212E+04 70 clinoenstatite-HiP 14.60 9.69 -4.91 -0.491 0.96933E+04 71 clinoenstatite 13.57 9.69 -3.88 -0.388 0.76573E+04 72 protoenstatite 14.10 9.69 -4.42 -0.442 0.87109E+04 74 clinozoisite 13.81 9.80 -4.01 -0.182 0.79106E+04 78 forsterite 16.90 12.30 -4.60 -0.657 0.90721E+04 81 gibbsite 2.10 -0.60 -2.71 -0.387 0.53400E+04 82 glaucophane 15.68 11.79 -3.88 -0.105 0.76566E+04 84 goethite 5.05 0.31 -4.74 -1.025 0.93487E+04 85 graphite -2.85 -4.96 -2.11 -0.602 0.41555E+04 88 halite 1.41 -3.03 -4.44 -2.222 0.87675E+04 90 heulandite -8.70 -9.79 -1.09 -0.050 0.21517E+04 94 jadeite 2.31 -0.06 -2.37 -0.237 0.46755E+04 96 kalsilite 5.17 1.66 -3.51 -0.501 0.69158E+04 97 kaolinite -4.25 -6.44 -2.18 -0.198 0.43076E+04 98 kyanite 0.53 -3.82 -4.35 -0.435 0.85772E+04 100 laumontite -0.81 -1.94 -1.13 -0.075 0.22323E+04 101 lawsonite 5.09 3.29 -1.80 -0.120 0.35603E+04 102 leucite 2.00 -0.95 -2.95 -0.295 0.58295E+04 104 lizardite 18.98 17.14 -1.83 -0.153 0.36138E+04 105 magnesite -0.42 -2.53 -2.11 -0.704 0.41695E+04 108 minnesotaite-Mg 16.26 11.91 -4.34 -0.256 0.85707E+04 119 muscovite -2.54 -4.77 -2.24 -0.132 0.44139E+04 120 paragonite -1.23 -3.88 -2.66 -0.156 0.52390E+04 121 nepheline 5.69 2.56 -3.14 -0.448 0.61869E+04 133 phlogopite-Na 22.52 19.70 -2.82 -0.157 0.55604E+04 135 prehnite 12.84 10.40 -2.44 -0.144 0.48158E+04 141 pyrite -20.00 -22.56 -2.56 -0.602 0.50504E+04 142 pyrrhotite -4.80 -9.24 -4.44 -1.479 0.87518E+04 143 pyrrhotiteFe0.875 -6.27 -9.75 -3.48 -1.279 0.68605E+04 144 pyroxmangite 6.00 2.43 -3.57 -0.715 0.70507E+04 145 pyrophyllite -8.78 -11.67 -2.89 -0.181 0.57000E+04 151 rhodochrosite -1.61 -4.95 -3.34 -1.112 0.65827E+04 152 rhodonite 6.04 2.43 -3.61 -0.721 0.71140E+04 153 sanidine -2.52 -3.57 -1.05 -0.081 0.20681E+04 156 sillimanite 0.77 -3.82 -4.59 -0.459 0.90616E+04 163 stilbite -9.10 -9.79 -0.69 -0.033 0.13664E+04 165 stilpnomelane-Mg 18.28 17.60 -0.68 -0.020 0.13439E+04 169 sulfur -8.74 -13.32 -4.58 -1.408 0.90299E+04 171 talc 12.74 11.91 -0.82 -0.048 0.16254E+04 178 topaz-H 0.75 -3.82 -4.58 -0.416 0.90278E+04 179 tridymite -2.33 -2.62 -0.28 -0.094 0.55671E+03 180 tremolite 38.15 35.82 -2.33 -0.063 0.45872E+04 182 troilite-low -4.89 -9.24 -4.34 -1.448 0.85704E+04 188 wairakite -0.41 -1.94 -1.54 -0.090 0.30320E+04 189 walstromite 9.71 7.11 -2.60 -0.520 0.51300E+04 190 wollastonite 8.81 7.11 -1.70 -0.340 0.33526E+04 191 pseudo-wollastonite 9.24 7.11 -2.13 -0.426 0.42032E+04 192 zoisite 13.85 9.80 -4.05 -0.184 0.79985E+04 193 beidellite-Ca -5.54 -9.40 -3.86 -0.239 0.76217E+04 194 beidellite-H -6.06 -11.01 -4.95 -0.316 0.97606E+04 195 beidellite-K -5.18 -9.39 -4.21 -0.258 0.83057E+04 196 beidellite-Mg -5.73 -9.78 -4.05 -0.250 0.79865E+04 197 beidellite-Na -5.08 -9.10 -4.02 -0.246 0.79403E+04 200 chalcedony -2.45 -2.62 -0.16 -0.054 0.31963E+03 201 chalcocite -24.14 -24.97 -0.83 -0.207 0.16328E+04 202 covellite -17.56 -19.14 -1.58 -0.602 0.31170E+04 204 montmorillonite-Ca -5.09 -7.40 -2.32 -0.143 0.45684E+04 205 montmorillonite-K -4.83 -7.40 -2.57 -0.158 0.50770E+04 206 montmorillonite-Mg -5.32 -7.78 -2.46 -0.152 0.48606E+04 207 montmorillonite-Na -4.67 -7.10 -2.43 -0.149 0.47956E+04 229 tobermorite 9.02 5.49 -3.53 -0.963 0.69629E+04 235 alabandite -1.78 -5.76 -3.98 -1.326 0.78504E+04 240 boehmite 2.07 -0.60 -2.67 -0.445 0.52661E+04 242 chalcopyrite -26.19 -28.38 -2.19 -0.407 0.43176E+04 245 copper,native -2.10 -5.82 -3.72 -1.294 0.73396E+04 246 dolomite,disordered -0.70 -2.80 -2.10 -0.350 0.41470E+04 248 fluorite -10.33 -12.09 -1.76 -0.586 0.34662E+04 257 silica-amorphous -1.90 -2.62 -0.72 -0.239 0.14134E+04 261 wurtzite -8.45 -10.04 -1.59 -0.529 0.31281E+04 263 an20ab80 -0.40 -1.48 -1.08 -0.083 0.21320E+04 264 an25ab75 0.01 -1.18 -1.19 -0.092 0.23527E+04 265 an30ab70 0.42 -0.89 -1.31 -0.101 0.25850E+04 Calculations done for 158.0000 Deg. C; 5.8384 bar Enthalpies: Pure water 2.8830 kcal/mole H2O,gas 11.9188 kcal/mole CO2,gas 1.6287 kcal/mole CH4,gas 1.5799 kcal/mole Current solution 117.2665 Gas 179.2641 kcal Total current enthalpy 296.5306 kcal Starting enthalpy 296.5306 kcal Temperature changed by -2.000 degrees to 156.000 degrees C. Solids and gases carried ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ Test file for CHIM-XPT. Boil Broadlands Water Water similar to Broadlands Well No. 2 CHIMRUN demo-2a ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ Number of loops used = 9 Loop limit = 200 Temperature = 156.00 C Pressure = 5.54 bar Mixer fraction = 0.0000000 Total current enthalpy = 296.5306 KCAL Water: Moles liquid = 0.4049E+02 kg liquid = 0.7294E+00 Moles total = 0.5551E+02 kg total = 0.1000E+01 Activity = 1.0000 Stoichiometric ionic strength = .4605237E-01 Osmotic coef. = 0.9260 True ionic strength = .4515406E-01 Chg. balance for total moles = 0.2402E-07 Max. difference allowed = 0.3072E-05 Log Log Log Species(n) Molality Molality Activity Activity Gamma Gamma 1 H+ 0.63541E-07 -7.1969 0.48512E-07 -7.3142 0.76348E+00 -0.1172 2 H2O 0.99999E+00 -0.0000 0.99999E+00 -0.0000 3 Cl- 0.41481E-01 -1.3822 0.31305E-01 -1.5044 0.75469E+00 -0.1222 4 SO4-- 0.16484E-05 -5.7829 0.57728E-06 -6.2386 0.35020E+00 -0.4557 5 HCO3- 0.26992E-02 -2.5688 0.20459E-02 -2.6891 0.75796E+00 -0.1204 6 HS- 0.41146E-03 -3.3857 0.31066E-03 -3.5077 0.75503E+00 -0.1220 7 H4SiO4 0.23566E-02 -2.6277 0.23566E-02 -2.6277 0.10000E+01 0.0000 8 Al+++ 0.34286E-21 -21.4649 0.31957E-22 -22.4954 0.93205E-01 -1.0306 9 Ca++ 0.39680E-04 -4.4014 0.13645E-04 -4.8650 0.34388E+00 -0.4636 10 Mg++ 0.22459E-06 -6.6486 0.76259E-07 -7.1177 0.33954E+00 -0.4691 11 Fe++ 0.19820E-12 -12.7029 0.67507E-13 -13.1707 0.34059E+00 -0.4678 12 K+ 0.50833E-02 -2.2939 0.38567E-02 -2.4138 0.75870E+00 -0.1199 13 Na+ 0.39935E-01 -1.3986 0.30136E-01 -1.5209 0.75464E+00 -0.1223 14 Mn++ 0.81376E-09 -9.0895 0.27780E-09 -9.5563 0.34138E+00 -0.4668 15 Zn++ 0.41598E-13 -13.3809 0.14168E-13 -13.8487 0.34059E+00 -0.4678 16 Cu+ 0.50356E-14 -14.2979 0.37995E-14 -14.4203 0.75452E+00 -0.1223 17 Pb++ 0.45997E-14 -14.3373 0.15944E-14 -14.7974 0.34662E+00 -0.4601 18 Hg++ 0.35120E-37 -37.4544 0.12127E-37 -37.9162 0.34532E+00 -0.4618 19 F- 0.33010E-03 -3.4814 0.24731E-03 -3.6068 0.74918E+00 -0.1254 21 HSiO3- 0.89691E-04 -4.0473 0.67689E-04 -4.1695 0.75469E+00 -0.1222 22 Ca(HSiO3)+ 0.79022E-07 -7.1023 0.59989E-07 -7.2219 0.75915E+00 -0.1197 23 Mg(HSiO3)+ 0.43827E-09 -9.3583 0.33271E-09 -9.4779 0.75915E+00 -0.1197 24 NaHSiO3,aq 0.22288E-04 -4.6519 0.22288E-04 -4.6519 0.10000E+01 0.0000 27 HAlO2,aq 0.21783E-08 -8.6619 0.21783E-08 -8.6619 0.10000E+01 0.0000 28 AlO2- 0.50958E-06 -6.2928 0.38218E-06 -6.4177 0.74999E+00 -0.1249 29 CH4,aq 0.10899E-05 -5.9626 0.10745E-05 -5.9688 0.98588E+00 -0.0062 34 CO,aq 0.29605E-10 -10.5286 0.29605E-10 -10.5286 0.10000E+01 0.0000 35 CO2,aq 0.51454E-03 -3.2886 0.50728E-03 -3.2948 0.98588E+00 -0.0062 36 CO3-2 0.72223E-05 -5.1413 0.25152E-05 -5.5994 0.34826E+00 -0.4581 37 CaCO3,aq 0.20973E-05 -5.6783 0.20973E-05 -5.6783 0.10000E+01 0.0000 38 Ca(HCO3)+ 0.29696E-05 -5.5273 0.22544E-05 -5.6470 0.75915E+00 -0.1197 39 CaCl+ 0.31157E-05 -5.5064 0.23653E-05 -5.6261 0.75915E+00 -0.1197 40 CaCl2,aq 0.20873E-07 -7.6804 0.20873E-07 -7.6804 0.10000E+01 0.0000 41 CaF+ 0.22983E-06 -6.6386 0.17447E-06 -6.7583 0.75915E+00 -0.1197 42 CaOH+ 0.62399E-06 -6.2048 0.47370E-06 -6.3245 0.75915E+00 -0.1197 43 CaSO4,aq 0.72794E-08 -8.1379 0.72794E-08 -8.1379 0.10000E+01 0.0000 44 HCl,aq 0.50232E-09 -9.2990 0.50232E-09 -9.2990 0.10000E+01 0.0000 61 HF,aq 0.30047E-06 -6.5222 0.30047E-06 -6.5222 0.10000E+01 0.0000 62 HF2- 0.34147E-10 -10.4666 0.25770E-10 -10.5889 0.75469E+00 -0.1222 76 H2,aq 0.17580E-05 -5.7550 0.17332E-05 -5.7612 0.98588E+00 -0.0062 90 KCl,aq 0.76399E-05 -5.1169 0.76399E-05 -5.1169 0.10000E+01 0.0000 92 KOH,aq 0.26915E-06 -6.5700 0.26915E-06 -6.5700 0.10000E+01 0.0000 93 KSO4- 0.10834E-06 -6.9652 0.81764E-07 -7.0874 0.75469E+00 -0.1222 94 MgCO3,aq 0.20784E-08 -8.6823 0.20784E-08 -8.6823 0.10000E+01 0.0000 95 Mg(HCO3)+ 0.16686E-07 -7.7776 0.12667E-07 -7.8973 0.75915E+00 -0.1197 96 MgCl+ 0.12145E-07 -7.9156 0.92201E-08 -8.0353 0.75915E+00 -0.1197 97 MgF+ 0.41889E-08 -8.3779 0.31800E-08 -8.4976 0.75915E+00 -0.1197 98 MgOH+ 0.13893E-07 -7.8572 0.10547E-07 -7.9769 0.75915E+00 -0.1197 101 MnO,aq 0.14842E-10 -10.8285 0.14842E-10 -10.8285 0.10000E+01 0.0000 102 MnOH+ 0.25683E-09 -9.5904 0.19497E-09 -9.7100 0.75915E+00 -0.1197 107 MnCl+ 0.41054E-09 -9.3866 0.31166E-09 -9.5063 0.75915E+00 -0.1197 109 NaCl,aq 0.62337E-03 -3.2053 0.62337E-03 -3.2053 0.10000E+01 0.0000 110 NaF,aq 0.37252E-05 -5.4288 0.37252E-05 -5.4288 0.10000E+01 0.0000 111 NaOH,aq 0.16710E-05 -5.7770 0.16710E-05 -5.7770 0.10000E+01 0.0000 113 OH- 0.72989E-04 -4.1367 0.54741E-04 -4.2617 0.74999E+00 -0.1249 124 Pb(HS)2,aq 0.43309E-09 -9.3634 0.43309E-09 -9.3634 0.10000E+01 0.0000 126 H2S,aq 0.57447E-04 -4.2407 0.56636E-04 -4.2469 0.98588E+00 -0.0062 127 S2-2 0.69902E-10 -10.1555 0.24344E-10 -10.6136 0.34826E+00 -0.4581 135 HSO4- 0.23817E-09 -9.6231 0.18124E-09 -9.7418 0.76094E+00 -0.1186 154 ZnOH+ 0.51835E-10 -10.2854 0.39350E-10 -10.4051 0.75915E+00 -0.1197 164 Cu(HS)2- 0.29993E-07 -7.5230 0.22636E-07 -7.6452 0.75469E+00 -0.1222 166 CuH4S3-b 0.57770E-09 -9.2383 0.43599E-09 -9.3605 0.75469E+00 -0.1222 179 MgSO4,aq 0.15867E-09 -9.7995 0.15867E-09 -9.7995 0.10000E+01 0.0000 180 MnCl2,aq 0.48616E-10 -10.3132 0.48616E-10 -10.3132 0.10000E+01 0.0000 182 MnCO3,aq 0.21971E-08 -8.6581 0.21971E-08 -8.6581 0.10000E+01 0.0000 183 NaCO3- 0.24648E-05 -5.6082 0.18602E-05 -5.7304 0.75469E+00 -0.1222 184 NaHCO3,aq 0.30832E-04 -4.5110 0.30832E-04 -4.5110 0.10000E+01 0.0000 185 NaHS,aq 0.46818E-05 -5.3296 0.46818E-05 -5.3296 0.10000E+01 0.0000 186 NaSO4- 0.32236E-06 -6.4917 0.24328E-06 -6.6139 0.75469E+00 -0.1222 187 PbCO3,aq 0.89064E-10 -10.0503 0.89064E-10 -10.0503 0.10000E+01 0.0000 193 Zn(HS)2,aq 0.29938E-08 -8.5238 0.29938E-08 -8.5238 0.10000E+01 0.0000 194 Zn(HS)3- 0.94907E-10 -10.0227 0.71626E-10 -10.1449 0.75469E+00 -0.1222 Charge balance for all species = 0.3293E-07 Component Molality Aq.molality ppm log[A(N)/A(H+)**Z] (total) 1 H+ 0.6354072E-07 0.3704544E-03 0.3722512E+00 0.0000 2 H2O 0.1000000E+01 0.5550770E+02 0.9969226E+06 0.0000 3 Cl- 0.4148061E-01 0.4211479E-01 0.1488519E+04 5.8098 4 SO4-- 0.1648429E-05 0.5574480E-06 0.5338521E-01 8.3897 5 HCO3- 0.2699239E-02 0.3260476E-02 0.1983353E+03 4.6250 6 HS- 0.4114592E-03 0.4751864E-03 0.1566719E+02 3.8064 7 H4SiO4 0.2356624E-02 0.2468681E-02 0.2365510E+03 -2.6277 8 Al+++ 0.3428627E-21 0.5117565E-06 0.1376563E-01 -0.5530 9 Ca++ 0.3968016E-04 0.4882383E-04 0.1950763E+01 9.7633 10 Mg++ 0.2245942E-06 0.2741837E-06 0.6645520E-02 7.5106 11 Fe++ 0.1982034E-12 0.9949854E-12 0.5539662E-07 1.4577 12 K+ 0.5083339E-02 0.5091357E-02 0.1984720E+03 4.9004 13 Na+ 0.3993502E-01 0.4062437E-01 0.9310834E+03 5.7932 14 Mn++ 0.8137627E-09 0.3752479E-08 0.2055218E-03 5.0720 15 Zn++ 0.4159850E-13 0.3145269E-08 0.2049760E-03 0.7796 16 Cu+ 0.5035622E-14 0.3057212E-07 0.1936598E-02 -7.1061 17 Pb++ 0.4599672E-14 0.5285559E-09 0.1091758E-03 -0.1691 18 Hg++ 0.3511969E-37 0.5836587E-11 0.1167172E-05 -23.2879 19 F- 0.3301021E-03 0.3343619E-03 0.6332737E+01 3.7074 Component Tot moles Aq. moles Solid moles Gas moles 1 H+ 0.1822172E+00 0.2702239E-03 -.7625191E-05 0.1819546E+00 2 H2O 0.5550825E+02 0.4048948E+02 -.1210537E-01 0.1503088E+02 3 Cl- 0.3072017E-01 0.3072017E-01 0.0000000E+00 0.5721782E-10 4 SO4-- -.4257700E-02 0.4066243E-06 0.1001840E-08 -.4258108E-02 5 HCO3- 0.1832100E+00 0.2378318E-02 0.0000000E+00 0.1808317E+00 6 HS- 0.9985820E-02 0.3466194E-03 0.5477721E-07 0.9639146E-02 7 H4SiO4 0.7855346E-02 0.1800752E-02 0.6054593E-02 0.0000000E+00 8 Al+++ 0.2253680E-05 0.3732951E-06 0.1880385E-05 0.0000000E+00 9 Ca++ 0.3561400E-04 0.3561400E-04 0.0000000E+00 0.0000000E+00 10 Mg++ 0.2355503E-06 0.2000003E-06 0.3555003E-07 0.0000000E+00 11 Fe++ 0.8017372E-08 0.7257811E-12 0.8016646E-08 0.0000000E+00 12 K+ 0.3715700E-02 0.3713834E-02 0.1866163E-05 0.0000000E+00 13 Na+ 0.2963300E-01 0.2963300E-01 0.0000000E+00 0.0000000E+00 14 Mn++ 0.2740424E-08 0.2737205E-08 0.3219150E-11 0.0000000E+00 15 Zn++ 0.1530000E-07 0.2294282E-08 0.1300572E-07 0.0000000E+00 16 Cu+ 0.6237410E-07 0.2230050E-07 0.4007360E-07 0.0000000E+00 17 Pb++ 0.1110000E-07 0.3855493E-09 0.1071445E-07 0.0000000E+00 18 Hg++ 0.4000000E-08 0.4257434E-11 0.0000000E+00 0.3995743E-08 19 F- 0.2439100E-03 0.2438966E-03 0.0000000E+00 0.1337517E-07 Chg. balance for solid moles: 0.1647E-16 Mass of aqueous solution: 0.731682E+03 g Temperature = 156.00 C Pressure = 5.54 bar Mixer frac. = 0.0000000 Log Log Vol Gas or mineral Moles Moles Grams Grams Wt.% (cm3) H2O,gas 15.20 1.182 273.8 2.437 97.14 0.9325E+05 CO2,gas 0.1777 -0.750 7.819 0.893 2.774 1167. CH4,gas 0.3161E-02 -2.500 0.5070E-01 -1.295 0.1799E-01 21.22 H2,gas 0.4389E-02 -2.358 0.8865E-02 -2.052 0.3146E-02 28.33 H2S,gas 0.5381E-02 -2.269 0.1834 -0.737 0.6507E-01 34.14 CO,gas 0.8119E-07 -7.090 0.2274E-05 -5.643 0.8069E-06 0.5227E-03 SO2,gas 0.2658E-14 -14.575 0.1703E-12 -12.769 0.6042E-13 0.1712E-10 HF,gas 0.1338E-07 -7.874 0.2675E-06 -6.573 0.9492E-07 0.8611E-04 HCl,gas 0.5722E-10 -10.242 0.2086E-08 -8.681 0.7402E-09 0.3684E-06 Hg,gas 0.3996E-08 -8.398 0.8015E-06 -6.096 0.2844E-06 0.2573E-04 clinochlore 0.7110E-08 -8.148 0.3952E-05 -5.403 0.1086E-02 0.1503E-05 daphnite 0.3852E-12 -12.414 0.2748E-09 -9.561 0.7551E-07 0.8328E-10 chlorite-Mn 0.6438E-12 -12.191 0.4565E-09 -9.341 0.1254E-06 0.1455E-09 microcline 0.1866E-05 -5.729 0.5194E-03 -3.284 0.1427 0.2029E-03 quartz 0.6049E-02 -2.218 0.3634 -0.440 99.85 0.1372 bornite 0.8015E-08 -8.096 0.4022E-05 -5.396 0.1105E-02 0.7912E-06 galena 0.1071E-07 -7.970 0.2563E-05 -5.591 0.7043E-03 0.3374E-06 sphalerite 0.1301E-07 -7.886 0.1267E-05 -5.897 0.3482E-03 0.3099E-06 Partial press. Fugacity coef Log fugacity Gas or Mineral Mole fraction or activity Activity coef Log activity H2O,gas 0.9876E+00 0.5473E+01 0.9549 0.718 CO2,gas 0.1154E-01 0.6397E-01 1.0168 -1.187 CH4,gas 0.2054E-03 0.1138E-02 1.0416 -2.926 H2,gas 0.2851E-03 0.1580E-02 1.0026 -2.800 H2S,gas 0.3496E-03 0.1938E-02 0.9855 -2.719 CO,gas 0.5275E-08 0.2923E-07 1.0000 -7.534 SO2,gas 0.1727E-15 0.9572E-15 1.0000 -15.019 HF,gas 0.8690E-09 0.4816E-08 1.0000 -8.317 HCl,gas 0.3717E-11 0.2060E-10 1.0000 -10.686 Hg,gas 0.2596E-09 0.1439E-08 1.0000 -8.842 clinochlore 0.9999E+00 0.9999E+00 1.0000 -0.000 daphnite 0.5417E-04 0.5417E-04 1.0000 -4.266 chlorite-Mn 0.9054E-04 0.9054E-04 1.0000 -4.043 microcline 0.1000E+01 0.1000E+01 1.0000 0.000 quartz 0.1000E+01 0.1000E+01 1.0000 0.000 bornite 0.1000E+01 0.1000E+01 1.0000 0.000 galena 0.1000E+01 0.1000E+01 1.0000 0.000 sphalerite 0.1000E+01 0.1000E+01 1.0000 0.000 Current weight percent of gas: 27.797453 % Solid products produced: Mass = 0.363954 g Volume = 0.137450 cm3 WARNING: mineral volume may be in error because some mineral densities were not supplied in SOLTHERM. See mineral list in file Skip_Species.txt. NON-Ideal mixing with H2O, CO2, CH4 Gases ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ The following gases and minerals are presently in matrix or were just added Gas or Mineral Log K Log Q Log(Q/K) Log(Q/K)/S Affinity Log Fugacity 1 H2O,gas 0.03 0.03 -0.00 -0.000 0.15345E-09 2 CO2,gas -8.07 -8.07 0.00 0.000 -0.62789E-10 3 CH4,gas 3.71 3.71 0.00 0.000 -0.13866E-09 4 H2,gas 6.06 6.06 0.00 0.000 -0.10465E-10 5 H2S,gas -7.36 -7.36 -0.00 -0.000 0.41859E-10 6 CO,gas 0.79 0.79 0.00 0.000 -0.37063E-11 7 SO2,gas -2.59 -2.59 -0.00 -0.000 0.87207E-12 8 HF,gas -1.86 -1.86 0.00 0.000 0.00000E+00 9 HCl,gas 2.61 2.61 -0.00 -0.000 0.87207E-12 10 Hg,gas -11.19 -11.19 0.00 0.000 0.00000E+00 43 clinochlore 28.56 28.56 -0.00 -0.000 0.55812E-10 44 daphnite 19.63 19.63 -0.00 -0.000 0.20930E-10 45 chlorite-Mn 36.59 36.59 -0.00 -0.000 0.27906E-10 115 microcline -3.54 -3.54 -0.00 -0.000 0.78486E-11 146 quartz -2.63 -2.63 0.00 0.000 0.00000E+00 198 bornite -78.62 -78.62 -0.00 -0.000 0.27906E-10 249 galena -10.99 -10.99 0.00 0.000 0.00000E+00 260 sphalerite -10.04 -10.04 0.00 0.000 0.00000E+00 The following gases and minerals are presently EXCLUDED from matrix (Gases and minerals with log(Q/K) less than -5 are not listed below) Gas or Mineral Log K Log Q Log(Q/K) Log(Q/K)/S Affinity Log Fugacity 15 albite-high -1.06 -2.64 -1.58 -0.121 0.30997E+04 16 albite -1.89 -2.64 -0.76 -0.058 0.14861E+04 20 analcite 1.45 -0.02 -1.46 -0.163 0.28735E+04 21 andalusite 0.70 -3.73 -4.43 -0.443 0.87037E+04 23 grossular 24.46 20.30 -4.16 -0.208 0.81618E+04 24 anhydrite -6.36 -11.10 -4.74 -2.370 0.93091E+04 27 phlogopite 20.66 19.00 -1.66 -0.092 0.32673E+04 29 anorthite 6.99 3.40 -3.58 -0.276 0.70386E+04 32 aragonite 0.19 -0.24 -0.43 -0.144 0.85056E+03 33 brucite 10.61 7.51 -3.10 -0.620 0.60866E+04 34 calcite 0.04 -0.24 -0.28 -0.092 0.54469E+03 35 carnegieite-low 6.39 2.61 -3.77 -0.539 0.74108E+04 36 carnegieite-high 7.21 2.61 -4.60 -0.657 0.90264E+04 37 carpholite-Mg 3.87 1.15 -2.72 -0.181 0.53349E+04 39 celadonite 3.13 1.35 -1.78 -0.105 0.34932E+04 41 chrysotile 19.58 17.28 -2.31 -0.192 0.45278E+04 46 chlorite-Al-free 38.69 34.55 -4.14 -0.172 0.81203E+04 47 chloritoid-Mg 7.61 3.78 -3.83 -0.255 0.75242E+04 51 coesite -2.08 -2.63 -0.55 -0.182 0.10707E+04 56 corundum 3.67 -1.11 -4.78 -0.434 0.93801E+04 58 cristobalite -2.30 -2.63 -0.33 -0.109 0.64166E+03 61 cymrite-K 0.18 -3.54 -3.71 -0.309 0.72869E+04 63 diaspore 0.92 -0.55 -1.47 -0.245 0.28838E+04 64 diamond -2.46 -4.98 -2.52 -0.721 0.49521E+04 65 diopside 13.25 12.02 -1.23 -0.123 0.24187E+04 67 dolomite,ordered -1.16 -2.73 -1.57 -0.262 0.30813E+04 69 enstatite 13.76 9.77 -3.99 -0.399 0.78391E+04 70 clinoenstatite-HiP 14.71 9.77 -4.95 -0.495 0.97108E+04 71 clinoenstatite 13.67 9.77 -3.91 -0.391 0.76751E+04 72 protoenstatite 14.21 9.77 -4.45 -0.445 0.87310E+04 74 clinozoisite 14.08 9.98 -4.10 -0.186 0.80456E+04 78 forsterite 17.02 12.39 -4.63 -0.661 0.90914E+04 81 gibbsite 2.16 -0.55 -2.72 -0.388 0.53339E+04 82 glaucophane 15.89 11.99 -3.90 -0.105 0.76607E+04 84 goethite 5.09 0.20 -4.88 -1.056 0.95925E+04 85 graphite -2.87 -4.98 -2.11 -0.602 0.41387E+04 88 halite 1.42 -3.03 -4.45 -2.223 0.87304E+04 90 heulandite -8.62 -9.74 -1.12 -0.051 0.21998E+04 94 jadeite 2.37 -0.02 -2.38 -0.238 0.46798E+04 96 kalsilite 5.24 1.72 -3.52 -0.503 0.69184E+04 97 kaolinite -4.17 -6.36 -2.19 -0.199 0.43092E+04 98 kyanite 0.66 -3.73 -4.39 -0.439 0.86240E+04 100 laumontite -0.70 -1.85 -1.15 -0.077 0.22643E+04 101 lawsonite 5.23 3.40 -1.83 -0.122 0.35930E+04 102 leucite 2.07 -0.91 -2.97 -0.297 0.58412E+04 104 lizardite 19.10 17.28 -1.83 -0.152 0.35858E+04 105 magnesite -0.38 -2.49 -2.11 -0.703 0.41403E+04 108 minnesotaite-Mg 16.38 12.02 -4.36 -0.257 0.85695E+04 119 muscovite -2.38 -4.64 -2.26 -0.133 0.44390E+04 120 paragonite -1.06 -3.75 -2.69 -0.158 0.52793E+04 121 nepheline 5.77 2.61 -3.16 -0.451 0.62049E+04 133 phlogopite-Na 22.73 19.89 -2.84 -0.158 0.55839E+04 135 prehnite 13.04 10.54 -2.50 -0.147 0.49152E+04 141 pyrite -20.03 -22.70 -2.67 -0.628 0.52412E+04 142 pyrrhotite -4.78 -9.36 -4.58 -1.527 0.89967E+04 143 pyrrhotiteFe0.875 -6.26 -9.86 -3.60 -1.324 0.70699E+04 144 pyroxmangite 6.04 2.44 -3.60 -0.720 0.70704E+04 145 pyrophyllite -8.70 -11.62 -2.91 -0.182 0.57225E+04 151 rhodochrosite -1.59 -4.93 -3.34 -1.114 0.65637E+04 152 rhodonite 6.08 2.44 -3.63 -0.727 0.71343E+04 153 sanidine -2.48 -3.54 -1.05 -0.081 0.20680E+04 156 sillimanite 0.91 -3.73 -4.64 -0.464 0.91142E+04 163 stilbite -9.05 -9.74 -0.68 -0.033 0.13412E+04 165 stilpnomelane-Mg 18.55 17.88 -0.68 -0.020 0.13324E+04 169 sulfur -8.75 -13.33 -4.58 -1.410 0.89980E+04 171 talc 12.85 12.02 -0.83 -0.049 0.16218E+04 178 topaz-H 0.87 -3.73 -4.61 -0.419 0.90432E+04 179 tridymite -2.34 -2.63 -0.28 -0.095 0.55891E+03 180 tremolite 38.44 36.06 -2.38 -0.064 0.46707E+04 182 troilite-low -4.88 -9.36 -4.49 -1.496 0.88127E+04 188 wairakite -0.27 -1.85 -1.58 -0.093 0.31000E+04 189 walstromite 9.77 7.14 -2.63 -0.526 0.51662E+04 190 wollastonite 8.86 7.14 -1.73 -0.345 0.33882E+04 191 pseudo-wollastonite 9.30 7.14 -2.16 -0.432 0.42411E+04 192 zoisite 14.13 9.98 -4.14 -0.188 0.81333E+04 193 beidellite-Ca -5.42 -9.32 -3.90 -0.241 0.76610E+04 194 beidellite-H -5.95 -10.93 -4.99 -0.318 0.97915E+04 195 beidellite-K -5.07 -9.32 -4.24 -0.260 0.83285E+04 196 beidellite-Mg -5.61 -9.69 -4.08 -0.253 0.80213E+04 197 beidellite-Na -4.96 -9.02 -4.06 -0.248 0.79684E+04 200 chalcedony -2.46 -2.63 -0.16 -0.054 0.31959E+03 201 chalcocite -24.25 -25.03 -0.79 -0.196 0.15424E+04 202 covellite -17.63 -19.18 -1.55 -0.591 0.30488E+04 204 montmorillonite-Ca -5.01 -7.34 -2.34 -0.145 0.45944E+04 205 montmorillonite-K -4.75 -7.34 -2.59 -0.159 0.50889E+04 206 montmorillonite-Mg -5.23 -7.72 -2.49 -0.154 0.48819E+04 207 montmorillonite-Na -4.59 -7.04 -2.45 -0.150 0.48105E+04 229 tobermorite 9.04 5.51 -3.54 -0.965 0.69421E+04 235 alabandite -1.75 -5.75 -4.00 -1.333 0.78518E+04 240 boehmite 2.14 -0.55 -2.69 -0.448 0.52830E+04 242 chalcopyrite -26.26 -28.55 -2.29 -0.426 0.44944E+04 245 copper,native -2.13 -5.85 -3.72 -1.293 0.73027E+04 246 dolomite,disordered -0.63 -2.73 -2.10 -0.350 0.41252E+04 248 fluorite -10.32 -12.08 -1.76 -0.588 0.34618E+04 257 silica-amorphous -1.91 -2.63 -0.72 -0.241 0.14173E+04 261 wurtzite -8.45 -10.04 -1.59 -0.531 0.31283E+04 263 an20ab80 -0.33 -1.43 -1.10 -0.085 0.21693E+04 264 an25ab75 0.09 -1.13 -1.22 -0.094 0.23941E+04 265 an30ab70 0.51 -0.83 -1.34 -0.103 0.26306E+04 Calculations done for 156.0000 Deg. C; 5.5419 bar Enthalpies: Pure water 2.8453 kcal/mole H2O,gas 11.9095 kcal/mole CO2,gas 1.6005 kcal/mole CH4,gas 1.5523 kcal/mole Current solution 115.2044 Gas 181.3262 kcal Total current enthalpy 296.5306 kcal Starting enthalpy 296.5306 kcal Temperature changed by -2.000 degrees to 154.000 degrees C. Solids and gases carried ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ Test file for CHIM-XPT. Boil Broadlands Water Water similar to Broadlands Well No. 2 CHIMRUN demo-2a ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ Number of loops used = 9 Loop limit = 200 Temperature = 154.00 C Pressure = 5.26 bar Mixer fraction = 0.0000000 Total current enthalpy = 296.5306 KCAL Water: Moles liquid = 0.4031E+02 kg liquid = 0.7261E+00 Moles total = 0.5551E+02 kg total = 0.1000E+01 Activity = 1.0000 Stoichiometric ionic strength = .4624492E-01 Osmotic coef. = 0.9264 True ionic strength = .4537395E-01 Chg. balance for total moles = 0.2402E-07 Max. difference allowed = 0.3072E-05 Log Log Log Species(n) Molality Molality Activity Activity Gamma Gamma 1 H+ 0.61380E-07 -7.2120 0.46915E-07 -7.3287 0.76434E+00 -0.1167 2 H2O 0.99999E+00 -0.0000 0.99999E+00 -0.0000 3 Cl- 0.41682E-01 -1.3800 0.31493E-01 -1.5018 0.75555E+00 -0.1217 4 SO4-- 0.17597E-05 -5.7546 0.61891E-06 -6.2084 0.35172E+00 -0.4538 5 HCO3- 0.27186E-02 -2.5657 0.20628E-02 -2.6855 0.75879E+00 -0.1199 6 HS- 0.40724E-03 -3.3901 0.30783E-03 -3.5117 0.75589E+00 -0.1215 7 H4SiO4 0.22942E-02 -2.6394 0.22942E-02 -2.6394 0.10000E+01 0.0000 8 Al+++ 0.34476E-21 -21.4625 0.32456E-22 -22.4887 0.94140E-01 -1.0262 9 Ca++ 0.40071E-04 -4.3972 0.13841E-04 -4.8588 0.34541E+00 -0.4617 10 Mg++ 0.23576E-06 -6.6275 0.80416E-07 -7.0947 0.34109E+00 -0.4671 11 Fe++ 0.14358E-12 -12.8429 0.49123E-13 -13.3087 0.34214E+00 -0.4658 12 K+ 0.51068E-02 -2.2918 0.38787E-02 -2.4113 0.75952E+00 -0.1195 13 Na+ 0.40130E-01 -1.3965 0.30318E-01 -1.5183 0.75549E+00 -0.1218 14 Mn++ 0.80468E-09 -9.0944 0.27594E-09 -9.5592 0.34292E+00 -0.4648 15 Zn++ 0.39780E-13 -13.4003 0.13610E-13 -13.8661 0.34214E+00 -0.4658 16 Cu+ 0.45926E-14 -14.3379 0.34692E-14 -14.4598 0.75538E+00 -0.1218 17 Pb++ 0.41485E-14 -14.3821 0.14443E-14 -14.8404 0.34814E+00 -0.4582 18 Hg++ 0.28592E-37 -37.5438 0.99169E-38 -38.0036 0.34684E+00 -0.4599 19 F- 0.33172E-03 -3.4792 0.24883E-03 -3.6041 0.75012E+00 -0.1249 21 HSiO3- 0.89691E-04 -4.0472 0.67767E-04 -4.1690 0.75555E+00 -0.1217 22 Ca(HSiO3)+ 0.76905E-07 -7.1140 0.58445E-07 -7.2333 0.75996E+00 -0.1192 23 Mg(HSiO3)+ 0.44695E-09 -9.3497 0.33966E-09 -9.4689 0.75996E+00 -0.1192 24 NaHSiO3,aq 0.22619E-04 -4.6455 0.22619E-04 -4.6455 0.10000E+01 0.0000 27 HAlO2,aq 0.20586E-08 -8.6864 0.20586E-08 -8.6864 0.10000E+01 0.0000 28 AlO2- 0.47625E-06 -6.3222 0.35763E-06 -6.4466 0.75091E+00 -0.1244 29 CH4,aq 0.10129E-05 -5.9945 0.99851E-06 -6.0006 0.98584E+00 -0.0062 34 CO,aq 0.25091E-10 -10.6005 0.25091E-10 -10.6005 0.10000E+01 0.0000 35 CO2,aq 0.48350E-03 -3.3156 0.47666E-03 -3.3218 0.98584E+00 -0.0062 36 CO3-2 0.76433E-05 -5.1167 0.26735E-05 -5.5729 0.34978E+00 -0.4562 37 CaCO3,aq 0.21289E-05 -5.6718 0.21289E-05 -5.6718 0.10000E+01 0.0000 38 Ca(HCO3)+ 0.28980E-05 -5.5379 0.22024E-05 -5.6571 0.75996E+00 -0.1192 39 CaCl+ 0.30291E-05 -5.5187 0.23020E-05 -5.6379 0.75996E+00 -0.1192 40 CaCl2,aq 0.20192E-07 -7.6948 0.20192E-07 -7.6948 0.10000E+01 0.0000 41 CaF+ 0.22308E-06 -6.6515 0.16954E-06 -6.7707 0.75996E+00 -0.1192 42 CaOH+ 0.59255E-06 -6.2273 0.45032E-06 -6.3465 0.75996E+00 -0.1192 43 CaSO4,aq 0.75812E-08 -8.1203 0.75812E-08 -8.1203 0.10000E+01 0.0000 44 HCl,aq 0.47458E-09 -9.3237 0.47458E-09 -9.3237 0.10000E+01 0.0000 61 HF,aq 0.27902E-06 -6.5544 0.27902E-06 -6.5544 0.10000E+01 0.0000 62 HF2- 0.31919E-10 -10.4959 0.24117E-10 -10.6177 0.75555E+00 -0.1217 76 H2,aq 0.15992E-05 -5.7961 0.15766E-05 -5.8023 0.98584E+00 -0.0062 90 KCl,aq 0.74031E-05 -5.1306 0.74031E-05 -5.1306 0.10000E+01 0.0000 92 KOH,aq 0.26335E-06 -6.5795 0.26335E-06 -6.5795 0.10000E+01 0.0000 93 KSO4- 0.11278E-06 -6.9478 0.85213E-07 -7.0695 0.75555E+00 -0.1217 94 MgCO3,aq 0.22190E-08 -8.6538 0.22190E-08 -8.6538 0.10000E+01 0.0000 95 Mg(HCO3)+ 0.16952E-07 -7.7708 0.12883E-07 -7.8900 0.75996E+00 -0.1192 96 MgCl+ 0.12384E-07 -7.9072 0.94111E-08 -8.0264 0.75996E+00 -0.1192 97 MgF+ 0.42453E-08 -8.3721 0.32263E-08 -8.4913 0.75996E+00 -0.1192 98 MgOH+ 0.13836E-07 -7.8590 0.10515E-07 -7.9782 0.75996E+00 -0.1192 101 MnO,aq 0.13578E-10 -10.8672 0.13578E-10 -10.8672 0.10000E+01 0.0000 102 MnOH+ 0.24420E-09 -9.6122 0.18559E-09 -9.7315 0.75996E+00 -0.1192 107 MnCl+ 0.38435E-09 -9.4153 0.29209E-09 -9.5345 0.75996E+00 -0.1192 109 NaCl,aq 0.61452E-03 -3.2115 0.61452E-03 -3.2115 0.10000E+01 0.0000 110 NaF,aq 0.36650E-05 -5.4359 0.36650E-05 -5.4359 0.10000E+01 0.0000 111 NaOH,aq 0.16465E-05 -5.7834 0.16465E-05 -5.7834 0.10000E+01 0.0000 113 OH- 0.72328E-04 -4.1407 0.54312E-04 -4.2651 0.75091E+00 -0.1244 124 Pb(HS)2,aq 0.39134E-09 -9.4074 0.39134E-09 -9.4074 0.10000E+01 0.0000 126 H2S,aq 0.54177E-04 -4.2662 0.53410E-04 -4.2724 0.98584E+00 -0.0062 127 S2-2 0.68096E-10 -10.1669 0.23819E-10 -10.6231 0.34978E+00 -0.4562 135 HSO4- 0.23055E-09 -9.6372 0.17562E-09 -9.7554 0.76175E+00 -0.1182 154 ZnOH+ 0.46681E-10 -10.3309 0.35476E-10 -10.4501 0.75996E+00 -0.1192 164 Cu(HS)2- 0.30079E-07 -7.5217 0.22726E-07 -7.6435 0.75555E+00 -0.1217 166 CuH4S3-b 0.62395E-09 -9.2048 0.47143E-09 -9.3266 0.75555E+00 -0.1217 179 MgSO4,aq 0.17169E-09 -9.7652 0.17169E-09 -9.7652 0.10000E+01 0.0000 180 MnCl2,aq 0.44147E-10 -10.3551 0.44147E-10 -10.3551 0.10000E+01 0.0000 182 MnCO3,aq 0.22699E-08 -8.6440 0.22699E-08 -8.6440 0.10000E+01 0.0000 183 NaCO3- 0.25723E-05 -5.5897 0.19435E-05 -5.7114 0.75555E+00 -0.1217 184 NaHCO3,aq 0.30332E-04 -4.5181 0.30332E-04 -4.5181 0.10000E+01 0.0000 185 NaHS,aq 0.45264E-05 -5.3442 0.45264E-05 -5.3442 0.10000E+01 0.0000 186 NaSO4- 0.34045E-06 -6.4680 0.25723E-06 -6.5897 0.75555E+00 -0.1217 187 PbCO3,aq 0.82733E-10 -10.0823 0.82733E-10 -10.0823 0.10000E+01 0.0000 193 Zn(HS)2,aq 0.27316E-08 -8.5636 0.27316E-08 -8.5636 0.10000E+01 0.0000 194 Zn(HS)3- 0.86660E-10 -10.0622 0.65476E-10 -10.1839 0.75555E+00 -0.1217 Charge balance for all species = 0.3308E-07 Component Molality Aq.molality ppm log[A(N)/A(H+)**Z] (total) 1 H+ 0.6137950E-07 0.3361315E-03 0.3377600E+00 0.0000 2 H2O 0.1000000E+01 0.5550773E+02 0.9969176E+06 0.0000 3 Cl- 0.4168234E-01 0.4230735E-01 0.1495316E+04 5.8269 4 SO4-- 0.1759669E-05 0.8082330E-06 0.7740173E-01 8.4490 5 HCO3- 0.2718559E-02 0.3248673E-02 0.1976162E+03 4.6432 6 HS- 0.4072435E-03 0.4674285E-03 0.1541132E+02 3.8170 7 H4SiO4 0.2294176E-02 0.2406564E-02 0.2305975E+03 -2.6394 8 Al+++ 0.3447639E-21 0.4783131E-06 0.1286597E-01 -0.5026 9 Ca++ 0.4007068E-04 0.4904706E-04 0.1959672E+01 9.7985 10 Mg++ 0.2357607E-06 0.2860153E-06 0.6932249E-02 7.5627 11 Fe++ 0.1435755E-12 0.6949253E-12 0.3869032E-07 1.3487 12 K+ 0.5106816E-02 0.5114595E-02 0.1993768E+03 4.9174 13 Na+ 0.4012990E-01 0.4081012E-01 0.9353353E+03 5.8104 14 Mn++ 0.8046766E-09 0.3770787E-08 0.2065233E-03 5.0982 15 Zn++ 0.3978001E-13 0.2869167E-08 0.1869815E-03 0.7912 16 Cu+ 0.4592626E-14 0.3070441E-07 0.1944967E-02 -7.1311 17 Pb++ 0.4148516E-14 0.4797511E-09 0.9909439E-04 -0.1830 18 Hg++ 0.2859229E-37 0.5532676E-11 0.1106391E-05 -23.3462 19 F- 0.3317205E-03 0.3358919E-03 0.6361679E+01 3.7246 Component Tot moles Aq. moles Solid moles Gas moles 1 H+ 0.1822172E+00 0.2440715E-03 -.7717081E-05 0.1819809E+00 2 H2O 0.5550825E+02 0.4030522E+02 -.1221194E-01 0.1521525E+02 3 Cl- 0.3072017E-01 0.3072017E-01 0.0000000E+00 0.5245718E-10 4 SO4-- -.4257700E-02 0.5868733E-06 0.1001976E-08 -.4258288E-02 5 HCO3- 0.1832100E+00 0.2358923E-02 0.0000000E+00 0.1808511E+00 6 HS- 0.9985820E-02 0.3394087E-03 0.5502955E-07 0.9646356E-02 7 H4SiO4 0.7855346E-02 0.1747451E-02 0.6107894E-02 0.0000000E+00 8 Al+++ 0.2253680E-05 0.3473122E-06 0.1906368E-05 0.0000000E+00 9 Ca++ 0.3561400E-04 0.3561400E-04 0.0000000E+00 0.0000000E+00 10 Mg++ 0.2355503E-06 0.2076811E-06 0.2786918E-07 0.0000000E+00 11 Fe++ 0.8017372E-08 0.5045985E-12 0.8016867E-08 0.0000000E+00 12 K+ 0.3715700E-02 0.3713805E-02 0.1895219E-05 0.0000000E+00 13 Na+ 0.2963300E-01 0.2963300E-01 0.0000000E+00 0.0000000E+00 14 Mn++ 0.2740424E-08 0.2738040E-08 0.2383869E-11 0.0000000E+00 15 Zn++ 0.1530000E-07 0.2083357E-08 0.1321664E-07 0.0000000E+00 16 Cu+ 0.6237410E-07 0.2229506E-07 0.4007904E-07 0.0000000E+00 17 Pb++ 0.1110000E-07 0.3483564E-09 0.1075164E-07 0.0000000E+00 18 Hg++ 0.4000000E-08 0.4017381E-11 0.0000000E+00 0.3995983E-08 19 F- 0.2439100E-03 0.2438975E-03 0.0000000E+00 0.1249814E-07 Chg. balance for solid moles: -.2353E-16 Mass of aqueous solution: 0.728356E+03 g Temperature = 154.00 C Pressure = 5.26 bar Mixer frac. = 0.0000000 Log Log Vol Gas or mineral Moles Moles Grams Grams Wt.% (cm3) H2O,gas 15.39 1.187 277.1 2.443 97.17 0.9920E+05 CO2,gas 0.1777 -0.750 7.819 0.893 2.742 1224. CH4,gas 0.3178E-02 -2.498 0.5098E-01 -1.293 0.1788E-01 22.35 H2,gas 0.4319E-02 -2.365 0.8725E-02 -2.059 0.3060E-02 29.25 H2S,gas 0.5388E-02 -2.269 0.1836 -0.736 0.6440E-01 35.89 CO,gas 0.7471E-07 -7.127 0.2093E-05 -5.679 0.7338E-06 0.5047E-03 SO2,gas 0.2323E-14 -14.634 0.1488E-12 -12.827 0.5218E-13 0.1569E-10 HF,gas 0.1250E-07 -7.903 0.2500E-06 -6.602 0.8766E-07 0.8443E-04 HCl,gas 0.5246E-10 -10.280 0.1913E-08 -8.718 0.6707E-09 0.3544E-06 Hg,gas 0.3996E-08 -8.398 0.8016E-06 -6.096 0.2811E-06 0.2699E-04 clinochlore 0.5574E-08 -8.254 0.3098E-05 -5.509 0.8438E-03 0.1178E-05 daphnite 0.2117E-12 -12.674 0.1511E-09 -9.821 0.4115E-07 0.4578E-10 chlorite-Mn 0.4768E-12 -12.322 0.3380E-09 -9.471 0.9206E-07 0.1077E-09 microcline 0.1895E-05 -5.722 0.5275E-03 -3.278 0.1437 0.2061E-03 quartz 0.6102E-02 -2.215 0.3666 -0.436 99.85 0.1385 bornite 0.8016E-08 -8.096 0.4022E-05 -5.396 0.1096E-02 0.7913E-06 galena 0.1075E-07 -7.969 0.2572E-05 -5.590 0.7006E-03 0.3386E-06 sphalerite 0.1322E-07 -7.879 0.1288E-05 -5.890 0.3507E-03 0.3149E-06 Partial press. Fugacity coef Log fugacity Gas or Mineral Mole fraction or activity Activity coef Log activity H2O,gas 0.9878E+00 0.5193E+01 0.9564 0.696 CO2,gas 0.1141E-01 0.5997E-01 1.0165 -1.215 CH4,gas 0.2041E-03 0.1073E-02 1.0401 -2.952 H2,gas 0.2773E-03 0.1458E-02 1.0025 -2.835 H2S,gas 0.3459E-03 0.1819E-02 0.9860 -2.746 CO,gas 0.4796E-08 0.2522E-07 1.0000 -7.598 SO2,gas 0.1491E-15 0.7841E-15 1.0000 -15.106 HF,gas 0.8024E-09 0.4219E-08 1.0000 -8.375 HCl,gas 0.3368E-11 0.1771E-10 1.0000 -10.752 Hg,gas 0.2565E-09 0.1349E-08 1.0000 -8.870 clinochlore 0.9999E+00 0.9999E+00 1.0000 -0.000 daphnite 0.3799E-04 0.3799E-04 1.0000 -4.420 chlorite-Mn 0.8553E-04 0.8553E-04 1.0000 -4.068 microcline 0.1000E+01 0.1000E+01 1.0000 0.000 quartz 0.1000E+01 0.1000E+01 1.0000 0.000 bornite 0.1000E+01 0.1000E+01 1.0000 0.000 galena 0.1000E+01 0.1000E+01 1.0000 0.000 sphalerite 0.1000E+01 0.1000E+01 1.0000 0.000 Current weight percent of gas: 28.125125 % Solid products produced: Mass = 0.367158 g Volume = 0.138660 cm3 WARNING: mineral volume may be in error because some mineral densities were not supplied in SOLTHERM. See mineral list in file Skip_Species.txt. NON-Ideal mixing with H2O, CO2, CH4 Gases ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ The following gases and minerals are presently in matrix or were just added Gas or Mineral Log K Log Q Log(Q/K) Log(Q/K)/S Affinity Log Fugacity 1 H2O,gas 0.02 0.02 -0.00 -0.000 0.98559E-10 2 CO2,gas -8.08 -8.08 0.00 0.000 -0.45136E-10 3 CH4,gas 3.68 3.68 0.00 0.000 -0.89404E-10 4 H2,gas 6.06 6.06 0.00 0.000 -0.34720E-11 5 H2S,gas -7.37 -7.37 -0.00 -0.000 0.27776E-10 6 CO,gas 0.81 0.81 0.00 0.000 -0.10850E-11 7 SO2,gas -2.53 -2.53 0.00 0.000 -0.34720E-11 8 HF,gas -1.84 -1.84 0.00 0.000 -0.86800E-12 9 HCl,gas 2.64 2.64 0.00 0.000 0.00000E+00 10 Hg,gas -11.25 -11.25 0.00 0.000 -0.69440E-11 43 clinochlore 28.89 28.89 -0.00 -0.000 0.62496E-10 44 daphnite 19.92 19.92 0.00 0.000 -0.69440E-11 45 chlorite-Mn 36.91 36.91 -0.00 -0.000 0.27776E-10 115 microcline -3.50 -3.50 -0.00 -0.000 0.11284E-10 146 quartz -2.64 -2.64 0.00 0.000 0.00000E+00 198 bornite -78.92 -78.92 -0.00 -0.000 0.27776E-10 249 galena -11.02 -11.02 0.00 0.000 0.00000E+00 260 sphalerite -10.05 -10.05 0.00 0.000 -0.34720E-11 The following gases and minerals are presently EXCLUDED from matrix (Gases and minerals with log(Q/K) less than -5 are not listed below) Gas or Mineral Log K Log Q Log(Q/K) Log(Q/K)/S Affinity Log Fugacity 15 albite-high -1.01 -2.61 -1.60 -0.123 0.31273E+04 16 albite -1.84 -2.61 -0.77 -0.059 0.15055E+04 20 analcite 1.51 0.03 -1.48 -0.164 0.28860E+04 21 andalusite 0.83 -3.64 -4.48 -0.448 0.87552E+04 23 grossular 24.72 20.47 -4.25 -0.212 0.82979E+04 24 anhydrite -6.32 -11.07 -4.74 -2.371 0.92699E+04 27 phlogopite 20.86 19.18 -1.67 -0.093 0.32719E+04 29 anorthite 7.17 3.51 -3.65 -0.281 0.71378E+04 32 aragonite 0.22 -0.22 -0.44 -0.145 0.85183E+03 33 brucite 10.67 7.56 -3.11 -0.622 0.60750E+04 34 calcite 0.06 -0.22 -0.28 -0.093 0.54723E+03 35 carnegieite-low 6.47 2.67 -3.80 -0.543 0.74277E+04 36 carnegieite-high 7.30 2.67 -4.63 -0.662 0.90508E+04 37 carpholite-Mg 4.01 1.28 -2.74 -0.182 0.53458E+04 39 celadonite 3.19 1.42 -1.77 -0.104 0.34683E+04 41 chrysotile 19.71 17.41 -2.31 -0.192 0.45059E+04 46 chlorite-Al-free 38.95 34.82 -4.13 -0.172 0.80720E+04 47 chloritoid-Mg 7.78 3.92 -3.87 -0.258 0.75567E+04 51 coesite -2.09 -2.64 -0.55 -0.182 0.10701E+04 56 corundum 3.82 -1.01 -4.83 -0.439 0.94313E+04 58 cristobalite -2.31 -2.64 -0.33 -0.110 0.64464E+03 61 cymrite-K 0.22 -3.50 -3.72 -0.310 0.72807E+04 63 diaspore 0.98 -0.50 -1.48 -0.247 0.28931E+04 64 diamond -2.48 -5.00 -2.52 -0.721 0.49330E+04 65 diopside 13.34 12.08 -1.26 -0.126 0.24603E+04 67 dolomite,ordered -1.11 -2.67 -1.56 -0.260 0.30533E+04 69 enstatite 13.87 9.85 -4.02 -0.402 0.78569E+04 70 clinoenstatite-HiP 14.82 9.85 -4.98 -0.498 0.97282E+04 71 clinoenstatite 13.78 9.85 -3.94 -0.394 0.76927E+04 72 protoenstatite 14.32 9.85 -4.48 -0.448 0.87510E+04 74 clinozoisite 14.36 10.17 -4.19 -0.190 0.81808E+04 78 forsterite 17.15 12.49 -4.66 -0.666 0.91106E+04 81 gibbsite 2.22 -0.50 -2.73 -0.389 0.53280E+04 82 glaucophane 16.11 12.19 -3.92 -0.106 0.76648E+04 85 graphite -2.89 -5.00 -2.11 -0.602 0.41217E+04 88 halite 1.43 -3.02 -4.45 -2.224 0.86931E+04 90 heulandite -8.53 -9.68 -1.15 -0.052 0.22484E+04 94 jadeite 2.43 0.03 -2.40 -0.240 0.46841E+04 96 kalsilite 5.32 1.78 -3.54 -0.506 0.69209E+04 97 kaolinite -4.08 -6.28 -2.21 -0.201 0.43111E+04 98 kyanite 0.79 -3.64 -4.44 -0.444 0.86711E+04 100 laumontite -0.59 -1.76 -1.18 -0.078 0.22967E+04 101 lawsonite 5.37 3.51 -1.86 -0.124 0.36260E+04 102 leucite 2.13 -0.86 -2.99 -0.299 0.58530E+04 104 lizardite 19.23 17.41 -1.82 -0.152 0.35578E+04 105 magnesite -0.35 -2.45 -2.10 -0.701 0.41109E+04 108 minnesotaite-Mg 16.51 12.13 -4.38 -0.258 0.85681E+04 119 muscovite -2.22 -4.51 -2.28 -0.134 0.44643E+04 120 paragonite -0.89 -3.62 -2.72 -0.160 0.53198E+04 121 nepheline 5.85 2.67 -3.18 -0.455 0.62229E+04 133 phlogopite-Na 22.95 20.08 -2.87 -0.159 0.56074E+04 135 prehnite 13.24 10.67 -2.57 -0.151 0.50149E+04 141 pyrite -20.06 -22.84 -2.78 -0.654 0.54328E+04 142 pyrrhotite -4.76 -9.49 -4.73 -1.576 0.92425E+04 143 pyrrhotiteFe0.875 -6.25 -9.97 -3.72 -1.370 0.72800E+04 144 pyroxmangite 6.09 2.46 -3.63 -0.726 0.70912E+04 145 pyrophyllite -8.62 -11.56 -2.94 -0.184 0.57453E+04 151 rhodochrosite -1.57 -4.92 -3.35 -1.116 0.65457E+04 152 rhodonite 6.12 2.46 -3.66 -0.732 0.71558E+04 153 sanidine -2.45 -3.50 -1.06 -0.081 0.20680E+04 156 sillimanite 1.05 -3.64 -4.69 -0.469 0.91669E+04 163 stilbite -9.01 -9.68 -0.67 -0.032 0.13164E+04 165 stilpnomelane-Mg 18.83 18.15 -0.68 -0.020 0.13208E+04 169 sulfur -8.76 -13.35 -4.59 -1.411 0.89659E+04 171 talc 12.96 12.13 -0.83 -0.049 0.16179E+04 178 topaz-H 0.99 -3.64 -4.63 -0.421 0.90589E+04 179 tridymite -2.35 -2.64 -0.29 -0.096 0.56109E+03 180 tremolite 38.73 36.30 -2.43 -0.066 0.47538E+04 182 troilite-low -4.86 -9.49 -4.63 -1.544 0.90560E+04 188 wairakite -0.14 -1.76 -1.62 -0.095 0.31682E+04 189 walstromite 9.82 7.16 -2.66 -0.532 0.52023E+04 190 wollastonite 8.91 7.16 -1.75 -0.350 0.34238E+04 191 pseudo-wollastonite 9.35 7.16 -2.19 -0.438 0.42790E+04 192 zoisite 14.40 10.17 -4.23 -0.192 0.82684E+04 193 beidellite-Ca -5.30 -9.24 -3.94 -0.244 0.77004E+04 195 beidellite-K -4.96 -9.23 -4.27 -0.262 0.83516E+04 196 beidellite-Mg -5.49 -9.61 -4.12 -0.255 0.80563E+04 197 beidellite-Na -4.85 -8.94 -4.09 -0.251 0.79968E+04 200 chalcedony -2.48 -2.64 -0.16 -0.054 0.31956E+03 201 chalcocite -24.36 -25.10 -0.74 -0.186 0.14517E+04 202 covellite -17.70 -19.22 -1.52 -0.581 0.29805E+04 204 montmorillonite-Ca -4.92 -7.28 -2.36 -0.146 0.46206E+04 205 montmorillonite-K -4.67 -7.28 -2.61 -0.160 0.51009E+04 206 montmorillonite-Mg -5.14 -7.65 -2.51 -0.155 0.49034E+04 207 montmorillonite-Na -4.51 -6.98 -2.47 -0.151 0.48257E+04 229 tobermorite 9.06 5.52 -3.54 -0.966 0.69214E+04 235 alabandite -1.72 -5.74 -4.02 -1.339 0.78540E+04 240 boehmite 2.21 -0.50 -2.71 -0.452 0.53000E+04 242 chalcopyrite -26.33 -28.72 -2.39 -0.445 0.46718E+04 245 copper,native -2.16 -5.88 -3.72 -1.293 0.72657E+04 246 dolomite,disordered -0.57 -2.67 -2.10 -0.350 0.41029E+04 248 fluorite -10.30 -12.07 -1.77 -0.590 0.34569E+04 257 silica-amorphous -1.91 -2.64 -0.73 -0.242 0.14212E+04 261 wurtzite -8.45 -10.05 -1.60 -0.534 0.31285E+04 263 an20ab80 -0.26 -1.39 -1.13 -0.087 0.22067E+04 264 an25ab75 0.17 -1.08 -1.25 -0.096 0.24357E+04 265 an30ab70 0.60 -0.77 -1.37 -0.105 0.26764E+04 Calculations done for 154.0000 Deg. C; 5.2574 bar Enthalpies: Pure water 2.8075 kcal/mole H2O,gas 11.9000 kcal/mole CO2,gas 1.5726 kcal/mole CH4,gas 1.5249 kcal/mole Current solution 113.1593 Gas 183.3712 kcal Total current enthalpy 296.5306 kcal Starting enthalpy 296.5306 kcal Temperature changed by -2.000 degrees to 152.000 degrees C. Solids and gases carried ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ Test file for CHIM-XPT. Boil Broadlands Water Water similar to Broadlands Well No. 2 CHIMRUN demo-2a ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ Number of loops used = 9 Loop limit = 200 Temperature = 152.00 C Pressure = 4.98 bar Mixer fraction = 0.0000000 Total current enthalpy = 296.5306 KCAL Water: Moles liquid = 0.4012E+02 kg liquid = 0.7228E+00 Moles total = 0.5551E+02 kg total = 0.1000E+01 Activity = 1.0000 Stoichiometric ionic strength = .4643945E-01 Osmotic coef. = 0.9268 True ionic strength = .4559453E-01 Chg. balance for total moles = 0.2402E-07 Max. difference allowed = 0.3072E-05 Log Log Log Species(n) Molality Molality Activity Activity Gamma Gamma 1 H+ 0.59262E-07 -7.2272 0.45347E-07 -7.3435 0.76519E+00 -0.1162 2 H2O 0.99999E+00 -0.0000 0.99999E+00 -0.0000 3 Cl- 0.41885E-01 -1.3779 0.31682E-01 -1.4992 0.75641E+00 -0.1212 4 SO4-- 0.18783E-05 -5.7262 0.66345E-06 -6.1782 0.35323E+00 -0.4519 5 HCO3- 0.27380E-02 -2.5626 0.20798E-02 -2.6820 0.75961E+00 -0.1194 6 HS- 0.40297E-03 -3.3947 0.30494E-03 -3.5158 0.75674E+00 -0.1211 7 H4SiO4 0.22329E-02 -2.6511 0.22329E-02 -2.6511 0.10000E+01 0.0000 8 Al+++ 0.34642E-21 -21.4604 0.32936E-22 -22.4823 0.95075E-01 -1.0219 9 Ca++ 0.40456E-04 -4.3930 0.14035E-04 -4.8528 0.34693E+00 -0.4598 10 Mg++ 0.24755E-06 -6.6063 0.84817E-07 -7.0715 0.34263E+00 -0.4652 11 Fe++ 0.10354E-12 -12.9849 0.35584E-13 -13.4487 0.34367E+00 -0.4639 12 K+ 0.51304E-02 -2.2898 0.39008E-02 -2.4088 0.76033E+00 -0.1190 13 Na+ 0.40325E-01 -1.3944 0.30500E-01 -1.5157 0.75634E+00 -0.1213 14 Mn++ 0.79434E-09 -9.1000 0.27361E-09 -9.5629 0.34446E+00 -0.4629 15 Zn++ 0.38001E-13 -13.4202 0.13060E-13 -13.8841 0.34367E+00 -0.4639 16 Cu+ 0.41845E-14 -14.3784 0.31644E-14 -14.4997 0.75622E+00 -0.1213 17 Pb++ 0.37354E-14 -14.4277 0.13061E-14 -14.8840 0.34965E+00 -0.4564 18 Hg++ 0.23248E-37 -37.6336 0.80987E-38 -38.0916 0.34835E+00 -0.4580 19 F- 0.33334E-03 -3.4771 0.25036E-03 -3.6014 0.75105E+00 -0.1243 21 HSiO3- 0.89653E-04 -4.0474 0.67814E-04 -4.1687 0.75641E+00 -0.1212 22 Ca(HSiO3)+ 0.74817E-07 -7.1260 0.56918E-07 -7.2447 0.76077E+00 -0.1187 23 Mg(HSiO3)+ 0.45585E-09 -9.3412 0.34680E-09 -9.4599 0.76077E+00 -0.1187 24 NaHSiO3,aq 0.22955E-04 -4.6391 0.22955E-04 -4.6391 0.10000E+01 0.0000 27 HAlO2,aq 0.19432E-08 -8.7115 0.19432E-08 -8.7115 0.10000E+01 0.0000 28 AlO2- 0.44465E-06 -6.3520 0.33430E-06 -6.4759 0.75183E+00 -0.1239 29 CH4,aq 0.94127E-06 -6.0263 0.92790E-06 -6.0325 0.98579E+00 -0.0062 34 CO,aq 0.21248E-10 -10.6727 0.21248E-10 -10.6727 0.10000E+01 0.0000 35 CO2,aq 0.45434E-03 -3.3426 0.44789E-03 -3.3488 0.98579E+00 -0.0062 36 CO3-2 0.80886E-05 -5.0921 0.28415E-05 -5.5464 0.35130E+00 -0.4543 37 CaCO3,aq 0.21610E-05 -5.6653 0.21610E-05 -5.6653 0.10000E+01 0.0000 38 Ca(HCO3)+ 0.28284E-05 -5.5485 0.21518E-05 -5.6672 0.76077E+00 -0.1187 39 CaCl+ 0.29450E-05 -5.5309 0.22404E-05 -5.6497 0.76077E+00 -0.1187 40 CaCl2,aq 0.19542E-07 -7.7090 0.19542E-07 -7.7090 0.10000E+01 0.0000 41 CaF+ 0.21655E-06 -6.6644 0.16474E-06 -6.7832 0.76077E+00 -0.1187 42 CaOH+ 0.56229E-06 -6.2500 0.42777E-06 -6.3688 0.76077E+00 -0.1187 43 CaSO4,aq 0.78960E-08 -8.1026 0.78960E-08 -8.1026 0.10000E+01 0.0000 44 HCl,aq 0.44837E-09 -9.3484 0.44837E-09 -9.3484 0.10000E+01 0.0000 61 HF,aq 0.25900E-06 -6.5867 0.25900E-06 -6.5867 0.10000E+01 0.0000 62 HF2- 0.29820E-10 -10.5255 0.22556E-10 -10.6467 0.75641E+00 -0.1212 76 H2,aq 0.14538E-05 -5.8375 0.14332E-05 -5.8437 0.98579E+00 -0.0062 90 KCl,aq 0.71733E-05 -5.1443 0.71733E-05 -5.1443 0.10000E+01 0.0000 92 KOH,aq 0.25756E-06 -6.5891 0.25756E-06 -6.5891 0.10000E+01 0.0000 93 KSO4- 0.11742E-06 -6.9303 0.88817E-07 -7.0515 0.75641E+00 -0.1212 94 MgCO3,aq 0.23703E-08 -8.6252 0.23703E-08 -8.6252 0.10000E+01 0.0000 95 Mg(HCO3)+ 0.17230E-07 -7.7637 0.13108E-07 -7.8825 0.76077E+00 -0.1187 96 MgCl+ 0.12633E-07 -7.8985 0.96109E-08 -8.0172 0.76077E+00 -0.1187 97 MgF+ 0.43047E-08 -8.3661 0.32749E-08 -8.4848 0.76077E+00 -0.1187 98 MgOH+ 0.13780E-07 -7.8608 0.10483E-07 -7.9795 0.76077E+00 -0.1187 101 MnO,aq 0.12393E-10 -10.9068 0.12393E-10 -10.9068 0.10000E+01 0.0000 102 MnOH+ 0.23175E-09 -9.6350 0.17631E-09 -9.7537 0.76077E+00 -0.1187 107 MnCl+ 0.35926E-09 -9.4446 0.27331E-09 -9.5633 0.76077E+00 -0.1187 109 NaCl,aq 0.60587E-03 -3.2176 0.60587E-03 -3.2176 0.10000E+01 0.0000 110 NaF,aq 0.36062E-05 -5.4429 0.36062E-05 -5.4429 0.10000E+01 0.0000 111 NaOH,aq 0.16218E-05 -5.7900 0.16218E-05 -5.7900 0.10000E+01 0.0000 113 OH- 0.71639E-04 -4.1449 0.53860E-04 -4.2687 0.75183E+00 -0.1239 124 Pb(HS)2,aq 0.35336E-09 -9.4518 0.35336E-09 -9.4518 0.10000E+01 0.0000 126 H2S,aq 0.51090E-04 -4.2917 0.50364E-04 -4.2979 0.98579E+00 -0.0062 127 S2-2 0.66310E-10 -10.1784 0.23295E-10 -10.6327 0.35130E+00 -0.4543 135 HSO4- 0.22304E-09 -9.6516 0.17008E-09 -9.7693 0.76255E+00 -0.1177 154 ZnOH+ 0.41979E-10 -10.3770 0.31936E-10 -10.4957 0.76077E+00 -0.1187 164 Cu(HS)2- 0.30165E-07 -7.5205 0.22817E-07 -7.6417 0.75641E+00 -0.1212 166 CuH4S3-b 0.67404E-09 -9.1713 0.50985E-09 -9.2926 0.75641E+00 -0.1212 179 MgSO4,aq 0.18584E-09 -9.7309 0.18584E-09 -9.7309 0.10000E+01 0.0000 180 MnCl2,aq 0.40038E-10 -10.3975 0.40038E-10 -10.3975 0.10000E+01 0.0000 182 MnCO3,aq 0.23422E-08 -8.6304 0.23422E-08 -8.6304 0.10000E+01 0.0000 183 NaCO3- 0.26850E-05 -5.5711 0.20310E-05 -5.6923 0.75641E+00 -0.1212 184 NaHCO3,aq 0.29857E-04 -4.5250 0.29857E-04 -4.5250 0.10000E+01 0.0000 185 NaHS,aq 0.43777E-05 -5.3588 0.43777E-05 -5.3588 0.10000E+01 0.0000 186 NaSO4- 0.35958E-06 -6.4442 0.27199E-06 -6.5655 0.75641E+00 -0.1212 187 PbCO3,aq 0.76730E-10 -10.1150 0.76730E-10 -10.1150 0.10000E+01 0.0000 193 Zn(HS)2,aq 0.24938E-08 -8.6031 0.24938E-08 -8.6031 0.10000E+01 0.0000 194 Zn(HS)3- 0.79099E-10 -10.1018 0.59831E-10 -10.2231 0.75641E+00 -0.1212 Charge balance for all species = 0.3323E-07 Component Molality Aq.molality ppm log[A(N)/A(H+)**Z] (total) 1 H+ 0.5926228E-07 0.3038868E-03 0.3053572E+00 0.0000 2 H2O 0.1000000E+01 0.5550776E+02 0.9969122E+06 0.0000 3 Cl- 0.4188471E-01 0.4250075E-01 0.1502143E+04 5.8443 4 SO4-- 0.1878251E-05 0.1058836E-05 0.1014005E+00 8.5087 5 HCO3- 0.2737958E-02 0.3238884E-02 0.1970196E+03 4.6615 6 HS- 0.4029697E-03 0.4598101E-03 0.1516005E+02 3.8277 7 H4SiO4 0.2232857E-02 0.2345540E-02 0.2247489E+03 -2.6511 8 Al+++ 0.3464176E-21 0.4465929E-06 0.1201267E-01 -0.4520 9 Ca++ 0.4045579E-04 0.4927127E-04 0.1968618E+01 9.8341 10 Mg++ 0.2475451E-06 0.2985044E-06 0.7234910E-02 7.6154 11 Fe++ 0.1035395E-12 0.4834170E-12 0.2691432E-07 1.2382 12 K+ 0.5130389E-02 0.5137937E-02 0.2002855E+03 4.9346 13 Na+ 0.4032534E-01 0.4099667E-01 0.9396054E+03 5.8277 14 Mn++ 0.7943370E-09 0.3789115E-08 0.2075259E-03 5.1240 15 Zn++ 0.3800138E-13 0.2618709E-08 0.1706583E-03 0.8028 16 Cu+ 0.4184529E-14 0.3084000E-07 0.1953545E-02 -7.1563 17 Pb++ 0.3735401E-14 0.4351229E-09 0.8987573E-04 -0.1971 18 Hg++ 0.2324845E-37 0.5251872E-11 0.1050232E-05 -23.4047 19 F- 0.3333424E-03 0.3374285E-03 0.6390744E+01 3.7420 Component Tot moles Aq. moles Solid moles Gas moles 1 H+ 0.1822172E+00 0.2196538E-03 -.7802407E-05 0.1820054E+00 2 H2O 0.5550825E+02 0.4012183E+02 -.1231602E-01 0.1539874E+02 3 Cl- 0.3072017E-01 0.3072017E-01 0.0000000E+00 0.4805259E-10 4 SO4-- -.4257700E-02 0.7653423E-06 0.1002062E-08 -.4258466E-02 5 HCO3- 0.1832100E+00 0.2341113E-02 0.0000000E+00 0.1808689E+00 6 HS- 0.9985820E-02 0.3323575E-03 0.5525657E-07 0.9653407E-02 7 H4SiO4 0.7855346E-02 0.1695391E-02 0.6159955E-02 0.0000000E+00 8 Al+++ 0.2253680E-05 0.3228039E-06 0.1930876E-05 0.0000000E+00 9 Ca++ 0.3561400E-04 0.3561400E-04 0.0000000E+00 0.0000000E+00 10 Mg++ 0.2355503E-06 0.2157634E-06 0.1978691E-07 0.0000000E+00 11 Fe++ 0.8017372E-08 0.3494209E-12 0.8017023E-08 0.0000000E+00 12 K+ 0.3715700E-02 0.3713777E-02 0.1922961E-05 0.0000000E+00 13 Na+ 0.2963300E-01 0.2963300E-01 0.0000000E+00 0.0000000E+00 14 Mn++ 0.2740424E-08 0.2738828E-08 0.1595744E-11 0.0000000E+00 15 Zn++ 0.1530000E-07 0.1892841E-08 0.1340716E-07 0.0000000E+00 16 Cu+ 0.6237410E-07 0.2229161E-07 0.4008249E-07 0.0000000E+00 17 Pb++ 0.1110000E-07 0.3145132E-09 0.1078549E-07 0.0000000E+00 18 Hg++ 0.4000000E-08 0.3796131E-11 0.0000000E+00 0.3996204E-08 19 F- 0.2439100E-03 0.2438983E-03 0.0000000E+00 0.1167089E-07 Chg. balance for solid moles: -.3974E-17 Mass of aqueous solution: 0.725046E+03 g Temperature = 152.00 C Pressure = 4.98 bar Mixer frac. = 0.0000000 Log Log Vol Gas or mineral Moles Moles Grams Grams Wt.% (cm3) H2O,gas 15.57 1.192 280.4 2.448 97.20 0.1056E+06 CO2,gas 0.1777 -0.750 7.819 0.893 2.711 1284. CH4,gas 0.3196E-02 -2.495 0.5127E-01 -1.290 0.1777E-01 23.56 H2,gas 0.4249E-02 -2.372 0.8583E-02 -2.066 0.2975E-02 30.20 H2S,gas 0.5395E-02 -2.268 0.1839 -0.736 0.6374E-01 37.74 CO,gas 0.6869E-07 -7.163 0.1924E-05 -5.716 0.6670E-06 0.4871E-03 SO2,gas 0.2027E-14 -14.693 0.1298E-12 -12.887 0.4501E-13 0.1437E-10 HF,gas 0.1167E-07 -7.933 0.2334E-06 -6.632 0.8092E-07 0.8276E-04 HCl,gas 0.4805E-10 -10.318 0.1752E-08 -8.756 0.6074E-09 0.3408E-06 Hg,gas 0.3996E-08 -8.398 0.8016E-06 -6.096 0.2779E-06 0.2834E-04 clinochlore 0.3957E-08 -8.403 0.2200E-05 -5.658 0.5940E-03 0.8367E-06 daphnite 0.1050E-12 -12.979 0.7488E-10 -10.126 0.2022E-07 0.2269E-10 chlorite-Mn 0.3191E-12 -12.496 0.2263E-09 -9.645 0.6111E-07 0.7211E-10 microcline 0.1923E-05 -5.716 0.5352E-03 -3.271 0.1445 0.2091E-03 quartz 0.6154E-02 -2.211 0.3697 -0.432 99.85 0.1396 bornite 0.8016E-08 -8.096 0.4023E-05 -5.395 0.1086E-02 0.7914E-06 galena 0.1079E-07 -7.967 0.2580E-05 -5.588 0.6969E-03 0.3396E-06 sphalerite 0.1341E-07 -7.873 0.1306E-05 -5.884 0.3528E-03 0.3195E-06 Partial press. Fugacity coef Log fugacity Gas or Mineral Mole fraction or activity Activity coef Log activity H2O,gas 0.9879E+00 0.4924E+01 0.9579 0.674 CO2,gas 0.1127E-01 0.5620E-01 1.0162 -1.243 CH4,gas 0.2028E-03 0.1011E-02 1.0386 -2.979 H2,gas 0.2696E-03 0.1344E-02 1.0023 -2.871 H2S,gas 0.3423E-03 0.1706E-02 0.9866 -2.774 CO,gas 0.4358E-08 0.2173E-07 1.0000 -7.663 SO2,gas 0.1286E-15 0.6411E-15 1.0000 -15.193 HF,gas 0.7406E-09 0.3691E-08 1.0000 -8.433 HCl,gas 0.3049E-11 0.1520E-10 1.0000 -10.818 Hg,gas 0.2536E-09 0.1264E-08 1.0000 -8.898 clinochlore 0.9999E+00 0.9999E+00 1.0000 -0.000 daphnite 0.2652E-04 0.2652E-04 1.0000 -4.576 chlorite-Mn 0.8064E-04 0.8064E-04 1.0000 -4.093 microcline 0.1000E+01 0.1000E+01 1.0000 0.000 quartz 0.1000E+01 0.1000E+01 1.0000 0.000 bornite 0.1000E+01 0.1000E+01 1.0000 0.000 galena 0.1000E+01 0.1000E+01 1.0000 0.000 sphalerite 0.1000E+01 0.1000E+01 1.0000 0.000 Current weight percent of gas: 28.451230 % Solid products produced: Mass = 0.370288 g Volume = 0.139842 cm3 WARNING: mineral volume may be in error because some mineral densities were not supplied in SOLTHERM. See mineral list in file Skip_Species.txt. NON-Ideal mixing with H2O, CO2, CH4 Gases ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ The following gases and minerals are presently in matrix or were just added Gas or Mineral Log K Log Q Log(Q/K) Log(Q/K)/S Affinity Log Fugacity 1 H2O,gas 0.02 0.02 -0.00 -0.000 0.60300E-10 2 CO2,gas -8.08 -8.08 0.00 0.000 -0.27646E-10 3 CH4,gas 3.66 3.66 0.00 0.000 -0.55292E-10 4 H2,gas 6.07 6.07 0.00 0.000 -0.17279E-11 5 H2S,gas -7.39 -7.39 -0.00 -0.000 0.19007E-10 6 CO,gas 0.84 0.84 -0.00 -0.000 0.17279E-11 7 SO2,gas -2.47 -2.47 0.00 0.000 -0.86394E-12 8 HF,gas -1.81 -1.81 -0.00 -0.000 0.17279E-11 9 HCl,gas 2.67 2.67 -0.00 -0.000 0.17279E-11 10 Hg,gas -11.31 -11.31 0.00 0.000 -0.13823E-10 43 clinochlore 29.22 29.22 0.00 0.000 -0.69115E-11 44 daphnite 20.22 20.22 -0.00 -0.000 0.69115E-11 45 chlorite-Mn 37.23 37.23 -0.00 -0.000 0.13823E-10 115 microcline -3.47 -3.47 -0.00 -0.000 0.16415E-10 146 quartz -2.65 -2.65 0.00 0.000 0.00000E+00 198 bornite -79.23 -79.23 0.00 0.000 -0.55292E-10 249 galena -11.06 -11.06 0.00 0.000 0.00000E+00 260 sphalerite -10.06 -10.06 0.00 0.000 0.00000E+00 The following gases and minerals are presently EXCLUDED from matrix (Gases and minerals with log(Q/K) less than -5 are not listed below) Gas or Mineral Log K Log Q Log(Q/K) Log(Q/K)/S Affinity Log Fugacity 15 albite-high -0.96 -2.58 -1.62 -0.125 0.31550E+04 16 albite -1.79 -2.58 -0.78 -0.060 0.15250E+04 20 analcite 1.56 0.07 -1.49 -0.166 0.28988E+04 21 andalusite 0.97 -3.56 -4.53 -0.453 0.88068E+04 23 grossular 24.98 20.64 -4.34 -0.217 0.84339E+04 24 anhydrite -6.29 -11.03 -4.74 -2.372 0.92306E+04 27 phlogopite 21.06 19.38 -1.68 -0.094 0.32763E+04 29 anorthite 7.35 3.63 -3.72 -0.286 0.72371E+04 32 aragonite 0.25 -0.19 -0.44 -0.146 0.85283E+03 33 brucite 10.73 7.62 -3.12 -0.623 0.60633E+04 34 calcite 0.09 -0.19 -0.28 -0.094 0.54951E+03 35 carnegieite-low 6.55 2.72 -3.83 -0.547 0.74447E+04 36 carnegieite-high 7.39 2.72 -4.66 -0.666 0.90753E+04 37 carpholite-Mg 4.16 1.41 -2.75 -0.184 0.53569E+04 39 celadonite 3.26 1.49 -1.77 -0.104 0.34433E+04 41 chrysotile 19.85 17.54 -2.30 -0.192 0.44838E+04 46 chlorite-Al-free 39.21 35.09 -4.12 -0.172 0.80234E+04 47 chloritoid-Mg 7.96 4.06 -3.90 -0.260 0.75893E+04 51 coesite -2.10 -2.65 -0.55 -0.183 0.10695E+04 56 corundum 3.97 -0.90 -4.87 -0.443 0.94827E+04 58 cristobalite -2.32 -2.65 -0.33 -0.111 0.64762E+03 61 cymrite-K 0.27 -3.47 -3.74 -0.312 0.72747E+04 63 diaspore 1.04 -0.45 -1.49 -0.249 0.29026E+04 64 diamond -2.50 -5.02 -2.53 -0.722 0.49137E+04 65 diopside 13.43 12.15 -1.29 -0.129 0.25018E+04 67 dolomite,ordered -1.05 -2.60 -1.55 -0.259 0.30247E+04 69 enstatite 13.98 9.93 -4.05 -0.405 0.78745E+04 71 clinoenstatite 13.89 9.93 -3.96 -0.396 0.77101E+04 72 protoenstatite 14.44 9.93 -4.51 -0.451 0.87708E+04 74 clinozoisite 14.63 10.36 -4.27 -0.194 0.83163E+04 78 forsterite 17.27 12.58 -4.69 -0.670 0.91297E+04 81 gibbsite 2.28 -0.45 -2.74 -0.391 0.53224E+04 82 glaucophane 16.33 12.39 -3.94 -0.107 0.76689E+04 85 graphite -2.91 -5.02 -2.11 -0.603 0.41043E+04 88 halite 1.43 -3.01 -4.45 -2.225 0.86555E+04 90 heulandite -8.45 -9.63 -1.18 -0.054 0.22974E+04 94 jadeite 2.48 0.07 -2.41 -0.241 0.46885E+04 96 kalsilite 5.39 1.83 -3.56 -0.508 0.69234E+04 97 kaolinite -3.99 -6.21 -2.22 -0.202 0.43134E+04 98 kyanite 0.93 -3.56 -4.48 -0.448 0.87183E+04 100 laumontite -0.48 -1.67 -1.20 -0.080 0.23294E+04 101 lawsonite 5.51 3.63 -1.88 -0.125 0.36591E+04 102 leucite 2.20 -0.82 -3.01 -0.301 0.58648E+04 104 lizardite 19.36 17.54 -1.81 -0.151 0.35296E+04 105 magnesite -0.31 -2.41 -2.10 -0.699 0.40812E+04 108 minnesotaite-Mg 16.65 12.24 -4.40 -0.259 0.85665E+04 119 muscovite -2.07 -4.37 -2.31 -0.136 0.44898E+04 120 paragonite -0.73 -3.48 -2.76 -0.162 0.53606E+04 121 nepheline 5.93 2.72 -3.21 -0.458 0.62411E+04 133 phlogopite-Na 23.16 20.27 -2.89 -0.161 0.56307E+04 135 prehnite 13.44 10.81 -2.63 -0.155 0.51146E+04 141 pyrite -20.09 -22.98 -2.89 -0.680 0.56248E+04 142 pyrrhotite -4.74 -9.62 -4.88 -1.626 0.94890E+04 143 pyrrhotiteFe0.875 -6.24 -10.09 -3.85 -1.416 0.74906E+04 144 pyroxmangite 6.13 2.47 -3.66 -0.731 0.71131E+04 145 pyrophyllite -8.54 -11.51 -2.97 -0.185 0.57683E+04 151 rhodochrosite -1.55 -4.90 -3.36 -1.119 0.65285E+04 152 rhodonite 6.16 2.47 -3.69 -0.738 0.71783E+04 153 sanidine -2.41 -3.47 -1.06 -0.082 0.20679E+04 156 sillimanite 1.18 -3.56 -4.74 -0.474 0.92198E+04 163 stilbite -8.96 -9.63 -0.66 -0.032 0.12922E+04 165 stilpnomelane-Mg 19.10 18.43 -0.67 -0.020 0.13092E+04 169 sulfur -8.77 -13.36 -4.59 -1.413 0.89336E+04 171 talc 13.07 12.24 -0.83 -0.049 0.16139E+04 178 topaz-H 1.11 -3.56 -4.66 -0.424 0.90748E+04 179 tridymite -2.36 -2.65 -0.29 -0.097 0.56325E+03 180 tremolite 39.02 36.54 -2.49 -0.067 0.48363E+04 182 troilite-low -4.84 -9.62 -4.78 -1.593 0.92999E+04 188 wairakite -0.01 -1.67 -1.66 -0.098 0.32367E+04 189 walstromite 9.88 7.18 -2.69 -0.539 0.52383E+04 190 wollastonite 8.96 7.18 -1.78 -0.356 0.34594E+04 191 pseudo-wollastonite 9.40 7.18 -2.22 -0.444 0.43168E+04 192 zoisite 14.68 10.36 -4.32 -0.196 0.84037E+04 193 beidellite-Ca -5.18 -9.16 -3.98 -0.246 0.77401E+04 195 beidellite-K -4.85 -9.15 -4.30 -0.264 0.83749E+04 196 beidellite-Mg -5.37 -9.53 -4.16 -0.257 0.80916E+04 197 beidellite-Na -4.73 -8.86 -4.13 -0.253 0.80254E+04 200 chalcedony -2.49 -2.65 -0.16 -0.055 0.31952E+03 201 chalcocite -24.47 -25.17 -0.70 -0.175 0.13607E+04 202 covellite -17.77 -19.27 -1.50 -0.570 0.29119E+04 204 montmorillonite-Ca -4.84 -7.22 -2.39 -0.148 0.46469E+04 205 montmorillonite-K -4.59 -7.22 -2.63 -0.161 0.51130E+04 206 montmorillonite-Mg -5.06 -7.59 -2.53 -0.157 0.49250E+04 207 montmorillonite-Na -4.43 -6.92 -2.49 -0.152 0.48410E+04 229 tobermorite 9.09 5.54 -3.55 -0.968 0.69007E+04 235 alabandite -1.70 -5.74 -4.04 -1.346 0.78571E+04 240 boehmite 2.28 -0.45 -2.73 -0.456 0.53172E+04 242 chalcopyrite -26.39 -28.89 -2.49 -0.464 0.48496E+04 245 copper,native -2.19 -5.91 -3.72 -1.292 0.72288E+04 246 dolomite,disordered -0.50 -2.60 -2.10 -0.350 0.40801E+04 248 fluorite -10.28 -12.06 -1.77 -0.591 0.34514E+04 257 silica-amorphous -1.92 -2.65 -0.73 -0.244 0.14251E+04 261 wurtzite -8.45 -10.06 -1.61 -0.536 0.31288E+04 263 an20ab80 -0.18 -1.34 -1.15 -0.089 0.22441E+04 264 an25ab75 0.25 -1.03 -1.27 -0.098 0.24774E+04 265 an30ab70 0.68 -0.72 -1.40 -0.108 0.27223E+04 Calculations done for 152.0000 Deg. C; 4.9847 bar Enthalpies: Pure water 2.7698 kcal/mole H2O,gas 11.8903 kcal/mole CO2,gas 1.5451 kcal/mole CH4,gas 1.4978 kcal/mole Current solution 111.1314 Gas 185.3992 kcal Total current enthalpy 296.5306 kcal Starting enthalpy 296.5306 kcal Temperature changed by -2.000 degrees to 150.000 degrees C. Solids and gases carried ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ Test file for CHIM-XPT. Boil Broadlands Water Water similar to Broadlands Well No. 2 CHIMRUN demo-2a ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ Number of loops used = 9 Loop limit = 200 Temperature = 150.00 C Pressure = 4.72 bar Mixer fraction = 0.0000000 Total current enthalpy = 296.5306 KCAL Water: Moles liquid = 0.3994E+02 kg liquid = 0.7195E+00 Moles total = 0.5551E+02 kg total = 0.1000E+01 Activity = 1.0000 Stoichiometric ionic strength = .4663588E-01 Osmotic coef. = 0.9271 True ionic strength = .4581580E-01 Chg. balance for total moles = 0.2402E-07 Max. difference allowed = 0.3072E-05 Log Log Log Species(n) Molality Molality Activity Activity Gamma Gamma 1 H+ 0.57190E-07 -7.2427 0.43810E-07 -7.3584 0.76604E+00 -0.1157 2 H2O 0.99999E+00 -0.0000 0.99999E+00 -0.0000 3 Cl- 0.42088E-01 -1.3758 0.31871E-01 -1.4966 0.75725E+00 -0.1208 4 SO4-- 0.20047E-05 -5.6980 0.71111E-06 -6.1481 0.35473E+00 -0.4501 5 HCO3- 0.27574E-02 -2.5595 0.20968E-02 -2.6784 0.76043E+00 -0.1189 6 HS- 0.39864E-03 -3.3994 0.30200E-03 -3.5200 0.75758E+00 -0.1206 7 H4SiO4 0.21727E-02 -2.6630 0.21727E-02 -2.6630 0.10000E+01 0.0000 8 Al+++ 0.34782E-21 -21.4586 0.33394E-22 -22.4763 0.96011E-01 -1.0177 9 Ca++ 0.40836E-04 -4.3890 0.14229E-04 -4.8468 0.34844E+00 -0.4579 10 Mg++ 0.25998E-06 -6.5851 0.89478E-07 -7.0483 0.34417E+00 -0.4632 11 Fe++ 0.74347E-13 -13.1287 0.25665E-13 -13.5907 0.34520E+00 -0.4619 12 K+ 0.51541E-02 -2.2879 0.39229E-02 -2.4064 0.76113E+00 -0.1185 13 Na+ 0.40521E-01 -1.3923 0.30682E-01 -1.5131 0.75717E+00 -0.1208 14 Mn++ 0.78282E-09 -9.1063 0.27084E-09 -9.5673 0.34598E+00 -0.4609 15 Zn++ 0.36265E-13 -13.4405 0.12519E-13 -13.9024 0.34520E+00 -0.4619 16 Cu+ 0.38089E-14 -14.4192 0.28835E-14 -14.5401 0.75706E+00 -0.1209 17 Pb++ 0.33579E-14 -14.4739 0.11791E-14 -14.9284 0.35115E+00 -0.4545 18 Hg++ 0.18879E-37 -37.7240 0.66051E-38 -38.1801 0.34986E+00 -0.4561 19 F- 0.33497E-03 -3.4750 0.25189E-03 -3.5988 0.75197E+00 -0.1238 21 HSiO3- 0.89575E-04 -4.0478 0.67831E-04 -4.1686 0.75725E+00 -0.1208 22 Ca(HSiO3)+ 0.72759E-07 -7.1381 0.55411E-07 -7.2564 0.76156E+00 -0.1183 23 Mg(HSiO3)+ 0.46498E-09 -9.3326 0.35412E-09 -9.4509 0.76156E+00 -0.1183 24 NaHSiO3,aq 0.23297E-04 -4.6327 0.23297E-04 -4.6327 0.10000E+01 0.0000 27 HAlO2,aq 0.18321E-08 -8.7370 0.18321E-08 -8.7370 0.10000E+01 0.0000 28 AlO2- 0.41471E-06 -6.3823 0.31217E-06 -6.5056 0.75274E+00 -0.1234 29 CH4,aq 0.87471E-06 -6.0581 0.86225E-06 -6.0644 0.98575E+00 -0.0062 34 CO,aq 0.17979E-10 -10.7452 0.17979E-10 -10.7452 0.10000E+01 0.0000 35 CO2,aq 0.42694E-03 -3.3696 0.42086E-03 -3.3759 0.98575E+00 -0.0062 36 CO3-2 0.85596E-05 -5.0675 0.30199E-05 -5.5200 0.35281E+00 -0.4525 37 CaCO3,aq 0.21936E-05 -5.6588 0.21936E-05 -5.6588 0.10000E+01 0.0000 38 Ca(HCO3)+ 0.27607E-05 -5.5590 0.21025E-05 -5.6773 0.76156E+00 -0.1183 39 CaCl+ 0.28632E-05 -5.5431 0.21805E-05 -5.6614 0.76156E+00 -0.1183 40 CaCl2,aq 0.18922E-07 -7.7230 0.18922E-07 -7.7230 0.10000E+01 0.0000 41 CaF+ 0.21022E-06 -6.6773 0.16009E-06 -6.7956 0.76156E+00 -0.1183 42 CaOH+ 0.53320E-06 -6.2731 0.40606E-06 -6.3914 0.76156E+00 -0.1183 43 CaSO4,aq 0.82244E-08 -8.0849 0.82244E-08 -8.0849 0.10000E+01 0.0000 44 HCl,aq 0.42361E-09 -9.3730 0.42361E-09 -9.3730 0.10000E+01 0.0000 61 HF,aq 0.24031E-06 -6.6192 0.24031E-06 -6.6192 0.10000E+01 0.0000 62 HF2- 0.27845E-10 -10.5553 0.21085E-10 -10.6760 0.75725E+00 -0.1208 76 H2,aq 0.13209E-05 -5.8791 0.13020E-05 -5.8854 0.98575E+00 -0.0062 90 KCl,aq 0.69503E-05 -5.1580 0.69503E-05 -5.1580 0.10000E+01 0.0000 92 KOH,aq 0.25179E-06 -6.5990 0.25179E-06 -6.5990 0.10000E+01 0.0000 93 KSO4- 0.12227E-06 -6.9127 0.92586E-07 -7.0335 0.75725E+00 -0.1208 94 MgCO3,aq 0.25334E-08 -8.5963 0.25334E-08 -8.5963 0.10000E+01 0.0000 95 Mg(HCO3)+ 0.17522E-07 -7.7564 0.13344E-07 -7.8747 0.76156E+00 -0.1183 96 MgCl+ 0.12895E-07 -7.8896 0.98201E-08 -8.0079 0.76156E+00 -0.1183 97 MgF+ 0.43673E-08 -8.3598 0.33260E-08 -8.4781 0.76156E+00 -0.1183 98 MgOH+ 0.13723E-07 -7.8626 0.10451E-07 -7.9809 0.76156E+00 -0.1183 101 MnO,aq 0.11287E-10 -10.9474 0.11287E-10 -10.9474 0.10000E+01 0.0000 102 MnOH+ 0.21950E-09 -9.6586 0.16716E-09 -9.7769 0.76156E+00 -0.1183 107 MnCl+ 0.33528E-09 -9.4746 0.25534E-09 -9.5929 0.76156E+00 -0.1183 109 NaCl,aq 0.59741E-03 -3.2237 0.59741E-03 -3.2237 0.10000E+01 0.0000 110 NaF,aq 0.35488E-05 -5.4499 0.35488E-05 -5.4499 0.10000E+01 0.0000 111 NaOH,aq 0.15970E-05 -5.7967 0.15970E-05 -5.7967 0.10000E+01 0.0000 113 OH- 0.70922E-04 -4.1492 0.53386E-04 -4.2726 0.75274E+00 -0.1234 124 Pb(HS)2,aq 0.31884E-09 -9.4964 0.31884E-09 -9.4964 0.10000E+01 0.0000 126 H2S,aq 0.48174E-04 -4.3172 0.47487E-04 -4.3234 0.98575E+00 -0.0062 127 S2-2 0.64545E-10 -10.1901 0.22772E-10 -10.6426 0.35281E+00 -0.4525 135 HSO4- 0.21567E-09 -9.6662 0.16463E-09 -9.7835 0.76334E+00 -0.1173 154 ZnOH+ 0.37695E-10 -10.4237 0.28707E-10 -10.5420 0.76156E+00 -0.1183 164 Cu(HS)2- 0.30249E-07 -7.5193 0.22906E-07 -7.6401 0.75725E+00 -0.1208 166 CuH4S3-b 0.72826E-09 -9.1377 0.55148E-09 -9.2585 0.75725E+00 -0.1208 179 MgSO4,aq 0.20121E-09 -9.6963 0.20121E-09 -9.6963 0.10000E+01 0.0000 180 MnCl2,aq 0.36267E-10 -10.4405 0.36267E-10 -10.4405 0.10000E+01 0.0000 182 MnCO3,aq 0.24138E-08 -8.6173 0.24138E-08 -8.6173 0.10000E+01 0.0000 183 NaCO3- 0.28031E-05 -5.5524 0.21226E-05 -5.6731 0.75725E+00 -0.1208 184 NaHCO3,aq 0.29406E-04 -4.5316 0.29406E-04 -4.5316 0.10000E+01 0.0000 185 NaHS,aq 0.42354E-05 -5.3731 0.42354E-05 -5.3731 0.10000E+01 0.0000 186 NaSO4- 0.37982E-06 -6.4204 0.28762E-06 -6.5412 0.75725E+00 -0.1208 187 PbCO3,aq 0.71048E-10 -10.1484 0.71048E-10 -10.1484 0.10000E+01 0.0000 193 Zn(HS)2,aq 0.22781E-08 -8.6424 0.22781E-08 -8.6424 0.10000E+01 0.0000 194 Zn(HS)3- 0.72169E-10 -10.1417 0.54650E-10 -10.2624 0.75725E+00 -0.1208 Charge balance for all species = 0.3338E-07 Component Molality Aq.molality ppm log[A(N)/A(H+)**Z] (total) 1 H+ 0.5718958E-07 0.2735930E-03 0.2749152E+00 -0.0000 2 H2O 0.1000000E+01 0.5550779E+02 0.9969066E+06 0.0000 3 Cl- 0.4208771E-01 0.4269499E-01 0.1508999E+04 5.8618 4 SO4-- 0.2004660E-05 0.1310472E-05 0.1254980E+00 8.5688 5 HCO3- 0.2757429E-02 0.3230990E-02 0.1965382E+03 4.6800 6 HS- 0.3986393E-03 0.4523217E-03 0.1491307E+02 3.8384 7 H4SiO4 0.2172664E-02 0.2285609E-02 0.2190050E+03 -2.6630 8 Al+++ 0.3478196E-21 0.4165450E-06 0.1120436E-01 -0.4010 9 Ca++ 0.4083558E-04 0.4949646E-04 0.1977603E+01 9.8700 10 Mg++ 0.2599845E-06 0.3116903E-06 0.7554454E-02 7.6686 11 Fe++ 0.7434730E-13 0.3350037E-12 0.1865127E-07 1.1262 12 K+ 0.5154058E-02 0.5161383E-02 0.2011982E+03 4.9520 13 Na+ 0.4052136E-01 0.4118404E-01 0.9438940E+03 5.8453 14 Mn++ 0.7828219E-09 0.3807460E-08 0.2085294E-03 5.1496 15 Zn++ 0.3626455E-13 0.2391394E-08 0.1558435E-03 0.8144 16 Cu+ 0.3808861E-14 0.3097800E-07 0.1962274E-02 -7.1816 17 Pb++ 0.3357851E-14 0.3943427E-09 0.8145199E-04 -0.2116 18 Hg++ 0.1887923E-37 0.4992275E-11 0.9983134E-06 -23.4633 19 F- 0.3349680E-03 0.3389718E-03 0.6419933E+01 3.7596 Component Tot moles Aq. moles Solid moles Gas moles 1 H+ 0.1822172E+00 0.1968574E-03 -.7881355E-05 0.1820282E+00 2 H2O 0.5550825E+02 0.3993931E+02 -.1241766E-01 0.1558136E+02 3 Cl- 0.3072017E-01 0.3072017E-01 0.0000000E+00 0.4398134E-10 4 SO4-- -.4257700E-02 0.9429193E-06 0.1002115E-08 -.4258644E-02 5 HCO3- 0.1832100E+00 0.2324782E-02 0.0000000E+00 0.1808852E+00 6 HS- 0.9985820E-02 0.3254573E-03 0.5546117E-07 0.9660307E-02 7 H4SiO4 0.7855346E-02 0.1644556E-02 0.6210790E-02 0.0000000E+00 8 Al+++ 0.2253680E-05 0.2997151E-06 0.1953965E-05 0.0000000E+00 9 Ca++ 0.3561400E-04 0.3561400E-04 0.0000000E+00 0.0000000E+00 10 Mg++ 0.2355503E-06 0.2242694E-06 0.1128091E-07 0.0000000E+00 11 Fe++ 0.8017372E-08 0.2410439E-12 0.8017131E-08 0.0000000E+00 12 K+ 0.3715700E-02 0.3713751E-02 0.1949452E-05 0.0000000E+00 13 Na+ 0.2963300E-01 0.2963300E-01 0.0000000E+00 0.0000000E+00 14 Mn++ 0.2740424E-08 0.2739568E-08 0.8561328E-12 0.0000000E+00 15 Zn++ 0.1530000E-07 0.1720670E-08 0.1357933E-07 0.0000000E+00 16 Cu+ 0.6237410E-07 0.2228948E-07 0.4008461E-07 0.0000000E+00 17 Pb++ 0.1110000E-07 0.2837399E-09 0.1081626E-07 0.0000000E+00 18 Hg++ 0.4000000E-08 0.3592073E-11 0.0000000E+00 0.3996408E-08 19 F- 0.2439100E-03 0.2438991E-03 0.0000000E+00 0.1089126E-07 Chg. balance for solid moles: 0.3665E-16 Mass of aqueous solution: 0.721751E+03 g Temperature = 150.00 C Pressure = 4.72 bar Mixer frac. = 0.0000000 Log Log Vol Gas or mineral Moles Moles Grams Grams Wt.% (cm3) H2O,gas 15.75 1.197 283.7 2.453 97.24 0.1124E+06 CO2,gas 0.1777 -0.750 7.819 0.893 2.680 1348. CH4,gas 0.3214E-02 -2.493 0.5155E-01 -1.288 0.1767E-01 24.85 H2,gas 0.4178E-02 -2.379 0.8439E-02 -2.074 0.2893E-02 31.19 H2S,gas 0.5402E-02 -2.267 0.1841 -0.735 0.6310E-01 39.71 CO,gas 0.6311E-07 -7.200 0.1768E-05 -5.753 0.6059E-06 0.4700E-03 SO2,gas 0.1766E-14 -14.753 0.1131E-12 -12.946 0.3878E-13 0.1315E-10 HF,gas 0.1089E-07 -7.963 0.2178E-06 -6.662 0.7466E-07 0.8113E-04 HCl,gas 0.4398E-10 -10.357 0.1604E-08 -8.795 0.5496E-09 0.3276E-06 Hg,gas 0.3996E-08 -8.398 0.8016E-06 -6.096 0.2748E-06 0.2977E-04 clinochlore 0.2256E-08 -8.647 0.1254E-05 -5.902 0.3359E-03 0.4770E-06 daphnite 0.4159E-13 -13.381 0.2968E-10 -10.528 0.7949E-08 0.8993E-11 chlorite-Mn 0.1712E-12 -12.766 0.1214E-09 -9.916 0.3252E-07 0.3869E-10 microcline 0.1949E-05 -5.710 0.5426E-03 -3.266 0.1453 0.2120E-03 quartz 0.6205E-02 -2.207 0.3728 -0.429 99.85 0.1408 bornite 0.8017E-08 -8.096 0.4023E-05 -5.395 0.1078E-02 0.7914E-06 galena 0.1082E-07 -7.966 0.2588E-05 -5.587 0.6931E-03 0.3406E-06 sphalerite 0.1358E-07 -7.867 0.1323E-05 -5.878 0.3544E-03 0.3236E-06 Partial press. Fugacity coef Log fugacity Gas or Mineral Mole fraction or activity Activity coef Log activity H2O,gas 0.9881E+00 0.4667E+01 0.9593 0.651 CO2,gas 0.1114E-01 0.5264E-01 1.0158 -1.272 CH4,gas 0.2016E-03 0.9523E-03 1.0372 -3.005 H2,gas 0.2621E-03 0.1238E-02 1.0022 -2.906 H2S,gas 0.3388E-03 0.1600E-02 0.9871 -2.801 CO,gas 0.3958E-08 0.1870E-07 1.0000 -7.728 SO2,gas 0.1108E-15 0.5232E-15 1.0000 -15.281 HF,gas 0.6832E-09 0.3227E-08 1.0000 -8.491 HCl,gas 0.2759E-11 0.1303E-10 1.0000 -10.885 Hg,gas 0.2507E-09 0.1184E-08 1.0000 -8.927 clinochlore 0.9999E+00 0.9999E+00 1.0000 -0.000 daphnite 0.1843E-04 0.1843E-04 1.0000 -4.734 chlorite-Mn 0.7589E-04 0.7589E-04 1.0000 -4.120 microcline 0.1000E+01 0.1000E+01 1.0000 0.000 quartz 0.1000E+01 0.1000E+01 1.0000 0.000 bornite 0.1000E+01 0.1000E+01 1.0000 0.000 galena 0.1000E+01 0.1000E+01 1.0000 0.000 sphalerite 0.1000E+01 0.1000E+01 1.0000 0.000 Current weight percent of gas: 28.775775 % Solid products produced: Mass = 0.373344 g Volume = 0.140997 cm3 WARNING: mineral volume may be in error because some mineral densities were not supplied in SOLTHERM. See mineral list in file Skip_Species.txt. NON-Ideal mixing with H2O, CO2, CH4 Gases ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ The following gases and minerals are presently in matrix or were just added Gas or Mineral Log K Log Q Log(Q/K) Log(Q/K)/S Affinity Log Fugacity 1 H2O,gas 0.02 0.02 -0.00 -0.000 0.34261E-10 2 CO2,gas -8.09 -8.09 0.00 0.000 -0.13758E-10 3 CH4,gas 3.63 3.63 0.00 0.000 -0.31815E-10 4 H2,gas 6.08 6.08 0.00 0.000 -0.17197E-11 5 H2S,gas -7.40 -7.40 -0.00 -0.000 0.68790E-11 6 CO,gas 0.86 0.86 0.00 0.000 -0.12898E-11 7 SO2,gas -2.41 -2.41 0.00 0.000 -0.17197E-11 8 HF,gas -1.79 -1.79 0.00 0.000 -0.17197E-11 9 HCl,gas 2.70 2.70 -0.00 -0.000 0.85987E-12 10 Hg,gas -11.37 -11.37 -0.00 -0.000 0.13758E-10 43 clinochlore 29.55 29.55 -0.00 -0.000 0.68790E-11 44 daphnite 20.51 20.51 -0.00 -0.000 0.13758E-10 45 chlorite-Mn 37.56 37.56 -0.00 -0.000 0.55032E-10 115 microcline -3.44 -3.44 -0.00 -0.000 0.42994E-11 146 quartz -2.66 -2.66 0.00 0.000 0.00000E+00 198 bornite -79.54 -79.54 0.00 0.000 0.00000E+00 249 galena -11.09 -11.09 0.00 0.000 -0.68790E-11 260 sphalerite -10.06 -10.06 0.00 0.000 0.00000E+00 The following gases and minerals are presently EXCLUDED from matrix (Gases and minerals with log(Q/K) less than -5 are not listed below) Gas or Mineral Log K Log Q Log(Q/K) Log(Q/K)/S Affinity Log Fugacity 15 albite-high -0.90 -2.54 -1.64 -0.126 0.31827E+04 16 albite -1.75 -2.54 -0.80 -0.061 0.15446E+04 20 analcite 1.62 0.12 -1.50 -0.167 0.29116E+04 21 andalusite 1.11 -3.47 -4.58 -0.458 0.88586E+04 23 grossular 25.25 20.82 -4.43 -0.221 0.85699E+04 24 anhydrite -6.25 -10.99 -4.75 -2.373 0.91912E+04 27 phlogopite 21.26 19.57 -1.69 -0.094 0.32806E+04 29 anorthite 7.53 3.74 -3.79 -0.291 0.73366E+04 32 aragonite 0.27 -0.17 -0.44 -0.147 0.85358E+03 33 brucite 10.79 7.67 -3.13 -0.625 0.60517E+04 34 calcite 0.12 -0.17 -0.28 -0.095 0.55153E+03 35 carnegieite-low 6.63 2.78 -3.85 -0.551 0.74618E+04 36 carnegieite-high 7.48 2.78 -4.70 -0.671 0.90999E+04 37 carpholite-Mg 4.31 1.54 -2.77 -0.185 0.53683E+04 39 celadonite 3.33 1.57 -1.77 -0.104 0.34183E+04 41 chrysotile 19.98 17.68 -2.30 -0.192 0.44617E+04 46 chlorite-Al-free 39.48 35.36 -4.12 -0.172 0.79746E+04 47 chloritoid-Mg 8.14 4.20 -3.94 -0.262 0.76221E+04 51 coesite -2.11 -2.66 -0.55 -0.184 0.10688E+04 56 corundum 4.12 -0.80 -4.92 -0.448 0.95343E+04 58 cristobalite -2.33 -2.66 -0.34 -0.112 0.65058E+03 61 cymrite-K 0.32 -3.44 -3.75 -0.313 0.72687E+04 63 diaspore 1.10 -0.40 -1.50 -0.251 0.29122E+04 64 diamond -2.52 -5.04 -2.53 -0.722 0.48941E+04 65 diopside 13.53 12.21 -1.31 -0.131 0.25431E+04 67 dolomite,ordered -0.99 -2.54 -1.55 -0.258 0.29957E+04 69 enstatite 14.09 10.01 -4.08 -0.408 0.78919E+04 71 clinoenstatite 14.00 10.01 -3.99 -0.399 0.77273E+04 72 protoenstatite 14.55 10.01 -4.54 -0.454 0.87903E+04 74 clinozoisite 14.91 10.55 -4.37 -0.198 0.84519E+04 78 forsterite 17.40 12.67 -4.72 -0.675 0.91486E+04 81 gibbsite 2.35 -0.40 -2.75 -0.392 0.53171E+04 82 glaucophane 16.55 12.59 -3.96 -0.107 0.76729E+04 85 graphite -2.93 -5.04 -2.11 -0.603 0.40867E+04 88 halite 1.44 -3.01 -4.45 -2.225 0.86178E+04 90 heulandite -8.36 -9.57 -1.21 -0.055 0.23469E+04 94 jadeite 2.54 0.12 -2.42 -0.242 0.46930E+04 96 kalsilite 5.46 1.89 -3.58 -0.511 0.69260E+04 97 kaolinite -3.90 -6.13 -2.23 -0.203 0.43161E+04 98 kyanite 1.06 -3.47 -4.53 -0.453 0.87656E+04 100 laumontite -0.36 -1.58 -1.22 -0.081 0.23624E+04 101 lawsonite 5.65 3.74 -1.91 -0.127 0.36926E+04 102 leucite 2.26 -0.78 -3.04 -0.304 0.58766E+04 104 lizardite 19.49 17.68 -1.81 -0.151 0.35013E+04 105 magnesite -0.28 -2.37 -2.09 -0.697 0.40512E+04 108 minnesotaite-Mg 16.78 12.35 -4.42 -0.260 0.85646E+04 119 muscovite -1.91 -4.24 -2.33 -0.137 0.45155E+04 120 paragonite -0.56 -3.35 -2.79 -0.164 0.54018E+04 121 nepheline 6.01 2.78 -3.23 -0.462 0.62594E+04 133 phlogopite-Na 23.38 20.46 -2.92 -0.162 0.56539E+04 135 prehnite 13.64 10.95 -2.69 -0.158 0.52144E+04 141 pyrite -20.12 -23.13 -3.00 -0.707 0.58170E+04 143 pyrrhotiteFe0.875 -6.22 -10.20 -3.98 -1.463 0.77016E+04 144 pyroxmangite 6.17 2.49 -3.69 -0.737 0.71360E+04 145 pyrophyllite -8.46 -11.45 -2.99 -0.187 0.57915E+04 151 rhodochrosite -1.52 -4.89 -3.36 -1.121 0.65122E+04 152 rhodonite 6.21 2.49 -3.72 -0.744 0.72018E+04 153 sanidine -2.37 -3.44 -1.07 -0.082 0.20679E+04 156 sillimanite 1.32 -3.47 -4.79 -0.479 0.92729E+04 163 stilbite -8.92 -9.57 -0.66 -0.031 0.12684E+04 165 stilpnomelane-Mg 19.38 18.71 -0.67 -0.020 0.12977E+04 169 sulfur -8.78 -13.38 -4.60 -1.414 0.89011E+04 171 talc 13.19 12.35 -0.83 -0.049 0.16096E+04 178 topaz-H 1.23 -3.47 -4.70 -0.427 0.90909E+04 179 tridymite -2.37 -2.66 -0.29 -0.097 0.56539E+03 180 tremolite 39.32 36.78 -2.54 -0.069 0.49182E+04 182 troilite-low -4.82 -9.75 -4.93 -1.643 0.95443E+04 188 wairakite 0.12 -1.58 -1.71 -0.100 0.33053E+04 189 walstromite 9.93 7.21 -2.72 -0.545 0.52743E+04 190 wollastonite 9.01 7.21 -1.80 -0.361 0.34949E+04 191 pseudo-wollastonite 9.46 7.21 -2.25 -0.450 0.43546E+04 192 zoisite 14.96 10.55 -4.41 -0.200 0.85391E+04 193 beidellite-Ca -5.06 -9.08 -4.02 -0.249 0.77801E+04 195 beidellite-K -4.74 -9.07 -4.34 -0.266 0.83985E+04 196 beidellite-Mg -5.25 -9.44 -4.20 -0.260 0.81271E+04 197 beidellite-Na -4.62 -8.78 -4.16 -0.255 0.80542E+04 200 chalcedony -2.50 -2.66 -0.16 -0.055 0.31948E+03 201 chalcocite -24.59 -25.24 -0.66 -0.164 0.12696E+04 202 covellite -17.84 -19.31 -1.47 -0.559 0.28432E+04 204 montmorillonite-Ca -4.75 -7.16 -2.41 -0.149 0.46733E+04 205 montmorillonite-K -4.51 -7.16 -2.65 -0.162 0.51252E+04 206 montmorillonite-Mg -4.97 -7.53 -2.55 -0.158 0.49468E+04 207 montmorillonite-Na -4.35 -6.86 -2.51 -0.154 0.48565E+04 229 tobermorite 9.11 5.56 -3.55 -0.970 0.68801E+04 235 alabandite -1.67 -5.73 -4.06 -1.353 0.78609E+04 240 boehmite 2.35 -0.40 -2.76 -0.459 0.53345E+04 242 chalcopyrite -26.46 -29.06 -2.60 -0.483 0.50277E+04 245 copper,native -2.22 -5.93 -3.71 -1.292 0.71919E+04 246 dolomite,disordered -0.44 -2.54 -2.10 -0.349 0.40567E+04 248 fluorite -10.27 -12.04 -1.78 -0.593 0.34454E+04 257 silica-amorphous -1.93 -2.66 -0.74 -0.246 0.14290E+04 261 wurtzite -8.45 -10.06 -1.62 -0.539 0.31290E+04 263 an20ab80 -0.11 -1.29 -1.18 -0.091 0.22817E+04 264 an25ab75 0.33 -0.97 -1.30 -0.100 0.25192E+04 265 an30ab70 0.77 -0.66 -1.43 -0.110 0.27683E+04 Calculations done for 150.0000 Deg. C; 4.7233 bar Enthalpies: Pure water 2.7321 kcal/mole H2O,gas 11.8804 kcal/mole CO2,gas 1.5179 kcal/mole CH4,gas 1.4710 kcal/mole Current solution 109.1206 Gas 187.4100 kcal Total current enthalpy 296.5306 kcal Starting enthalpy 296.5306 kcal Temperature changed by -2.000 degrees to 148.000 degrees C. Solids and gases carried ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ Test file for CHIM-XPT. Boil Broadlands Water Water similar to Broadlands Well No. 2 CHIMRUN demo-2a ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ Number of loops used = 14 Loop limit = 200 Temperature = 148.00 C Pressure = 4.48 bar Mixer fraction = 0.0000000 Total current enthalpy = 296.5306 KCAL Water: Moles liquid = 0.3976E+02 kg liquid = 0.7163E+00 Moles total = 0.5551E+02 kg total = 0.1000E+01 Activity = 1.0000 Stoichiometric ionic strength = .4683432E-01 Osmotic coef. = 0.9275 True ionic strength = .4603757E-01 Chg. balance for total moles = 0.2402E-07 Max. difference allowed = 0.3072E-05 Log Log Log Species(n) Molality Molality Activity Activity Gamma Gamma 1 H+ 0.55202E-07 -7.2580 0.42333E-07 -7.3733 0.76687E+00 -0.1153 2 H2O 0.99999E+00 -0.0000 0.99999E+00 -0.0000 3 Cl- 0.42292E-01 -1.3737 0.32060E-01 -1.4940 0.75808E+00 -0.1203 4 SO4-- 0.21392E-05 -5.6697 0.76200E-06 -6.1180 0.35620E+00 -0.4483 5 HCO3- 0.27765E-02 -2.5565 0.21135E-02 -2.6750 0.76122E+00 -0.1185 6 HS- 0.39428E-03 -3.4042 0.29902E-03 -3.5243 0.75840E+00 -0.1201 7 H4SiO4 0.21145E-02 -2.6748 0.21145E-02 -2.6748 0.10000E+01 0.0000 8 Al+++ 0.34928E-21 -21.4568 0.33857E-22 -22.4704 0.96933E-01 -1.0135 9 Ca++ 0.41211E-04 -4.3850 0.14421E-04 -4.8410 0.34992E+00 -0.4560 10 Mg++ 0.27304E-06 -6.5638 0.94381E-07 -7.0251 0.34567E+00 -0.4613 11 Fe++ 0.51630E-13 -13.2871 0.17900E-13 -13.7471 0.34670E+00 -0.4600 12 K+ 0.51778E-02 -2.2859 0.39450E-02 -2.4039 0.76191E+00 -0.1181 13 Na+ 0.40718E-01 -1.3902 0.30864E-01 -1.5106 0.75799E+00 -0.1203 14 Mn++ 0.77069E-09 -9.1131 0.26780E-09 -9.5722 0.34748E+00 -0.4591 15 Zn++ 0.34614E-13 -13.4607 0.12001E-13 -13.9208 0.34670E+00 -0.4600 16 Cu+ 0.34910E-14 -14.4570 0.26458E-14 -14.5774 0.75788E+00 -0.1204 17 Pb++ 0.30193E-14 -14.5201 0.10647E-14 -14.9728 0.35262E+00 -0.4527 18 Hg++ 0.15702E-37 -37.8040 0.55169E-38 -38.2583 0.35134E+00 -0.4543 19 F- 0.33660E-03 -3.4729 0.25342E-03 -3.5962 0.75287E+00 -0.1233 21 HSiO3- 0.89487E-04 -4.0482 0.67838E-04 -4.1685 0.75808E+00 -0.1203 22 Ca(HSiO3)+ 0.70753E-07 -7.1503 0.53938E-07 -7.2681 0.76234E+00 -0.1179 23 Mg(HSiO3)+ 0.47425E-09 -9.3240 0.36154E-09 -9.4418 0.76234E+00 -0.1179 24 NaHSiO3,aq 0.23646E-04 -4.6262 0.23646E-04 -4.6262 0.10000E+01 0.0000 27 HAlO2,aq 0.17279E-08 -8.7625 0.17279E-08 -8.7625 0.10000E+01 0.0000 28 AlO2- 0.38670E-06 -6.4126 0.29143E-06 -6.5355 0.75363E+00 -0.1228 29 CH4,aq 0.81255E-06 -6.0901 0.80094E-06 -6.0964 0.98571E+00 -0.0063 34 CO,aq 0.15213E-10 -10.8178 0.15213E-10 -10.8178 0.10000E+01 0.0000 35 CO2,aq 0.40120E-03 -3.3966 0.39547E-03 -3.4029 0.98571E+00 -0.0063 36 CO3-2 0.90540E-05 -5.0432 0.32077E-05 -5.4938 0.35429E+00 -0.4506 37 CaCO3,aq 0.22265E-05 -5.6524 0.22265E-05 -5.6524 0.10000E+01 0.0000 38 Ca(HCO3)+ 0.26939E-05 -5.5696 0.20536E-05 -5.6875 0.76234E+00 -0.1179 39 CaCl+ 0.27840E-05 -5.5553 0.21223E-05 -5.6732 0.76234E+00 -0.1179 40 CaCl2,aq 0.18324E-07 -7.7370 0.18324E-07 -7.7370 0.10000E+01 0.0000 41 CaF+ 0.20406E-06 -6.6903 0.15556E-06 -6.8081 0.76234E+00 -0.1179 42 CaOH+ 0.50544E-06 -6.2963 0.38531E-06 -6.4142 0.76234E+00 -0.1179 43 CaSO4,aq 0.85686E-08 -8.0671 0.85686E-08 -8.0671 0.10000E+01 0.0000 44 HCl,aq 0.40043E-09 -9.3975 0.40043E-09 -9.3975 0.10000E+01 0.0000 61 HF,aq 0.22308E-06 -6.6515 0.22308E-06 -6.6515 0.10000E+01 0.0000 62 HF2- 0.26014E-10 -10.5848 0.19721E-10 -10.7051 0.75808E+00 -0.1203 76 H2,aq 0.12000E-05 -5.9208 0.11829E-05 -5.9271 0.98571E+00 -0.0063 90 KCl,aq 0.67366E-05 -5.1716 0.67366E-05 -5.1716 0.10000E+01 0.0000 92 KOH,aq 0.24615E-06 -6.6088 0.24615E-06 -6.6088 0.10000E+01 0.0000 93 KSO4- 0.12731E-06 -6.8951 0.96512E-07 -7.0154 0.75808E+00 -0.1203 94 MgCO3,aq 0.27077E-08 -8.5674 0.27077E-08 -8.5674 0.10000E+01 0.0000 95 Mg(HCO3)+ 0.17816E-07 -7.7492 0.13582E-07 -7.8670 0.76234E+00 -0.1179 96 MgCl+ 0.13161E-07 -7.8807 0.10033E-07 -7.9986 0.76234E+00 -0.1179 97 MgF+ 0.44313E-08 -8.3535 0.33781E-08 -8.4713 0.76234E+00 -0.1179 98 MgOH+ 0.13666E-07 -7.8643 0.10418E-07 -7.9822 0.76234E+00 -0.1179 101 MnO,aq 0.10270E-10 -10.9884 0.10270E-10 -10.9884 0.10000E+01 0.0000 102 MnOH+ 0.20771E-09 -9.6825 0.15834E-09 -9.8004 0.76234E+00 -0.1179 107 MnCl+ 0.31264E-09 -9.5050 0.23834E-09 -9.6228 0.76234E+00 -0.1179 109 NaCl,aq 0.58913E-03 -3.2298 0.58913E-03 -3.2298 0.10000E+01 0.0000 110 NaF,aq 0.34941E-05 -5.4567 0.34941E-05 -5.4567 0.10000E+01 0.0000 111 NaOH,aq 0.15728E-05 -5.8033 0.15728E-05 -5.8033 0.10000E+01 0.0000 113 OH- 0.70201E-04 -4.1537 0.52906E-04 -4.2765 0.75363E+00 -0.1228 124 Pb(HS)2,aq 0.28771E-09 -9.5410 0.28771E-09 -9.5410 0.10000E+01 0.0000 126 H2S,aq 0.45424E-04 -4.3427 0.44775E-04 -4.3490 0.98571E+00 -0.0063 127 S2-2 0.62813E-10 -10.2020 0.22254E-10 -10.6526 0.35429E+00 -0.4506 135 HSO4- 0.20861E-09 -9.6807 0.15940E-09 -9.7975 0.76411E+00 -0.1168 154 ZnOH+ 0.33864E-10 -10.4703 0.25816E-10 -10.5881 0.76234E+00 -0.1179 164 Cu(HS)2- 0.30333E-07 -7.5181 0.22995E-07 -7.6384 0.75808E+00 -0.1203 166 CuH4S3-b 0.78413E-09 -9.1056 0.59443E-09 -9.2259 0.75808E+00 -0.1203 179 MgSO4,aq 0.21839E-09 -9.6608 0.21839E-09 -9.6608 0.10000E+01 0.0000 180 MnCl2,aq 0.32770E-10 -10.4845 0.32770E-10 -10.4845 0.10000E+01 0.0000 182 MnCO3,aq 0.24839E-08 -8.6049 0.24839E-08 -8.6049 0.10000E+01 0.0000 183 NaCO3- 0.29280E-05 -5.5334 0.22197E-05 -5.6537 0.75808E+00 -0.1203 184 NaHCO3,aq 0.29321E-04 -4.5328 0.29321E-04 -4.5328 0.10000E+01 0.0000 185 NaHS,aq 0.41483E-05 -5.3821 0.41483E-05 -5.3821 0.10000E+01 0.0000 186 NaSO4- 0.40171E-06 -6.3961 0.30453E-06 -6.5164 0.75808E+00 -0.1203 187 PbCO3,aq 0.65138E-10 -10.1862 0.65138E-10 -10.1862 0.10000E+01 0.0000 193 Zn(HS)2,aq 0.21109E-08 -8.6755 0.21109E-08 -8.6755 0.10000E+01 0.0000 194 Zn(HS)3- 0.65616E-10 -10.1830 0.49742E-10 -10.3033 0.75808E+00 -0.1203 Charge balance for all species = 0.3354E-07 Component Molality Aq.molality ppm log[A(N)/A(H+)**Z] (total) 1 H+ 0.5520222E-07 0.2450953E-03 0.2462782E+00 -0.0000 2 H2O 0.1000000E+01 0.5550781E+02 0.9969007E+06 0.0000 3 Cl- 0.4229154E-01 0.4289023E-01 0.1515890E+04 5.8793 4 SO4-- 0.2139245E-05 0.1564713E-05 0.1498444E+00 8.6286 5 HCO3- 0.2776517E-02 0.3224776E-02 0.1961589E+03 4.6983 6 HS- 0.3942788E-03 0.4450323E-03 0.1467264E+02 3.8490 7 H4SiO4 0.2114491E-02 0.2227694E-02 0.2134543E+03 -2.6748 8 Al+++ 0.3492810E-21 0.3884278E-06 0.1044799E-01 -0.3504 9 Ca++ 0.4121135E-04 0.4972280E-04 0.1986634E+01 9.9056 10 Mg++ 0.2730358E-06 0.3255115E-06 0.7889388E-02 7.7215 11 Fe++ 0.5162960E-13 0.2246819E-12 0.1250905E-07 0.9995 12 K+ 0.5177841E-02 0.5184951E-02 0.2021156E+03 4.9694 13 Na+ 0.4071774E-01 0.4137238E-01 0.9482043E+03 5.8628 14 Mn++ 0.7706877E-09 0.3825828E-08 0.2095340E-03 5.1744 15 Zn++ 0.3461429E-13 0.2213458E-08 0.1442468E-03 0.8259 16 Cu+ 0.3491039E-14 0.3111786E-07 0.1971121E-02 -7.2041 17 Pb++ 0.3019262E-14 0.3567903E-09 0.7369502E-04 -0.2261 18 Hg++ 0.1570242E-37 0.4857589E-11 0.9713736E-06 -23.5117 19 F- 0.3365971E-03 0.3405229E-03 0.6449269E+01 3.7772 Component Tot moles Aq. moles Solid moles Gas moles 1 H+ 0.1822172E+00 0.1755497E-03 -.7953326E-05 0.1820496E+00 2 H2O 0.5550825E+02 0.3975752E+02 -.1251556E-01 0.1576325E+02 3 Cl- 0.3072017E-01 0.3072017E-01 0.0000000E+00 0.4026993E-10 4 SO4-- -.4257700E-02 0.1120727E-05 0.1002148E-08 -.4258822E-02 5 HCO3- 0.1832100E+00 0.2309749E-02 0.0000000E+00 0.1809003E+00 6 HS- 0.9985820E-02 0.3187548E-03 0.5562563E-07 0.9667009E-02 7 H4SiO4 0.7855346E-02 0.1595588E-02 0.6259758E-02 0.0000000E+00 8 Al+++ 0.2253680E-05 0.2782117E-06 0.1975468E-05 0.0000000E+00 9 Ca++ 0.3561400E-04 0.3561400E-04 0.0000000E+00 0.0000000E+00 10 Mg++ 0.2355503E-06 0.2331479E-06 0.2402382E-08 0.0000000E+00 11 Fe++ 0.8017372E-08 0.1609286E-12 0.8017211E-08 0.0000000E+00 12 K+ 0.3715700E-02 0.3713725E-02 0.1974507E-05 0.0000000E+00 13 Na+ 0.2963300E-01 0.2963300E-01 0.0000000E+00 0.0000000E+00 14 Mn++ 0.2740424E-08 0.2740252E-08 0.1713951E-12 0.0000000E+00 15 Zn++ 0.1530000E-07 0.1585391E-08 0.1371461E-07 0.0000000E+00 16 Cu+ 0.6237410E-07 0.2228819E-07 0.4008591E-07 0.0000000E+00 17 Pb++ 0.1110000E-07 0.2555514E-09 0.1084445E-07 0.0000000E+00 18 Hg++ 0.4000000E-08 0.3479252E-11 0.0000000E+00 0.3996521E-08 19 F- 0.2439100E-03 0.2438998E-03 0.0000000E+00 0.1016916E-07 Chg. balance for solid moles: -.8979E-17 Mass of aqueous solution: 0.718470E+03 g Temperature = 148.00 C Pressure = 4.48 bar Mixer frac. = 0.0000000 Log Log Vol Gas or mineral Moles Moles Grams Grams Wt.% (cm3) H2O,gas 15.93 1.202 287.0 2.458 97.27 0.1196E+06 CO2,gas 0.1777 -0.750 7.819 0.893 2.650 1415. CH4,gas 0.3232E-02 -2.491 0.5184E-01 -1.285 0.1757E-01 26.21 H2,gas 0.4107E-02 -2.386 0.8296E-02 -2.081 0.2812E-02 32.20 H2S,gas 0.5408E-02 -2.267 0.1843 -0.734 0.6247E-01 41.78 CO,gas 0.5798E-07 -7.237 0.1624E-05 -5.789 0.5505E-06 0.4536E-03 SO2,gas 0.1540E-14 -14.813 0.9864E-13 -13.006 0.3343E-13 0.1205E-10 HF,gas 0.1017E-07 -7.993 0.2034E-06 -6.692 0.6894E-07 0.7956E-04 HCl,gas 0.4027E-10 -10.395 0.1468E-08 -8.833 0.4977E-09 0.3150E-06 Hg,gas 0.3997E-08 -8.398 0.8017E-06 -6.096 0.2717E-06 0.3127E-04 clinochlore 0.4805E-09 -9.318 0.2671E-06 -6.573 0.7097E-04 0.1016E-06 daphnite 0.5954E-14 -14.225 0.4248E-11 -11.372 0.1129E-08 0.1287E-11 chlorite-Mn 0.3428E-13 -13.465 0.2430E-10 -10.614 0.6459E-08 0.7745E-11 microcline 0.1975E-05 -5.705 0.5496E-03 -3.260 0.1461 0.2147E-03 quartz 0.6254E-02 -2.204 0.3757 -0.425 99.85 0.1419 bornite 0.8017E-08 -8.096 0.4023E-05 -5.395 0.1069E-02 0.7915E-06 galena 0.1084E-07 -7.965 0.2595E-05 -5.586 0.6895E-03 0.3415E-06 sphalerite 0.1371E-07 -7.863 0.1336E-05 -5.874 0.3551E-03 0.3268E-06 Partial press. Fugacity coef Log fugacity Gas or Mineral Mole fraction or activity Activity coef Log activity H2O,gas 0.9882E+00 0.4423E+01 0.9608 0.628 CO2,gas 0.1102E-01 0.4932E-01 1.0155 -1.300 CH4,gas 0.2005E-03 0.8972E-03 1.0359 -3.032 H2,gas 0.2547E-03 0.1140E-02 1.0021 -2.942 H2S,gas 0.3354E-03 0.1501E-02 0.9876 -2.829 CO,gas 0.3596E-08 0.1609E-07 1.0000 -7.793 SO2,gas 0.9550E-16 0.4274E-15 1.0000 -15.369 HF,gas 0.6307E-09 0.2823E-08 1.0000 -8.549 HCl,gas 0.2498E-11 0.1118E-10 1.0000 -10.952 Hg,gas 0.2479E-09 0.1109E-08 1.0000 -8.955 clinochlore 0.9999E+00 0.9999E+00 1.0000 -0.000 daphnite 0.1239E-04 0.1239E-04 1.0000 -4.907 chlorite-Mn 0.7134E-04 0.7134E-04 1.0000 -4.147 microcline 0.1000E+01 0.1000E+01 1.0000 0.000 quartz 0.1000E+01 0.1000E+01 1.0000 0.000 bornite 0.1000E+01 0.1000E+01 1.0000 0.000 galena 0.1000E+01 0.1000E+01 1.0000 0.000 sphalerite 0.1000E+01 0.1000E+01 1.0000 0.000 Current weight percent of gas: 29.099018 % Solid products produced: Mass = 0.376288 g Volume = 0.142108 cm3 WARNING: mineral volume may be in error because some mineral densities were not supplied in SOLTHERM. See mineral list in file Skip_Species.txt. NON-Ideal mixing with H2O, CO2, CH4 Gases ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ The following gases and minerals are presently in matrix or were just added Gas or Mineral Log K Log Q Log(Q/K) Log(Q/K)/S Affinity Log Fugacity 1 H2O,gas 0.02 0.02 0.00 0.000 -0.80232E-13 2 CO2,gas -8.10 -8.10 0.00 0.000 0.00000E+00 3 CH4,gas 3.60 3.60 0.00 0.000 -0.85581E-12 4 H2,gas 6.08 6.08 -0.00 -0.000 0.17116E-11 5 H2S,gas -7.42 -7.42 0.00 0.000 -0.34232E-11 6 CO,gas 0.89 0.89 0.00 0.000 -0.14977E-11 7 SO2,gas -2.35 -2.35 -0.00 -0.000 0.42791E-11 8 HF,gas -1.77 -1.77 0.00 0.000 0.00000E+00 9 HCl,gas 2.74 2.74 0.00 0.000 0.00000E+00 10 Hg,gas -11.41 -11.41 0.00 0.000 -0.10270E-10 43 clinochlore 29.88 29.88 -0.00 -0.000 0.61618E-10 44 daphnite 20.81 20.81 0.00 0.000 -0.13693E-10 45 chlorite-Mn 37.88 37.88 -0.00 -0.000 0.13693E-10 115 microcline -3.41 -3.41 -0.00 -0.000 0.11981E-10 146 quartz -2.67 -2.67 0.00 0.000 0.00000E+00 198 bornite -79.86 -79.86 0.00 0.000 0.00000E+00 249 galena -11.12 -11.12 -0.00 -0.000 0.68465E-11 260 sphalerite -10.07 -10.07 -0.00 -0.000 0.34232E-11 The following gases and minerals are presently EXCLUDED from matrix (Gases and minerals with log(Q/K) less than -5 are not listed below) Gas or Mineral Log K Log Q Log(Q/K) Log(Q/K)/S Affinity Log Fugacity 15 albite-high -0.85 -2.51 -1.67 -0.128 0.32099E+04 16 albite -1.70 -2.51 -0.81 -0.062 0.15639E+04 20 analcite 1.68 0.16 -1.52 -0.169 0.29241E+04 21 andalusite 1.25 -3.38 -4.62 -0.462 0.89096E+04 23 grossular 25.51 20.99 -4.52 -0.226 0.87048E+04 24 anhydrite -6.21 -10.96 -4.75 -2.374 0.91517E+04 27 phlogopite 21.46 19.76 -1.70 -0.095 0.32846E+04 29 anorthite 7.71 3.86 -3.86 -0.297 0.74350E+04 32 aragonite 0.30 -0.14 -0.44 -0.148 0.85442E+03 33 brucite 10.86 7.72 -3.13 -0.627 0.60399E+04 34 calcite 0.14 -0.14 -0.29 -0.096 0.55357E+03 35 carnegieite-low 6.72 2.84 -3.88 -0.554 0.74783E+04 36 carnegieite-high 7.57 2.84 -4.73 -0.676 0.91239E+04 37 carpholite-Mg 4.46 1.67 -2.79 -0.186 0.53794E+04 39 celadonite 3.40 1.64 -1.76 -0.104 0.33933E+04 41 chrysotile 20.12 17.81 -2.30 -0.192 0.44397E+04 46 chlorite-Al-free 39.74 35.63 -4.11 -0.171 0.79257E+04 47 chloritoid-Mg 8.32 4.35 -3.97 -0.265 0.76542E+04 51 coesite -2.12 -2.67 -0.55 -0.185 0.10682E+04 56 corundum 4.27 -0.70 -4.97 -0.452 0.95851E+04 58 cristobalite -2.34 -2.67 -0.34 -0.113 0.65326E+03 61 cymrite-K 0.36 -3.41 -3.77 -0.314 0.72625E+04 63 diaspore 1.17 -0.35 -1.52 -0.253 0.29216E+04 64 diamond -2.54 -5.06 -2.53 -0.723 0.48747E+04 65 diopside 13.62 12.28 -1.34 -0.134 0.25841E+04 67 dolomite,ordered -0.93 -2.47 -1.54 -0.257 0.29672E+04 69 enstatite 14.20 10.09 -4.10 -0.410 0.79086E+04 71 clinoenstatite 14.11 10.09 -4.02 -0.402 0.77440E+04 72 protoenstatite 14.66 10.09 -4.57 -0.457 0.88092E+04 74 clinozoisite 15.19 10.74 -4.46 -0.203 0.85863E+04 78 forsterite 17.53 12.77 -4.76 -0.680 0.91669E+04 81 gibbsite 2.41 -0.35 -2.76 -0.394 0.53116E+04 82 glaucophane 16.77 12.79 -3.98 -0.108 0.76762E+04 85 graphite -2.95 -5.06 -2.11 -0.603 0.40691E+04 88 halite 1.45 -3.00 -4.45 -2.226 0.85800E+04 90 heulandite -8.28 -9.52 -1.24 -0.056 0.23954E+04 94 jadeite 2.60 0.16 -2.44 -0.244 0.46971E+04 96 kalsilite 5.54 1.94 -3.60 -0.514 0.69284E+04 97 kaolinite -3.81 -6.05 -2.24 -0.204 0.43185E+04 98 kyanite 1.20 -3.38 -4.57 -0.457 0.88121E+04 100 laumontite -0.25 -1.49 -1.24 -0.083 0.23950E+04 101 lawsonite 5.79 3.86 -1.93 -0.129 0.37257E+04 102 leucite 2.32 -0.73 -3.06 -0.306 0.58879E+04 104 lizardite 19.62 17.81 -1.80 -0.150 0.34730E+04 105 magnesite -0.24 -2.33 -2.09 -0.696 0.40214E+04 108 minnesotaite-Mg 16.91 12.47 -4.44 -0.261 0.85622E+04 119 muscovite -1.75 -4.11 -2.36 -0.139 0.45409E+04 120 paragonite -0.39 -3.21 -2.82 -0.166 0.54423E+04 121 nepheline 6.09 2.84 -3.26 -0.465 0.62772E+04 133 phlogopite-Na 23.60 20.65 -2.95 -0.164 0.56767E+04 135 prehnite 13.84 11.09 -2.76 -0.162 0.53133E+04 141 pyrite -20.16 -23.29 -3.13 -0.737 0.60355E+04 143 pyrrhotiteFe0.875 -6.21 -10.33 -4.12 -1.514 0.79348E+04 144 pyroxmangite 6.21 2.50 -3.71 -0.743 0.71590E+04 145 pyrophyllite -8.38 -11.40 -3.02 -0.189 0.58140E+04 151 rhodochrosite -1.50 -4.87 -3.37 -1.124 0.64968E+04 152 rhodonite 6.25 2.50 -3.75 -0.750 0.72255E+04 153 sanidine -2.33 -3.41 -1.07 -0.083 0.20678E+04 156 sillimanite 1.46 -3.38 -4.84 -0.484 0.93251E+04 163 stilbite -8.87 -9.52 -0.65 -0.031 0.12446E+04 165 stilpnomelane-Mg 19.66 18.99 -0.67 -0.020 0.12859E+04 169 sulfur -8.79 -13.39 -4.60 -1.416 0.88684E+04 171 talc 13.30 12.47 -0.83 -0.049 0.16052E+04 178 topaz-H 1.35 -3.38 -4.73 -0.430 0.91064E+04 179 tridymite -2.38 -2.67 -0.29 -0.098 0.56744E+03 180 tremolite 39.61 37.02 -2.59 -0.070 0.49992E+04 188 wairakite 0.26 -1.49 -1.75 -0.103 0.33732E+04 189 walstromite 9.99 7.23 -2.76 -0.551 0.53099E+04 190 wollastonite 9.06 7.23 -1.83 -0.366 0.35301E+04 191 pseudo-wollastonite 9.51 7.23 -2.28 -0.456 0.43921E+04 192 zoisite 15.24 10.74 -4.50 -0.205 0.86732E+04 193 beidellite-Ca -4.94 -9.00 -4.06 -0.251 0.78191E+04 195 beidellite-K -4.62 -8.99 -4.37 -0.268 0.84213E+04 196 beidellite-Mg -5.12 -9.36 -4.24 -0.262 0.81618E+04 197 beidellite-Na -4.50 -8.70 -4.19 -0.257 0.80823E+04 200 chalcedony -2.51 -2.67 -0.17 -0.055 0.31937E+03 201 chalcocite -24.70 -25.31 -0.61 -0.152 0.11686E+04 202 covellite -17.91 -19.35 -1.44 -0.547 0.27694E+04 203 dawsonite 0.45 -4.54 -4.99 -0.624 0.96181E+04 204 montmorillonite-Ca -4.66 -7.10 -2.44 -0.151 0.46990E+04 205 montmorillonite-K -4.43 -7.10 -2.67 -0.163 0.51371E+04 206 montmorillonite-Mg -4.88 -7.46 -2.58 -0.159 0.49677E+04 207 montmorillonite-Na -4.27 -6.80 -2.53 -0.155 0.48714E+04 229 tobermorite 9.14 5.58 -3.56 -0.971 0.68594E+04 235 alabandite -1.64 -5.72 -4.08 -1.360 0.78653E+04 240 boehmite 2.43 -0.35 -2.78 -0.463 0.53514E+04 242 chalcopyrite -26.53 -29.25 -2.71 -0.505 0.52263E+04 245 copper,native -2.25 -5.96 -3.71 -1.290 0.71494E+04 246 dolomite,disordered -0.38 -2.47 -2.09 -0.349 0.40337E+04 248 fluorite -10.25 -12.03 -1.78 -0.595 0.34391E+04 257 silica-amorphous -1.93 -2.67 -0.74 -0.248 0.14325E+04 261 wurtzite -8.45 -10.07 -1.62 -0.541 0.31292E+04 263 an20ab80 -0.04 -1.24 -1.20 -0.093 0.23188E+04 264 an25ab75 0.41 -0.92 -1.33 -0.102 0.25606E+04 265 an30ab70 0.86 -0.60 -1.46 -0.112 0.28137E+04 Calculations done for 148.0000 Deg. C; 4.4757 bar Enthalpies: Pure water 2.6945 kcal/mole H2O,gas 11.8702 kcal/mole CO2,gas 1.4911 kcal/mole CH4,gas 1.4446 kcal/mole Current solution 107.1265 Gas 189.4041 kcal Total current enthalpy 296.5306 kcal Starting enthalpy 296.5306 kcal Temperature changed by -2.000 degrees to 146.000 degrees C. Solids and gases carried ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ Test file for CHIM-XPT. Boil Broadlands Water Water similar to Broadlands Well No. 2 CHIMRUN demo-2a ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ Number of loops used = 200 Loop limit = 200 Temperature = 146.00 C Pressure = 4.24 bar Mixer fraction = 0.0000000 Total current enthalpy = 296.5306 KCAL Water: Moles liquid = 0.3958E+02 kg liquid = 0.7130E+00 Moles total = 0.5551E+02 kg total = 0.1000E+01 Activity = 1.0000 Stoichiometric ionic strength = .4703370E-01 Osmotic coef. = 0.9279 True ionic strength = .4626293E-01 Chg. balance for total moles = 0.2402E-07 Max. difference allowed = 0.3072E-05 Log Log Log Species(n) Molality Molality Activity Activity Gamma Gamma 1 H+ 0.53236E-07 -7.2738 0.40887E-07 -7.3884 0.76769E+00 -0.1148 2 H2O 0.99999E+00 -0.0000 0.99999E+00 -0.0000 3 Cl- 0.42487E-01 -1.3717 0.32252E-01 -1.4914 0.75889E+00 -0.1198 4 SO4-- 0.22829E-05 -5.6415 0.81610E-06 -6.0883 0.35766E+00 -0.4465 5 HCO3- 0.27967E-02 -2.5534 0.21299E-02 -2.6716 0.76200E+00 -0.1180 6 HS- 0.38975E-03 -3.4092 0.29592E-03 -3.5288 0.75921E+00 -0.1196 7 H4SiO4 0.20572E-02 -2.6867 0.20575E-02 -2.6867 0.10000E+01 0.0000 8 Al+++ 0.34982E-21 -21.4562 0.34299E-22 -22.4647 0.97852E-01 -1.0094 9 Ca++ 0.41578E-04 -4.3811 0.14611E-04 -4.8353 0.35139E+00 -0.4542 10 Mg++ 0.41677E-06 -6.3801 0.14463E-06 -6.8397 0.34717E+00 -0.4595 11 Fe++ 0.37597E-07 -7.4248 0.13097E-07 -7.8828 0.34819E+00 -0.4582 12 K+ 0.52049E-02 -2.2836 0.39687E-02 -2.4014 0.76268E+00 -0.1177 13 Na+ 0.40915E-01 -1.3881 0.31046E-01 -1.5080 0.75879E+00 -0.1199 14 Mn++ 0.33042E-07 -7.4809 0.11553E-07 -7.9373 0.34896E+00 -0.4572 15 Zn++ 0.32994E-13 -13.4816 0.11494E-13 -13.9395 0.34819E+00 -0.4582 16 Cu+ 0.19953E-15 -15.7000 0.15141E-15 -15.8198 0.75868E+00 -0.1199 17 Pb++ 0.27091E-14 -14.5672 0.95974E-15 -15.0178 0.35408E+00 -0.4509 18 Hg++ 0.13007E-37 -37.8858 0.45930E-38 -38.3379 0.35280E+00 -0.4525 19 F- 0.33823E-03 -3.4708 0.25494E-03 -3.5936 0.75376E+00 -0.1228 21 HSiO3- 0.89377E-04 -4.0488 0.67810E-04 -4.1687 0.75889E+00 -0.1198 22 Ca(HSiO3)+ 0.68784E-07 -7.1625 0.52480E-07 -7.2800 0.76310E+00 -0.1174 23 Mg(HSiO3)+ 0.70310E-09 -9.1530 0.53618E-09 -9.2707 0.76310E+00 -0.1174 24 NaHSiO3,aq 0.24006E-04 -4.6197 0.24000E-04 -4.6198 0.10000E+01 0.0000 27 HAlO2,aq 0.16258E-08 -8.7889 0.16268E-08 -8.7887 0.10000E+01 0.0000 28 AlO2- 0.35992E-06 -6.4438 0.27161E-06 -6.5660 0.75450E+00 -0.1223 29 CH4,aq 0.75482E-06 -6.1222 0.74400E-06 -6.1284 0.98567E+00 -0.0063 34 CO,aq 0.12860E-10 -10.8908 0.12859E-10 -10.8908 0.10000E+01 0.0000 35 CO2,aq 0.37702E-03 -3.4236 0.37159E-03 -3.4299 0.98567E+00 -0.0063 36 CO3-2 0.95834E-05 -5.0185 0.34060E-05 -5.4678 0.35575E+00 -0.4489 37 CaCO3,aq 0.22610E-05 -5.6457 0.22590E-05 -5.6461 0.10000E+01 0.0000 38 Ca(HCO3)+ 0.26296E-05 -5.5801 0.20058E-05 -5.6977 0.76310E+00 -0.1174 39 CaCl+ 0.27061E-05 -5.5677 0.20658E-05 -5.6849 0.76310E+00 -0.1174 40 CaCl2,aq 0.17745E-07 -7.7509 0.17756E-07 -7.7506 0.10000E+01 0.0000 41 CaF+ 0.19806E-06 -6.7032 0.15116E-06 -6.8206 0.76310E+00 -0.1174 42 CaOH+ 0.47883E-06 -6.3198 0.36527E-06 -6.4374 0.76310E+00 -0.1174 43 CaSO4,aq 0.89270E-08 -8.0493 0.89236E-08 -8.0495 0.10000E+01 0.0000 44 HCl,aq 0.37830E-09 -9.4222 0.37857E-09 -9.4219 0.10000E+01 0.0000 61 HF,aq 0.20690E-06 -6.6842 0.20699E-06 -6.6841 0.10000E+01 0.0000 62 HF2- 0.24279E-10 -10.6148 0.18433E-10 -10.7344 0.75889E+00 -0.1198 64 FeCl+ 0.20536E-08 -8.6875 0.15683E-08 -8.8046 0.76310E+00 -0.1174 67 FeF+ 0.46674E-09 -9.3309 0.35634E-09 -9.4481 0.76310E+00 -0.1174 69 FeO,aq 0.15591E-07 -7.8071 0.15585E-07 -7.8073 0.10000E+01 0.0000 70 FeOH+ 0.84706E-07 -7.0721 0.64642E-07 -7.1895 0.76310E+00 -0.1174 71 HFeO2- 0.10469E-07 -7.9801 0.79376E-08 -8.1003 0.75889E+00 -0.1198 74 FeO2- 0.39289E-08 -8.4057 0.29790E-08 -8.5259 0.75889E+00 -0.1198 75 HFeO2,aq 0.32996E-08 -8.4815 0.32983E-08 -8.4817 0.10000E+01 0.0000 76 H2,aq 0.10894E-05 -5.9628 0.10738E-05 -5.9691 0.98567E+00 -0.0063 90 KCl,aq 0.65312E-05 -5.1850 0.65314E-05 -5.1850 0.10000E+01 0.0000 92 KOH,aq 0.24073E-06 -6.6185 0.24056E-06 -6.6188 0.10000E+01 0.0000 93 KSO4- 0.13268E-06 -6.8772 0.10061E-06 -6.9973 0.75889E+00 -0.1198 94 MgCO3,aq 0.42104E-08 -8.3757 0.42045E-08 -8.3763 0.10000E+01 0.0000 95 Mg(HCO3)+ 0.26348E-07 -7.5793 0.20087E-07 -7.6971 0.76310E+00 -0.1174 96 MgCl+ 0.19527E-07 -7.7094 0.14899E-07 -7.8268 0.76310E+00 -0.1174 97 MgF+ 0.65368E-08 -8.1846 0.49862E-08 -8.3022 0.76310E+00 -0.1174 98 MgOH+ 0.19781E-07 -7.7038 0.15082E-07 -7.8215 0.76310E+00 -0.1174 100 MnF+ 0.15025E-09 -9.8232 0.11488E-09 -9.9398 0.76310E+00 -0.1174 101 MnO,aq 0.40693E-09 -9.3905 0.40735E-09 -9.3900 0.10000E+01 0.0000 102 MnOH+ 0.85590E-08 -8.0676 0.65411E-08 -8.1843 0.76310E+00 -0.1174 107 MnCl+ 0.12694E-07 -7.8964 0.97084E-08 -8.0129 0.76310E+00 -0.1174 109 NaCl,aq 0.58090E-03 -3.2359 0.58106E-03 -3.2358 0.10000E+01 0.0000 110 NaF,aq 0.34405E-05 -5.4634 0.34404E-05 -5.4634 0.10000E+01 0.0000 111 NaOH,aq 0.15487E-05 -5.8100 0.15480E-05 -5.8102 0.10000E+01 0.0000 113 OH- 0.69471E-04 -4.1582 0.52392E-04 -4.2807 0.75450E+00 -0.1223 124 Pb(HS)2,aq 0.25921E-09 -9.5864 0.25937E-09 -9.5861 0.10000E+01 0.0000 126 H2S,aq 0.42803E-04 -4.3685 0.42211E-04 -4.3746 0.98567E+00 -0.0063 127 S2-2 0.61067E-10 -10.2142 0.21727E-10 -10.6630 0.35575E+00 -0.4489 135 HSO4- 0.20159E-09 -9.6955 0.15419E-09 -9.8120 0.76486E+00 -0.1164 154 ZnOH+ 0.30372E-10 -10.5175 0.23179E-10 -10.6349 0.76310E+00 -0.1174 164 Cu(HS)2- 0.18986E-08 -8.7216 0.14414E-08 -8.8412 0.75889E+00 -0.1198 166 CuH4S3-b 0.52694E-10 -10.2782 0.40024E-10 -10.3977 0.75889E+00 -0.1198 173 FeSO4,aq 0.21458E-10 -10.6684 0.21458E-10 -10.6684 0.10000E+01 0.0000 179 MgSO4,aq 0.34450E-09 -9.4628 0.34419E-09 -9.4632 0.10000E+01 0.0000 180 MnCl2,aq 0.12897E-08 -8.8895 0.12929E-08 -8.8884 0.10000E+01 0.0000 181 MnCl3- 0.15564E-09 -9.8079 0.11844E-09 -9.9265 0.75889E+00 -0.1198 182 MnCO3,aq 0.11145E-06 -6.9529 0.11156E-06 -6.9525 0.10000E+01 0.0000 183 NaCO3- 0.30611E-05 -5.5141 0.23207E-05 -5.6344 0.75889E+00 -0.1198 184 NaHCO3,aq 0.29233E-04 -4.5341 0.29217E-04 -4.5344 0.10000E+01 0.0000 185 NaHS,aq 0.40591E-05 -5.3916 0.40593E-05 -5.3915 0.10000E+01 0.0000 186 NaSO4- 0.42488E-06 -6.3717 0.32228E-06 -6.4918 0.75889E+00 -0.1198 187 PbCO3,aq 0.59688E-10 -10.2241 0.59660E-10 -10.2243 0.10000E+01 0.0000 193 Zn(HS)2,aq 0.19533E-08 -8.7092 0.19546E-08 -8.7089 0.10000E+01 0.0000 194 Zn(HS)3- 0.59583E-10 -10.2249 0.45249E-10 -10.3444 0.75889E+00 -0.1198 Charge balance for all species = 0.1203E-04 Component Molality Aq.molality ppm log[A(N)/A(H+)**Z] (total) 1 H+ 0.5323552E-07 0.2195789E-03 0.2206372E+00 -0.0000 2 H2O 0.1000000E+01 0.5550783E+02 0.9968944E+06 0.0000 3 Cl- 0.4248717E-01 0.4308628E-01 0.1522809E+04 5.8970 4 SO4-- 0.2282870E-05 0.1823740E-05 0.1746490E+00 8.6886 5 HCO3- 0.2796654E-02 0.3220684E-02 0.1959087E+03 4.7168 6 HS- 0.3897502E-03 0.4378226E-03 0.1443484E+02 3.8596 7 H4SiO4 0.2057157E-02 0.2170396E-02 0.2079626E+03 -2.6867 8 Al+++ 0.3498155E-21 0.1655060E-06 0.4451775E-02 -0.2995 9 Ca++ 0.4157758E-04 0.4995008E-04 0.1995702E+01 9.9415 10 Mg++ 0.4167750E-06 0.3303688E-06 0.8007061E-02 7.9371 11 Fe++ 0.3759702E-07 -.5861254E-08 -.3263201E-03 6.8940 12 K+ 0.5204908E-02 0.5208425E-02 0.2030293E+03 4.9871 13 Na+ 0.4091506E-01 0.4156148E-01 0.9525321E+03 5.8804 14 Mn++ 0.3304235E-07 0.3843555E-08 0.2105035E-03 6.8395 15 Zn++ 0.3299380E-13 0.2046484E-08 0.1333645E-03 0.8373 16 Cu+ 0.1995287E-15 0.1952488E-08 0.1236770E-03 -8.4314 17 Pb++ 0.2709094E-14 0.3224518E-09 0.6660195E-04 -0.2410 18 Hg++ 0.1300737E-37 0.4725469E-11 0.9449473E-06 -23.5611 19 F- 0.3382277E-03 0.3420804E-03 0.6478723E+01 3.7949 Component Tot moles Aq. moles Solid moles Gas moles 1 H+ 0.1822172E+00 0.1565580E-03 -.8605378E-05 0.1820692E+00 2 H2O 0.5550825E+02 0.3957663E+02 -.1261156E-01 0.1594423E+02 3 Cl- 0.3072017E-01 0.3072017E-01 0.0000000E+00 0.3684380E-10 4 SO4-- -.4257700E-02 0.1300312E-05 0.1524566E-08 -.4259001E-02 5 HCO3- 0.1832100E+00 0.2296321E-02 0.0000000E+00 0.1809135E+00 6 HS- 0.9985820E-02 0.3121639E-03 0.7197173E-07 0.9673667E-02 7 H4SiO4 0.7855346E-02 0.1547475E-02 0.6307912E-02 0.0000000E+00 8 Al+++ 0.2253680E-05 0.1180044E-06 0.2136401E-05 0.0000000E+00 9 Ca++ 0.3561400E-04 0.3561400E-04 0.0000000E+00 0.0000000E+00 10 Mg++ 0.2355503E-06 0.2355503E-06 0.5000000E-19 0.0000000E+00 11 Fe++ 0.8017372E-08 -.4179026E-08 0.1219653E-07 0.0000000E+00 12 K+ 0.3715700E-02 0.3713564E-02 0.2136401E-05 0.0000000E+00 13 Na+ 0.2963300E-01 0.2963300E-01 0.0000000E+00 0.0000000E+00 14 Mn++ 0.2740424E-08 0.2740424E-08 0.5000000E-19 0.0000000E+00 15 Zn++ 0.1530000E-07 0.1459127E-08 0.1384011E-07 0.0000000E+00 16 Cu+ 0.6237410E-07 0.1392108E-08 0.6098265E-07 0.0000000E+00 17 Pb++ 0.1110000E-07 0.2299055E-09 0.1087007E-07 0.0000000E+00 18 Hg++ 0.4000000E-08 0.3369221E-11 0.0000000E+00 0.3996632E-08 19 F- 0.2439100E-03 0.2439005E-03 0.0000000E+00 0.9488413E-08 Chg. balance for solid moles: -.7840E-17 Mass of aqueous solution: 0.715206E+03 g Temperature = 146.00 C Pressure = 4.24 bar Mixer frac. = 0.0000000 Log Log Vol Gas or mineral Moles Moles Grams Grams Wt.% (cm3) H2O,gas 16.11 1.207 290.2 2.463 97.30 0.1273E+06 CO2,gas 0.1777 -0.750 7.819 0.893 2.621 1486. CH4,gas 0.3250E-02 -2.488 0.5213E-01 -1.283 0.1748E-01 27.67 H2,gas 0.4035E-02 -2.394 0.8151E-02 -2.089 0.2733E-02 33.25 H2S,gas 0.5415E-02 -2.266 0.1845 -0.734 0.6186E-01 43.99 CO,gas 0.5322E-07 -7.274 0.1491E-05 -5.827 0.4998E-06 0.4376E-03 SO2,gas 0.1340E-14 -14.873 0.8583E-13 -13.066 0.2877E-13 0.1102E-10 HF,gas 0.9484E-08 -8.023 0.1897E-06 -6.722 0.6359E-07 0.7799E-04 HCl,gas 0.3681E-10 -10.434 0.1342E-08 -8.872 0.4500E-09 0.3027E-06 Hg,gas 0.3997E-08 -8.398 0.8017E-06 -6.096 0.2688E-06 0.3286E-04 clinochlore 0.1000E-19 -20.000 0.5558E-17 -17.255 0.1466E-14 0.2114E-17 daphnite 0.1000E-19 -20.000 0.7135E-17 -17.147 0.1882E-14 0.2162E-17 chlorite-Mn 0.1000E-19 -20.000 0.7090E-17 -17.149 0.1870E-14 0.2259E-17 microcline 0.2136E-05 -5.670 0.5946E-03 -3.226 0.1568 0.2323E-03 quartz 0.6302E-02 -2.201 0.3786 -0.422 99.84 0.1430 bornite 0.1220E-07 -7.914 0.6120E-05 -5.213 0.1614E-02 0.1204E-05 galena 0.1087E-07 -7.964 0.2601E-05 -5.585 0.6858E-03 0.3423E-06 sphalerite 0.1384E-07 -7.859 0.1348E-05 -5.870 0.3556E-03 0.3298E-06 Partial press. Fugacity coef Log fugacity Gas or Mineral Mole fraction or activity Activity coef Log activity H2O,gas 0.9883E+00 0.4189E+01 0.9621 0.605 CO2,gas 0.1090E-01 0.4618E-01 1.0151 -1.329 CH4,gas 0.1993E-03 0.8449E-03 1.0345 -3.058 H2,gas 0.2475E-03 0.1049E-02 1.0020 -2.978 H2S,gas 0.3321E-03 0.1407E-02 0.9881 -2.857 CO,gas 0.3264E-08 0.1383E-07 1.0000 -7.859 SO2,gas 0.8217E-16 0.3483E-15 1.0000 -15.458 HF,gas 0.5817E-09 0.2465E-08 1.0000 -8.608 HCl,gas 0.2258E-11 0.9569E-11 1.0000 -11.019 Hg,gas 0.2451E-09 0.1039E-08 1.0000 -8.983 clinochlore 0.3333E+00 0.3333E+00 1.0000 -0.477 daphnite 0.3333E+00 0.3333E+00 1.0000 -0.477 chlorite-Mn 0.3333E+00 0.3333E+00 1.0000 -0.477 microcline 0.1000E+01 0.1000E+01 1.0000 0.000 quartz 0.1000E+01 0.1000E+01 1.0000 0.000 bornite 0.1000E+01 0.1000E+01 1.0000 0.000 galena 0.1000E+01 0.1000E+01 1.0000 0.000 sphalerite 0.1000E+01 0.1000E+01 1.0000 0.000 Current weight percent of gas: 29.420633 % Solid products produced: Mass = 0.379206 g Volume = 0.143210 cm3 WARNING: mineral volume may be in error because some mineral densities were not supplied in SOLTHERM. See mineral list in file Skip_Species.txt. NON-Ideal mixing with H2O, CO2, CH4 Gases CO2,gas does not satisfy anymore the mass action equation We remove it from matrix. affinity =0.3982E-01 CH4,gas does not satisfy anymore the mass action equation We remove it from matrix. affinity =0.3134E-03 H2,gas does not satisfy anymore the mass action equation We remove it from matrix. affinity =-.9875E-02 H2S,gas does not satisfy anymore the mass action equation We remove it from matrix. affinity =0.6728E-01 CO,gas does not satisfy anymore the mass action equation We remove it from matrix. affinity =-.1599E-01 SO2,gas does not satisfy anymore the mass action equation We remove it from matrix. affinity =-.8681E-01 HF,gas does not satisfy anymore the mass action equation We remove it from matrix. affinity =-.3324E+00 HCl,gas does not satisfy anymore the mass action equation We remove it from matrix. affinity =-.6430E+00 Hg,gas does not satisfy anymore the mass action equation We remove it from matrix. affinity =-.5087E-01 clinochlore does not satisfy anymore the mass action equation We remove it from matrix. affinity =-.6128E+04 daphnite does not satisfy anymore the mass action equation We remove it from matrix. affinity =-.1360E+05 chlorite-Mn does not satisfy anymore the mass action equation We remove it from matrix. affinity =0.1972E+05 microcline does not satisfy anymore the mass action equation We remove it from matrix. affinity =-.2822E+00 quartz does not satisfy anymore the mass action equation We remove it from matrix. affinity =-.1231E+00 bornite does not satisfy anymore the mass action equation We remove it from matrix. affinity =0.5930E-01 galena does not satisfy anymore the mass action equation We remove it from matrix. affinity =0.1377E-01 sphalerite does not satisfy anymore the mass action equation We remove it from matrix. affinity =0.1377E-01 ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ The following gases and minerals are presently in matrix or were just added Gas or Mineral Log K Log Q Log(Q/K) Log(Q/K)/S Affinity Log Fugacity 1 H2O,gas 0.02 0.02 -0.00 -0.000 0.37626E-06 The following gases and minerals are presently EXCLUDED from matrix (Gases and minerals with log(Q/K) less than -5 are not listed below) Gas or Mineral Log K Log Q Log(Q/K) Log(Q/K)/S Affinity Log Fugacity 2 CO2,gas -8.10 -8.10 -0.00 -0.000 0.39816E-01 0.627 3 CH4,gas 3.57 3.57 -0.00 -0.000 0.31335E-03 0.627 4 H2,gas 6.09 6.09 0.00 0.000 -0.98755E-02 0.627 5 H2S,gas -7.43 -7.43 -0.00 -0.000 0.67284E-01 0.627 6 CO,gas 0.91 0.91 0.00 0.000 -0.15987E-01 0.627 7 SO2,gas -2.29 -2.29 0.00 0.000 -0.86814E-01 0.627 8 HF,gas -1.75 -1.75 0.00 0.000 -0.33235E+00 0.627 9 HCl,gas 2.77 2.77 0.00 0.000 -0.64303E+00 0.628 10 Hg,gas -11.46 -11.46 0.00 0.000 -0.50869E-01 0.627 11 acmite 6.65 6.16 -0.49 -0.051 0.93707E+03 15 albite-high -0.79 -2.48 -1.69 -0.130 0.32373E+04 16 albite -1.65 -2.48 -0.83 -0.064 0.15834E+04 20 analcite 1.74 0.21 -1.53 -0.170 0.29369E+04 21 andalusite 1.39 -3.29 -4.67 -0.467 0.89612E+04 22 andradite 33.18 33.07 -0.11 -0.006 0.21451E+03 23 grossular 25.78 21.17 -4.61 -0.230 0.88408E+04 24 anhydrite -6.17 -10.92 -4.75 -2.376 0.91125E+04 25 ankerite -3.29 -3.28 0.01 0.002 -0.17853E+02 26 annite 15.40 17.31 1.91 0.106 -0.36665E+04 27 phlogopite 21.67 20.44 -1.23 -0.068 0.23564E+04 29 anorthite 7.90 3.97 -3.93 -0.302 0.75342E+04 31 anthophyllite-Fe 22.59 26.76 4.17 0.113 -0.80062E+04 32 aragonite 0.33 -0.12 -0.45 -0.149 0.85528E+03 33 brucite 10.92 7.94 -2.98 -0.596 0.57175E+04 34 calcite 0.17 -0.12 -0.29 -0.097 0.55564E+03 35 carnegieite-low 6.80 2.89 -3.91 -0.558 0.74953E+04 36 carnegieite-high 7.66 2.89 -4.77 -0.681 0.91484E+04 37 carpholite-Mg 4.61 1.96 -2.65 -0.177 0.50804E+04 38 carpholite-Fe 2.93 0.92 -2.00 -0.134 0.38428E+04 39 celadonite 3.47 1.88 -1.59 -0.094 0.30572E+04 40 celadonite-Fe 2.09 0.84 -1.25 -0.074 0.24043E+04 41 chrysotile 20.26 18.44 -1.82 -0.151 0.34854E+04 43 clinochlore 30.22 33.41 3.20 0.100 -0.61281E+04 44 daphnite 21.11 28.20 7.09 0.222 -0.13602E+05 46 chlorite-Al-free 40.01 36.88 -3.13 -0.131 0.60124E+04 47 chloritoid-Mg 8.50 4.65 -3.85 -0.256 0.73764E+04 48 chloritoid-Fe 4.95 3.61 -1.34 -0.089 0.25709E+04 49 chloritoid-Mn 7.17 3.55 -3.61 -0.241 0.69292E+04 51 coesite -2.13 -2.69 -0.56 -0.186 0.10674E+04 58 cristobalite -2.34 -2.69 -0.34 -0.114 0.65586E+03 61 cymrite-K 0.41 -3.37 -3.78 -0.315 0.72561E+04 62 deerite 76.26 84.39 8.14 0.120 -0.15604E+05 63 diaspore 1.23 -0.30 -1.53 -0.255 0.29314E+04 64 diamond -2.55 -5.09 -2.53 -0.723 0.48549E+04 65 diopside 13.71 12.51 -1.21 -0.121 0.23145E+04 66 hedenbergite 11.92 11.46 -0.46 -0.046 0.87539E+03 67 dolomite,ordered -0.87 -2.24 -1.37 -0.228 0.26277E+04 69 enstatite 14.31 10.50 -3.81 -0.381 0.73037E+04 70 clinoenstatite-HiP 15.28 10.50 -4.78 -0.478 0.91732E+04 71 clinoenstatite 14.22 10.50 -3.72 -0.372 0.71390E+04 72 protoenstatite 14.78 10.50 -4.28 -0.428 0.82064E+04 73 epidote 18.12 16.87 -1.24 -0.060 0.23830E+04 74 clinozoisite 15.47 10.92 -4.55 -0.207 0.87221E+04 75 epidote-Fe 23.72 22.82 -0.90 -0.047 0.17250E+04 76 fayalite 11.42 11.10 -0.32 -0.046 0.61201E+03 77 ferrosilite 8.84 8.41 -0.42 -0.042 0.80616E+03 78 forsterite 17.65 13.19 -4.47 -0.638 0.85637E+04 81 gibbsite 2.47 -0.30 -2.77 -0.395 0.53067E+04 82 glaucophane 17.00 13.48 -3.52 -0.095 0.67476E+04 83 glaucophane-Fe 11.83 10.35 -1.48 -0.040 0.28429E+04 84 goethite 5.30 5.65 0.35 0.076 -0.67638E+03 85 graphite -2.97 -5.09 -2.11 -0.604 0.40513E+04 86 greenalite 13.28 15.31 2.03 0.169 -0.38906E+04 87 grunerite 24.23 26.76 2.53 0.068 -0.48566E+04 88 halite 1.45 -3.00 -4.45 -2.227 0.85420E+04 89 hematite 10.11 11.30 1.19 0.145 -0.22872E+04 90 heulandite -8.19 -9.46 -1.27 -0.058 0.24445E+04 94 jadeite 2.66 0.21 -2.45 -0.245 0.47016E+04 95 julgoldite 59.73 60.04 0.30 0.008 -0.57813E+03 96 kalsilite 5.61 2.00 -3.61 -0.516 0.69308E+04 97 kaolinite -3.72 -5.97 -2.25 -0.205 0.43215E+04 98 kyanite 1.33 -3.29 -4.62 -0.462 0.88593E+04 100 laumontite -0.14 -1.40 -1.27 -0.084 0.24284E+04 101 lawsonite 5.93 3.97 -1.96 -0.131 0.37597E+04 102 leucite 2.39 -0.69 -3.08 -0.308 0.58992E+04 104 lizardite 19.75 18.44 -1.31 -0.109 0.25125E+04 105 magnesite -0.20 -2.12 -1.92 -0.640 0.36806E+04 106 magnetite 16.25 18.20 1.95 0.159 -0.37321E+04 107 minnesotaite 7.88 9.94 2.06 0.121 -0.39494E+04 108 minnesotaite-Mg 17.04 13.06 -3.98 -0.234 0.76274E+04 109 magnesioferrite 21.70 19.24 -2.46 -0.201 0.47175E+04 115 microcline -3.37 -3.37 0.00 0.000 -0.28223E+00 119 muscovite -1.59 -3.97 -2.38 -0.140 0.45669E+04 120 paragonite -0.22 -3.08 -2.86 -0.168 0.54838E+04 121 nepheline 6.18 2.89 -3.28 -0.469 0.62954E+04 127 periclase-Fe 9.80 6.89 -2.90 -0.726 0.55716E+04 133 phlogopite-Na 23.82 21.33 -2.49 -0.138 0.47677E+04 135 prehnite 14.05 11.22 -2.82 -0.166 0.54130E+04 136 prehnite-Fe 17.75 17.17 -0.58 -0.035 0.11122E+04 137 pumpellyite-Fe 33.50 29.04 -4.46 -0.099 0.85463E+04 141 pyrite -20.19 -17.43 2.76 0.650 -0.52973E+04 142 pyrrhotite -4.69 -4.02 0.66 0.221 -0.12701E+04 143 pyrrhotiteFe0.875 -6.20 -5.19 1.01 0.372 -0.19390E+04 144 pyroxmangite 6.26 4.15 -2.10 -0.421 0.40368E+04 145 pyrophyllite -8.30 -11.35 -3.04 -0.190 0.58369E+04 146 quartz -2.69 -2.69 0.00 0.000 -0.12310E+00 148 riebeckite 16.43 22.25 5.82 0.160 -0.11158E+05 149 ringwoodite-Fe 12.75 11.10 -1.65 -0.235 0.31579E+04 151 rhodochrosite -1.48 -3.22 -1.74 -0.580 0.33359E+04 152 rhodonite 6.29 4.15 -2.14 -0.428 0.41039E+04 153 sanidine -2.29 -3.37 -1.08 -0.083 0.20675E+04 155 siderite -3.15 -3.17 -0.02 -0.005 0.30386E+02 156 sillimanite 1.60 -3.29 -4.89 -0.489 0.93779E+04 163 stilbite -8.83 -9.46 -0.64 -0.030 0.12212E+04 164 stilpnomelane-Fe 7.37 14.87 7.50 0.224 -0.14379E+05 165 stilpnomelane-Mg 19.94 20.09 0.15 0.004 -0.27950E+03 169 sulfur -8.80 -13.40 -4.61 -1.417 0.88357E+04 171 talc 13.41 13.06 -0.35 -0.020 0.66835E+03 172 talc-Fe 10.62 9.94 -0.69 -0.040 0.13141E+04 175 tephroite 15.48 10.99 -4.48 -0.641 0.86012E+04 178 topaz-H 1.47 -3.29 -4.76 -0.432 0.91226E+04 179 tridymite -2.39 -2.69 -0.30 -0.099 0.56935E+03 180 tremolite 39.91 38.08 -1.84 -0.050 0.35261E+04 181 ferroactinolite 31.38 32.86 1.48 0.040 -0.28470E+04 182 troilite-low -4.79 -4.02 0.76 0.255 -0.14668E+04 186 wadsleyite-Fe 12.91 11.10 -1.80 -0.258 0.34596E+04 188 wairakite 0.39 -1.40 -1.79 -0.106 0.34417E+04 189 walstromite 10.04 7.25 -2.79 -0.557 0.53457E+04 190 wollastonite 9.11 7.25 -1.86 -0.372 0.35654E+04 191 pseudo-wollastonite 9.56 7.25 -2.31 -0.462 0.44297E+04 192 zoisite 15.52 10.92 -4.59 -0.209 0.88086E+04 193 beidellite-Ca -4.82 -8.92 -4.10 -0.253 0.78587E+04 195 beidellite-K -4.51 -8.91 -4.40 -0.270 0.84446E+04 196 beidellite-Mg -5.00 -9.25 -4.25 -0.263 0.81457E+04 197 beidellite-Na -4.39 -8.62 -4.23 -0.259 0.81109E+04 198 bornite -80.18 -80.18 -0.00 -0.000 0.59296E-01 200 chalcedony -2.52 -2.69 -0.17 -0.055 0.31915E+03 201 chalcocite -24.81 -27.78 -2.97 -0.741 0.56880E+04 202 covellite -17.98 -20.59 -2.61 -0.994 0.50058E+04 203 dawsonite 0.50 -4.48 -4.98 -0.622 0.95487E+04 204 montmorillonite-Ca -4.58 -6.99 -2.41 -0.149 0.46224E+04 205 montmorillonite-K -4.35 -6.98 -2.63 -0.161 0.50466E+04 206 montmorillonite-Mg -4.80 -7.32 -2.52 -0.156 0.48350E+04 207 montmorillonite-Na -4.19 -6.69 -2.49 -0.153 0.47841E+04 209 nontronite-Ca 1.48 2.98 1.50 0.098 -0.28841E+04 210 nontronite-H 0.92 1.34 0.42 0.028 -0.80037E+03 211 nontronite-K 1.79 2.99 1.20 0.077 -0.23001E+04 212 nontronite-Mg 1.30 2.65 1.35 0.088 -0.25950E+04 213 nontronite-Na 1.91 3.28 1.37 0.088 -0.26313E+04 229 tobermorite 9.16 5.59 -3.57 -0.973 0.68390E+04 235 alabandite -1.61 -4.08 -2.46 -0.821 0.47241E+04 240 boehmite 2.50 -0.30 -2.80 -0.467 0.53687E+04 242 chalcopyrite -26.60 -24.62 1.99 0.370 -0.38159E+04 245 copper,native -2.28 -7.19 -4.91 -1.708 0.94172E+04 246 dolomite,disordered -0.31 -2.24 -1.93 -0.321 0.36997E+04 247 ferrous-oxide 8.16 6.89 -1.27 -0.318 0.24362E+04 248 fluorite -10.23 -12.02 -1.79 -0.597 0.34322E+04 249 galena -11.16 -11.16 -0.00 -0.000 0.13773E-01 257 silica-amorphous -1.94 -2.69 -0.75 -0.250 0.14360E+04 260 sphalerite -10.08 -10.08 -0.00 -0.000 0.13774E-01 261 wurtzite -8.45 -10.08 -1.63 -0.544 0.31294E+04 263 an20ab80 0.04 -1.19 -1.23 -0.094 0.23561E+04 264 an25ab75 0.49 -0.87 -1.36 -0.104 0.26022E+04 265 an30ab70 0.95 -0.54 -1.49 -0.115 0.28594E+04 266 tr.625ac.25prg.125 36.69 37.07 0.38 0.010 -0.73696E+03 271 FeS-amorphous -3.60 -4.02 -0.42 -0.142 0.81441E+03 273 franklinite 16.92 12.14 -4.79 -0.391 0.91783E+04 Number of iterations reached the given limit ( 200) Non-Convergence assumed. Execution aborted. Check "convergence problems" in manual. Cut step size to one tenth of previous value and try again.