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. clinochlore is suppressed in THIS RUN. daphnite is suppressed in THIS RUN. chlorite-Mn is suppressed in THIS RUN. 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 0.55202E-07 0.7669 0.00000000E+00 H2O 2 0. 0.55508E+02 0.10000E+01 1.0000 0.00000000E+00 Cl- 3 -1. 0.30720E-01 0.42292E-01 0.7581 0.00000000E+00 SO4-- 4 -2. -0.42577E-02 0.21392E-05 0.3562 0.00000000E+00 HCO3- 5 -1. 0.18321E+00 0.27765E-02 0.7612 0.00000000E+00 HS- 6 -1. 0.99858E-02 0.39428E-03 0.7584 0.00000000E+00 H4SiO4 7 0. 0.78553E-02 0.21145E-02 1.0000 0.00000000E+00 Al+++ 8 3. 0.22537E-05 0.34928E-21 0.0969 0.00000000E+00 Ca++ 9 2. 0.35614E-04 0.41211E-04 0.3499 0.00000000E+00 Mg++ 10 2. 0.23555E-06 0.27304E-06 0.3457 0.00000000E+00 Fe++ 11 2. 0.80174E-08 0.51630E-13 0.3467 0.00000000E+00 K+ 12 1. 0.37157E-02 0.51778E-02 0.7619 0.00000000E+00 Na+ 13 1. 0.29633E-01 0.40718E-01 0.7580 0.00000000E+00 Mn++ 14 2. 0.27404E-08 0.77069E-09 0.3475 0.00000000E+00 Zn++ 15 2. 0.15300E-07 0.34614E-13 0.3467 0.00000000E+00 Cu+ 16 1. 0.62374E-07 0.34910E-14 0.7579 0.00000000E+00 Pb++ 17 2. 0.11100E-07 0.30193E-14 0.3526 0.00000000E+00 Hg++ 18 2. 0.40000E-08 0.15702E-37 0.3513 0.00000000E+00 F- 19 -1. 0.24391E-03 0.33660E-03 0.7529 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 = 4.4757 SLIM = 0.100000E+03 TEMP = 148.0000 SINC = -.2000E+01 TEMPC = 0.0000 TOTMIX = 0.000000E+00 ENTH = 296.5306 SENTH = 296.5306 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 = 2 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. -24.4656 MnSO4,aq 108 0. -2.9147 HSiO3- 21 -1. 8.8671 NaCl,aq 109 0. 0.2252 Ca(HSiO3)+ 22 1. 7.1256 NaF,aq 110 0. 0.3499 Mg(HSiO3)+ 23 1. 7.1153 NaOH,aq 111 0. 11.6661 NaHSiO3,aq 24 0. 7.8142 O2,aq 112 0. 46.1923 AlO+ 25 1. 5.2934 OH- 113 -1. 11.6498 AlOH+2 26 2. 2.2299 HO2- 114 -1. 45.5103 HAlO2,aq 27 0. 8.4121 H2O2,aq 115 0. 34.9263 AlO2- 28 -1. 13.5584 PbCl+ 116 1. -2.1695 CH4,aq 29 0. 6.0152 PbCl2,aq 117 0. -3.2053 C2H6,aq 30 0. 12.2512 PbCl3- 118 -1. -3.0460 C3H8,aq 31 0. 17.3240 PbCl4-2 119 -2. -2.5036 C4H10,aq 32 0. 22.3833 PbF+ 120 1. -2.4180 ethanol,aq 33 0. 14.6295 PbF2,aq 121 0. -3.7019 CO,aq 34 0. 3.2613 PbO,aq 122 0. 12.3441 CO2,aq 35 0. -6.6454 HPbO2- 123 -1. 21.9730 CO3-2 36 -2. 10.1921 Pb(HS)2,aq 124 0. -12.4803 CaCO3,aq 37 0. 5.5097 Pb(HS)3- 125 -1. -13.6970 Ca(HCO3)+ 38 1. -1.8285 H2S,aq 126 0. -6.5487 CaCl+ 39 1. -0.6619 S2-2 127 -2. 1.1122 CaCl2,aq 40 0. -0.0921 S3-2 128 -2. -8.4916 CaF+ 41 1. -1.6291 S3- 129 -1. -16.5342 CaOH+ 42 1. 8.9465 S4-2 130 -2. -17.9338 CaSO4,aq 43 0. -2.8920 S5-2 131 -2. -27.2193 HCl,aq 44 0. 0.5301 SO2,aq 132 0. -2.1614 HClO,aq 45 0. 27.8200 SO3-2 133 -2. 9.5917 ClO- 46 -1. 35.0714 HSO3- 134 -1. 1.2478 HClO2,aq 47 0. 60.7576 HSO4- 135 -1. -3.6938 Cu+2 48 2. 0.4406 HSO5- 136 -1. 32.5319 CuCl+ 49 1. -0.6561 S2O3-2 137 -2. -4.6737 CuCl2,aq 50 0. -0.0429 HS2O3- 138 -1. -7.4007 CuCl3- 51 -1. 1.7100 H2S2O3,aq 139 0. -9.0007 CuCl4-2 52 -2. 4.8708 S2O4-2 140 -2. 8.4044 CuCl,aq 53 0. -3.7632 HS2O4- 141 -1. 5.0833 CuCl2- 54 -1. -5.0441 H2S2O4,aq 142 0. 3.6389 CuCl3-2 55 -2. -3.7369 S2O5-2 143 -2. 7.7676 CuF+ 56 1. -1.7258 S2O6-2 144 -2. 8.8069 CuO,aq 57 0. 11.5017 S2O8-2 145 -2. 34.7406 CuOH+ 58 1. 6.0585 S3O6-2 146 -2. 1.4017 CuO2-2 59 -2. 32.8432 S4O6-2 147 -2. -19.0419 HCuO2- 60 -1. 21.2006 S5O6-2 148 -2. -15.5537 HF,aq 61 0. -4.3179 ZnCl+ 149 1. -2.9803 HF2- 62 -1. -3.8606 ZnCl2,aq 150 0. -2.8632 Fe+3 63 3. 8.1995 ZnCl3- 151 -1. -2.0220 FeCl+ 64 1. -0.5873 ZnF+ 152 1. -1.8466 FeCl2,aq 65 0. 2.1535 ZnO,aq 153 0. 12.4459 FeCl+2 66 2. 5.9765 ZnOH+ 154 1. 4.0406 FeF+ 67 1. -2.0436 ZnO2-2 155 -2. 32.2817 FeF+2 68 2. 0.6154 HZnO2- 156 -1. 21.3340 FeO,aq 69 0. 14.6358 AlF++ 157 2. -8.1786 FeOH+ 70 1. 6.6644 AlF2+ 158 1. -14.7143 HFeO2- 71 -1. 22.3064 AlF3,aq 159 0. -19.2599 FeO+ 72 1. 10.1775 AlF4- 160 -1. -22.0887 FeOH+2 73 2. 8.3017 AlF5-- 161 -2. -23.6798 FeO2- 74 -1. 21.4717 AlSO4+ 162 1. -3.9785 HFeO2,aq 75 0. 14.0651 Al(SO4)2- 163 -1. -6.2985 H2,aq 76 0. 8.4188 Cu(HS)2- 164 -1. -13.9877 Hg,aq 77 0. -9.6771 CuH4S3-a 165 -1. -19.3012 Hg2+2 78 2. -16.4856 CuH4S3-b 166 -1. -23.2978 HgCl+ 79 1. -6.3648 FeCl4-- 167 -2. 0.1229 HgCl2,aq 80 0. -11.7912 FeCl2+ 168 1. 6.8152 HgCl3- 81 -1. -12.0183 FeCl3,aq 169 0. 3.5118 HgCl4-2 82 -2. -12.1215 FeCl4- 170 -1. 4.5886 HgF+ 83 1. -2.2895 FeF2+ 171 1. -0.3974 HgO,aq 84 0. 4.7925 FeF3,aq 172 0. -7.0944 HgOH+ 85 1. 1.6280 FeSO4,aq 173 0. -3.3203 HHgO2- 86 -1. 17.1071 FeSO4+ 174 1. 2.2117 Hg(OH)2,aq 87 0. 3.7294 HgClOH,aq 175 0. -4.7751 HgS(HS)- 88 -1. -25.1692 HgS2-- 176 -2. -16.4472 Hg(HS)2,aq 89 0. -30.6150 HgH4S3,aq 177 0. -39.6190 KCl,aq 90 0. 1.2736 Hg(HS)3- 178 -1. -32.1194 KHSO4,aq 91 0. -1.7633 MgSO4,aq 179 0. -3.4824 KOH,aq 92 0. 11.5782 MnCl2,aq 180 0. -2.0757 KSO4- 93 -1. -1.5066 MnCl3- 181 -1. -2.5375 MgCO3,aq 94 0. 6.2406 MnCO3,aq 182 0. 3.7310 Mg(HCO3)+ 95 1. -1.8331 NaCO3- 183 -1. 8.8415 MgCl+ 96 1. -0.5206 NaHCO3,aq 184 0. 0.3473 MgF+ 97 1. -2.1500 NaHS,aq 185 0. 0.3473 MgOH+ 98 1. 8.3304 NaSO4- 186 -1. -1.1122 Mn+3 99 3. 18.2223 PbCO3,aq 187 0. -0.0883 MnF+ 100 1. -1.6085 PbOH+ 188 1. 4.2802 MnO,aq 101 0. 16.1629 PbH4S3,aq 189 0. -19.6978 MnOH+ 102 1. 7.6015 S-- 190 -2. 15.5932 MnO2-2 103 -2. 37.3468 ZnHCO3+ 191 1. -2.1827 HMnO2- 104 -1. 26.7371 ZnSO4,aq 192 0. -2.9659 MnO4- 105 -1. 72.7189 Zn(HS)2,aq 193 0. -12.2939 MnO4-2 106 -2. 72.4581 Zn(HS)3- 194 -1. -14.1904 MnCl+ 107 1. -1.4434 Zn(HS)4-- 195 -2. -13.2794 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 0.023 0.1593E+02 pyrrhotite 139 -4.705 0.0000E+00 CO2,gas 2 -8.097 0.1777E+00 pyrrhotiteFe0.875 140 -6.215 0.0000E+00 CH4,gas 3 3.601 0.3232E-02 pyroxmangite 141 6.215 0.0000E+00 H2,gas 4 6.085 0.4107E-02 pyrophyllite 142 -8.383 0.0000E+00 H2S,gas 5 -7.418 0.5408E-02 quartz 143 -2.675 0.6254E-02 CO,gas 6 0.888 0.5798E-07 rankinite 144 35.452 0.0000E+00 SO2,gas 7 -2.353 0.1540E-14 riebeckite 145 16.284 0.0000E+00 HF,gas 8 -1.769 0.1017E-07 ringwoodite-Fe 146 12.645 0.0000E+00 HCl,gas 9 2.735 0.4027E-10 ringwoodite-Mg 147 23.379 0.0000E+00 Hg,gas 10 -11.414 0.3997E-08 rhodochrosite 148 -1.503 0.0000E+00 acmite 11 6.607 0.0000E+00 rhodonite 149 6.249 0.0000E+00 akermanite 12 31.211 0.0000E+00 sanidine 150 -2.332 0.0000E+00 akimotoite 13 14.202 0.0000E+00 sapphirine(351) 151 52.242 0.0000E+00 akimotoite-Fe 14 11.042 0.0000E+00 siderite 152 -3.173 0.0000E+00 albite-high 15 -0.846 0.0000E+00 sillimanite 153 1.463 0.0000E+00 albite 16 -1.700 0.0000E+00 sodalite 154 36.425 0.0000E+00 almandine 17 16.771 0.0000E+00 spinel 155 14.777 0.0000E+00 pyrope 18 28.083 0.0000E+00 spurrite 156 51.396 0.0000E+00 spessartine 19 17.585 0.0000E+00 staurolite-Fe 157 35.320 0.0000E+00 analcite 20 1.680 0.0000E+00 staurolite-Mg 158 49.650 0.0000E+00 andalusite 21 1.248 0.0000E+00 staurolite-Mn 159 45.318 0.0000E+00 andradite 22 32.955 0.0000E+00 stilbite 160 -8.873 0.0000E+00 grossular 23 25.509 0.0000E+00 stilpnomelane-Fe 161 7.164 0.0000E+00 anhydrite 24 -6.210 0.0000E+00 stilpnomelane-Mg 162 19.660 0.0000E+00 ankerite 25 -3.342 0.0000E+00 stishovite 163 2.491 0.0000E+00 annite 26 15.219 0.0000E+00 sudoite-Fe 164 9.776 0.0000E+00 phlogopite 27 21.464 0.0000E+00 sudoite 165 12.292 0.0000E+00 biotite-Mn 28 27.273 0.0000E+00 sulfur 166 -8.787 0.0000E+00 anorthite 29 7.713 0.0000E+00 sylvite 167 1.369 0.0000E+00 anthophyllite 30 42.348 0.0000E+00 talc 168 13.298 0.0000E+00 anthophyllite-Fe 31 22.338 0.0000E+00 talc-Fe 169 10.515 0.0000E+00 aragonite 32 0.301 0.0000E+00 talc-tschermaks 170 12.910 0.0000E+00 brucite 33 10.856 0.0000E+00 tenorite 171 4.818 0.0000E+00 calcite 34 0.145 0.0000E+00 tephroite 172 15.378 0.0000E+00 carnegieite-low 35 6.718 0.0000E+00 tilleyite 173 34.919 0.0000E+00 carnegieite-high 36 7.572 0.0000E+00 titanite-CaSi 174 13.634 0.0000E+00 carpholite-Mg 37 4.463 0.0000E+00 topaz-H 175 1.350 0.0000E+00 carpholite-Fe 38 2.781 0.0000E+00 tridymite 176 -2.380 0.0000E+00 celadonite 39 3.402 0.0000E+00 tremolite 177 39.615 0.0000E+00 celadonite-Fe 40 2.021 0.0000E+00 ferroactinolite 178 31.109 0.0000E+00 chrysotile 41 20.119 0.0000E+00 troilite-low 179 -4.805 0.0000E+00 chondrodite 42 47.527 0.0000E+00 tschermakite 180 34.649 0.0000E+00 chlorite-Al-free 43 39.743 0.0000E+00 vesuvianite 181 177.715 0.0000E+00 chloritoid-Mg 44 8.318 0.0000E+00 wadeite-Si 182 18.969 0.0000E+00 chloritoid-Fe 45 4.787 0.0000E+00 wadsleyite-Fe 183 12.800 0.0000E+00 chloritoid-Mn 46 7.005 0.0000E+00 wadsleyite-Mg 184 21.821 0.0000E+00 clinohumite 47 81.404 0.0000E+00 wairakite 185 0.256 0.0000E+00 coesite 48 -2.120 0.0000E+00 walstromite 186 9.986 0.0000E+00 cordierite-H 49 13.238 0.0000E+00 wollastonite 187 9.063 0.0000E+00 cordierite 50 13.523 0.0000E+00 pseudo-wollastonite 188 9.510 0.0000E+00 cordierite-Fe 51 10.293 0.0000E+00 zoisite 189 15.236 0.0000E+00 cordierite-Mn 52 14.825 0.0000E+00 akaganeite 190 6.292 0.0000E+00 corundum 53 4.273 0.0000E+00 beidellite-Ca 191 -4.941 0.0000E+00 corundum-MgSi 54 16.239 0.0000E+00 beidellite-H 192 -5.487 0.0000E+00 cristobalite 55 -2.336 0.0000E+00 beidellite-K 193 -4.623 0.0000E+00 cummingtonite 56 42.563 0.0000E+00 beidellite-Mg 194 -5.124 0.0000E+00 cuprite 57 -0.110 0.0000E+00 beidellite-Na 195 -4.504 0.0000E+00 cymrite-K 58 0.363 0.0000E+00 bornite 196 -79.857 0.8017E-08 deerite 59 75.520 0.0000E+00 calcium 197 74.414 0.0000E+00 diaspore 60 1.166 0.0000E+00 chalcedony 198 -2.509 0.0000E+00 diamond 61 -2.535 0.0000E+00 chalcocite 199 -24.699 0.0000E+00 diopside 62 13.619 0.0000E+00 covellite 200 -17.911 0.0000E+00 hedenbergite 63 11.832 0.0000E+00 dawsonite 201 0.455 0.0000E+00 dolomite,ordered 64 -0.930 0.0000E+00 montmorillonite-Ca 202 -4.663 0.0000E+00 eastonite 65 20.080 0.0000E+00 montmorillonite-K 203 -4.431 0.0000E+00 enstatite 66 14.197 0.0000E+00 montmorillonite-Mg 204 -4.884 0.0000E+00 clinoenstatite-HiP 67 15.168 0.0000E+00 montmorillonite-Na 205 -4.274 0.0000E+00 clinoenstatite 68 14.112 0.0000E+00 montroydite 206 1.281 0.0000E+00 protoenstatite 69 14.665 0.0000E+00 nontronite-Ca 207 1.414 0.0000E+00 epidote 70 17.866 0.0000E+00 nontronite-H 208 0.865 0.0000E+00 clinozoisite 71 15.191 0.0000E+00 nontronite-K 209 1.731 0.0000E+00 epidote-Fe 72 23.490 0.0000E+00 nontronite-Mg 210 1.232 0.0000E+00 fayalite 73 11.321 0.0000E+00 nontronite-Na 211 1.851 0.0000E+00 ferrosilite 74 8.748 0.0000E+00 sepiolite 212 20.865 0.0000E+00 forsterite 75 17.525 0.0000E+00 topaz 213 -19.011 0.0000E+00 gedrite 76 35.907 0.0000E+00 alite 214 50.790 0.0000E+00 gehlenite 77 28.773 0.0000E+00 belite 215 26.551 0.0000E+00 gibbsite 78 2.406 0.0000E+00 ettringite 216 36.400 0.0000E+00 glaucophane 79 16.774 0.0000E+00 gypsum 217 -5.477 0.0000E+00 glaucophane-Fe 80 11.629 0.0000E+00 hemicarboaluminate 218 61.407 0.0000E+00 goethite 81 5.255 0.0000E+00 hydrogarnet 219 51.439 0.0000E+00 graphite 82 -2.953 0.0000E+00 hydrogarnet-Si 220 42.241 0.0000E+00 greenalite 83 13.173 0.0000E+00 jennite 221 22.059 0.0000E+00 grunerite 84 23.970 0.0000E+00 monosulfoaluminate 222 44.326 0.0000E+00 halite 85 1.448 0.0000E+00 monocarboaluminate 223 53.215 0.0000E+00 hematite 86 10.014 0.0000E+00 portlandite 224 16.223 0.0000E+00 heulandite 87 -8.276 0.0000E+00 stratlingite 225 30.247 0.0000E+00 hercynite 88 11.557 0.0000E+00 tricarboaluminate 226 63.218 0.0000E+00 hollandite 89 21.850 0.0000E+00 tobermorite 227 9.136 0.0000E+00 iron 90 16.692 0.0000E+00 C4AH13 228 71.626 0.0000E+00 jadeite 91 2.600 0.0000E+00 C2AH8 229 38.373 0.0000E+00 julgoldite 92 59.329 0.0000E+00 C3A 230 73.153 0.0000E+00 kalsilite 93 5.539 0.0000E+00 C4AF 231 98.856 0.0000E+00 kaolinite 94 -3.809 0.0000E+00 CAH10 232 23.829 0.0000E+00 kyanite 95 1.197 0.0000E+00 alabandite 233 -1.642 0.0000E+00 larnite-bredigite 96 26.783 0.0000E+00 alunite 234 -15.191 0.0000E+00 laumontite 97 -0.252 0.0000E+00 anglesite 235 -8.281 0.0000E+00 lawsonite 98 5.789 0.0000E+00 artinite 236 13.045 0.0000E+00 leucite 99 2.325 0.0000E+00 azurite 237 3.745 0.0000E+00 lime 100 22.872 0.0000E+00 boehmite 238 2.426 0.0000E+00 lizardite 101 19.617 0.0000E+00 cerussite 239 -2.938 0.0000E+00 magnesite 102 -0.240 0.0000E+00 chalcopyrite 240 -26.534 0.0000E+00 magnetite 103 16.102 0.0000E+00 cinnabar 241 -28.743 0.0000E+00 minnesotaite 104 7.783 0.0000E+00 metacinnabar 242 -28.578 0.0000E+00 minnesotaite-Mg 105 16.908 0.0000E+00 copper,native 243 -2.248 0.0000E+00 magnesioferrite 106 21.525 0.0000E+00 dolomite,disordered 244 -0.376 0.0000E+00 majorite 107 45.063 0.0000E+00 ferrous-oxide 245 8.101 0.0000E+00 manganosite 108 12.130 0.0000E+00 fluorite 246 -10.249 0.0000E+00 margarite 109 9.060 0.0000E+00 galena 247 -11.124 0.1084E-07 meionite 110 28.195 0.0000E+00 huntite 248 0.141 0.0000E+00 merwinite 111 48.313 0.0000E+00 litharge 249 9.206 0.0000E+00 microcline 112 -3.405 0.1975E-05 hydromagnesite 250 14.598 0.0000E+00 monticellite 113 20.822 0.0000E+00 malachite 251 2.764 0.0000E+00 mullite-Al 114 314.419 0.0000E+00 mercury 252 -14.677 0.0000E+00 mullite-Si 115 3.201 0.0000E+00 nesquehonite 253 4.566 0.0000E+00 muscovite 116 -1.750 0.0000E+00 potassium-oxide 254 62.257 0.0000E+00 paragonite 117 -0.389 0.0000E+00 silica-amorphous 255 -1.931 0.0000E+00 nepheline 118 6.095 0.0000E+00 smithsonite 256 -1.449 0.0000E+00 osumilite(1) 119 9.889 0.0000E+00 sodium-oxide 257 49.711 0.0000E+00 osumilite(2) 120 11.739 0.0000E+00 sphalerite 258 -10.072 0.1371E-07 osumilite-Fe 121 3.545 0.0000E+00 wurtzite 259 -8.448 0.0000E+00 pargasite 122 50.689 0.0000E+00 zincite 260 6.719 0.0000E+00 periclase 123 13.764 0.0000E+00 an20ab80 261 -0.035 0.0000E+00 periclase-Fe 124 9.729 0.0000E+00 an25ab75 262 0.409 0.0000E+00 perovskite-Al 125 7.779 0.0000E+00 an30ab70 263 0.858 0.0000E+00 perovskite-Ca 126 20.947 0.0000E+00 tr.625ac.25prg.125 264 36.370 0.0000E+00 perovskite-Fe 127 18.205 0.0000E+00 Al2(SO4)3 265 -2.094 0.0000E+00 perovskite-Mg 128 19.972 0.0000E+00 caminite-625 266 -0.019 0.0000E+00 phase_A 129 68.206 0.0000E+00 caminite-75 267 2.414 0.0000E+00 phlogopite-Na 130 23.598 0.0000E+00 Fe2(SO4)3,s 268 3.523 0.0000E+00 piemontite(ordered) 131 26.066 0.0000E+00 FeS-amorphous 269 -3.597 0.0000E+00 prehnite 132 13.843 0.0000E+00 FeSO4,s 270 -2.807 0.0000E+00 prehnite-Fe 133 17.574 0.0000E+00 franklinite 271 16.787 0.0000E+00 pumpellyite-Fe 134 33.010 0.0000E+00 jarosite 272 6.186 0.0000E+00 pumpellyite-Mg 135 35.436 0.0000E+00 MnO2,s 273 22.948 0.0000E+00 px-Mg-tschermaks 136 13.596 0.0000E+00 Mn2O3,s 274 27.633 0.0000E+00 px-Ca-tschermaks 137 13.121 0.0000E+00 Mn3O4,s 275 35.191 0.0000E+00 pyrite 138 -20.156 0.0000E+00 paralaurite 276 0.287 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 diopside 5 hedenbergite 5 epidote 3 clinozoisite 3 iron 9 magnetite 14 talc 7 talc-Fe 7 tremolite 2 ferroactinolite 2 Temperature : 148.00DegC (H2O saturation P) Enthalpy of water : 2.6945 kcal/mole Current total enthalpy: 296.5306 kcal Enthalpy of H2O,gas : 11.8702 kcal/mole Enthalpy of CO2,gas : 1.4911 kcal/mole Enthalpy of CH4,gas : 1.4446 kcal/mole ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ 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 = 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 = .4683433E-01 Osmotic coef. = 0.9275 True ionic strength = .4603758E-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-- 0.21393E-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++ 0.27585E-06 -6.5593 0.95354E-07 -7.0207 0.34567E+00 -0.4613 11 Fe++ 0.51632E-13 -13.2871 0.17901E-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++ 0.77073E-09 -9.1131 0.26781E-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 -14.5775 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 0.55168E-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)+ 0.47914E-09 -9.3195 0.36527E-09 -9.4374 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+ 0.20405E-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 0.22307E-06 -6.6515 0.22307E-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 0.96513E-07 -7.0154 0.75808E+00 -0.1203 94 MgCO3,aq 0.27356E-08 -8.5629 0.27356E-08 -8.5629 0.10000E+01 0.0000 95 Mg(HCO3)+ 0.18000E-07 -7.7447 0.13722E-07 -7.8626 0.76234E+00 -0.1179 96 MgCl+ 0.13297E-07 -7.8762 0.10137E-07 -7.9941 0.76234E+00 -0.1179 97 MgF+ 0.44769E-08 -8.3490 0.34129E-08 -8.4669 0.76234E+00 -0.1179 98 MgOH+ 0.13807E-07 -7.8599 0.10526E-07 -7.9777 0.76234E+00 -0.1179 101 MnO,aq 0.10271E-10 -10.9884 0.10271E-10 -10.9884 0.10000E+01 0.0000 102 MnOH+ 0.20772E-09 -9.6825 0.15835E-09 -9.8004 0.76234E+00 -0.1179 107 MnCl+ 0.31266E-09 -9.5049 0.23835E-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- 0.70202E-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 -10.2019 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 0.22994E-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 0.22064E-09 -9.6563 0.22064E-09 -9.6563 0.10000E+01 0.0000 180 MnCl2,aq 0.32772E-10 -10.4845 0.32772E-10 -10.4845 0.10000E+01 0.0000 182 MnCO3,aq 0.24841E-08 -8.6048 0.24841E-08 -8.6048 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+ 0.5520213E-07 0.2450948E-03 0.2462776E+00 0.0000 2 H2O 0.1000000E+01 0.5550781E+02 0.9969007E+06 0.0000 3 Cl- 0.4229154E-01 0.4289024E-01 0.1515890E+04 5.8793 4 SO4-- 0.2139251E-05 0.1564723E-05 0.1498455E+00 8.6286 5 HCO3- 0.2776521E-02 0.3224780E-02 0.1961592E+03 4.6983 6 HS- 0.3942794E-03 0.4450328E-03 0.1467266E+02 3.8490 7 H4SiO4 0.2114491E-02 0.2227694E-02 0.2134543E+03 -2.6748 8 Al+++ 0.3492789E-21 0.3884279E-06 0.1044799E-01 -0.3504 9 Ca++ 0.4121134E-04 0.4972280E-04 0.1986634E+01 9.9056 10 Mg++ 0.2758492E-06 0.3288656E-06 0.7970681E-02 7.7260 11 Fe++ 0.5163151E-13 0.2246906E-12 0.1250953E-07 0.9995 12 K+ 0.5177840E-02 0.5184950E-02 0.2021156E+03 4.9694 13 Na+ 0.4071774E-01 0.4137238E-01 0.9482044E+03 5.8628 14 Mn++ 0.7707344E-09 0.3826067E-08 0.2095471E-03 5.1745 15 Zn++ 0.3461419E-13 0.2213458E-08 0.1442467E-03 0.8259 16 Cu+ 0.3491006E-14 0.3111765E-07 0.1971108E-02 -7.2041 17 Pb++ 0.3019254E-14 0.3567903E-09 0.7369501E-04 -0.2261 18 Hg++ 0.1570237E-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 0.1755493E-03 -.7949482E-05 0.1820496E+00 2 H2O 0.5550825E+02 0.3975752E+02 -.1251557E-01 0.1576325E+02 3 Cl- 0.3072017E-01 0.3072017E-01 0.0000000E+00 0.4026988E-10 4 SO4-- -.4257700E-02 0.1120734E-05 0.1002151E-08 -.4258822E-02 5 HCO3- 0.1832100E+00 0.2309752E-02 0.0000000E+00 0.1809002E+00 6 HS- 0.9985820E-02 0.3187551E-03 0.5562575E-07 0.9667009E-02 7 H4SiO4 0.7855346E-02 0.1595588E-02 0.6259758E-02 0.0000000E+00 8 Al+++ 0.2253680E-05 0.2782118E-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 0.2355503E-06 0.0000000E+00 0.0000000E+00 11 Fe++ 0.8017372E-08 0.1609348E-12 0.8017211E-08 0.0000000E+00 12 K+ 0.3715700E-02 0.3713725E-02 0.1975468E-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 0.0000000E+00 0.0000000E+00 15 Zn++ 0.1530000E-07 0.1585391E-08 0.1371461E-07 0.0000000E+00 16 Cu+ 0.6237410E-07 0.2228804E-07 0.4008606E-07 0.0000000E+00 17 Pb++ 0.1110000E-07 0.2555513E-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 0.1016915E-07 Chg. balance for solid moles: 0.2596E-16 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 microcline 0.1975E-05 -5.704 0.5499E-03 -3.260 0.1461 0.2148E-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 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: 29.099021 % 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 0.19537E-10 2 CO2,gas -8.10 -8.10 0.00 0.000 -0.13693E-10 3 CH4,gas 3.60 3.60 0.00 0.000 -0.17972E-10 4 H2,gas 6.08 6.08 0.00 0.000 0.00000E+00 5 H2S,gas -7.42 -7.42 -0.00 -0.000 0.51349E-11 6 CO,gas 0.89 0.89 -0.00 -0.000 0.40651E-11 7 SO2,gas -2.35 -2.35 0.00 0.000 -0.59907E-11 8 HF,gas -1.77 -1.77 0.00 0.000 -0.34232E-11 9 HCl,gas 2.74 2.74 0.00 0.000 -0.34232E-11 10 Hg,gas -11.41 -11.41 -0.00 -0.000 0.34232E-11 112 microcline -3.41 -3.41 0.00 0.000 -0.17116E-11 143 quartz -2.67 -2.67 -0.00 -0.000 0.85581E-12 196 bornite -79.86 -79.86 0.00 0.000 0.00000E+00 247 galena -11.12 -11.12 0.00 0.000 0.00000E+00 258 sphalerite -10.07 -10.07 -0.00 -0.000 0.10270E-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 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 19.77 -1.69 -0.094 0.32589E+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 7.73 -3.13 -0.626 0.60313E+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 1.68 -2.79 -0.186 0.53708E+04 39 celadonite 3.40 1.65 -1.76 -0.103 0.33847E+04 41 chrysotile 20.12 17.83 -2.29 -0.191 0.44139E+04 43 chlorite-Al-free 39.74 35.66 -4.09 -0.170 0.78742E+04 44 chloritoid-Mg 8.32 4.35 -3.97 -0.264 0.76456E+04 48 coesite -2.12 -2.67 -0.55 -0.185 0.10682E+04 53 corundum 4.27 -0.70 -4.97 -0.452 0.95851E+04 55 cristobalite -2.34 -2.67 -0.34 -0.113 0.65326E+03 58 cymrite-K 0.36 -3.41 -3.77 -0.314 0.72625E+04 60 diaspore 1.17 -0.35 -1.52 -0.253 0.29216E+04 61 diamond -2.54 -5.06 -2.53 -0.723 0.48747E+04 62 diopside 13.62 12.28 -1.34 -0.134 0.25755E+04 64 dolomite,ordered -0.93 -2.47 -1.54 -0.256 0.29586E+04 66 enstatite 14.20 10.10 -4.09 -0.409 0.78914E+04 68 clinoenstatite 14.11 10.10 -4.01 -0.401 0.77268E+04 69 protoenstatite 14.66 10.10 -4.56 -0.456 0.87920E+04 71 clinozoisite 15.19 10.74 -4.46 -0.203 0.85863E+04 75 forsterite 17.53 12.78 -4.75 -0.678 0.91497E+04 78 gibbsite 2.41 -0.35 -2.76 -0.394 0.53116E+04 79 glaucophane 16.77 12.80 -3.97 -0.107 0.76505E+04 82 graphite -2.95 -5.06 -2.11 -0.603 0.40691E+04 85 halite 1.45 -3.00 -4.45 -2.226 0.85800E+04 87 heulandite -8.28 -9.52 -1.24 -0.056 0.23954E+04 91 jadeite 2.60 0.16 -2.44 -0.244 0.46971E+04 93 kalsilite 5.54 1.94 -3.60 -0.514 0.69284E+04 94 kaolinite -3.81 -6.05 -2.24 -0.204 0.43185E+04 95 kyanite 1.20 -3.38 -4.57 -0.457 0.88121E+04 97 laumontite -0.25 -1.49 -1.24 -0.083 0.23950E+04 98 lawsonite 5.79 3.86 -1.93 -0.129 0.37257E+04 99 leucite 2.32 -0.73 -3.06 -0.306 0.58879E+04 101 lizardite 19.62 17.83 -1.79 -0.149 0.34472E+04 102 magnesite -0.24 -2.32 -2.08 -0.694 0.40128E+04 105 minnesotaite-Mg 16.91 12.48 -4.43 -0.261 0.85365E+04 116 muscovite -1.75 -4.11 -2.36 -0.139 0.45410E+04 117 paragonite -0.39 -3.21 -2.82 -0.166 0.54423E+04 118 nepheline 6.09 2.84 -3.26 -0.465 0.62772E+04 130 phlogopite-Na 23.60 20.67 -2.93 -0.163 0.56510E+04 132 prehnite 13.84 11.09 -2.76 -0.162 0.53133E+04 138 pyrite -20.16 -23.29 -3.13 -0.737 0.60354E+04 140 pyrrhotiteFe0.875 -6.21 -10.33 -4.12 -1.514 0.79348E+04 141 pyroxmangite 6.21 2.50 -3.71 -0.743 0.71590E+04 142 pyrophyllite -8.38 -11.40 -3.02 -0.189 0.58140E+04 148 rhodochrosite -1.50 -4.87 -3.37 -1.124 0.64967E+04 149 rhodonite 6.25 2.50 -3.75 -0.750 0.72254E+04 150 sanidine -2.33 -3.41 -1.07 -0.083 0.20678E+04 153 sillimanite 1.46 -3.38 -4.84 -0.484 0.93251E+04 160 stilbite -8.87 -9.52 -0.65 -0.031 0.12446E+04 162 stilpnomelane-Mg 19.66 19.02 -0.64 -0.019 0.12430E+04 166 sulfur -8.79 -13.39 -4.60 -1.416 0.88684E+04 168 talc 13.30 12.48 -0.82 -0.048 0.15795E+04 175 topaz-H 1.35 -3.38 -4.73 -0.430 0.91064E+04 176 tridymite -2.38 -2.67 -0.29 -0.098 0.56744E+03 177 tremolite 39.61 37.04 -2.57 -0.070 0.49563E+04 185 wairakite 0.26 -1.49 -1.75 -0.103 0.33732E+04 186 walstromite 9.99 7.23 -2.76 -0.551 0.53099E+04 187 wollastonite 9.06 7.23 -1.83 -0.366 0.35301E+04 188 pseudo-wollastonite 9.51 7.23 -2.28 -0.456 0.43921E+04 189 zoisite 15.24 10.74 -4.50 -0.205 0.86732E+04 191 beidellite-Ca -4.94 -9.00 -4.06 -0.251 0.78191E+04 193 beidellite-K -4.62 -8.99 -4.37 -0.268 0.84213E+04 194 beidellite-Mg -5.12 -9.36 -4.23 -0.262 0.81604E+04 195 beidellite-Na -4.50 -8.70 -4.19 -0.257 0.80823E+04 198 chalcedony -2.51 -2.67 -0.17 -0.055 0.31937E+03 199 chalcocite -24.70 -25.31 -0.61 -0.152 0.11686E+04 200 covellite -17.91 -19.35 -1.44 -0.547 0.27694E+04 201 dawsonite 0.45 -4.54 -4.99 -0.624 0.96181E+04 202 montmorillonite-Ca -4.66 -7.10 -2.44 -0.151 0.46961E+04 203 montmorillonite-K -4.43 -7.09 -2.66 -0.163 0.51343E+04 204 montmorillonite-Mg -4.88 -7.46 -2.58 -0.159 0.49634E+04 205 montmorillonite-Na -4.27 -6.80 -2.53 -0.155 0.48686E+04 227 tobermorite 9.14 5.58 -3.56 -0.971 0.68594E+04 233 alabandite -1.64 -5.72 -4.08 -1.360 0.78652E+04 238 boehmite 2.43 -0.35 -2.78 -0.463 0.53514E+04 240 chalcopyrite -26.53 -29.25 -2.71 -0.505 0.52263E+04 243 copper,native -2.25 -5.96 -3.71 -1.290 0.71494E+04 244 dolomite,disordered -0.38 -2.47 -2.09 -0.348 0.40251E+04 246 fluorite -10.25 -12.03 -1.78 -0.595 0.34391E+04 255 silica-amorphous -1.93 -2.67 -0.74 -0.248 0.14325E+04 259 wurtzite -8.45 -10.07 -1.62 -0.541 0.31292E+04 261 an20ab80 -0.04 -1.24 -1.20 -0.093 0.23188E+04 262 an25ab75 0.41 -0.92 -1.33 -0.102 0.25606E+04 263 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 = 9 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 = .4703449E-01 Osmotic coef. = 0.9279 True ionic strength = .4626004E-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+ 0.53251E-07 -7.2737 0.40881E-07 -7.3885 0.76770E+00 -0.1148 2 H2O 0.99999E+00 -0.0000 0.99999E+00 -0.0000 3 Cl- 0.42496E-01 -1.3717 0.32250E-01 -1.4915 0.75890E+00 -0.1198 4 SO4-- 0.22827E-05 -5.6416 0.81644E-06 -6.0881 0.35767E+00 -0.4465 5 HCO3- 0.27957E-02 -2.5535 0.21303E-02 -2.6716 0.76200E+00 -0.1180 6 HS- 0.38986E-03 -3.4091 0.29599E-03 -3.5287 0.75922E+00 -0.1196 7 H4SiO4 0.20572E-02 -2.6867 0.20572E-02 -2.6867 0.10000E+01 0.0000 8 Al+++ 0.35044E-21 -21.4554 0.34294E-22 -22.4648 0.97858E-01 -1.0094 9 Ca++ 0.41582E-04 -4.3811 0.14612E-04 -4.8353 0.35140E+00 -0.4542 10 Mg++ 0.27860E-06 -6.5550 0.96724E-07 -7.0145 0.34717E+00 -0.4595 11 Fe++ 0.35754E-13 -13.4467 0.12449E-13 -13.9049 0.34820E+00 -0.4582 12 K+ 0.52017E-02 -2.2839 0.39672E-02 -2.4015 0.76268E+00 -0.1177 13 Na+ 0.40915E-01 -1.3881 0.31046E-01 -1.5080 0.75879E+00 -0.1199 14 Mn++ 0.75735E-09 -9.1207 0.26429E-09 -9.5779 0.34897E+00 -0.4572 15 Zn++ 0.32998E-13 -13.4815 0.11490E-13 -13.9397 0.34820E+00 -0.4582 16 Cu+ 0.31944E-14 -14.4956 0.24236E-14 -14.6155 0.75869E+00 -0.1199 17 Pb++ 0.27095E-14 -14.5671 0.95940E-15 -15.0180 0.35409E+00 -0.4509 18 Hg++ 0.13014E-37 -37.8856 0.45914E-38 -38.3381 0.35281E+00 -0.4525 19 F- 0.33823E-03 -3.4708 0.25495E-03 -3.5935 0.75377E+00 -0.1228 21 HSiO3- 0.89353E-04 -4.0489 0.67810E-04 -4.1687 0.75890E+00 -0.1198 22 Ca(HSiO3)+ 0.68775E-07 -7.1626 0.52482E-07 -7.2800 0.76311E+00 -0.1174 23 Mg(HSiO3)+ 0.46989E-09 -9.3280 0.35858E-09 -9.4454 0.76311E+00 -0.1174 24 NaHSiO3,aq 0.24000E-04 -4.6198 0.24000E-04 -4.6198 0.10000E+01 0.0000 27 HAlO2,aq 0.16273E-08 -8.7885 0.16273E-08 -8.7885 0.10000E+01 0.0000 28 AlO2- 0.36016E-06 -6.4435 0.27174E-06 -6.5658 0.75451E+00 -0.1223 29 CH4,aq 0.75482E-06 -6.1222 0.74400E-06 -6.1284 0.98567E+00 -0.0063 34 CO,aq 0.12859E-10 -10.8908 0.12859E-10 -10.8908 0.10000E+01 0.0000 35 CO2,aq 0.37701E-03 -3.4236 0.37160E-03 -3.4299 0.98567E+00 -0.0063 36 CO3-2 0.95771E-05 -5.0188 0.34072E-05 -5.4676 0.35576E+00 -0.4488 37 CaCO3,aq 0.22599E-05 -5.6459 0.22599E-05 -5.6459 0.10000E+01 0.0000 38 Ca(HCO3)+ 0.26290E-05 -5.5802 0.20062E-05 -5.6976 0.76311E+00 -0.1174 39 CaCl+ 0.27070E-05 -5.5675 0.20658E-05 -5.6849 0.76311E+00 -0.1174 40 CaCl2,aq 0.17755E-07 -7.7507 0.17755E-07 -7.7507 0.10000E+01 0.0000 41 CaF+ 0.19809E-06 -6.7031 0.15117E-06 -6.8205 0.76311E+00 -0.1174 42 CaOH+ 0.47875E-06 -6.3199 0.36534E-06 -6.4373 0.76311E+00 -0.1174 43 CaSO4,aq 0.89277E-08 -8.0493 0.89277E-08 -8.0493 0.10000E+01 0.0000 44 HCl,aq 0.37849E-09 -9.4219 0.37849E-09 -9.4219 0.10000E+01 0.0000 61 HF,aq 0.20696E-06 -6.6841 0.20696E-06 -6.6841 0.10000E+01 0.0000 62 HF2- 0.24287E-10 -10.6146 0.18431E-10 -10.7344 0.75890E+00 -0.1198 76 H2,aq 0.10894E-05 -5.9628 0.10738E-05 -5.9691 0.98567E+00 -0.0063 90 KCl,aq 0.65286E-05 -5.1852 0.65286E-05 -5.1852 0.10000E+01 0.0000 92 KOH,aq 0.24052E-06 -6.6189 0.24052E-06 -6.6189 0.10000E+01 0.0000 93 KSO4- 0.13259E-06 -6.8775 0.10062E-06 -6.9973 0.75890E+00 -0.1198 94 MgCO3,aq 0.28128E-08 -8.5509 0.28128E-08 -8.5509 0.10000E+01 0.0000 95 Mg(HCO3)+ 0.17607E-07 -7.7543 0.13436E-07 -7.8717 0.76311E+00 -0.1174 96 MgCl+ 0.13056E-07 -7.8842 0.99635E-08 -8.0016 0.76311E+00 -0.1174 97 MgF+ 0.43698E-08 -8.3595 0.33347E-08 -8.4769 0.76311E+00 -0.1174 98 MgOH+ 0.13219E-07 -7.8788 0.10088E-07 -7.9962 0.76311E+00 -0.1174 102 MnOH+ 0.19612E-09 -9.7075 0.14966E-09 -9.8249 0.76311E+00 -0.1174 107 MnCl+ 0.29102E-09 -9.5361 0.22208E-09 -9.6535 0.76311E+00 -0.1174 109 NaCl,aq 0.58102E-03 -3.2358 0.58102E-03 -3.2358 0.10000E+01 0.0000 110 NaF,aq 0.34405E-05 -5.4634 0.34405E-05 -5.4634 0.10000E+01 0.0000 111 NaOH,aq 0.15482E-05 -5.8102 0.15482E-05 -5.8102 0.10000E+01 0.0000 113 OH- 0.69450E-04 -4.1583 0.52400E-04 -4.2807 0.75451E+00 -0.1223 124 Pb(HS)2,aq 0.25939E-09 -9.5860 0.25939E-09 -9.5860 0.10000E+01 0.0000 126 H2S,aq 0.42828E-04 -4.3683 0.42214E-04 -4.3745 0.98567E+00 -0.0063 127 S2-2 0.61099E-10 -10.2140 0.21737E-10 -10.6628 0.35576E+00 -0.4488 135 HSO4- 0.20164E-09 -9.6954 0.15423E-09 -9.8118 0.76487E+00 -0.1164 154 ZnOH+ 0.30368E-10 -10.5176 0.23174E-10 -10.6350 0.76311E+00 -0.1174 164 Cu(HS)2- 0.30414E-07 -7.5169 0.23081E-07 -7.6367 0.75890E+00 -0.1198 166 CuH4S3-b 0.84459E-09 -9.0734 0.64096E-09 -9.1932 0.75890E+00 -0.1198 179 MgSO4,aq 0.23028E-09 -9.6377 0.23028E-09 -9.6377 0.10000E+01 0.0000 180 MnCl2,aq 0.29575E-10 -10.5291 0.29575E-10 -10.5291 0.10000E+01 0.0000 182 MnCO3,aq 0.25530E-08 -8.5930 0.25530E-08 -8.5930 0.10000E+01 0.0000 183 NaCO3- 0.30592E-05 -5.5144 0.23216E-05 -5.6342 0.75890E+00 -0.1198 184 NaHCO3,aq 0.29224E-04 -4.5343 0.29224E-04 -4.5343 0.10000E+01 0.0000 185 NaHS,aq 0.40603E-05 -5.3914 0.40603E-05 -5.3914 0.10000E+01 0.0000 186 NaSO4- 0.42486E-06 -6.3718 0.32242E-06 -6.4916 0.75890E+00 -0.1198 187 PbCO3,aq 0.59660E-10 -10.2243 0.59660E-10 -10.2243 0.10000E+01 0.0000 193 Zn(HS)2,aq 0.19547E-08 -8.7089 0.19547E-08 -8.7089 0.10000E+01 0.0000 194 Zn(HS)3- 0.59642E-10 -10.2244 0.45262E-10 -10.3443 0.75890E+00 -0.1198 Charge balance for all species = 0.3369E-07 Component Molality Aq.molality ppm log[A(N)/A(H+)**Z] (total) 1 H+ 0.5325106E-07 0.2183242E-03 0.2193764E+00 0.0000 2 H2O 0.1000000E+01 0.5550783E+02 0.9968944E+06 0.0000 3 Cl- 0.4249597E-01 0.4308628E-01 0.1522809E+04 5.8970 4 SO4-- 0.2282695E-05 0.1822339E-05 0.1745148E+00 8.6889 5 HCO3- 0.2795706E-02 0.3220241E-02 0.1958818E+03 4.7169 6 HS- 0.3898569E-03 0.4378399E-03 0.1443541E+02 3.8598 7 H4SiO4 0.2057238E-02 0.2170661E-02 0.2079880E+03 -2.6867 8 Al+++ 0.3504447E-21 0.3617836E-06 0.9731245E-02 -0.2993 9 Ca++ 0.4158182E-04 0.4995008E-04 0.1995702E+01 9.9417 10 Mg++ 0.2786031E-06 0.3303688E-06 0.8007061E-02 7.7625 11 Fe++ 0.3575383E-13 0.1503380E-12 0.8369935E-08 0.8721 12 K+ 0.5201719E-02 0.5208621E-02 0.2030370E+03 4.9870 13 Na+ 0.4091471E-01 0.4156149E-01 0.9525322E+03 5.8805 14 Mn++ 0.7573534E-09 0.3843556E-08 0.2105035E-03 5.1990 15 Zn++ 0.3299845E-13 0.2047445E-08 0.1334271E-03 0.8373 16 Cu+ 0.3194437E-14 0.3125951E-07 0.1980080E-02 -7.2271 17 Pb++ 0.2709478E-14 0.3225418E-09 0.6662055E-04 -0.2410 18 Hg++ 0.1301368E-37 0.4724959E-11 0.9448452E-06 -23.5611 19 F- 0.3382304E-03 0.3420804E-03 0.6478723E+01 3.7949 Component Tot moles Aq. moles Solid moles Gas moles 1 H+ 0.1822172E+00 0.1556633E-03 -.8030685E-05 0.1820696E+00 2 H2O 0.5550825E+02 0.3957663E+02 -.1261138E-01 0.1594423E+02 3 Cl- 0.3072017E-01 0.3072017E-01 0.0000000E+00 0.3683419E-10 4 SO4-- -.4257700E-02 0.1299313E-05 0.1002158E-08 -.4259000E-02 5 HCO3- 0.1832100E+00 0.2296005E-02 0.0000000E+00 0.1809140E+00 6 HS- 0.9985820E-02 0.3121763E-03 0.5577712E-07 0.9673588E-02 7 H4SiO4 0.7855346E-02 0.1547663E-02 0.6307682E-02 0.0000000E+00 8 Al+++ 0.2253680E-05 0.2579488E-06 0.1995731E-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 0.0000000E+00 0.0000000E+00 11 Fe++ 0.8017372E-08 0.1071898E-12 0.8017265E-08 0.0000000E+00 12 K+ 0.3715700E-02 0.3713704E-02 0.1995731E-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 0.0000000E+00 0.0000000E+00 15 Zn++ 0.1530000E-07 0.1459811E-08 0.1384019E-07 0.0000000E+00 16 Cu+ 0.6237410E-07 0.2228778E-07 0.4008632E-07 0.0000000E+00 17 Pb++ 0.1110000E-07 0.2299697E-09 0.1087003E-07 0.0000000E+00 18 Hg++ 0.4000000E-08 0.3368857E-11 0.0000000E+00 0.3996631E-08 19 F- 0.2439100E-03 0.2439005E-03 0.0000000E+00 0.9486943E-08 Chg. balance for solid moles: 0.2696E-16 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 0.8585E-13 -13.066 0.2878E-13 0.1102E-10 HF,gas 0.9487E-08 -8.023 0.1897E-06 -6.722 0.6361E-07 0.7801E-04 HCl,gas 0.3683E-10 -10.434 0.1343E-08 -8.872 0.4502E-09 0.3029E-06 Hg,gas 0.3997E-08 -8.398 0.8017E-06 -6.096 0.2688E-06 0.3286E-04 microcline 0.1996E-05 -5.700 0.5555E-03 -3.255 0.1465 0.2170E-03 quartz 0.6302E-02 -2.201 0.3786 -0.422 99.85 0.1430 bornite 0.8017E-08 -8.096 0.4023E-05 -5.395 0.1061E-02 0.7915E-06 galena 0.1087E-07 -7.964 0.2601E-05 -5.585 0.6859E-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 0.8219E-16 0.3483E-15 1.0000 -15.458 HF,gas 0.5818E-09 0.2466E-08 1.0000 -8.608 HCl,gas 0.2259E-11 0.9575E-11 1.0000 -11.019 Hg,gas 0.2451E-09 0.1039E-08 1.0000 -8.983 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: 29.420638 % Solid products produced: Mass = 0.379169 g Volume = 0.143196 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 0.65145E-11 2 CO2,gas -8.10 -8.10 0.00 0.000 -0.34070E-11 3 CH4,gas 3.57 3.57 0.00 0.000 -0.68140E-11 4 H2,gas 6.09 6.09 0.00 0.000 0.00000E+00 5 H2S,gas -7.43 -7.43 0.00 0.000 0.00000E+00 6 CO,gas 0.91 0.91 -0.00 -0.000 0.23423E-11 7 SO2,gas -2.29 -2.29 0.00 0.000 -0.51105E-11 8 HF,gas -1.75 -1.75 0.00 0.000 -0.59622E-11 9 HCl,gas 2.77 2.77 0.00 0.000 -0.42587E-11 10 Hg,gas -11.46 -11.46 -0.00 -0.000 0.68140E-11 112 microcline -3.37 -3.37 -0.00 -0.000 0.10221E-10 143 quartz -2.69 -2.69 -0.00 -0.000 0.85175E-12 196 bornite -80.18 -80.18 0.00 0.000 -0.27256E-10 247 galena -11.16 -11.16 -0.00 -0.000 0.68140E-11 258 sphalerite -10.08 -10.08 -0.00 -0.000 0.68140E-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 -0.79 -2.48 -1.69 -0.130 0.32372E+04 16 albite -1.65 -2.48 -0.83 -0.064 0.15834E+04 20 analcite 1.74 0.21 -1.53 -0.170 0.29368E+04 21 andalusite 1.39 -3.29 -4.67 -0.467 0.89608E+04 23 grossular 25.78 21.17 -4.61 -0.230 0.88399E+04 24 anhydrite -6.17 -10.92 -4.75 -2.375 0.91121E+04 27 phlogopite 21.67 19.91 -1.75 -0.097 0.33613E+04 29 anorthite 7.90 3.97 -3.93 -0.302 0.75337E+04 32 aragonite 0.33 -0.12 -0.45 -0.149 0.85495E+03 33 brucite 10.92 7.76 -3.16 -0.631 0.60524E+04 34 calcite 0.17 -0.12 -0.29 -0.097 0.55531E+03 35 carnegieite-low 6.80 2.89 -3.91 -0.558 0.74950E+04 36 carnegieite-high 7.66 2.89 -4.77 -0.681 0.91482E+04 37 carpholite-Mg 4.61 1.79 -2.82 -0.188 0.54150E+04 39 celadonite 3.47 1.70 -1.77 -0.104 0.33925E+04 41 chrysotile 20.26 17.91 -2.34 -0.195 0.44902E+04 43 chlorite-Al-free 40.01 35.83 -4.18 -0.174 0.80221E+04 44 chloritoid-Mg 8.50 4.48 -4.02 -0.268 0.77108E+04 48 coesite -2.13 -2.69 -0.56 -0.186 0.10675E+04 55 cristobalite -2.34 -2.69 -0.34 -0.114 0.65599E+03 58 cymrite-K 0.41 -3.37 -3.78 -0.315 0.72564E+04 60 diaspore 1.23 -0.30 -1.53 -0.255 0.29312E+04 61 diamond -2.55 -5.09 -2.53 -0.723 0.48549E+04 62 diopside 13.71 12.33 -1.38 -0.138 0.26493E+04 64 dolomite,ordered -0.87 -2.42 -1.54 -0.257 0.29622E+04 66 enstatite 14.31 10.15 -4.16 -0.416 0.79736E+04 68 clinoenstatite 14.22 10.15 -4.07 -0.407 0.78090E+04 69 protoenstatite 14.78 10.15 -4.63 -0.463 0.88764E+04 71 clinozoisite 15.47 10.93 -4.55 -0.207 0.87211E+04 75 forsterite 17.65 12.84 -4.81 -0.688 0.92336E+04 78 gibbsite 2.47 -0.30 -2.77 -0.395 0.53064E+04 79 glaucophane 17.00 12.96 -4.04 -0.109 0.77524E+04 82 graphite -2.97 -5.09 -2.11 -0.604 0.40512E+04 85 halite 1.45 -3.00 -4.45 -2.227 0.85421E+04 87 heulandite -8.19 -9.46 -1.27 -0.058 0.24445E+04 91 jadeite 2.66 0.21 -2.45 -0.245 0.47014E+04 93 kalsilite 5.61 2.00 -3.61 -0.516 0.69308E+04 94 kaolinite -3.72 -5.97 -2.25 -0.205 0.43213E+04 95 kyanite 1.33 -3.29 -4.62 -0.462 0.88589E+04 97 laumontite -0.14 -1.40 -1.27 -0.084 0.24281E+04 98 lawsonite 5.93 3.97 -1.96 -0.131 0.37592E+04 99 leucite 2.39 -0.69 -3.08 -0.308 0.58994E+04 101 lizardite 19.75 17.91 -1.83 -0.153 0.35173E+04 102 magnesite -0.20 -2.30 -2.09 -0.698 0.40155E+04 105 minnesotaite-Mg 17.04 12.54 -4.50 -0.265 0.86325E+04 116 muscovite -1.59 -3.97 -2.38 -0.140 0.45667E+04 117 paragonite -0.22 -3.08 -2.86 -0.168 0.54833E+04 118 nepheline 6.18 2.89 -3.28 -0.469 0.62951E+04 130 phlogopite-Na 23.82 20.81 -3.01 -0.167 0.57722E+04 132 prehnite 14.05 11.22 -2.82 -0.166 0.54123E+04 138 pyrite -20.19 -23.45 -3.26 -0.767 0.62524E+04 140 pyrrhotiteFe0.875 -6.20 -10.46 -4.26 -1.566 0.81670E+04 141 pyroxmangite 6.26 2.51 -3.75 -0.749 0.71833E+04 142 pyrophyllite -8.30 -11.35 -3.04 -0.190 0.58369E+04 148 rhodochrosite -1.48 -4.86 -3.38 -1.127 0.64822E+04 149 rhodonite 6.29 2.51 -3.78 -0.756 0.72504E+04 150 sanidine -2.29 -3.37 -1.08 -0.083 0.20678E+04 153 sillimanite 1.60 -3.29 -4.89 -0.489 0.93775E+04 160 stilbite -8.83 -9.46 -0.64 -0.030 0.12213E+04 162 stilpnomelane-Mg 19.94 19.21 -0.73 -0.022 0.13954E+04 166 sulfur -8.80 -13.40 -4.61 -1.417 0.88356E+04 168 talc 13.41 12.54 -0.87 -0.051 0.16734E+04 175 topaz-H 1.47 -3.29 -4.76 -0.432 0.91222E+04 176 tridymite -2.39 -2.69 -0.30 -0.099 0.56948E+03 177 tremolite 39.91 37.20 -2.71 -0.073 0.52009E+04 185 wairakite 0.39 -1.40 -1.79 -0.106 0.34414E+04 186 walstromite 10.04 7.25 -2.79 -0.557 0.53455E+04 187 wollastonite 9.11 7.25 -1.86 -0.372 0.35652E+04 188 pseudo-wollastonite 9.56 7.25 -2.31 -0.462 0.44295E+04 189 zoisite 15.52 10.93 -4.59 -0.209 0.88077E+04 191 beidellite-Ca -4.82 -8.92 -4.10 -0.253 0.78585E+04 193 beidellite-K -4.51 -8.91 -4.40 -0.270 0.84445E+04 194 beidellite-Mg -5.00 -9.28 -4.28 -0.265 0.82008E+04 195 beidellite-Na -4.39 -8.62 -4.23 -0.259 0.81107E+04 198 chalcedony -2.52 -2.69 -0.17 -0.055 0.31927E+03 199 chalcocite -24.81 -25.37 -0.56 -0.139 0.10681E+04 200 covellite -17.98 -19.39 -1.41 -0.535 0.26958E+04 201 dawsonite 0.50 -4.48 -4.98 -0.622 0.95483E+04 202 montmorillonite-Ca -4.58 -7.04 -2.47 -0.153 0.47329E+04 203 montmorillonite-K -4.35 -7.04 -2.69 -0.165 0.51572E+04 204 montmorillonite-Mg -4.80 -7.40 -2.61 -0.161 0.50008E+04 205 montmorillonite-Na -4.19 -6.74 -2.55 -0.156 0.48946E+04 227 tobermorite 9.16 5.59 -3.57 -0.973 0.68389E+04 233 alabandite -1.61 -5.72 -4.10 -1.368 0.78704E+04 238 boehmite 2.50 -0.30 -2.80 -0.467 0.53684E+04 240 chalcopyrite -26.60 -29.43 -2.83 -0.526 0.54238E+04 243 copper,native -2.28 -5.98 -3.71 -1.289 0.71073E+04 244 dolomite,disordered -0.31 -2.42 -2.10 -0.351 0.40342E+04 246 fluorite -10.23 -12.02 -1.79 -0.596 0.34321E+04 255 silica-amorphous -1.94 -2.69 -0.75 -0.250 0.14361E+04 259 wurtzite -8.45 -10.08 -1.63 -0.544 0.31294E+04 261 an20ab80 0.04 -1.19 -1.23 -0.094 0.23560E+04 262 an25ab75 0.49 -0.87 -1.36 -0.104 0.26021E+04 263 an30ab70 0.95 -0.54 -1.49 -0.115 0.28592E+04 Calculations done for 146.0000 Deg. C; 4.2383 bar Enthalpies: Pure water 2.6568 kcal/mole H2O,gas 11.8598 kcal/mole CO2,gas 1.4646 kcal/mole CH4,gas 1.4185 kcal/mole Current solution 105.1498 Gas 191.3808 kcal Total current enthalpy 296.5306 kcal Starting enthalpy 296.5306 kcal Temperature changed by -2.000 degrees to 144.000 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 = 144.00 C Pressure = 4.01 bar Mixer fraction = 0.0000000 Total current enthalpy = 296.5306 KCAL Water: Moles liquid = 0.3940E+02 kg liquid = 0.7097E+00 Moles total = 0.5551E+02 kg total = 0.1000E+01 Activity = 1.0000 Stoichiometric ionic strength = .4723635E-01 Osmotic coef. = 0.9283 True ionic strength = .4648319E-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+ 0.51337E-07 -7.2896 0.39454E-07 -7.4039 0.76852E+00 -0.1143 2 H2O 0.99999E+00 -0.0000 0.99999E+00 -0.0000 3 Cl- 0.42701E-01 -1.3696 0.32440E-01 -1.4889 0.75971E+00 -0.1194 4 SO4-- 0.24356E-05 -5.6134 0.87469E-06 -6.0581 0.35913E+00 -0.4448 5 HCO3- 0.28150E-02 -2.5505 0.21472E-02 -2.6681 0.76278E+00 -0.1176 6 HS- 0.38538E-03 -3.4141 0.29290E-03 -3.5333 0.76003E+00 -0.1192 7 H4SiO4 0.20009E-02 -2.6988 0.20009E-02 -2.6988 0.10000E+01 0.0000 8 Al+++ 0.35131E-21 -21.4543 0.34704E-22 -22.4596 0.98784E-01 -1.0053 9 Ca++ 0.41947E-04 -4.3773 0.14802E-04 -4.8297 0.35287E+00 -0.4524 10 Mg++ 0.28132E-06 -6.5508 0.98089E-07 -7.0084 0.34867E+00 -0.4576 11 Fe++ 0.24695E-13 -13.6074 0.86357E-14 -14.0637 0.34969E+00 -0.4563 12 K+ 0.52257E-02 -2.2819 0.39895E-02 -2.3991 0.76345E+00 -0.1172 13 Na+ 0.41112E-01 -1.3860 0.31229E-01 -1.5054 0.75960E+00 -0.1194 14 Mn++ 0.74300E-09 -9.1290 0.26039E-09 -9.5844 0.35045E+00 -0.4554 15 Zn++ 0.31419E-13 -13.5028 0.10987E-13 -13.9591 0.34969E+00 -0.4563 16 Cu+ 0.29181E-14 -14.5349 0.22163E-14 -14.6544 0.75949E+00 -0.1195 17 Pb++ 0.24267E-14 -14.6150 0.86282E-15 -15.0641 0.35555E+00 -0.4491 18 Hg++ 0.10747E-37 -37.9687 0.38074E-38 -38.4194 0.35428E+00 -0.4507 19 F- 0.33987E-03 -3.4687 0.25648E-03 -3.5909 0.75466E+00 -0.1222 21 HSiO3- 0.89176E-04 -4.0498 0.67747E-04 -4.1691 0.75971E+00 -0.1194 22 Ca(HSiO3)+ 0.66825E-07 -7.1751 0.51045E-07 -7.2920 0.76387E+00 -0.1170 23 Mg(HSiO3)+ 0.46066E-09 -9.3366 0.35188E-09 -9.4536 0.76387E+00 -0.1170 24 NaHSiO3,aq 0.24360E-04 -4.6133 0.24360E-04 -4.6133 0.10000E+01 0.0000 27 HAlO2,aq 0.15304E-08 -8.8152 0.15304E-08 -8.8152 0.10000E+01 0.0000 28 AlO2- 0.33504E-06 -6.4749 0.25308E-06 -6.5967 0.75538E+00 -0.1218 29 CH4,aq 0.70117E-06 -6.1542 0.69110E-06 -6.1605 0.98563E+00 -0.0063 34 CO,aq 0.10860E-10 -10.9642 0.10860E-10 -10.9642 0.10000E+01 0.0000 35 CO2,aq 0.35427E-03 -3.4507 0.34918E-03 -3.4570 0.98563E+00 -0.0063 36 CO3-2 0.10131E-04 -4.9944 0.36190E-05 -5.4414 0.35723E+00 -0.4471 37 CaCO3,aq 0.22940E-05 -5.6394 0.22940E-05 -5.6394 0.10000E+01 0.0000 38 Ca(HCO3)+ 0.25661E-05 -5.5907 0.19602E-05 -5.7077 0.76387E+00 -0.1170 39 CaCl+ 0.26323E-05 -5.5797 0.20107E-05 -5.6966 0.76387E+00 -0.1170 40 CaCl2,aq 0.17212E-07 -7.7642 0.17212E-07 -7.7642 0.10000E+01 0.0000 41 CaF+ 0.19232E-06 -6.7160 0.14691E-06 -6.8330 0.76387E+00 -0.1170 42 CaOH+ 0.45312E-06 -6.3438 0.34613E-06 -6.4608 0.76387E+00 -0.1170 43 CaSO4,aq 0.93023E-08 -8.0314 0.93023E-08 -8.0314 0.10000E+01 0.0000 44 HCl,aq 0.35772E-09 -9.4465 0.35772E-09 -9.4465 0.10000E+01 0.0000 61 HF,aq 0.19190E-06 -6.7169 0.19190E-06 -6.7169 0.10000E+01 0.0000 62 HF2- 0.22658E-10 -10.6448 0.17213E-10 -10.7641 0.75971E+00 -0.1194 76 H2,aq 0.98830E-06 -6.0051 0.97409E-06 -6.0114 0.98563E+00 -0.0063 90 KCl,aq 0.63263E-05 -5.1988 0.63263E-05 -5.1988 0.10000E+01 0.0000 92 KOH,aq 0.23488E-06 -6.6291 0.23488E-06 -6.6291 0.10000E+01 0.0000 93 KSO4- 0.13810E-06 -6.8598 0.10492E-06 -6.9791 0.75971E+00 -0.1194 94 MgCO3,aq 0.28925E-08 -8.5387 0.28925E-08 -8.5387 0.10000E+01 0.0000 95 Mg(HCO3)+ 0.17224E-07 -7.7639 0.13157E-07 -7.8808 0.76387E+00 -0.1170 96 MgCl+ 0.12821E-07 -7.8921 0.97939E-08 -8.0090 0.76387E+00 -0.1170 97 MgF+ 0.42657E-08 -8.3700 0.32585E-08 -8.4870 0.76387E+00 -0.1170 98 MgOH+ 0.12649E-07 -7.8979 0.96625E-08 -8.0149 0.76387E+00 -0.1170 102 MnOH+ 0.18481E-09 -9.7333 0.14117E-09 -9.8502 0.76387E+00 -0.1170 107 MnCl+ 0.27047E-09 -9.5679 0.20660E-09 -9.6849 0.76387E+00 -0.1170 109 NaCl,aq 0.57311E-03 -3.2418 0.57311E-03 -3.2418 0.10000E+01 0.0000 110 NaF,aq 0.33879E-05 -5.4701 0.33879E-05 -5.4701 0.10000E+01 0.0000 111 NaOH,aq 0.15235E-05 -5.8172 0.15235E-05 -5.8172 0.10000E+01 0.0000 113 OH- 0.68669E-04 -4.1632 0.51871E-04 -4.2851 0.75538E+00 -0.1218 124 Pb(HS)2,aq 0.23367E-09 -9.6314 0.23367E-09 -9.6314 0.10000E+01 0.0000 126 H2S,aq 0.40375E-04 -4.3939 0.39794E-04 -4.4002 0.98563E+00 -0.0063 127 S2-2 0.59405E-10 -10.2262 0.21221E-10 -10.6732 0.35723E+00 -0.4471 135 HSO4- 0.19477E-09 -9.7105 0.14912E-09 -9.8265 0.76562E+00 -0.1160 154 ZnOH+ 0.27185E-10 -10.5657 0.20766E-10 -10.6827 0.76387E+00 -0.1170 164 Cu(HS)2- 0.30491E-07 -7.5158 0.23164E-07 -7.6352 0.75971E+00 -0.1194 166 CuH4S3-b 0.90999E-09 -9.0410 0.69133E-09 -9.1603 0.75971E+00 -0.1194 179 MgSO4,aq 0.24026E-09 -9.6193 0.24026E-09 -9.6193 0.10000E+01 0.0000 180 MnCl2,aq 0.26661E-10 -10.5741 0.26661E-10 -10.5741 0.10000E+01 0.0000 182 MnCO3,aq 0.26211E-08 -8.5815 0.26211E-08 -8.5815 0.10000E+01 0.0000 183 NaCO3- 0.31968E-05 -5.4953 0.24286E-05 -5.6146 0.75971E+00 -0.1194 184 NaHCO3,aq 0.29115E-04 -4.5359 0.29115E-04 -4.5359 0.10000E+01 0.0000 185 NaHS,aq 0.39714E-05 -5.4011 0.39714E-05 -5.4011 0.10000E+01 0.0000 186 NaSO4- 0.44934E-06 -6.3474 0.34137E-06 -6.4668 0.75971E+00 -0.1194 187 PbCO3,aq 0.54589E-10 -10.2629 0.54589E-10 -10.2629 0.10000E+01 0.0000 193 Zn(HS)2,aq 0.18089E-08 -8.7426 0.18089E-08 -8.7426 0.10000E+01 0.0000 194 Zn(HS)3- 0.54197E-10 -10.2660 0.41173E-10 -10.3854 0.75971E+00 -0.1194 Charge balance for all species = 0.3384E-07 Component Molality Aq.molality ppm log[A(N)/A(H+)**Z] (total) 1 H+ 0.5133716E-07 0.1931743E-03 0.1941039E+00 0.0000 2 H2O 0.1000000E+01 0.5550786E+02 0.9968880E+06 0.0000 3 Cl- 0.4270102E-01 0.4328313E-01 0.1529756E+04 5.9150 4 SO4-- 0.2435600E-05 0.2084548E-05 0.1996237E+00 8.7497 5 HCO3- 0.2814995E-02 0.3217291E-02 0.1957010E+03 4.7358 6 HS- 0.3853758E-03 0.4307383E-03 0.1420118E+02 3.8706 7 H4SiO4 0.2000917E-02 0.2114519E-02 0.2026073E+03 -2.6988 8 Al+++ 0.3513073E-21 0.3365722E-06 0.9053047E-02 -0.2479 9 Ca++ 0.4194710E-04 0.5017829E-04 0.2004806E+01 9.9781 10 Mg++ 0.2813237E-06 0.3318782E-06 0.8043587E-02 7.7994 11 Fe++ 0.2469547E-13 0.1003776E-12 0.5588394E-08 0.7441 12 K+ 0.5225691E-02 0.5232391E-02 0.2039621E+03 5.0048 13 Na+ 0.4111226E-01 0.4175137E-01 0.9568774E+03 5.8985 14 Mn++ 0.7430022E-09 0.3861115E-08 0.2114638E-03 5.2234 15 Zn++ 0.3141939E-13 0.1892660E-08 0.1233393E-03 0.8487 16 Cu+ 0.2918087E-14 0.3140207E-07 0.1989097E-02 -7.2505 17 Pb++ 0.2426702E-14 0.2913344E-09 0.6017429E-04 -0.2563 18 Hg++ 0.1074691E-37 0.4594461E-11 0.9187435E-06 -23.6115 19 F- 0.3398676E-03 0.3436441E-03 0.6508295E+01 3.8130 Component Tot moles Aq. moles Solid moles Gas moles 1 H+ 0.1822172E+00 0.1371053E-03 -.8107093E-05 0.1820882E+00 2 H2O 0.5550825E+02 0.3939666E+02 -.1270511E-01 0.1612430E+02 3 Cl- 0.3072017E-01 0.3072017E-01 0.0000000E+00 0.3365737E-10 4 SO4-- -.4257700E-02 0.1479506E-05 0.1002163E-08 -.4259180E-02 5 HCO3- 0.1832100E+00 0.2283470E-02 0.0000000E+00 0.1809265E+00 6 HS- 0.9985820E-02 0.3057162E-03 0.5591695E-07 0.9680048E-02 7 H4SiO4 0.7855346E-02 0.1500779E-02 0.6354567E-02 0.0000000E+00 8 Al+++ 0.2253680E-05 0.2388819E-06 0.2014798E-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 0.0000000E+00 0.0000000E+00 11 Fe++ 0.8017372E-08 0.7124292E-13 0.8017301E-08 0.0000000E+00 12 K+ 0.3715700E-02 0.3713685E-02 0.2014798E-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 0.0000000E+00 0.0000000E+00 15 Zn++ 0.1530000E-07 0.1343314E-08 0.1395669E-07 0.0000000E+00 16 Cu+ 0.6237410E-07 0.2228760E-07 0.4008650E-07 0.0000000E+00 17 Pb++ 0.1110000E-07 0.2067744E-09 0.1089323E-07 0.0000000E+00 18 Hg++ 0.4000000E-08 0.3260915E-11 0.0000000E+00 0.3996739E-08 19 F- 0.2439100E-03 0.2439012E-03 0.0000000E+00 0.8843054E-08 Chg. balance for solid moles: -.3074E-16 Mass of aqueous solution: 0.711958E+03 g Temperature = 144.00 C Pressure = 4.01 bar Mixer frac. = 0.0000000 Log Log Vol Gas or mineral Moles Moles Grams Grams Wt.% (cm3) H2O,gas 16.29 1.212 293.5 2.468 97.33 0.1356E+06 CO2,gas 0.1777 -0.750 7.819 0.893 2.593 1562. CH4,gas 0.3268E-02 -2.486 0.5243E-01 -1.280 0.1739E-01 29.22 H2,gas 0.3963E-02 -2.402 0.8005E-02 -2.097 0.2655E-02 34.34 H2S,gas 0.5421E-02 -2.266 0.1847 -0.733 0.6127E-01 46.34 CO,gas 0.4881E-07 -7.311 0.1367E-05 -5.864 0.4534E-06 0.4221E-03 SO2,gas 0.1164E-14 -14.934 0.7458E-13 -13.127 0.2473E-13 0.1007E-10 HF,gas 0.8843E-08 -8.053 0.1769E-06 -6.752 0.5865E-07 0.7647E-04 HCl,gas 0.3366E-10 -10.473 0.1227E-08 -8.911 0.4070E-09 0.2911E-06 Hg,gas 0.3997E-08 -8.398 0.8017E-06 -6.096 0.2659E-06 0.3456E-04 microcline 0.2015E-05 -5.696 0.5608E-03 -3.251 0.1468 0.2191E-03 quartz 0.6349E-02 -2.197 0.3814 -0.419 99.85 0.1440 bornite 0.8017E-08 -8.096 0.4023E-05 -5.395 0.1053E-02 0.7915E-06 galena 0.1089E-07 -7.963 0.2606E-05 -5.584 0.6823E-03 0.3430E-06 sphalerite 0.1396E-07 -7.855 0.1360E-05 -5.867 0.3560E-03 0.3326E-06 Partial press. Fugacity coef Log fugacity Gas or Mineral Mole fraction or activity Activity coef Log activity H2O,gas 0.9885E+00 0.3964E+01 0.9635 0.582 CO2,gas 0.1078E-01 0.4322E-01 1.0148 -1.358 CH4,gas 0.1983E-03 0.7952E-03 1.0332 -3.085 H2,gas 0.2404E-03 0.9641E-03 1.0019 -3.015 H2S,gas 0.3288E-03 0.1319E-02 0.9886 -2.885 CO,gas 0.2961E-08 0.1188E-07 1.0000 -7.925 SO2,gas 0.7063E-16 0.2833E-15 1.0000 -15.548 HF,gas 0.5364E-09 0.2151E-08 1.0000 -8.667 HCl,gas 0.2042E-11 0.8188E-11 1.0000 -11.087 Hg,gas 0.2424E-09 0.9724E-09 1.0000 -9.012 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: 29.740627 % Solid products produced: Mass = 0.381988 g Volume = 0.144261 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 -0.26490E-12 2 CO2,gas -8.11 -8.11 0.00 0.000 0.00000E+00 3 CH4,gas 3.55 3.55 -0.00 -0.000 0.16954E-11 4 H2,gas 6.10 6.10 -0.00 -0.000 0.33907E-11 5 H2S,gas -7.45 -7.45 0.00 0.000 0.00000E+00 6 CO,gas 0.94 0.94 -0.00 -0.000 0.84768E-12 7 SO2,gas -2.23 -2.23 0.00 0.000 -0.50861E-11 8 HF,gas -1.72 -1.72 0.00 0.000 -0.16954E-11 9 HCl,gas 2.80 2.80 0.00 0.000 -0.84768E-12 10 Hg,gas -11.51 -11.51 -0.00 -0.000 0.13563E-10 112 microcline -3.34 -3.34 -0.00 -0.000 0.20344E-10 143 quartz -2.70 -2.70 0.00 0.000 0.00000E+00 196 bornite -80.50 -80.50 0.00 0.000 0.00000E+00 247 galena -11.19 -11.19 -0.00 -0.000 0.67815E-11 258 sphalerite -10.09 -10.09 -0.00 -0.000 0.67815E-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 -0.74 -2.45 -1.71 -0.132 0.32648E+04 16 albite -1.61 -2.45 -0.84 -0.065 0.16030E+04 20 analcite 1.80 0.25 -1.55 -0.172 0.29497E+04 21 andalusite 1.53 -3.19 -4.72 -0.472 0.90124E+04 23 grossular 26.04 21.34 -4.70 -0.235 0.89749E+04 24 anhydrite -6.13 -10.89 -4.75 -2.376 0.90724E+04 27 phlogopite 21.87 20.06 -1.81 -0.101 0.34638E+04 29 anorthite 8.08 4.08 -4.00 -0.308 0.76325E+04 32 aragonite 0.35 -0.09 -0.45 -0.149 0.85517E+03 33 brucite 10.98 7.80 -3.18 -0.636 0.60736E+04 34 calcite 0.20 -0.09 -0.29 -0.097 0.55676E+03 35 carnegieite-low 6.89 2.95 -3.94 -0.562 0.75119E+04 36 carnegieite-high 7.76 2.95 -4.81 -0.686 0.91726E+04 37 carpholite-Mg 4.77 1.91 -2.86 -0.191 0.54595E+04 39 celadonite 3.54 1.76 -1.78 -0.105 0.34003E+04 41 chrysotile 20.39 18.00 -2.39 -0.199 0.45668E+04 43 chlorite-Al-free 40.28 36.00 -4.28 -0.178 0.81705E+04 44 chloritoid-Mg 8.68 4.60 -4.07 -0.272 0.77764E+04 48 coesite -2.14 -2.70 -0.56 -0.186 0.10669E+04 55 cristobalite -2.35 -2.70 -0.35 -0.115 0.65875E+03 58 cymrite-K 0.46 -3.34 -3.80 -0.317 0.72504E+04 60 diaspore 1.29 -0.25 -1.54 -0.257 0.29409E+04 61 diamond -2.57 -5.11 -2.53 -0.724 0.48348E+04 62 diopside 13.81 12.38 -1.43 -0.143 0.27230E+04 64 dolomite,ordered -0.81 -2.37 -1.55 -0.259 0.29654E+04 66 enstatite 14.42 10.20 -4.22 -0.422 0.80560E+04 68 clinoenstatite 14.34 10.20 -4.13 -0.413 0.78914E+04 69 protoenstatite 14.90 10.20 -4.69 -0.469 0.89610E+04 71 clinozoisite 15.76 11.12 -4.64 -0.211 0.88562E+04 75 forsterite 17.78 12.90 -4.88 -0.697 0.93176E+04 78 gibbsite 2.53 -0.25 -2.78 -0.397 0.53015E+04 79 glaucophane 17.22 13.11 -4.12 -0.111 0.78548E+04 82 graphite -2.99 -5.11 -2.11 -0.604 0.40330E+04 85 halite 1.46 -2.99 -4.46 -2.228 0.85038E+04 87 heulandite -8.10 -9.41 -1.31 -0.059 0.24942E+04 91 jadeite 2.72 0.25 -2.47 -0.247 0.47058E+04 93 kalsilite 5.69 2.06 -3.63 -0.519 0.69333E+04 94 kaolinite -3.63 -5.89 -2.27 -0.206 0.43245E+04 95 kyanite 1.47 -3.19 -4.67 -0.467 0.89059E+04 97 laumontite -0.02 -1.31 -1.29 -0.086 0.24616E+04 98 lawsonite 6.07 4.08 -1.99 -0.132 0.37929E+04 99 leucite 2.46 -0.64 -3.10 -0.310 0.59109E+04 101 lizardite 19.88 18.00 -1.88 -0.157 0.35876E+04 102 magnesite -0.17 -2.27 -2.10 -0.702 0.40179E+04 105 minnesotaite-Mg 17.18 12.60 -4.57 -0.269 0.87286E+04 116 muscovite -1.43 -3.84 -2.41 -0.142 0.45926E+04 117 paragonite -0.05 -2.94 -2.89 -0.170 0.55246E+04 118 nepheline 6.26 2.95 -3.31 -0.472 0.63133E+04 130 phlogopite-Na 24.04 20.95 -3.09 -0.172 0.58938E+04 132 prehnite 14.25 11.36 -2.89 -0.170 0.55116E+04 138 pyrite -20.22 -23.61 -3.39 -0.797 0.64676E+04 140 pyrrhotiteFe0.875 -6.19 -10.59 -4.40 -1.618 0.83979E+04 141 pyroxmangite 6.30 2.52 -3.78 -0.755 0.72086E+04 142 pyrophyllite -8.22 -11.29 -3.07 -0.192 0.58600E+04 148 rhodochrosite -1.46 -4.85 -3.39 -1.130 0.64684E+04 149 rhodonite 6.34 2.52 -3.81 -0.762 0.72762E+04 150 sanidine -2.26 -3.34 -1.08 -0.083 0.20677E+04 153 sillimanite 1.75 -3.19 -4.94 -0.494 0.94303E+04 160 stilbite -8.78 -9.41 -0.63 -0.030 0.11985E+04 162 stilpnomelane-Mg 20.22 19.41 -0.81 -0.024 0.15485E+04 166 sulfur -8.81 -13.42 -4.61 -1.419 0.88026E+04 168 talc 13.53 12.60 -0.93 -0.054 0.17675E+04 175 topaz-H 1.59 -3.19 -4.79 -0.435 0.91383E+04 176 tridymite -2.40 -2.70 -0.30 -0.100 0.57151E+03 177 tremolite 40.22 37.36 -2.85 -0.077 0.54457E+04 185 wairakite 0.53 -1.31 -1.84 -0.108 0.35099E+04 186 walstromite 10.10 7.28 -2.82 -0.564 0.53810E+04 187 wollastonite 9.17 7.28 -1.89 -0.377 0.36003E+04 188 pseudo-wollastonite 9.62 7.28 -2.34 -0.468 0.44669E+04 189 zoisite 15.80 11.12 -4.68 -0.213 0.89424E+04 191 beidellite-Ca -4.70 -8.84 -4.14 -0.256 0.78982E+04 193 beidellite-K -4.39 -8.83 -4.44 -0.272 0.84680E+04 194 beidellite-Mg -4.88 -9.20 -4.32 -0.267 0.82417E+04 195 beidellite-Na -4.27 -8.54 -4.26 -0.261 0.81396E+04 198 chalcedony -2.53 -2.70 -0.17 -0.056 0.31919E+03 199 chalcocite -24.93 -25.44 -0.51 -0.127 0.96806E+03 200 covellite -18.05 -19.43 -1.37 -0.523 0.26224E+04 201 dawsonite 0.54 -4.42 -4.97 -0.621 0.94788E+04 202 montmorillonite-Ca -4.49 -6.99 -2.50 -0.155 0.47699E+04 203 montmorillonite-K -4.27 -6.98 -2.71 -0.166 0.51803E+04 204 montmorillonite-Mg -4.71 -7.35 -2.64 -0.163 0.50385E+04 205 montmorillonite-Na -4.11 -6.69 -2.58 -0.158 0.49210E+04 227 tobermorite 9.19 5.61 -3.57 -0.975 0.68183E+04 233 alabandite -1.59 -5.71 -4.13 -1.375 0.78763E+04 238 boehmite 2.57 -0.25 -2.82 -0.470 0.53857E+04 240 chalcopyrite -26.68 -29.62 -2.94 -0.548 0.56202E+04 243 copper,native -2.31 -6.01 -3.70 -1.288 0.70657E+04 244 dolomite,disordered -0.25 -2.37 -2.12 -0.353 0.40428E+04 246 fluorite -10.22 -12.01 -1.79 -0.598 0.34247E+04 255 silica-amorphous -1.94 -2.70 -0.75 -0.251 0.14398E+04 259 wurtzite -8.45 -10.09 -1.64 -0.547 0.31296E+04 261 an20ab80 0.11 -1.14 -1.25 -0.096 0.23934E+04 262 an25ab75 0.57 -0.81 -1.39 -0.107 0.26438E+04 263 an30ab70 1.04 -0.49 -1.52 -0.117 0.29050E+04 Calculations done for 144.0000 Deg. C; 4.0106 bar Enthalpies: Pure water 2.6192 kcal/mole H2O,gas 11.8492 kcal/mole CO2,gas 1.4383 kcal/mole CH4,gas 1.3926 kcal/mole Current solution 103.1904 Gas 193.3402 kcal Total current enthalpy 296.5306 kcal Starting enthalpy 296.5306 kcal Temperature changed by -2.000 degrees to 142.000 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 = 142.00 C Pressure = 3.79 bar Mixer fraction = 0.0000000 Total current enthalpy = 296.5306 KCAL Water: Moles liquid = 0.3922E+02 kg liquid = 0.7065E+00 Moles total = 0.5551E+02 kg total = 0.1000E+01 Activity = 1.0000 Stoichiometric ionic strength = .4743984E-01 Osmotic coef. = 0.9286 True ionic strength = .4670706E-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+ 0.49462E-07 -7.3057 0.38052E-07 -7.4196 0.76934E+00 -0.1139 2 H2O 0.99999E+00 -0.0000 0.99999E+00 -0.0000 3 Cl- 0.42907E-01 -1.3675 0.32631E-01 -1.4864 0.76051E+00 -0.1189 4 SO4-- 0.25986E-05 -5.5853 0.93700E-06 -6.0283 0.36058E+00 -0.4430 5 HCO3- 0.28344E-02 -2.5475 0.21642E-02 -2.6647 0.76356E+00 -0.1172 6 HS- 0.38084E-03 -3.4193 0.28975E-03 -3.5380 0.76083E+00 -0.1187 7 H4SiO4 0.19455E-02 -2.7110 0.19455E-02 -2.7110 0.10000E+01 0.0000 8 Al+++ 0.35187E-21 -21.4536 0.35085E-22 -22.4549 0.99712E-01 -1.0013 9 Ca++ 0.42307E-04 -4.3736 0.14991E-04 -4.8242 0.35434E+00 -0.4506 10 Mg++ 0.28401E-06 -6.5467 0.99450E-07 -7.0024 0.35016E+00 -0.4557 11 Fe++ 0.17015E-13 -13.7692 0.59750E-14 -14.2237 0.35117E+00 -0.4545 12 K+ 0.52498E-02 -2.2799 0.40119E-02 -2.3967 0.76420E+00 -0.1168 13 Na+ 0.41310E-01 -1.3839 0.31412E-01 -1.5029 0.76039E+00 -0.1190 14 Mn++ 0.72777E-09 -9.1380 0.25613E-09 -9.5915 0.35193E+00 -0.4535 15 Zn++ 0.29879E-13 -13.5246 0.10493E-13 -13.9791 0.35117E+00 -0.4545 16 Cu+ 0.26611E-14 -14.5749 0.20232E-14 -14.6940 0.76029E+00 -0.1190 17 Pb++ 0.21692E-14 -14.6637 0.77441E-15 -15.1110 0.35701E+00 -0.4473 18 Hg++ 0.88433E-38 -38.0534 0.31459E-38 -38.5023 0.35574E+00 -0.4489 19 F- 0.34151E-03 -3.4666 0.25802E-03 -3.5883 0.75554E+00 -0.1217 21 HSiO3- 0.88954E-04 -4.0508 0.67651E-04 -4.1697 0.76051E+00 -0.1189 22 Ca(HSiO3)+ 0.64905E-07 -7.1877 0.49628E-07 -7.3043 0.76462E+00 -0.1166 23 Mg(HSiO3)+ 0.45143E-09 -9.3454 0.34517E-09 -9.4620 0.76462E+00 -0.1166 24 NaHSiO3,aq 0.24725E-04 -4.6069 0.24725E-04 -4.6069 0.10000E+01 0.0000 27 HAlO2,aq 0.14371E-08 -8.8425 0.14371E-08 -8.8425 0.10000E+01 0.0000 28 AlO2- 0.31131E-06 -6.5068 0.23543E-06 -6.6281 0.75625E+00 -0.1213 29 CH4,aq 0.65134E-06 -6.1862 0.64195E-06 -6.1925 0.98559E+00 -0.0063 35 CO2,aq 0.33290E-03 -3.4777 0.32810E-03 -3.4840 0.98559E+00 -0.0063 36 CO3-2 0.10716E-04 -4.9700 0.38438E-05 -5.4152 0.35869E+00 -0.4453 37 CaCO3,aq 0.23287E-05 -5.6329 0.23287E-05 -5.6329 0.10000E+01 0.0000 38 Ca(HCO3)+ 0.25051E-05 -5.6012 0.19155E-05 -5.7177 0.76462E+00 -0.1166 39 CaCl+ 0.25597E-05 -5.5918 0.19572E-05 -5.7084 0.76462E+00 -0.1166 40 CaCl2,aq 0.16695E-07 -7.7774 0.16695E-07 -7.7774 0.10000E+01 0.0000 41 CaF+ 0.18674E-06 -6.7288 0.14278E-06 -6.8453 0.76462E+00 -0.1166 42 CaOH+ 0.42855E-06 -6.3680 0.32768E-06 -6.4846 0.76462E+00 -0.1166 43 CaSO4,aq 0.96934E-08 -8.0135 0.96934E-08 -8.0135 0.10000E+01 0.0000 44 HCl,aq 0.33806E-09 -9.4710 0.33806E-09 -9.4710 0.10000E+01 0.0000 61 HF,aq 0.17784E-06 -6.7500 0.17784E-06 -6.7500 0.10000E+01 0.0000 62 HF2- 0.21122E-10 -10.6753 0.16064E-10 -10.7942 0.76051E+00 -0.1189 76 H2,aq 0.89588E-06 -6.0478 0.88297E-06 -6.0541 0.98559E+00 -0.0063 90 KCl,aq 0.61296E-05 -5.2126 0.61296E-05 -5.2126 0.10000E+01 0.0000 92 KOH,aq 0.22927E-06 -6.6397 0.22927E-06 -6.6397 0.10000E+01 0.0000 93 KSO4- 0.14387E-06 -6.8420 0.10942E-06 -6.9609 0.76051E+00 -0.1189 94 MgCO3,aq 0.29748E-08 -8.5265 0.29748E-08 -8.5265 0.10000E+01 0.0000 95 Mg(HCO3)+ 0.16851E-07 -7.7734 0.12885E-07 -7.8899 0.76462E+00 -0.1166 96 MgCl+ 0.12592E-07 -7.8999 0.96282E-08 -8.0165 0.76462E+00 -0.1166 97 MgF+ 0.41645E-08 -8.3804 0.31843E-08 -8.4970 0.76462E+00 -0.1166 98 MgOH+ 0.12097E-07 -7.9173 0.92500E-08 -8.0339 0.76462E+00 -0.1166 102 MnOH+ 0.17383E-09 -9.7599 0.13291E-09 -9.8764 0.76462E+00 -0.1166 107 MnCl+ 0.25098E-09 -9.6004 0.19191E-09 -9.7169 0.76462E+00 -0.1166 109 NaCl,aq 0.56537E-03 -3.2477 0.56537E-03 -3.2477 0.10000E+01 0.0000 110 NaF,aq 0.33364E-05 -5.4767 0.33364E-05 -5.4767 0.10000E+01 0.0000 111 NaOH,aq 0.14985E-05 -5.8243 0.14985E-05 -5.8243 0.10000E+01 0.0000 113 OH- 0.67860E-04 -4.1684 0.51319E-04 -4.2897 0.75625E+00 -0.1213 124 Pb(HS)2,aq 0.21031E-09 -9.6771 0.21031E-09 -9.6771 0.10000E+01 0.0000 126 H2S,aq 0.38058E-04 -4.4196 0.37510E-04 -4.4259 0.98559E+00 -0.0063 127 S2-2 0.57730E-10 -10.2386 0.20707E-10 -10.6839 0.35869E+00 -0.4453 135 HSO4- 0.18802E-09 -9.7258 0.14409E-09 -9.8414 0.76637E+00 -0.1156 154 ZnOH+ 0.24292E-10 -10.6145 0.18574E-10 -10.7311 0.76462E+00 -0.1166 164 Cu(HS)2- 0.30564E-07 -7.5148 0.23244E-07 -7.6337 0.76051E+00 -0.1189 166 CuH4S3-b 0.98074E-09 -9.0084 0.74586E-09 -9.1273 0.76051E+00 -0.1189 179 MgSO4,aq 0.25058E-09 -9.6011 0.25058E-09 -9.6011 0.10000E+01 0.0000 180 MnCl2,aq 0.24012E-10 -10.6196 0.24012E-10 -10.6196 0.10000E+01 0.0000 182 MnCO3,aq 0.26884E-08 -8.5705 0.26884E-08 -8.5705 0.10000E+01 0.0000 183 NaCO3- 0.33412E-05 -5.4761 0.25410E-05 -5.5950 0.76051E+00 -0.1189 184 NaHCO3,aq 0.28994E-04 -4.5377 0.28994E-04 -4.5377 0.10000E+01 0.0000 185 NaHS,aq 0.38819E-05 -5.4110 0.38819E-05 -5.4110 0.10000E+01 0.0000 186 NaSO4- 0.47524E-06 -6.3231 0.36143E-06 -6.4420 0.76051E+00 -0.1189 187 PbCO3,aq 0.49899E-10 -10.3019 0.49899E-10 -10.3019 0.10000E+01 0.0000 193 Zn(HS)2,aq 0.16728E-08 -8.7766 0.16728E-08 -8.7766 0.10000E+01 0.0000 194 Zn(HS)3- 0.49234E-10 -10.3077 0.37443E-10 -10.4266 0.76051E+00 -0.1189 Charge balance for all species = 0.3400E-07 Component Molality Aq.molality ppm log[A(N)/A(H+)**Z] (total) 1 H+ 0.4946151E-07 0.1695465E-03 0.1703613E+00 0.0000 2 H2O 0.1000000E+01 0.5550788E+02 0.9968813E+06 0.0000 3 Cl- 0.4290666E-01 0.4348076E-01 0.1536730E+04 5.9332 4 SO4-- 0.2598583E-05 0.2352538E-05 0.2252858E+00 8.8110 5 HCO3- 0.2834378E-02 0.3215836E-02 0.1956111E+03 4.7549 6 HS- 0.3808378E-03 0.4237214E-03 0.1396973E+02 3.8816 7 H4SiO4 0.1945535E-02 0.2059279E-02 0.1973129E+03 -2.7110 8 Al+++ 0.3518676E-21 0.3127509E-06 0.8412247E-02 -0.1960 9 Ca++ 0.4230726E-04 0.5040741E-04 0.2013946E+01 10.0151 10 Mg++ 0.2840113E-06 0.3333936E-06 0.8080258E-02 7.8368 11 Fe++ 0.1701451E-13 0.6688250E-13 0.3723571E-08 0.6156 12 K+ 0.5249754E-02 0.5256257E-02 0.2048910E+03 5.0230 13 Na+ 0.4131039E-01 0.4194201E-01 0.9612398E+03 5.9167 14 Mn++ 0.7277690E-09 0.3878746E-08 0.2124279E-03 5.2477 15 Zn++ 0.2987922E-13 0.1748444E-08 0.1139403E-03 0.8601 16 Cu+ 0.2661096E-14 0.3154529E-07 0.1998154E-02 -7.2743 17 Pb++ 0.2169178E-14 0.2629234E-09 0.5430569E-04 -0.2718 18 Hg++ 0.8843345E-38 0.4466169E-11 0.8930828E-06 -23.6630 19 F- 0.3415089E-03 0.3452141E-03 0.6537982E+01 3.8313 Component Tot moles Aq. moles Solid moles Gas moles 1 H+ 0.1822172E+00 0.1197886E-03 -.8178886E-05 0.1821056E+00 2 H2O 0.5550825E+02 0.3921760E+02 -.1279677E-01 0.1630345E+02 3 Cl- 0.3072017E-01 0.3072017E-01 0.0000000E+00 0.3072345E-10 4 SO4-- -.4257700E-02 0.1662122E-05 0.1002166E-08 -.4259363E-02 5 HCO3- 0.1832100E+00 0.2272063E-02 0.0000000E+00 0.1809379E+00 6 HS- 0.9985820E-02 0.2993690E-03 0.5604606E-07 0.9686395E-02 7 H4SiO4 0.7855346E-02 0.1454929E-02 0.6400417E-02 0.0000000E+00 8 Al+++ 0.2253680E-05 0.2209658E-06 0.2032714E-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 0.0000000E+00 0.0000000E+00 11 Fe++ 0.8017372E-08 0.4725403E-13 0.8017325E-08 0.0000000E+00 12 K+ 0.3715700E-02 0.3713667E-02 0.2032714E-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 0.0000000E+00 0.0000000E+00 15 Zn++ 0.1530000E-07 0.1235316E-08 0.1406468E-07 0.0000000E+00 16 Cu+ 0.6237410E-07 0.2228748E-07 0.4008662E-07 0.0000000E+00 17 Pb++ 0.1110000E-07 0.1857615E-09 0.1091424E-07 0.0000000E+00 18 Hg++ 0.4000000E-08 0.3155452E-11 0.0000000E+00 0.3996845E-08 19 F- 0.2439100E-03 0.2439018E-03 0.0000000E+00 0.8235972E-08 Chg. balance for solid moles: -.4947E-17 Mass of aqueous solution: 0.708727E+03 g Temperature = 142.00 C Pressure = 3.79 bar Mixer frac. = 0.0000000 Log Log Vol Gas or mineral Moles Moles Grams Grams Wt.% (cm3) H2O,gas 16.47 1.217 296.7 2.472 97.35 0.1445E+06 CO2,gas 0.1777 -0.750 7.818 0.893 2.565 1643. CH4,gas 0.3287E-02 -2.483 0.5272E-01 -1.278 0.1730E-01 30.89 H2,gas 0.3890E-02 -2.410 0.7858E-02 -2.105 0.2578E-02 35.47 H2S,gas 0.5427E-02 -2.265 0.1850 -0.733 0.6069E-01 48.85 CO,gas 0.4473E-07 -7.349 0.1253E-05 -5.902 0.4111E-06 0.4071E-03 SO2,gas 0.1010E-14 -14.996 0.6468E-13 -13.189 0.2122E-13 0.9190E-11 HF,gas 0.8236E-08 -8.084 0.1647E-06 -6.783 0.5405E-07 0.7496E-04 HCl,gas 0.3072E-10 -10.513 0.1120E-08 -8.951 0.3676E-09 0.2796E-06 Hg,gas 0.3997E-08 -8.398 0.8017E-06 -6.096 0.2631E-06 0.3638E-04 microcline 0.2033E-05 -5.692 0.5658E-03 -3.247 0.1471 0.2210E-03 quartz 0.6394E-02 -2.194 0.3842 -0.415 99.85 0.1451 bornite 0.8017E-08 -8.096 0.4023E-05 -5.395 0.1046E-02 0.7915E-06 galena 0.1091E-07 -7.962 0.2611E-05 -5.583 0.6787E-03 0.3437E-06 sphalerite 0.1406E-07 -7.852 0.1370E-05 -5.863 0.3562E-03 0.3351E-06 Partial press. Fugacity coef Log fugacity Gas or Mineral Mole fraction or activity Activity coef Log activity H2O,gas 0.9886E+00 0.3749E+01 0.9648 0.558 CO2,gas 0.1066E-01 0.4043E-01 1.0144 -1.387 CH4,gas 0.1972E-03 0.7480E-03 1.0319 -3.112 H2,gas 0.2334E-03 0.8854E-03 1.0018 -3.052 H2S,gas 0.3257E-03 0.1235E-02 0.9890 -2.913 CO,gas 0.2684E-08 0.1018E-07 1.0000 -7.992 SO2,gas 0.6059E-16 0.2298E-15 1.0000 -15.639 HF,gas 0.4942E-09 0.1874E-08 1.0000 -8.727 HCl,gas 0.1844E-11 0.6992E-11 1.0000 -11.155 Hg,gas 0.2398E-09 0.9096E-09 1.0000 -9.041 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: 30.058978 % Solid products produced: Mass = 0.384744 g Volume = 0.145302 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 -0.47124E-11 2 CO2,gas -8.12 -8.12 -0.00 -0.000 0.33745E-11 3 CH4,gas 3.52 3.52 -0.00 -0.000 0.16872E-11 4 H2,gas 6.11 6.11 0.00 0.000 -0.16872E-11 5 H2S,gas -7.47 -7.47 0.00 0.000 -0.16872E-11 6 CO,gas 0.96 0.96 -0.00 -0.000 0.14763E-11 7 SO2,gas -2.17 -2.17 -0.00 -0.000 0.67489E-11 8 HF,gas -1.70 -1.70 0.00 0.000 -0.12654E-11 9 HCl,gas 2.83 2.83 0.00 0.000 -0.50617E-11 10 Hg,gas -11.57 -11.57 -0.00 -0.000 0.67489E-11 112 microcline -3.31 -3.31 -0.00 -0.000 0.16872E-10 143 quartz -2.71 -2.71 0.00 0.000 0.00000E+00 196 bornite -80.83 -80.83 0.00 0.000 0.00000E+00 247 galena -11.23 -11.23 0.00 0.000 0.00000E+00 258 sphalerite -10.10 -10.10 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 15 albite-high -0.68 -2.41 -1.73 -0.133 0.32924E+04 16 albite -1.56 -2.41 -0.85 -0.066 0.16228E+04 20 analcite 1.86 0.30 -1.56 -0.173 0.29629E+04 21 andalusite 1.67 -3.10 -4.77 -0.477 0.90642E+04 23 grossular 26.32 21.52 -4.80 -0.240 0.91100E+04 24 anhydrite -6.10 -10.85 -4.75 -2.377 0.90326E+04 27 phlogopite 22.08 20.20 -1.88 -0.104 0.35665E+04 29 anorthite 8.27 4.20 -4.07 -0.313 0.77316E+04 32 aragonite 0.38 -0.07 -0.45 -0.150 0.85508E+03 33 brucite 11.05 7.84 -3.21 -0.642 0.60949E+04 34 calcite 0.22 -0.07 -0.29 -0.098 0.55791E+03 35 carnegieite-low 6.97 3.01 -3.96 -0.566 0.75290E+04 36 carnegieite-high 7.85 3.01 -4.84 -0.692 0.91972E+04 37 carpholite-Mg 4.92 2.02 -2.90 -0.193 0.55045E+04 39 celadonite 3.61 1.82 -1.79 -0.106 0.34082E+04 41 chrysotile 20.53 18.09 -2.44 -0.204 0.46435E+04 43 chlorite-Al-free 40.56 36.18 -4.38 -0.182 0.83194E+04 44 chloritoid-Mg 8.86 4.73 -4.13 -0.275 0.78424E+04 48 coesite -2.15 -2.71 -0.56 -0.187 0.10662E+04 55 cristobalite -2.36 -2.71 -0.35 -0.116 0.66156E+03 58 cymrite-K 0.51 -3.31 -3.81 -0.318 0.72445E+04 60 diaspore 1.36 -0.20 -1.55 -0.259 0.29508E+04 61 diamond -2.60 -5.13 -2.53 -0.724 0.48144E+04 62 diopside 13.90 12.43 -1.47 -0.147 0.27967E+04 64 dolomite,ordered -0.75 -2.32 -1.56 -0.260 0.29680E+04 66 enstatite 14.54 10.25 -4.28 -0.428 0.81385E+04 68 clinoenstatite 14.45 10.25 -4.20 -0.420 0.79738E+04 69 protoenstatite 15.01 10.25 -4.76 -0.476 0.90457E+04 71 clinozoisite 16.04 11.31 -4.73 -0.215 0.89916E+04 75 forsterite 17.91 12.96 -4.95 -0.707 0.94018E+04 78 gibbsite 2.59 -0.20 -2.79 -0.398 0.52968E+04 79 glaucophane 17.45 13.26 -4.19 -0.113 0.79576E+04 82 graphite -3.02 -5.13 -2.11 -0.604 0.40145E+04 85 halite 1.47 -2.99 -4.46 -2.228 0.84653E+04 87 heulandite -8.01 -9.35 -1.34 -0.061 0.25445E+04 91 jadeite 2.78 0.30 -2.48 -0.248 0.47104E+04 93 kalsilite 5.77 2.12 -3.65 -0.522 0.69358E+04 94 kaolinite -3.54 -5.81 -2.28 -0.207 0.43282E+04 95 kyanite 1.61 -3.10 -4.71 -0.471 0.89532E+04 97 laumontite 0.09 -1.22 -1.31 -0.088 0.24954E+04 98 lawsonite 6.22 4.20 -2.01 -0.134 0.38268E+04 99 leucite 2.52 -0.59 -3.12 -0.312 0.59226E+04 101 lizardite 20.01 18.09 -1.93 -0.160 0.36582E+04 102 magnesite -0.13 -2.25 -2.12 -0.705 0.40202E+04 105 minnesotaite-Mg 17.31 12.67 -4.65 -0.273 0.88250E+04 116 muscovite -1.27 -3.70 -2.43 -0.143 0.46189E+04 117 paragonite 0.13 -2.80 -2.93 -0.172 0.55664E+04 118 nepheline 6.34 3.01 -3.33 -0.476 0.63316E+04 130 phlogopite-Na 24.27 21.10 -3.17 -0.176 0.60157E+04 132 prehnite 14.46 11.51 -2.95 -0.174 0.56111E+04 138 pyrite -20.26 -23.78 -3.52 -0.828 0.66810E+04 140 pyrrhotiteFe0.875 -6.18 -10.73 -4.54 -1.670 0.86274E+04 141 pyroxmangite 6.35 2.54 -3.81 -0.762 0.72347E+04 142 pyrophyllite -8.14 -11.24 -3.10 -0.194 0.58835E+04 148 rhodochrosite -1.44 -4.84 -3.40 -1.133 0.64552E+04 149 rhodonite 6.38 2.54 -3.84 -0.769 0.73030E+04 150 sanidine -2.22 -3.31 -1.09 -0.084 0.20677E+04 153 sillimanite 1.89 -3.10 -4.99 -0.499 0.94833E+04 160 stilbite -8.73 -9.35 -0.62 -0.029 0.11763E+04 162 stilpnomelane-Mg 20.51 19.62 -0.90 -0.027 0.17023E+04 166 sulfur -8.82 -13.44 -4.62 -1.420 0.87693E+04 168 talc 13.65 12.67 -0.98 -0.058 0.18618E+04 175 topaz-H 1.72 -3.10 -4.82 -0.438 0.91547E+04 176 tridymite -2.41 -2.71 -0.30 -0.101 0.57353E+03 177 tremolite 40.52 37.53 -3.00 -0.081 0.56905E+04 185 wairakite 0.66 -1.22 -1.88 -0.111 0.35787E+04 186 walstromite 10.16 7.30 -2.85 -0.570 0.54165E+04 187 wollastonite 9.22 7.30 -1.91 -0.383 0.36353E+04 188 pseudo-wollastonite 9.68 7.30 -2.37 -0.474 0.45043E+04 189 zoisite 16.09 11.31 -4.78 -0.217 0.90774E+04 191 beidellite-Ca -4.57 -8.75 -4.18 -0.259 0.79383E+04 193 beidellite-K -4.28 -8.75 -4.47 -0.274 0.84918E+04 194 beidellite-Mg -4.75 -9.11 -4.36 -0.270 0.82829E+04 195 beidellite-Na -4.15 -8.45 -4.30 -0.263 0.81687E+04 198 chalcedony -2.54 -2.71 -0.17 -0.056 0.31911E+03 199 chalcocite -25.05 -25.51 -0.46 -0.114 0.86857E+03 200 covellite -18.13 -19.47 -1.34 -0.511 0.25493E+04 201 dawsonite 0.59 -4.36 -4.95 -0.619 0.94097E+04 202 montmorillonite-Ca -4.40 -6.93 -2.53 -0.157 0.48073E+04 203 montmorillonite-K -4.19 -6.93 -2.74 -0.168 0.52036E+04 204 montmorillonite-Mg -4.62 -7.29 -2.67 -0.165 0.50766E+04 205 montmorillonite-Na -4.03 -6.63 -2.60 -0.159 0.49476E+04 227 tobermorite 9.21 5.63 -3.58 -0.976 0.67978E+04 233 alabandite -1.56 -5.71 -4.15 -1.383 0.78828E+04 238 boehmite 2.65 -0.20 -2.84 -0.474 0.54032E+04 240 chalcopyrite -26.75 -29.81 -3.06 -0.570 0.58152E+04 243 copper,native -2.34 -6.04 -3.70 -1.286 0.70247E+04 244 dolomite,disordered -0.18 -2.32 -2.13 -0.355 0.40509E+04 246 fluorite -10.20 -12.00 -1.80 -0.600 0.34167E+04 255 silica-amorphous -1.95 -2.71 -0.76 -0.253 0.14434E+04 259 wurtzite -8.45 -10.10 -1.65 -0.549 0.31298E+04 261 an20ab80 0.19 -1.09 -1.28 -0.098 0.24310E+04 262 an25ab75 0.65 -0.76 -1.41 -0.109 0.26856E+04 263 an30ab70 1.13 -0.43 -1.55 -0.119 0.29509E+04 Calculations done for 142.0000 Deg. C; 3.7926 bar Enthalpies: Pure water 2.5817 kcal/mole H2O,gas 11.8385 kcal/mole CO2,gas 1.4124 kcal/mole CH4,gas 1.3670 kcal/mole Current solution 101.2486 Gas 195.2820 kcal Total current enthalpy 296.5306 kcal Starting enthalpy 296.5306 kcal Temperature changed by -2.000 degrees to 140.000 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 = 140.00 C Pressure = 3.58 bar Mixer fraction = 0.0000000 Total current enthalpy = 296.5306 KCAL Water: Moles liquid = 0.3904E+02 kg liquid = 0.7033E+00 Moles total = 0.5551E+02 kg total = 0.1000E+01 Activity = 1.0000 Stoichiometric ionic strength = .4764491E-01 Osmotic coef. = 0.9290 True ionic strength = .4693162E-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+ 0.47625E-07 -7.3222 0.36678E-07 -7.4356 0.77015E+00 -0.1134 2 H2O 0.99999E+00 -0.0000 0.99999E+00 -0.0000 3 Cl- 0.43113E-01 -1.3654 0.32822E-01 -1.4838 0.76131E+00 -0.1184 4 SO4-- 0.27723E-05 -5.5572 0.10037E-05 -5.9984 0.36203E+00 -0.4413 5 HCO3- 0.28538E-02 -2.5446 0.21813E-02 -2.6613 0.76432E+00 -0.1167 6 HS- 0.37624E-03 -3.4245 0.28656E-03 -3.5428 0.76162E+00 -0.1183 7 H4SiO4 0.18911E-02 -2.7233 0.18911E-02 -2.7233 0.10000E+01 0.0000 8 Al+++ 0.35213E-21 -21.4533 0.35439E-22 -22.4505 0.10064E+00 -0.9972 9 Ca++ 0.42662E-04 -4.3700 0.15179E-04 -4.8187 0.35580E+00 -0.4488 10 Mg++ 0.28667E-06 -6.5426 0.10081E-06 -6.9965 0.35165E+00 -0.4539 11 Fe++ 0.11694E-13 -13.9320 0.41238E-14 -14.3847 0.35265E+00 -0.4527 12 K+ 0.52739E-02 -2.2779 0.40343E-02 -2.3942 0.76496E+00 -0.1164 13 Na+ 0.41509E-01 -1.3819 0.31596E-01 -1.5004 0.76118E+00 -0.1185 14 Mn++ 0.71174E-09 -9.1477 0.25154E-09 -9.5994 0.35341E+00 -0.4517 15 Zn++ 0.28380E-13 -13.5470 0.10008E-13 -13.9996 0.35265E+00 -0.4527 16 Cu+ 0.24226E-14 -14.6157 0.18438E-14 -14.7343 0.76108E+00 -0.1186 17 Pb++ 0.19352E-14 -14.7133 0.69368E-15 -15.1588 0.35846E+00 -0.4456 18 Hg++ 0.72510E-38 -38.1396 0.25900E-38 -38.5867 0.35719E+00 -0.4471 19 F- 0.34315E-03 -3.4645 0.25957E-03 -3.5857 0.75642E+00 -0.1212 21 HSiO3- 0.88688E-04 -4.0521 0.67519E-04 -4.1706 0.76131E+00 -0.1184 22 Ca(HSiO3)+ 0.63016E-07 -7.2005 0.48231E-07 -7.3167 0.76537E+00 -0.1161 23 Mg(HSiO3)+ 0.44222E-09 -9.3544 0.33847E-09 -9.4705 0.76537E+00 -0.1161 24 NaHSiO3,aq 0.25097E-04 -4.6004 0.25097E-04 -4.6004 0.10000E+01 0.0000 27 HAlO2,aq 0.13476E-08 -8.8704 0.13476E-08 -8.8704 0.10000E+01 0.0000 28 AlO2- 0.28893E-06 -6.5392 0.21875E-06 -6.6600 0.75712E+00 -0.1208 29 CH4,aq 0.60502E-06 -6.2182 0.59628E-06 -6.2245 0.98555E+00 -0.0063 35 CO2,aq 0.31281E-03 -3.5047 0.30829E-03 -3.5110 0.98555E+00 -0.0063 36 CO3-2 0.11336E-04 -4.9455 0.40826E-05 -5.3891 0.36015E+00 -0.4435 37 CaCO3,aq 0.23641E-05 -5.6263 0.23641E-05 -5.6263 0.10000E+01 0.0000 38 Ca(HCO3)+ 0.24460E-05 -5.6116 0.18721E-05 -5.7277 0.76537E+00 -0.1161 39 CaCl+ 0.24893E-05 -5.6039 0.19052E-05 -5.7201 0.76537E+00 -0.1161 40 CaCl2,aq 0.16203E-07 -7.7904 0.16203E-07 -7.7904 0.10000E+01 0.0000 41 CaF+ 0.18133E-06 -6.7415 0.13879E-06 -6.8577 0.76537E+00 -0.1161 42 CaOH+ 0.40500E-06 -6.3925 0.30997E-06 -6.5087 0.76537E+00 -0.1161 43 CaSO4,aq 0.10102E-07 -7.9956 0.10102E-07 -7.9956 0.10000E+01 0.0000 44 HCl,aq 0.31946E-09 -9.4956 0.31946E-09 -9.4956 0.10000E+01 0.0000 61 HF,aq 0.16472E-06 -6.7833 0.16472E-06 -6.7833 0.10000E+01 0.0000 62 HF2- 0.19677E-10 -10.7060 0.14980E-10 -10.8245 0.76131E+00 -0.1184 76 H2,aq 0.81149E-06 -6.0907 0.79976E-06 -6.0970 0.98555E+00 -0.0063 90 KCl,aq 0.59382E-05 -5.2263 0.59382E-05 -5.2263 0.10000E+01 0.0000 92 KOH,aq 0.22366E-06 -6.6504 0.22366E-06 -6.6504 0.10000E+01 0.0000 93 KSO4- 0.14991E-06 -6.8242 0.11413E-06 -6.9426 0.76131E+00 -0.1184 94 MgCO3,aq 0.30599E-08 -8.5143 0.30599E-08 -8.5143 0.10000E+01 0.0000 95 Mg(HCO3)+ 0.16488E-07 -7.7828 0.12619E-07 -7.8990 0.76537E+00 -0.1161 96 MgCl+ 0.12368E-07 -7.9077 0.94662E-08 -8.0238 0.76537E+00 -0.1161 97 MgF+ 0.40662E-08 -8.3908 0.31121E-08 -8.5069 0.76537E+00 -0.1161 98 MgOH+ 0.11563E-07 -7.9369 0.88502E-08 -8.0530 0.76537E+00 -0.1161 102 MnOH+ 0.16318E-09 -9.7873 0.12490E-09 -9.9035 0.76537E+00 -0.1161 107 MnCl+ 0.23256E-09 -9.6335 0.17800E-09 -9.7496 0.76537E+00 -0.1161 109 NaCl,aq 0.55780E-03 -3.2535 0.55780E-03 -3.2535 0.10000E+01 0.0000 110 NaF,aq 0.32858E-05 -5.4834 0.32858E-05 -5.4834 0.10000E+01 0.0000 111 NaOH,aq 0.14733E-05 -5.8317 0.14733E-05 -5.8317 0.10000E+01 0.0000 113 OH- 0.67023E-04 -4.1738 0.50744E-04 -4.2946 0.75712E+00 -0.1208 124 Pb(HS)2,aq 0.18912E-09 -9.7233 0.18912E-09 -9.7233 0.10000E+01 0.0000 126 H2S,aq 0.35871E-04 -4.4453 0.35352E-04 -4.4516 0.98555E+00 -0.0063 127 S2-2 0.56076E-10 -10.2512 0.20196E-10 -10.6947 0.36015E+00 -0.4435 135 HSO4- 0.18137E-09 -9.7414 0.13913E-09 -9.8566 0.76711E+00 -0.1151 154 ZnOH+ 0.21669E-10 -10.6642 0.16585E-10 -10.7803 0.76537E+00 -0.1161 164 Cu(HS)2- 0.30631E-07 -7.5138 0.23320E-07 -7.6323 0.76131E+00 -0.1184 166 CuH4S3-b 0.10573E-08 -8.9758 0.80490E-09 -9.0943 0.76131E+00 -0.1184 179 MgSO4,aq 0.26126E-09 -9.5829 0.26126E-09 -9.5829 0.10000E+01 0.0000 180 MnCl2,aq 0.21604E-10 -10.6655 0.21604E-10 -10.6655 0.10000E+01 0.0000 182 MnCO3,aq 0.27549E-08 -8.5599 0.27549E-08 -8.5599 0.10000E+01 0.0000 183 NaCO3- 0.34927E-05 -5.4568 0.26591E-05 -5.5753 0.76131E+00 -0.1184 184 NaHCO3,aq 0.28863E-04 -4.5397 0.28863E-04 -4.5397 0.10000E+01 0.0000 185 NaHS,aq 0.37918E-05 -5.4212 0.37918E-05 -5.4212 0.10000E+01 0.0000 186 NaSO4- 0.50263E-06 -6.2987 0.38266E-06 -6.4172 0.76131E+00 -0.1184 187 PbCO3,aq 0.45568E-10 -10.3413 0.45568E-10 -10.3413 0.10000E+01 0.0000 193 Zn(HS)2,aq 0.15459E-08 -8.8108 0.15459E-08 -8.8108 0.10000E+01 0.0000 194 Zn(HS)3- 0.44712E-10 -10.3496 0.34040E-10 -10.4680 0.76131E+00 -0.1184 Charge balance for all species = 0.3415E-07 Component Molality Aq.molality ppm log[A(N)/A(H+)**Z] (total) 1 H+ 0.4762511E-07 0.1473482E-03 0.1480552E+00 0.0000 2 H2O 0.1000000E+01 0.5550789E+02 0.9968744E+06 0.0000 3 Cl- 0.4311290E-01 0.4367918E-01 0.1543731E+04 5.9518 4 SO4-- 0.2772298E-05 0.2627503E-05 0.2516153E+00 8.8728 5 HCO3- 0.2853846E-02 0.3215785E-02 0.1956066E+03 4.7743 6 HS- 0.3762442E-03 0.4167828E-03 0.1374087E+02 3.8928 7 H4SiO4 0.1891100E-02 0.2004948E-02 0.1921058E+03 -2.7233 8 Al+++ 0.3521275E-21 0.2902753E-06 0.7807651E-02 -0.1438 9 Ca++ 0.4266241E-04 0.5063743E-04 0.2023121E+01 10.0524 10 Mg++ 0.2866663E-06 0.3349149E-06 0.8117071E-02 7.8747 11 Fe++ 0.1169367E-13 0.4447547E-13 0.2476080E-08 0.4865 12 K+ 0.5273907E-02 0.5280219E-02 0.2058235E+03 5.0414 13 Na+ 0.4150909E-01 0.4213340E-01 0.9656191E+03 5.9352 14 Mn++ 0.7117435E-09 0.3896445E-08 0.2133957E-03 5.2718 15 Zn++ 0.2837994E-13 0.1614167E-08 0.1051892E-03 0.8715 16 Cu+ 0.2422585E-14 0.3168912E-07 0.2007251E-02 -7.2987 17 Pb++ 0.1935194E-14 0.2370814E-09 0.4896779E-04 -0.2877 18 Hg++ 0.7251043E-38 0.4340150E-11 0.8678771E-06 -23.7155 19 F- 0.3431542E-03 0.3467902E-03 0.6567784E+01 3.8498 Component Tot moles Aq. moles Solid moles Gas moles 1 H+ 0.1822172E+00 0.1036320E-03 -.8246250E-05 0.1821218E+00 2 H2O 0.5550825E+02 0.3903947E+02 -.1288638E-01 0.1648167E+02 3 Cl- 0.3072017E-01 0.3072017E-01 0.0000000E+00 0.2801705E-10 4 SO4-- -.4257700E-02 0.1847959E-05 0.1002168E-08 -.4259549E-02 5 HCO3- 0.1832100E+00 0.2261706E-02 0.0000000E+00 0.1809483E+00 6 HS- 0.9985820E-02 0.2931291E-03 0.5616519E-07 0.9692635E-02 7 H4SiO4 0.7855346E-02 0.1410108E-02 0.6445238E-02 0.0000000E+00 8 Al+++ 0.2253680E-05 0.2041546E-06 0.2049525E-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 0.0000000E+00 0.0000000E+00 11 Fe++ 0.8017372E-08 0.3128021E-13 0.8017341E-08 0.0000000E+00 12 K+ 0.3715700E-02 0.3713650E-02 0.2049525E-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 0.0000000E+00 0.0000000E+00 15 Zn++ 0.1530000E-07 0.1135266E-08 0.1416473E-07 0.0000000E+00 16 Cu+ 0.6237410E-07 0.2228740E-07 0.4008670E-07 0.0000000E+00 17 Pb++ 0.1110000E-07 0.1667426E-09 0.1093326E-07 0.0000000E+00 18 Hg++ 0.4000000E-08 0.3052487E-11 0.0000000E+00 0.3996948E-08 19 F- 0.2439100E-03 0.2439023E-03 0.0000000E+00 0.7664192E-08 Chg. balance for solid moles: 0.3072E-17 Mass of aqueous solution: 0.705513E+03 g Temperature = 140.00 C Pressure = 3.58 bar Mixer frac. = 0.0000000 Log Log Vol Gas or mineral Moles Moles Grams Grams Wt.% (cm3) H2O,gas 16.65 1.221 299.9 2.477 97.38 0.1540E+06 CO2,gas 0.1776 -0.750 7.818 0.893 2.539 1730. CH4,gas 0.3305E-02 -2.481 0.5302E-01 -1.276 0.1721E-01 32.67 H2,gas 0.3817E-02 -2.418 0.7711E-02 -2.113 0.2504E-02 36.65 H2S,gas 0.5433E-02 -2.265 0.1852 -0.732 0.6012E-01 51.53 CO,gas 0.4095E-07 -7.388 0.1147E-05 -5.940 0.3724E-06 0.3925E-03 SO2,gas 0.8741E-15 -15.058 0.5600E-13 -13.252 0.1818E-13 0.8378E-11 HF,gas 0.7664E-08 -8.116 0.1533E-06 -6.815 0.4977E-07 0.7346E-04 HCl,gas 0.2802E-10 -10.553 0.1022E-08 -8.991 0.3317E-09 0.2685E-06 Hg,gas 0.3997E-08 -8.398 0.8017E-06 -6.096 0.2603E-06 0.3831E-04 microcline 0.2050E-05 -5.688 0.5705E-03 -3.244 0.1472 0.2228E-03 quartz 0.6439E-02 -2.191 0.3869 -0.412 99.85 0.1461 bornite 0.8017E-08 -8.096 0.4023E-05 -5.395 0.1038E-02 0.7915E-06 galena 0.1093E-07 -7.961 0.2616E-05 -5.582 0.6751E-03 0.3443E-06 sphalerite 0.1416E-07 -7.849 0.1380E-05 -5.860 0.3562E-03 0.3375E-06 Partial press. Fugacity coef Log fugacity Gas or Mineral Mole fraction or activity Activity coef Log activity H2O,gas 0.9887E+00 0.3543E+01 0.9662 0.534 CO2,gas 0.1055E-01 0.3780E-01 1.0140 -1.416 CH4,gas 0.1962E-03 0.7033E-03 1.0307 -3.140 H2,gas 0.2266E-03 0.8123E-03 1.0017 -3.090 H2S,gas 0.3226E-03 0.1156E-02 0.9895 -2.942 CO,gas 0.2431E-08 0.8714E-08 1.0000 -8.060 SO2,gas 0.5190E-16 0.1860E-15 1.0000 -15.730 HF,gas 0.4551E-09 0.1631E-08 1.0000 -8.788 HCl,gas 0.1663E-11 0.5962E-11 1.0000 -11.225 Hg,gas 0.2373E-09 0.8505E-09 1.0000 -9.070 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: 30.375676 % Solid products produced: Mass = 0.387439 g Volume = 0.146320 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 -0.68279E-11 2 CO2,gas -8.13 -8.13 -0.00 -0.000 0.10075E-10 3 CH4,gas 3.49 3.49 -0.00 -0.000 0.50373E-11 4 H2,gas 6.12 6.12 0.00 0.000 0.00000E+00 5 H2S,gas -7.48 -7.48 0.00 0.000 -0.16791E-11 6 CO,gas 0.99 0.99 0.00 0.000 -0.12593E-11 7 SO2,gas -2.11 -2.11 -0.00 -0.000 0.67164E-11 8 HF,gas -1.68 -1.68 0.00 0.000 -0.16791E-11 9 HCl,gas 2.86 2.86 -0.00 -0.000 0.33582E-11 10 Hg,gas -11.62 -11.62 -0.00 -0.000 0.67164E-11 112 microcline -3.27 -3.27 -0.00 -0.000 0.67164E-11 143 quartz -2.72 -2.72 0.00 0.000 0.00000E+00 196 bornite -81.16 -81.16 0.00 0.000 -0.26866E-10 247 galena -11.27 -11.27 0.00 0.000 -0.67164E-11 258 sphalerite -10.11 -10.11 0.00 0.000 -0.33582E-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 -0.62 -2.38 -1.76 -0.135 0.33203E+04 16 albite -1.51 -2.38 -0.87 -0.067 0.16427E+04 20 analcite 1.92 0.34 -1.57 -0.175 0.29763E+04 21 andalusite 1.81 -3.01 -4.82 -0.482 0.91163E+04 23 grossular 26.59 21.70 -4.89 -0.245 0.92451E+04 24 anhydrite -6.06 -10.82 -4.76 -2.378 0.89928E+04 27 phlogopite 22.29 20.35 -1.94 -0.108 0.36694E+04 29 anorthite 8.46 4.32 -4.14 -0.319 0.78309E+04 32 aragonite 0.41 -0.04 -0.45 -0.151 0.85467E+03 33 brucite 11.11 7.87 -3.24 -0.647 0.61164E+04 34 calcite 0.25 -0.04 -0.30 -0.099 0.55877E+03 35 carnegieite-low 7.06 3.07 -3.99 -0.570 0.75462E+04 36 carnegieite-high 7.95 3.07 -4.88 -0.697 0.92220E+04 37 carpholite-Mg 5.08 2.14 -2.94 -0.196 0.55498E+04 39 celadonite 3.69 1.88 -1.81 -0.106 0.34161E+04 41 chrysotile 20.67 18.18 -2.50 -0.208 0.47205E+04 43 chlorite-Al-free 40.83 36.35 -4.48 -0.187 0.84687E+04 44 chloritoid-Mg 9.05 4.86 -4.18 -0.279 0.79088E+04 48 coesite -2.16 -2.72 -0.56 -0.188 0.10656E+04 55 cristobalite -2.37 -2.72 -0.35 -0.117 0.66440E+03 58 cymrite-K 0.56 -3.27 -3.83 -0.319 0.72387E+04 60 diaspore 1.42 -0.14 -1.57 -0.261 0.29608E+04 61 diamond -2.62 -5.15 -2.54 -0.724 0.47936E+04 62 diopside 14.00 12.48 -1.52 -0.152 0.28703E+04 64 dolomite,ordered -0.70 -2.27 -1.57 -0.262 0.29701E+04 66 enstatite 14.65 10.30 -4.35 -0.435 0.82211E+04 68 clinoenstatite 14.56 10.30 -4.26 -0.426 0.80563E+04 69 protoenstatite 15.13 10.30 -4.83 -0.483 0.91304E+04 71 clinozoisite 16.33 11.50 -4.83 -0.219 0.91272E+04 78 gibbsite 2.66 -0.14 -2.80 -0.400 0.52924E+04 79 glaucophane 17.68 13.42 -4.26 -0.115 0.80608E+04 82 graphite -3.04 -5.15 -2.11 -0.604 0.39957E+04 85 halite 1.47 -2.98 -4.46 -2.229 0.84266E+04 87 heulandite -7.93 -9.30 -1.37 -0.062 0.25954E+04 91 jadeite 2.84 0.34 -2.49 -0.249 0.47151E+04 93 kalsilite 5.84 2.17 -3.67 -0.524 0.69383E+04 94 kaolinite -3.44 -5.73 -2.29 -0.208 0.43323E+04 95 kyanite 1.75 -3.01 -4.76 -0.476 0.90008E+04 97 laumontite 0.21 -1.13 -1.34 -0.089 0.25296E+04 98 lawsonite 6.36 4.32 -2.04 -0.136 0.38610E+04 99 leucite 2.59 -0.55 -3.14 -0.314 0.59342E+04 101 lizardite 20.15 18.18 -1.97 -0.164 0.37289E+04 102 magnesite -0.09 -2.22 -2.13 -0.709 0.40223E+04 105 minnesotaite-Mg 17.45 12.73 -4.72 -0.278 0.89215E+04 116 muscovite -1.10 -3.56 -2.46 -0.145 0.46453E+04 117 paragonite 0.30 -2.67 -2.97 -0.175 0.56086E+04 118 nepheline 6.43 3.07 -3.36 -0.480 0.63502E+04 130 phlogopite-Na 24.49 21.25 -3.25 -0.180 0.61379E+04 132 prehnite 14.67 11.65 -3.02 -0.178 0.57106E+04 138 pyrite -20.30 -23.94 -3.65 -0.858 0.68926E+04 140 pyrrhotiteFe0.875 -6.18 -10.86 -4.68 -1.723 0.88556E+04 141 pyroxmangite 6.39 2.55 -3.84 -0.768 0.72618E+04 142 pyrophyllite -8.06 -11.18 -3.12 -0.195 0.59072E+04 148 rhodochrosite -1.42 -4.83 -3.41 -1.136 0.64426E+04 149 rhodonite 6.43 2.55 -3.88 -0.776 0.73306E+04 150 sanidine -2.18 -3.27 -1.09 -0.084 0.20677E+04 160 stilbite -8.69 -9.30 -0.61 -0.029 0.11545E+04 162 stilpnomelane-Mg 20.80 19.82 -0.98 -0.029 0.18567E+04 166 sulfur -8.83 -13.45 -4.62 -1.422 0.87359E+04 168 talc 13.77 12.73 -1.03 -0.061 0.19561E+04 175 topaz-H 1.84 -3.01 -4.85 -0.441 0.91714E+04 176 tridymite -2.42 -2.72 -0.30 -0.101 0.57555E+03 177 tremolite 40.83 37.69 -3.14 -0.085 0.59355E+04 185 wairakite 0.80 -1.13 -1.93 -0.114 0.36478E+04 186 walstromite 10.21 7.33 -2.88 -0.577 0.54520E+04 187 wollastonite 9.27 7.33 -1.94 -0.388 0.36703E+04 188 pseudo-wollastonite 9.73 7.33 -2.40 -0.480 0.45416E+04 189 zoisite 16.38 11.50 -4.87 -0.222 0.92127E+04 191 beidellite-Ca -4.45 -8.67 -4.22 -0.261 0.79787E+04 193 beidellite-K -4.16 -8.67 -4.50 -0.276 0.85159E+04 194 beidellite-Mg -4.63 -9.03 -4.40 -0.272 0.83244E+04 195 beidellite-Na -4.03 -8.37 -4.34 -0.266 0.81982E+04 198 chalcedony -2.55 -2.72 -0.17 -0.056 0.31904E+03 199 chalcocite -25.17 -25.58 -0.41 -0.102 0.76964E+03 200 covellite -18.20 -19.51 -1.31 -0.499 0.24763E+04 201 dawsonite 0.64 -4.31 -4.94 -0.618 0.93410E+04 202 montmorillonite-Ca -4.31 -6.88 -2.56 -0.159 0.48448E+04 203 montmorillonite-K -4.11 -6.87 -2.76 -0.169 0.52271E+04 204 montmorillonite-Mg -4.53 -7.24 -2.71 -0.167 0.51149E+04 205 montmorillonite-Na -3.94 -6.58 -2.63 -0.161 0.49744E+04 227 tobermorite 9.24 5.65 -3.58 -0.978 0.67773E+04 233 alabandite -1.53 -5.71 -4.17 -1.391 0.78899E+04 238 boehmite 2.72 -0.14 -2.87 -0.478 0.54208E+04 240 chalcopyrite -26.83 -30.01 -3.18 -0.591 0.60088E+04 243 copper,native -2.37 -6.06 -3.69 -1.285 0.69841E+04 244 dolomite,disordered -0.12 -2.27 -2.15 -0.358 0.40585E+04 246 fluorite -10.19 -11.99 -1.80 -0.601 0.34081E+04 255 silica-amorphous -1.96 -2.72 -0.77 -0.255 0.14471E+04 259 wurtzite -8.45 -10.11 -1.66 -0.552 0.31300E+04 261 an20ab80 0.27 -1.04 -1.31 -0.100 0.24687E+04 262 an25ab75 0.74 -0.70 -1.44 -0.111 0.27276E+04 263 an30ab70 1.22 -0.37 -1.59 -0.122 0.29969E+04 Calculations done for 140.0000 Deg. C; 3.5839 bar Enthalpies: Pure water 2.5442 kcal/mole H2O,gas 11.8276 kcal/mole CO2,gas 1.3867 kcal/mole CH4,gas 1.3416 kcal/mole Current solution 99.3244 Gas 197.2062 kcal Total current enthalpy 296.5306 kcal Starting enthalpy 296.5306 kcal Temperature changed by -2.000 degrees to 138.000 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 = 138.00 C Pressure = 3.38 bar Mixer fraction = 0.0000000 Total current enthalpy = 296.5306 KCAL Water: Moles liquid = 0.3886E+02 kg liquid = 0.7001E+00 Moles total = 0.5551E+02 kg total = 0.1000E+01 Activity = 1.0000 Stoichiometric ionic strength = .4785150E-01 Osmotic coef. = 0.9294 True ionic strength = .4715686E-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+ 0.45829E-07 -7.3389 0.35332E-07 -7.4518 0.77095E+00 -0.1130 2 H2O 0.99999E+00 -0.0000 0.99999E+00 -0.0000 3 Cl- 0.43320E-01 -1.3633 0.33014E-01 -1.4813 0.76210E+00 -0.1180 4 SO4-- 0.29574E-05 -5.5291 0.10749E-05 -5.9686 0.36347E+00 -0.4395 5 HCO3- 0.28734E-02 -2.5416 0.21984E-02 -2.6579 0.76508E+00 -0.1163 6 HS- 0.37160E-03 -3.4299 0.28331E-03 -3.5477 0.76241E+00 -0.1178 7 H4SiO4 0.18376E-02 -2.7357 0.18376E-02 -2.7357 0.10000E+01 0.0000 8 Al+++ 0.35209E-21 -21.4533 0.35762E-22 -22.4466 0.10157E+00 -0.9932 9 Ca++ 0.43013E-04 -4.3664 0.15367E-04 -4.8134 0.35726E+00 -0.4470 10 Mg++ 0.28929E-06 -6.5387 0.10216E-06 -6.9907 0.35313E+00 -0.4521 11 Fe++ 0.80174E-14 -14.0960 0.28392E-14 -14.5468 0.35413E+00 -0.4508 12 K+ 0.52981E-02 -2.2759 0.40568E-02 -2.3918 0.76570E+00 -0.1159 13 Na+ 0.41708E-01 -1.3798 0.31780E-01 -1.4978 0.76196E+00 -0.1181 14 Mn++ 0.69502E-09 -9.1580 0.24665E-09 -9.6079 0.35488E+00 -0.4499 15 Zn++ 0.26923E-13 -13.5699 0.95343E-14 -14.0207 0.35413E+00 -0.4508 16 Cu+ 0.22017E-14 -14.6572 0.16774E-14 -14.7754 0.76186E+00 -0.1181 17 Pb++ 0.17231E-14 -14.7637 0.62014E-15 -15.2075 0.35990E+00 -0.4438 18 Hg++ 0.59243E-38 -38.2274 0.21247E-38 -38.6727 0.35864E+00 -0.4453 19 F- 0.34480E-03 -3.4624 0.26112E-03 -3.5832 0.75729E+00 -0.1207 21 HSiO3- 0.88378E-04 -4.0537 0.67353E-04 -4.1716 0.76210E+00 -0.1180 22 Ca(HSiO3)+ 0.61158E-07 -7.2135 0.46854E-07 -7.3293 0.76611E+00 -0.1157 23 Mg(HSiO3)+ 0.43305E-09 -9.3635 0.33176E-09 -9.4792 0.76611E+00 -0.1157 24 NaHSiO3,aq 0.25474E-04 -4.5939 0.25474E-04 -4.5939 0.10000E+01 0.0000 27 HAlO2,aq 0.12619E-08 -8.8990 0.12619E-08 -8.8990 0.10000E+01 0.0000 28 AlO2- 0.26784E-06 -6.5721 0.20301E-06 -6.6925 0.75797E+00 -0.1203 29 CH4,aq 0.56199E-06 -6.2503 0.55385E-06 -6.2566 0.98551E+00 -0.0063 35 CO2,aq 0.29393E-03 -3.5318 0.28967E-03 -3.5381 0.98551E+00 -0.0063 36 CO3-2 0.11991E-04 -4.9211 0.43361E-05 -5.3629 0.36160E+00 -0.4418 37 CaCO3,aq 0.24002E-05 -5.6197 0.24002E-05 -5.6197 0.10000E+01 0.0000 38 Ca(HCO3)+ 0.23886E-05 -5.6219 0.18299E-05 -5.7376 0.76611E+00 -0.1157 39 CaCl+ 0.24209E-05 -5.6160 0.18547E-05 -5.7317 0.76611E+00 -0.1157 40 CaCl2,aq 0.15734E-07 -7.8032 0.15734E-07 -7.8032 0.10000E+01 0.0000 41 CaF+ 0.17611E-06 -6.7542 0.13492E-06 -6.8699 0.76611E+00 -0.1157 42 CaOH+ 0.38245E-06 -6.4174 0.29300E-06 -6.5331 0.76611E+00 -0.1157 43 CaSO4,aq 0.10528E-07 -7.9776 0.10528E-07 -7.9776 0.10000E+01 0.0000 44 HCl,aq 0.30186E-09 -9.5202 0.30186E-09 -9.5202 0.10000E+01 0.0000 61 HF,aq 0.15248E-06 -6.8168 0.15248E-06 -6.8168 0.10000E+01 0.0000 62 HF2- 0.18317E-10 -10.7372 0.13959E-10 -10.8551 0.76210E+00 -0.1180 76 H2,aq 0.73450E-06 -6.1340 0.72386E-06 -6.1403 0.98551E+00 -0.0063 90 KCl,aq 0.57522E-05 -5.2402 0.57522E-05 -5.2402 0.10000E+01 0.0000 92 KOH,aq 0.21808E-06 -6.6614 0.21808E-06 -6.6614 0.10000E+01 0.0000 93 KSO4- 0.15622E-06 -6.8063 0.11906E-06 -6.9242 0.76210E+00 -0.1180 94 MgCO3,aq 0.31477E-08 -8.5020 0.31477E-08 -8.5020 0.10000E+01 0.0000 95 Mg(HCO3)+ 0.16133E-07 -7.7923 0.12360E-07 -7.9080 0.76611E+00 -0.1157 96 MgCl+ 0.12149E-07 -7.9154 0.93079E-08 -8.0311 0.76611E+00 -0.1157 97 MgF+ 0.39706E-08 -8.4011 0.30419E-08 -8.5169 0.76611E+00 -0.1157 98 MgOH+ 0.11047E-07 -7.9568 0.84630E-08 -8.0725 0.76611E+00 -0.1157 102 MnOH+ 0.15291E-09 -9.8156 0.11715E-09 -9.9313 0.76611E+00 -0.1157 107 MnCl+ 0.21518E-09 -9.6672 0.16485E-09 -9.7829 0.76611E+00 -0.1157 109 NaCl,aq 0.55041E-03 -3.2593 0.55041E-03 -3.2593 0.10000E+01 0.0000 110 NaF,aq 0.32362E-05 -5.4900 0.32362E-05 -5.4900 0.10000E+01 0.0000 111 NaOH,aq 0.14480E-05 -5.8392 0.14480E-05 -5.8392 0.10000E+01 0.0000 113 OH- 0.66161E-04 -4.1794 0.50148E-04 -4.2997 0.75797E+00 -0.1203 124 Pb(HS)2,aq 0.16992E-09 -9.7698 0.16992E-09 -9.7698 0.10000E+01 0.0000 126 H2S,aq 0.33805E-04 -4.4710 0.33315E-04 -4.4774 0.98551E+00 -0.0063 127 S2-2 0.54442E-10 -10.2641 0.19686E-10 -10.7058 0.36160E+00 -0.4418 135 HSO4- 0.17485E-09 -9.7573 0.13426E-09 -9.8721 0.76785E+00 -0.1147 154 ZnOH+ 0.19295E-10 -10.7146 0.14782E-10 -10.8303 0.76611E+00 -0.1157 164 Cu(HS)2- 0.30693E-07 -7.5130 0.23391E-07 -7.6309 0.76210E+00 -0.1180 166 CuH4S3-b 0.11400E-08 -8.9431 0.86883E-09 -9.0611 0.76210E+00 -0.1180 179 MgSO4,aq 0.27230E-09 -9.5649 0.27230E-09 -9.5649 0.10000E+01 0.0000 180 MnCl2,aq 0.19420E-10 -10.7117 0.19420E-10 -10.7117 0.10000E+01 0.0000 182 MnCO3,aq 0.28203E-08 -8.5497 0.28203E-08 -8.5497 0.10000E+01 0.0000 183 NaCO3- 0.36518E-05 -5.4375 0.27831E-05 -5.5555 0.76210E+00 -0.1180 184 NaHCO3,aq 0.28720E-04 -4.5418 0.28720E-04 -4.5418 0.10000E+01 0.0000 185 NaHS,aq 0.37012E-05 -5.4317 0.37012E-05 -5.4317 0.10000E+01 0.0000 186 NaSO4- 0.53161E-06 -6.2744 0.40514E-06 -6.3924 0.76210E+00 -0.1180 187 PbCO3,aq 0.41571E-10 -10.3812 0.41571E-10 -10.3812 0.10000E+01 0.0000 193 Zn(HS)2,aq 0.14277E-08 -8.8454 0.14277E-08 -8.8454 0.10000E+01 0.0000 194 Zn(HS)3- 0.40594E-10 -10.3915 0.30937E-10 -10.5095 0.76210E+00 -0.1180 Charge balance for all species = 0.3431E-07 Component Molality Aq.molality ppm log[A(N)/A(H+)**Z] (total) 1 H+ 0.4582882E-07 0.1264917E-03 0.1270976E+00 0.0000 2 H2O 0.1000000E+01 0.5550791E+02 0.9968672E+06 0.0000 3 Cl- 0.4331973E-01 0.4387835E-01 0.1550759E+04 5.9705 4 SO4-- 0.2957439E-05 0.2910649E-05 0.2787280E+00 8.9351 5 HCO3- 0.2873388E-02 0.3217054E-02 0.1956823E+03 4.7939 6 HS- 0.3715968E-03 0.4099168E-03 0.1351441E+02 3.9041 7 H4SiO4 0.1837620E-02 0.1951534E-02 0.1869864E+03 -2.7357 8 Al+++ 0.3520903E-21 0.2690996E-06 0.7238025E-02 -0.0911 9 Ca++ 0.4301264E-04 0.5086833E-04 0.2032331E+01 10.0902 10 Mg++ 0.2892889E-06 0.3364421E-06 0.8154023E-02 7.9129 11 Fe++ 0.8017447E-14 0.2951804E-13 0.1643343E-08 0.3569 12 K+ 0.5298147E-02 0.5304273E-02 0.2067597E+03 5.0600 13 Na+ 0.4170835E-01 0.4232552E-01 0.9700150E+03 5.9540 14 Mn++ 0.6950163E-09 0.3914213E-08 0.2143671E-03 5.2957 15 Zn++ 0.2692325E-13 0.1489232E-08 0.9704690E-04 0.8830 16 Cu+ 0.2201662E-14 0.3183355E-07 0.2016384E-02 -7.3235 17 Pb++ 0.1723090E-14 0.2135974E-09 0.4411696E-04 -0.3038 18 Hg++ 0.5924301E-38 0.4216472E-11 0.8431394E-06 -23.7690 19 F- 0.3448035E-03 0.3483723E-03 0.6597698E+01 3.8687 Component Tot moles Aq. moles Solid moles Gas moles 1 H+ 0.1822172E+00 0.8855950E-04 -.8309369E-05 0.1821370E+00 2 H2O 0.5550825E+02 0.3886227E+02 -.1297394E-01 0.1665896E+02 3 Cl- 0.3072017E-01 0.3072017E-01 0.0000000E+00 0.2552349E-10 4 SO4-- -.4257700E-02 0.2037808E-05 0.1002169E-08 -.4259739E-02 5 HCO3- 0.1832100E+00 0.2252328E-02 0.0000000E+00 0.1809577E+00 6 HS- 0.9985820E-02 0.2869915E-03 0.5627505E-07 0.9698772E-02 7 H4SiO4 0.7855346E-02 0.1366310E-02 0.6489035E-02 0.0000000E+00 8 Al+++ 0.2253680E-05 0.1884024E-06 0.2065278E-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 0.0000000E+00 0.0000000E+00 11 Fe++ 0.8017372E-08 0.2066621E-13 0.8017351E-08 0.0000000E+00 12 K+ 0.3715700E-02 0.3713635E-02 0.2065278E-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 0.0000000E+00 0.0000000E+00 15 Zn++ 0.1530000E-07 0.1042643E-08 0.1425736E-07 0.0000000E+00 16 Cu+ 0.6237410E-07 0.2228734E-07 0.4008676E-07 0.0000000E+00 17 Pb++ 0.1110000E-07 0.1495441E-09 0.1095046E-07 0.0000000E+00 18 Hg++ 0.4000000E-08 0.2952042E-11 0.0000000E+00 0.3997048E-08 19 F- 0.2439100E-03 0.2439029E-03 0.0000000E+00 0.7126219E-08 Chg. balance for solid moles: -.2388E-16 Mass of aqueous solution: 0.702316E+03 g Temperature = 138.00 C Pressure = 3.38 bar Mixer frac. = 0.0000000 Log Log Vol Gas or mineral Moles Moles Grams Grams Wt.% (cm3) H2O,gas 16.83 1.226 303.1 2.482 97.41 0.1643E+06 CO2,gas 0.1776 -0.750 7.818 0.893 2.512 1822. CH4,gas 0.3324E-02 -2.478 0.5331E-01 -1.273 0.1713E-01 34.58 H2,gas 0.3744E-02 -2.427 0.7562E-02 -2.121 0.2430E-02 37.88 H2S,gas 0.5439E-02 -2.264 0.1854 -0.732 0.5957E-01 54.38 CO,gas 0.3746E-07 -7.426 0.1049E-05 -5.979 0.3372E-06 0.3783E-03 SO2,gas 0.7554E-15 -15.122 0.4839E-13 -13.315 0.1555E-13 0.7630E-11 HF,gas 0.7126E-08 -8.147 0.1425E-06 -6.846 0.4580E-07 0.7198E-04 HCl,gas 0.2552E-10 -10.593 0.9306E-09 -9.031 0.2991E-09 0.2578E-06 Hg,gas 0.3997E-08 -8.398 0.8018E-06 -6.096 0.2577E-06 0.4037E-04 microcline 0.2065E-05 -5.685 0.5748E-03 -3.240 0.1474 0.2246E-03 quartz 0.6483E-02 -2.188 0.3895 -0.410 99.85 0.1471 bornite 0.8017E-08 -8.096 0.4023E-05 -5.395 0.1031E-02 0.7915E-06 galena 0.1095E-07 -7.961 0.2620E-05 -5.582 0.6716E-03 0.3448E-06 sphalerite 0.1426E-07 -7.846 0.1389E-05 -5.857 0.3561E-03 0.3397E-06 Partial press. Fugacity coef Log fugacity Gas or Mineral Mole fraction or activity Activity coef Log activity H2O,gas 0.9888E+00 0.3347E+01 0.9674 0.510 CO2,gas 0.1044E-01 0.3532E-01 1.0137 -1.446 CH4,gas 0.1953E-03 0.6609E-03 1.0295 -3.167 H2,gas 0.2200E-03 0.7445E-03 1.0016 -3.127 H2S,gas 0.3196E-03 0.1082E-02 0.9899 -2.970 CO,gas 0.2201E-08 0.7448E-08 1.0000 -8.128 SO2,gas 0.4438E-16 0.1502E-15 1.0000 -15.823 HF,gas 0.4187E-09 0.1417E-08 1.0000 -8.849 HCl,gas 0.1500E-11 0.5075E-11 1.0000 -11.295 Hg,gas 0.2348E-09 0.7948E-09 1.0000 -9.100 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: 30.690700 % Solid products produced: Mass = 0.390072 g Volume = 0.147314 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 -0.74476E-11 2 CO2,gas -8.13 -8.13 -0.00 -0.000 0.33420E-11 3 CH4,gas 3.46 3.46 -0.00 -0.000 0.66839E-11 4 H2,gas 6.13 6.13 -0.00 -0.000 0.16710E-11 5 H2S,gas -7.50 -7.50 0.00 0.000 -0.33420E-11 6 CO,gas 1.02 1.02 0.00 0.000 0.00000E+00 7 SO2,gas -2.05 -2.05 -0.00 -0.000 0.16710E-11 8 HF,gas -1.66 -1.66 0.00 0.000 -0.25065E-11 9 HCl,gas 2.89 2.89 -0.00 -0.000 0.16710E-11 10 Hg,gas -11.67 -11.67 -0.00 -0.000 0.10026E-10 112 microcline -3.24 -3.24 0.00 0.000 -0.58484E-11 143 quartz -2.74 -2.74 0.00 0.000 0.00000E+00 196 bornite -81.49 -81.49 0.00 0.000 -0.26736E-10 247 galena -11.30 -11.30 0.00 0.000 0.00000E+00 258 sphalerite -10.12 -10.12 -0.00 -0.000 0.66839E-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 -0.56 -2.34 -1.78 -0.137 0.33483E+04 16 albite -1.46 -2.34 -0.88 -0.068 0.16627E+04 20 analcite 1.98 0.39 -1.59 -0.177 0.29899E+04 21 andalusite 1.96 -2.92 -4.87 -0.487 0.91686E+04 23 grossular 26.87 21.88 -4.99 -0.249 0.93802E+04 24 anhydrite -6.02 -10.78 -4.76 -2.379 0.89528E+04 27 phlogopite 22.51 20.50 -2.01 -0.111 0.37724E+04 29 anorthite 8.65 4.44 -4.22 -0.324 0.79303E+04 32 aragonite 0.43 -0.02 -0.45 -0.151 0.85397E+03 33 brucite 11.18 7.91 -3.26 -0.652 0.61379E+04 34 calcite 0.28 -0.02 -0.30 -0.099 0.55934E+03 35 carnegieite-low 7.15 3.13 -4.02 -0.574 0.75636E+04 36 carnegieite-high 8.04 3.13 -4.92 -0.702 0.92470E+04 37 carpholite-Mg 5.23 2.26 -2.97 -0.198 0.55954E+04 39 celadonite 3.76 1.94 -1.82 -0.107 0.34241E+04 41 chrysotile 20.82 18.27 -2.55 -0.213 0.47976E+04 43 chlorite-Al-free 41.12 36.53 -4.58 -0.191 0.86184E+04 44 chloritoid-Mg 9.23 5.00 -4.24 -0.283 0.79754E+04 48 coesite -2.17 -2.74 -0.57 -0.189 0.10649E+04 55 cristobalite -2.38 -2.74 -0.35 -0.118 0.66728E+03 58 cymrite-K 0.61 -3.24 -3.84 -0.320 0.72330E+04 60 diaspore 1.49 -0.09 -1.58 -0.263 0.29710E+04 61 diamond -2.64 -5.17 -2.54 -0.725 0.47726E+04 62 diopside 14.10 12.53 -1.56 -0.156 0.29438E+04 64 dolomite,ordered -0.64 -2.22 -1.58 -0.263 0.29717E+04 66 enstatite 14.77 10.35 -4.41 -0.441 0.83038E+04 68 clinoenstatite 14.68 10.35 -4.33 -0.433 0.81389E+04 69 protoenstatite 15.25 10.35 -4.90 -0.490 0.92153E+04 71 clinozoisite 16.62 11.70 -4.92 -0.224 0.92630E+04 78 gibbsite 2.72 -0.09 -2.81 -0.402 0.52882E+04 79 glaucophane 17.92 13.58 -4.34 -0.117 0.81643E+04 82 graphite -3.06 -5.17 -2.11 -0.604 0.39766E+04 85 halite 1.48 -2.98 -4.46 -2.229 0.83876E+04 87 heulandite -7.84 -9.24 -1.41 -0.064 0.26468E+04 91 jadeite 2.90 0.39 -2.51 -0.251 0.47199E+04 93 kalsilite 5.92 2.23 -3.69 -0.527 0.69409E+04 94 kaolinite -3.35 -5.65 -2.31 -0.210 0.43368E+04 95 kyanite 1.89 -2.92 -4.81 -0.481 0.90485E+04 97 laumontite 0.33 -1.03 -1.36 -0.091 0.25641E+04 98 lawsonite 6.51 4.44 -2.07 -0.138 0.38955E+04 99 leucite 2.66 -0.50 -3.16 -0.316 0.59460E+04 101 lizardite 20.29 18.27 -2.02 -0.168 0.37999E+04 102 magnesite -0.06 -2.20 -2.14 -0.713 0.40241E+04 105 minnesotaite-Mg 17.59 12.80 -4.79 -0.282 0.90182E+04 116 muscovite -0.94 -3.42 -2.48 -0.146 0.46721E+04 117 paragonite 0.48 -2.53 -3.00 -0.177 0.56511E+04 118 nepheline 6.51 3.13 -3.39 -0.484 0.63689E+04 130 phlogopite-Na 24.72 21.39 -3.33 -0.185 0.62603E+04 132 prehnite 14.88 11.79 -3.09 -0.182 0.58103E+04 138 pyrite -20.34 -24.11 -3.78 -0.888 0.71024E+04 140 pyrrhotiteFe0.875 -6.17 -10.99 -4.83 -1.775 0.90824E+04 141 pyroxmangite 6.43 2.56 -3.87 -0.775 0.72896E+04 142 pyrophyllite -7.97 -11.13 -3.15 -0.197 0.59312E+04 148 rhodochrosite -1.40 -4.81 -3.42 -1.139 0.64306E+04 149 rhodonite 6.47 2.56 -3.91 -0.782 0.73590E+04 150 sanidine -2.14 -3.24 -1.10 -0.085 0.20677E+04 160 stilbite -8.64 -9.24 -0.60 -0.029 0.11333E+04 162 stilpnomelane-Mg 21.10 20.03 -1.07 -0.032 0.20117E+04 166 sulfur -8.84 -13.47 -4.63 -1.423 0.87023E+04 168 talc 13.89 12.80 -1.09 -0.064 0.20505E+04 175 topaz-H 1.97 -2.92 -4.88 -0.444 0.91885E+04 176 tridymite -2.43 -2.74 -0.31 -0.102 0.57755E+03 177 tremolite 41.14 37.86 -3.29 -0.089 0.61804E+04 185 wairakite 0.94 -1.03 -1.98 -0.116 0.37171E+04 186 walstromite 10.27 7.35 -2.92 -0.583 0.54874E+04 187 wollastonite 9.32 7.35 -1.97 -0.394 0.37052E+04 188 pseudo-wollastonite 9.79 7.35 -2.43 -0.487 0.45789E+04 189 zoisite 16.67 11.70 -4.97 -0.226 0.93481E+04 191 beidellite-Ca -4.32 -8.59 -4.26 -0.264 0.80194E+04 193 beidellite-K -4.04 -8.58 -4.54 -0.278 0.85402E+04 194 beidellite-Mg -4.50 -8.95 -4.45 -0.275 0.83663E+04 195 beidellite-Na -3.91 -8.29 -4.37 -0.268 0.82281E+04 198 chalcedony -2.57 -2.74 -0.17 -0.057 0.31898E+03 199 chalcocite -25.29 -25.65 -0.36 -0.089 0.67129E+03 200 covellite -18.28 -19.56 -1.28 -0.487 0.24037E+04 201 dawsonite 0.68 -4.25 -4.93 -0.616 0.92726E+04 202 montmorillonite-Ca -4.22 -6.82 -2.60 -0.161 0.48826E+04 203 montmorillonite-K -4.02 -6.81 -2.79 -0.171 0.52507E+04 204 montmorillonite-Mg -4.44 -7.18 -2.74 -0.169 0.51534E+04 205 montmorillonite-Na -3.86 -6.52 -2.66 -0.163 0.50015E+04 227 tobermorite 9.26 5.67 -3.59 -0.980 0.67569E+04 233 alabandite -1.51 -5.70 -4.20 -1.399 0.78976E+04 238 boehmite 2.80 -0.09 -2.89 -0.482 0.54387E+04 240 chalcopyrite -26.90 -30.20 -3.30 -0.613 0.62011E+04 243 copper,native -2.40 -6.09 -3.69 -1.284 0.69440E+04 244 dolomite,disordered -0.06 -2.22 -2.16 -0.360 0.40656E+04 246 fluorite -10.17 -11.98 -1.81 -0.602 0.33990E+04 255 silica-amorphous -1.96 -2.74 -0.77 -0.257 0.14509E+04 259 wurtzite -8.45 -10.12 -1.66 -0.555 0.31302E+04 261 an20ab80 0.34 -0.99 -1.33 -0.102 0.25065E+04 262 an25ab75 0.82 -0.65 -1.47 -0.113 0.27697E+04 263 an30ab70 1.31 -0.31 -1.62 -0.124 0.30431E+04 Calculations done for 138.0000 Deg. C; 3.3844 bar Enthalpies: Pure water 2.5067 kcal/mole H2O,gas 11.8165 kcal/mole CO2,gas 1.3612 kcal/mole CH4,gas 1.3165 kcal/mole Current solution 97.4180 Gas 199.1126 kcal Total current enthalpy 296.5306 kcal Starting enthalpy 296.5306 kcal Temperature changed by -2.000 degrees to 136.000 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 = 136.00 C Pressure = 3.19 bar Mixer fraction = 0.0000000 Total current enthalpy = 296.5306 KCAL Water: Moles liquid = 0.3869E+02 kg liquid = 0.6969E+00 Moles total = 0.5551E+02 kg total = 0.1000E+01 Activity = 1.0000 Stoichiometric ionic strength = .4805955E-01 Osmotic coef. = 0.9297 True ionic strength = .4738277E-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+ 0.44073E-07 -7.3558 0.34014E-07 -7.4683 0.77176E+00 -0.1125 2 H2O 0.99999E+00 -0.0000 0.99999E+00 -0.0000 3 Cl- 0.43527E-01 -1.3612 0.33206E-01 -1.4788 0.76289E+00 -0.1175 4 SO4-- 0.31547E-05 -5.5010 0.11512E-05 -5.9389 0.36491E+00 -0.4378 5 HCO3- 0.28930E-02 -2.5387 0.22156E-02 -2.6545 0.76583E+00 -0.1159 6 HS- 0.36690E-03 -3.4355 0.28001E-03 -3.5528 0.76319E+00 -0.1174 7 H4SiO4 0.17851E-02 -2.7483 0.17851E-02 -2.7483 0.10000E+01 0.0000 8 Al+++ 0.35176E-21 -21.4538 0.36057E-22 -22.4430 0.10250E+00 -0.9893 9 Ca++ 0.43358E-04 -4.3629 0.15553E-04 -4.8082 0.35871E+00 -0.4453 10 Mg++ 0.29188E-06 -6.5348 0.10350E-06 -6.9850 0.35461E+00 -0.4503 11 Fe++ 0.54840E-14 -14.2609 0.19501E-14 -14.7099 0.35560E+00 -0.4490 12 K+ 0.53225E-02 -2.2739 0.40794E-02 -2.3894 0.76644E+00 -0.1155 13 Na+ 0.41908E-01 -1.3777 0.31965E-01 -1.4953 0.76274E+00 -0.1176 14 Mn++ 0.67768E-09 -9.1690 0.24149E-09 -9.6171 0.35634E+00 -0.4481 15 Zn++ 0.25511E-13 -13.5933 0.90715E-14 -14.0423 0.35560E+00 -0.4490 16 Cu+ 0.19974E-14 -14.6995 0.15233E-14 -14.8172 0.76264E+00 -0.1177 17 Pb++ 0.15313E-14 -14.8150 0.55330E-15 -15.2570 0.36134E+00 -0.4421 18 Hg++ 0.48231E-38 -38.3167 0.17367E-38 -38.7603 0.36008E+00 -0.4436 19 F- 0.34646E-03 -3.4604 0.26267E-03 -3.5806 0.75816E+00 -0.1202 21 HSiO3- 0.88025E-04 -4.0554 0.67153E-04 -4.1729 0.76289E+00 -0.1175 22 Ca(HSiO3)+ 0.59333E-07 -7.2267 0.45500E-07 -7.3420 0.76685E+00 -0.1153 23 Mg(HSiO3)+ 0.42390E-09 -9.3727 0.32507E-09 -9.4880 0.76685E+00 -0.1153 24 NaHSiO3,aq 0.25857E-04 -4.5874 0.25857E-04 -4.5874 0.10000E+01 0.0000 27 HAlO2,aq 0.11799E-08 -8.9282 0.11799E-08 -8.9282 0.10000E+01 0.0000 28 AlO2- 0.24800E-06 -6.6056 0.18819E-06 -6.7254 0.75883E+00 -0.1199 29 CH4,aq 0.52199E-06 -6.2823 0.51441E-06 -6.2887 0.98548E+00 -0.0064 35 CO2,aq 0.27618E-03 -3.5588 0.27217E-03 -3.5652 0.98548E+00 -0.0064 36 CO3-2 0.12685E-04 -4.8967 0.46051E-05 -5.3368 0.36305E+00 -0.4400 37 CaCO3,aq 0.24371E-05 -5.6131 0.24371E-05 -5.6131 0.10000E+01 0.0000 38 Ca(HCO3)+ 0.23329E-05 -5.6321 0.17890E-05 -5.7474 0.76685E+00 -0.1153 39 CaCl+ 0.23545E-05 -5.6281 0.18056E-05 -5.7434 0.76685E+00 -0.1153 40 CaCl2,aq 0.15287E-07 -7.8157 0.15287E-07 -7.8157 0.10000E+01 0.0000 41 CaF+ 0.17105E-06 -6.7669 0.13117E-06 -6.8822 0.76685E+00 -0.1153 42 CaOH+ 0.36089E-06 -6.4426 0.27675E-06 -6.5579 0.76685E+00 -0.1153 43 CaSO4,aq 0.10974E-07 -7.9596 0.10974E-07 -7.9596 0.10000E+01 0.0000 44 HCl,aq 0.28520E-09 -9.5448 0.28520E-09 -9.5448 0.10000E+01 0.0000 61 HF,aq 0.14107E-06 -6.8506 0.14107E-06 -6.8506 0.10000E+01 0.0000 62 HF2- 0.17039E-10 -10.7686 0.12999E-10 -10.8861 0.76289E+00 -0.1175 76 H2,aq 0.66431E-06 -6.1776 0.65466E-06 -6.1840 0.98548E+00 -0.0064 90 KCl,aq 0.55712E-05 -5.2540 0.55712E-05 -5.2540 0.10000E+01 0.0000 92 KOH,aq 0.21253E-06 -6.6726 0.21253E-06 -6.6726 0.10000E+01 0.0000 93 KSO4- 0.16283E-06 -6.7883 0.12422E-06 -6.9058 0.76289E+00 -0.1175 94 MgCO3,aq 0.32385E-08 -8.4897 0.32385E-08 -8.4897 0.10000E+01 0.0000 95 Mg(HCO3)+ 0.15788E-07 -7.8017 0.12107E-07 -7.9170 0.76685E+00 -0.1153 96 MgCl+ 0.11936E-07 -7.9231 0.91533E-08 -8.0384 0.76685E+00 -0.1153 97 MgF+ 0.38777E-08 -8.4114 0.29736E-08 -8.5267 0.76685E+00 -0.1153 98 MgOH+ 0.10547E-07 -7.9769 0.80883E-08 -8.0921 0.76685E+00 -0.1153 102 MnOH+ 0.14302E-09 -9.8446 0.10968E-09 -9.9599 0.76685E+00 -0.1153 107 MnCl+ 0.19882E-09 -9.7015 0.15246E-09 -9.8168 0.76685E+00 -0.1153 109 NaCl,aq 0.54318E-03 -3.2651 0.54318E-03 -3.2651 0.10000E+01 0.0000 110 NaF,aq 0.31876E-05 -5.4965 0.31876E-05 -5.4965 0.10000E+01 0.0000 111 NaOH,aq 0.14224E-05 -5.8470 0.14224E-05 -5.8470 0.10000E+01 0.0000 113 OH- 0.65273E-04 -4.1853 0.49531E-04 -4.3051 0.75883E+00 -0.1199 124 Pb(HS)2,aq 0.15254E-09 -9.8166 0.15254E-09 -9.8166 0.10000E+01 0.0000 126 H2S,aq 0.31855E-04 -4.4968 0.31392E-04 -4.5032 0.98548E+00 -0.0064 127 S2-2 0.52830E-10 -10.2771 0.19180E-10 -10.7172 0.36305E+00 -0.4400 135 HSO4- 0.16845E-09 -9.7735 0.12946E-09 -9.8878 0.76857E+00 -0.1143 154 ZnOH+ 0.17151E-10 -10.7657 0.13152E-10 -10.8810 0.76685E+00 -0.1153 164 Cu(HS)2- 0.30748E-07 -7.5122 0.23458E-07 -7.6297 0.76289E+00 -0.1175 166 CuH4S3-b 0.12296E-08 -8.9102 0.93804E-09 -9.0278 0.76289E+00 -0.1175 179 MgSO4,aq 0.28372E-09 -9.5471 0.28372E-09 -9.5471 0.10000E+01 0.0000 180 MnCl2,aq 0.17442E-10 -10.7584 0.17442E-10 -10.7584 0.10000E+01 0.0000 182 MnCO3,aq 0.28848E-08 -8.5399 0.28848E-08 -8.5399 0.10000E+01 0.0000 183 NaCO3- 0.38188E-05 -5.4181 0.29133E-05 -5.5356 0.76289E+00 -0.1175 184 NaHCO3,aq 0.28565E-04 -4.5442 0.28565E-04 -4.5442 0.10000E+01 0.0000 185 NaHS,aq 0.36102E-05 -5.4425 0.36102E-05 -5.4425 0.10000E+01 0.0000 186 NaSO4- 0.56226E-06 -6.2501 0.42894E-06 -6.3676 0.76289E+00 -0.1175 187 PbCO3,aq 0.37888E-10 -10.4215 0.37888E-10 -10.4215 0.10000E+01 0.0000 193 Zn(HS)2,aq 0.13176E-08 -8.8802 0.13176E-08 -8.8802 0.10000E+01 0.0000 194 Zn(HS)3- 0.36843E-10 -10.4336 0.28107E-10 -10.5512 0.76289E+00 -0.1175 Charge balance for all species = 0.3447E-07 Component Molality Aq.molality ppm log[A(N)/A(H+)**Z] (total) 1 H+ 0.4407341E-07 0.1068944E-03 0.1074057E+00 0.0000 2 H2O 0.1000000E+01 0.5550793E+02 0.9968599E+06 0.0000 3 Cl- 0.4352712E-01 0.4407826E-01 0.1557812E+04 5.9896 4 SO4-- 0.3154743E-05 0.3203201E-05 0.3067409E+00 8.9978 5 HCO3- 0.2892993E-02 0.3219559E-02 0.1958332E+03 4.8138 6 HS- 0.3668971E-03 0.4031184E-03 0.1329017E+02 3.9155 7 H4SiO4 0.1785099E-02 0.1899041E-02 0.1819554E+03 -2.7483 8 Al+++ 0.3517603E-21 0.2491769E-06 0.6702107E-02 -0.0380 9 Ca++ 0.4335805E-04 0.5110009E-04 0.2041575E+01 10.1285 10 Mg++ 0.2918794E-06 0.3379749E-06 0.8191111E-02 7.9516 11 Fe++ 0.5484049E-14 0.1955427E-13 0.1088627E-08 0.2267 12 K+ 0.5322472E-02 0.5328419E-02 0.2076992E+03 5.0789 13 Na+ 0.4190816E-01 0.4251836E-01 0.9744270E+03 5.9730 14 Mn++ 0.6776778E-09 0.3932046E-08 0.2153421E-03 5.3196 15 Zn++ 0.2551059E-13 0.1373069E-08 0.8947636E-04 0.8944 16 Cu+ 0.1997437E-14 0.3197853E-07 0.2025552E-02 -7.3489 17 Pb++ 0.1531260E-14 0.1922753E-09 0.3971275E-04 -0.3204 18 Hg++ 0.4823124E-38 0.4095196E-11 0.8188824E-06 -23.8236 19 F- 0.3464566E-03 0.3499602E-03 0.6627720E+01 3.8878 Component Tot moles Aq. moles Solid moles Gas moles 1 H+ 0.1822172E+00 0.7449961E-04 -.8368428E-05 0.1821511E+00 2 H2O 0.5550825E+02 0.3868603E+02 -.1305948E-01 0.1683528E+02 3 Cl- 0.3072017E-01 0.3072017E-01 0.0000000E+00 0.2322870E-10 4 SO4-- -.4257700E-02 0.2232458E-05 0.1002170E-08 -.4259933E-02 5 HCO3- 0.1832100E+00 0.2243859E-02 0.0000000E+00 0.1809661E+00 6 HS- 0.9985820E-02 0.2809517E-03 0.5637630E-07 0.9704812E-02 7 H4SiO4 0.7855346E-02 0.1323529E-02 0.6531817E-02 0.0000000E+00 8 Al+++ 0.2253680E-05 0.1736628E-06 0.2080017E-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 0.0000000E+00 0.0000000E+00 11 Fe++ 0.8017372E-08 0.1362827E-13 0.8017358E-08 0.0000000E+00 12 K+ 0.3715700E-02 0.3713620E-02 0.2080017E-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 0.0000000E+00 0.0000000E+00 15 Zn++ 0.1530000E-07 0.9569546E-09 0.1434305E-07 0.0000000E+00 16 Cu+ 0.6237410E-07 0.2228731E-07 0.4008679E-07 0.0000000E+00 17 Pb++ 0.1110000E-07 0.1340055E-09 0.1096599E-07 0.0000000E+00 18 Hg++ 0.4000000E-08 0.2854130E-11 0.0000000E+00 0.3997146E-08 19 F- 0.2439100E-03 0.2439034E-03 0.0000000E+00 0.6620571E-08 Chg. balance for solid moles: -.1883E-16 Mass of aqueous solution: 0.699136E+03 g Temperature = 136.00 C Pressure = 3.19 bar Mixer frac. = 0.0000000 Log Log Vol Gas or mineral Moles Moles Grams Grams Wt.% (cm3) H2O,gas 17.01 1.231 306.3 2.486 97.43 0.1753E+06 CO2,gas 0.1776 -0.750 7.817 0.893 2.487 1920. CH4,gas 0.3342E-02 -2.476 0.5361E-01 -1.271 0.1706E-01 36.62 H2,gas 0.3670E-02 -2.435 0.7414E-02 -2.130 0.2359E-02 39.15 H2S,gas 0.5445E-02 -2.264 0.1856 -0.732 0.5903E-01 57.44 CO,gas 0.3423E-07 -7.466 0.9588E-06 -6.018 0.3050E-06 0.3646E-03 SO2,gas 0.6517E-15 -15.186 0.4175E-13 -13.379 0.1328E-13 0.6941E-11 HF,gas 0.6621E-08 -8.179 0.1324E-06 -6.878 0.4212E-07 0.7052E-04 HCl,gas 0.2323E-10 -10.634 0.8469E-09 -9.072 0.2694E-09 0.2474E-06 Hg,gas 0.3997E-08 -8.398 0.8018E-06 -6.096 0.2551E-06 0.4257E-04 microcline 0.2080E-05 -5.682 0.5790E-03 -3.237 0.1474 0.2262E-03 quartz 0.6526E-02 -2.185 0.3921 -0.407 99.85 0.1481 bornite 0.8017E-08 -8.096 0.4023E-05 -5.395 0.1025E-02 0.7915E-06 galena 0.1097E-07 -7.960 0.2624E-05 -5.581 0.6682E-03 0.3453E-06 sphalerite 0.1434E-07 -7.843 0.1397E-05 -5.855 0.3559E-03 0.3418E-06 Partial press. Fugacity coef Log fugacity Gas or Mineral Mole fraction or activity Activity coef Log activity H2O,gas 0.9889E+00 0.3159E+01 0.9687 0.486 CO2,gas 0.1033E-01 0.3299E-01 1.0133 -1.476 CH4,gas 0.1944E-03 0.6208E-03 1.0283 -3.195 H2,gas 0.2134E-03 0.6817E-03 1.0016 -3.166 H2S,gas 0.3166E-03 0.1011E-02 0.9904 -2.999 CO,gas 0.1991E-08 0.6357E-08 1.0000 -8.197 SO2,gas 0.3790E-16 0.1210E-15 1.0000 -15.917 HF,gas 0.3850E-09 0.1230E-08 1.0000 -8.910 HCl,gas 0.1351E-11 0.4314E-11 1.0000 -11.365 Hg,gas 0.2324E-09 0.7424E-09 1.0000 -9.129 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: 31.004023 % Solid products produced: Mass = 0.392644 g Volume = 0.148285 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 -0.74309E-11 2 CO2,gas -8.14 -8.14 -0.00 -0.000 0.33257E-11 3 CH4,gas 3.43 3.43 -0.00 -0.000 0.74828E-11 4 H2,gas 6.13 6.13 0.00 0.000 -0.16629E-11 5 H2S,gas -7.52 -7.52 0.00 0.000 -0.16629E-11 6 CO,gas 1.04 1.04 0.00 0.000 -0.83143E-12 7 SO2,gas -1.99 -1.99 0.00 0.000 -0.49886E-11 8 HF,gas -1.63 -1.63 0.00 0.000 0.00000E+00 9 HCl,gas 2.92 2.92 -0.00 -0.000 0.16629E-11 10 Hg,gas -11.73 -11.73 -0.00 -0.000 0.99771E-11 112 microcline -3.20 -3.20 -0.00 -0.000 0.66514E-11 143 quartz -2.75 -2.75 0.00 0.000 0.00000E+00 196 bornite -81.83 -81.83 0.00 0.000 0.00000E+00 247 galena -11.34 -11.34 0.00 0.000 -0.33257E-11 258 sphalerite -10.13 -10.13 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 15 albite-high -0.51 -2.31 -1.80 -0.139 0.33764E+04 16 albite -1.41 -2.31 -0.90 -0.069 0.16828E+04 20 analcite 2.04 0.44 -1.60 -0.178 0.30037E+04 21 andalusite 2.10 -2.82 -4.93 -0.493 0.92211E+04 24 anhydrite -5.99 -10.75 -4.76 -2.380 0.89127E+04 27 phlogopite 22.72 20.65 -2.07 -0.115 0.38755E+04 29 anorthite 8.84 4.56 -4.29 -0.330 0.80298E+04 32 aragonite 0.46 0.01 -0.46 -0.152 0.85296E+03 33 brucite 11.24 7.95 -3.29 -0.658 0.61595E+04 34 calcite 0.30 0.01 -0.30 -0.100 0.55962E+03 35 carnegieite-low 7.24 3.19 -4.05 -0.578 0.75811E+04 36 carnegieite-high 8.14 3.19 -4.95 -0.707 0.92721E+04 37 carpholite-Mg 5.39 2.38 -3.01 -0.201 0.56414E+04 39 celadonite 3.83 2.00 -1.83 -0.108 0.34322E+04 41 chrysotile 20.96 18.36 -2.60 -0.217 0.48748E+04 43 chlorite-Al-free 41.40 36.72 -4.68 -0.195 0.87685E+04 44 chloritoid-Mg 9.42 5.13 -4.30 -0.286 0.80424E+04 48 coesite -2.18 -2.75 -0.57 -0.189 0.10642E+04 55 cristobalite -2.39 -2.75 -0.36 -0.119 0.67020E+03 58 cymrite-K 0.66 -3.20 -3.86 -0.322 0.72274E+04 60 diaspore 1.55 -0.04 -1.59 -0.265 0.29813E+04 61 diamond -2.66 -5.20 -2.54 -0.725 0.47513E+04 62 diopside 14.20 12.58 -1.61 -0.161 0.30173E+04 64 dolomite,ordered -0.58 -2.17 -1.59 -0.265 0.29728E+04 66 enstatite 14.89 10.41 -4.48 -0.448 0.83866E+04 68 clinoenstatite 14.80 10.41 -4.39 -0.439 0.82216E+04 69 protoenstatite 15.37 10.41 -4.97 -0.497 0.93002E+04 78 gibbsite 2.78 -0.04 -2.82 -0.403 0.52842E+04 79 glaucophane 18.15 13.74 -4.42 -0.119 0.82682E+04 82 graphite -3.08 -5.20 -2.11 -0.604 0.39572E+04 85 halite 1.49 -2.97 -4.46 -2.230 0.83484E+04 87 heulandite -7.74 -9.19 -1.44 -0.066 0.26987E+04 91 jadeite 2.96 0.44 -2.52 -0.252 0.47249E+04 93 kalsilite 6.00 2.29 -3.71 -0.530 0.69434E+04 94 kaolinite -3.25 -5.57 -2.32 -0.211 0.43416E+04 95 kyanite 2.03 -2.82 -4.86 -0.486 0.90965E+04 97 laumontite 0.45 -0.94 -1.39 -0.093 0.25989E+04 98 lawsonite 6.66 4.56 -2.10 -0.140 0.39301E+04 99 leucite 2.73 -0.46 -3.18 -0.318 0.59577E+04 101 lizardite 20.43 18.36 -2.07 -0.172 0.38710E+04 102 magnesite -0.02 -2.17 -2.15 -0.717 0.40258E+04 105 minnesotaite-Mg 17.73 12.86 -4.87 -0.286 0.91150E+04 116 muscovite -0.77 -3.28 -2.51 -0.148 0.46990E+04 117 paragonite 0.66 -2.39 -3.04 -0.179 0.56939E+04 118 nepheline 6.60 3.19 -3.41 -0.487 0.63877E+04 130 phlogopite-Na 24.95 21.54 -3.41 -0.189 0.63830E+04 132 prehnite 15.09 11.94 -3.16 -0.186 0.59101E+04 138 pyrite -20.37 -24.28 -3.90 -0.919 0.73103E+04 140 pyrrhotiteFe0.875 -6.16 -11.13 -4.97 -1.828 0.93077E+04 141 pyroxmangite 6.48 2.57 -3.91 -0.782 0.73183E+04 142 pyrophyllite -7.89 -11.07 -3.18 -0.199 0.59555E+04 148 rhodochrosite -1.37 -4.80 -3.43 -1.143 0.64191E+04 149 rhodonite 6.52 2.57 -3.95 -0.789 0.73882E+04 150 sanidine -2.10 -3.20 -1.10 -0.085 0.20677E+04 160 stilbite -8.59 -9.19 -0.59 -0.028 0.11125E+04 162 stilpnomelane-Mg 21.39 20.23 -1.16 -0.035 0.21673E+04 166 sulfur -8.85 -13.48 -4.63 -1.425 0.86685E+04 168 talc 14.01 12.86 -1.15 -0.067 0.21450E+04 175 topaz-H 2.09 -2.82 -4.92 -0.447 0.92057E+04 176 tridymite -2.44 -2.75 -0.31 -0.103 0.57954E+03 177 tremolite 41.46 38.03 -3.43 -0.093 0.64252E+04 185 wairakite 1.08 -0.94 -2.02 -0.119 0.37867E+04 186 walstromite 10.33 7.38 -2.95 -0.590 0.55227E+04 187 wollastonite 9.38 7.38 -2.00 -0.400 0.37401E+04 188 pseudo-wollastonite 9.85 7.38 -2.47 -0.493 0.46161E+04 191 beidellite-Ca -4.20 -8.50 -4.31 -0.266 0.80604E+04 193 beidellite-K -3.92 -8.50 -4.57 -0.280 0.85648E+04 194 beidellite-Mg -4.37 -8.86 -4.49 -0.278 0.84084E+04 195 beidellite-Na -3.79 -8.20 -4.41 -0.270 0.82582E+04 198 chalcedony -2.58 -2.75 -0.17 -0.057 0.31894E+03 199 chalcocite -25.41 -25.72 -0.31 -0.077 0.57355E+03 200 covellite -18.36 -19.60 -1.25 -0.474 0.23312E+04 201 dawsonite 0.73 -4.19 -4.92 -0.615 0.92046E+04 202 montmorillonite-Ca -4.13 -6.76 -2.63 -0.163 0.49206E+04 203 montmorillonite-K -3.94 -6.76 -2.82 -0.173 0.52744E+04 204 montmorillonite-Mg -4.35 -7.12 -2.77 -0.172 0.51923E+04 205 montmorillonite-Na -3.78 -6.46 -2.69 -0.164 0.50288E+04 227 tobermorite 9.29 5.69 -3.60 -0.982 0.67364E+04 233 alabandite -1.48 -5.70 -4.22 -1.408 0.79057E+04 238 boehmite 2.88 -0.04 -2.91 -0.486 0.54566E+04 240 chalcopyrite -26.98 -30.40 -3.41 -0.635 0.63920E+04 243 copper,native -2.43 -6.12 -3.69 -1.283 0.69045E+04 244 dolomite,disordered 0.01 -2.17 -2.18 -0.363 0.40721E+04 246 fluorite -10.16 -11.97 -1.81 -0.603 0.33894E+04 255 silica-amorphous -1.97 -2.75 -0.78 -0.259 0.14546E+04 259 wurtzite -8.45 -10.13 -1.67 -0.557 0.31305E+04 261 an20ab80 0.42 -0.94 -1.36 -0.105 0.25445E+04 262 an25ab75 0.91 -0.59 -1.50 -0.116 0.28120E+04 263 an30ab70 1.40 -0.25 -1.65 -0.127 0.30894E+04 Calculations done for 136.0000 Deg. C; 3.1938 bar Enthalpies: Pure water 2.4693 kcal/mole H2O,gas 11.8053 kcal/mole CO2,gas 1.3360 kcal/mole CH4,gas 1.2917 kcal/mole Current solution 95.5296 Gas 201.0010 kcal Total current enthalpy 296.5306 kcal Starting enthalpy 296.5306 kcal Temperature changed by -2.000 degrees to 134.000 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 = 8 Loop limit = 200 Temperature = 134.00 C Pressure = 3.01 bar Mixer fraction = 0.0000000 Total current enthalpy = 296.5306 KCAL Water: Moles liquid = 0.3851E+02 kg liquid = 0.6938E+00 Moles total = 0.5551E+02 kg total = 0.1000E+01 Activity = 1.0000 Stoichiometric ionic strength = .4826898E-01 Osmotic coef. = 0.9301 True ionic strength = .4760933E-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+ 0.42360E-07 -7.3730 0.32725E-07 -7.4851 0.77255E+00 -0.1121 2 H2O 0.99999E+00 -0.0000 0.99999E+00 -0.0000 3 Cl- 0.43735E-01 -1.3592 0.33399E-01 -1.4763 0.76367E+00 -0.1171 4 SO4-- 0.33650E-05 -5.4730 0.12327E-05 -5.9091 0.36634E+00 -0.4361 5 HCO3- 0.29126E-02 -2.5357 0.22328E-02 -2.6512 0.76658E+00 -0.1154 6 HS- 0.36215E-03 -3.4411 0.27667E-03 -3.5580 0.76397E+00 -0.1169 7 H4SiO4 0.17335E-02 -2.7611 0.17335E-02 -2.7611 0.10000E+01 0.0000 8 Al+++ 0.35114E-21 -21.4545 0.36321E-22 -22.4398 0.10344E+00 -0.9853 9 Ca++ 0.43699E-04 -4.3595 0.15738E-04 -4.8030 0.36015E+00 -0.4435 10 Mg++ 0.29444E-06 -6.5310 0.10484E-06 -6.9795 0.35608E+00 -0.4485 11 Fe++ 0.37426E-14 -14.4268 0.13363E-14 -14.8741 0.35706E+00 -0.4473 12 K+ 0.53469E-02 -2.2719 0.41020E-02 -2.3870 0.76717E+00 -0.1151 13 Na+ 0.42108E-01 -1.3756 0.32150E-01 -1.4928 0.76351E+00 -0.1172 14 Mn++ 0.65982E-09 -9.1806 0.23608E-09 -9.6269 0.35780E+00 -0.4464 15 Zn++ 0.24143E-13 -13.6172 0.86206E-14 -14.0645 0.35706E+00 -0.4473 16 Cu+ 0.18090E-14 -14.7426 0.13810E-14 -14.8598 0.76341E+00 -0.1172 17 Pb++ 0.13582E-14 -14.8670 0.49269E-15 -15.3074 0.36277E+00 -0.4404 18 Hg++ 0.39127E-38 -38.4075 0.14145E-38 -38.8494 0.36152E+00 -0.4419 19 F- 0.34811E-03 -3.4583 0.26423E-03 -3.5780 0.75902E+00 -0.1197 21 HSiO3- 0.87628E-04 -4.0574 0.66919E-04 -4.1745 0.76367E+00 -0.1171 22 Ca(HSiO3)+ 0.57541E-07 -7.2400 0.44167E-07 -7.3549 0.76758E+00 -0.1149 23 Mg(HSiO3)+ 0.41481E-09 -9.3822 0.31840E-09 -9.4970 0.76758E+00 -0.1149 24 NaHSiO3,aq 0.26246E-04 -4.5809 0.26246E-04 -4.5809 0.10000E+01 0.0000 27 HAlO2,aq 0.11017E-08 -8.9579 0.11017E-08 -8.9579 0.10000E+01 0.0000 28 AlO2- 0.22936E-06 -6.6395 0.17424E-06 -6.7589 0.75967E+00 -0.1194 29 CH4,aq 0.48482E-06 -6.3144 0.47776E-06 -6.3208 0.98544E+00 -0.0064 35 CO2,aq 0.25950E-03 -3.5859 0.25573E-03 -3.5922 0.98544E+00 -0.0064 36 CO3-2 0.13418E-04 -4.8723 0.48906E-05 -5.3106 0.36448E+00 -0.4383 37 CaCO3,aq 0.24746E-05 -5.6065 0.24746E-05 -5.6065 0.10000E+01 0.0000 38 Ca(HCO3)+ 0.22789E-05 -5.6423 0.17493E-05 -5.7571 0.76758E+00 -0.1149 39 CaCl+ 0.22901E-05 -5.6401 0.17579E-05 -5.7550 0.76758E+00 -0.1149 40 CaCl2,aq 0.14861E-07 -7.8279 0.14861E-07 -7.8279 0.10000E+01 0.0000 41 CaF+ 0.16616E-06 -6.7795 0.12754E-06 -6.8944 0.76758E+00 -0.1149 42 CaOH+ 0.34029E-06 -6.4681 0.26120E-06 -6.5830 0.76758E+00 -0.1149 43 CaSO4,aq 0.11439E-07 -7.9416 0.11439E-07 -7.9416 0.10000E+01 0.0000 44 HCl,aq 0.26945E-09 -9.5695 0.26945E-09 -9.5695 0.10000E+01 0.0000 61 HF,aq 0.13045E-06 -6.8846 0.13045E-06 -6.8846 0.10000E+01 0.0000 62 HF2- 0.15838E-10 -10.8003 0.12095E-10 -10.9174 0.76367E+00 -0.1171 76 H2,aq 0.60037E-06 -6.2216 0.59164E-06 -6.2279 0.98544E+00 -0.0064 90 KCl,aq 0.53953E-05 -5.2680 0.53953E-05 -5.2680 0.10000E+01 0.0000 92 KOH,aq 0.20700E-06 -6.6840 0.20700E-06 -6.6840 0.10000E+01 0.0000 93 KSO4- 0.16974E-06 -6.7702 0.12963E-06 -6.8873 0.76367E+00 -0.1171 94 MgCO3,aq 0.33323E-08 -8.4773 0.33323E-08 -8.4773 0.10000E+01 0.0000 95 Mg(HCO3)+ 0.15452E-07 -7.8110 0.11860E-07 -7.9259 0.76758E+00 -0.1149 96 MgCl+ 0.11728E-07 -7.9308 0.90022E-08 -8.0457 0.76758E+00 -0.1149 97 MgF+ 0.37875E-08 -8.4217 0.29072E-08 -8.5365 0.76758E+00 -0.1149 98 MgOH+ 0.10065E-07 -7.9972 0.77259E-08 -8.1121 0.76758E+00 -0.1149 102 MnOH+ 0.13354E-09 -9.8744 0.10250E-09 -9.9893 0.76758E+00 -0.1149 107 MnCl+ 0.18345E-09 -9.7365 0.14081E-09 -9.8514 0.76758E+00 -0.1149 109 NaCl,aq 0.53611E-03 -3.2708 0.53611E-03 -3.2708 0.10000E+01 0.0000 110 NaF,aq 0.31399E-05 -5.5031 0.31399E-05 -5.5031 0.10000E+01 0.0000 111 NaOH,aq 0.13968E-05 -5.8549 0.13968E-05 -5.8549 0.10000E+01 0.0000 113 OH- 0.64362E-04 -4.1914 0.48894E-04 -4.3107 0.75967E+00 -0.1194 124 Pb(HS)2,aq 0.13682E-09 -9.8639 0.13682E-09 -9.8639 0.10000E+01 0.0000 126 H2S,aq 0.30013E-04 -4.5227 0.29576E-04 -4.5291 0.98544E+00 -0.0064 127 S2-2 0.51240E-10 -10.2904 0.18676E-10 -10.7287 0.36448E+00 -0.4383 135 HSO4- 0.16217E-09 -9.7900 0.12476E-09 -9.9039 0.76929E+00 -0.1139 154 ZnOH+ 0.15218E-10 -10.8176 0.11681E-10 -10.9325 0.76758E+00 -0.1149 164 Cu(HS)2- 0.30797E-07 -7.5115 0.23519E-07 -7.6286 0.76367E+00 -0.1171 166 CuH4S3-b 0.13265E-08 -8.8773 0.10130E-08 -8.9944 0.76367E+00 -0.1171 179 MgSO4,aq 0.29553E-09 -9.5294 0.29553E-09 -9.5294 0.10000E+01 0.0000 180 MnCl2,aq 0.15651E-10 -10.8054 0.15651E-10 -10.8054 0.10000E+01 0.0000 182 MnCO3,aq 0.29481E-08 -8.5305 0.29481E-08 -8.5305 0.10000E+01 0.0000 183 NaCO3- 0.39940E-05 -5.3986 0.30501E-05 -5.5157 0.76367E+00 -0.1171 184 NaHCO3,aq 0.28399E-04 -4.5467 0.28399E-04 -4.5467 0.10000E+01 0.0000 185 NaHS,aq 0.35190E-05 -5.4536 0.35190E-05 -5.4536 0.10000E+01 0.0000 186 NaSO4- 0.59467E-06 -6.2257 0.45413E-06 -6.3428 0.76367E+00 -0.1171 187 PbCO3,aq 0.34497E-10 -10.4622 0.34497E-10 -10.4622 0.10000E+01 0.0000 193 Zn(HS)2,aq 0.12152E-08 -8.9154 0.12152E-08 -8.9154 0.10000E+01 0.0000 194 Zn(HS)3- 0.33428E-10 -10.4759 0.25528E-10 -10.5930 0.76367E+00 -0.1171 Charge balance for all species = 0.3462E-07 Component Molality Aq.molality ppm log[A(N)/A(H+)**Z] (total) 1 H+ 0.4235955E-07 0.8847840E-04 0.8890090E-01 0.0000 2 H2O 0.1000000E+01 0.5550794E+02 0.9968523E+06 0.0000 3 Cl- 0.4373505E-01 0.4427889E-01 0.1564890E+04 6.0089 4 SO4-- 0.3364989E-05 0.3506403E-05 0.3357730E+00 9.0611 5 HCO3- 0.2912649E-02 0.3223223E-02 0.1960545E+03 4.8340 6 HS- 0.3621469E-03 0.3963825E-03 0.1306800E+02 3.9271 7 H4SiO4 0.1733543E-02 0.1847476E-02 0.1770133E+03 -2.7611 8 Al+++ 0.3511430E-21 0.2304593E-06 0.6198614E-02 0.0155 9 Ca++ 0.4369873E-04 0.5133267E-04 0.2050851E+01 10.1672 10 Mg++ 0.2944382E-06 0.3395133E-06 0.8228328E-02 7.9908 11 Fe++ 0.3742621E-14 0.1293044E-13 0.7198590E-09 0.0962 12 K+ 0.5346879E-02 0.5352651E-02 0.2086422E+03 5.0981 13 Na+ 0.4210849E-01 0.4271188E-01 0.9788544E+03 5.9923 14 Mn++ 0.6598174E-09 0.3949943E-08 0.2163206E-03 5.3433 15 Zn++ 0.2414318E-13 0.1265137E-08 0.8244235E-04 0.9058 16 Cu+ 0.1809017E-14 0.3212405E-07 0.2034753E-02 -7.3747 17 Pb++ 0.1358159E-14 0.1729338E-09 0.3571766E-04 -0.3372 18 Hg++ 0.3912702E-38 0.3976382E-11 0.7951179E-06 -23.8791 19 F- 0.3481135E-03 0.3515538E-03 0.6657847E+01 3.9071 Component Tot moles Aq. moles Solid moles Gas moles 1 H+ 0.1822172E+00 0.6138527E-04 -.8423613E-05 0.1821643E+00 2 H2O 0.5550825E+02 0.3851076E+02 -.1314299E-01 0.1701064E+02 3 Cl- 0.3072017E-01 0.3072017E-01 0.0000000E+00 0.2111928E-10 4 SO4-- -.4257700E-02 0.2432701E-05 0.1002170E-08 -.4260134E-02 5 HCO3- 0.1832100E+00 0.2236234E-02 0.0000000E+00 0.1809738E+00 6 HS- 0.9985820E-02 0.2750055E-03 0.5646956E-07 0.9710758E-02 7 H4SiO4 0.7855346E-02 0.1281757E-02 0.6573589E-02 0.0000000E+00 8 Al+++ 0.2253680E-05 0.1598900E-06 0.2093790E-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 0.0000000E+00 0.0000000E+00 11 Fe++ 0.8017372E-08 0.8970988E-14 0.8017363E-08 0.0000000E+00 12 K+ 0.3715700E-02 0.3713606E-02 0.2093790E-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 0.0000000E+00 0.0000000E+00 15 Zn++ 0.1530000E-07 0.8777374E-09 0.1442226E-07 0.0000000E+00 16 Cu+ 0.6237410E-07 0.2228728E-07 0.4008682E-07 0.0000000E+00 17 Pb++ 0.1110000E-07 0.1199795E-09 0.1098002E-07 0.0000000E+00 18 Hg++ 0.4000000E-08 0.2758767E-11 0.0000000E+00 0.3997241E-08 19 F- 0.2439100E-03 0.2439039E-03 0.0000000E+00 0.6145788E-08 Chg. balance for solid moles: -.2496E-16 Mass of aqueous solution: 0.695974E+03 g Temperature = 134.00 C Pressure = 3.01 bar Mixer frac. = 0.0000000 Log Log Vol Gas or mineral Moles Moles Grams Grams Wt.% (cm3) H2O,gas 17.18 1.235 309.4 2.491 97.46 0.1871E+06 CO2,gas 0.1776 -0.751 7.817 0.893 2.462 2025. CH4,gas 0.3361E-02 -2.474 0.5391E-01 -1.268 0.1698E-01 38.81 H2,gas 0.3597E-02 -2.444 0.7265E-02 -2.139 0.2288E-02 40.48 H2S,gas 0.5451E-02 -2.264 0.1858 -0.731 0.5851E-01 60.70 CO,gas 0.3125E-07 -7.505 0.8754E-06 -6.058 0.2757E-06 0.3513E-03 SO2,gas 0.5612E-15 -15.251 0.3595E-13 -13.444 0.1132E-13 0.6308E-11 HF,gas 0.6146E-08 -8.211 0.1229E-06 -6.910 0.3871E-07 0.6907E-04 HCl,gas 0.2112E-10 -10.675 0.7700E-09 -9.114 0.2425E-09 0.2374E-06 Hg,gas 0.3997E-08 -8.398 0.8018E-06 -6.096 0.2525E-06 0.4493E-04 microcline 0.2094E-05 -5.679 0.5828E-03 -3.234 0.1475 0.2277E-03 quartz 0.6567E-02 -2.183 0.3946 -0.404 99.85 0.1490 bornite 0.8017E-08 -8.096 0.4023E-05 -5.395 0.1018E-02 0.7915E-06 galena 0.1098E-07 -7.959 0.2627E-05 -5.581 0.6648E-03 0.3457E-06 sphalerite 0.1442E-07 -7.841 0.1405E-05 -5.852 0.3556E-03 0.3436E-06 Partial press. Fugacity coef Log fugacity Gas or Mineral Mole fraction or activity Activity coef Log activity H2O,gas 0.9891E+00 0.2979E+01 0.9699 0.461 CO2,gas 0.1022E-01 0.3080E-01 1.0129 -1.506 CH4,gas 0.1935E-03 0.5827E-03 1.0271 -3.223 H2,gas 0.2070E-03 0.6236E-03 1.0015 -3.204 H2S,gas 0.3138E-03 0.9450E-03 0.9908 -3.029 CO,gas 0.1799E-08 0.5419E-08 1.0000 -8.266 SO2,gas 0.3231E-16 0.9731E-16 1.0000 -16.012 HF,gas 0.3538E-09 0.1066E-08 1.0000 -8.972 HCl,gas 0.1216E-11 0.3662E-11 1.0000 -11.436 Hg,gas 0.2301E-09 0.6931E-09 1.0000 -9.159 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: 31.315613 % Solid products produced: Mass = 0.395155 g Volume = 0.149234 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 -0.23909E-09 2 CO2,gas -8.15 -8.15 -0.00 -0.000 0.11583E-09 3 CH4,gas 3.40 3.40 -0.00 -0.000 0.21346E-09 4 H2,gas 6.14 6.14 -0.00 -0.000 0.82736E-11 5 H2S,gas -7.54 -7.54 0.00 0.000 -0.71153E-10 6 CO,gas 1.07 1.07 -0.00 -0.000 0.24821E-11 7 SO2,gas -1.93 -1.93 -0.00 -0.000 0.70326E-11 8 HF,gas -1.61 -1.61 -0.00 -0.000 0.12410E-11 9 HCl,gas 2.95 2.95 -0.00 -0.000 0.82736E-12 10 Hg,gas -11.78 -11.78 -0.00 -0.000 0.99283E-11 112 microcline -3.17 -3.17 -0.00 -0.000 0.49642E-11 143 quartz -2.76 -2.76 0.00 0.000 0.00000E+00 196 bornite -82.18 -82.18 0.00 0.000 0.00000E+00 247 galena -11.38 -11.38 0.00 0.000 -0.33094E-11 258 sphalerite -10.14 -10.14 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 15 albite-high -0.45 -2.28 -1.83 -0.141 0.34047E+04 16 albite -1.36 -2.28 -0.91 -0.070 0.17030E+04 20 analcite 2.11 0.49 -1.62 -0.180 0.30178E+04 21 andalusite 2.25 -2.73 -4.98 -0.498 0.92738E+04 24 anhydrite -5.95 -10.71 -4.76 -2.381 0.88725E+04 27 phlogopite 22.94 20.80 -2.14 -0.119 0.39787E+04 29 anorthite 9.04 4.68 -4.36 -0.336 0.81294E+04 32 aragonite 0.49 0.03 -0.46 -0.152 0.85166E+03 33 brucite 11.31 7.99 -3.32 -0.664 0.61811E+04 34 calcite 0.33 0.03 -0.30 -0.100 0.55962E+03 35 carnegieite-low 7.33 3.25 -4.08 -0.583 0.75988E+04 36 carnegieite-high 8.24 3.25 -4.99 -0.713 0.92973E+04 37 carpholite-Mg 5.55 2.50 -3.05 -0.204 0.56877E+04 39 celadonite 3.91 2.06 -1.85 -0.109 0.34403E+04 41 chrysotile 21.11 18.45 -2.66 -0.222 0.49522E+04 43 chlorite-Al-free 41.69 36.90 -4.79 -0.199 0.89190E+04 44 chloritoid-Mg 9.61 5.26 -4.35 -0.290 0.81096E+04 48 coesite -2.19 -2.76 -0.57 -0.190 0.10635E+04 55 cristobalite -2.40 -2.76 -0.36 -0.120 0.67315E+03 58 cymrite-K 0.71 -3.17 -3.88 -0.323 0.72219E+04 60 diaspore 1.62 0.02 -1.61 -0.268 0.29917E+04 61 diamond -2.68 -5.22 -2.54 -0.725 0.47297E+04 62 diopside 14.29 12.64 -1.66 -0.166 0.30906E+04 64 dolomite,ordered -0.52 -2.11 -1.60 -0.266 0.29733E+04 66 enstatite 15.01 10.46 -4.55 -0.455 0.84694E+04 68 clinoenstatite 14.92 10.46 -4.46 -0.446 0.83043E+04 78 gibbsite 2.85 0.02 -2.83 -0.405 0.52805E+04 79 glaucophane 18.39 13.90 -4.49 -0.121 0.83724E+04 82 graphite -3.10 -5.22 -2.11 -0.604 0.39375E+04 85 halite 1.49 -2.97 -4.46 -2.230 0.83090E+04 87 heulandite -7.65 -9.13 -1.48 -0.067 0.27510E+04 91 jadeite 3.02 0.49 -2.54 -0.254 0.47299E+04 93 kalsilite 6.08 2.35 -3.73 -0.533 0.69460E+04 94 kaolinite -3.16 -5.49 -2.33 -0.212 0.43469E+04 95 kyanite 2.18 -2.73 -4.91 -0.491 0.91446E+04 97 laumontite 0.57 -0.85 -1.41 -0.094 0.26341E+04 98 lawsonite 6.80 4.68 -2.13 -0.142 0.39649E+04 99 leucite 2.80 -0.41 -3.20 -0.320 0.59695E+04 101 lizardite 20.57 18.45 -2.12 -0.176 0.39424E+04 102 magnesite 0.02 -2.15 -2.16 -0.721 0.40273E+04 105 minnesotaite-Mg 17.87 12.93 -4.94 -0.291 0.92119E+04 116 muscovite -0.60 -3.14 -2.54 -0.149 0.47261E+04 117 paragonite 0.84 -2.24 -3.08 -0.181 0.57371E+04 118 nepheline 6.69 3.25 -3.44 -0.491 0.64067E+04 130 phlogopite-Na 25.19 21.70 -3.49 -0.194 0.65058E+04 132 prehnite 15.31 12.08 -3.23 -0.190 0.60100E+04 138 pyrite -20.41 -24.45 -4.03 -0.949 0.75162E+04 141 pyroxmangite 6.53 2.58 -3.94 -0.789 0.73477E+04 142 pyrophyllite -7.80 -11.01 -3.21 -0.201 0.59800E+04 148 rhodochrosite -1.35 -4.79 -3.44 -1.147 0.64081E+04 149 rhodonite 6.56 2.58 -3.98 -0.796 0.74182E+04 150 sanidine -2.06 -3.17 -1.11 -0.085 0.20677E+04 160 stilbite -8.54 -9.13 -0.59 -0.028 0.10922E+04 162 stilpnomelane-Mg 21.69 20.45 -1.25 -0.037 0.23233E+04 166 sulfur -8.87 -13.50 -4.63 -1.426 0.86346E+04 168 talc 14.13 12.93 -1.20 -0.071 0.22396E+04 175 topaz-H 2.22 -2.73 -4.95 -0.450 0.92233E+04 176 tridymite -2.45 -2.76 -0.31 -0.104 0.58152E+03 177 tremolite 41.78 38.20 -3.58 -0.097 0.66700E+04 185 wairakite 1.22 -0.85 -2.07 -0.122 0.38565E+04 186 walstromite 10.39 7.41 -2.98 -0.597 0.55580E+04 187 wollastonite 9.43 7.41 -2.03 -0.405 0.37748E+04 188 pseudo-wollastonite 9.90 7.41 -2.50 -0.500 0.46532E+04 191 beidellite-Ca -4.07 -8.42 -4.35 -0.269 0.81016E+04 193 beidellite-K -3.80 -8.41 -4.61 -0.282 0.85897E+04 194 beidellite-Mg -4.24 -8.78 -4.54 -0.281 0.84509E+04 195 beidellite-Na -3.67 -8.12 -4.45 -0.272 0.82886E+04 198 chalcedony -2.59 -2.76 -0.17 -0.057 0.31890E+03 199 chalcocite -25.54 -25.79 -0.26 -0.064 0.47643E+03 200 covellite -18.43 -19.65 -1.21 -0.462 0.22590E+04 201 dawsonite 0.78 -4.13 -4.90 -0.613 0.91369E+04 202 montmorillonite-Ca -4.04 -6.70 -2.66 -0.165 0.49588E+04 203 montmorillonite-K -3.86 -6.70 -2.84 -0.174 0.52982E+04 204 montmorillonite-Mg -4.25 -7.06 -2.81 -0.174 0.52313E+04 205 montmorillonite-Na -3.69 -6.40 -2.71 -0.166 0.50563E+04 227 tobermorite 9.31 5.71 -3.60 -0.984 0.67160E+04 233 alabandite -1.45 -5.70 -4.25 -1.416 0.79143E+04 238 boehmite 2.95 0.02 -2.94 -0.490 0.54747E+04 240 chalcopyrite -27.06 -30.59 -3.53 -0.657 0.65814E+04 243 copper,native -2.46 -6.15 -3.69 -1.282 0.68655E+04 244 dolomite,disordered 0.07 -2.11 -2.19 -0.365 0.40782E+04 246 fluorite -10.15 -11.96 -1.81 -0.605 0.33792E+04 255 silica-amorphous -1.98 -2.76 -0.78 -0.261 0.14584E+04 259 wurtzite -8.46 -10.14 -1.68 -0.560 0.31307E+04 261 an20ab80 0.50 -0.89 -1.39 -0.107 0.25825E+04 262 an25ab75 0.99 -0.54 -1.53 -0.118 0.28543E+04 263 an30ab70 1.49 -0.19 -1.68 -0.129 0.31359E+04 Calculations done for 134.0000 Deg. C; 3.0119 bar Enthalpies: Pure water 2.4320 kcal/mole H2O,gas 11.7939 kcal/mole CO2,gas 1.3110 kcal/mole CH4,gas 1.2671 kcal/mole Current solution 93.6596 Gas 202.8710 kcal Total current enthalpy 296.5306 kcal Starting enthalpy 296.5306 kcal Temperature changed by -2.000 degrees to 132.000 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 = 8 Loop limit = 200 Temperature = 132.00 C Pressure = 2.84 bar Mixer fraction = 0.0000000 Total current enthalpy = 296.5306 KCAL Water: Moles liquid = 0.3834E+02 kg liquid = 0.6906E+00 Moles total = 0.5551E+02 kg total = 0.1000E+01 Activity = 1.0000 Stoichiometric ionic strength = .4847972E-01 Osmotic coef. = 0.9304 True ionic strength = .4783651E-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+ 0.40688E-07 -7.3905 0.31466E-07 -7.5022 0.77334E+00 -0.1116 2 H2O 0.10000E+01 -0.0000 0.10000E+01 -0.0000 3 Cl- 0.43944E-01 -1.3571 0.33592E-01 -1.4738 0.76444E+00 -0.1167 4 SO4-- 0.35890E-05 -5.4450 0.13199E-05 -5.8795 0.36776E+00 -0.4344 5 HCO3- 0.29323E-02 -2.5328 0.22500E-02 -2.6478 0.76732E+00 -0.1150 6 HS- 0.35735E-03 -3.4469 0.27328E-03 -3.5634 0.76474E+00 -0.1165 7 H4SiO4 0.16830E-02 -2.7739 0.16830E-02 -2.7739 0.10000E+01 0.0000 8 Al+++ 0.35025E-21 -21.4556 0.36555E-22 -22.4371 0.10437E+00 -0.9814 9 Ca++ 0.44035E-04 -4.3562 0.15923E-04 -4.7980 0.36159E+00 -0.4418 10 Mg++ 0.29697E-06 -6.5273 0.10618E-06 -6.9740 0.35754E+00 -0.4467 11 Fe++ 0.25485E-14 -14.5937 0.91370E-15 -15.0392 0.35852E+00 -0.4455 12 K+ 0.53714E-02 -2.2699 0.41246E-02 -2.3846 0.76789E+00 -0.1147 13 Na+ 0.42309E-01 -1.3736 0.32336E-01 -1.4903 0.76427E+00 -0.1168 14 Mn++ 0.64152E-09 -9.1928 0.23047E-09 -9.6374 0.35925E+00 -0.4446 15 Zn++ 0.22822E-13 -13.6416 0.81821E-14 -14.0871 0.35852E+00 -0.4455 16 Cu+ 0.16355E-14 -14.7863 0.12498E-14 -14.9032 0.76417E+00 -0.1168 17 Pb++ 0.12023E-14 -14.9200 0.43787E-15 -15.3587 0.36419E+00 -0.4387 18 Hg++ 0.31629E-38 -38.4999 0.11480E-38 -38.9401 0.36295E+00 -0.4402 19 F- 0.34977E-03 -3.4562 0.26579E-03 -3.5755 0.75988E+00 -0.1193 21 HSiO3- 0.87188E-04 -4.0595 0.66650E-04 -4.1762 0.76444E+00 -0.1167 22 Ca(HSiO3)+ 0.55781E-07 -7.2535 0.42857E-07 -7.3680 0.76830E+00 -0.1145 23 Mg(HSiO3)+ 0.40576E-09 -9.3917 0.31174E-09 -9.5062 0.76830E+00 -0.1145 24 NaHSiO3,aq 0.26641E-04 -4.5744 0.26641E-04 -4.5744 0.10000E+01 0.0000 27 HAlO2,aq 0.10272E-08 -8.9883 0.10272E-08 -8.9883 0.10000E+01 0.0000 28 AlO2- 0.21187E-06 -6.6739 0.16113E-06 -6.7928 0.76051E+00 -0.1189 29 CH4,aq 0.45027E-06 -6.3465 0.44370E-06 -6.3529 0.98541E+00 -0.0064 35 CO2,aq 0.24383E-03 -3.6129 0.24027E-03 -3.6193 0.98541E+00 -0.0064 36 CO3-2 0.14193E-04 -4.8479 0.51936E-05 -5.2845 0.36592E+00 -0.4366 37 CaCO3,aq 0.25128E-05 -5.5998 0.25128E-05 -5.5998 0.10000E+01 0.0000 38 Ca(HCO3)+ 0.22266E-05 -5.6524 0.17107E-05 -5.7668 0.76830E+00 -0.1145 39 CaCl+ 0.22277E-05 -5.6522 0.17115E-05 -5.7666 0.76830E+00 -0.1145 40 CaCl2,aq 0.14455E-07 -7.8400 0.14455E-07 -7.8400 0.10000E+01 0.0000 41 CaF+ 0.16143E-06 -6.7920 0.12402E-06 -6.9065 0.76830E+00 -0.1145 42 CaOH+ 0.32063E-06 -6.4940 0.24634E-06 -6.6085 0.76830E+00 -0.1145 43 CaSO4,aq 0.11925E-07 -7.9235 0.11925E-07 -7.9235 0.10000E+01 0.0000 44 HCl,aq 0.25455E-09 -9.5942 0.25455E-09 -9.5942 0.10000E+01 0.0000 61 HF,aq 0.12056E-06 -6.9188 0.12056E-06 -6.9188 0.10000E+01 0.0000 62 HF2- 0.14712E-10 -10.8323 0.11246E-10 -10.9490 0.76444E+00 -0.1167 76 H2,aq 0.54218E-06 -6.2659 0.53427E-06 -6.2722 0.98541E+00 -0.0064 90 KCl,aq 0.52243E-05 -5.2820 0.52243E-05 -5.2820 0.10000E+01 0.0000 92 KOH,aq 0.20152E-06 -6.6957 0.20152E-06 -6.6957 0.10000E+01 0.0000 93 KSO4- 0.17698E-06 -6.7521 0.13529E-06 -6.8687 0.76444E+00 -0.1167 94 MgCO3,aq 0.34292E-08 -8.4648 0.34292E-08 -8.4648 0.10000E+01 0.0000 95 Mg(HCO3)+ 0.15124E-07 -7.8203 0.11619E-07 -7.9348 0.76830E+00 -0.1145 96 MgCl+ 0.11525E-07 -7.9384 0.88547E-08 -8.0528 0.76830E+00 -0.1145 97 MgF+ 0.36998E-08 -8.4318 0.28425E-08 -8.5463 0.76830E+00 -0.1145 98 MgOH+ 0.96001E-08 -8.0177 0.73757E-08 -8.1322 0.76830E+00 -0.1145 102 MnOH+ 0.12446E-09 -9.9050 0.95623E-10 -10.0194 0.76830E+00 -0.1145 107 MnCl+ 0.16904E-09 -9.7720 0.12988E-09 -9.8865 0.76830E+00 -0.1145 109 NaCl,aq 0.52919E-03 -3.2764 0.52919E-03 -3.2764 0.10000E+01 0.0000 110 NaF,aq 0.30931E-05 -5.5096 0.30931E-05 -5.5096 0.10000E+01 0.0000 111 NaOH,aq 0.13710E-05 -5.8630 0.13710E-05 -5.8630 0.10000E+01 0.0000 113 OH- 0.63428E-04 -4.1977 0.48237E-04 -4.3166 0.76051E+00 -0.1189 124 Pb(HS)2,aq 0.12261E-09 -9.9115 0.12261E-09 -9.9115 0.10000E+01 0.0000 126 H2S,aq 0.28275E-04 -4.5486 0.27862E-04 -4.5550 0.98541E+00 -0.0064 127 S2-2 0.49673E-10 -10.3039 0.18176E-10 -10.7405 0.36592E+00 -0.4366 135 HSO4- 0.15603E-09 -9.8068 0.12015E-09 -9.9203 0.77001E+00 -0.1135 154 ZnOH+ 0.13480E-10 -10.8703 0.10356E-10 -10.9848 0.76830E+00 -0.1145 164 Cu(HS)2- 0.30838E-07 -7.5109 0.23574E-07 -7.6276 0.76444E+00 -0.1167 166 CuH4S3-b 0.14312E-08 -8.8443 0.10941E-08 -8.9609 0.76444E+00 -0.1167 179 MgSO4,aq 0.30773E-09 -9.5118 0.30773E-09 -9.5118 0.10000E+01 0.0000 180 MnCl2,aq 0.14033E-10 -10.8528 0.14033E-10 -10.8528 0.10000E+01 0.0000 182 MnCO3,aq 0.30103E-08 -8.5214 0.30103E-08 -8.5214 0.10000E+01 0.0000 183 NaCO3- 0.41779E-05 -5.3790 0.31938E-05 -5.4957 0.76444E+00 -0.1167 184 NaHCO3,aq 0.28222E-04 -4.5494 0.28222E-04 -4.5494 0.10000E+01 0.0000 185 NaHS,aq 0.34277E-05 -5.4650 0.34277E-05 -5.4650 0.10000E+01 0.0000 186 NaSO4- 0.62895E-06 -6.2014 0.48080E-06 -6.3180 0.76444E+00 -0.1167 187 PbCO3,aq 0.31378E-10 -10.5034 0.31378E-10 -10.5034 0.10000E+01 0.0000 193 Zn(HS)2,aq 0.11200E-08 -8.9508 0.11200E-08 -8.9508 0.10000E+01 0.0000 194 Zn(HS)3- 0.30320E-10 -10.5183 0.23178E-10 -10.6349 0.76444E+00 -0.1167 Charge balance for all species = 0.3478E-07 Component Molality Aq.molality ppm log[A(N)/A(H+)**Z] (total) 1 H+ 0.4068780E-07 0.7117007E-04 0.7150934E-01 0.0000 2 H2O 0.1000000E+01 0.5550796E+02 0.9968446E+06 0.0000 3 Cl- 0.4394351E-01 0.4448019E-01 0.1571992E+04 6.0284 4 SO4-- 0.3589002E-05 0.3821524E-05 0.3659461E+00 9.1249 5 HCO3- 0.2932343E-02 0.3227973E-02 0.1963418E+03 4.8544 6 HS- 0.3573478E-03 0.3897048E-03 0.1284775E+02 3.9388 7 H4SiO4 0.1682955E-02 0.1796841E-02 0.1721604E+03 -2.7739 8 Al+++ 0.3502450E-21 0.2128988E-06 0.5726247E-02 0.0694 9 Ca++ 0.4403478E-04 0.5156605E-04 0.2060158E+01 10.2063 10 Mg++ 0.2969655E-06 0.3410568E-06 0.8265671E-02 8.0304 11 Fe++ 0.2548543E-14 0.8535648E-14 0.4751897E-09 -0.0349 12 K+ 0.5371365E-02 0.5376968E-02 0.2095883E+03 5.1175 13 Na+ 0.4230931E-01 0.4290607E-01 0.9832967E+03 6.0118 14 Mn++ 0.6415231E-09 0.3967901E-08 0.2173023E-03 5.3669 15 Zn++ 0.2282195E-13 0.1164926E-08 0.7591146E-04 0.9172 16 Cu+ 0.1635519E-14 0.3227007E-07 0.2043986E-02 -7.4010 17 Pb++ 0.1202312E-14 0.1554048E-09 0.3209697E-04 -0.3543 18 Hg++ 0.3162895E-38 0.3860085E-11 0.7718570E-06 -23.9357 19 F- 0.3497739E-03 0.3531527E-03 0.6688075E+01 3.9267 Component Tot moles Aq. moles Solid moles Gas moles 1 H+ 0.1822172E+00 0.4915348E-04 -.8475106E-05 0.1821765E+00 2 H2O 0.5550825E+02 0.3833647E+02 -.1322451E-01 0.1718500E+02 3 Cl- 0.3072017E-01 0.3072017E-01 0.0000000E+00 0.1918249E-10 4 SO4-- -.4257700E-02 0.2639329E-05 0.1002171E-08 -.4260340E-02 5 HCO3- 0.1832100E+00 0.2229394E-02 0.0000000E+00 0.1809806E+00 6 HS- 0.9985820E-02 0.2691489E-03 0.5655541E-07 0.9716614E-02 7 H4SiO4 0.7855346E-02 0.1240985E-02 0.6614361E-02 0.0000000E+00 8 Al+++ 0.2253680E-05 0.1470382E-06 0.2106642E-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 0.0000000E+00 0.0000000E+00 11 Fe++ 0.8017372E-08 0.5895131E-14 0.8017366E-08 0.0000000E+00 12 K+ 0.3715700E-02 0.3713593E-02 0.2106642E-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 0.0000000E+00 0.0000000E+00 15 Zn++ 0.1530000E-07 0.8045538E-09 0.1449545E-07 0.0000000E+00 16 Cu+ 0.6237410E-07 0.2228727E-07 0.4008683E-07 0.0000000E+00 17 Pb++ 0.1110000E-07 0.1073301E-09 0.1099267E-07 0.0000000E+00 18 Hg++ 0.4000000E-08 0.2665961E-11 0.0000000E+00 0.3997334E-08 19 F- 0.2439100E-03 0.2439043E-03 0.0000000E+00 0.5700432E-08 Chg. balance for solid moles: -.1718E-16 Mass of aqueous solution: 0.692829E+03 g Temperature = 132.00 C Pressure = 2.84 bar Mixer frac. = 0.0000000 Log Log Vol Gas or mineral Moles Moles Grams Grams Wt.% (cm3) H2O,gas 17.36 1.239 312.6 2.495 97.49 0.1999E+06 CO2,gas 0.1776 -0.751 7.816 0.893 2.438 2137. CH4,gas 0.3380E-02 -2.471 0.5421E-01 -1.266 0.1691E-01 41.16 H2,gas 0.3523E-02 -2.453 0.7116E-02 -2.148 0.2219E-02 41.87 H2S,gas 0.5456E-02 -2.263 0.1859 -0.731 0.5799E-01 64.18 CO,gas 0.2851E-07 -7.545 0.7986E-06 -6.098 0.2491E-06 0.3384E-03 SO2,gas 0.4825E-15 -15.317 0.3091E-13 -13.510 0.9639E-14 0.5726E-11 HF,gas 0.5700E-08 -8.244 0.1140E-06 -6.943 0.3556E-07 0.6765E-04 HCl,gas 0.1918E-10 -10.717 0.6994E-09 -9.155 0.2181E-09 0.2277E-06 Hg,gas 0.3997E-08 -8.398 0.8018E-06 -6.096 0.2501E-06 0.4744E-04 microcline 0.2107E-05 -5.676 0.5864E-03 -3.232 0.1475 0.2290E-03 quartz 0.6608E-02 -2.180 0.3970 -0.401 99.85 0.1499 bornite 0.8017E-08 -8.096 0.4023E-05 -5.395 0.1012E-02 0.7915E-06 galena 0.1099E-07 -7.959 0.2630E-05 -5.580 0.6615E-03 0.3461E-06 sphalerite 0.1450E-07 -7.839 0.1412E-05 -5.850 0.3552E-03 0.3454E-06 Partial press. Fugacity coef Log fugacity Gas or Mineral Mole fraction or activity Activity coef Log activity H2O,gas 0.9892E+00 0.2808E+01 0.9711 0.436 CO2,gas 0.1012E-01 0.2873E-01 1.0125 -1.536 CH4,gas 0.1926E-03 0.5467E-03 1.0260 -3.251 H2,gas 0.2008E-03 0.5699E-03 1.0014 -3.244 H2S,gas 0.3110E-03 0.8827E-03 0.9912 -3.058 CO,gas 0.1625E-08 0.4612E-08 1.0000 -8.336 SO2,gas 0.2750E-16 0.7805E-16 1.0000 -16.108 HF,gas 0.3249E-09 0.9222E-09 1.0000 -9.035 HCl,gas 0.1093E-11 0.3103E-11 1.0000 -11.508 Hg,gas 0.2278E-09 0.6467E-09 1.0000 -9.189 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: 31.625433 % Solid products produced: Mass = 0.397606 g Volume = 0.150159 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 -0.22095E-09 2 CO2,gas -8.16 -8.16 -0.00 -0.000 0.10538E-09 3 CH4,gas 3.37 3.37 -0.00 -0.000 0.19512E-09 4 H2,gas 6.15 6.15 -0.00 -0.000 0.11526E-10 5 H2S,gas -7.55 -7.55 0.00 0.000 -0.67510E-10 6 CO,gas 1.09 1.09 0.00 0.000 -0.45281E-11 7 SO2,gas -1.87 -1.87 -0.00 -0.000 0.28815E-11 8 HF,gas -1.59 -1.59 0.00 0.000 -0.45281E-11 9 HCl,gas 2.99 2.99 -0.00 -0.000 0.82330E-12 10 Hg,gas -11.84 -11.84 -0.00 -0.000 0.13173E-10 112 microcline -3.13 -3.13 -0.00 -0.000 0.98796E-11 143 quartz -2.77 -2.77 -0.00 -0.000 0.82330E-12 196 bornite -82.53 -82.53 0.00 0.000 -0.52691E-10 247 galena -11.42 -11.42 0.00 0.000 0.00000E+00 258 sphalerite -10.15 -10.15 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 15 albite-high -0.39 -2.24 -1.85 -0.142 0.34331E+04 16 albite -1.31 -2.24 -0.93 -0.072 0.17233E+04 20 analcite 2.17 0.53 -1.64 -0.182 0.30320E+04 24 anhydrite -5.91 -10.68 -4.76 -2.382 0.88321E+04 27 phlogopite 23.16 20.96 -2.20 -0.122 0.40819E+04 29 anorthite 9.24 4.80 -4.44 -0.341 0.82290E+04 32 aragonite 0.51 0.06 -0.46 -0.153 0.85007E+03 33 brucite 11.38 8.03 -3.35 -0.669 0.62029E+04 34 calcite 0.36 0.06 -0.30 -0.101 0.55934E+03 35 carnegieite-low 7.42 3.31 -4.11 -0.587 0.76166E+04 37 carpholite-Mg 5.71 2.62 -3.09 -0.206 0.57342E+04 39 celadonite 3.98 2.12 -1.86 -0.109 0.34485E+04 41 chrysotile 21.26 18.54 -2.71 -0.226 0.50297E+04 43 chlorite-Al-free 41.98 37.09 -4.89 -0.204 0.90697E+04 44 chloritoid-Mg 9.81 5.40 -4.41 -0.294 0.81771E+04 48 coesite -2.20 -2.77 -0.57 -0.191 0.10628E+04 55 cristobalite -2.41 -2.77 -0.36 -0.122 0.67614E+03 58 cymrite-K 0.76 -3.13 -3.89 -0.324 0.72165E+04 60 diaspore 1.69 0.07 -1.62 -0.270 0.30023E+04 61 diamond -2.70 -5.24 -2.54 -0.726 0.47078E+04 62 diopside 14.40 12.69 -1.71 -0.171 0.31639E+04 64 dolomite,ordered -0.46 -2.06 -1.60 -0.267 0.29734E+04 66 enstatite 15.13 10.51 -4.61 -0.461 0.85522E+04 68 clinoenstatite 15.04 10.51 -4.52 -0.452 0.83870E+04 78 gibbsite 2.92 0.07 -2.85 -0.407 0.52770E+04 79 glaucophane 18.63 14.06 -4.57 -0.124 0.84769E+04 82 graphite -3.13 -5.24 -2.11 -0.604 0.39175E+04 85 halite 1.50 -2.96 -4.46 -2.230 0.82693E+04 87 heulandite -7.56 -9.07 -1.51 -0.069 0.28039E+04 91 jadeite 3.09 0.53 -2.55 -0.255 0.47351E+04 93 kalsilite 6.16 2.41 -3.75 -0.535 0.69486E+04 94 kaolinite -3.06 -5.41 -2.35 -0.213 0.43525E+04 95 kyanite 2.32 -2.64 -4.96 -0.496 0.91929E+04 97 laumontite 0.69 -0.75 -1.44 -0.096 0.26695E+04 98 lawsonite 6.95 4.80 -2.16 -0.144 0.39999E+04 99 leucite 2.87 -0.36 -3.23 -0.323 0.59814E+04 101 lizardite 20.71 18.54 -2.17 -0.180 0.40138E+04 102 magnesite 0.05 -2.12 -2.17 -0.724 0.40285E+04 116 muscovite -0.43 -3.00 -2.56 -0.151 0.47534E+04 117 paragonite 1.02 -2.10 -3.12 -0.183 0.57806E+04 118 nepheline 6.77 3.31 -3.47 -0.495 0.64258E+04 130 phlogopite-Na 25.43 21.85 -3.58 -0.199 0.66288E+04 132 prehnite 15.53 12.23 -3.30 -0.194 0.61099E+04 138 pyrite -20.46 -24.62 -4.16 -0.980 0.77201E+04 141 pyroxmangite 6.57 2.59 -3.98 -0.796 0.73777E+04 142 pyrophyllite -7.72 -10.96 -3.24 -0.202 0.60047E+04 148 rhodochrosite -1.33 -4.78 -3.45 -1.150 0.63975E+04 149 rhodonite 6.61 2.59 -4.02 -0.804 0.74488E+04 150 sanidine -2.02 -3.13 -1.12 -0.086 0.20677E+04 160 stilbite -8.49 -9.07 -0.58 -0.028 0.10723E+04 162 stilpnomelane-Mg 22.00 20.66 -1.34 -0.040 0.24799E+04 166 sulfur -8.88 -13.52 -4.64 -1.427 0.86004E+04 168 talc 14.25 13.00 -1.26 -0.074 0.23342E+04 175 topaz-H 2.35 -2.64 -4.98 -0.453 0.92410E+04 176 tridymite -2.46 -2.77 -0.31 -0.105 0.58349E+03 177 tremolite 42.10 38.37 -3.73 -0.101 0.69147E+04 185 wairakite 1.37 -0.75 -2.12 -0.125 0.39265E+04 186 walstromite 10.45 7.43 -3.02 -0.603 0.55932E+04 187 wollastonite 9.49 7.43 -2.05 -0.411 0.38095E+04 188 pseudo-wollastonite 9.96 7.43 -2.53 -0.506 0.46902E+04 191 beidellite-Ca -3.94 -8.33 -4.39 -0.272 0.81431E+04 193 beidellite-K -3.68 -8.33 -4.65 -0.285 0.86147E+04 194 beidellite-Mg -4.11 -8.69 -4.58 -0.283 0.84935E+04 195 beidellite-Na -3.55 -8.03 -4.49 -0.275 0.83192E+04 198 chalcedony -2.60 -2.77 -0.17 -0.057 0.31887E+03 199 chalcocite -25.66 -25.87 -0.20 -0.051 0.37997E+03 200 covellite -18.51 -19.69 -1.18 -0.449 0.21872E+04 201 dawsonite 0.82 -4.07 -4.89 -0.612 0.90697E+04 202 montmorillonite-Ca -3.95 -6.65 -2.70 -0.167 0.49972E+04 203 montmorillonite-K -3.77 -6.64 -2.87 -0.176 0.53222E+04 204 montmorillonite-Mg -4.16 -7.00 -2.84 -0.176 0.52706E+04 205 montmorillonite-Na -3.60 -6.35 -2.74 -0.168 0.50840E+04 227 tobermorite 9.34 5.73 -3.61 -0.985 0.66957E+04 233 alabandite -1.42 -5.70 -4.27 -1.425 0.79234E+04 238 boehmite 3.03 0.07 -2.96 -0.494 0.54930E+04 240 chalcopyrite -27.14 -30.79 -3.65 -0.679 0.67693E+04 243 copper,native -2.49 -6.17 -3.68 -1.281 0.68270E+04 244 dolomite,disordered 0.14 -2.06 -2.20 -0.367 0.40838E+04 246 fluorite -10.13 -11.95 -1.82 -0.606 0.33686E+04 255 silica-amorphous -1.99 -2.77 -0.79 -0.263 0.14622E+04 259 wurtzite -8.46 -10.15 -1.69 -0.563 0.31310E+04 261 an20ab80 0.58 -0.83 -1.41 -0.109 0.26207E+04 262 an25ab75 1.08 -0.48 -1.56 -0.120 0.28967E+04 263 an30ab70 1.59 -0.13 -1.72 -0.132 0.31824E+04 Calculations done for 132.0000 Deg. C; 2.8384 bar Enthalpies: Pure water 2.3948 kcal/mole H2O,gas 11.7823 kcal/mole CO2,gas 1.2863 kcal/mole CH4,gas 1.2427 kcal/mole Current solution 91.8080 Gas 204.7226 kcal Total current enthalpy 296.5306 kcal Starting enthalpy 296.5306 kcal Temperature changed by -2.000 degrees to 130.000 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 = 8 Loop limit = 200 Temperature = 130.00 C Pressure = 2.67 bar Mixer fraction = 0.0000000 Total current enthalpy = 296.5306 KCAL Water: Moles liquid = 0.3816E+02 kg liquid = 0.6875E+00 Moles total = 0.5551E+02 kg total = 0.1000E+01 Activity = 1.0000 Stoichiometric ionic strength = .4869172E-01 Osmotic coef. = 0.9307 True ionic strength = .4806429E-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+ 0.39059E-07 -7.4083 0.30237E-07 -7.5195 0.77413E+00 -0.1112 2 H2O 0.10000E+01 -0.0000 0.10000E+01 -0.0000 3 Cl- 0.44152E-01 -1.3550 0.33786E-01 -1.4713 0.76521E+00 -0.1162 4 SO4-- 0.38277E-05 -5.4171 0.14131E-05 -5.8498 0.36917E+00 -0.4328 5 HCO3- 0.29521E-02 -2.5299 0.22673E-02 -2.6445 0.76805E+00 -0.1146 6 HS- 0.35250E-03 -3.4528 0.26984E-03 -3.5689 0.76550E+00 -0.1161 7 H4SiO4 0.16333E-02 -2.7869 0.16333E-02 -2.7869 0.10000E+01 0.0000 8 Al+++ 0.34907E-21 -21.4571 0.36758E-22 -22.4346 0.10530E+00 -0.9776 9 Ca++ 0.44366E-04 -4.3529 0.16106E-04 -4.7930 0.36302E+00 -0.4401 10 Mg++ 0.29946E-06 -6.5237 0.10751E-06 -6.9686 0.35900E+00 -0.4449 11 Fe++ 0.17317E-14 -14.7615 0.62338E-15 -15.2052 0.35997E+00 -0.4437 12 K+ 0.53959E-02 -2.2679 0.41474E-02 -2.3822 0.76861E+00 -0.1143 13 Na+ 0.42511E-01 -1.3715 0.32522E-01 -1.4878 0.76502E+00 -0.1163 14 Mn++ 0.62288E-09 -9.2056 0.22467E-09 -9.6484 0.36070E+00 -0.4429 15 Zn++ 0.21548E-13 -13.6666 0.77565E-14 -14.1103 0.35997E+00 -0.4437 16 Cu+ 0.14761E-14 -14.8309 0.11291E-14 -14.9473 0.76492E+00 -0.1164 17 Pb++ 0.10623E-14 -14.9737 0.38839E-15 -15.4107 0.36561E+00 -0.4370 18 Hg++ 0.25477E-38 -38.5938 0.92833E-39 -39.0323 0.36437E+00 -0.4385 19 F- 0.35144E-03 -3.4542 0.26735E-03 -3.5729 0.76073E+00 -0.1188 21 HSiO3- 0.86706E-04 -4.0620 0.66348E-04 -4.1782 0.76521E+00 -0.1162 22 Ca(HSiO3)+ 0.54056E-07 -7.2672 0.41569E-07 -7.3812 0.76901E+00 -0.1141 23 Mg(HSiO3)+ 0.39676E-09 -9.4015 0.30511E-09 -9.5155 0.76901E+00 -0.1141 24 NaHSiO3,aq 0.27042E-04 -4.5680 0.27042E-04 -4.5680 0.10000E+01 0.0000 27 HAlO2,aq 0.95640E-09 -9.0194 0.95640E-09 -9.0194 0.10000E+01 0.0000 28 AlO2- 0.19549E-06 -6.7089 0.14884E-06 -6.8273 0.76135E+00 -0.1184 29 CH4,aq 0.41815E-06 -6.3787 0.41204E-06 -6.3851 0.98538E+00 -0.0064 35 CO2,aq 0.22909E-03 -3.6400 0.22574E-03 -3.6464 0.98538E+00 -0.0064 36 CO3-2 0.15013E-04 -4.8235 0.55150E-05 -5.2585 0.36734E+00 -0.4349 37 CaCO3,aq 0.25518E-05 -5.5932 0.25518E-05 -5.5932 0.10000E+01 0.0000 38 Ca(HCO3)+ 0.21758E-05 -5.6624 0.16732E-05 -5.7765 0.76901E+00 -0.1141 39 CaCl+ 0.21670E-05 -5.6641 0.16665E-05 -5.7782 0.76901E+00 -0.1141 40 CaCl2,aq 0.14069E-07 -7.8517 0.14069E-07 -7.8517 0.10000E+01 0.0000 41 CaF+ 0.15685E-06 -6.8045 0.12062E-06 -6.9186 0.76901E+00 -0.1141 42 CaOH+ 0.30188E-06 -6.5202 0.23215E-06 -6.6342 0.76901E+00 -0.1141 43 CaSO4,aq 0.12433E-07 -7.9054 0.12433E-07 -7.9054 0.10000E+01 0.0000 44 HCl,aq 0.24045E-09 -9.6190 0.24045E-09 -9.6190 0.10000E+01 0.0000 61 HF,aq 0.11136E-06 -6.9533 0.11136E-06 -6.9533 0.10000E+01 0.0000 62 HF2- 0.13655E-10 -10.8647 0.10449E-10 -10.9809 0.76521E+00 -0.1162 76 H2,aq 0.48926E-06 -6.3105 0.48210E-06 -6.3169 0.98538E+00 -0.0064 90 KCl,aq 0.50581E-05 -5.2960 0.50581E-05 -5.2960 0.10000E+01 0.0000 92 KOH,aq 0.19606E-06 -6.7076 0.19606E-06 -6.7076 0.10000E+01 0.0000 93 KSO4- 0.18455E-06 -6.7339 0.14122E-06 -6.8501 0.76521E+00 -0.1162 94 MgCO3,aq 0.35294E-08 -8.4523 0.35294E-08 -8.4523 0.10000E+01 0.0000 95 Mg(HCO3)+ 0.14804E-07 -7.8296 0.11384E-07 -7.9437 0.76901E+00 -0.1141 96 MgCl+ 0.11327E-07 -7.9459 0.87106E-08 -8.0599 0.76901E+00 -0.1141 97 MgF+ 0.36146E-08 -8.4419 0.27797E-08 -8.5560 0.76901E+00 -0.1141 98 MgOH+ 0.91515E-08 -8.0385 0.70376E-08 -8.1526 0.76901E+00 -0.1141 102 MnOH+ 0.11580E-09 -9.9363 0.89055E-10 -10.0503 0.76901E+00 -0.1141 107 MnCl+ 0.15556E-09 -9.8081 0.11963E-09 -9.9222 0.76901E+00 -0.1141 109 NaCl,aq 0.52243E-03 -3.2820 0.52243E-03 -3.2820 0.10000E+01 0.0000 110 NaF,aq 0.30471E-05 -5.5161 0.30471E-05 -5.5161 0.10000E+01 0.0000 111 NaOH,aq 0.13451E-05 -5.8712 0.13451E-05 -5.8712 0.10000E+01 0.0000 113 OH- 0.62472E-04 -4.2043 0.47563E-04 -4.3227 0.76135E+00 -0.1184 124 Pb(HS)2,aq 0.10978E-09 -9.9595 0.10978E-09 -9.9595 0.10000E+01 0.0000 126 H2S,aq 0.26634E-04 -4.5746 0.26244E-04 -4.5810 0.98538E+00 -0.0064 127 S2-2 0.48128E-10 -10.3176 0.17680E-10 -10.7525 0.36734E+00 -0.4349 135 HSO4- 0.15002E-09 -9.8238 0.11563E-09 -9.9369 0.77071E+00 -0.1131 154 ZnOH+ 0.11919E-10 -10.9238 0.91658E-11 -11.0378 0.76901E+00 -0.1141 164 Cu(HS)2- 0.30872E-07 -7.5104 0.23623E-07 -7.6267 0.76521E+00 -0.1162 166 CuH4S3-b 0.15445E-08 -8.8112 0.11819E-08 -8.9274 0.76521E+00 -0.1162 179 MgSO4,aq 0.32033E-09 -9.4944 0.32033E-09 -9.4944 0.10000E+01 0.0000 180 MnCl2,aq 0.12572E-10 -10.9006 0.12572E-10 -10.9006 0.10000E+01 0.0000 182 MnCO3,aq 0.30714E-08 -8.5127 0.30714E-08 -8.5127 0.10000E+01 0.0000 183 NaCO3- 0.43710E-05 -5.3594 0.33447E-05 -5.4756 0.76521E+00 -0.1162 184 NaHCO3,aq 0.28034E-04 -4.5523 0.28034E-04 -4.5523 0.10000E+01 0.0000 185 NaHS,aq 0.33364E-05 -5.4767 0.33364E-05 -5.4767 0.10000E+01 0.0000 186 NaSO4- 0.66521E-06 -6.1770 0.50902E-06 -6.2933 0.76521E+00 -0.1162 187 PbCO3,aq 0.28513E-10 -10.5450 0.28513E-10 -10.5450 0.10000E+01 0.0000 193 Zn(HS)2,aq 0.10315E-08 -8.9865 0.10315E-08 -8.9865 0.10000E+01 0.0000 194 Zn(HS)3- 0.27492E-10 -10.5608 0.21037E-10 -10.6770 0.76521E+00 -0.1162 Charge balance for all species = 0.3494E-07 Component Molality Aq.molality ppm log[A(N)/A(H+)**Z] (total) 1 H+ 0.3905861E-07 0.5489976E-04 0.5516102E-01 0.0000 2 H2O 0.1000000E+01 0.5550797E+02 0.9968366E+06 0.0000 3 Cl- 0.4415245E-01 0.4468215E-01 0.1579116E+04 6.0482 4 SO4-- 0.3827658E-05 0.4149864E-05 0.3973844E+00 9.1891 5 HCO3- 0.2952061E-02 0.3233736E-02 0.1966907E+03 4.8750 6 HS- 0.3525017E-03 0.3830813E-03 0.1262928E+02 3.9506 7 H4SiO4 0.1633338E-02 0.1747140E-02 0.1673970E+03 -2.7869 8 Al+++ 0.3490740E-21 0.1964468E-06 0.5283700E-02 0.1238 9 Ca++ 0.4436626E-04 0.5180017E-04 0.2069495E+01 10.2459 10 Mg++ 0.2994616E-06 0.3426053E-06 0.8303131E-02 8.0704 11 Fe++ 0.1731750E-14 0.5625320E-14 0.3131657E-09 -0.1663 12 K+ 0.5395925E-02 0.5401363E-02 0.2105375E+03 5.1372 13 Na+ 0.4251061E-01 0.4310087E-01 0.9877531E+03 6.0316 14 Mn++ 0.6228805E-09 0.3985916E-08 0.2182871E-03 5.3905 15 Zn++ 0.2154763E-13 0.1071946E-08 0.6985196E-04 0.9286 16 Cu+ 0.1476071E-14 0.3241657E-07 0.2053248E-02 -7.4278 17 Pb++ 0.1062312E-14 0.1395329E-09 0.2881857E-04 -0.3718 18 Hg++ 0.2547741E-38 0.3746357E-11 0.7491099E-06 -23.9934 19 F- 0.3514378E-03 0.3547567E-03 0.6718397E+01 3.9465 Component Tot moles Aq. moles Solid moles Gas moles 1 H+ 0.1822172E+00 0.3774505E-04 -.8523088E-05 0.1821880E+00 2 H2O 0.5550825E+02 0.3816321E+02 -.1330405E-01 0.1735835E+02 3 Cl- 0.3072017E-01 0.3072017E-01 0.0000000E+00 0.1740624E-10 4 SO4-- -.4257700E-02 0.2853142E-05 0.1002171E-08 -.4260554E-02 5 HCO3- 0.1832100E+00 0.2223280E-02 0.0000000E+00 0.1809867E+00 6 HS- 0.9985820E-02 0.2633786E-03 0.5663438E-07 0.9722385E-02 7 H4SiO4 0.7855346E-02 0.1201205E-02 0.6654141E-02 0.0000000E+00 8 Al+++ 0.2253680E-05 0.1350624E-06 0.2118618E-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 0.0000000E+00 0.0000000E+00 11 Fe++ 0.8017372E-08 0.3867557E-14 0.8017368E-08 0.0000000E+00 12 K+ 0.3715700E-02 0.3713581E-02 0.2118618E-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 0.0000000E+00 0.0000000E+00 15 Zn++ 0.1530000E-07 0.7369916E-09 0.1456301E-07 0.0000000E+00 16 Cu+ 0.6237410E-07 0.2228726E-07 0.4008684E-07 0.0000000E+00 17 Pb++ 0.1110000E-07 0.9593258E-10 0.1100407E-07 0.0000000E+00 18 Hg++ 0.4000000E-08 0.2575720E-11 0.0000000E+00 0.3997424E-08 19 F- 0.2439100E-03 0.2439047E-03 0.0000000E+00 0.5283093E-08 Chg. balance for solid moles: -.1080E-16 Mass of aqueous solution: 0.689704E+03 g Temperature = 130.00 C Pressure = 2.67 bar Mixer frac. = 0.0000000 Log Log Vol Gas or mineral Moles Moles Grams Grams Wt.% (cm3) H2O,gas 17.53 1.244 315.7 2.499 97.51 0.2136E+06 CO2,gas 0.1776 -0.751 7.816 0.893 2.414 2256. CH4,gas 0.3398E-02 -2.469 0.5451E-01 -1.264 0.1684E-01 43.69 H2,gas 0.3449E-02 -2.462 0.6968E-02 -2.157 0.2152E-02 43.31 H2S,gas 0.5462E-02 -2.263 0.1861 -0.730 0.5749E-01 67.91 CO,gas 0.2598E-07 -7.585 0.7278E-06 -6.138 0.2248E-06 0.3258E-03 SO2,gas 0.4140E-15 -15.383 0.2652E-13 -13.576 0.8192E-14 0.5192E-11 HF,gas 0.5283E-08 -8.277 0.1057E-06 -6.976 0.3264E-07 0.6625E-04 HCl,gas 0.1741E-10 -10.759 0.6346E-09 -9.197 0.1960E-09 0.2183E-06 Hg,gas 0.3997E-08 -8.398 0.8018E-06 -6.096 0.2477E-06 0.5013E-04 microcline 0.2119E-05 -5.674 0.5897E-03 -3.229 0.1474 0.2304E-03 quartz 0.6648E-02 -2.177 0.3994 -0.399 99.85 0.1508 bornite 0.8017E-08 -8.096 0.4023E-05 -5.395 0.1006E-02 0.7915E-06 galena 0.1100E-07 -7.958 0.2633E-05 -5.580 0.6582E-03 0.3465E-06 sphalerite 0.1456E-07 -7.837 0.1419E-05 -5.848 0.3547E-03 0.3470E-06 Partial press. Fugacity coef Log fugacity Gas or Mineral Mole fraction or activity Activity coef Log activity H2O,gas 0.9893E+00 0.2644E+01 0.9723 0.410 CO2,gas 0.1002E-01 0.2679E-01 1.0121 -1.567 CH4,gas 0.1918E-03 0.5126E-03 1.0249 -3.280 H2,gas 0.1947E-03 0.5203E-03 1.0013 -3.283 H2S,gas 0.3082E-03 0.8239E-03 0.9916 -3.088 CO,gas 0.1466E-08 0.3920E-08 1.0000 -8.407 SO2,gas 0.2337E-16 0.6246E-16 1.0000 -16.204 HF,gas 0.2982E-09 0.7970E-09 1.0000 -9.099 HCl,gas 0.9823E-12 0.2626E-11 1.0000 -11.581 Hg,gas 0.2256E-09 0.6030E-09 1.0000 -9.220 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: 31.933437 % Solid products produced: Mass = 0.399997 g Volume = 0.151062 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 -0.19829E-09 2 CO2,gas -8.17 -8.17 -0.00 -0.000 0.95031E-10 3 CH4,gas 3.34 3.34 -0.00 -0.000 0.17532E-09 4 H2,gas 6.16 6.16 -0.00 -0.000 0.98308E-11 5 H2S,gas -7.57 -7.57 0.00 0.000 -0.60623E-10 6 CO,gas 1.12 1.12 0.00 0.000 -0.24577E-11 7 SO2,gas -1.81 -1.81 0.00 0.000 -0.81923E-11 8 HF,gas -1.57 -1.57 0.00 0.000 -0.45058E-11 9 HCl,gas 3.02 3.02 -0.00 -0.000 0.16385E-11 10 Hg,gas -11.90 -11.90 0.00 0.000 -0.32769E-11 112 microcline -3.10 -3.10 0.00 0.000 -0.65539E-11 143 quartz -2.79 -2.79 -0.00 -0.000 0.81923E-12 196 bornite -82.88 -82.88 0.00 0.000 0.00000E+00 247 galena -11.46 -11.46 0.00 0.000 0.00000E+00 258 sphalerite -10.16 -10.16 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 15 albite-high -0.33 -2.21 -1.88 -0.144 0.34616E+04 16 albite -1.26 -2.21 -0.95 -0.073 0.17437E+04 20 analcite 2.23 0.58 -1.65 -0.183 0.30464E+04 24 anhydrite -5.88 -10.64 -4.77 -2.383 0.87917E+04 27 phlogopite 23.38 21.11 -2.27 -0.126 0.41852E+04 29 anorthite 9.43 4.92 -4.51 -0.347 0.83287E+04 32 aragonite 0.54 0.08 -0.46 -0.153 0.84820E+03 33 brucite 11.44 8.07 -3.37 -0.675 0.62247E+04 34 calcite 0.38 0.08 -0.30 -0.101 0.55879E+03 35 carnegieite-low 7.51 3.37 -4.14 -0.591 0.76345E+04 37 carpholite-Mg 5.88 2.74 -3.13 -0.209 0.57810E+04 39 celadonite 4.06 2.18 -1.87 -0.110 0.34567E+04 41 chrysotile 21.41 18.64 -2.77 -0.231 0.51073E+04 43 chlorite-Al-free 42.27 37.27 -5.00 -0.208 0.92208E+04 44 chloritoid-Mg 10.00 5.53 -4.47 -0.298 0.82448E+04 48 coesite -2.21 -2.79 -0.58 -0.192 0.10621E+04 55 cristobalite -2.42 -2.79 -0.37 -0.123 0.67916E+03 58 cymrite-K 0.81 -3.10 -3.91 -0.326 0.72112E+04 60 diaspore 1.76 0.12 -1.63 -0.272 0.30129E+04 61 diamond -2.72 -5.26 -2.54 -0.726 0.46856E+04 62 diopside 14.50 12.74 -1.75 -0.175 0.32371E+04 64 dolomite,ordered -0.40 -2.01 -1.61 -0.269 0.29730E+04 66 enstatite 15.25 10.57 -4.68 -0.468 0.86351E+04 68 clinoenstatite 15.16 10.57 -4.59 -0.459 0.84697E+04 78 gibbsite 2.98 0.12 -2.86 -0.408 0.52737E+04 79 glaucophane 18.88 14.23 -4.65 -0.126 0.85817E+04 82 graphite -3.15 -5.26 -2.11 -0.604 0.38973E+04 85 halite 1.50 -2.96 -4.46 -2.230 0.82294E+04 87 heulandite -7.47 -9.02 -1.55 -0.070 0.28572E+04 91 jadeite 3.15 0.58 -2.57 -0.257 0.47403E+04 93 kalsilite 6.24 2.47 -3.77 -0.538 0.69512E+04 94 kaolinite -2.96 -5.33 -2.36 -0.215 0.43584E+04 97 laumontite 0.81 -0.65 -1.47 -0.098 0.27052E+04 98 lawsonite 7.11 4.92 -2.19 -0.146 0.40351E+04 99 leucite 2.94 -0.31 -3.25 -0.325 0.59933E+04 101 lizardite 20.85 18.64 -2.21 -0.185 0.40855E+04 102 magnesite 0.09 -2.09 -2.18 -0.728 0.40296E+04 116 muscovite -0.26 -2.85 -2.59 -0.152 0.47809E+04 117 paragonite 1.20 -1.96 -3.16 -0.186 0.58243E+04 118 nepheline 6.86 3.37 -3.49 -0.499 0.64451E+04 130 phlogopite-Na 25.67 22.01 -3.66 -0.203 0.67520E+04 132 prehnite 15.74 12.38 -3.37 -0.198 0.62098E+04 138 pyrite -20.50 -24.79 -4.29 -1.010 0.79219E+04 141 pyroxmangite 6.62 2.60 -4.02 -0.803 0.74084E+04 142 pyrophyllite -7.63 -10.90 -3.27 -0.204 0.60296E+04 148 rhodochrosite -1.31 -4.77 -3.46 -1.154 0.63875E+04 149 rhodonite 6.66 2.60 -4.05 -0.811 0.74800E+04 150 sanidine -1.98 -3.10 -1.12 -0.086 0.20677E+04 160 stilbite -8.44 -9.02 -0.57 -0.027 0.10529E+04 162 stilpnomelane-Mg 22.30 20.87 -1.43 -0.043 0.26369E+04 166 sulfur -8.89 -13.54 -4.64 -1.429 0.85661E+04 168 talc 14.38 13.06 -1.32 -0.077 0.24288E+04 176 tridymite -2.47 -2.79 -0.32 -0.106 0.58545E+03 177 tremolite 42.43 38.55 -3.88 -0.105 0.71593E+04 185 wairakite 1.51 -0.65 -2.17 -0.127 0.39967E+04 186 walstromite 10.51 7.46 -3.05 -0.610 0.56282E+04 187 wollastonite 9.54 7.46 -2.08 -0.417 0.38441E+04 188 pseudo-wollastonite 10.02 7.46 -2.56 -0.513 0.47272E+04 191 beidellite-Ca -3.81 -8.25 -4.44 -0.274 0.81847E+04 193 beidellite-K -3.56 -8.24 -4.68 -0.287 0.86400E+04 194 beidellite-Mg -3.98 -8.61 -4.63 -0.286 0.85364E+04 195 beidellite-Na -3.42 -7.95 -4.53 -0.277 0.83501E+04 198 chalcedony -2.61 -2.79 -0.17 -0.058 0.31885E+03 199 chalcocite -25.79 -25.94 -0.15 -0.039 0.28419E+03 200 covellite -18.59 -19.74 -1.15 -0.437 0.21156E+04 201 dawsonite 0.87 -4.01 -4.88 -0.610 0.90027E+04 202 montmorillonite-Ca -3.86 -6.59 -2.73 -0.169 0.50358E+04 203 montmorillonite-K -3.68 -6.58 -2.90 -0.177 0.53462E+04 204 montmorillonite-Mg -4.07 -6.95 -2.88 -0.178 0.53100E+04 205 montmorillonite-Na -3.52 -6.29 -2.77 -0.170 0.51118E+04 227 tobermorite 9.37 5.75 -3.62 -0.987 0.66753E+04 233 alabandite -1.40 -5.70 -4.30 -1.433 0.79329E+04 238 boehmite 3.11 0.12 -2.99 -0.498 0.55114E+04 240 chalcopyrite -27.23 -31.00 -3.77 -0.701 0.69555E+04 243 copper,native -2.52 -6.20 -3.68 -1.280 0.67890E+04 244 dolomite,disordered 0.20 -2.01 -2.22 -0.369 0.40889E+04 246 fluorite -10.12 -11.94 -1.82 -0.607 0.33573E+04 255 silica-amorphous -1.99 -2.79 -0.79 -0.265 0.14661E+04 259 wurtzite -8.46 -10.16 -1.70 -0.566 0.31312E+04 261 an20ab80 0.66 -0.78 -1.44 -0.111 0.26590E+04 262 an25ab75 1.17 -0.42 -1.59 -0.123 0.29393E+04 263 an30ab70 1.68 -0.07 -1.75 -0.135 0.32290E+04 Calculations done for 130.0000 Deg. C; 2.6730 bar Enthalpies: Pure water 2.3576 kcal/mole H2O,gas 11.7706 kcal/mole CO2,gas 1.2618 kcal/mole CH4,gas 1.2186 kcal/mole Current solution 89.9753 Gas 206.5553 kcal Total current enthalpy 296.5306 kcal Starting enthalpy 296.5306 kcal Temperature changed by -2.000 degrees to 128.000 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 = 8 Loop limit = 200 Temperature = 128.00 C Pressure = 2.52 bar Mixer fraction = 0.0000000 Total current enthalpy = 296.5306 KCAL Water: Moles liquid = 0.3799E+02 kg liquid = 0.6844E+00 Moles total = 0.5551E+02 kg total = 0.1000E+01 Activity = 1.0000 Stoichiometric ionic strength = .4890488E-01 Osmotic coef. = 0.9311 True ionic strength = .4829261E-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+ 0.37472E-07 -7.4263 0.29038E-07 -7.5370 0.77491E+00 -0.1107 2 H2O 0.10000E+01 -0.0000 0.10000E+01 -0.0000 3 Cl- 0.44362E-01 -1.3530 0.33980E-01 -1.4688 0.76597E+00 -0.1158 4 SO4-- 0.40819E-05 -5.3891 0.15127E-05 -5.8203 0.37058E+00 -0.4311 5 HCO3- 0.29718E-02 -2.5270 0.22846E-02 -2.6412 0.76877E+00 -0.1142 6 HS- 0.34761E-03 -3.4589 0.26636E-03 -3.5745 0.76625E+00 -0.1156 7 H4SiO4 0.15847E-02 -2.8001 0.15847E-02 -2.8001 0.10000E+01 0.0000 8 Al+++ 0.34764E-21 -21.4589 0.36932E-22 -22.4326 0.10624E+00 -0.9737 9 Ca++ 0.44693E-04 -4.3498 0.16288E-04 -4.7881 0.36445E+00 -0.4384 10 Mg++ 0.30193E-06 -6.5201 0.10883E-06 -6.9632 0.36045E+00 -0.4432 11 Fe++ 0.11743E-14 -14.9302 0.42442E-15 -15.3722 0.36141E+00 -0.4420 12 K+ 0.54206E-02 -2.2660 0.41701E-02 -2.3798 0.76932E+00 -0.1139 13 Na+ 0.42712E-01 -1.3694 0.32708E-01 -1.4853 0.76577E+00 -0.1159 14 Mn++ 0.60397E-09 -9.2190 0.21872E-09 -9.6601 0.36214E+00 -0.4411 15 Zn++ 0.20321E-13 -13.6921 0.73442E-14 -14.1341 0.36141E+00 -0.4420 16 Cu+ 0.13298E-14 -14.8762 0.10182E-14 -14.9922 0.76567E+00 -0.1160 17 Pb++ 0.93683E-15 -15.0283 0.34383E-15 -15.4637 0.36702E+00 -0.4353 18 Hg++ 0.20450E-38 -38.6893 0.74804E-39 -39.1261 0.36579E+00 -0.4368 19 F- 0.35310E-03 -3.4521 0.26891E-03 -3.5704 0.76157E+00 -0.1183 21 HSiO3- 0.86181E-04 -4.0646 0.66012E-04 -4.1804 0.76597E+00 -0.1158 22 Ca(HSiO3)+ 0.52364E-07 -7.2810 0.40305E-07 -7.3946 0.76972E+00 -0.1137 23 Mg(HSiO3)+ 0.38783E-09 -9.4114 0.29852E-09 -9.5250 0.76972E+00 -0.1137 24 NaHSiO3,aq 0.27449E-04 -4.5615 0.27449E-04 -4.5615 0.10000E+01 0.0000 27 HAlO2,aq 0.88922E-09 -9.0510 0.88922E-09 -9.0510 0.10000E+01 0.0000 28 AlO2- 0.18017E-06 -6.7443 0.13732E-06 -6.8623 0.76217E+00 -0.1179 29 CH4,aq 0.38830E-06 -6.4108 0.38261E-06 -6.4172 0.98535E+00 -0.0064 35 CO2,aq 0.21524E-03 -3.6671 0.21209E-03 -3.6735 0.98535E+00 -0.0064 36 CO3-2 0.15880E-04 -4.7992 0.58559E-05 -5.2324 0.36876E+00 -0.4333 37 CaCO3,aq 0.25915E-05 -5.5864 0.25915E-05 -5.5864 0.10000E+01 0.0000 38 Ca(HCO3)+ 0.21265E-05 -5.6723 0.16368E-05 -5.7860 0.76972E+00 -0.1137 39 CaCl+ 0.21082E-05 -5.6761 0.16228E-05 -5.7897 0.76972E+00 -0.1137 40 CaCl2,aq 0.13700E-07 -7.8633 0.13700E-07 -7.8633 0.10000E+01 0.0000 41 CaF+ 0.15243E-06 -6.8169 0.11733E-06 -6.9306 0.76972E+00 -0.1137 42 CaOH+ 0.28402E-06 -6.5466 0.21862E-06 -6.6603 0.76972E+00 -0.1137 43 CaSO4,aq 0.12964E-07 -7.8872 0.12964E-07 -7.8872 0.10000E+01 0.0000 44 HCl,aq 0.22712E-09 -9.6437 0.22712E-09 -9.6437 0.10000E+01 0.0000 61 HF,aq 0.10281E-06 -6.9880 0.10281E-06 -6.9880 0.10000E+01 0.0000 62 HF2- 0.12666E-10 -10.8974 0.97019E-11 -11.0131 0.76597E+00 -0.1158 76 H2,aq 0.44116E-06 -6.3554 0.43470E-06 -6.3618 0.98535E+00 -0.0064 90 KCl,aq 0.48965E-05 -5.3101 0.48965E-05 -5.3101 0.10000E+01 0.0000 92 KOH,aq 0.19066E-06 -6.7197 0.19066E-06 -6.7197 0.10000E+01 0.0000 93 KSO4- 0.19247E-06 -6.7156 0.14743E-06 -6.8314 0.76597E+00 -0.1158 94 MgCO3,aq 0.36329E-08 -8.4398 0.36329E-08 -8.4398 0.10000E+01 0.0000 95 Mg(HCO3)+ 0.14492E-07 -7.8389 0.11155E-07 -7.9525 0.76972E+00 -0.1137 96 MgCl+ 0.11134E-07 -7.9533 0.85700E-08 -8.0670 0.76972E+00 -0.1137 97 MgF+ 0.35319E-08 -8.4520 0.27185E-08 -8.5657 0.76972E+00 -0.1137 98 MgOH+ 0.87191E-08 -8.0595 0.67113E-08 -8.1732 0.76972E+00 -0.1137 102 MnOH+ 0.10757E-09 -9.9683 0.82797E-10 -10.0820 0.76972E+00 -0.1137 107 MnCl+ 0.14298E-09 -9.8447 0.11005E-09 -9.9584 0.76972E+00 -0.1137 109 NaCl,aq 0.51581E-03 -3.2875 0.51581E-03 -3.2875 0.10000E+01 0.0000 110 NaF,aq 0.30020E-05 -5.5226 0.30020E-05 -5.5226 0.10000E+01 0.0000 111 NaOH,aq 0.13191E-05 -5.8797 0.13191E-05 -5.8797 0.10000E+01 0.0000 113 OH- 0.61496E-04 -4.2112 0.46870E-04 -4.3291 0.76217E+00 -0.1179 124 Pb(HS)2,aq 0.98206E-10 -10.0079 0.98206E-10 -10.0079 0.10000E+01 0.0000 126 H2S,aq 0.25085E-04 -4.6006 0.24718E-04 -4.6070 0.98535E+00 -0.0064 127 S2-2 0.46607E-10 -10.3315 0.17187E-10 -10.7648 0.36876E+00 -0.4333 135 HSO4- 0.14415E-09 -9.8412 0.11120E-09 -9.9539 0.77141E+00 -0.1127 154 ZnOH+ 0.10521E-10 -10.9780 0.80980E-11 -11.0916 0.76972E+00 -0.1137 164 Cu(HS)2- 0.30896E-07 -7.5101 0.23665E-07 -7.6259 0.76597E+00 -0.1158 166 CuH4S3-b 0.16670E-08 -8.7781 0.12769E-08 -8.8938 0.76597E+00 -0.1158 179 MgSO4,aq 0.33334E-09 -9.4771 0.33334E-09 -9.4771 0.10000E+01 0.0000 180 MnCl2,aq 0.11255E-10 -10.9486 0.11255E-10 -10.9486 0.10000E+01 0.0000 182 MnCO3,aq 0.31312E-08 -8.5043 0.31312E-08 -8.5043 0.10000E+01 0.0000 183 NaCO3- 0.45735E-05 -5.3398 0.35031E-05 -5.4555 0.76597E+00 -0.1158 184 NaHCO3,aq 0.27835E-04 -4.5554 0.27835E-04 -4.5554 0.10000E+01 0.0000 185 NaHS,aq 0.32452E-05 -5.4888 0.32452E-05 -5.4888 0.10000E+01 0.0000 186 NaSO4- 0.70354E-06 -6.1527 0.53889E-06 -6.2685 0.76597E+00 -0.1158 187 PbCO3,aq 0.25885E-10 -10.5870 0.25885E-10 -10.5870 0.10000E+01 0.0000 193 Zn(HS)2,aq 0.94941E-09 -9.0225 0.94941E-09 -9.0225 0.10000E+01 0.0000 194 Zn(HS)3- 0.24919E-10 -10.6035 0.19087E-10 -10.7193 0.76597E+00 -0.1158 Charge balance for all species = 0.3510E-07 Component Molality Aq.molality ppm log[A(N)/A(H+)**Z] (total) 1 H+ 0.3747234E-07 0.3960164E-04 0.3978976E-01 -0.0000 2 H2O 0.1000000E+01 0.5550799E+02 0.9968285E+06 0.0000 3 Cl- 0.4436185E-01 0.4488471E-01 0.1586262E+04 6.0683 4 SO4-- 0.4081878E-05 0.4492754E-05 0.4302154E+00 9.2538 5 HCO3- 0.2971788E-02 0.3240444E-02 0.1970971E+03 4.8959 6 HS- 0.3476104E-03 0.3765084E-03 0.1241248E+02 3.9625 7 H4SiO4 0.1584693E-02 0.1698375E-02 0.1627234E+03 -2.8001 8 Al+++ 0.3476385E-21 0.1810547E-06 0.4869668E-02 0.1785 9 Ca++ 0.4469327E-04 0.5203500E-04 0.2078859E+01 10.2859 10 Mg++ 0.3019269E-06 0.3441585E-06 0.8340702E-02 8.1108 11 Fe++ 0.1174342E-14 0.3701563E-14 0.2060670E-09 -0.2981 12 K+ 0.5420554E-02 0.5425833E-02 0.2114895E+03 5.1572 13 Na+ 0.4271233E-01 0.4329626E-01 0.9922226E+03 6.0517 14 Mn++ 0.6039723E-09 0.4003986E-08 0.2192749E-03 5.4140 15 Zn++ 0.2032069E-13 0.9857386E-09 0.6423381E-04 0.9400 16 Cu+ 0.1329820E-14 0.3256352E-07 0.2062538E-02 -7.4551 17 Pb++ 0.9368282E-15 0.1251745E-09 0.2585282E-04 -0.3896 18 Hg++ 0.2044992E-38 0.3635244E-11 0.7268861E-06 -24.0520 19 F- 0.3531047E-03 0.3563655E-03 0.6748808E+01 3.9666 Component Tot moles Aq. moles Solid moles Gas moles 1 H+ 0.1822172E+00 0.2710431E-04 -.8567737E-05 0.1821987E+00 2 H2O 0.5550825E+02 0.3799099E+02 -.1338162E-01 0.1753064E+02 3 Cl- 0.3072017E-01 0.3072017E-01 0.0000000E+00 0.1577905E-10 4 SO4-- -.4257700E-02 0.3074949E-05 0.1002171E-08 -.4260776E-02 5 HCO3- 0.1832100E+00 0.2217837E-02 0.0000000E+00 0.1809922E+00 6 HS- 0.9985820E-02 0.2576913E-03 0.5670697E-07 0.9728072E-02 7 H4SiO4 0.7855346E-02 0.1162408E-02 0.6692938E-02 0.0000000E+00 8 Al+++ 0.2253680E-05 0.1239182E-06 0.2129762E-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 0.0000000E+00 0.0000000E+00 11 Fe++ 0.8017372E-08 0.2533438E-14 0.8017369E-08 0.0000000E+00 12 K+ 0.3715700E-02 0.3713570E-02 0.2129762E-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 0.0000000E+00 0.0000000E+00 15 Zn++ 0.1530000E-07 0.6746631E-09 0.1462534E-07 0.0000000E+00 16 Cu+ 0.6237410E-07 0.2228725E-07 0.4008685E-07 0.0000000E+00 17 Pb++ 0.1110000E-07 0.8567240E-10 0.1101433E-07 0.0000000E+00 18 Hg++ 0.4000000E-08 0.2488048E-11 0.0000000E+00 0.3997512E-08 19 F- 0.2439100E-03 0.2439051E-03 0.0000000E+00 0.4892393E-08 Chg. balance for solid moles: -.3466E-16 Mass of aqueous solution: 0.686597E+03 g Temperature = 128.00 C Pressure = 2.52 bar Mixer frac. = 0.0000000 Log Log Vol Gas or mineral Moles Moles Grams Grams Wt.% (cm3) H2O,gas 17.70 1.248 318.8 2.504 97.53 0.2283E+06 CO2,gas 0.1776 -0.751 7.815 0.893 2.391 2384. CH4,gas 0.3417E-02 -2.466 0.5481E-01 -1.261 0.1677E-01 46.39 H2,gas 0.3376E-02 -2.472 0.6819E-02 -2.166 0.2086E-02 44.81 H2S,gas 0.5467E-02 -2.262 0.1863 -0.730 0.5700E-01 71.91 CO,gas 0.2366E-07 -7.626 0.6628E-06 -6.179 0.2028E-06 0.3137E-03 SO2,gas 0.3547E-15 -15.450 0.2272E-13 -13.644 0.6952E-14 0.4703E-11 HF,gas 0.4892E-08 -8.310 0.9785E-07 -7.009 0.2994E-07 0.6487E-04 HCl,gas 0.1578E-10 -10.802 0.5753E-09 -9.240 0.1760E-09 0.2092E-06 Hg,gas 0.3998E-08 -8.398 0.8019E-06 -6.096 0.2453E-06 0.5300E-04 microcline 0.2130E-05 -5.672 0.5928E-03 -3.227 0.1473 0.2316E-03 quartz 0.6687E-02 -2.175 0.4017 -0.396 99.85 0.1517 bornite 0.8017E-08 -8.096 0.4023E-05 -5.395 0.1000E-02 0.7915E-06 galena 0.1101E-07 -7.958 0.2635E-05 -5.579 0.6550E-03 0.3468E-06 sphalerite 0.1463E-07 -7.835 0.1425E-05 -5.846 0.3542E-03 0.3485E-06 Partial press. Fugacity coef Log fugacity Gas or Mineral Mole fraction or activity Activity coef Log activity H2O,gas 0.9894E+00 0.2489E+01 0.9734 0.384 CO2,gas 0.9925E-02 0.2497E-01 1.0117 -1.598 CH4,gas 0.1910E-03 0.4804E-03 1.0238 -3.308 H2,gas 0.1887E-03 0.4746E-03 1.0013 -3.323 H2S,gas 0.3056E-03 0.7687E-03 0.9920 -3.118 CO,gas 0.1323E-08 0.3327E-08 1.0000 -8.478 SO2,gas 0.1983E-16 0.4987E-16 1.0000 -16.302 HF,gas 0.2735E-09 0.6879E-09 1.0000 -9.162 HCl,gas 0.8819E-12 0.2219E-11 1.0000 -11.654 Hg,gas 0.2234E-09 0.5621E-09 1.0000 -9.250 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: 32.239575 % Solid products produced: Mass = 0.402329 g Volume = 0.151943 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 -0.17356E-09 2 CO2,gas -8.18 -8.18 -0.00 -0.000 0.88038E-10 3 CH4,gas 3.31 3.31 -0.00 -0.000 0.15325E-09 4 H2,gas 6.17 6.17 -0.00 -0.000 0.65213E-11 5 H2S,gas -7.59 -7.59 0.00 0.000 -0.55431E-10 6 CO,gas 1.15 1.15 -0.00 -0.000 0.12228E-11 7 SO2,gas -1.75 -1.75 -0.00 -0.000 0.77441E-11 8 HF,gas -1.54 -1.54 0.00 0.000 -0.28531E-11 9 HCl,gas 3.05 3.05 -0.00 -0.000 0.81517E-12 10 Hg,gas -11.96 -11.96 0.00 0.000 -0.65213E-11 112 microcline -3.06 -3.06 -0.00 -0.000 0.16303E-11 143 quartz -2.80 -2.80 -0.00 -0.000 0.81517E-12 196 bornite -83.24 -83.24 0.00 0.000 -0.26085E-10 247 galena -11.50 -11.50 0.00 0.000 -0.65213E-11 258 sphalerite -10.17 -10.17 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 15 albite-high -0.27 -2.17 -1.90 -0.146 0.34902E+04 16 albite -1.21 -2.17 -0.96 -0.074 0.17642E+04 20 analcite 2.30 0.63 -1.67 -0.185 0.30610E+04 24 anhydrite -5.84 -10.61 -4.77 -2.384 0.87512E+04 27 phlogopite 23.60 21.27 -2.34 -0.130 0.42886E+04 29 anorthite 9.63 5.04 -4.59 -0.353 0.84285E+04 32 aragonite 0.57 0.11 -0.46 -0.154 0.84605E+03 33 brucite 11.51 8.11 -3.40 -0.681 0.62465E+04 34 calcite 0.41 0.11 -0.30 -0.101 0.55798E+03 35 carnegieite-low 7.60 3.43 -4.17 -0.596 0.76526E+04 37 carpholite-Mg 6.04 2.87 -3.17 -0.212 0.58280E+04 39 celadonite 4.13 2.25 -1.89 -0.111 0.34649E+04 41 chrysotile 21.56 18.73 -2.82 -0.235 0.51850E+04 44 chloritoid-Mg 10.20 5.67 -4.53 -0.302 0.83127E+04 48 coesite -2.22 -2.80 -0.58 -0.193 0.10614E+04 55 cristobalite -2.43 -2.80 -0.37 -0.124 0.68221E+03 58 cymrite-K 0.86 -3.06 -3.93 -0.327 0.72059E+04 60 diaspore 1.83 0.18 -1.65 -0.275 0.30237E+04 61 diamond -2.75 -5.29 -2.54 -0.726 0.46632E+04 62 diopside 14.60 12.80 -1.80 -0.180 0.33101E+04 64 dolomite,ordered -0.34 -1.96 -1.62 -0.270 0.29721E+04 66 enstatite 15.37 10.62 -4.75 -0.475 0.87179E+04 68 clinoenstatite 15.28 10.62 -4.66 -0.466 0.85524E+04 78 gibbsite 3.05 0.18 -2.87 -0.410 0.52706E+04 79 glaucophane 19.12 14.39 -4.73 -0.128 0.86868E+04 82 graphite -3.17 -5.29 -2.11 -0.603 0.38769E+04 85 halite 1.51 -2.95 -4.46 -2.231 0.81892E+04 87 heulandite -7.37 -8.96 -1.59 -0.072 0.29109E+04 91 jadeite 3.22 0.63 -2.59 -0.259 0.47457E+04 93 kalsilite 6.32 2.54 -3.79 -0.541 0.69538E+04 94 kaolinite -2.87 -5.24 -2.38 -0.216 0.43647E+04 97 laumontite 0.94 -0.56 -1.49 -0.100 0.27411E+04 98 lawsonite 7.26 5.04 -2.22 -0.148 0.40704E+04 99 leucite 3.01 -0.26 -3.27 -0.327 0.60052E+04 101 lizardite 21.00 18.73 -2.26 -0.189 0.41572E+04 102 magnesite 0.13 -2.07 -2.20 -0.732 0.40305E+04 116 muscovite -0.09 -2.71 -2.62 -0.154 0.48085E+04 117 paragonite 1.38 -1.81 -3.20 -0.188 0.58683E+04 118 nepheline 6.95 3.43 -3.52 -0.503 0.64645E+04 130 phlogopite-Na 25.91 22.16 -3.75 -0.208 0.68753E+04 132 prehnite 15.97 12.53 -3.44 -0.202 0.63097E+04 138 pyrite -20.54 -24.97 -4.42 -1.041 0.81216E+04 141 pyroxmangite 6.67 2.61 -4.05 -0.811 0.74397E+04 142 pyrophyllite -7.54 -10.84 -3.30 -0.206 0.60547E+04 148 rhodochrosite -1.29 -4.76 -3.47 -1.158 0.63778E+04 149 rhodonite 6.71 2.61 -4.09 -0.818 0.75118E+04 150 sanidine -1.94 -3.06 -1.13 -0.087 0.20678E+04 160 stilbite -8.39 -8.96 -0.56 -0.027 0.10340E+04 162 stilpnomelane-Mg 22.61 21.09 -1.52 -0.045 0.27944E+04 166 sulfur -8.91 -13.56 -4.65 -1.430 0.85316E+04 168 talc 14.51 13.13 -1.37 -0.081 0.25235E+04 176 tridymite -2.48 -2.80 -0.32 -0.107 0.58739E+03 177 tremolite 42.76 38.73 -4.03 -0.109 0.74037E+04 185 wairakite 1.66 -0.56 -2.22 -0.130 0.40670E+04 186 walstromite 10.57 7.49 -3.09 -0.617 0.56632E+04 187 wollastonite 9.60 7.49 -2.11 -0.423 0.38786E+04 188 pseudo-wollastonite 10.08 7.49 -2.60 -0.519 0.47641E+04 191 beidellite-Ca -3.68 -8.16 -4.48 -0.277 0.82266E+04 193 beidellite-K -3.44 -8.16 -4.72 -0.289 0.86654E+04 194 beidellite-Mg -3.85 -8.52 -4.67 -0.289 0.85795E+04 195 beidellite-Na -3.30 -7.86 -4.57 -0.280 0.83812E+04 198 chalcedony -2.63 -2.80 -0.17 -0.058 0.31883E+03 199 chalcocite -25.92 -26.02 -0.10 -0.026 0.18912E+03 200 covellite -18.68 -19.79 -1.11 -0.424 0.20443E+04 201 dawsonite 0.92 -3.95 -4.87 -0.609 0.89362E+04 202 montmorillonite-Ca -3.76 -6.53 -2.76 -0.171 0.50745E+04 203 montmorillonite-K -3.60 -6.52 -2.93 -0.179 0.53704E+04 204 montmorillonite-Mg -3.97 -6.89 -2.91 -0.180 0.53496E+04 205 montmorillonite-Na -3.43 -6.23 -2.80 -0.171 0.51399E+04 227 tobermorite 9.39 5.77 -3.63 -0.989 0.66550E+04 233 alabandite -1.37 -5.70 -4.33 -1.442 0.79427E+04 238 boehmite 3.19 0.18 -3.01 -0.502 0.55299E+04 240 chalcopyrite -27.31 -31.20 -3.89 -0.724 0.71402E+04 243 copper,native -2.55 -6.23 -3.68 -1.279 0.67515E+04 244 dolomite,disordered 0.27 -1.96 -2.23 -0.372 0.40935E+04 246 fluorite -10.11 -11.93 -1.82 -0.608 0.33456E+04 255 silica-amorphous -2.00 -2.80 -0.80 -0.267 0.14699E+04 259 wurtzite -8.47 -10.17 -1.71 -0.569 0.31314E+04 261 an20ab80 0.74 -0.73 -1.47 -0.113 0.26973E+04 262 an25ab75 1.26 -0.37 -1.62 -0.125 0.29819E+04 263 an30ab70 1.78 -0.01 -1.78 -0.137 0.32757E+04 Calculations done for 128.0000 Deg. C; 2.5155 bar Enthalpies: Pure water 2.3206 kcal/mole H2O,gas 11.7587 kcal/mole CO2,gas 1.2375 kcal/mole CH4,gas 1.1946 kcal/mole Current solution 88.1617 Gas 208.3689 kcal Total current enthalpy 296.5306 kcal Starting enthalpy 296.5306 kcal Temperature changed by -2.000 degrees to 126.000 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 = 8 Loop limit = 200 Temperature = 126.00 C Pressure = 2.37 bar Mixer fraction = 0.0000000 Total current enthalpy = 296.5306 KCAL Water: Moles liquid = 0.3782E+02 kg liquid = 0.6813E+00 Moles total = 0.5551E+02 kg total = 0.1000E+01 Activity = 1.0000 Stoichiometric ionic strength = .4911913E-01 Osmotic coef. = 0.9314 True ionic strength = .4852144E-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+ 0.35929E-07 -7.4446 0.27870E-07 -7.5549 0.77569E+00 -0.1103 2 H2O 0.10000E+01 -0.0000 0.10000E+01 -0.0000 3 Cl- 0.44572E-01 -1.3509 0.34174E-01 -1.4663 0.76672E+00 -0.1154 4 SO4-- 0.43526E-05 -5.3612 0.16191E-05 -5.7907 0.37198E+00 -0.4295 5 HCO3- 0.29915E-02 -2.5241 0.23019E-02 -2.6379 0.76949E+00 -0.1138 6 HS- 0.34268E-03 -3.4651 0.26283E-03 -3.5803 0.76700E+00 -0.1152 7 H4SiO4 0.15370E-02 -2.8133 0.15370E-02 -2.8133 0.10000E+01 0.0000 8 Al+++ 0.34595E-21 -21.4610 0.37076E-22 -22.4309 0.10717E+00 -0.9699 9 Ca++ 0.45016E-04 -4.3466 0.16470E-04 -4.7833 0.36586E+00 -0.4367 10 Mg++ 0.30436E-06 -6.5166 0.11015E-06 -6.9580 0.36190E+00 -0.4414 11 Fe++ 0.79481E-15 -15.0997 0.28840E-15 -15.5400 0.36285E+00 -0.4403 12 K+ 0.54452E-02 -2.2640 0.41930E-02 -2.3775 0.77002E+00 -0.1135 13 Na+ 0.42914E-01 -1.3674 0.32895E-01 -1.4829 0.76651E+00 -0.1155 14 Mn++ 0.58488E-09 -9.2329 0.21265E-09 -9.6723 0.36357E+00 -0.4394 15 Zn++ 0.19141E-13 -13.7180 0.69455E-14 -14.1583 0.36285E+00 -0.4403 16 Cu+ 0.11959E-14 -14.9223 0.91658E-15 -15.0378 0.76642E+00 -0.1155 17 Pb++ 0.82460E-15 -15.0838 0.30380E-15 -15.5174 0.36842E+00 -0.4337 18 Hg++ 0.16357E-38 -38.7863 0.60062E-39 -39.2214 0.36720E+00 -0.4351 19 F- 0.35477E-03 -3.4500 0.27048E-03 -3.5679 0.76241E+00 -0.1178 21 HSiO3- 0.85614E-04 -4.0675 0.65642E-04 -4.1828 0.76672E+00 -0.1154 22 Ca(HSiO3)+ 0.50706E-07 -7.2949 0.39065E-07 -7.4082 0.77042E+00 -0.1133 23 Mg(HSiO3)+ 0.37896E-09 -9.4214 0.29196E-09 -9.5347 0.77042E+00 -0.1133 24 NaHSiO3,aq 0.27861E-04 -4.5550 0.27861E-04 -4.5550 0.10000E+01 0.0000 27 HAlO2,aq 0.82560E-09 -9.0832 0.82560E-09 -9.0832 0.10000E+01 0.0000 28 AlO2- 0.16585E-06 -6.7803 0.12654E-06 -6.8978 0.76300E+00 -0.1175 29 CH4,aq 0.36056E-06 -6.4430 0.35526E-06 -6.4494 0.98532E+00 -0.0064 35 CO2,aq 0.20222E-03 -3.6942 0.19925E-03 -3.7006 0.98532E+00 -0.0064 36 CO3-2 0.16796E-04 -4.7748 0.62173E-05 -5.2064 0.37017E+00 -0.4316 37 CaCO3,aq 0.26320E-05 -5.5797 0.26320E-05 -5.5797 0.10000E+01 0.0000 38 Ca(HCO3)+ 0.20786E-05 -5.6822 0.16014E-05 -5.7955 0.77042E+00 -0.1133 39 CaCl+ 0.20512E-05 -5.6880 0.15803E-05 -5.8013 0.77042E+00 -0.1133 40 CaCl2,aq 0.13349E-07 -7.8745 0.13349E-07 -7.8745 0.10000E+01 0.0000 41 CaF+ 0.14815E-06 -6.8293 0.11414E-06 -6.9426 0.77042E+00 -0.1133 42 CaOH+ 0.26702E-06 -6.5735 0.20571E-06 -6.6867 0.77042E+00 -0.1133 43 CaSO4,aq 0.13520E-07 -7.8690 0.13520E-07 -7.8690 0.10000E+01 0.0000 44 HCl,aq 0.21452E-09 -9.6685 0.21452E-09 -9.6685 0.10000E+01 0.0000 61 HF,aq 0.94859E-07 -7.0229 0.94859E-07 -7.0229 0.10000E+01 0.0000 62 HF2- 0.11740E-10 -10.9303 0.90014E-11 -11.0457 0.76672E+00 -0.1154 76 H2,aq 0.39750E-06 -6.4007 0.39166E-06 -6.4071 0.98532E+00 -0.0064 90 KCl,aq 0.47395E-05 -5.3243 0.47395E-05 -5.3243 0.10000E+01 0.0000 92 KOH,aq 0.18529E-06 -6.7321 0.18529E-06 -6.7321 0.10000E+01 0.0000 93 KSO4- 0.20077E-06 -6.6973 0.15393E-06 -6.8127 0.76672E+00 -0.1154 94 MgCO3,aq 0.37398E-08 -8.4272 0.37398E-08 -8.4272 0.10000E+01 0.0000 95 Mg(HCO3)+ 0.14189E-07 -7.8481 0.10931E-07 -7.9613 0.77042E+00 -0.1133 96 MgCl+ 0.10946E-07 -7.9608 0.84328E-08 -8.0740 0.77042E+00 -0.1133 97 MgF+ 0.34515E-08 -8.4620 0.26591E-08 -8.5753 0.77042E+00 -0.1133 98 MgOH+ 0.83028E-08 -8.0808 0.63966E-08 -8.1941 0.77042E+00 -0.1133 102 MnOH+ 0.99752E-10 -10.0011 0.76851E-10 -10.1144 0.77042E+00 -0.1133 107 MnCl+ 0.13125E-09 -9.8819 0.10112E-09 -9.9952 0.77042E+00 -0.1133 109 NaCl,aq 0.50934E-03 -3.2930 0.50934E-03 -3.2930 0.10000E+01 0.0000 110 NaF,aq 0.29578E-05 -5.5290 0.29578E-05 -5.5290 0.10000E+01 0.0000 111 NaOH,aq 0.12931E-05 -5.8884 0.12931E-05 -5.8884 0.10000E+01 0.0000 113 OH- 0.60500E-04 -4.2182 0.46161E-04 -4.3357 0.76300E+00 -0.1175 124 Pb(HS)2,aq 0.87777E-10 -10.0566 0.87777E-10 -10.0566 0.10000E+01 0.0000 126 H2S,aq 0.23623E-04 -4.6267 0.23277E-04 -4.6331 0.98532E+00 -0.0064 127 S2-2 0.45110E-10 -10.3457 0.16698E-10 -10.7773 0.37017E+00 -0.4316 135 HSO4- 0.13842E-09 -9.8588 0.10687E-09 -9.9711 0.77210E+00 -0.1123 164 Cu(HS)2- 0.30911E-07 -7.5099 0.23700E-07 -7.6253 0.76672E+00 -0.1154 166 CuH4S3-b 0.17995E-08 -8.7448 0.13797E-08 -8.8602 0.76672E+00 -0.1154 179 MgSO4,aq 0.34678E-09 -9.4599 0.34678E-09 -9.4599 0.10000E+01 0.0000 180 MnCl2,aq 0.10069E-10 -10.9970 0.10069E-10 -10.9970 0.10000E+01 0.0000 182 MnCO3,aq 0.31898E-08 -8.4962 0.31898E-08 -8.4962 0.10000E+01 0.0000 183 NaCO3- 0.47860E-05 -5.3200 0.36695E-05 -5.4354 0.76672E+00 -0.1154 184 NaHCO3,aq 0.27625E-04 -4.5587 0.27625E-04 -4.5587 0.10000E+01 0.0000 185 NaHS,aq 0.31542E-05 -5.5011 0.31542E-05 -5.5011 0.10000E+01 0.0000 186 NaSO4- 0.74407E-06 -6.1284 0.57050E-06 -6.2437 0.76672E+00 -0.1154 187 PbCO3,aq 0.23476E-10 -10.6294 0.23476E-10 -10.6294 0.10000E+01 0.0000 193 Zn(HS)2,aq 0.87323E-09 -9.0589 0.87323E-09 -9.0589 0.10000E+01 0.0000 194 Zn(HS)3- 0.22579E-10 -10.6463 0.17312E-10 -10.7617 0.76672E+00 -0.1154 Charge balance for all species = 0.3525E-07 Component Molality Aq.molality ppm log[A(N)/A(H+)**Z] (total) 1 H+ 0.3592925E-07 0.2521339E-04 0.2533295E-01 0.0000 2 H2O 0.1000000E+01 0.5550800E+02 0.9968202E+06 0.0000 3 Cl- 0.4457166E-01 0.4508782E-01 0.1593426E+04 6.0886 4 SO4-- 0.4352638E-05 0.4851565E-05 0.4645703E+00 9.3190 5 HCO3- 0.2991510E-02 0.3248032E-02 0.1975569E+03 4.9170 6 HS- 0.3426758E-03 0.3699827E-03 0.1219724E+02 3.9745 7 H4SiO4 0.1537020E-02 0.1650546E-02 0.1581395E+03 -2.8133 8 Al+++ 0.3459481E-21 0.1666741E-06 0.4482848E-02 0.2337 9 Ca++ 0.4501588E-04 0.5227048E-04 0.2088249E+01 10.3264 10 Mg++ 0.3043615E-06 0.3457159E-06 0.8378375E-02 8.1517 11 Fe++ 0.7948101E-15 0.2432166E-14 0.1353982E-09 -0.4303 12 K+ 0.5445246E-02 0.5450372E-02 0.2124442E+03 5.1774 13 Na+ 0.4291444E-01 0.4349220E-01 0.9967042E+03 6.0720 14 Mn++ 0.5848779E-09 0.4022105E-08 0.2202653E-03 5.4374 15 Zn++ 0.1914142E-13 0.9058660E-09 0.5902856E-04 0.9514 16 Cu+ 0.1195933E-14 0.3271088E-07 0.2071854E-02 -7.4830 17 Pb++ 0.8246021E-15 0.1121971E-09 0.2317235E-04 -0.4077 18 Hg++ 0.1635675E-38 0.3526791E-11 0.7051943E-06 -24.1117 19 F- 0.3547745E-03 0.3579788E-03 0.6779301E+01 3.9870 Component Tot moles Aq. moles Solid moles Gas moles 1 H+ 0.1822172E+00 0.1717891E-04 -.8609229E-05 0.1822086E+00 2 H2O 0.5550825E+02 0.3781985E+02 -.1345725E-01 0.1770186E+02 3 Cl- 0.3072017E-01 0.3072017E-01 0.0000000E+00 0.1429009E-10 4 SO4-- -.4257700E-02 0.3305569E-05 0.1002171E-08 -.4261007E-02 5 HCO3- 0.1832100E+00 0.2213016E-02 0.0000000E+00 0.1809970E+00 6 HS- 0.9985820E-02 0.2520842E-03 0.5677366E-07 0.9733679E-02 7 H4SiO4 0.7855346E-02 0.1124584E-02 0.6730762E-02 0.0000000E+00 8 Al+++ 0.2253680E-05 0.1135618E-06 0.2140118E-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 0.0000000E+00 0.0000000E+00 11 Fe++ 0.8017372E-08 0.1657134E-14 0.8017370E-08 0.0000000E+00 12 K+ 0.3715700E-02 0.3713560E-02 0.2140118E-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 0.0000000E+00 0.0000000E+00 15 Zn++ 0.1530000E-07 0.6172033E-09 0.1468280E-07 0.0000000E+00 16 Cu+ 0.6237410E-07 0.2228725E-07 0.4008685E-07 0.0000000E+00 17 Pb++ 0.1110000E-07 0.7644443E-10 0.1102356E-07 0.0000000E+00 18 Hg++ 0.4000000E-08 0.2402946E-11 0.0000000E+00 0.3997597E-08 19 F- 0.2439100E-03 0.2439055E-03 0.0000000E+00 0.4526987E-08 Chg. balance for solid moles: -.2233E-16 Mass of aqueous solution: 0.683509E+03 g Temperature = 126.00 C Pressure = 2.37 bar Mixer frac. = 0.0000000 Log Log Vol Gas or mineral Moles Moles Grams Grams Wt.% (cm3) H2O,gas 17.87 1.252 321.9 2.508 97.56 0.2442E+06 CO2,gas 0.1776 -0.751 7.814 0.893 2.368 2521. CH4,gas 0.3435E-02 -2.464 0.5510E-01 -1.259 0.1670E-01 49.30 H2,gas 0.3302E-02 -2.481 0.6670E-02 -2.176 0.2022E-02 46.38 H2S,gas 0.5473E-02 -2.262 0.1865 -0.729 0.5653E-01 76.18 CO,gas 0.2153E-07 -7.667 0.6030E-06 -6.220 0.1827E-06 0.3020E-03 SO2,gas 0.3034E-15 -15.518 0.1943E-13 -13.711 0.5890E-14 0.4256E-11 HF,gas 0.4527E-08 -8.344 0.9054E-07 -7.043 0.2744E-07 0.6350E-04 HCl,gas 0.1429E-10 -10.845 0.5210E-09 -9.283 0.1579E-09 0.2005E-06 Hg,gas 0.3998E-08 -8.398 0.8019E-06 -6.096 0.2430E-06 0.5608E-04 microcline 0.2140E-05 -5.670 0.5957E-03 -3.225 0.1472 0.2327E-03 quartz 0.6724E-02 -2.172 0.4040 -0.394 99.85 0.1526 bornite 0.8017E-08 -8.096 0.4023E-05 -5.395 0.9943E-03 0.7915E-06 galena 0.1102E-07 -7.958 0.2637E-05 -5.579 0.6518E-03 0.3471E-06 sphalerite 0.1468E-07 -7.833 0.1431E-05 -5.844 0.3536E-03 0.3499E-06 Partial press. Fugacity coef Log fugacity Gas or Mineral Mole fraction or activity Activity coef Log activity H2O,gas 0.9895E+00 0.2341E+01 0.9745 0.358 CO2,gas 0.9830E-02 0.2326E-01 1.0114 -1.629 CH4,gas 0.1902E-03 0.4500E-03 1.0228 -3.337 H2,gas 0.1828E-03 0.4325E-03 1.0012 -3.364 H2S,gas 0.3030E-03 0.7168E-03 0.9924 -3.148 CO,gas 0.1192E-08 0.2819E-08 1.0000 -8.550 SO2,gas 0.1680E-16 0.3973E-16 1.0000 -16.401 HF,gas 0.2506E-09 0.5929E-09 1.0000 -9.227 HCl,gas 0.7911E-12 0.1872E-11 1.0000 -11.728 Hg,gas 0.2213E-09 0.5236E-09 1.0000 -9.281 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: 32.543793 % Solid products produced: Mass = 0.404602 g Volume = 0.152802 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 -0.14900E-09 2 CO2,gas -8.19 -8.19 -0.00 -0.000 0.68133E-10 3 CH4,gas 3.28 3.28 -0.00 -0.000 0.13221E-09 4 H2,gas 6.18 6.18 -0.00 -0.000 0.64888E-11 5 H2S,gas -7.61 -7.61 0.00 0.000 -0.42177E-10 6 CO,gas 1.17 1.17 -0.00 -0.000 0.40555E-12 7 SO2,gas -1.68 -1.68 0.00 0.000 -0.16222E-11 8 HF,gas -1.52 -1.52 0.00 0.000 -0.12167E-11 9 HCl,gas 3.08 3.08 -0.00 -0.000 0.40555E-11 10 Hg,gas -12.02 -12.02 -0.00 -0.000 0.32444E-11 112 microcline -3.03 -3.03 -0.00 -0.000 0.14600E-10 143 quartz -2.81 -2.81 0.00 0.000 0.00000E+00 196 bornite -83.61 -83.61 -0.00 -0.000 0.25955E-10 247 galena -11.54 -11.54 -0.00 -0.000 0.32444E-11 258 sphalerite -10.18 -10.18 -0.00 -0.000 0.97333E-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 -0.21 -2.13 -1.93 -0.148 0.35189E+04 16 albite -1.16 -2.13 -0.98 -0.075 0.17848E+04 20 analcite 2.36 0.68 -1.68 -0.187 0.30758E+04 24 anhydrite -5.80 -10.57 -4.77 -2.385 0.87105E+04 27 phlogopite 23.83 21.43 -2.40 -0.134 0.43920E+04 29 anorthite 9.84 5.17 -4.67 -0.359 0.85282E+04 32 aragonite 0.60 0.13 -0.46 -0.154 0.84363E+03 33 brucite 11.58 8.15 -3.43 -0.686 0.62685E+04 34 calcite 0.44 0.13 -0.30 -0.102 0.55692E+03 35 carnegieite-low 7.69 3.49 -4.20 -0.600 0.76707E+04 37 carpholite-Mg 6.21 2.99 -3.22 -0.214 0.58752E+04 39 celadonite 4.21 2.31 -1.90 -0.112 0.34732E+04 41 chrysotile 21.71 18.83 -2.88 -0.240 0.52628E+04 44 chloritoid-Mg 10.39 5.81 -4.59 -0.306 0.83808E+04 48 coesite -2.23 -2.81 -0.58 -0.194 0.10607E+04 55 cristobalite -2.44 -2.81 -0.38 -0.125 0.68529E+03 58 cymrite-K 0.91 -3.03 -3.94 -0.329 0.72008E+04 60 diaspore 1.90 0.23 -1.66 -0.277 0.30345E+04 61 diamond -2.77 -5.31 -2.54 -0.726 0.46405E+04 62 diopside 14.70 12.85 -1.85 -0.185 0.33830E+04 64 dolomite,ordered -0.28 -1.91 -1.63 -0.271 0.29708E+04 66 enstatite 15.50 10.68 -4.82 -0.482 0.88008E+04 68 clinoenstatite 15.40 10.68 -4.73 -0.473 0.86351E+04 78 gibbsite 3.12 0.23 -2.88 -0.412 0.52677E+04 79 glaucophane 19.37 14.56 -4.81 -0.130 0.87920E+04 82 graphite -3.20 -5.31 -2.11 -0.603 0.38562E+04 85 halite 1.51 -2.95 -4.46 -2.231 0.81489E+04 87 heulandite -7.28 -8.90 -1.62 -0.074 0.29650E+04 91 jadeite 3.28 0.68 -2.60 -0.260 0.47511E+04 93 kalsilite 6.41 2.60 -3.81 -0.544 0.69564E+04 94 kaolinite -2.77 -5.16 -2.39 -0.218 0.43712E+04 97 laumontite 1.06 -0.46 -1.52 -0.101 0.27772E+04 98 lawsonite 7.42 5.17 -2.25 -0.150 0.41058E+04 99 leucite 3.08 -0.22 -3.29 -0.329 0.60171E+04 101 lizardite 21.14 18.83 -2.32 -0.193 0.42291E+04 102 magnesite 0.17 -2.04 -2.21 -0.736 0.40312E+04 116 muscovite 0.09 -2.56 -2.65 -0.156 0.48362E+04 117 paragonite 1.57 -1.67 -3.24 -0.190 0.59126E+04 118 nepheline 7.04 3.49 -3.55 -0.507 0.64840E+04 130 phlogopite-Na 26.15 22.32 -3.83 -0.213 0.69988E+04 132 prehnite 16.19 12.68 -3.51 -0.206 0.64096E+04 138 pyrite -20.59 -25.14 -4.55 -1.072 0.83190E+04 141 pyroxmangite 6.71 2.62 -4.09 -0.818 0.74716E+04 142 pyrophyllite -7.46 -10.79 -3.33 -0.208 0.60799E+04 148 rhodochrosite -1.27 -4.76 -3.49 -1.162 0.63685E+04 149 rhodonite 6.75 2.62 -4.13 -0.826 0.75442E+04 150 sanidine -1.90 -3.03 -1.13 -0.087 0.20678E+04 160 stilbite -8.34 -8.90 -0.56 -0.026 0.10154E+04 162 stilpnomelane-Mg 22.92 21.31 -1.62 -0.048 0.29522E+04 166 sulfur -8.92 -13.58 -4.65 -1.431 0.84969E+04 168 talc 14.64 13.20 -1.43 -0.084 0.26182E+04 176 tridymite -2.49 -2.81 -0.32 -0.108 0.58932E+03 177 tremolite 43.09 38.90 -4.19 -0.113 0.76479E+04 185 wairakite 1.81 -0.46 -2.27 -0.133 0.41375E+04 186 walstromite 10.63 7.51 -3.12 -0.624 0.56981E+04 187 wollastonite 9.66 7.51 -2.14 -0.428 0.39130E+04 188 pseudo-wollastonite 10.14 7.51 -2.63 -0.526 0.48008E+04 191 beidellite-Ca -3.55 -8.08 -4.53 -0.280 0.82686E+04 193 beidellite-K -3.31 -8.07 -4.76 -0.291 0.86909E+04 194 beidellite-Mg -3.71 -8.44 -4.72 -0.292 0.86228E+04 195 beidellite-Na -3.17 -7.78 -4.61 -0.282 0.84125E+04 198 chalcedony -2.64 -2.81 -0.17 -0.058 0.31883E+03 199 chalcocite -26.05 -26.10 -0.05 -0.013 0.94790E+02 200 covellite -18.76 -19.84 -1.08 -0.412 0.19734E+04 201 dawsonite 0.97 -3.89 -4.86 -0.607 0.88699E+04 202 montmorillonite-Ca -3.67 -6.47 -2.80 -0.173 0.51134E+04 203 montmorillonite-K -3.51 -6.46 -2.95 -0.181 0.53946E+04 204 montmorillonite-Mg -3.88 -6.83 -2.95 -0.183 0.53894E+04 205 montmorillonite-Na -3.34 -6.17 -2.83 -0.173 0.51680E+04 227 tobermorite 9.42 5.79 -3.63 -0.991 0.66347E+04 233 alabandite -1.34 -5.70 -4.35 -1.451 0.79528E+04 238 boehmite 3.27 0.23 -3.04 -0.506 0.55484E+04 240 chalcopyrite -27.39 -31.40 -4.01 -0.746 0.73231E+04 243 copper,native -2.59 -6.26 -3.68 -1.279 0.67146E+04 244 dolomite,disordered 0.34 -1.91 -2.24 -0.374 0.40976E+04 246 fluorite -10.09 -11.92 -1.83 -0.608 0.33333E+04 255 silica-amorphous -2.01 -2.81 -0.81 -0.269 0.14738E+04 259 wurtzite -8.47 -10.18 -1.71 -0.572 0.31317E+04 261 an20ab80 0.82 -0.67 -1.50 -0.115 0.27357E+04 262 an25ab75 1.35 -0.31 -1.66 -0.127 0.30245E+04 263 an30ab70 1.88 0.06 -1.82 -0.140 0.33225E+04 Calculations done for 126.0000 Deg. C; 2.3657 bar Enthalpies: Pure water 2.2836 kcal/mole H2O,gas 11.7466 kcal/mole CO2,gas 1.2135 kcal/mole CH4,gas 1.1710 kcal/mole Current solution 86.3676 Gas 210.1630 kcal Total current enthalpy 296.5306 kcal Starting enthalpy 296.5306 kcal Temperature changed by -2.000 degrees to 124.000 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 = 8 Loop limit = 200 Temperature = 124.00 C Pressure = 2.22 bar Mixer fraction = 0.0000000 Total current enthalpy = 296.5306 KCAL Water: Moles liquid = 0.3765E+02 kg liquid = 0.6783E+00 Moles total = 0.5551E+02 kg total = 0.1000E+01 Activity = 1.0000 Stoichiometric ionic strength = .4933451E-01 Osmotic coef. = 0.9317 True ionic strength = .4875082E-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+ 0.34450E-07 -7.4628 0.26749E-07 -7.5727 0.77646E+00 -0.1099 2 H2O 0.10000E+01 -0.0000 0.10000E+01 -0.0000 3 Cl- 0.44782E-01 -1.3489 0.34369E-01 -1.4638 0.76747E+00 -0.1149 4 SO4-- 0.46395E-05 -5.3335 0.17323E-05 -5.7614 0.37337E+00 -0.4279 5 HCO3- 0.30112E-02 -2.5213 0.23192E-02 -2.6347 0.77021E+00 -0.1134 6 HS- 0.33772E-03 -3.4714 0.25929E-03 -3.5862 0.76775E+00 -0.1148 7 H4SiO4 0.14907E-02 -2.8266 0.14907E-02 -2.8266 0.10000E+01 0.0000 8 Al+++ 0.34441E-21 -21.4629 0.37232E-22 -22.4291 0.10810E+00 -0.9662 9 Ca++ 0.45335E-04 -4.3436 0.16650E-04 -4.7786 0.36727E+00 -0.4350 10 Mg++ 0.30677E-06 -6.5132 0.11146E-06 -6.9529 0.36334E+00 -0.4397 11 Fe++ 0.54141E-15 -15.2665 0.19723E-15 -15.7050 0.36428E+00 -0.4386 12 K+ 0.54700E-02 -2.2620 0.42159E-02 -2.3751 0.77072E+00 -0.1131 13 Na+ 0.43117E-01 -1.3654 0.33082E-01 -1.4804 0.76725E+00 -0.1151 14 Mn++ 0.56594E-09 -9.2472 0.20657E-09 -9.6849 0.36500E+00 -0.4377 15 Zn++ 0.18026E-13 -13.7441 0.65664E-14 -14.1827 0.36428E+00 -0.4386 16 Cu+ 0.10734E-14 -14.9692 0.82346E-15 -15.0844 0.76716E+00 -0.1151 17 Pb++ 0.72551E-15 -15.1394 0.26830E-15 -15.5714 0.36981E+00 -0.4320 18 Hg++ 0.13061E-38 -38.8840 0.48142E-39 -39.3175 0.36860E+00 -0.4334 19 F- 0.35645E-03 -3.4480 0.27206E-03 -3.5653 0.76324E+00 -0.1173 21 HSiO3- 0.85012E-04 -4.0705 0.65244E-04 -4.1855 0.76747E+00 -0.1149 22 Ca(HSiO3)+ 0.49080E-07 -7.3091 0.37846E-07 -7.4220 0.77111E+00 -0.1129 23 Mg(HSiO3)+ 0.37013E-09 -9.4317 0.28541E-09 -9.5445 0.77111E+00 -0.1129 24 NaHSiO3,aq 0.28273E-04 -4.5486 0.28273E-04 -4.5486 0.10000E+01 0.0000 27 HAlO2,aq 0.76652E-09 -9.1155 0.76652E-09 -9.1155 0.10000E+01 0.0000 28 AlO2- 0.15258E-06 -6.8165 0.11655E-06 -6.9335 0.76381E+00 -0.1170 29 CH4,aq 0.33489E-06 -6.4751 0.32996E-06 -6.4815 0.98529E+00 -0.0064 35 CO2,aq 0.19003E-03 -3.7212 0.18723E-03 -3.7276 0.98529E+00 -0.0064 36 CO3-2 0.17758E-04 -4.7506 0.65984E-05 -5.1806 0.37157E+00 -0.4300 37 CaCO3,aq 0.26731E-05 -5.5730 0.26731E-05 -5.5730 0.10000E+01 0.0000 38 Ca(HCO3)+ 0.20317E-05 -5.6921 0.15667E-05 -5.8050 0.77111E+00 -0.1129 39 CaCl+ 0.19956E-05 -5.6999 0.15388E-05 -5.8128 0.77111E+00 -0.1129 40 CaCl2,aq 0.13011E-07 -7.8857 0.13011E-07 -7.8857 0.10000E+01 0.0000 41 CaF+ 0.14400E-06 -6.8416 0.11104E-06 -6.9545 0.77111E+00 -0.1129 42 CaOH+ 0.25094E-06 -6.6004 0.19351E-06 -6.7133 0.77111E+00 -0.1129 43 CaSO4,aq 0.14097E-07 -7.8509 0.14097E-07 -7.8509 0.10000E+01 0.0000 44 HCl,aq 0.20265E-09 -9.6933 0.20265E-09 -9.6933 0.10000E+01 0.0000 61 HF,aq 0.87532E-07 -7.0578 0.87532E-07 -7.0578 0.10000E+01 0.0000 62 HF2- 0.10884E-10 -10.9632 0.83528E-11 -11.0782 0.76747E+00 -0.1149 76 H2,aq 0.35805E-06 -6.4461 0.35278E-06 -6.4525 0.98529E+00 -0.0064 90 KCl,aq 0.45879E-05 -5.3384 0.45879E-05 -5.3384 0.10000E+01 0.0000 92 KOH,aq 0.18004E-06 -6.7446 0.18004E-06 -6.7446 0.10000E+01 0.0000 93 KSO4- 0.20937E-06 -6.6791 0.16069E-06 -6.7940 0.76747E+00 -0.1149 94 MgCO3,aq 0.38502E-08 -8.4145 0.38502E-08 -8.4145 0.10000E+01 0.0000 95 Mg(HCO3)+ 0.13890E-07 -7.8573 0.10711E-07 -7.9702 0.77111E+00 -0.1129 96 MgCl+ 0.10761E-07 -7.9681 0.82983E-08 -8.0810 0.77111E+00 -0.1129 97 MgF+ 0.33728E-08 -8.4720 0.26008E-08 -8.5849 0.77111E+00 -0.1129 98 MgOH+ 0.79017E-08 -8.1023 0.60930E-08 -8.2152 0.77111E+00 -0.1129 102 MnOH+ 0.92409E-10 -10.0343 0.71257E-10 -10.1472 0.77111E+00 -0.1129 107 MnCl+ 0.12040E-09 -9.9194 0.92843E-10 -10.0323 0.77111E+00 -0.1129 109 NaCl,aq 0.50303E-03 -3.2984 0.50303E-03 -3.2984 0.10000E+01 0.0000 110 NaF,aq 0.29145E-05 -5.5354 0.29145E-05 -5.5354 0.10000E+01 0.0000 111 NaOH,aq 0.12673E-05 -5.8971 0.12673E-05 -5.8971 0.10000E+01 0.0000 113 OH- 0.59493E-04 -4.2255 0.45442E-04 -4.3425 0.76381E+00 -0.1170 124 Pb(HS)2,aq 0.78439E-10 -10.1055 0.78439E-10 -10.1055 0.10000E+01 0.0000 126 H2S,aq 0.22247E-04 -4.6527 0.21920E-04 -4.6592 0.98529E+00 -0.0064 127 S2-2 0.43641E-10 -10.3601 0.16215E-10 -10.7901 0.37157E+00 -0.4300 135 HSO4- 0.13285E-09 -9.8767 0.10266E-09 -9.9886 0.77279E+00 -0.1119 164 Cu(HS)2- 0.30914E-07 -7.5098 0.23726E-07 -7.6248 0.76747E+00 -0.1149 166 CuH4S3-b 0.19439E-08 -8.7113 0.14919E-08 -8.8263 0.76747E+00 -0.1149 179 MgSO4,aq 0.36053E-09 -9.4431 0.36053E-09 -9.4431 0.10000E+01 0.0000 182 MnCO3,aq 0.32468E-08 -8.4885 0.32468E-08 -8.4885 0.10000E+01 0.0000 183 NaCO3- 0.50060E-05 -5.3005 0.38420E-05 -5.4154 0.76747E+00 -0.1149 184 NaHCO3,aq 0.27404E-04 -4.5622 0.27404E-04 -4.5622 0.10000E+01 0.0000 185 NaHS,aq 0.30637E-05 -5.5138 0.30637E-05 -5.5138 0.10000E+01 0.0000 186 NaSO4- 0.78668E-06 -6.1042 0.60375E-06 -6.2191 0.76747E+00 -0.1149 187 PbCO3,aq 0.21288E-10 -10.6719 0.21288E-10 -10.6719 0.10000E+01 0.0000 193 Zn(HS)2,aq 0.80344E-09 -9.0950 0.80344E-09 -9.0950 0.10000E+01 0.0000 194 Zn(HS)3- 0.20474E-10 -10.6888 0.15713E-10 -10.8037 0.76747E+00 -0.1149 Charge balance for all species = 0.3541E-07 Component Molality Aq.molality ppm log[A(N)/A(H+)**Z] (total) 1 H+ 0.3444996E-07 0.1171645E-04 0.1177190E-01 0.0000 2 H2O 0.1000000E+01 0.5550801E+02 0.9968116E+06 0.0000 3 Cl- 0.4478190E-01 0.4529155E-01 0.1600612E+04 6.1089 4 SO4-- 0.4639537E-05 0.5225790E-05 0.5004005E+00 9.3840 5 HCO3- 0.3011206E-02 0.3256460E-02 0.1980679E+03 4.9380 6 HS- 0.3377243E-03 0.3635292E-03 0.1198438E+02 3.9865 7 H4SiO4 0.1490717E-02 0.1604051E-02 0.1536834E+03 -2.8266 8 Al+++ 0.3444081E-21 0.1533514E-06 0.4124486E-02 0.2890 9 Ca++ 0.4533515E-04 0.5250666E-04 0.2097666E+01 10.3668 10 Mg++ 0.3067714E-06 0.3472780E-06 0.8416158E-02 8.1925 11 Fe++ 0.5414089E-15 0.1609049E-14 0.8957465E-10 -0.5597 12 K+ 0.5470008E-02 0.5474985E-02 0.2134017E+03 5.1976 13 Na+ 0.4311696E-01 0.4368871E-01 0.1001199E+04 6.0923 14 Mn++ 0.5659445E-09 0.4040279E-08 0.2212586E-03 5.4604 15 Zn++ 0.1802569E-13 0.8327664E-09 0.5426473E-04 0.9627 16 Cu+ 0.1073399E-14 0.3285867E-07 0.2081197E-02 -7.5117 17 Pb++ 0.7255055E-15 0.1005496E-09 0.2076659E-04 -0.4260 18 Hg++ 0.1306075E-38 0.3418642E-11 0.6835634E-06 -24.1721 19 F- 0.3564473E-03 0.3595968E-03 0.6809882E+01 4.0074 Component Tot moles Aq. moles Solid moles Gas moles 1 H+ 0.1822172E+00 0.7946985E-05 -.8647479E-05 0.1822179E+00 2 H2O 0.5550825E+02 0.3764974E+02 -.1353042E-01 0.1787204E+02 3 Cl- 0.3072017E-01 0.3072017E-01 0.0000000E+00 0.1293612E-10 4 SO4-- -.4257700E-02 0.3544528E-05 0.1002171E-08 -.4261246E-02 5 HCO3- 0.1832100E+00 0.2208779E-02 0.0000000E+00 0.1810012E+00 6 HS- 0.9985820E-02 0.2465731E-03 0.5683427E-07 0.9739190E-02 7 H4SiO4 0.7855346E-02 0.1087989E-02 0.6767357E-02 0.0000000E+00 8 Al+++ 0.2253680E-05 0.1040146E-06 0.2149666E-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 0.0000000E+00 0.0000000E+00 11 Fe++ 0.8017372E-08 0.1091379E-14 0.8017371E-08 0.0000000E+00 12 K+ 0.3715700E-02 0.3713550E-02 0.2149666E-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 0.0000000E+00 0.0000000E+00 15 Zn++ 0.1530000E-07 0.5648454E-09 0.1473515E-07 0.0000000E+00 16 Cu+ 0.6237410E-07 0.2228725E-07 0.4008685E-07 0.0000000E+00 17 Pb++ 0.1110000E-07 0.6820038E-10 0.1103180E-07 0.0000000E+00 18 Hg++ 0.4000000E-08 0.2318782E-11 0.0000000E+00 0.3997681E-08 19 F- 0.2439100E-03 0.2439058E-03 0.0000000E+00 0.4187459E-08 Chg. balance for solid moles: -.1201E-16 Mass of aqueous solution: 0.680441E+03 g Temperature = 124.00 C Pressure = 2.22 bar Mixer frac. = 0.0000000 Log Log Vol Gas or mineral Moles Moles Grams Grams Wt.% (cm3) H2O,gas 18.04 1.256 325.0 2.512 97.58 0.2611E+06 CO2,gas 0.1775 -0.751 7.814 0.893 2.346 2666. CH4,gas 0.3454E-02 -2.462 0.5540E-01 -1.256 0.1664E-01 52.40 H2,gas 0.3229E-02 -2.491 0.6523E-02 -2.186 0.1959E-02 47.99 H2S,gas 0.5478E-02 -2.261 0.1867 -0.729 0.5606E-01 80.72 CO,gas 0.1958E-07 -7.708 0.5484E-06 -6.261 0.1647E-06 0.2906E-03 SO2,gas 0.2592E-15 -15.586 0.1661E-13 -13.780 0.4986E-14 0.3848E-11 HF,gas 0.4187E-08 -8.378 0.8375E-07 -7.077 0.2515E-07 0.6215E-04 HCl,gas 0.1294E-10 -10.888 0.4717E-09 -9.326 0.1416E-09 0.1920E-06 Hg,gas 0.3998E-08 -8.398 0.8019E-06 -6.096 0.2408E-06 0.5934E-04 microcline 0.2150E-05 -5.668 0.5983E-03 -3.223 0.1471 0.2337E-03 quartz 0.6761E-02 -2.170 0.4062 -0.391 99.85 0.1534 bornite 0.8017E-08 -8.096 0.4023E-05 -5.395 0.9890E-03 0.7915E-06 galena 0.1103E-07 -7.957 0.2639E-05 -5.579 0.6488E-03 0.3474E-06 sphalerite 0.1474E-07 -7.832 0.1436E-05 -5.843 0.3529E-03 0.3511E-06 Partial press. Fugacity coef Log fugacity Gas or Mineral Mole fraction or activity Activity coef Log activity H2O,gas 0.9896E+00 0.2201E+01 0.9756 0.332 CO2,gas 0.9738E-02 0.2166E-01 1.0110 -1.660 CH4,gas 0.1894E-03 0.4214E-03 1.0218 -3.366 H2,gas 0.1771E-03 0.3940E-03 1.0011 -3.404 H2S,gas 0.3004E-03 0.6684E-03 0.9927 -3.178 CO,gas 0.1074E-08 0.2389E-08 1.0000 -8.622 SO2,gas 0.1422E-16 0.3163E-16 1.0000 -16.500 HF,gas 0.2297E-09 0.5109E-09 1.0000 -9.292 HCl,gas 0.7095E-12 0.1578E-11 1.0000 -11.802 Hg,gas 0.2193E-09 0.4878E-09 1.0000 -9.312 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: 32.846173 % Solid products produced: Mass = 0.406802 g Volume = 0.153632 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 -0.12207E-09 2 CO2,gas -8.20 -8.20 -0.00 -0.000 0.61335E-10 3 CH4,gas 3.25 3.25 -0.00 -0.000 0.10572E-09 4 H2,gas 6.19 6.19 -0.00 -0.000 0.64563E-11 5 H2S,gas -7.63 -7.63 0.00 0.000 -0.35510E-10 6 CO,gas 1.20 1.20 0.00 0.000 0.00000E+00 7 SO2,gas -1.62 -1.62 -0.00 -0.000 0.40352E-11 8 HF,gas -1.50 -1.50 0.00 0.000 -0.24211E-11 9 HCl,gas 3.11 3.11 -0.00 -0.000 0.32282E-11 10 Hg,gas -12.08 -12.08 -0.00 -0.000 0.32282E-11 112 microcline -2.99 -2.99 -0.00 -0.000 0.16948E-10 143 quartz -2.83 -2.83 0.00 0.000 0.00000E+00 196 bornite -83.97 -83.97 0.00 0.000 0.00000E+00 247 galena -11.58 -11.58 0.00 0.000 -0.32282E-11 258 sphalerite -10.20 -10.20 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 15 albite-high -0.15 -2.10 -1.95 -0.150 0.35473E+04 16 albite -1.11 -2.10 -0.99 -0.076 0.18052E+04 20 analcite 2.43 0.73 -1.70 -0.189 0.30905E+04 24 anhydrite -5.77 -10.54 -4.77 -2.385 0.86701E+04 27 phlogopite 24.06 21.58 -2.47 -0.137 0.44954E+04 29 anorthite 10.04 5.29 -4.75 -0.365 0.86269E+04 32 aragonite 0.62 0.16 -0.46 -0.154 0.84123E+03 33 brucite 11.65 8.19 -3.46 -0.692 0.62903E+04 34 calcite 0.47 0.16 -0.31 -0.102 0.55595E+03 35 carnegieite-low 7.79 3.55 -4.23 -0.604 0.76886E+04 37 carpholite-Mg 6.38 3.12 -3.26 -0.217 0.59219E+04 39 celadonite 4.29 2.37 -1.92 -0.113 0.34817E+04 41 chrysotile 21.86 18.92 -2.94 -0.245 0.53407E+04 44 chloritoid-Mg 10.59 5.94 -4.65 -0.310 0.84482E+04 48 coesite -2.24 -2.83 -0.58 -0.194 0.10599E+04 55 cristobalite -2.45 -2.83 -0.38 -0.126 0.68837E+03 58 cymrite-K 0.97 -2.99 -3.96 -0.330 0.71954E+04 60 diaspore 1.96 0.29 -1.68 -0.279 0.30450E+04 61 diamond -2.79 -5.33 -2.54 -0.726 0.46175E+04 62 diopside 14.81 12.91 -1.90 -0.190 0.34559E+04 64 dolomite,ordered -0.22 -1.86 -1.63 -0.272 0.29694E+04 66 enstatite 15.62 10.73 -4.89 -0.489 0.88835E+04 68 clinoenstatite 15.53 10.73 -4.80 -0.480 0.87176E+04 78 gibbsite 3.19 0.29 -2.90 -0.414 0.52643E+04 79 glaucophane 19.62 14.73 -4.90 -0.132 0.88972E+04 82 graphite -3.22 -5.33 -2.11 -0.603 0.38352E+04 85 halite 1.52 -2.94 -4.46 -2.231 0.81084E+04 87 heulandite -7.18 -8.84 -1.66 -0.076 0.30187E+04 91 jadeite 3.35 0.73 -2.62 -0.262 0.47565E+04 93 kalsilite 6.49 2.66 -3.83 -0.547 0.69587E+04 94 kaolinite -2.67 -5.08 -2.41 -0.219 0.43773E+04 97 laumontite 1.19 -0.36 -1.55 -0.103 0.28130E+04 98 lawsonite 7.57 5.29 -2.28 -0.152 0.41407E+04 99 leucite 3.15 -0.17 -3.32 -0.332 0.60288E+04 101 lizardite 21.29 18.92 -2.37 -0.197 0.43013E+04 102 magnesite 0.20 -2.01 -2.22 -0.740 0.40317E+04 116 muscovite 0.26 -2.42 -2.68 -0.157 0.48632E+04 117 paragonite 1.76 -1.52 -3.28 -0.193 0.59559E+04 118 nepheline 7.13 3.55 -3.58 -0.511 0.65031E+04 130 phlogopite-Na 26.40 22.48 -3.92 -0.218 0.71220E+04 132 prehnite 16.41 12.83 -3.58 -0.211 0.65089E+04 138 pyrite -20.63 -25.31 -4.68 -1.102 0.85085E+04 141 pyroxmangite 6.76 2.63 -4.13 -0.826 0.75038E+04 142 pyrophyllite -7.37 -10.73 -3.36 -0.210 0.61045E+04 148 rhodochrosite -1.25 -4.75 -3.50 -1.166 0.63594E+04 149 rhodonite 6.80 2.63 -4.17 -0.834 0.75769E+04 150 sanidine -1.86 -2.99 -1.14 -0.088 0.20678E+04 160 stilbite -8.29 -8.84 -0.55 -0.026 0.99700E+03 162 stilpnomelane-Mg 23.24 21.53 -1.71 -0.051 0.31102E+04 166 sulfur -8.94 -13.60 -4.66 -1.433 0.84620E+04 168 talc 14.76 13.27 -1.49 -0.088 0.27130E+04 176 tridymite -2.50 -2.83 -0.33 -0.108 0.59117E+03 177 tremolite 43.43 39.08 -4.34 -0.117 0.78925E+04 185 wairakite 1.95 -0.36 -2.32 -0.136 0.42073E+04 186 walstromite 10.69 7.54 -3.15 -0.631 0.57329E+04 187 wollastonite 9.71 7.54 -2.17 -0.434 0.39473E+04 188 pseudo-wollastonite 10.20 7.54 -2.66 -0.532 0.48375E+04 191 beidellite-Ca -3.42 -7.99 -4.57 -0.283 0.83097E+04 193 beidellite-K -3.19 -7.99 -4.80 -0.294 0.87158E+04 194 beidellite-Mg -3.58 -8.35 -4.77 -0.295 0.86653E+04 195 beidellite-Na -3.04 -7.69 -4.65 -0.285 0.84431E+04 198 chalcedony -2.65 -2.83 -0.18 -0.058 0.31883E+03 199 chalcocite -26.18 -26.18 -0.00 -0.001 0.43782E+01 200 covellite -18.84 -19.89 -1.05 -0.399 0.19041E+04 201 dawsonite 1.02 -3.83 -4.84 -0.606 0.88037E+04 202 montmorillonite-Ca -3.57 -6.41 -2.83 -0.175 0.51517E+04 203 montmorillonite-K -3.42 -6.41 -2.98 -0.183 0.54182E+04 204 montmorillonite-Mg -3.78 -6.77 -2.99 -0.185 0.54288E+04 205 montmorillonite-Na -3.25 -6.11 -2.86 -0.175 0.51957E+04 227 tobermorite 9.45 5.81 -3.64 -0.993 0.66145E+04 233 alabandite -1.32 -5.70 -4.38 -1.461 0.79632E+04 238 boehmite 3.35 0.29 -3.06 -0.511 0.55666E+04 240 chalcopyrite -27.48 -31.61 -4.13 -0.768 0.74996E+04 243 copper,native -2.62 -6.29 -3.68 -1.278 0.66790E+04 244 dolomite,disordered 0.40 -1.86 -2.26 -0.376 0.41016E+04 246 fluorite -10.08 -11.91 -1.83 -0.609 0.33207E+04 255 silica-amorphous -2.01 -2.83 -0.81 -0.271 0.14774E+04 259 wurtzite -8.47 -10.20 -1.72 -0.574 0.31318E+04 261 an20ab80 0.91 -0.62 -1.53 -0.117 0.27738E+04 262 an25ab75 1.44 -0.25 -1.69 -0.130 0.30668E+04 263 an30ab70 1.97 0.12 -1.85 -0.143 0.33690E+04 Calculations done for 124.0000 Deg. C; 2.2246 bar Enthalpies: Pure water 2.2468 kcal/mole H2O,gas 11.7344 kcal/mole CO2,gas 1.1897 kcal/mole CH4,gas 1.1475 kcal/mole Current solution 84.5933 Gas 211.9373 kcal Total current enthalpy 296.5306 kcal Starting enthalpy 296.5306 kcal Temperature changed by -2.000 degrees to 122.000 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 = 8 Loop limit = 200 Temperature = 122.00 C Pressure = 2.09 bar Mixer fraction = 0.0000000 Total current enthalpy = 296.5306 KCAL Water: Moles liquid = 0.3748E+02 kg liquid = 0.6752E+00 Moles total = 0.5551E+02 kg total = 0.1000E+01 Activity = 1.0000 Stoichiometric ionic strength = .4955088E-01 Osmotic coef. = 0.9321 True ionic strength = .4898066E-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+ 0.33027E-07 -7.4811 0.25669E-07 -7.5906 0.77722E+00 -0.1095 2 H2O 0.10000E+01 -0.0000 0.10000E+01 -0.0000 3 Cl- 0.44992E-01 -1.3469 0.34564E-01 -1.4614 0.76821E+00 -0.1145 4 SO4-- 0.49438E-05 -5.3059 0.18527E-05 -5.7322 0.37475E+00 -0.4263 5 HCO3- 0.30309E-02 -2.5184 0.23365E-02 -2.6314 0.77091E+00 -0.1130 6 HS- 0.33275E-03 -3.4779 0.25571E-03 -3.5922 0.76848E+00 -0.1144 7 H4SiO4 0.14456E-02 -2.8399 0.14456E-02 -2.8399 0.10000E+01 0.0000 8 Al+++ 0.34292E-21 -21.4648 0.37390E-22 -22.4272 0.10903E+00 -0.9624 9 Ca++ 0.45651E-04 -4.3406 0.16830E-04 -4.7739 0.36867E+00 -0.4334 10 Mg++ 0.30916E-06 -6.5098 0.11277E-06 -6.9478 0.36476E+00 -0.4380 11 Fe++ 0.37047E-15 -15.4312 0.13548E-15 -15.8681 0.36570E+00 -0.4369 12 K+ 0.54948E-02 -2.2600 0.42388E-02 -2.3728 0.77141E+00 -0.1127 13 Na+ 0.43320E-01 -1.3633 0.33269E-01 -1.4780 0.76798E+00 -0.1146 14 Mn++ 0.54716E-09 -9.2619 0.20048E-09 -9.6979 0.36641E+00 -0.4360 15 Zn++ 0.16967E-13 -13.7704 0.62048E-14 -14.2073 0.36570E+00 -0.4369 16 Cu+ 0.96153E-15 -15.0170 0.73835E-15 -15.1317 0.76789E+00 -0.1147 17 Pb++ 0.63781E-15 -15.1953 0.23675E-15 -15.6257 0.37119E+00 -0.4304 18 Hg++ 0.10407E-38 -38.9827 0.38503E-39 -39.4145 0.36999E+00 -0.4318 19 F- 0.35812E-03 -3.4460 0.27363E-03 -3.5628 0.76407E+00 -0.1169 21 HSiO3- 0.84373E-04 -4.0738 0.64816E-04 -4.1883 0.76821E+00 -0.1145 22 Ca(HSiO3)+ 0.47487E-07 -7.3234 0.36650E-07 -7.4359 0.77180E+00 -0.1125 23 Mg(HSiO3)+ 0.36134E-09 -9.4421 0.27888E-09 -9.5546 0.77180E+00 -0.1125 24 NaHSiO3,aq 0.28687E-04 -4.5423 0.28687E-04 -4.5423 0.10000E+01 0.0000 27 HAlO2,aq 0.71141E-09 -9.1479 0.71141E-09 -9.1479 0.10000E+01 0.0000 28 AlO2- 0.14028E-06 -6.8530 0.10726E-06 -6.9695 0.76463E+00 -0.1166 29 CH4,aq 0.31110E-06 -6.5071 0.30651E-06 -6.5135 0.98527E+00 -0.0064 35 CO2,aq 0.17859E-03 -3.7482 0.17595E-03 -3.7546 0.98527E+00 -0.0064 36 CO3-2 0.18770E-04 -4.7265 0.70006E-05 -5.1549 0.37296E+00 -0.4283 37 CaCO3,aq 0.27149E-05 -5.5663 0.27149E-05 -5.5663 0.10000E+01 0.0000 38 Ca(HCO3)+ 0.19858E-05 -5.7021 0.15326E-05 -5.8146 0.77180E+00 -0.1125 39 CaCl+ 0.19414E-05 -5.7119 0.14983E-05 -5.8244 0.77180E+00 -0.1125 40 CaCl2,aq 0.12686E-07 -7.8967 0.12686E-07 -7.8967 0.10000E+01 0.0000 41 CaF+ 0.13998E-06 -6.8539 0.10804E-06 -6.9664 0.77180E+00 -0.1125 42 CaOH+ 0.23573E-06 -6.6276 0.18194E-06 -6.7401 0.77180E+00 -0.1125 43 CaSO4,aq 0.14698E-07 -7.8328 0.14698E-07 -7.8328 0.10000E+01 0.0000 44 HCl,aq 0.19146E-09 -9.7179 0.19146E-09 -9.7179 0.10000E+01 0.0000 61 HF,aq 0.80765E-07 -7.0928 0.80765E-07 -7.0928 0.10000E+01 0.0000 62 HF2- 0.10089E-10 -10.9962 0.77504E-11 -11.1107 0.76821E+00 -0.1145 76 H2,aq 0.32239E-06 -6.4916 0.31764E-06 -6.4981 0.98527E+00 -0.0064 90 KCl,aq 0.44414E-05 -5.3525 0.44414E-05 -5.3525 0.10000E+01 0.0000 92 KOH,aq 0.17487E-06 -6.7573 0.17487E-06 -6.7573 0.10000E+01 0.0000 93 KSO4- 0.21831E-06 -6.6609 0.16771E-06 -6.7754 0.76821E+00 -0.1145 94 MgCO3,aq 0.39642E-08 -8.4018 0.39642E-08 -8.4018 0.10000E+01 0.0000 95 Mg(HCO3)+ 0.13596E-07 -7.8666 0.10494E-07 -7.9791 0.77180E+00 -0.1125 96 MgCl+ 0.10581E-07 -7.9755 0.81665E-08 -8.0880 0.77180E+00 -0.1125 97 MgF+ 0.32958E-08 -8.4820 0.25437E-08 -8.5945 0.77180E+00 -0.1125 98 MgOH+ 0.75156E-08 -8.1240 0.58005E-08 -8.2365 0.77180E+00 -0.1125 102 MnOH+ 0.85509E-10 -10.0680 0.65996E-10 -10.1805 0.77180E+00 -0.1125 107 MnCl+ 0.11036E-09 -9.9572 0.85176E-10 -10.0697 0.77180E+00 -0.1125 109 NaCl,aq 0.49688E-03 -3.3038 0.49688E-03 -3.3038 0.10000E+01 0.0000 110 NaF,aq 0.28721E-05 -5.5418 0.28721E-05 -5.5418 0.10000E+01 0.0000 111 NaOH,aq 0.12416E-05 -5.9060 0.12416E-05 -5.9060 0.10000E+01 0.0000 113 OH- 0.58474E-04 -4.2330 0.44711E-04 -4.3496 0.76463E+00 -0.1166 124 Pb(HS)2,aq 0.70068E-10 -10.1545 0.70068E-10 -10.1545 0.10000E+01 0.0000 126 H2S,aq 0.20951E-04 -4.6788 0.20642E-04 -4.6852 0.98527E+00 -0.0064 127 S2-2 0.42198E-10 -10.3747 0.15738E-10 -10.8030 0.37296E+00 -0.4283 135 HSO4- 0.12743E-09 -9.8947 0.98560E-10 -10.0063 0.77347E+00 -0.1116 164 Cu(HS)2- 0.30906E-07 -7.5100 0.23742E-07 -7.6245 0.76821E+00 -0.1145 166 CuH4S3-b 0.21010E-08 -8.6776 0.16140E-08 -8.7921 0.76821E+00 -0.1145 179 MgSO4,aq 0.37462E-09 -9.4264 0.37462E-09 -9.4264 0.10000E+01 0.0000 182 MnCO3,aq 0.33022E-08 -8.4812 0.33022E-08 -8.4812 0.10000E+01 0.0000 183 NaCO3- 0.52344E-05 -5.2811 0.40211E-05 -5.3957 0.76821E+00 -0.1145 184 NaHCO3,aq 0.27172E-04 -4.5659 0.27172E-04 -4.5659 0.10000E+01 0.0000 185 NaHS,aq 0.29738E-05 -5.5267 0.29738E-05 -5.5267 0.10000E+01 0.0000 186 NaSO4- 0.83150E-06 -6.0801 0.63877E-06 -6.1947 0.76821E+00 -0.1145 187 PbCO3,aq 0.19297E-10 -10.7145 0.19297E-10 -10.7145 0.10000E+01 0.0000 193 Zn(HS)2,aq 0.73929E-09 -9.1312 0.73929E-09 -9.1312 0.10000E+01 0.0000 194 Zn(HS)3- 0.18574E-10 -10.7311 0.14269E-10 -10.8456 0.76821E+00 -0.1145 Charge balance for all species = 0.3557E-07 Component Molality Aq.molality ppm log[A(N)/A(H+)**Z] (total) 1 H+ 0.3302700E-07 -.9606963E-06 -.9652345E-03 -0.0000 2 H2O 0.1000000E+01 0.5550802E+02 0.9968029E+06 0.0000 3 Cl- 0.4499249E-01 0.4549579E-01 0.1607816E+04 6.1292 4 SO4-- 0.4943781E-05 0.5617116E-05 0.5378675E+00 9.4490 5 HCO3- 0.3030863E-02 0.3265658E-02 0.1986255E+03 4.9592 6 HS- 0.3327515E-03 0.3571375E-03 0.1177357E+02 3.9983 7 H4SiO4 0.1445648E-02 0.1558756E-02 0.1493424E+03 -2.8399 8 Al+++ 0.3429211E-21 0.1409947E-06 0.3792109E-02 0.3445 9 Ca++ 0.4565084E-04 0.5274343E-04 0.2107107E+01 10.4073 10 Mg++ 0.3091551E-06 0.3488440E-06 0.8454034E-02 8.2334 11 Fe++ 0.3704727E-15 0.1069789E-14 0.5955389E-10 -0.6869 12 K+ 0.5494826E-02 0.5499661E-02 0.2143616E+03 5.2178 13 Na+ 0.4331983E-01 0.4388572E-01 0.1005705E+04 6.1126 14 Mn++ 0.5471582E-09 0.4058498E-08 0.2222543E-03 5.4833 15 Zn++ 0.1696675E-13 0.7656458E-09 0.4989057E-04 0.9739 16 Cu+ 0.9615315E-15 0.3300684E-07 0.2090563E-02 -7.5412 17 Pb++ 0.6378131E-15 0.9008150E-10 0.1860443E-04 -0.4445 18 Hg++ 0.1040657E-38 0.3311657E-11 0.6621657E-06 -24.2333 19 F- 0.3581226E-03 0.3612188E-03 0.6840538E+01 4.0278 Component Tot moles Aq. moles Solid moles Gas moles 1 H+ 0.1822172E+00 -.6486919E-06 -.8682777E-05 0.1822265E+00 2 H2O 0.5550825E+02 0.3748073E+02 -.1360134E-01 0.1804112E+02 3 Cl- 0.3072017E-01 0.3072017E-01 0.0000000E+00 0.1170392E-10 4 SO4-- -.4257700E-02 0.3792851E-05 0.1002171E-08 -.4261494E-02 5 HCO3- 0.1832100E+00 0.2205073E-02 0.0000000E+00 0.1810049E+00 6 HS- 0.9985820E-02 0.2411503E-03 0.5688950E-07 0.9744613E-02 7 H4SiO4 0.7855346E-02 0.1052520E-02 0.6802825E-02 0.0000000E+00 8 Al+++ 0.2253680E-05 0.9520396E-07 0.2158476E-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 0.0000000E+00 0.0000000E+00 11 Fe++ 0.8017372E-08 0.7223548E-15 0.8017371E-08 0.0000000E+00 12 K+ 0.3715700E-02 0.3713542E-02 0.2158476E-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 0.0000000E+00 0.0000000E+00 15 Zn++ 0.1530000E-07 0.5169878E-09 0.1478301E-07 0.0000000E+00 16 Cu+ 0.6237410E-07 0.2228724E-07 0.4008686E-07 0.0000000E+00 17 Pb++ 0.1110000E-07 0.6082582E-10 0.1103917E-07 0.0000000E+00 18 Hg++ 0.4000000E-08 0.2236134E-11 0.0000000E+00 0.3997764E-08 19 F- 0.2439100E-03 0.2439061E-03 0.0000000E+00 0.3871663E-08 Chg. balance for solid moles: 0.2962E-16 Mass of aqueous solution: 0.677392E+03 g Temperature = 122.00 C Pressure = 2.09 bar Mixer frac. = 0.0000000 Log Log Vol Gas or mineral Moles Moles Grams Grams Wt.% (cm3) H2O,gas 18.21 1.260 328.0 2.516 97.60 0.2793E+06 CO2,gas 0.1775 -0.751 7.813 0.893 2.325 2821. CH4,gas 0.3472E-02 -2.459 0.5570E-01 -1.254 0.1657E-01 55.69 H2,gas 0.3157E-02 -2.501 0.6377E-02 -2.195 0.1898E-02 49.64 H2S,gas 0.5483E-02 -2.261 0.1869 -0.728 0.5560E-01 85.53 CO,gas 0.1780E-07 -7.750 0.4985E-06 -6.302 0.1483E-06 0.2796E-03 SO2,gas 0.2213E-15 -15.655 0.1417E-13 -13.849 0.4218E-14 0.3476E-11 HF,gas 0.3872E-08 -8.412 0.7743E-07 -7.111 0.2304E-07 0.6082E-04 HCl,gas 0.1170E-10 -10.932 0.4267E-09 -9.370 0.1270E-09 0.1839E-06 Hg,gas 0.3998E-08 -8.398 0.8019E-06 -6.096 0.2386E-06 0.6280E-04 microcline 0.2158E-05 -5.666 0.6008E-03 -3.221 0.1469 0.2347E-03 quartz 0.6796E-02 -2.168 0.4083 -0.389 99.85 0.1542 bornite 0.8017E-08 -8.096 0.4023E-05 -5.395 0.9838E-03 0.7915E-06 galena 0.1104E-07 -7.957 0.2641E-05 -5.578 0.6459E-03 0.3476E-06 sphalerite 0.1478E-07 -7.830 0.1440E-05 -5.842 0.3522E-03 0.3522E-06 Partial press. Fugacity coef Log fugacity Gas or Mineral Mole fraction or activity Activity coef Log activity H2O,gas 0.9897E+00 0.2070E+01 0.9766 0.306 CO2,gas 0.9648E-02 0.2018E-01 1.0106 -1.691 CH4,gas 0.1887E-03 0.3946E-03 1.0209 -3.395 H2,gas 0.1716E-03 0.3588E-03 1.0011 -3.445 H2S,gas 0.2980E-03 0.6232E-03 0.9931 -3.208 CO,gas 0.9671E-09 0.2023E-08 1.0000 -8.694 SO2,gas 0.1202E-16 0.2515E-16 1.0000 -16.600 HF,gas 0.2104E-09 0.4400E-09 1.0000 -9.357 HCl,gas 0.6360E-12 0.1330E-11 1.0000 -11.876 Hg,gas 0.2173E-09 0.4544E-09 1.0000 -9.343 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: 33.146592 % Solid products produced: Mass = 0.408934 g Volume = 0.154437 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 0.01 0.01 0.00 0.000 -0.99933E-10 2 CO2,gas -8.21 -8.21 -0.00 -0.000 0.48179E-10 3 CH4,gas 3.22 3.22 -0.00 -0.000 0.88327E-10 4 H2,gas 6.20 6.20 -0.00 -0.000 0.32119E-11 5 H2S,gas -7.65 -7.65 0.00 0.000 -0.30513E-10 6 CO,gas 1.23 1.23 0.00 0.000 -0.36134E-11 7 SO2,gas -1.56 -1.56 -0.00 -0.000 0.20074E-11 8 HF,gas -1.48 -1.48 -0.00 -0.000 0.12045E-11 9 HCl,gas 3.14 3.14 -0.00 -0.000 0.16060E-11 10 Hg,gas -12.14 -12.14 -0.00 -0.000 0.32119E-11 112 microcline -2.96 -2.96 0.00 0.000 -0.16060E-11 143 quartz -2.84 -2.84 0.00 0.000 0.00000E+00 196 bornite -84.34 -84.34 0.00 0.000 0.00000E+00 247 galena -11.63 -11.63 0.00 0.000 0.00000E+00 258 sphalerite -10.21 -10.21 0.00 0.000 -0.32119E-11 199 chalcocite -26.31 -26.27 0.05 0.011 -0.82893E+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 15 albite-high -0.09 -2.06 -1.98 -0.152 0.35755E+04 16 albite -1.05 -2.06 -1.01 -0.078 0.18255E+04 20 analcite 2.49 0.78 -1.72 -0.191 0.31051E+04 24 anhydrite -5.73 -10.51 -4.77 -2.386 0.86299E+04 27 phlogopite 24.29 21.74 -2.54 -0.141 0.45989E+04 29 anorthite 10.24 5.42 -4.83 -0.371 0.87248E+04 32 aragonite 0.65 0.19 -0.46 -0.155 0.83878E+03 33 brucite 11.72 8.23 -3.49 -0.698 0.63121E+04 34 calcite 0.49 0.19 -0.31 -0.102 0.55500E+03 35 carnegieite-low 7.88 3.62 -4.26 -0.609 0.77062E+04 37 carpholite-Mg 6.54 3.24 -3.30 -0.220 0.59683E+04 39 celadonite 4.37 2.44 -1.93 -0.114 0.34902E+04 41 chrysotile 22.02 19.02 -3.00 -0.250 0.54187E+04 44 chloritoid-Mg 10.79 6.08 -4.71 -0.314 0.85152E+04 48 coesite -2.25 -2.84 -0.59 -0.195 0.10590E+04 55 cristobalite -2.46 -2.84 -0.38 -0.127 0.69144E+03 58 cymrite-K 1.02 -2.96 -3.98 -0.331 0.71898E+04 60 diaspore 2.03 0.34 -1.69 -0.282 0.30553E+04 61 diamond -2.82 -5.36 -2.54 -0.726 0.45941E+04 62 diopside 14.91 12.96 -1.95 -0.195 0.35287E+04 64 dolomite,ordered -0.16 -1.80 -1.64 -0.274 0.29678E+04 66 enstatite 15.75 10.79 -4.96 -0.496 0.89661E+04 68 clinoenstatite 15.65 10.79 -4.87 -0.487 0.87998E+04 78 gibbsite 3.25 0.34 -2.91 -0.416 0.52608E+04 79 glaucophane 19.87 14.89 -4.98 -0.135 0.90024E+04 82 graphite -3.25 -5.36 -2.11 -0.603 0.38140E+04 85 halite 1.52 -2.94 -4.46 -2.231 0.80677E+04 87 heulandite -7.08 -8.78 -1.70 -0.077 0.30724E+04 91 jadeite 3.41 0.78 -2.63 -0.263 0.47617E+04 93 kalsilite 6.57 2.72 -3.85 -0.550 0.69608E+04 94 kaolinite -2.57 -4.99 -2.42 -0.220 0.43832E+04 97 laumontite 1.31 -0.26 -1.58 -0.105 0.28484E+04 98 lawsonite 7.73 5.42 -2.31 -0.154 0.41753E+04 99 leucite 3.22 -0.12 -3.34 -0.334 0.60402E+04 101 lizardite 21.44 19.02 -2.42 -0.202 0.43737E+04 102 magnesite 0.24 -1.99 -2.23 -0.743 0.40321E+04 116 muscovite 0.44 -2.27 -2.70 -0.159 0.48896E+04 117 paragonite 1.94 -1.37 -3.32 -0.195 0.59987E+04 118 nepheline 7.22 3.62 -3.61 -0.515 0.65220E+04 130 phlogopite-Na 26.64 22.64 -4.01 -0.223 0.72450E+04 132 prehnite 16.64 12.98 -3.65 -0.215 0.66078E+04 138 pyrite -20.68 -25.49 -4.81 -1.131 0.86913E+04 141 pyroxmangite 6.81 2.64 -4.17 -0.834 0.75363E+04 142 pyrophyllite -7.28 -10.67 -3.39 -0.212 0.61286E+04 148 rhodochrosite -1.23 -4.74 -3.51 -1.171 0.63505E+04 149 rhodonite 6.85 2.64 -4.21 -0.842 0.76097E+04 150 sanidine -1.81 -2.96 -1.14 -0.088 0.20678E+04 160 stilbite -8.24 -8.78 -0.54 -0.026 0.97875E+03 162 stilpnomelane-Mg 23.55 21.75 -1.81 -0.054 0.32683E+04 166 sulfur -8.95 -13.62 -4.66 -1.434 0.84269E+04 168 talc 14.89 13.34 -1.55 -0.091 0.28079E+04 176 tridymite -2.51 -2.84 -0.33 -0.109 0.59295E+03 177 tremolite 43.76 39.26 -4.50 -0.122 0.81371E+04 185 wairakite 2.10 -0.26 -2.37 -0.139 0.42768E+04 186 walstromite 10.76 7.57 -3.19 -0.638 0.57675E+04 187 wollastonite 9.77 7.57 -2.20 -0.440 0.39815E+04 188 pseudo-wollastonite 10.26 7.57 -2.70 -0.539 0.48739E+04 191 beidellite-Ca -3.28 -7.90 -4.62 -0.286 0.83503E+04 193 beidellite-K -3.06 -7.90 -4.83 -0.296 0.87401E+04 194 beidellite-Mg -3.45 -8.26 -4.82 -0.298 0.87072E+04 195 beidellite-Na -2.92 -7.60 -4.69 -0.287 0.84732E+04 198 chalcedony -2.66 -2.84 -0.18 -0.059 0.31884E+03 200 covellite -18.92 -19.94 -1.02 -0.387 0.18360E+04 201 dawsonite 1.07 -3.76 -4.83 -0.604 0.87376E+04 202 montmorillonite-Ca -3.48 -6.35 -2.87 -0.178 0.51897E+04 203 montmorillonite-K -3.34 -6.35 -3.01 -0.184 0.54415E+04 204 montmorillonite-Mg -3.68 -6.71 -3.02 -0.187 0.54679E+04 205 montmorillonite-Na -3.16 -6.05 -2.89 -0.177 0.52231E+04 227 tobermorite 9.48 5.83 -3.65 -0.995 0.65945E+04 233 alabandite -1.29 -5.70 -4.41 -1.470 0.79736E+04 238 boehmite 3.43 0.34 -3.09 -0.515 0.55846E+04 240 chalcopyrite -27.57 -31.81 -4.24 -0.789 0.76708E+04 243 copper,native -2.65 -6.32 -3.67 -1.278 0.66446E+04 244 dolomite,disordered 0.47 -1.80 -2.27 -0.378 0.41055E+04 246 fluorite -10.07 -11.90 -1.83 -0.610 0.33078E+04 255 silica-amorphous -2.02 -2.84 -0.82 -0.273 0.14808E+04 259 wurtzite -8.48 -10.21 -1.73 -0.577 0.31318E+04 261 an20ab80 0.99 -0.57 -1.55 -0.120 0.28116E+04 262 an25ab75 1.53 -0.19 -1.72 -0.132 0.31089E+04 263 an30ab70 2.07 0.18 -1.89 -0.145 0.34151E+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 = 122.00 C Pressure = 2.09 bar Mixer fraction = 0.0000000 Total current enthalpy = 296.5306 KCAL Water: Moles liquid = 0.3748E+02 kg liquid = 0.6752E+00 Moles total = 0.5551E+02 kg total = 0.1000E+01 Activity = 1.0000 Stoichiometric ionic strength = .4955088E-01 Osmotic coef. = 0.9321 True ionic strength = .4898066E-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+ 0.33027E-07 -7.4811 0.25669E-07 -7.5906 0.77722E+00 -0.1095 2 H2O 0.10000E+01 -0.0000 0.10000E+01 -0.0000 3 Cl- 0.44992E-01 -1.3469 0.34564E-01 -1.4614 0.76821E+00 -0.1145 4 SO4-- 0.49438E-05 -5.3059 0.18527E-05 -5.7322 0.37475E+00 -0.4263 5 HCO3- 0.30309E-02 -2.5184 0.23365E-02 -2.6314 0.77091E+00 -0.1130 6 HS- 0.33275E-03 -3.4779 0.25571E-03 -3.5922 0.76848E+00 -0.1144 7 H4SiO4 0.14456E-02 -2.8399 0.14456E-02 -2.8399 0.10000E+01 0.0000 8 Al+++ 0.34292E-21 -21.4648 0.37390E-22 -22.4273 0.10903E+00 -0.9624 9 Ca++ 0.45651E-04 -4.3406 0.16830E-04 -4.7739 0.36867E+00 -0.4334 10 Mg++ 0.30916E-06 -6.5098 0.11277E-06 -6.9478 0.36476E+00 -0.4380 11 Fe++ 0.48235E-15 -15.3166 0.17640E-15 -15.7535 0.36570E+00 -0.4369 12 K+ 0.54948E-02 -2.2600 0.42388E-02 -2.3728 0.77141E+00 -0.1127 13 Na+ 0.43320E-01 -1.3633 0.33269E-01 -1.4780 0.76798E+00 -0.1146 14 Mn++ 0.54716E-09 -9.2619 0.20048E-09 -9.6979 0.36641E+00 -0.4360 15 Zn++ 0.16967E-13 -13.7704 0.62048E-14 -14.2073 0.36570E+00 -0.4369 16 Cu+ 0.91210E-15 -15.0400 0.70039E-15 -15.1547 0.76789E+00 -0.1147 17 Pb++ 0.63781E-15 -15.1953 0.23675E-15 -15.6257 0.37119E+00 -0.4304 18 Hg++ 0.10407E-38 -38.9827 0.38503E-39 -39.4145 0.36999E+00 -0.4318 19 F- 0.35812E-03 -3.4460 0.27363E-03 -3.5628 0.76407E+00 -0.1169 21 HSiO3- 0.84373E-04 -4.0738 0.64816E-04 -4.1883 0.76821E+00 -0.1145 22 Ca(HSiO3)+ 0.47487E-07 -7.3234 0.36650E-07 -7.4359 0.77180E+00 -0.1125 23 Mg(HSiO3)+ 0.36134E-09 -9.4421 0.27888E-09 -9.5546 0.77180E+00 -0.1125 24 NaHSiO3,aq 0.28687E-04 -4.5423 0.28687E-04 -4.5423 0.10000E+01 0.0000 27 HAlO2,aq 0.71141E-09 -9.1479 0.71141E-09 -9.1479 0.10000E+01 0.0000 28 AlO2- 0.14028E-06 -6.8530 0.10726E-06 -6.9695 0.76463E+00 -0.1166 29 CH4,aq 0.31110E-06 -6.5071 0.30651E-06 -6.5135 0.98527E+00 -0.0064 35 CO2,aq 0.17859E-03 -3.7482 0.17595E-03 -3.7546 0.98527E+00 -0.0064 36 CO3-2 0.18770E-04 -4.7265 0.70006E-05 -5.1549 0.37296E+00 -0.4283 37 CaCO3,aq 0.27149E-05 -5.5663 0.27149E-05 -5.5663 0.10000E+01 0.0000 38 Ca(HCO3)+ 0.19858E-05 -5.7021 0.15326E-05 -5.8146 0.77180E+00 -0.1125 39 CaCl+ 0.19414E-05 -5.7119 0.14983E-05 -5.8244 0.77180E+00 -0.1125 40 CaCl2,aq 0.12686E-07 -7.8967 0.12686E-07 -7.8967 0.10000E+01 0.0000 41 CaF+ 0.13998E-06 -6.8539 0.10804E-06 -6.9664 0.77180E+00 -0.1125 42 CaOH+ 0.23573E-06 -6.6276 0.18194E-06 -6.7401 0.77180E+00 -0.1125 43 CaSO4,aq 0.14698E-07 -7.8328 0.14698E-07 -7.8328 0.10000E+01 0.0000 44 HCl,aq 0.19146E-09 -9.7179 0.19146E-09 -9.7179 0.10000E+01 0.0000 61 HF,aq 0.80765E-07 -7.0928 0.80765E-07 -7.0928 0.10000E+01 0.0000 62 HF2- 0.10089E-10 -10.9962 0.77504E-11 -11.1107 0.76821E+00 -0.1145 76 H2,aq 0.32239E-06 -6.4916 0.31764E-06 -6.4981 0.98527E+00 -0.0064 90 KCl,aq 0.44414E-05 -5.3525 0.44414E-05 -5.3525 0.10000E+01 0.0000 92 KOH,aq 0.17487E-06 -6.7573 0.17487E-06 -6.7573 0.10000E+01 0.0000 93 KSO4- 0.21831E-06 -6.6609 0.16771E-06 -6.7754 0.76821E+00 -0.1145 94 MgCO3,aq 0.39642E-08 -8.4018 0.39642E-08 -8.4018 0.10000E+01 0.0000 95 Mg(HCO3)+ 0.13596E-07 -7.8666 0.10494E-07 -7.9791 0.77180E+00 -0.1125 96 MgCl+ 0.10581E-07 -7.9755 0.81665E-08 -8.0880 0.77180E+00 -0.1125 97 MgF+ 0.32958E-08 -8.4820 0.25437E-08 -8.5945 0.77180E+00 -0.1125 98 MgOH+ 0.75156E-08 -8.1240 0.58005E-08 -8.2365 0.77180E+00 -0.1125 102 MnOH+ 0.85509E-10 -10.0680 0.65996E-10 -10.1805 0.77180E+00 -0.1125 107 MnCl+ 0.11036E-09 -9.9572 0.85176E-10 -10.0697 0.77180E+00 -0.1125 109 NaCl,aq 0.49688E-03 -3.3038 0.49688E-03 -3.3038 0.10000E+01 0.0000 110 NaF,aq 0.28721E-05 -5.5418 0.28721E-05 -5.5418 0.10000E+01 0.0000 111 NaOH,aq 0.12416E-05 -5.9060 0.12416E-05 -5.9060 0.10000E+01 0.0000 113 OH- 0.58474E-04 -4.2330 0.44711E-04 -4.3496 0.76463E+00 -0.1166 124 Pb(HS)2,aq 0.70068E-10 -10.1545 0.70068E-10 -10.1545 0.10000E+01 0.0000 126 H2S,aq 0.20951E-04 -4.6788 0.20642E-04 -4.6852 0.98527E+00 -0.0064 127 S2-2 0.42198E-10 -10.3747 0.15738E-10 -10.8030 0.37296E+00 -0.4283 135 HSO4- 0.12743E-09 -9.8947 0.98560E-10 -10.0063 0.77347E+00 -0.1116 164 Cu(HS)2- 0.29317E-07 -7.5329 0.22521E-07 -7.6474 0.76821E+00 -0.1145 166 CuH4S3-b 0.19930E-08 -8.7005 0.15310E-08 -8.8150 0.76821E+00 -0.1145 179 MgSO4,aq 0.37462E-09 -9.4264 0.37462E-09 -9.4264 0.10000E+01 0.0000 182 MnCO3,aq 0.33022E-08 -8.4812 0.33022E-08 -8.4812 0.10000E+01 0.0000 183 NaCO3- 0.52344E-05 -5.2811 0.40211E-05 -5.3957 0.76821E+00 -0.1145 184 NaHCO3,aq 0.27172E-04 -4.5659 0.27172E-04 -4.5659 0.10000E+01 0.0000 185 NaHS,aq 0.29738E-05 -5.5267 0.29738E-05 -5.5267 0.10000E+01 0.0000 186 NaSO4- 0.83151E-06 -6.0801 0.63877E-06 -6.1947 0.76821E+00 -0.1145 187 PbCO3,aq 0.19297E-10 -10.7145 0.19297E-10 -10.7145 0.10000E+01 0.0000 193 Zn(HS)2,aq 0.73929E-09 -9.1312 0.73929E-09 -9.1312 0.10000E+01 0.0000 194 Zn(HS)3- 0.18574E-10 -10.7311 0.14269E-10 -10.8456 0.76821E+00 -0.1145 Charge balance for all species = 0.3557E-07 Component Molality Aq.molality ppm log[A(N)/A(H+)**Z] (total) 1 H+ 0.3302699E-07 -.9608972E-06 -.9654364E-03 0.0000 2 H2O 0.1000000E+01 0.5550802E+02 0.9968029E+06 0.0000 3 Cl- 0.4499249E-01 0.4549579E-01 0.1607816E+04 6.1292 4 SO4-- 0.4943787E-05 0.5617123E-05 0.5378681E+00 9.4490 5 HCO3- 0.3030864E-02 0.3265659E-02 0.1986256E+03 4.9592 6 HS- 0.3327518E-03 0.3571343E-03 0.1177346E+02 3.9983 7 H4SiO4 0.1445648E-02 0.1558756E-02 0.1493424E+03 -2.8399 8 Al+++ 0.3429205E-21 0.1409947E-06 0.3792109E-02 0.3445 9 Ca++ 0.4565084E-04 0.5274343E-04 0.2107107E+01 10.4073 10 Mg++ 0.3091551E-06 0.3488440E-06 0.8454034E-02 8.2334 11 Fe++ 0.4823540E-15 0.1392862E-14 0.7753894E-10 -0.5723 12 K+ 0.5494826E-02 0.5499661E-02 0.2143616E+03 5.2178 13 Na+ 0.4331983E-01 0.4388572E-01 0.1005705E+04 6.1126 14 Mn++ 0.5471579E-09 0.4058498E-08 0.2222543E-03 5.4833 15 Zn++ 0.1696673E-13 0.7656461E-09 0.4989058E-04 0.9739 16 Cu+ 0.9120975E-15 0.3130995E-07 0.1983086E-02 -7.5641 17 Pb++ 0.6378124E-15 0.9008151E-10 0.1860444E-04 -0.4445 18 Hg++ 0.1040656E-38 0.3311658E-11 0.6621658E-06 -24.2333 19 F- 0.3581226E-03 0.3612188E-03 0.6840538E+01 4.0278 Component Tot moles Aq. moles Solid moles Gas moles 1 H+ 0.1822172E+00 -.6488276E-06 -.8683350E-05 0.1822265E+00 2 H2O 0.5550825E+02 0.3748073E+02 -.1360134E-01 0.1804112E+02 3 Cl- 0.3072017E-01 0.3072017E-01 0.0000000E+00 0.1170391E-10 4 SO4-- -.4257700E-02 0.3792855E-05 0.1002171E-08 -.4261494E-02 5 HCO3- 0.1832100E+00 0.2205074E-02 0.0000000E+00 0.1810049E+00 6 HS- 0.9985820E-02 0.2411481E-03 0.5746240E-07 0.9744614E-02 7 H4SiO4 0.7855346E-02 0.1052520E-02 0.6802825E-02 0.0000000E+00 8 Al+++ 0.2253680E-05 0.9520396E-07 0.2158476E-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 0.0000000E+00 0.0000000E+00 11 Fe++ 0.8017372E-08 0.9405033E-15 0.8017371E-08 0.0000000E+00 12 K+ 0.3715700E-02 0.3713542E-02 0.2158476E-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 0.0000000E+00 0.0000000E+00 15 Zn++ 0.1530000E-07 0.5169879E-09 0.1478301E-07 0.0000000E+00 16 Cu+ 0.6237410E-07 0.2114145E-07 0.4123265E-07 0.0000000E+00 17 Pb++ 0.1110000E-07 0.6082583E-10 0.1103917E-07 0.0000000E+00 18 Hg++ 0.4000000E-08 0.2236134E-11 0.0000000E+00 0.3997764E-08 19 F- 0.2439100E-03 0.2439061E-03 0.0000000E+00 0.3871661E-08 Chg. balance for solid moles: -.1214E-16 Mass of aqueous solution: 0.677392E+03 g Temperature = 122.00 C Pressure = 2.09 bar Mixer frac. = 0.0000000 Log Log Vol Gas or mineral Moles Moles Grams Grams Wt.% (cm3) H2O,gas 18.21 1.260 328.0 2.516 97.60 0.2793E+06 CO2,gas 0.1775 -0.751 7.813 0.893 2.325 2821. CH4,gas 0.3472E-02 -2.459 0.5570E-01 -1.254 0.1657E-01 55.69 H2,gas 0.3157E-02 -2.501 0.6377E-02 -2.195 0.1898E-02 49.64 H2S,gas 0.5483E-02 -2.261 0.1869 -0.728 0.5560E-01 85.53 CO,gas 0.1780E-07 -7.750 0.4985E-06 -6.302 0.1483E-06 0.2796E-03 SO2,gas 0.2213E-15 -15.655 0.1417E-13 -13.849 0.4218E-14 0.3476E-11 HF,gas 0.3872E-08 -8.412 0.7743E-07 -7.111 0.2304E-07 0.6082E-04 HCl,gas 0.1170E-10 -10.932 0.4267E-09 -9.370 0.1270E-09 0.1839E-06 Hg,gas 0.3998E-08 -8.398 0.8019E-06 -6.096 0.2386E-06 0.6280E-04 microcline 0.2158E-05 -5.666 0.6008E-03 -3.221 0.1469 0.2347E-03 quartz 0.6796E-02 -2.168 0.4083 -0.389 99.85 0.1542 bornite 0.8017E-08 -8.096 0.4023E-05 -5.395 0.9838E-03 0.7915E-06 galena 0.1104E-07 -7.957 0.2641E-05 -5.578 0.6459E-03 0.3476E-06 sphalerite 0.1478E-07 -7.830 0.1440E-05 -5.842 0.3522E-03 0.3522E-06 chalcocite 0.5729E-09 -9.242 0.9117E-07 -7.040 0.2229E-04 0.1575E-07 Partial press. Fugacity coef Log fugacity Gas or Mineral Mole fraction or activity Activity coef Log activity H2O,gas 0.9897E+00 0.2070E+01 0.9766 0.306 CO2,gas 0.9648E-02 0.2018E-01 1.0106 -1.691 CH4,gas 0.1887E-03 0.3946E-03 1.0209 -3.395 H2,gas 0.1716E-03 0.3588E-03 1.0011 -3.445 H2S,gas 0.2980E-03 0.6232E-03 0.9931 -3.208 CO,gas 0.9671E-09 0.2023E-08 1.0000 -8.694 SO2,gas 0.1202E-16 0.2515E-16 1.0000 -16.600 HF,gas 0.2104E-09 0.4400E-09 1.0000 -9.357 HCl,gas 0.6360E-12 0.1330E-11 1.0000 -11.876 Hg,gas 0.2173E-09 0.4544E-09 1.0000 -9.343 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 chalcocite 0.1000E+01 0.1000E+01 1.0000 0.000 Current weight percent of gas: 33.146592 % Solid products produced: Mass = 0.408934 g Volume = 0.154437 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 0.01 0.01 -0.00 -0.000 0.62733E-14 2 CO2,gas -8.21 -8.21 0.00 0.000 0.00000E+00 3 CH4,gas 3.22 3.22 0.00 0.000 0.00000E+00 4 H2,gas 6.20 6.20 0.00 0.000 -0.16060E-11 5 H2S,gas -7.65 -7.65 0.00 0.000 -0.32119E-11 6 CO,gas 1.23 1.23 0.00 0.000 -0.32119E-11 7 SO2,gas -1.56 -1.56 -0.00 -0.000 0.80298E-12 8 HF,gas -1.48 -1.48 0.00 0.000 0.00000E+00 9 HCl,gas 3.14 3.14 0.00 0.000 -0.24089E-11 10 Hg,gas -12.14 -12.14 -0.00 -0.000 0.64238E-11 112 microcline -2.96 -2.96 0.00 0.000 -0.80298E-11 143 quartz -2.84 -2.84 0.00 0.000 0.00000E+00 196 bornite -84.34 -84.34 0.00 0.000 0.00000E+00 199 chalcocite -26.31 -26.31 0.00 0.000 0.00000E+00 247 galena -11.63 -11.63 0.00 0.000 -0.32119E-11 258 sphalerite -10.21 -10.21 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 15 albite-high -0.09 -2.06 -1.98 -0.152 0.35755E+04 16 albite -1.05 -2.06 -1.01 -0.078 0.18255E+04 20 analcite 2.49 0.78 -1.72 -0.191 0.31051E+04 24 anhydrite -5.73 -10.51 -4.77 -2.386 0.86299E+04 27 phlogopite 24.29 21.74 -2.54 -0.141 0.45989E+04 29 anorthite 10.24 5.42 -4.83 -0.371 0.87248E+04 32 aragonite 0.65 0.19 -0.46 -0.155 0.83878E+03 33 brucite 11.72 8.23 -3.49 -0.698 0.63121E+04 34 calcite 0.49 0.19 -0.31 -0.102 0.55500E+03 35 carnegieite-low 7.88 3.62 -4.26 -0.609 0.77062E+04 37 carpholite-Mg 6.54 3.24 -3.30 -0.220 0.59683E+04 39 celadonite 4.37 2.44 -1.93 -0.114 0.34902E+04 41 chrysotile 22.02 19.02 -3.00 -0.250 0.54187E+04 44 chloritoid-Mg 10.79 6.08 -4.71 -0.314 0.85152E+04 48 coesite -2.25 -2.84 -0.59 -0.195 0.10590E+04 55 cristobalite -2.46 -2.84 -0.38 -0.127 0.69144E+03 58 cymrite-K 1.02 -2.96 -3.98 -0.331 0.71898E+04 60 diaspore 2.03 0.34 -1.69 -0.282 0.30553E+04 61 diamond -2.82 -5.36 -2.54 -0.726 0.45941E+04 62 diopside 14.91 12.96 -1.95 -0.195 0.35287E+04 64 dolomite,ordered -0.16 -1.80 -1.64 -0.274 0.29678E+04 66 enstatite 15.75 10.79 -4.96 -0.496 0.89661E+04 68 clinoenstatite 15.65 10.79 -4.87 -0.487 0.87998E+04 78 gibbsite 3.25 0.34 -2.91 -0.416 0.52608E+04 79 glaucophane 19.87 14.89 -4.98 -0.135 0.90024E+04 82 graphite -3.25 -5.36 -2.11 -0.603 0.38140E+04 85 halite 1.52 -2.94 -4.46 -2.231 0.80677E+04 87 heulandite -7.08 -8.78 -1.70 -0.077 0.30724E+04 91 jadeite 3.41 0.78 -2.63 -0.263 0.47617E+04 93 kalsilite 6.57 2.72 -3.85 -0.550 0.69608E+04 94 kaolinite -2.57 -4.99 -2.42 -0.220 0.43832E+04 97 laumontite 1.31 -0.26 -1.58 -0.105 0.28484E+04 98 lawsonite 7.73 5.42 -2.31 -0.154 0.41753E+04 99 leucite 3.22 -0.12 -3.34 -0.334 0.60402E+04 101 lizardite 21.44 19.02 -2.42 -0.202 0.43737E+04 102 magnesite 0.24 -1.99 -2.23 -0.743 0.40321E+04 116 muscovite 0.44 -2.27 -2.70 -0.159 0.48896E+04 117 paragonite 1.94 -1.37 -3.32 -0.195 0.59987E+04 118 nepheline 7.22 3.62 -3.61 -0.515 0.65220E+04 130 phlogopite-Na 26.64 22.64 -4.01 -0.223 0.72450E+04 132 prehnite 16.64 12.98 -3.65 -0.215 0.66078E+04 138 pyrite -20.68 -25.37 -4.69 -1.104 0.84841E+04 141 pyroxmangite 6.81 2.64 -4.17 -0.834 0.75363E+04 142 pyrophyllite -7.28 -10.67 -3.39 -0.212 0.61286E+04 148 rhodochrosite -1.23 -4.74 -3.51 -1.171 0.63505E+04 149 rhodonite 6.85 2.64 -4.21 -0.842 0.76097E+04 150 sanidine -1.81 -2.96 -1.14 -0.088 0.20678E+04 160 stilbite -8.24 -8.78 -0.54 -0.026 0.97875E+03 162 stilpnomelane-Mg 23.55 21.75 -1.81 -0.054 0.32683E+04 166 sulfur -8.95 -13.62 -4.66 -1.434 0.84269E+04 168 talc 14.89 13.34 -1.55 -0.091 0.28079E+04 176 tridymite -2.51 -2.84 -0.33 -0.109 0.59295E+03 177 tremolite 43.76 39.26 -4.50 -0.122 0.81371E+04 185 wairakite 2.10 -0.26 -2.37 -0.139 0.42768E+04 186 walstromite 10.76 7.57 -3.19 -0.638 0.57675E+04 187 wollastonite 9.77 7.57 -2.20 -0.440 0.39815E+04 188 pseudo-wollastonite 10.26 7.57 -2.70 -0.539 0.48739E+04 191 beidellite-Ca -3.28 -7.90 -4.62 -0.286 0.83503E+04 193 beidellite-K -3.06 -7.90 -4.83 -0.296 0.87401E+04 194 beidellite-Mg -3.45 -8.26 -4.82 -0.298 0.87072E+04 195 beidellite-Na -2.92 -7.60 -4.69 -0.287 0.84732E+04 198 chalcedony -2.66 -2.84 -0.18 -0.059 0.31884E+03 200 covellite -18.92 -19.96 -1.04 -0.396 0.18775E+04 201 dawsonite 1.07 -3.76 -4.83 -0.604 0.87376E+04 202 montmorillonite-Ca -3.48 -6.35 -2.87 -0.178 0.51897E+04 203 montmorillonite-K -3.34 -6.35 -3.01 -0.184 0.54415E+04 204 montmorillonite-Mg -3.68 -6.71 -3.02 -0.187 0.54679E+04 205 montmorillonite-Na -3.16 -6.05 -2.89 -0.177 0.52231E+04 227 tobermorite 9.48 5.83 -3.65 -0.995 0.65945E+04 233 alabandite -1.29 -5.70 -4.41 -1.470 0.79736E+04 238 boehmite 3.43 0.34 -3.09 -0.515 0.55846E+04 240 chalcopyrite -27.57 -31.72 -4.15 -0.772 0.75051E+04 243 copper,native -2.65 -6.35 -3.70 -1.286 0.66861E+04 244 dolomite,disordered 0.47 -1.80 -2.27 -0.378 0.41055E+04 246 fluorite -10.07 -11.90 -1.83 -0.610 0.33078E+04 255 silica-amorphous -2.02 -2.84 -0.82 -0.273 0.14808E+04 259 wurtzite -8.48 -10.21 -1.73 -0.577 0.31318E+04 261 an20ab80 0.99 -0.57 -1.55 -0.120 0.28116E+04 262 an25ab75 1.53 -0.19 -1.72 -0.132 0.31089E+04 263 an30ab70 2.07 0.18 -1.89 -0.145 0.34151E+04 Calculations done for 122.0000 Deg. C; 2.0914 bar Enthalpies: Pure water 2.2102 kcal/mole H2O,gas 11.7220 kcal/mole CO2,gas 1.1661 kcal/mole CH4,gas 1.1243 kcal/mole Current solution 82.8392 Gas 213.6914 kcal Total current enthalpy 296.5306 kcal Starting enthalpy 296.5306 kcal Temperature changed by -2.000 degrees to 120.000 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 = 8 Loop limit = 200 Temperature = 120.00 C Pressure = 1.96 bar Mixer fraction = 0.0000000 Total current enthalpy = 296.5306 KCAL Water: Moles liquid = 0.3731E+02 kg liquid = 0.6722E+00 Moles total = 0.5551E+02 kg total = 0.1000E+01 Activity = 1.0000 Stoichiometric ionic strength = .4976801E-01 Osmotic coef. = 0.9324 True ionic strength = .4921079E-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+ 0.31638E-07 -7.4998 0.24614E-07 -7.6088 0.77798E+00 -0.1090 2 H2O 0.10000E+01 -0.0000 0.10000E+01 -0.0000 3 Cl- 0.45203E-01 -1.3448 0.34759E-01 -1.4589 0.76894E+00 -0.1141 4 SO4-- 0.52680E-05 -5.2784 0.19814E-05 -5.7030 0.37613E+00 -0.4247 5 HCO3- 0.30505E-02 -2.5156 0.23538E-02 -2.6282 0.77161E+00 -0.1126 6 HS- 0.32773E-03 -3.4845 0.25210E-03 -3.5984 0.76922E+00 -0.1140 7 H4SiO4 0.14014E-02 -2.8534 0.14014E-02 -2.8534 0.10000E+01 0.0000 8 Al+++ 0.34107E-21 -21.4672 0.37505E-22 -22.4259 0.10996E+00 -0.9588 9 Ca++ 0.45962E-04 -4.3376 0.17009E-04 -4.7693 0.37006E+00 -0.4317 10 Mg++ 0.31151E-06 -6.5065 0.11407E-06 -6.9428 0.36619E+00 -0.4363 11 Fe++ 0.43542E-15 -15.3611 0.15985E-15 -15.7963 0.36712E+00 -0.4352 12 K+ 0.55197E-02 -2.2581 0.42617E-02 -2.3704 0.77210E+00 -0.1123 13 Na+ 0.43523E-01 -1.3613 0.33456E-01 -1.4755 0.76871E+00 -0.1142 14 Mn++ 0.52829E-09 -9.2771 0.19431E-09 -9.7115 0.36782E+00 -0.4344 15 Zn++ 0.15947E-13 -13.7973 0.58545E-14 -14.2325 0.36712E+00 -0.4352 16 Cu+ 0.77097E-15 -15.1130 0.59258E-15 -15.2273 0.76861E+00 -0.1143 17 Pb++ 0.55940E-15 -15.2523 0.20841E-15 -15.6811 0.37257E+00 -0.4288 18 Hg++ 0.82577E-39 -39.0831 0.30667E-39 -39.5133 0.37137E+00 -0.4302 19 F- 0.35980E-03 -3.4439 0.27521E-03 -3.5603 0.76489E+00 -0.1164 21 HSiO3- 0.83692E-04 -4.0773 0.64355E-04 -4.1914 0.76894E+00 -0.1141 22 Ca(HSiO3)+ 0.45929E-07 -7.3379 0.35479E-07 -7.4500 0.77248E+00 -0.1121 23 Mg(HSiO3)+ 0.35265E-09 -9.4527 0.27241E-09 -9.5648 0.77248E+00 -0.1121 24 NaHSiO3,aq 0.29108E-04 -4.5360 0.29108E-04 -4.5360 0.10000E+01 0.0000 27 HAlO2,aq 0.65904E-09 -9.1811 0.65904E-09 -9.1811 0.10000E+01 0.0000 28 AlO2- 0.12880E-06 -6.8901 0.98586E-07 -7.0062 0.76543E+00 -0.1161 29 CH4,aq 0.28894E-06 -6.5392 0.28468E-06 -6.5456 0.98524E+00 -0.0065 35 CO2,aq 0.16782E-03 -3.7752 0.16534E-03 -3.7816 0.98524E+00 -0.0065 36 CO3-2 0.19841E-04 -4.7024 0.74272E-05 -5.1292 0.37434E+00 -0.4267 37 CaCO3,aq 0.27574E-05 -5.5595 0.27574E-05 -5.5595 0.10000E+01 0.0000 38 Ca(HCO3)+ 0.19414E-05 -5.7119 0.14997E-05 -5.8240 0.77248E+00 -0.1121 39 CaCl+ 0.18889E-05 -5.7238 0.14591E-05 -5.8359 0.77248E+00 -0.1121 40 CaCl2,aq 0.12378E-07 -7.9074 0.12378E-07 -7.9074 0.10000E+01 0.0000 41 CaF+ 0.13610E-06 -6.8662 0.10513E-06 -6.9783 0.77248E+00 -0.1121 42 CaOH+ 0.22125E-06 -6.6551 0.17091E-06 -6.7672 0.77248E+00 -0.1121 43 CaSO4,aq 0.15327E-07 -7.8145 0.15327E-07 -7.8145 0.10000E+01 0.0000 44 HCl,aq 0.18087E-09 -9.7426 0.18087E-09 -9.7426 0.10000E+01 0.0000 61 HF,aq 0.74466E-07 -7.1280 0.74466E-07 -7.1280 0.10000E+01 0.0000 76 H2,aq 0.29001E-06 -6.5376 0.28573E-06 -6.5440 0.98524E+00 -0.0065 90 KCl,aq 0.42986E-05 -5.3667 0.42986E-05 -5.3667 0.10000E+01 0.0000 92 KOH,aq 0.16973E-06 -6.7702 0.16973E-06 -6.7702 0.10000E+01 0.0000 93 KSO4- 0.22769E-06 -6.6426 0.17508E-06 -6.7568 0.76894E+00 -0.1141 94 MgCO3,aq 0.40820E-08 -8.3891 0.40820E-08 -8.3891 0.10000E+01 0.0000 95 Mg(HCO3)+ 0.13311E-07 -7.8758 0.10282E-07 -7.9879 0.77248E+00 -0.1121 96 MgCl+ 0.10406E-07 -7.9827 0.80381E-08 -8.0948 0.77248E+00 -0.1121 97 MgF+ 0.32212E-08 -8.4920 0.24883E-08 -8.6041 0.77248E+00 -0.1121 98 MgOH+ 0.71447E-08 -8.1460 0.55191E-08 -8.2581 0.77248E+00 -0.1121 102 MnOH+ 0.78988E-10 -10.1024 0.61016E-10 -10.2146 0.77248E+00 -0.1121 107 MnCl+ 0.10103E-09 -9.9956 0.78042E-10 -10.1077 0.77248E+00 -0.1121 109 NaCl,aq 0.49084E-03 -3.3091 0.49084E-03 -3.3091 0.10000E+01 0.0000 110 NaF,aq 0.28305E-05 -5.5481 0.28305E-05 -5.5481 0.10000E+01 0.0000 111 NaOH,aq 0.12158E-05 -5.9151 0.12158E-05 -5.9151 0.10000E+01 0.0000 113 OH- 0.57437E-04 -4.2408 0.43964E-04 -4.3569 0.76543E+00 -0.1161 124 Pb(HS)2,aq 0.62521E-10 -10.2040 0.62521E-10 -10.2040 0.10000E+01 0.0000 126 H2S,aq 0.19726E-04 -4.7050 0.19435E-04 -4.7114 0.98524E+00 -0.0065 127 S2-2 0.40779E-10 -10.3896 0.15265E-10 -10.8163 0.37434E+00 -0.4267 135 HSO4- 0.12214E-09 -9.9131 0.94554E-10 -10.0243 0.77414E+00 -0.1112 164 Cu(HS)2- 0.27694E-07 -7.5576 0.21295E-07 -7.6717 0.76894E+00 -0.1141 166 CuH4S3-b 0.20358E-08 -8.6913 0.15654E-08 -8.8054 0.76894E+00 -0.1141 179 MgSO4,aq 0.38918E-09 -9.4098 0.38918E-09 -9.4098 0.10000E+01 0.0000 182 MnCO3,aq 0.33565E-08 -8.4741 0.33565E-08 -8.4741 0.10000E+01 0.0000 183 NaCO3- 0.54748E-05 -5.2616 0.42098E-05 -5.3757 0.76894E+00 -0.1141 184 NaHCO3,aq 0.26930E-04 -4.5698 0.26930E-04 -4.5698 0.10000E+01 0.0000 185 NaHS,aq 0.28843E-05 -5.5400 0.28843E-05 -5.5400 0.10000E+01 0.0000 186 NaSO4- 0.87895E-06 -6.0560 0.67586E-06 -6.1701 0.76894E+00 -0.1141 187 PbCO3,aq 0.17471E-10 -10.7577 0.17471E-10 -10.7577 0.10000E+01 0.0000 193 Zn(HS)2,aq 0.67956E-09 -9.1678 0.67956E-09 -9.1678 0.10000E+01 0.0000 194 Zn(HS)3- 0.16838E-10 -10.7737 0.12948E-10 -10.8878 0.76894E+00 -0.1141 Charge balance for all species = 0.3573E-07 Component Molality Aq.molality ppm log[A(N)/A(H+)**Z] (total) 1 H+ 0.3163816E-07 -.1291472E-04 -.1297561E-01 0.0000 2 H2O 0.1000000E+01 0.5550803E+02 0.9967940E+06 0.0000 3 Cl- 0.4520331E-01 0.4570037E-01 0.1615031E+04 6.1499 4 SO4-- 0.5268044E-05 0.6029098E-05 0.5773115E+00 9.5146 5 HCO3- 0.3050468E-02 0.3275542E-02 0.1992248E+03 4.9806 6 HS- 0.3277334E-03 0.3507685E-03 0.1156350E+02 4.0104 7 H4SiO4 0.1401384E-02 0.1514231E-02 0.1450752E+03 -2.8534 8 Al+++ 0.3410684E-21 0.1294564E-06 0.3481752E-02 0.4006 9 Ca++ 0.4596193E-04 0.5298061E-04 0.2116562E+01 10.4483 10 Mg++ 0.3115063E-06 0.3504127E-06 0.8491973E-02 8.2748 11 Fe++ 0.4354187E-15 0.1222280E-14 0.6804223E-10 -0.5786 12 K+ 0.5519683E-02 0.5524379E-02 0.2153231E+03 5.2384 13 Na+ 0.4352290E-01 0.4408307E-01 0.1010218E+04 6.1333 14 Mn++ 0.5282889E-09 0.4076748E-08 0.2232517E-03 5.5061 15 Zn++ 0.1594722E-13 0.7032295E-09 0.4582302E-04 0.9851 16 Cu+ 0.7709691E-15 0.2973017E-07 0.1883010E-02 -7.6184 17 Pb++ 0.5594005E-15 0.8061476E-10 0.1664913E-04 -0.4634 18 Hg++ 0.8257724E-39 0.3208462E-11 0.6415260E-06 -24.2957 19 F- 0.3597993E-03 0.3628435E-03 0.6871244E+01 4.0485 Component Tot moles Aq. moles Solid moles Gas moles 1 H+ 0.1822172E+00 -.8681378E-05 -.8716708E-05 0.1822346E+00 2 H2O 0.5550825E+02 0.3731296E+02 -.1367061E-01 0.1820897E+02 3 Cl- 0.3072017E-01 0.3072017E-01 0.0000000E+00 0.1057703E-10 4 SO4-- -.4257700E-02 0.4052809E-05 0.1002171E-08 -.4261754E-02 5 HCO3- 0.1832100E+00 0.2201846E-02 0.0000000E+00 0.1810082E+00 6 HS- 0.9985820E-02 0.2357895E-03 0.5809160E-07 0.9749972E-02 7 H4SiO4 0.7855346E-02 0.1017878E-02 0.6837467E-02 0.0000000E+00 8 Al+++ 0.2253680E-05 0.8702167E-07 0.2166658E-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 0.0000000E+00 0.0000000E+00 11 Fe++ 0.8017372E-08 0.8216265E-15 0.8017371E-08 0.0000000E+00 12 K+ 0.3715700E-02 0.3713533E-02 0.2166658E-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 0.0000000E+00 0.0000000E+00 15 Zn++ 0.1530000E-07 0.4727167E-09 0.1482728E-07 0.0000000E+00 16 Cu+ 0.6237410E-07 0.1998486E-07 0.4238924E-07 0.0000000E+00 17 Pb++ 0.1110000E-07 0.5418991E-10 0.1104581E-07 0.0000000E+00 18 Hg++ 0.4000000E-08 0.2156755E-11 0.0000000E+00 0.3997843E-08 19 F- 0.2439100E-03 0.2439064E-03 0.0000000E+00 0.3576344E-08 Chg. balance for solid moles: 0.4855E-16 Mass of aqueous solution: 0.674366E+03 g Temperature = 120.00 C Pressure = 1.96 bar Mixer frac. = 0.0000000 Log Log Vol Gas or mineral Moles Moles Grams Grams Wt.% (cm3) H2O,gas 18.38 1.264 331.0 2.520 97.62 0.2989E+06 CO2,gas 0.1775 -0.751 7.813 0.893 2.304 2986. CH4,gas 0.3491E-02 -2.457 0.5599E-01 -1.252 0.1651E-01 59.25 H2,gas 0.3085E-02 -2.511 0.6231E-02 -2.205 0.1838E-02 51.38 H2S,gas 0.5488E-02 -2.261 0.1870 -0.728 0.5516E-01 90.72 CO,gas 0.1616E-07 -7.792 0.4526E-06 -6.344 0.1335E-06 0.2689E-03 SO2,gas 0.1885E-15 -15.725 0.1207E-13 -13.918 0.3561E-14 0.3136E-11 HF,gas 0.3576E-08 -8.447 0.7153E-07 -7.146 0.2109E-07 0.5951E-04 HCl,gas 0.1058E-10 -10.976 0.3856E-09 -9.414 0.1137E-09 0.1760E-06 Hg,gas 0.3998E-08 -8.398 0.8019E-06 -6.096 0.2365E-06 0.6652E-04 microcline 0.2167E-05 -5.664 0.6031E-03 -3.220 0.1467 0.2356E-03 quartz 0.6831E-02 -2.166 0.4104 -0.387 99.85 0.1550 bornite 0.8017E-08 -8.096 0.4023E-05 -5.395 0.9788E-03 0.7915E-06 chalcocite 0.1151E-08 -8.939 0.1832E-06 -6.737 0.4457E-04 0.3165E-07 galena 0.1105E-07 -7.957 0.2643E-05 -5.578 0.6430E-03 0.3478E-06 sphalerite 0.1483E-07 -7.829 0.1445E-05 -5.840 0.3515E-03 0.3533E-06 Partial press. Fugacity coef Log fugacity Gas or Mineral Mole fraction or activity Activity coef Log activity H2O,gas 0.9898E+00 0.1944E+01 0.9776 0.279 CO2,gas 0.9560E-02 0.1878E-01 1.0102 -1.722 CH4,gas 0.1880E-03 0.3693E-03 1.0199 -3.424 H2,gas 0.1661E-03 0.3263E-03 1.0010 -3.486 H2S,gas 0.2956E-03 0.5806E-03 0.9934 -3.239 CO,gas 0.8702E-09 0.1709E-08 1.0000 -8.767 SO2,gas 0.1015E-16 0.1994E-16 1.0000 -16.700 HF,gas 0.1926E-09 0.3783E-09 1.0000 -9.422 HCl,gas 0.5696E-12 0.1119E-11 1.0000 -11.951 Hg,gas 0.2153E-09 0.4229E-09 1.0000 -9.374 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 chalcocite 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: 33.444818 % Solid products produced: Mass = 0.411016 g Volume = 0.155224 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 0.01 0.01 0.00 0.000 -0.83542E-10 2 CO2,gas -8.22 -8.22 -0.00 -0.000 0.41543E-10 3 CH4,gas 3.19 3.19 -0.00 -0.000 0.74299E-10 4 H2,gas 6.21 6.21 -0.00 -0.000 0.47935E-11 5 H2S,gas -7.68 -7.68 0.00 0.000 -0.25565E-10 6 CO,gas 1.25 1.25 0.00 0.000 -0.39946E-12 7 SO2,gas -1.50 -1.50 0.00 0.000 -0.39946E-12 8 HF,gas -1.45 -1.45 0.00 0.000 -0.23967E-11 9 HCl,gas 3.18 3.18 0.00 0.000 0.00000E+00 10 Hg,gas -12.20 -12.20 -0.00 -0.000 0.31956E-11 112 microcline -2.92 -2.92 -0.00 -0.000 0.11185E-10 143 quartz -2.85 -2.85 -0.00 -0.000 0.79891E-12 196 bornite -84.71 -84.71 0.00 0.000 0.00000E+00 199 chalcocite -26.44 -26.44 0.00 0.000 0.00000E+00 247 galena -11.67 -11.67 0.00 0.000 0.00000E+00 258 sphalerite -10.22 -10.22 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 15 albite-high -0.02 -2.03 -2.00 -0.154 0.36039E+04 16 albite -1.00 -2.03 -1.03 -0.079 0.18460E+04 20 analcite 2.56 0.83 -1.73 -0.193 0.31199E+04 24 anhydrite -5.70 -10.47 -4.77 -2.387 0.85894E+04 27 phlogopite 24.52 21.90 -2.61 -0.145 0.47023E+04 29 anorthite 10.45 5.54 -4.90 -0.377 0.88230E+04 32 aragonite 0.68 0.21 -0.46 -0.155 0.83599E+03 33 brucite 11.80 8.27 -3.52 -0.704 0.63339E+04 34 calcite 0.52 0.21 -0.31 -0.103 0.55369E+03 35 carnegieite-low 7.97 3.68 -4.29 -0.613 0.77240E+04 37 carpholite-Mg 6.71 3.37 -3.34 -0.223 0.60150E+04 39 celadonite 4.44 2.50 -1.94 -0.114 0.34987E+04 41 chrysotile 22.17 19.12 -3.06 -0.255 0.54967E+04 44 chloritoid-Mg 10.99 6.22 -4.77 -0.318 0.85825E+04 48 coesite -2.27 -2.85 -0.59 -0.196 0.10582E+04 55 cristobalite -2.47 -2.85 -0.39 -0.129 0.69455E+03 58 cymrite-K 1.07 -2.92 -3.99 -0.333 0.71844E+04 60 diaspore 2.10 0.40 -1.70 -0.284 0.30658E+04 61 diamond -2.84 -5.38 -2.54 -0.726 0.45706E+04 62 diopside 15.02 13.02 -2.00 -0.200 0.36013E+04 64 dolomite,ordered -0.10 -1.75 -1.65 -0.275 0.29656E+04 68 clinoenstatite 15.78 10.84 -4.94 -0.494 0.88821E+04 78 gibbsite 3.32 0.40 -2.92 -0.417 0.52575E+04 82 graphite -3.27 -5.38 -2.11 -0.602 0.37925E+04 85 halite 1.53 -2.93 -4.46 -2.231 0.80268E+04 87 heulandite -6.99 -8.72 -1.74 -0.079 0.31266E+04 91 jadeite 3.48 0.83 -2.65 -0.265 0.47671E+04 93 kalsilite 6.66 2.79 -3.87 -0.553 0.69630E+04 94 kaolinite -2.47 -4.91 -2.44 -0.222 0.43896E+04 97 laumontite 1.44 -0.16 -1.60 -0.107 0.28843E+04 98 lawsonite 7.88 5.54 -2.34 -0.156 0.42102E+04 99 leucite 3.30 -0.07 -3.36 -0.336 0.60518E+04 101 lizardite 21.59 19.12 -2.47 -0.206 0.44461E+04 102 magnesite 0.28 -1.96 -2.24 -0.747 0.40323E+04 116 muscovite 0.61 -2.12 -2.73 -0.161 0.49165E+04 117 paragonite 2.13 -1.23 -3.36 -0.198 0.60420E+04 118 nepheline 7.32 3.68 -3.64 -0.519 0.65412E+04 130 phlogopite-Na 26.89 22.80 -4.10 -0.228 0.73683E+04 132 prehnite 16.87 13.14 -3.73 -0.219 0.67068E+04 138 pyrite -20.73 -25.42 -4.70 -1.105 0.84477E+04 141 pyroxmangite 6.86 2.65 -4.21 -0.842 0.75693E+04 142 pyrophyllite -7.19 -10.61 -3.42 -0.214 0.61531E+04 148 rhodochrosite -1.21 -4.73 -3.53 -1.175 0.63419E+04 149 rhodonite 6.90 2.65 -4.25 -0.850 0.76431E+04 150 sanidine -1.77 -2.92 -1.15 -0.088 0.20678E+04 160 stilbite -8.19 -8.72 -0.53 -0.025 0.96100E+03 162 stilpnomelane-Mg 23.87 21.97 -1.90 -0.057 0.34269E+04 166 sulfur -8.97 -13.64 -4.66 -1.435 0.83916E+04 168 talc 15.02 13.41 -1.61 -0.095 0.29027E+04 176 tridymite -2.52 -2.85 -0.33 -0.110 0.59475E+03 177 tremolite 44.10 39.44 -4.66 -0.126 0.83814E+04 185 wairakite 2.25 -0.16 -2.42 -0.142 0.43466E+04 186 walstromite 10.82 7.59 -3.23 -0.645 0.58020E+04 187 wollastonite 9.83 7.59 -2.23 -0.446 0.40156E+04 188 pseudo-wollastonite 10.32 7.59 -2.73 -0.546 0.49103E+04 191 beidellite-Ca -3.15 -7.81 -4.66 -0.289 0.83913E+04 193 beidellite-K -2.94 -7.81 -4.87 -0.298 0.87648E+04 194 beidellite-Mg -3.31 -8.17 -4.86 -0.301 0.87495E+04 195 beidellite-Na -2.79 -7.51 -4.73 -0.289 0.85037E+04 198 chalcedony -2.68 -2.85 -0.18 -0.059 0.31885E+03 200 covellite -19.01 -20.04 -1.03 -0.392 0.18531E+04 201 dawsonite 1.12 -3.70 -4.82 -0.603 0.86719E+04 202 montmorillonite-Ca -3.38 -6.29 -2.91 -0.180 0.52280E+04 203 montmorillonite-K -3.25 -6.29 -3.04 -0.186 0.54650E+04 204 montmorillonite-Mg -3.59 -6.65 -3.06 -0.189 0.55074E+04 205 montmorillonite-Na -3.07 -5.99 -2.92 -0.179 0.52508E+04 227 tobermorite 9.50 5.85 -3.65 -0.997 0.65744E+04 233 alabandite -1.26 -5.70 -4.44 -1.479 0.79844E+04 238 boehmite 3.51 0.40 -3.11 -0.519 0.56027E+04 240 chalcopyrite -27.66 -31.83 -4.17 -0.776 0.75009E+04 243 copper,native -2.68 -6.40 -3.72 -1.295 0.66957E+04 244 dolomite,disordered 0.53 -1.75 -2.28 -0.381 0.41087E+04 246 fluorite -10.06 -11.89 -1.83 -0.610 0.32943E+04 255 silica-amorphous -2.03 -2.85 -0.83 -0.275 0.14843E+04 259 wurtzite -8.48 -10.22 -1.74 -0.580 0.31319E+04 261 an20ab80 1.07 -0.51 -1.58 -0.122 0.28496E+04 262 an25ab75 1.62 -0.13 -1.75 -0.135 0.31511E+04 263 an30ab70 2.17 0.24 -1.92 -0.148 0.34615E+04 Calculations done for 120.0000 Deg. C; 1.9644 bar Enthalpies: Pure water 2.1737 kcal/mole H2O,gas 11.7094 kcal/mole CO2,gas 1.1427 kcal/mole CH4,gas 1.1014 kcal/mole Current solution 81.1059 Gas 215.4247 kcal Total current enthalpy 296.5306 kcal Starting enthalpy 296.5306 kcal Temperature changed by -2.000 degrees to 118.000 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 = 8 Loop limit = 200 Temperature = 118.00 C Pressure = 1.84 bar Mixer fraction = 0.0000000 Total current enthalpy = 296.5306 KCAL Water: Moles liquid = 0.3715E+02 kg liquid = 0.6692E+00 Moles total = 0.5551E+02 kg total = 0.1000E+01 Activity = 1.0000 Stoichiometric ionic strength = .4998581E-01 Osmotic coef. = 0.9327 True ionic strength = .4944117E-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+ 0.30284E-07 -7.5188 0.23583E-07 -7.6274 0.77873E+00 -0.1086 2 H2O 0.10000E+01 -0.0000 0.10000E+01 -0.0000 3 Cl- 0.45414E-01 -1.3428 0.34954E-01 -1.4565 0.76967E+00 -0.1137 4 SO4-- 0.56136E-05 -5.2508 0.21191E-05 -5.6739 0.37749E+00 -0.4231 5 HCO3- 0.30700E-02 -2.5129 0.23710E-02 -2.6251 0.77230E+00 -0.1122 6 HS- 0.32267E-03 -3.4912 0.24844E-03 -3.6048 0.76994E+00 -0.1135 7 H4SiO4 0.13579E-02 -2.8671 0.13579E-02 -2.8671 0.10000E+01 0.0000 8 Al+++ 0.33887E-21 -21.4700 0.37578E-22 -22.4251 0.11089E+00 -0.9551 9 Ca++ 0.46268E-04 -4.3347 0.17186E-04 -4.7648 0.37145E+00 -0.4301 10 Mg++ 0.31383E-06 -6.5033 0.11536E-06 -6.9379 0.36760E+00 -0.4346 11 Fe++ 0.39276E-15 -15.4059 0.14474E-15 -15.8394 0.36852E+00 -0.4335 12 K+ 0.55446E-02 -2.2561 0.42847E-02 -2.3681 0.77277E+00 -0.1119 13 Na+ 0.43726E-01 -1.3593 0.33644E-01 -1.4731 0.76942E+00 -0.1138 14 Mn++ 0.50941E-09 -9.2929 0.18808E-09 -9.7256 0.36922E+00 -0.4327 15 Zn++ 0.14968E-13 -13.8248 0.55160E-14 -14.2584 0.36852E+00 -0.4335 16 Cu+ 0.65006E-15 -15.1870 0.50011E-15 -15.3009 0.76933E+00 -0.1139 17 Pb++ 0.48948E-15 -15.3103 0.18304E-15 -15.7375 0.37394E+00 -0.4272 18 Hg++ 0.65258E-39 -39.1854 0.24325E-39 -39.6140 0.37275E+00 -0.4286 19 F- 0.36148E-03 -3.4419 0.27679E-03 -3.5579 0.76571E+00 -0.1159 21 HSiO3- 0.82970E-04 -4.0811 0.63860E-04 -4.1948 0.76967E+00 -0.1137 22 Ca(HSiO3)+ 0.44406E-07 -7.3526 0.34333E-07 -7.4643 0.77315E+00 -0.1117 23 Mg(HSiO3)+ 0.34405E-09 -9.4634 0.26601E-09 -9.5751 0.77315E+00 -0.1117 24 NaHSiO3,aq 0.29536E-04 -4.5296 0.29536E-04 -4.5296 0.10000E+01 0.0000 27 HAlO2,aq 0.60940E-09 -9.2151 0.60940E-09 -9.2151 0.10000E+01 0.0000 28 AlO2- 0.11809E-06 -6.9278 0.90485E-07 -7.0434 0.76623E+00 -0.1156 29 CH4,aq 0.26830E-06 -6.5714 0.26434E-06 -6.5778 0.98522E+00 -0.0065 35 CO2,aq 0.15769E-03 -3.8022 0.15536E-03 -3.8087 0.98522E+00 -0.0065 36 CO3-2 0.20973E-04 -4.6783 0.78799E-05 -5.1035 0.37572E+00 -0.4251 37 CaCO3,aq 0.28007E-05 -5.5527 0.28007E-05 -5.5527 0.10000E+01 0.0000 38 Ca(HCO3)+ 0.18984E-05 -5.7216 0.14678E-05 -5.8333 0.77315E+00 -0.1117 39 CaCl+ 0.18381E-05 -5.7356 0.14212E-05 -5.8474 0.77315E+00 -0.1117 40 CaCl2,aq 0.12085E-07 -7.9178 0.12085E-07 -7.9178 0.10000E+01 0.0000 41 CaF+ 0.13234E-06 -6.8783 0.10232E-06 -6.9900 0.77315E+00 -0.1117 42 CaOH+ 0.20748E-06 -6.6830 0.16041E-06 -6.7948 0.77315E+00 -0.1117 43 CaSO4,aq 0.15986E-07 -7.7963 0.15986E-07 -7.7963 0.10000E+01 0.0000 44 HCl,aq 0.17084E-09 -9.7674 0.17084E-09 -9.7674 0.10000E+01 0.0000 61 HF,aq 0.68609E-07 -7.1636 0.68609E-07 -7.1636 0.10000E+01 0.0000 76 H2,aq 0.26064E-06 -6.5840 0.25679E-06 -6.5904 0.98522E+00 -0.0065 90 KCl,aq 0.41596E-05 -5.3810 0.41596E-05 -5.3810 0.10000E+01 0.0000 92 KOH,aq 0.16464E-06 -6.7835 0.16464E-06 -6.7835 0.10000E+01 0.0000 93 KSO4- 0.23753E-06 -6.6243 0.18282E-06 -6.7380 0.76967E+00 -0.1137 94 MgCO3,aq 0.42037E-08 -8.3764 0.42037E-08 -8.3764 0.10000E+01 0.0000 95 Mg(HCO3)+ 0.13034E-07 -7.8849 0.10077E-07 -7.9967 0.77315E+00 -0.1117 96 MgCl+ 0.10235E-07 -7.9899 0.79131E-08 -8.1017 0.77315E+00 -0.1117 97 MgF+ 0.31491E-08 -8.5018 0.24347E-08 -8.6136 0.77315E+00 -0.1117 98 MgOH+ 0.67886E-08 -8.1682 0.52486E-08 -8.2800 0.77315E+00 -0.1117 102 MnOH+ 0.72839E-10 -10.1376 0.56315E-10 -10.2494 0.77315E+00 -0.1117 107 MnCl+ 0.92371E-10 -10.0345 0.71417E-10 -10.1462 0.77315E+00 -0.1117 109 NaCl,aq 0.48493E-03 -3.3143 0.48493E-03 -3.3143 0.10000E+01 0.0000 110 NaF,aq 0.27895E-05 -5.5545 0.27895E-05 -5.5545 0.10000E+01 0.0000 111 NaOH,aq 0.11899E-05 -5.9245 0.11899E-05 -5.9245 0.10000E+01 0.0000 113 OH- 0.56383E-04 -4.2488 0.43203E-04 -4.3645 0.76623E+00 -0.1156 124 Pb(HS)2,aq 0.55726E-10 -10.2539 0.55726E-10 -10.2539 0.10000E+01 0.0000 126 H2S,aq 0.18570E-04 -4.7312 0.18296E-04 -4.7377 0.98522E+00 -0.0065 127 S2-2 0.39384E-10 -10.4047 0.14797E-10 -10.8298 0.37572E+00 -0.4251 135 HSO4- 0.11699E-09 -9.9318 0.90646E-10 -10.0427 0.77481E+00 -0.1108 164 Cu(HS)2- 0.26132E-07 -7.5828 0.20113E-07 -7.6965 0.76967E+00 -0.1137 166 CuH4S3-b 0.20777E-08 -8.6824 0.15991E-08 -8.7961 0.76967E+00 -0.1137 179 MgSO4,aq 0.40422E-09 -9.3934 0.40422E-09 -9.3934 0.10000E+01 0.0000 182 MnCO3,aq 0.34097E-08 -8.4673 0.34097E-08 -8.4673 0.10000E+01 0.0000 183 NaCO3- 0.57279E-05 -5.2420 0.44086E-05 -5.3557 0.76967E+00 -0.1137 184 NaHCO3,aq 0.26678E-04 -4.5738 0.26678E-04 -4.5738 0.10000E+01 0.0000 185 NaHS,aq 0.27954E-05 -5.5536 0.27954E-05 -5.5536 0.10000E+01 0.0000 186 NaSO4- 0.92916E-06 -6.0319 0.71515E-06 -6.1456 0.76967E+00 -0.1137 187 PbCO3,aq 0.15797E-10 -10.8014 0.15797E-10 -10.8014 0.10000E+01 0.0000 193 Zn(HS)2,aq 0.62401E-09 -9.2048 0.62401E-09 -9.2048 0.10000E+01 0.0000 194 Zn(HS)3- 0.15254E-10 -10.8166 0.11740E-10 -10.9303 0.76967E+00 -0.1137 Charge balance for all species = 0.3589E-07 Component Molality Aq.molality ppm log[A(N)/A(H+)**Z] (total) 1 H+ 0.3028437E-07 -.2419276E-04 -.2430660E-01 0.0000 2 H2O 0.1000000E+01 0.5550804E+02 0.9967850E+06 0.0000 3 Cl- 0.4541427E-01 0.4590523E-01 0.1622255E+04 6.1709 4 SO4-- 0.5613580E-05 0.6463331E-05 0.6188855E+00 9.5809 5 HCO3- 0.3069999E-02 0.3286053E-02 0.1998623E+03 5.0023 6 HS- 0.3226714E-03 0.3444303E-03 0.1135445E+02 4.0226 7 H4SiO4 0.1357935E-02 0.1470486E-02 0.1408828E+03 -2.8671 8 Al+++ 0.3388666E-21 0.1187002E-06 0.3192431E-02 0.4571 9 Ca++ 0.4626849E-04 0.5321810E-04 0.2126030E+01 10.4900 10 Mg++ 0.3138253E-06 0.3519834E-06 0.8529960E-02 8.3169 11 Fe++ 0.3927639E-15 0.1072355E-14 0.5969566E-10 -0.5846 12 K+ 0.5544570E-02 0.5549132E-02 0.2162858E+03 5.2593 13 Na+ 0.4372610E-01 0.4428067E-01 0.1014737E+04 6.1543 14 Mn++ 0.5094058E-09 0.4095023E-08 0.2242504E-03 5.5291 15 Zn++ 0.1496780E-13 0.6452531E-09 0.4204484E-04 0.9964 16 Cu+ 0.6500636E-15 0.2821038E-07 0.1786736E-02 -7.6735 17 Pb++ 0.4894812E-15 0.7206375E-10 0.1488297E-04 -0.4827 18 Hg++ 0.6525791E-39 0.3108992E-11 0.6216314E-06 -24.3592 19 F- 0.3614768E-03 0.3644704E-03 0.6901990E+01 4.0695 Component Tot moles Aq. moles Solid moles Gas moles 1 H+ 0.1822172E+00 -.1619000E-04 -.8747654E-05 0.1822422E+00 2 H2O 0.5550825E+02 0.3714645E+02 -.1373822E-01 0.1837554E+02 3 Cl- 0.3072017E-01 0.3072017E-01 0.0000000E+00 0.9547825E-11 4 SO4-- -.4257700E-02 0.4325316E-05 0.1002171E-08 -.4262026E-02 5 HCO3- 0.1832100E+00 0.2199054E-02 0.0000000E+00 0.1810109E+00 6 HS- 0.9985820E-02 0.2304957E-03 0.5869159E-07 0.9755265E-02 7 H4SiO4 0.7855346E-02 0.9840616E-03 0.6871284E-02 0.0000000E+00 8 Al+++ 0.2253680E-05 0.7943515E-07 0.2174245E-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 0.0000000E+00 0.0000000E+00 11 Fe++ 0.8017372E-08 0.7176293E-15 0.8017371E-08 0.0000000E+00 12 K+ 0.3715700E-02 0.3713526E-02 0.2174245E-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 0.0000000E+00 0.0000000E+00 15 Zn++ 0.1530000E-07 0.4318088E-09 0.1486819E-07 0.0000000E+00 16 Cu+ 0.6237410E-07 0.1887863E-07 0.4349547E-07 0.0000000E+00 17 Pb++ 0.1110000E-07 0.4822567E-10 0.1105177E-07 0.0000000E+00 18 Hg++ 0.4000000E-08 0.2080564E-11 0.0000000E+00 0.3997919E-08 19 F- 0.2439100E-03 0.2439067E-03 0.0000000E+00 0.3300494E-08 Chg. balance for solid moles: 0.6582E-17 Mass of aqueous solution: 0.671363E+03 g Temperature = 118.00 C Pressure = 1.84 bar Mixer frac. = 0.0000000 Log Log Vol Gas or mineral Moles Moles Grams Grams Wt.% (cm3) H2O,gas 18.55 1.268 334.0 2.524 97.64 0.3200E+06 CO2,gas 0.1775 -0.751 7.812 0.893 2.284 3164. CH4,gas 0.3509E-02 -2.455 0.5628E-01 -1.250 0.1645E-01 63.09 H2,gas 0.3013E-02 -2.521 0.6085E-02 -2.216 0.1779E-02 53.19 H2S,gas 0.5493E-02 -2.260 0.1872 -0.728 0.5473E-01 96.29 CO,gas 0.1466E-07 -7.834 0.4105E-06 -6.387 0.1200E-06 0.2586E-03 SO2,gas 0.1602E-15 -15.795 0.1026E-13 -13.989 0.3001E-14 0.2827E-11 HF,gas 0.3300E-08 -8.481 0.6601E-07 -7.180 0.1930E-07 0.5822E-04 HCl,gas 0.9548E-11 -11.020 0.3481E-09 -9.458 0.1018E-09 0.1684E-06 Hg,gas 0.3998E-08 -8.398 0.8019E-06 -6.096 0.2344E-06 0.7053E-04 microcline 0.2174E-05 -5.663 0.6052E-03 -3.218 0.1465 0.2364E-03 quartz 0.6865E-02 -2.163 0.4124 -0.385 99.85 0.1558 bornite 0.8017E-08 -8.096 0.4023E-05 -5.395 0.9740E-03 0.7915E-06 chalcocite 0.1704E-08 -8.768 0.2712E-06 -6.567 0.6566E-04 0.4685E-07 galena 0.1105E-07 -7.957 0.2644E-05 -5.578 0.6402E-03 0.3480E-06 sphalerite 0.1487E-07 -7.828 0.1449E-05 -5.839 0.3507E-03 0.3543E-06 Partial press. Fugacity coef Log fugacity Gas or Mineral Mole fraction or activity Activity coef Log activity H2O,gas 0.9899E+00 0.1825E+01 0.9786 0.252 CO2,gas 0.9474E-02 0.1747E-01 1.0099 -1.754 CH4,gas 0.1873E-03 0.3453E-03 1.0190 -3.454 H2,gas 0.1608E-03 0.2964E-03 1.0009 -3.528 H2S,gas 0.2932E-03 0.5405E-03 0.9937 -3.270 CO,gas 0.7823E-09 0.1442E-08 1.0000 -8.841 SO2,gas 0.8552E-17 0.1577E-16 1.0000 -16.802 HF,gas 0.1762E-09 0.3248E-09 1.0000 -9.488 HCl,gas 0.5096E-12 0.9395E-12 1.0000 -12.027 Hg,gas 0.2134E-09 0.3934E-09 1.0000 -9.405 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 chalcocite 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: 33.740778 % Solid products produced: Mass = 0.413048 g Volume = 0.155991 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 0.01 0.01 0.00 0.000 -0.68745E-10 2 CO2,gas -8.23 -8.23 -0.00 -0.000 0.31794E-10 3 CH4,gas 3.16 3.16 -0.00 -0.000 0.58819E-10 4 H2,gas 6.22 6.22 -0.00 -0.000 0.31794E-11 5 H2S,gas -7.70 -7.70 0.00 0.000 -0.20666E-10 6 CO,gas 1.28 1.28 -0.00 -0.000 0.79485E-12 7 SO2,gas -1.44 -1.44 -0.00 -0.000 0.79485E-12 8 HF,gas -1.43 -1.43 -0.00 -0.000 0.15897E-11 9 HCl,gas 3.21 3.21 0.00 0.000 -0.39742E-11 10 Hg,gas -12.26 -12.26 -0.00 -0.000 0.31794E-11 112 microcline -2.88 -2.88 -0.00 -0.000 0.95382E-11 143 quartz -2.87 -2.87 0.00 0.000 0.00000E+00 196 bornite -85.09 -85.09 0.00 0.000 -0.25435E-10 199 chalcocite -26.58 -26.58 0.00 0.000 0.00000E+00 247 galena -11.71 -11.71 -0.00 -0.000 0.63588E-11 258 sphalerite -10.24 -10.24 -0.00 -0.000 0.63588E-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 0.04 -1.99 -2.03 -0.156 0.36325E+04 16 albite -0.95 -1.99 -1.04 -0.080 0.18666E+04 20 analcite 2.63 0.88 -1.75 -0.195 0.31350E+04 24 anhydrite -5.66 -10.44 -4.78 -2.388 0.85486E+04 27 phlogopite 24.75 22.07 -2.69 -0.149 0.48058E+04 29 anorthite 10.65 5.67 -4.98 -0.383 0.89214E+04 32 aragonite 0.70 0.24 -0.47 -0.155 0.83287E+03 33 brucite 11.87 8.32 -3.55 -0.710 0.63559E+04 34 calcite 0.55 0.24 -0.31 -0.103 0.55204E+03 35 carnegieite-low 8.07 3.74 -4.33 -0.618 0.77421E+04 37 carpholite-Mg 6.88 3.50 -3.39 -0.226 0.60622E+04 39 celadonite 4.52 2.56 -1.96 -0.115 0.35073E+04 41 chrysotile 22.33 19.22 -3.11 -0.260 0.55748E+04 44 chloritoid-Mg 11.20 6.36 -4.83 -0.322 0.86502E+04 48 coesite -2.28 -2.87 -0.59 -0.197 0.10573E+04 55 cristobalite -2.48 -2.87 -0.39 -0.130 0.69770E+03 58 cymrite-K 1.13 -2.88 -4.01 -0.334 0.71792E+04 60 diaspore 2.18 0.46 -1.72 -0.286 0.30765E+04 61 diamond -2.86 -5.40 -2.54 -0.726 0.45468E+04 62 diopside 15.13 13.07 -2.05 -0.205 0.36737E+04 64 dolomite,ordered -0.04 -1.70 -1.66 -0.276 0.29630E+04 78 gibbsite 3.39 0.46 -2.94 -0.419 0.52546E+04 82 graphite -3.30 -5.40 -2.11 -0.602 0.37709E+04 85 halite 1.53 -2.93 -4.46 -2.231 0.79856E+04 87 heulandite -6.89 -8.67 -1.78 -0.081 0.31813E+04 91 jadeite 3.54 0.88 -2.67 -0.267 0.47726E+04 93 kalsilite 6.74 2.85 -3.89 -0.556 0.69652E+04 94 kaolinite -2.36 -4.82 -2.46 -0.223 0.43964E+04 97 laumontite 1.57 -0.06 -1.63 -0.109 0.29206E+04 98 lawsonite 8.04 5.67 -2.37 -0.158 0.42453E+04 99 leucite 3.37 -0.02 -3.39 -0.339 0.60634E+04 101 lizardite 21.74 19.22 -2.52 -0.210 0.45186E+04 102 magnesite 0.32 -1.94 -2.25 -0.751 0.40323E+04 116 muscovite 0.79 -1.97 -2.76 -0.162 0.49436E+04 117 paragonite 2.32 -1.08 -3.40 -0.200 0.60858E+04 118 nepheline 7.41 3.74 -3.67 -0.524 0.65605E+04 130 phlogopite-Na 27.15 22.96 -4.19 -0.233 0.74917E+04 132 prehnite 17.10 13.29 -3.80 -0.224 0.68058E+04 138 pyrite -20.77 -25.47 -4.70 -1.106 0.84101E+04 141 pyroxmangite 6.91 2.66 -4.25 -0.850 0.76028E+04 142 pyrophyllite -7.10 -10.55 -3.45 -0.216 0.61779E+04 148 rhodochrosite -1.18 -4.72 -3.54 -1.180 0.63336E+04 149 rhodonite 6.95 2.66 -4.29 -0.858 0.76770E+04 150 sanidine -1.73 -2.88 -1.16 -0.089 0.20677E+04 160 stilbite -8.14 -8.67 -0.53 -0.025 0.94376E+03 162 stilpnomelane-Mg 24.19 22.19 -2.00 -0.060 0.35859E+04 166 sulfur -8.99 -13.66 -4.67 -1.437 0.83562E+04 168 talc 15.16 13.48 -1.67 -0.099 0.29975E+04 176 tridymite -2.53 -2.87 -0.33 -0.111 0.59655E+03 177 tremolite 44.45 39.63 -4.82 -0.130 0.86253E+04 185 wairakite 2.40 -0.06 -2.47 -0.145 0.44167E+04 186 walstromite 10.88 7.62 -3.26 -0.652 0.58364E+04 187 wollastonite 9.89 7.62 -2.26 -0.453 0.40495E+04 188 pseudo-wollastonite 10.39 7.62 -2.76 -0.553 0.49466E+04 191 beidellite-Ca -3.01 -7.73 -4.71 -0.291 0.84327E+04 193 beidellite-K -2.81 -7.72 -4.91 -0.301 0.87899E+04 194 beidellite-Mg -3.17 -8.08 -4.91 -0.304 0.87923E+04 195 beidellite-Na -2.66 -7.43 -4.77 -0.292 0.85346E+04 198 chalcedony -2.69 -2.87 -0.18 -0.059 0.31887E+03 200 covellite -19.10 -20.12 -1.02 -0.389 0.18289E+04 201 dawsonite 1.17 -3.64 -4.81 -0.601 0.86067E+04 202 montmorillonite-Ca -3.29 -6.23 -2.94 -0.182 0.52666E+04 203 montmorillonite-K -3.16 -6.22 -3.07 -0.188 0.54887E+04 204 montmorillonite-Mg -3.49 -6.59 -3.10 -0.192 0.55471E+04 205 montmorillonite-Na -2.98 -5.93 -2.95 -0.181 0.52788E+04 227 tobermorite 9.53 5.87 -3.66 -0.999 0.65544E+04 233 alabandite -1.24 -5.70 -4.47 -1.489 0.79954E+04 238 boehmite 3.60 0.46 -3.14 -0.523 0.56211E+04 240 chalcopyrite -27.75 -31.93 -4.19 -0.779 0.74960E+04 243 copper,native -2.71 -6.46 -3.75 -1.303 0.67058E+04 244 dolomite,disordered 0.60 -1.70 -2.30 -0.383 0.41115E+04 246 fluorite -10.05 -11.88 -1.83 -0.611 0.32802E+04 255 silica-amorphous -2.04 -2.87 -0.83 -0.277 0.14879E+04 259 wurtzite -8.49 -10.24 -1.75 -0.583 0.31320E+04 261 an20ab80 1.16 -0.46 -1.61 -0.124 0.28878E+04 262 an25ab75 1.71 -0.07 -1.78 -0.137 0.31935E+04 263 an30ab70 2.27 0.31 -1.96 -0.151 0.35080E+04 Calculations done for 118.0000 Deg. C; 1.8435 bar Enthalpies: Pure water 2.1373 kcal/mole H2O,gas 11.6968 kcal/mole CO2,gas 1.1195 kcal/mole CH4,gas 1.0785 kcal/mole Current solution 79.3940 Gas 217.1366 kcal Total current enthalpy 296.5306 kcal Starting enthalpy 296.5306 kcal Temperature changed by -2.000 degrees to 116.000 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 = 8 Loop limit = 200 Temperature = 116.00 C Pressure = 1.73 bar Mixer fraction = 0.0000000 Total current enthalpy = 296.5306 KCAL Water: Moles liquid = 0.3698E+02 kg liquid = 0.6662E+00 Moles total = 0.5551E+02 kg total = 0.1000E+01 Activity = 1.0000 Stoichiometric ionic strength = .5020417E-01 Osmotic coef. = 0.9330 True ionic strength = .4967172E-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+ 0.28966E-07 -7.5381 0.22579E-07 -7.6463 0.77948E+00 -0.1082 2 H2O 0.10000E+01 -0.0000 0.10000E+01 -0.0000 3 Cl- 0.45625E-01 -1.3408 0.35149E-01 -1.4541 0.77039E+00 -0.1133 4 SO4-- 0.59817E-05 -5.2232 0.22662E-05 -5.6447 0.37885E+00 -0.4215 5 HCO3- 0.30894E-02 -2.5101 0.23881E-02 -2.6219 0.77299E+00 -0.1118 6 HS- 0.31757E-03 -3.4982 0.24474E-03 -3.6113 0.77065E+00 -0.1131 7 H4SiO4 0.13153E-02 -2.8810 0.13153E-02 -2.8810 0.10000E+01 0.0000 8 Al+++ 0.33633E-21 -21.4732 0.37610E-22 -22.4247 0.11183E+00 -0.9515 9 Ca++ 0.46571E-04 -4.3319 0.17363E-04 -4.7604 0.37283E+00 -0.4285 10 Mg++ 0.31611E-06 -6.5002 0.11665E-06 -6.9331 0.36901E+00 -0.4330 11 Fe++ 0.35403E-15 -15.4510 0.13097E-15 -15.8828 0.36993E+00 -0.4319 12 K+ 0.55695E-02 -2.2542 0.43077E-02 -2.3658 0.77344E+00 -0.1116 13 Na+ 0.43929E-01 -1.3572 0.33831E-01 -1.4707 0.77013E+00 -0.1134 14 Mn++ 0.49057E-09 -9.3093 0.18181E-09 -9.7404 0.37062E+00 -0.4311 15 Zn++ 0.14029E-13 -13.8530 0.51897E-14 -14.2849 0.36993E+00 -0.4319 16 Cu+ 0.54677E-15 -15.2622 0.42103E-15 -15.3757 0.77004E+00 -0.1135 17 Pb++ 0.42731E-15 -15.3693 0.16037E-15 -15.7949 0.37530E+00 -0.4256 18 Hg++ 0.51361E-39 -39.2894 0.19215E-39 -39.7164 0.37412E+00 -0.4270 19 F- 0.36315E-03 -3.4399 0.27836E-03 -3.5554 0.76652E+00 -0.1155 21 HSiO3- 0.82207E-04 -4.0851 0.63332E-04 -4.1984 0.77039E+00 -0.1133 22 Ca(HSiO3)+ 0.42919E-07 -7.3674 0.33211E-07 -7.4787 0.77381E+00 -0.1114 23 Mg(HSiO3)+ 0.33556E-09 -9.4742 0.25966E-09 -9.5856 0.77381E+00 -0.1114 24 NaHSiO3,aq 0.29971E-04 -4.5233 0.29971E-04 -4.5233 0.10000E+01 0.0000 27 HAlO2,aq 0.56247E-09 -9.2499 0.56247E-09 -9.2499 0.10000E+01 0.0000 28 AlO2- 0.10813E-06 -6.9661 0.82936E-07 -7.0813 0.76702E+00 -0.1152 29 CH4,aq 0.24909E-06 -6.6036 0.24540E-06 -6.6101 0.98520E+00 -0.0065 35 CO2,aq 0.14815E-03 -3.8293 0.14596E-03 -3.8358 0.98520E+00 -0.0065 36 CO3-2 0.22169E-04 -4.6542 0.83600E-05 -5.0778 0.37709E+00 -0.4235 37 CaCO3,aq 0.28448E-05 -5.5459 0.28448E-05 -5.5459 0.10000E+01 0.0000 38 Ca(HCO3)+ 0.18569E-05 -5.7312 0.14369E-05 -5.8426 0.77381E+00 -0.1114 39 CaCl+ 0.17890E-05 -5.7474 0.13844E-05 -5.8588 0.77381E+00 -0.1114 40 CaCl2,aq 0.11807E-07 -7.9278 0.11807E-07 -7.9278 0.10000E+01 0.0000 41 CaF+ 0.12872E-06 -6.8904 0.99603E-07 -7.0017 0.77381E+00 -0.1114 42 CaOH+ 0.19439E-06 -6.7113 0.15042E-06 -6.8227 0.77381E+00 -0.1114 43 CaSO4,aq 0.16675E-07 -7.7779 0.16675E-07 -7.7779 0.10000E+01 0.0000 44 HCl,aq 0.16134E-09 -9.7922 0.16134E-09 -9.7922 0.10000E+01 0.0000 61 HF,aq 0.63168E-07 -7.1995 0.63168E-07 -7.1995 0.10000E+01 0.0000 76 H2,aq 0.23403E-06 -6.6307 0.23056E-06 -6.6372 0.98520E+00 -0.0065 90 KCl,aq 0.40241E-05 -5.3953 0.40241E-05 -5.3953 0.10000E+01 0.0000 92 KOH,aq 0.15959E-06 -6.7970 0.15959E-06 -6.7970 0.10000E+01 0.0000 93 KSO4- 0.24786E-06 -6.6058 0.19095E-06 -6.7191 0.77039E+00 -0.1133 94 MgCO3,aq 0.43293E-08 -8.3636 0.43293E-08 -8.3636 0.10000E+01 0.0000 95 Mg(HCO3)+ 0.12764E-07 -7.8940 0.98771E-08 -8.0054 0.77381E+00 -0.1114 96 MgCl+ 0.10069E-07 -7.9970 0.77912E-08 -8.1084 0.77381E+00 -0.1114 97 MgF+ 0.30792E-08 -8.5116 0.23827E-08 -8.6229 0.77381E+00 -0.1114 98 MgOH+ 0.64468E-08 -8.1907 0.49886E-08 -8.3020 0.77381E+00 -0.1114 102 MnOH+ 0.67056E-10 -10.1736 0.51889E-10 -10.2849 0.77381E+00 -0.1114 107 MnCl+ 0.84354E-10 -10.0739 0.65275E-10 -10.1853 0.77381E+00 -0.1114 109 NaCl,aq 0.47912E-03 -3.3196 0.47912E-03 -3.3196 0.10000E+01 0.0000 110 NaF,aq 0.27492E-05 -5.5608 0.27492E-05 -5.5608 0.10000E+01 0.0000 111 NaOH,aq 0.11639E-05 -5.9341 0.11639E-05 -5.9341 0.10000E+01 0.0000 113 OH- 0.55314E-04 -4.2572 0.42427E-04 -4.3724 0.76702E+00 -0.1152 124 Pb(HS)2,aq 0.49615E-10 -10.3044 0.49615E-10 -10.3044 0.10000E+01 0.0000 126 H2S,aq 0.17479E-04 -4.7575 0.17220E-04 -4.7640 0.98520E+00 -0.0065 127 S2-2 0.38013E-10 -10.4201 0.14335E-10 -10.8436 0.37709E+00 -0.4235 135 HSO4- 0.11198E-09 -9.9509 0.86837E-10 -10.0613 0.77546E+00 -0.1104 164 Cu(HS)2- 0.24632E-07 -7.6085 0.18976E-07 -7.7218 0.77039E+00 -0.1133 166 CuH4S3-b 0.21185E-08 -8.6740 0.16321E-08 -8.7873 0.77039E+00 -0.1133 179 MgSO4,aq 0.41974E-09 -9.3770 0.41974E-09 -9.3770 0.10000E+01 0.0000 182 MnCO3,aq 0.34617E-08 -8.4607 0.34617E-08 -8.4607 0.10000E+01 0.0000 183 NaCO3- 0.59942E-05 -5.2223 0.46179E-05 -5.3356 0.77039E+00 -0.1133 184 NaHCO3,aq 0.26415E-04 -4.5781 0.26415E-04 -4.5781 0.10000E+01 0.0000 185 NaHS,aq 0.27070E-05 -5.5675 0.27070E-05 -5.5675 0.10000E+01 0.0000 186 NaSO4- 0.98229E-06 -6.0078 0.75675E-06 -6.1210 0.77039E+00 -0.1133 187 PbCO3,aq 0.14266E-10 -10.8457 0.14266E-10 -10.8457 0.10000E+01 0.0000 193 Zn(HS)2,aq 0.57242E-09 -9.2423 0.57242E-09 -9.2423 0.10000E+01 0.0000 194 Zn(HS)3- 0.13808E-10 -10.8599 0.10637E-10 -10.9732 0.77039E+00 -0.1133 Charge balance for all species = 0.3605E-07 Component Molality Aq.molality ppm log[A(N)/A(H+)**Z] (total) 1 H+ 0.2896633E-07 -.3484065E-04 -.3500427E-01 -0.0000 2 H2O 0.1000000E+01 0.5550805E+02 0.9967758E+06 0.0000 3 Cl- 0.4562532E-01 0.4611029E-01 0.1629487E+04 6.1922 4 SO4-- 0.5981737E-05 0.6921506E-05 0.6627511E+00 9.6479 5 HCO3- 0.3089435E-02 0.3297140E-02 0.2005348E+03 5.0244 6 HS- 0.3175679E-03 0.3381182E-03 0.1114626E+02 4.0350 7 H4SiO4 0.1315309E-02 0.1427531E-02 0.1367661E+03 -2.8810 8 Al+++ 0.3363313E-21 0.1086892E-06 0.2923160E-02 0.5142 9 Ca++ 0.4657059E-04 0.5345582E-04 0.2135508E+01 10.5322 10 Mg++ 0.3161122E-06 0.3535557E-06 0.8567984E-02 8.3595 11 Fe++ 0.3540342E-15 0.9406259E-15 0.5236207E-10 -0.5902 12 K+ 0.5569477E-02 0.5573909E-02 0.2172496E+03 5.2805 13 Na+ 0.4392937E-01 0.4447847E-01 0.1019260E+04 6.1756 14 Mn++ 0.4905725E-09 0.4113315E-08 0.2252500E-03 5.5522 15 Zn++ 0.1402888E-13 0.5914622E-09 0.3853945E-04 1.0077 16 Cu+ 0.5467653E-15 0.2675022E-07 0.1694239E-02 -7.7294 17 Pb++ 0.4273055E-15 0.6434905E-10 0.1328957E-04 -0.5023 18 Hg++ 0.5136079E-39 0.3013184E-11 0.6024694E-06 -24.4238 19 F- 0.3631548E-03 0.3660989E-03 0.6932763E+01 4.0909 Component Tot moles Aq. moles Solid moles Gas moles 1 H+ 0.1822172E+00 -.2321197E-04 -.8776317E-05 0.1822492E+00 2 H2O 0.5550825E+02 0.3698126E+02 -.1380420E-01 0.1854080E+02 3 Cl- 0.3072017E-01 0.3072017E-01 0.0000000E+00 0.8609058E-11 4 SO4-- -.4257700E-02 0.4611331E-05 0.1002171E-08 -.4262312E-02 5 HCO3- 0.1832100E+00 0.2196661E-02 0.0000000E+00 0.1810133E+00 6 HS- 0.9985820E-02 0.2252653E-03 0.5926308E-07 0.9760495E-02 7 H4SiO4 0.7855346E-02 0.9510671E-03 0.6904279E-02 0.0000000E+00 8 Al+++ 0.2253680E-05 0.7241228E-07 0.2181268E-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 0.0000000E+00 0.0000000E+00 11 Fe++ 0.8017372E-08 0.6266754E-15 0.8017371E-08 0.0000000E+00 12 K+ 0.3715700E-02 0.3713519E-02 0.2181268E-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 0.0000000E+00 0.0000000E+00 15 Zn++ 0.1530000E-07 0.3940513E-09 0.1490595E-07 0.0000000E+00 16 Cu+ 0.6237410E-07 0.1782186E-07 0.4455224E-07 0.0000000E+00 17 Pb++ 0.1110000E-07 0.4287142E-10 0.1105713E-07 0.0000000E+00 18 Hg++ 0.4000000E-08 0.2007481E-11 0.0000000E+00 0.3997993E-08 19 F- 0.2439100E-03 0.2439070E-03 0.0000000E+00 0.3043117E-08 Chg. balance for solid moles: 0.5056E-17 Mass of aqueous solution: 0.668383E+03 g Temperature = 116.00 C Pressure = 1.73 bar Mixer frac. = 0.0000000 Log Log Vol Gas or mineral Moles Moles Grams Grams Wt.% (cm3) H2O,gas 18.71 1.272 337.0 2.528 97.66 0.3430E+06 CO2,gas 0.1775 -0.751 7.811 0.893 2.264 3356. CH4,gas 0.3527E-02 -2.453 0.5657E-01 -1.247 0.1640E-01 67.23 H2,gas 0.2941E-02 -2.532 0.5941E-02 -2.226 0.1722E-02 55.10 H2S,gas 0.5498E-02 -2.260 0.1874 -0.727 0.5430E-01 102.3 CO,gas 0.1328E-07 -7.877 0.3720E-06 -6.429 0.1078E-06 0.2486E-03 SO2,gas 0.1359E-15 -15.867 0.8709E-14 -14.060 0.2524E-14 0.2545E-11 HF,gas 0.3043E-08 -8.517 0.6086E-07 -7.216 0.1764E-07 0.5696E-04 HCl,gas 0.8609E-11 -11.065 0.3139E-09 -9.503 0.9097E-10 0.1611E-06 Hg,gas 0.3998E-08 -8.398 0.8020E-06 -6.096 0.2324E-06 0.7483E-04 microcline 0.2181E-05 -5.661 0.6071E-03 -3.217 0.1463 0.2372E-03 quartz 0.6898E-02 -2.161 0.4144 -0.383 99.85 0.1565 bornite 0.8017E-08 -8.096 0.4023E-05 -5.395 0.9694E-03 0.7915E-06 chalcocite 0.2233E-08 -8.651 0.3553E-06 -6.449 0.8561E-04 0.6138E-07 galena 0.1106E-07 -7.956 0.2645E-05 -5.578 0.6374E-03 0.3482E-06 sphalerite 0.1491E-07 -7.827 0.1452E-05 -5.838 0.3499E-03 0.3552E-06 Partial press. Fugacity coef Log fugacity Gas or Mineral Mole fraction or activity Activity coef Log activity H2O,gas 0.9900E+00 0.1711E+01 0.9796 0.224 CO2,gas 0.9390E-02 0.1623E-01 1.0095 -1.786 CH4,gas 0.1866E-03 0.3226E-03 1.0182 -3.484 H2,gas 0.1556E-03 0.2690E-03 1.0009 -3.570 H2S,gas 0.2909E-03 0.5028E-03 0.9940 -3.301 CO,gas 0.7026E-09 0.1215E-08 1.0000 -8.916 SO2,gas 0.7193E-17 0.1243E-16 1.0000 -16.905 HF,gas 0.1610E-09 0.2783E-09 1.0000 -9.555 HCl,gas 0.4555E-12 0.7873E-12 1.0000 -12.104 Hg,gas 0.2115E-09 0.3656E-09 1.0000 -9.437 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 chalcocite 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: 34.034393 % Solid products produced: Mass = 0.415032 g Volume = 0.156740 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 0.01 0.01 0.00 0.000 -0.56000E-10 2 CO2,gas -8.25 -8.25 -0.00 -0.000 0.25305E-10 3 CH4,gas 3.13 3.13 -0.00 -0.000 0.47447E-10 4 H2,gas 6.23 6.23 -0.00 -0.000 0.15816E-11 5 H2S,gas -7.72 -7.72 0.00 0.000 -0.15816E-10 6 CO,gas 1.30 1.30 -0.00 -0.000 0.79078E-12 7 SO2,gas -1.37 -1.37 -0.00 -0.000 0.31631E-11 8 HF,gas -1.41 -1.41 0.00 0.000 -0.15816E-11 9 HCl,gas 3.24 3.24 -0.00 -0.000 0.23724E-11 10 Hg,gas -12.33 -12.33 0.00 0.000 -0.31631E-11 112 microcline -2.85 -2.85 -0.00 -0.000 0.15816E-10 143 quartz -2.88 -2.88 0.00 0.000 0.00000E+00 196 bornite -85.48 -85.48 0.00 0.000 0.00000E+00 199 chalcocite -26.72 -26.72 0.00 0.000 -0.63263E-11 247 galena -11.76 -11.76 0.00 0.000 -0.63263E-11 258 sphalerite -10.25 -10.25 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 15 albite-high 0.10 -1.95 -2.06 -0.158 0.36612E+04 16 albite -0.89 -1.95 -1.06 -0.082 0.18873E+04 20 analcite 2.70 0.93 -1.77 -0.197 0.31504E+04 24 anhydrite -5.63 -10.41 -4.78 -2.389 0.85077E+04 27 phlogopite 24.99 22.23 -2.76 -0.153 0.49093E+04 32 aragonite 0.73 0.26 -0.47 -0.155 0.82942E+03 33 brucite 11.94 8.36 -3.58 -0.716 0.63779E+04 34 calcite 0.57 0.26 -0.31 -0.103 0.55006E+03 35 carnegieite-low 8.17 3.81 -4.36 -0.623 0.77603E+04 37 carpholite-Mg 7.06 3.63 -3.43 -0.229 0.61097E+04 39 celadonite 4.60 2.63 -1.97 -0.116 0.35158E+04 41 chrysotile 22.49 19.32 -3.17 -0.265 0.56530E+04 44 chloritoid-Mg 11.40 6.51 -4.90 -0.326 0.87182E+04 48 coesite -2.29 -2.88 -0.59 -0.198 0.10565E+04 55 cristobalite -2.49 -2.88 -0.39 -0.131 0.70088E+03 58 cymrite-K 1.18 -2.85 -4.03 -0.336 0.71741E+04 60 diaspore 2.25 0.51 -1.73 -0.289 0.30873E+04 61 diamond -2.89 -5.43 -2.54 -0.726 0.45228E+04 62 diopside 15.23 13.13 -2.10 -0.210 0.37460E+04 64 dolomite,ordered 0.02 -1.64 -1.66 -0.277 0.29598E+04 78 gibbsite 3.46 0.51 -2.95 -0.421 0.52521E+04 82 graphite -3.32 -5.43 -2.11 -0.602 0.37490E+04 85 halite 1.54 -2.92 -4.46 -2.231 0.79443E+04 87 heulandite -6.79 -8.61 -1.82 -0.083 0.32366E+04 91 jadeite 3.61 0.93 -2.68 -0.268 0.47783E+04 93 kalsilite 6.83 2.91 -3.91 -0.559 0.69674E+04 94 kaolinite -2.26 -4.73 -2.47 -0.225 0.44037E+04 97 laumontite 1.70 0.04 -1.66 -0.111 0.29572E+04 98 lawsonite 8.20 5.80 -2.40 -0.160 0.42807E+04 99 leucite 3.44 0.03 -3.41 -0.341 0.60752E+04 101 lizardite 21.89 19.32 -2.58 -0.215 0.45912E+04 102 magnesite 0.36 -1.91 -2.26 -0.755 0.40321E+04 116 muscovite 0.97 -1.82 -2.79 -0.164 0.49711E+04 117 paragonite 2.52 -0.92 -3.44 -0.203 0.61301E+04 118 nepheline 7.50 3.81 -3.70 -0.528 0.65801E+04 130 phlogopite-Na 27.40 23.13 -4.28 -0.238 0.76153E+04 132 prehnite 17.33 13.45 -3.88 -0.228 0.69049E+04 138 pyrite -20.82 -25.53 -4.70 -1.106 0.83715E+04 141 pyroxmangite 6.96 2.67 -4.29 -0.858 0.76367E+04 142 pyrophyllite -7.01 -10.50 -3.48 -0.218 0.62031E+04 148 rhodochrosite -1.16 -4.72 -3.55 -1.184 0.63256E+04 149 rhodonite 7.00 2.67 -4.33 -0.866 0.77113E+04 150 sanidine -1.69 -2.85 -1.16 -0.089 0.20677E+04 160 stilbite -8.09 -8.61 -0.52 -0.025 0.92701E+03 162 stilpnomelane-Mg 24.52 22.42 -2.10 -0.063 0.37453E+04 166 sulfur -9.00 -13.68 -4.67 -1.438 0.83207E+04 168 talc 15.29 13.55 -1.74 -0.102 0.30923E+04 176 tridymite -2.54 -2.88 -0.34 -0.112 0.59835E+03 177 tremolite 44.79 39.81 -4.98 -0.135 0.88688E+04 185 wairakite 2.56 0.04 -2.52 -0.148 0.44870E+04 186 walstromite 10.95 7.65 -3.30 -0.659 0.58707E+04 187 wollastonite 9.94 7.65 -2.29 -0.459 0.40834E+04 188 pseudo-wollastonite 10.45 7.65 -2.80 -0.560 0.49828E+04 191 beidellite-Ca -2.88 -7.64 -4.76 -0.294 0.84745E+04 193 beidellite-K -2.68 -7.63 -4.95 -0.303 0.88153E+04 194 beidellite-Mg -3.03 -8.00 -4.96 -0.307 0.88354E+04 195 beidellite-Na -2.53 -7.34 -4.81 -0.295 0.85659E+04 198 chalcedony -2.70 -2.88 -0.18 -0.060 0.31890E+03 200 covellite -19.18 -20.20 -1.01 -0.386 0.18048E+04 201 dawsonite 1.22 -3.58 -4.80 -0.600 0.85420E+04 202 montmorillonite-Ca -3.19 -6.17 -2.98 -0.184 0.53055E+04 203 montmorillonite-K -3.07 -6.16 -3.10 -0.190 0.55126E+04 204 montmorillonite-Mg -3.39 -6.53 -3.14 -0.194 0.55870E+04 205 montmorillonite-Na -2.89 -5.87 -2.98 -0.183 0.53071E+04 227 tobermorite 9.56 5.89 -3.67 -1.001 0.65343E+04 233 alabandite -1.21 -5.71 -4.50 -1.499 0.80066E+04 238 boehmite 3.68 0.51 -3.17 -0.528 0.56396E+04 240 chalcopyrite -27.84 -32.04 -4.21 -0.783 0.74903E+04 241 cinnabar -30.69 -35.68 -4.99 -1.662 0.88793E+04 243 copper,native -2.75 -6.52 -3.77 -1.312 0.67162E+04 244 dolomite,disordered 0.67 -1.64 -2.31 -0.385 0.41137E+04 246 fluorite -10.04 -11.87 -1.83 -0.611 0.32655E+04 255 silica-amorphous -2.04 -2.88 -0.84 -0.279 0.14917E+04 259 wurtzite -8.49 -10.25 -1.76 -0.586 0.31321E+04 261 an20ab80 1.24 -0.40 -1.64 -0.126 0.29262E+04 262 an25ab75 1.80 -0.02 -1.82 -0.140 0.32361E+04 263 an30ab70 2.37 0.37 -2.00 -0.154 0.35546E+04 Calculations done for 116.0000 Deg. C; 1.7286 bar Enthalpies: Pure water 2.1012 kcal/mole H2O,gas 11.6840 kcal/mole CO2,gas 1.0965 kcal/mole CH4,gas 1.0559 kcal/mole Current solution 77.7040 Gas 218.8266 kcal Total current enthalpy 296.5306 kcal Starting enthalpy 296.5306 kcal Temperature changed by -2.000 degrees to 114.000 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 = 8 Loop limit = 200 Temperature = 114.00 C Pressure = 1.62 bar Mixer fraction = 0.0000000 Total current enthalpy = 296.5306 KCAL Water: Moles liquid = 0.3682E+02 kg liquid = 0.6633E+00 Moles total = 0.5551E+02 kg total = 0.1000E+01 Activity = 1.0000 Stoichiometric ionic strength = .5042299E-01 Osmotic coef. = 0.9333 True ionic strength = .4990235E-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+ 0.27685E-07 -7.5578 0.21600E-07 -7.6655 0.78022E+00 -0.1078 2 H2O 0.10000E+01 -0.0000 0.10000E+01 -0.0000 3 Cl- 0.45836E-01 -1.3388 0.35345E-01 -1.4517 0.77110E+00 -0.1129 4 SO4-- 0.63739E-05 -5.1956 0.24234E-05 -5.6156 0.38021E+00 -0.4200 5 HCO3- 0.31088E-02 -2.5074 0.24051E-02 -2.6189 0.77366E+00 -0.1114 6 HS- 0.31243E-03 -3.5053 0.24099E-03 -3.6180 0.77136E+00 -0.1127 7 H4SiO4 0.12735E-02 -2.8950 0.12735E-02 -2.8950 0.10000E+01 0.0000 8 Al+++ 0.33348E-21 -21.4769 0.37602E-22 -22.4248 0.11276E+00 -0.9479 9 Ca++ 0.46868E-04 -4.3291 0.17538E-04 -4.7560 0.37420E+00 -0.4269 10 Mg++ 0.31837E-06 -6.4971 0.11793E-06 -6.9284 0.37042E+00 -0.4313 11 Fe++ 0.31890E-15 -15.4963 0.11842E-15 -15.9266 0.37132E+00 -0.4302 12 K+ 0.55944E-02 -2.2522 0.43306E-02 -2.3634 0.77410E+00 -0.1112 13 Na+ 0.44133E-01 -1.3552 0.34019E-01 -1.4683 0.77083E+00 -0.1130 14 Mn++ 0.47185E-09 -9.3262 0.17553E-09 -9.7556 0.37201E+00 -0.4294 15 Zn++ 0.13131E-13 -13.8817 0.48757E-14 -14.3120 0.37132E+00 -0.4302 16 Cu+ 0.45875E-15 -15.3384 0.35358E-15 -15.4515 0.77074E+00 -0.1131 17 Pb++ 0.37217E-15 -15.4293 0.14018E-15 -15.8533 0.37666E+00 -0.4241 18 Hg++ 0.40259E-39 -39.3951 0.15117E-39 -39.8205 0.37548E+00 -0.4254 19 F- 0.36483E-03 -3.4379 0.27994E-03 -3.5529 0.76732E+00 -0.1150 21 HSiO3- 0.81404E-04 -4.0894 0.62771E-04 -4.2022 0.77110E+00 -0.1129 22 Ca(HSiO3)+ 0.41466E-07 -7.3823 0.32114E-07 -7.4933 0.77447E+00 -0.1110 23 Mg(HSiO3)+ 0.32716E-09 -9.4852 0.25338E-09 -9.5962 0.77447E+00 -0.1110 24 NaHSiO3,aq 0.30413E-04 -4.5169 0.30413E-04 -4.5169 0.10000E+01 0.0000 27 HAlO2,aq 0.51821E-09 -9.2855 0.51821E-09 -9.2855 0.10000E+01 0.0000 28 AlO2- 0.98869E-07 -7.0049 0.75912E-07 -7.1197 0.76781E+00 -0.1147 29 CH4,aq 0.23120E-06 -6.6360 0.22778E-06 -6.6425 0.98518E+00 -0.0065 35 CO2,aq 0.13919E-03 -3.8564 0.13712E-03 -3.8629 0.98518E+00 -0.0065 36 CO3-2 0.23434E-04 -4.6301 0.88690E-05 -5.0521 0.37846E+00 -0.4220 37 CaCO3,aq 0.28897E-05 -5.5392 0.28897E-05 -5.5392 0.10000E+01 0.0000 38 Ca(HCO3)+ 0.18167E-05 -5.7407 0.14070E-05 -5.8517 0.77447E+00 -0.1110 39 CaCl+ 0.17414E-05 -5.7591 0.13487E-05 -5.8701 0.77447E+00 -0.1110 40 CaCl2,aq 0.11544E-07 -7.9377 0.11544E-07 -7.9377 0.10000E+01 0.0000 41 CaF+ 0.12521E-06 -6.9024 0.96973E-07 -7.0133 0.77447E+00 -0.1110 42 CaOH+ 0.18197E-06 -6.7400 0.14093E-06 -6.8510 0.77447E+00 -0.1110 43 CaSO4,aq 0.17398E-07 -7.7595 0.17398E-07 -7.7595 0.10000E+01 0.0000 44 HCl,aq 0.15236E-09 -9.8171 0.15236E-09 -9.8171 0.10000E+01 0.0000 61 HF,aq 0.58118E-07 -7.2357 0.58118E-07 -7.2357 0.10000E+01 0.0000 76 H2,aq 0.20994E-06 -6.6779 0.20683E-06 -6.6844 0.98518E+00 -0.0065 90 KCl,aq 0.38921E-05 -5.4098 0.38921E-05 -5.4098 0.10000E+01 0.0000 92 KOH,aq 0.15458E-06 -6.8108 0.15458E-06 -6.8108 0.10000E+01 0.0000 93 KSO4- 0.25868E-06 -6.5872 0.19947E-06 -6.7001 0.77110E+00 -0.1129 94 MgCO3,aq 0.44590E-08 -8.3508 0.44590E-08 -8.3508 0.10000E+01 0.0000 95 Mg(HCO3)+ 0.12502E-07 -7.9030 0.96826E-08 -8.0140 0.77447E+00 -0.1110 96 MgCl+ 0.99069E-08 -8.0041 0.76726E-08 -8.1151 0.77447E+00 -0.1110 97 MgF+ 0.30116E-08 -8.5212 0.23324E-08 -8.6322 0.77447E+00 -0.1110 98 MgOH+ 0.61190E-08 -8.2133 0.47390E-08 -8.3243 0.77447E+00 -0.1110 102 MnOH+ 0.61629E-10 -10.2102 0.47730E-10 -10.3212 0.77447E+00 -0.1110 107 MnCl+ 0.76943E-10 -10.1138 0.59590E-10 -10.2248 0.77447E+00 -0.1110 109 NaCl,aq 0.47342E-03 -3.3248 0.47342E-03 -3.3248 0.10000E+01 0.0000 110 NaF,aq 0.27095E-05 -5.5671 0.27095E-05 -5.5671 0.10000E+01 0.0000 111 NaOH,aq 0.11379E-05 -5.9439 0.11379E-05 -5.9439 0.10000E+01 0.0000 113 OH- 0.54229E-04 -4.2658 0.41638E-04 -4.3805 0.76781E+00 -0.1147 124 Pb(HS)2,aq 0.44125E-10 -10.3553 0.44125E-10 -10.3553 0.10000E+01 0.0000 126 H2S,aq 0.16449E-04 -4.7839 0.16205E-04 -4.7904 0.98518E+00 -0.0065 127 S2-2 0.36667E-10 -10.4357 0.13877E-10 -10.8577 0.37846E+00 -0.4220 135 HSO4- 0.10711E-09 -9.9702 0.83127E-10 -10.0803 0.77611E+00 -0.1101 164 Cu(HS)2- 0.23191E-07 -7.6347 0.17883E-07 -7.7476 0.77110E+00 -0.1129 166 CuH4S3-b 0.21582E-08 -8.6659 0.16642E-08 -8.7788 0.77110E+00 -0.1129 179 MgSO4,aq 0.43576E-09 -9.3608 0.43576E-09 -9.3608 0.10000E+01 0.0000 182 MnCO3,aq 0.35126E-08 -8.4544 0.35126E-08 -8.4544 0.10000E+01 0.0000 183 NaCO3- 0.62744E-05 -5.2024 0.48382E-05 -5.3153 0.77110E+00 -0.1129 184 NaHCO3,aq 0.26142E-04 -4.5827 0.26142E-04 -4.5827 0.10000E+01 0.0000 185 NaHS,aq 0.26194E-05 -5.5818 0.26194E-05 -5.5818 0.10000E+01 0.0000 186 NaSO4- 0.10385E-05 -5.9836 0.80079E-06 -6.0965 0.77110E+00 -0.1129 187 PbCO3,aq 0.12867E-10 -10.8905 0.12867E-10 -10.8905 0.10000E+01 0.0000 193 Zn(HS)2,aq 0.52456E-09 -9.2802 0.52456E-09 -9.2802 0.10000E+01 0.0000 194 Zn(HS)3- 0.12489E-10 -10.9035 0.96306E-11 -11.0163 0.77110E+00 -0.1129 Charge balance for all species = 0.3621E-07 Component Molality Aq.molality ppm log[A(N)/A(H+)**Z] (total) 1 H+ 0.2768466E-07 -.4490198E-04 -.4511242E-01 0.0000 2 H2O 0.1000000E+01 0.5550806E+02 0.9967666E+06 0.0000 3 Cl- 0.4583638E-01 0.4631547E-01 0.1636722E+04 6.2139 4 SO4-- 0.6373927E-05 0.7405375E-05 0.7090760E+00 9.7155 5 HCO3- 0.3108755E-02 0.3308749E-02 0.2012390E+03 5.0467 6 HS- 0.3124251E-03 0.3318309E-03 0.1093889E+02 4.0475 7 H4SiO4 0.1273515E-02 0.1385373E-02 0.1327259E+03 -2.8950 8 Al+++ 0.3334798E-21 0.9938702E-07 0.2672956E-02 0.5718 9 Ca++ 0.4686827E-04 0.5369369E-04 0.2144990E+01 10.5751 10 Mg++ 0.3183673E-06 0.3551290E-06 0.8606028E-02 8.4027 11 Fe++ 0.3188994E-15 0.8249153E-15 0.4592035E-10 -0.5955 12 K+ 0.5594396E-02 0.5598702E-02 0.2182138E+03 5.3021 13 Na+ 0.4413263E-01 0.4467639E-01 0.1023786E+04 6.1973 14 Mn++ 0.4718492E-09 0.4131618E-08 0.2262502E-03 5.5754 15 Zn++ 0.1313065E-13 0.5416111E-09 0.3529084E-04 1.0191 16 Cu+ 0.4587491E-15 0.2534915E-07 0.1605486E-02 -7.7860 17 Pb++ 0.3721655E-15 0.5739713E-10 0.1185373E-04 -0.5222 18 Hg++ 0.4025892E-39 0.2920975E-11 0.5840272E-06 -24.4895 19 F- 0.3648325E-03 0.3677283E-03 0.6963554E+01 4.1126 Component Tot moles Aq. moles Solid moles Gas moles 1 H+ 0.1822172E+00 -.2978263E-04 -.8802824E-05 0.1822558E+00 2 H2O 0.5550825E+02 0.3681744E+02 -.1386854E-01 0.1870469E+02 3 Cl- 0.3072017E-01 0.3072017E-01 0.0000000E+00 0.7753893E-11 4 SO4-- -.4257700E-02 0.4911844E-05 0.1002171E-08 -.4262613E-02 5 HCO3- 0.1832100E+00 0.2194631E-02 0.0000000E+00 0.1810154E+00 6 HS- 0.9985820E-02 0.2200972E-03 0.5980682E-07 0.9765663E-02 7 H4SiO4 0.7855346E-02 0.9188914E-03 0.6936454E-02 0.0000000E+00 8 Al+++ 0.2253680E-05 0.6592152E-07 0.2187759E-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 0.0000000E+00 0.0000000E+00 11 Fe++ 0.8017372E-08 0.5471506E-15 0.8017371E-08 0.0000000E+00 12 K+ 0.3715700E-02 0.3713512E-02 0.2187759E-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 0.0000000E+00 0.0000000E+00 15 Zn++ 0.1530000E-07 0.3592404E-09 0.1494076E-07 0.0000000E+00 16 Cu+ 0.6237410E-07 0.1681361E-07 0.4556049E-07 0.0000000E+00 17 Pb++ 0.1110000E-07 0.3807043E-10 0.1106193E-07 0.0000000E+00 18 Hg++ 0.4000000E-08 0.1937427E-11 0.0000000E+00 0.3998063E-08 19 F- 0.2439100E-03 0.2439072E-03 0.0000000E+00 0.2803245E-08 Chg. balance for solid moles: -.2010E-16 Mass of aqueous solution: 0.665429E+03 g Temperature = 114.00 C Pressure = 1.62 bar Mixer frac. = 0.0000000 Log Log Vol Gas or mineral Moles Moles Grams Grams Wt.% (cm3) H2O,gas 18.88 1.276 340.0 2.531 97.68 0.3678E+06 CO2,gas 0.1775 -0.751 7.810 0.893 2.244 3562. CH4,gas 0.3545E-02 -2.450 0.5687E-01 -1.245 0.1634E-01 71.70 H2,gas 0.2870E-02 -2.542 0.5796E-02 -2.237 0.1666E-02 57.09 H2S,gas 0.5503E-02 -2.259 0.1875 -0.727 0.5389E-01 108.8 CO,gas 0.1202E-07 -7.920 0.3367E-06 -6.473 0.9675E-07 0.2389E-03 SO2,gas 0.1151E-15 -15.939 0.7374E-14 -14.132 0.2119E-14 0.2288E-11 HF,gas 0.2803E-08 -8.552 0.5606E-07 -7.251 0.1611E-07 0.5572E-04 HCl,gas 0.7754E-11 -11.110 0.2827E-09 -9.549 0.8123E-10 0.1541E-06 Hg,gas 0.3998E-08 -8.398 0.8020E-06 -6.096 0.2304E-06 0.7947E-04 microcline 0.2188E-05 -5.660 0.6089E-03 -3.215 0.1460 0.2379E-03 quartz 0.6930E-02 -2.159 0.4163 -0.381 99.85 0.1572 bornite 0.8017E-08 -8.096 0.4023E-05 -5.395 0.9649E-03 0.7915E-06 chalcocite 0.2737E-08 -8.563 0.4355E-06 -6.361 0.1045E-03 0.7524E-07 galena 0.1106E-07 -7.956 0.2647E-05 -5.577 0.6347E-03 0.3483E-06 sphalerite 0.1494E-07 -7.826 0.1456E-05 -5.837 0.3491E-03 0.3560E-06 Partial press. Fugacity coef Log fugacity Gas or Mineral Mole fraction or activity Activity coef Log activity H2O,gas 0.9901E+00 0.1603E+01 0.9805 0.196 CO2,gas 0.9309E-02 0.1507E-01 1.0091 -1.818 CH4,gas 0.1860E-03 0.3011E-03 1.0173 -3.514 H2,gas 0.1505E-03 0.2437E-03 1.0008 -3.613 H2S,gas 0.2886E-03 0.4674E-03 0.9943 -3.333 CO,gas 0.6305E-09 0.1021E-08 1.0000 -8.991 SO2,gas 0.6038E-17 0.9778E-17 1.0000 -17.010 HF,gas 0.1470E-09 0.2381E-09 1.0000 -9.623 HCl,gas 0.4067E-12 0.6586E-12 1.0000 -12.181 Hg,gas 0.2097E-09 0.3396E-09 1.0000 -9.469 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 chalcocite 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: 34.325574 % Solid products produced: Mass = 0.416965 g Volume = 0.157471 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 0.01 0.01 0.00 0.000 -0.44754E-10 2 CO2,gas -8.26 -8.26 -0.00 -0.000 0.18881E-10 3 CH4,gas 3.10 3.10 -0.00 -0.000 0.39336E-10 4 H2,gas 6.24 6.24 -0.00 -0.000 0.15734E-11 5 H2S,gas -7.74 -7.74 0.00 0.000 -0.15734E-10 6 CO,gas 1.33 1.33 -0.00 -0.000 0.15734E-11 7 SO2,gas -1.31 -1.31 0.00 0.000 -0.11801E-11 8 HF,gas -1.39 -1.39 -0.00 -0.000 0.27535E-11 9 HCl,gas 3.27 3.27 -0.00 -0.000 0.39336E-11 10 Hg,gas -12.40 -12.40 0.00 0.000 0.00000E+00 112 microcline -2.81 -2.81 -0.00 -0.000 0.31469E-11 143 quartz -2.89 -2.89 0.00 0.000 0.00000E+00 196 bornite -85.87 -85.87 -0.00 -0.000 0.25175E-10 199 chalcocite -26.86 -26.86 0.00 0.000 0.00000E+00 247 galena -11.81 -11.81 0.00 0.000 0.00000E+00 258 sphalerite -10.26 -10.26 -0.00 -0.000 0.31469E-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 0.17 -1.92 -2.08 -0.160 0.36902E+04 16 albite -0.84 -1.92 -1.08 -0.083 0.19082E+04 20 analcite 2.77 0.98 -1.79 -0.199 0.31659E+04 24 anhydrite -5.59 -10.37 -4.78 -2.390 0.84666E+04 27 phlogopite 25.23 22.40 -2.83 -0.157 0.50128E+04 32 aragonite 0.76 0.29 -0.47 -0.155 0.82566E+03 33 brucite 12.02 8.40 -3.61 -0.723 0.64000E+04 34 calcite 0.60 0.29 -0.31 -0.103 0.54775E+03 35 carnegieite-low 8.27 3.87 -4.39 -0.627 0.77787E+04 37 carpholite-Mg 7.23 3.76 -3.48 -0.232 0.61575E+04 39 celadonite 4.69 2.70 -1.99 -0.117 0.35244E+04 41 chrysotile 22.65 19.42 -3.24 -0.270 0.57313E+04 44 chloritoid-Mg 11.61 6.65 -4.96 -0.331 0.87866E+04 48 coesite -2.30 -2.89 -0.60 -0.199 0.10557E+04 55 cristobalite -2.50 -2.89 -0.40 -0.132 0.70410E+03 58 cymrite-K 1.24 -2.81 -4.05 -0.337 0.71691E+04 60 diaspore 2.32 0.57 -1.75 -0.291 0.30983E+04 61 diamond -2.91 -5.45 -2.54 -0.726 0.44987E+04 62 diopside 15.34 13.19 -2.16 -0.216 0.38182E+04 64 dolomite,ordered 0.08 -1.59 -1.67 -0.278 0.29561E+04 78 gibbsite 3.54 0.57 -2.96 -0.423 0.52498E+04 82 graphite -3.35 -5.45 -2.10 -0.601 0.37269E+04 85 halite 1.54 -2.92 -4.46 -2.230 0.79028E+04 87 heulandite -6.69 -8.55 -1.86 -0.084 0.32924E+04 91 jadeite 3.68 0.98 -2.70 -0.270 0.47840E+04 93 kalsilite 6.91 2.98 -3.93 -0.562 0.69698E+04 94 kaolinite -2.16 -4.65 -2.49 -0.226 0.44114E+04 97 laumontite 1.83 0.14 -1.69 -0.113 0.29942E+04 98 lawsonite 8.37 5.93 -2.44 -0.162 0.43164E+04 99 leucite 3.52 0.08 -3.44 -0.344 0.60870E+04 101 lizardite 22.05 19.42 -2.63 -0.219 0.46639E+04 102 magnesite 0.39 -1.88 -2.28 -0.759 0.40318E+04 116 muscovite 1.15 -1.67 -2.82 -0.166 0.49989E+04 117 paragonite 2.71 -0.77 -3.49 -0.205 0.61749E+04 118 nepheline 7.60 3.87 -3.73 -0.532 0.65999E+04 130 phlogopite-Na 27.66 23.29 -4.37 -0.243 0.77391E+04 132 prehnite 17.56 13.61 -3.95 -0.233 0.70040E+04 138 pyrite -20.88 -25.58 -4.70 -1.107 0.83318E+04 141 pyroxmangite 7.01 2.68 -4.33 -0.866 0.76710E+04 142 pyrophyllite -6.92 -10.44 -3.52 -0.220 0.62286E+04 148 rhodochrosite -1.14 -4.71 -3.57 -1.189 0.63178E+04 149 rhodonite 7.05 2.68 -4.37 -0.875 0.77461E+04 150 sanidine -1.64 -2.81 -1.17 -0.090 0.20677E+04 160 stilbite -8.03 -8.55 -0.51 -0.024 0.91073E+03 162 stilpnomelane-Mg 24.85 22.65 -2.20 -0.066 0.39052E+04 166 sulfur -9.02 -13.70 -4.68 -1.439 0.82849E+04 168 talc 15.43 13.63 -1.80 -0.106 0.31871E+04 176 tridymite -2.56 -2.89 -0.34 -0.113 0.60017E+03 185 wairakite 2.71 0.14 -2.57 -0.151 0.45575E+04 186 walstromite 11.01 7.68 -3.33 -0.667 0.59049E+04 187 wollastonite 10.00 7.68 -2.32 -0.465 0.41172E+04 188 pseudo-wollastonite 10.51 7.68 -2.83 -0.567 0.50189E+04 191 beidellite-Ca -2.74 -7.55 -4.81 -0.297 0.85165E+04 193 beidellite-K -2.55 -7.54 -4.99 -0.306 0.88410E+04 195 beidellite-Na -2.39 -7.25 -4.85 -0.297 0.85975E+04 198 chalcedony -2.71 -2.89 -0.18 -0.060 0.31894E+03 200 covellite -19.27 -20.28 -1.01 -0.383 0.17808E+04 201 dawsonite 1.27 -3.52 -4.79 -0.598 0.84778E+04 202 montmorillonite-Ca -3.09 -6.11 -3.02 -0.187 0.53445E+04 203 montmorillonite-K -2.98 -6.10 -3.13 -0.191 0.55367E+04 204 montmorillonite-Mg -3.29 -6.47 -3.18 -0.197 0.56272E+04 205 montmorillonite-Na -2.80 -5.81 -3.01 -0.184 0.53356E+04 227 tobermorite 9.59 5.91 -3.68 -1.003 0.65142E+04 233 alabandite -1.18 -5.71 -4.53 -1.509 0.80180E+04 238 boehmite 3.77 0.57 -3.19 -0.532 0.56583E+04 240 chalcopyrite -27.93 -32.16 -4.22 -0.786 0.74838E+04 241 cinnabar -30.83 -35.77 -4.94 -1.648 0.87568E+04 243 copper,native -2.78 -6.58 -3.80 -1.321 0.67269E+04 244 dolomite,disordered 0.73 -1.59 -2.32 -0.387 0.41154E+04 246 fluorite -10.03 -11.86 -1.83 -0.612 0.32503E+04 255 silica-amorphous -2.05 -2.89 -0.84 -0.281 0.14955E+04 259 wurtzite -8.50 -10.26 -1.77 -0.589 0.31322E+04 261 an20ab80 1.33 -0.35 -1.67 -0.129 0.29647E+04 262 an25ab75 1.90 0.05 -1.85 -0.142 0.32787E+04 263 an30ab70 2.47 0.44 -2.03 -0.156 0.36014E+04 Calculations done for 114.0000 Deg. C; 1.6193 bar Enthalpies: Pure water 2.0652 kcal/mole H2O,gas 11.6711 kcal/mole CO2,gas 1.0736 kcal/mole CH4,gas 1.0335 kcal/mole Current solution 76.0365 Gas 220.4941 kcal Total current enthalpy 296.5306 kcal Starting enthalpy 296.5306 kcal Temperature changed by -2.000 degrees to 112.000 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 = 8 Loop limit = 200 Temperature = 112.00 C Pressure = 1.52 bar Mixer fraction = 0.0000000 Total current enthalpy = 296.5306 KCAL Water: Moles liquid = 0.3666E+02 kg liquid = 0.6604E+00 Moles total = 0.5551E+02 kg total = 0.1000E+01 Activity = 1.0000 Stoichiometric ionic strength = .5064215E-01 Osmotic coef. = 0.9336 True ionic strength = .5013298E-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+ 0.26440E-07 -7.5777 0.20648E-07 -7.6851 0.78096E+00 -0.1074 2 H2O 0.10000E+01 -0.0000 0.10000E+01 -0.0000 3 Cl- 0.46047E-01 -1.3368 0.35540E-01 -1.4493 0.77181E+00 -0.1125 4 SO4-- 0.67916E-05 -5.1680 0.25914E-05 -5.5865 0.38155E+00 -0.4184 5 HCO3- 0.31279E-02 -2.5047 0.24221E-02 -2.6158 0.77433E+00 -0.1111 6 HS- 0.30725E-03 -3.5125 0.23721E-03 -3.6249 0.77206E+00 -0.1123 7 H4SiO4 0.12326E-02 -2.9092 0.12326E-02 -2.9092 0.10000E+01 0.0000 8 Al+++ 0.33033E-21 -21.4811 0.37555E-22 -22.4253 0.11369E+00 -0.9443 9 Ca++ 0.47162E-04 -4.3264 0.17712E-04 -4.7517 0.37557E+00 -0.4253 10 Mg++ 0.32059E-06 -6.4940 0.11920E-06 -6.9237 0.37182E+00 -0.4297 11 Fe++ 0.28705E-15 -15.5420 0.10699E-15 -15.9707 0.37272E+00 -0.4286 12 K+ 0.56193E-02 -2.2503 0.43536E-02 -2.3612 0.77475E+00 -0.1108 13 Na+ 0.44336E-01 -1.3532 0.34206E-01 -1.4659 0.77152E+00 -0.1127 14 Mn++ 0.45329E-09 -9.3436 0.16926E-09 -9.7715 0.37339E+00 -0.4278 15 Zn++ 0.12273E-13 -13.9110 0.45744E-14 -14.3397 0.37272E+00 -0.4286 16 Cu+ 0.38396E-15 -15.4157 0.29620E-15 -15.5284 0.77144E+00 -0.1127 17 Pb++ 0.32340E-15 -15.4903 0.12225E-15 -15.9128 0.37801E+00 -0.4225 18 Hg++ 0.31429E-39 -39.5027 0.11844E-39 -39.9265 0.37684E+00 -0.4238 19 F- 0.36651E-03 -3.4359 0.28152E-03 -3.5505 0.76811E+00 -0.1146 21 HSiO3- 0.80561E-04 -4.0939 0.62177E-04 -4.2064 0.77181E+00 -0.1125 22 Ca(HSiO3)+ 0.40047E-07 -7.3974 0.31041E-07 -7.5081 0.77512E+00 -0.1106 23 Mg(HSiO3)+ 0.31887E-09 -9.4964 0.24716E-09 -9.6070 0.77512E+00 -0.1106 24 NaHSiO3,aq 0.30861E-04 -4.5106 0.30861E-04 -4.5106 0.10000E+01 0.0000 27 HAlO2,aq 0.47656E-09 -9.3219 0.47656E-09 -9.3219 0.10000E+01 0.0000 28 AlO2- 0.90281E-07 -7.0444 0.69389E-07 -7.1587 0.76859E+00 -0.1143 29 CH4,aq 0.21455E-06 -6.6685 0.21137E-06 -6.6750 0.98517E+00 -0.0065 35 CO2,aq 0.13075E-03 -3.8836 0.12881E-03 -3.8901 0.98517E+00 -0.0065 36 CO3-2 0.24771E-04 -4.6060 0.94086E-05 -5.0265 0.37982E+00 -0.4204 37 CaCO3,aq 0.29353E-05 -5.5324 0.29353E-05 -5.5324 0.10000E+01 0.0000 38 Ca(HCO3)+ 0.17778E-05 -5.7501 0.13780E-05 -5.8607 0.77512E+00 -0.1106 39 CaCl+ 0.16954E-05 -5.7707 0.13141E-05 -5.8814 0.77512E+00 -0.1106 40 CaCl2,aq 0.11294E-07 -7.9472 0.11294E-07 -7.9472 0.10000E+01 0.0000 41 CaF+ 0.12183E-06 -6.9143 0.94429E-07 -7.0249 0.77512E+00 -0.1106 42 CaOH+ 0.17019E-06 -6.7691 0.13192E-06 -6.8797 0.77512E+00 -0.1106 43 CaSO4,aq 0.18154E-07 -7.7410 0.18154E-07 -7.7410 0.10000E+01 0.0000 44 HCl,aq 0.14386E-09 -9.8421 0.14386E-09 -9.8421 0.10000E+01 0.0000 61 HF,aq 0.53433E-07 -7.2722 0.53433E-07 -7.2722 0.10000E+01 0.0000 76 H2,aq 0.18815E-06 -6.7255 0.18536E-06 -6.7320 0.98517E+00 -0.0065 90 KCl,aq 0.37637E-05 -5.4244 0.37637E-05 -5.4244 0.10000E+01 0.0000 92 KOH,aq 0.14963E-06 -6.8250 0.14963E-06 -6.8250 0.10000E+01 0.0000 93 KSO4- 0.27003E-06 -6.5686 0.20841E-06 -6.6811 0.77181E+00 -0.1125 94 MgCO3,aq 0.45928E-08 -8.3379 0.45928E-08 -8.3379 0.10000E+01 0.0000 95 Mg(HCO3)+ 0.12247E-07 -7.9120 0.94932E-08 -8.0226 0.77512E+00 -0.1106 96 MgCl+ 0.97495E-08 -8.0110 0.75571E-08 -8.1216 0.77512E+00 -0.1106 97 MgF+ 0.29461E-08 -8.5308 0.22836E-08 -8.6414 0.77512E+00 -0.1106 98 MgOH+ 0.58048E-08 -8.2362 0.44994E-08 -8.3468 0.77512E+00 -0.1106 102 MnOH+ 0.56549E-10 -10.2476 0.43832E-10 -10.3582 0.77512E+00 -0.1106 107 MnCl+ 0.70102E-10 -10.1543 0.54337E-10 -10.2649 0.77512E+00 -0.1106 109 NaCl,aq 0.46783E-03 -3.3299 0.46783E-03 -3.3299 0.10000E+01 0.0000 110 NaF,aq 0.26705E-05 -5.5734 0.26705E-05 -5.5734 0.10000E+01 0.0000 111 NaOH,aq 0.11118E-05 -5.9540 0.11118E-05 -5.9540 0.10000E+01 0.0000 113 OH- 0.53132E-04 -4.2746 0.40837E-04 -4.3889 0.76859E+00 -0.1143 124 Pb(HS)2,aq 0.39200E-10 -10.4067 0.39200E-10 -10.4067 0.10000E+01 0.0000 126 H2S,aq 0.15477E-04 -4.8103 0.15247E-04 -4.8168 0.98517E+00 -0.0065 127 S2-2 0.35346E-10 -10.4517 0.13425E-10 -10.8721 0.37982E+00 -0.4204 135 HSO4- 0.10237E-09 -9.9898 0.79519E-10 -10.0995 0.77675E+00 -0.1097 164 Cu(HS)2- 0.21810E-07 -7.6613 0.16833E-07 -7.7738 0.77181E+00 -0.1125 166 CuH4S3-b 0.21965E-08 -8.6583 0.16953E-08 -8.7708 0.77181E+00 -0.1125 179 MgSO4,aq 0.45228E-09 -9.3446 0.45228E-09 -9.3446 0.10000E+01 0.0000 182 MnCO3,aq 0.35623E-08 -8.4483 0.35623E-08 -8.4483 0.10000E+01 0.0000 183 NaCO3- 0.65693E-05 -5.1825 0.50703E-05 -5.2950 0.77181E+00 -0.1125 184 NaHCO3,aq 0.25859E-04 -4.5874 0.25859E-04 -4.5874 0.10000E+01 0.0000 185 NaHS,aq 0.25326E-05 -5.5964 0.25326E-05 -5.5964 0.10000E+01 0.0000 186 NaSO4- 0.10980E-05 -5.9594 0.84742E-06 -6.0719 0.77181E+00 -0.1125 187 PbCO3,aq 0.11590E-10 -10.9359 0.11590E-10 -10.9359 0.10000E+01 0.0000 193 Zn(HS)2,aq 0.48020E-09 -9.3186 0.48020E-09 -9.3186 0.10000E+01 0.0000 194 Zn(HS)3- 0.11289E-10 -10.9474 0.87126E-11 -11.0599 0.77181E+00 -0.1125 Charge balance for all species = 0.3638E-07 Component Molality Aq.molality ppm log[A(N)/A(H+)**Z] (total) 1 H+ 0.2643983E-07 -.5441843E-04 -.5467295E-01 0.0000 2 H2O 0.1000000E+01 0.5550806E+02 0.9967572E+06 0.0000 3 Cl- 0.4604735E-01 0.4652068E-01 0.1643958E+04 6.2358 4 SO4-- 0.6791639E-05 0.7916761E-05 0.7580349E+00 9.7838 5 HCO3- 0.3127935E-02 0.3320830E-02 0.2019718E+03 5.0693 6 HS- 0.3072454E-03 0.3255675E-03 0.1073231E+02 4.0602 7 H4SiO4 0.1232558E-02 0.1344020E-02 0.1287628E+03 -2.9092 8 Al+++ 0.3303305E-21 0.9075734E-07 0.2440842E-02 0.6300 9 Ca++ 0.4716157E-04 0.5393159E-04 0.2154473E+01 10.6185 10 Mg++ 0.3205906E-06 0.3567024E-06 0.8644076E-02 8.4465 11 Fe++ 0.2870537E-15 0.7233031E-15 0.4026354E-10 -0.6004 12 K+ 0.5619315E-02 0.5623499E-02 0.2191782E+03 5.3240 13 Na+ 0.4433581E-01 0.4487434E-01 0.1028312E+04 6.2192 14 Mn++ 0.4532914E-09 0.4149924E-08 0.2272505E-03 5.5988 15 Zn++ 0.1227309E-13 0.4954638E-09 0.3228362E-04 1.0306 16 Cu+ 0.3839563E-15 0.2400651E-07 0.1520435E-02 -7.8433 17 Pb++ 0.3233963E-15 0.5114001E-10 0.1056140E-04 -0.5425 18 Hg++ 0.3142904E-39 0.2832301E-11 0.5662922E-06 -24.5563 19 F- 0.3665093E-03 0.3693580E-03 0.6994347E+01 4.1346 Component Tot moles Aq. moles Solid moles Gas moles 1 H+ 0.1822172E+00 -.3593549E-04 -.8827298E-05 0.1822620E+00 2 H2O 0.5550825E+02 0.3665503E+02 -.1393125E-01 0.1886715E+02 3 Cl- 0.3072017E-01 0.3072017E-01 0.0000000E+00 0.6975887E-11 4 SO4-- -.4257700E-02 0.5227874E-05 0.1002171E-08 -.4262929E-02 5 HCO3- 0.1832100E+00 0.2192927E-02 0.0000000E+00 0.1810171E+00 6 HS- 0.9985820E-02 0.2149902E-03 0.6032357E-07 0.9770769E-02 7 H4SiO4 0.7855346E-02 0.8875303E-03 0.6967815E-02 0.0000000E+00 8 Al+++ 0.2253680E-05 0.5993208E-07 0.2193748E-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 0.0000000E+00 0.0000000E+00 11 Fe++ 0.8017372E-08 0.4776369E-15 0.8017372E-08 0.0000000E+00 12 K+ 0.3715700E-02 0.3713506E-02 0.2193748E-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 0.0000000E+00 0.0000000E+00 15 Zn++ 0.1530000E-07 0.3271820E-09 0.1497282E-07 0.0000000E+00 16 Cu+ 0.6237410E-07 0.1585282E-07 0.4652128E-07 0.0000000E+00 17 Pb++ 0.1110000E-07 0.3377057E-10 0.1106623E-07 0.0000000E+00 18 Hg++ 0.4000000E-08 0.1870325E-11 0.0000000E+00 0.3998130E-08 19 F- 0.2439100E-03 0.2439074E-03 0.0000000E+00 0.2579934E-08 Chg. balance for solid moles: -.1268E-16 Mass of aqueous solution: 0.662500E+03 g Temperature = 112.00 C Pressure = 1.52 bar Mixer frac. = 0.0000000 Log Log Vol Gas or mineral Moles Moles Grams Grams Wt.% (cm3) H2O,gas 19.04 1.280 342.9 2.535 97.70 0.3946E+06 CO2,gas 0.1775 -0.751 7.810 0.893 2.225 3784. CH4,gas 0.3563E-02 -2.448 0.5716E-01 -1.243 0.1629E-01 76.53 H2,gas 0.2799E-02 -2.553 0.5653E-02 -2.248 0.1611E-02 59.18 H2S,gas 0.5508E-02 -2.259 0.1877 -0.727 0.5349E-01 115.7 CO,gas 0.1087E-07 -7.964 0.3044E-06 -6.517 0.8674E-07 0.2296E-03 SO2,gas 0.9729E-16 -16.012 0.6232E-14 -14.205 0.1776E-14 0.2055E-11 HF,gas 0.2580E-08 -8.588 0.5160E-07 -7.287 0.1470E-07 0.5451E-04 HCl,gas 0.6976E-11 -11.156 0.2543E-09 -9.595 0.7247E-10 0.1474E-06 Hg,gas 0.3998E-08 -8.398 0.8020E-06 -6.096 0.2285E-06 0.8447E-04 microcline 0.2194E-05 -5.659 0.6106E-03 -3.214 0.1458 0.2385E-03 quartz 0.6961E-02 -2.157 0.4182 -0.379 99.85 0.1579 bornite 0.8017E-08 -8.096 0.4023E-05 -5.395 0.9605E-03 0.7915E-06 chalcocite 0.3217E-08 -8.493 0.5120E-06 -6.291 0.1222E-03 0.8844E-07 galena 0.1107E-07 -7.956 0.2648E-05 -5.577 0.6321E-03 0.3485E-06 sphalerite 0.1497E-07 -7.825 0.1459E-05 -5.836 0.3483E-03 0.3568E-06 Partial press. Fugacity coef Log fugacity Gas or Mineral Mole fraction or activity Activity coef Log activity H2O,gas 0.9902E+00 0.1501E+01 0.9814 0.168 CO2,gas 0.9229E-02 0.1399E-01 1.0088 -1.850 CH4,gas 0.1853E-03 0.2809E-03 1.0165 -3.544 H2,gas 0.1456E-03 0.2206E-03 1.0008 -3.656 H2S,gas 0.2865E-03 0.4342E-03 0.9946 -3.365 CO,gas 0.5652E-09 0.8567E-09 1.0000 -9.067 SO2,gas 0.5060E-17 0.7669E-17 1.0000 -17.115 HF,gas 0.1342E-09 0.2034E-09 1.0000 -9.692 HCl,gas 0.3628E-12 0.5499E-12 1.0000 -12.260 Hg,gas 0.2079E-09 0.3152E-09 1.0000 -9.501 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 chalcocite 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: 34.614229 % Solid products produced: Mass = 0.418850 g Volume = 0.158182 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 0.01 0.01 0.00 0.000 -0.35907E-10 2 CO2,gas -8.27 -8.27 -0.00 -0.000 0.18784E-10 3 CH4,gas 3.07 3.07 -0.00 -0.000 0.32089E-10 4 H2,gas 6.25 6.25 -0.00 -0.000 0.15653E-11 5 H2S,gas -7.76 -7.76 0.00 0.000 -0.14088E-10 6 CO,gas 1.36 1.36 0.00 0.000 -0.35219E-11 7 SO2,gas -1.25 -1.25 0.00 0.000 -0.86092E-11 8 HF,gas -1.36 -1.36 0.00 0.000 0.00000E+00 9 HCl,gas 3.31 3.31 0.00 0.000 0.00000E+00 10 Hg,gas -12.46 -12.46 -0.00 -0.000 0.62612E-11 112 microcline -2.77 -2.77 0.00 0.000 0.00000E+00 143 quartz -2.91 -2.91 0.00 0.000 0.00000E+00 196 bornite -86.26 -86.26 0.00 0.000 0.00000E+00 199 chalcocite -27.00 -27.00 0.00 0.000 -0.62612E-11 247 galena -11.85 -11.85 0.00 0.000 -0.31306E-11 258 sphalerite -10.28 -10.28 0.00 0.000 -0.31306E-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 0.23 -1.88 -2.11 -0.162 0.37193E+04 16 albite -0.78 -1.88 -1.09 -0.084 0.19292E+04 20 analcite 2.84 1.03 -1.81 -0.201 0.31817E+04 24 anhydrite -5.56 -10.34 -4.78 -2.390 0.84253E+04 27 phlogopite 25.47 22.57 -2.90 -0.161 0.51163E+04 32 aragonite 0.78 0.32 -0.47 -0.155 0.82161E+03 33 brucite 12.09 8.45 -3.64 -0.729 0.64221E+04 34 calcite 0.63 0.32 -0.31 -0.103 0.54513E+03 35 carnegieite-low 8.36 3.94 -4.42 -0.632 0.77972E+04 37 carpholite-Mg 7.41 3.89 -3.52 -0.235 0.62057E+04 39 celadonite 4.77 2.76 -2.00 -0.118 0.35330E+04 41 chrysotile 22.82 19.52 -3.30 -0.275 0.58097E+04 48 coesite -2.31 -2.91 -0.60 -0.200 0.10548E+04 55 cristobalite -2.51 -2.91 -0.40 -0.134 0.70734E+03 58 cymrite-K 1.29 -2.77 -4.07 -0.339 0.71642E+04 60 diaspore 2.39 0.63 -1.76 -0.294 0.31094E+04 61 diamond -2.94 -5.48 -2.54 -0.725 0.44744E+04 62 diopside 15.45 13.25 -2.21 -0.221 0.38902E+04 64 dolomite,ordered 0.14 -1.54 -1.67 -0.279 0.29520E+04 78 gibbsite 3.61 0.63 -2.98 -0.425 0.52478E+04 82 graphite -3.38 -5.48 -2.10 -0.601 0.37046E+04 85 halite 1.55 -2.92 -4.46 -2.230 0.78611E+04 87 heulandite -6.59 -8.49 -1.90 -0.086 0.33486E+04 91 jadeite 3.75 1.03 -2.72 -0.272 0.47899E+04 93 kalsilite 7.00 3.04 -3.96 -0.565 0.69722E+04 94 kaolinite -2.05 -4.56 -2.51 -0.228 0.44196E+04 97 laumontite 1.96 0.24 -1.72 -0.115 0.30315E+04 98 lawsonite 8.53 6.06 -2.47 -0.165 0.43522E+04 99 leucite 3.60 0.14 -3.46 -0.346 0.60988E+04 101 lizardite 22.21 19.52 -2.69 -0.224 0.47367E+04 102 magnesite 0.43 -1.85 -2.29 -0.762 0.40313E+04 116 muscovite 1.34 -1.51 -2.85 -0.168 0.50270E+04 117 paragonite 2.91 -0.62 -3.53 -0.208 0.62200E+04 118 nepheline 7.70 3.94 -3.76 -0.537 0.66199E+04 130 phlogopite-Na 27.92 23.46 -4.46 -0.248 0.78631E+04 132 prehnite 17.80 13.77 -4.03 -0.237 0.71031E+04 138 pyrite -20.93 -25.63 -4.70 -1.107 0.82911E+04 141 pyroxmangite 7.06 2.69 -4.37 -0.874 0.77057E+04 142 pyrophyllite -6.83 -10.38 -3.55 -0.222 0.62544E+04 148 rhodochrosite -1.12 -4.70 -3.58 -1.194 0.63103E+04 149 rhodonite 7.10 2.69 -4.42 -0.883 0.77812E+04 150 sanidine -1.60 -2.77 -1.17 -0.090 0.20678E+04 160 stilbite -7.98 -8.49 -0.51 -0.024 0.89492E+03 162 stilpnomelane-Mg 25.19 22.88 -2.31 -0.069 0.40654E+04 166 sulfur -9.04 -13.72 -4.68 -1.440 0.82490E+04 168 talc 15.56 13.70 -1.86 -0.110 0.32819E+04 176 tridymite -2.57 -2.91 -0.34 -0.114 0.60199E+03 185 wairakite 2.87 0.24 -2.63 -0.154 0.46283E+04 186 walstromite 11.08 7.71 -3.37 -0.674 0.59390E+04 187 wollastonite 10.06 7.71 -2.36 -0.471 0.41508E+04 188 pseudo-wollastonite 10.58 7.71 -2.87 -0.574 0.50549E+04 191 beidellite-Ca -2.60 -7.46 -4.86 -0.300 0.85589E+04 195 beidellite-Na -2.26 -7.16 -4.90 -0.300 0.86295E+04 198 chalcedony -2.73 -2.91 -0.18 -0.060 0.31897E+03 200 covellite -19.36 -20.36 -1.00 -0.380 0.17568E+04 201 dawsonite 1.32 -3.45 -4.77 -0.597 0.84140E+04 202 montmorillonite-Ca -2.99 -6.05 -3.05 -0.189 0.53838E+04 203 montmorillonite-K -2.89 -6.04 -3.16 -0.193 0.55610E+04 204 montmorillonite-Mg -3.19 -6.40 -3.22 -0.199 0.56675E+04 205 montmorillonite-Na -2.70 -5.74 -3.04 -0.186 0.53644E+04 227 tobermorite 9.62 5.94 -3.68 -1.005 0.64940E+04 233 alabandite -1.16 -5.71 -4.56 -1.519 0.80295E+04 238 boehmite 3.85 0.63 -3.22 -0.537 0.56772E+04 240 chalcopyrite -28.03 -32.27 -4.24 -0.789 0.74766E+04 241 cinnabar -30.97 -35.87 -4.90 -1.633 0.86348E+04 243 copper,native -2.81 -6.64 -3.82 -1.330 0.67380E+04 244 dolomite,disordered 0.80 -1.54 -2.34 -0.389 0.41167E+04 246 fluorite -10.02 -11.85 -1.84 -0.612 0.32346E+04 255 silica-amorphous -2.06 -2.91 -0.85 -0.284 0.14994E+04 259 wurtzite -8.50 -10.28 -1.78 -0.592 0.31323E+04 261 an20ab80 1.41 -0.29 -1.70 -0.131 0.30033E+04 262 an25ab75 1.99 0.11 -1.88 -0.145 0.33215E+04 263 an30ab70 2.57 0.50 -2.07 -0.159 0.36484E+04 Calculations done for 112.0000 Deg. C; 1.5156 bar Enthalpies: Pure water 2.0295 kcal/mole H2O,gas 11.6580 kcal/mole CO2,gas 1.0510 kcal/mole CH4,gas 1.0112 kcal/mole Current solution 74.3919 Gas 222.1387 kcal Total current enthalpy 296.5306 kcal Starting enthalpy 296.5306 kcal Temperature changed by -2.000 degrees to 110.000 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 = 8 Loop limit = 200 Temperature = 110.00 C Pressure = 1.42 bar Mixer fraction = 0.0000000 Total current enthalpy = 296.5306 KCAL Water: Moles liquid = 0.3649E+02 kg liquid = 0.6575E+00 Moles total = 0.5551E+02 kg total = 0.1000E+01 Activity = 1.0000 Stoichiometric ionic strength = .5086152E-01 Osmotic coef. = 0.9339 True ionic strength = .5036351E-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+ 0.25232E-07 -7.5980 0.19724E-07 -7.7050 0.78170E+00 -0.1070 2 H2O 0.10000E+01 -0.0000 0.10000E+01 -0.0000 3 Cl- 0.46258E-01 -1.3348 0.35735E-01 -1.4469 0.77251E+00 -0.1121 4 SO4-- 0.72364E-05 -5.1405 0.27708E-05 -5.5574 0.38289E+00 -0.4169 5 HCO3- 0.31470E-02 -2.5021 0.24389E-02 -2.6128 0.77499E+00 -0.1107 6 HS- 0.30203E-03 -3.5199 0.23340E-03 -3.6319 0.77276E+00 -0.1120 7 H4SiO4 0.11924E-02 -2.9236 0.11924E-02 -2.9236 0.10000E+01 0.0000 8 Al+++ 0.32690E-21 -21.4856 0.37471E-22 -22.4263 0.11462E+00 -0.9407 9 Ca++ 0.47451E-04 -4.3238 0.17885E-04 -4.7475 0.37693E+00 -0.4237 10 Mg++ 0.32278E-06 -6.4911 0.12047E-06 -6.9191 0.37321E+00 -0.4280 11 Fe++ 0.25821E-15 -15.5880 0.96598E-16 -16.0150 0.37410E+00 -0.4270 12 K+ 0.56442E-02 -2.2484 0.43765E-02 -2.3589 0.77540E+00 -0.1105 13 Na+ 0.44539E-01 -1.3513 0.34393E-01 -1.4635 0.77221E+00 -0.1123 14 Mn++ 0.43495E-09 -9.3616 0.16301E-09 -9.7878 0.37477E+00 -0.4262 15 Zn++ 0.11456E-13 -13.9410 0.42857E-14 -14.3680 0.37410E+00 -0.4270 16 Cu+ 0.32057E-15 -15.4941 0.24752E-15 -15.6064 0.77212E+00 -0.1123 17 Pb++ 0.28038E-15 -15.5523 0.10636E-15 -15.9732 0.37935E+00 -0.4210 18 Hg++ 0.24437E-39 -39.6120 0.92418E-40 -40.0342 0.37819E+00 -0.4223 19 F- 0.36818E-03 -3.4339 0.28310E-03 -3.5481 0.76890E+00 -0.1141 21 HSiO3- 0.79679E-04 -4.0987 0.61552E-04 -4.2108 0.77251E+00 -0.1121 22 Ca(HSiO3)+ 0.38663E-07 -7.4127 0.29993E-07 -7.5230 0.77576E+00 -0.1103 23 Mg(HSiO3)+ 0.31067E-09 -9.5077 0.24101E-09 -9.6180 0.77576E+00 -0.1103 24 NaHSiO3,aq 0.31315E-04 -4.5042 0.31315E-04 -4.5042 0.10000E+01 0.0000 27 HAlO2,aq 0.43747E-09 -9.3591 0.43747E-09 -9.3591 0.10000E+01 0.0000 28 AlO2- 0.82327E-07 -7.0845 0.63339E-07 -7.1983 0.76936E+00 -0.1139 29 CH4,aq 0.19906E-06 -6.7010 0.19610E-06 -6.7075 0.98515E+00 -0.0065 35 CO2,aq 0.12281E-03 -3.9108 0.12099E-03 -3.9173 0.98515E+00 -0.0065 36 CO3-2 0.26184E-04 -4.5820 0.99805E-05 -5.0008 0.38117E+00 -0.4189 37 CaCO3,aq 0.29816E-05 -5.5256 0.29816E-05 -5.5256 0.10000E+01 0.0000 38 Ca(HCO3)+ 0.17402E-05 -5.7594 0.13500E-05 -5.8697 0.77576E+00 -0.1103 39 CaCl+ 0.16508E-05 -5.7823 0.12806E-05 -5.8926 0.77576E+00 -0.1103 40 CaCl2,aq 0.11057E-07 -7.9564 0.11057E-07 -7.9564 0.10000E+01 0.0000 41 CaF+ 0.11855E-06 -6.9261 0.91967E-07 -7.0364 0.77576E+00 -0.1103 42 CaOH+ 0.15904E-06 -6.7985 0.12337E-06 -6.9088 0.77576E+00 -0.1103 43 CaSO4,aq 0.18945E-07 -7.7225 0.18945E-07 -7.7225 0.10000E+01 0.0000 44 HCl,aq 0.13582E-09 -9.8670 0.13582E-09 -9.8670 0.10000E+01 0.0000 61 HF,aq 0.49092E-07 -7.3090 0.49092E-07 -7.3090 0.10000E+01 0.0000 76 H2,aq 0.16847E-06 -6.7735 0.16597E-06 -6.7800 0.98515E+00 -0.0065 90 KCl,aq 0.36386E-05 -5.4391 0.36386E-05 -5.4391 0.10000E+01 0.0000 92 KOH,aq 0.14473E-06 -6.8394 0.14473E-06 -6.8394 0.10000E+01 0.0000 93 KSO4- 0.28193E-06 -6.5499 0.21780E-06 -6.6619 0.77251E+00 -0.1121 94 MgCO3,aq 0.47309E-08 -8.3251 0.47309E-08 -8.3251 0.10000E+01 0.0000 95 Mg(HCO3)+ 0.12000E-07 -7.9208 0.93088E-08 -8.0311 0.77576E+00 -0.1103 96 MgCl+ 0.95964E-08 -8.0179 0.74445E-08 -8.1282 0.77576E+00 -0.1103 97 MgF+ 0.28827E-08 -8.5402 0.22363E-08 -8.6505 0.77576E+00 -0.1103 98 MgOH+ 0.55038E-08 -8.2593 0.42696E-08 -8.3696 0.77576E+00 -0.1103 102 MnOH+ 0.51804E-10 -10.2856 0.40188E-10 -10.3959 0.77576E+00 -0.1103 107 MnCl+ 0.63798E-10 -10.1952 0.49492E-10 -10.3055 0.77576E+00 -0.1103 109 NaCl,aq 0.46234E-03 -3.3350 0.46234E-03 -3.3350 0.10000E+01 0.0000 110 NaF,aq 0.26320E-05 -5.5797 0.26320E-05 -5.5797 0.10000E+01 0.0000 111 NaOH,aq 0.10857E-05 -5.9643 0.10857E-05 -5.9643 0.10000E+01 0.0000 113 OH- 0.52023E-04 -4.2838 0.40024E-04 -4.3977 0.76936E+00 -0.1139 124 Pb(HS)2,aq 0.34786E-10 -10.4586 0.34786E-10 -10.4586 0.10000E+01 0.0000 126 H2S,aq 0.14559E-04 -4.8369 0.14343E-04 -4.8434 0.98515E+00 -0.0065 127 S2-2 0.34051E-10 -10.4679 0.12979E-10 -10.8868 0.38117E+00 -0.4189 135 HSO4- 0.97777E-10 -10.0098 0.76011E-10 -10.1191 0.77739E+00 -0.1094 164 Cu(HS)2- 0.20488E-07 -7.6885 0.15827E-07 -7.8006 0.77251E+00 -0.1121 166 CuH4S3-b 0.22335E-08 -8.6510 0.17254E-08 -8.7631 0.77251E+00 -0.1121 179 MgSO4,aq 0.46932E-09 -9.3285 0.46932E-09 -9.3285 0.10000E+01 0.0000 182 MnCO3,aq 0.36108E-08 -8.4424 0.36108E-08 -8.4424 0.10000E+01 0.0000 183 NaCO3- 0.68796E-05 -5.1624 0.53145E-05 -5.2745 0.77251E+00 -0.1121 184 NaHCO3,aq 0.25566E-04 -4.5923 0.25566E-04 -4.5923 0.10000E+01 0.0000 185 NaHS,aq 0.24466E-05 -5.6114 0.24466E-05 -5.6114 0.10000E+01 0.0000 186 NaSO4- 0.11608E-05 -5.9352 0.89676E-06 -6.0473 0.77251E+00 -0.1121 187 PbCO3,aq 0.10427E-10 -10.9818 0.10427E-10 -10.9818 0.10000E+01 0.0000 193 Zn(HS)2,aq 0.43915E-09 -9.3574 0.43915E-09 -9.3574 0.10000E+01 0.0000 194 Zn(HS)3- 0.10195E-10 -10.9916 0.78759E-11 -11.1037 0.77251E+00 -0.1121 Charge balance for all species = 0.3654E-07 Component Molality Aq.molality ppm log[A(N)/A(H+)**Z] (total) 1 H+ 0.2523221E-07 -.6342991E-04 -.6372596E-01 0.0000 2 H2O 0.1000000E+01 0.5550807E+02 0.9967477E+06 0.0000 3 Cl- 0.4625816E-01 0.4672582E-01 0.1651192E+04 6.2581 4 SO4-- 0.7236439E-05 0.8457563E-05 0.8098092E+00 9.8526 5 HCO3- 0.3146950E-02 0.3333332E-02 0.2027302E+03 5.0922 6 HS- 0.3020312E-03 0.3193271E-03 0.1052650E+02 4.0731 7 H4SiO4 0.1192444E-02 0.1303477E-02 0.1248774E+03 -2.9236 8 Al+++ 0.3269025E-21 0.8276439E-07 0.2225857E-02 0.6887 9 Ca++ 0.4745054E-04 0.5416941E-04 0.2163953E+01 10.6625 10 Mg++ 0.3227820E-06 0.3582754E-06 0.8682111E-02 8.4909 11 Fe++ 0.2582138E-15 0.6340948E-15 0.3529731E-10 -0.6050 12 K+ 0.5644223E-02 0.5648289E-02 0.2201423E+03 5.3461 13 Na+ 0.4453880E-01 0.4507223E-01 0.1032837E+04 6.2415 14 Mn++ 0.4349506E-09 0.4168224E-08 0.2282504E-03 5.6222 15 Zn++ 0.1145597E-13 0.4527932E-09 0.2950299E-04 1.0420 16 Cu+ 0.3205708E-15 0.2272149E-07 0.1439036E-02 -7.9014 17 Pb++ 0.2803766E-15 0.4551492E-10 0.9399618E-05 -0.5632 18 Hg++ 0.2443686E-39 0.2747100E-11 0.5492516E-06 -24.6242 19 F- 0.3681845E-03 0.3709871E-03 0.7025129E+01 4.1569 Component Tot moles Aq. moles Solid moles Gas moles 1 H+ 0.1822172E+00 -.4170237E-04 -.8849861E-05 0.1822678E+00 2 H2O 0.5550825E+02 0.3649411E+02 -.1399234E-01 0.1902814E+02 3 Cl- 0.3072017E-01 0.3072017E-01 0.0000000E+00 0.6268981E-11 4 SO4-- -.4257700E-02 0.5560475E-05 0.1002171E-08 -.4263261E-02 5 HCO3- 0.1832100E+00 0.2191519E-02 0.0000000E+00 0.1810185E+00 6 HS- 0.9985820E-02 0.2099435E-03 0.6081413E-07 0.9775815E-02 7 H4SiO4 0.7855346E-02 0.8569785E-03 0.6998367E-02 0.0000000E+00 8 Al+++ 0.2253680E-05 0.5441394E-07 0.2199266E-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 0.0000000E+00 0.0000000E+00 11 Fe++ 0.8017372E-08 0.4168893E-15 0.8017372E-08 0.0000000E+00 12 K+ 0.3715700E-02 0.3713501E-02 0.2199266E-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 0.0000000E+00 0.0000000E+00 15 Zn++ 0.1530000E-07 0.2976915E-09 0.1500231E-07 0.0000000E+00 16 Cu+ 0.6237410E-07 0.1493837E-07 0.4743573E-07 0.0000000E+00 17 Pb++ 0.1110000E-07 0.2992405E-10 0.1107008E-07 0.0000000E+00 18 Hg++ 0.4000000E-08 0.1806097E-11 0.0000000E+00 0.3998194E-08 19 F- 0.2439100E-03 0.2439076E-03 0.0000000E+00 0.2372267E-08 Chg. balance for solid moles: 0.3876E-16 Mass of aqueous solution: 0.659597E+03 g Temperature = 110.00 C Pressure = 1.42 bar Mixer frac. = 0.0000000 Log Log Vol Gas or mineral Moles Moles Grams Grams Wt.% (cm3) H2O,gas 19.20 1.283 345.8 2.539 97.72 0.4238E+06 CO2,gas 0.1774 -0.751 7.809 0.893 2.207 4023. CH4,gas 0.3581E-02 -2.446 0.5744E-01 -1.241 0.1623E-01 81.76 H2,gas 0.2728E-02 -2.564 0.5511E-02 -2.259 0.1557E-02 61.36 H2S,gas 0.5513E-02 -2.259 0.1879 -0.726 0.5309E-01 123.3 CO,gas 0.9816E-08 -8.008 0.2749E-06 -6.561 0.7770E-07 0.2206E-03 SO2,gas 0.8205E-16 -16.086 0.5256E-14 -14.279 0.1485E-14 0.1844E-11 HF,gas 0.2372E-08 -8.625 0.4745E-07 -7.324 0.1341E-07 0.5332E-04 HCl,gas 0.6269E-11 -11.203 0.2286E-09 -9.641 0.6460E-10 0.1409E-06 Hg,gas 0.3998E-08 -8.398 0.8020E-06 -6.096 0.2267E-06 0.8986E-04 microcline 0.2199E-05 -5.658 0.6121E-03 -3.213 0.1455 0.2391E-03 quartz 0.6992E-02 -2.155 0.4201 -0.377 99.85 0.1586 bornite 0.8017E-08 -8.096 0.4023E-05 -5.395 0.9563E-03 0.7915E-06 chalcocite 0.3674E-08 -8.435 0.5847E-06 -6.233 0.1390E-03 0.1010E-06 galena 0.1107E-07 -7.956 0.2649E-05 -5.577 0.6296E-03 0.3486E-06 sphalerite 0.1500E-07 -7.824 0.1462E-05 -5.835 0.3475E-03 0.3575E-06 Partial press. Fugacity coef Log fugacity Gas or Mineral Mole fraction or activity Activity coef Log activity H2O,gas 0.9902E+00 0.1403E+01 0.9823 0.139 CO2,gas 0.9152E-02 0.1297E-01 1.0084 -1.883 CH4,gas 0.1847E-03 0.2618E-03 1.0157 -3.575 H2,gas 0.1407E-03 0.1994E-03 1.0007 -3.700 H2S,gas 0.2843E-03 0.4030E-03 0.9949 -3.397 CO,gas 0.5063E-09 0.7175E-09 1.0000 -9.144 SO2,gas 0.4232E-17 0.5998E-17 1.0000 -17.222 HF,gas 0.1224E-09 0.1734E-09 1.0000 -9.761 HCl,gas 0.3233E-12 0.4583E-12 1.0000 -12.339 Hg,gas 0.2062E-09 0.2923E-09 1.0000 -9.534 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 chalcocite 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: 34.900257 % Solid products produced: Mass = 0.420686 g Volume = 0.158876 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 0.01 0.01 0.00 0.000 -0.27856E-10 2 CO2,gas -8.28 -8.28 -0.00 -0.000 0.15572E-10 3 CH4,gas 3.04 3.04 -0.00 -0.000 0.24915E-10 4 H2,gas 6.26 6.26 -0.00 -0.000 0.31144E-11 5 H2S,gas -7.79 -7.79 0.00 0.000 -0.10900E-10 6 CO,gas 1.39 1.39 -0.00 -0.000 0.77859E-12 7 SO2,gas -1.19 -1.19 0.00 0.000 -0.19465E-11 8 HF,gas -1.34 -1.34 0.00 0.000 -0.38930E-12 9 HCl,gas 3.34 3.34 0.00 0.000 -0.31144E-11 10 Hg,gas -12.53 -12.53 -0.00 -0.000 0.62287E-11 112 microcline -2.74 -2.74 0.00 0.000 0.00000E+00 143 quartz -2.92 -2.92 0.00 0.000 0.00000E+00 196 bornite -86.66 -86.66 0.00 0.000 0.00000E+00 199 chalcocite -27.14 -27.14 0.00 0.000 0.00000E+00 247 galena -11.90 -11.90 0.00 0.000 0.00000E+00 258 sphalerite -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 15 albite-high 0.30 -1.84 -2.14 -0.164 0.37486E+04 16 albite -0.73 -1.84 -1.11 -0.086 0.19504E+04 20 analcite 2.91 1.08 -1.82 -0.203 0.31977E+04 24 anhydrite -5.52 -10.30 -4.78 -2.391 0.83838E+04 27 phlogopite 25.71 22.74 -2.98 -0.165 0.52198E+04 32 aragonite 0.81 0.34 -0.47 -0.155 0.81727E+03 33 brucite 12.17 8.49 -3.68 -0.735 0.64443E+04 34 calcite 0.65 0.34 -0.31 -0.103 0.54222E+03 35 carnegieite-low 8.46 4.01 -4.46 -0.637 0.78159E+04 37 carpholite-Mg 7.59 4.02 -3.57 -0.238 0.62542E+04 39 celadonite 4.85 2.83 -2.02 -0.119 0.35417E+04 41 chrysotile 22.98 19.63 -3.36 -0.280 0.58882E+04 48 coesite -2.32 -2.92 -0.60 -0.200 0.10540E+04 55 cristobalite -2.52 -2.92 -0.41 -0.135 0.71062E+03 58 cymrite-K 1.35 -2.74 -4.08 -0.340 0.71595E+04 60 diaspore 2.47 0.69 -1.78 -0.297 0.31207E+04 61 diamond -2.96 -5.50 -2.54 -0.725 0.44499E+04 62 diopside 15.57 13.31 -2.26 -0.226 0.39620E+04 64 dolomite,ordered 0.20 -1.48 -1.68 -0.280 0.29474E+04 78 gibbsite 3.68 0.69 -2.99 -0.427 0.52461E+04 82 graphite -3.40 -5.50 -2.10 -0.600 0.36821E+04 85 halite 1.55 -2.91 -4.46 -2.230 0.78192E+04 87 heulandite -6.48 -8.43 -1.94 -0.088 0.34053E+04 91 jadeite 3.82 1.08 -2.74 -0.274 0.47960E+04 93 kalsilite 7.09 3.11 -3.98 -0.568 0.69746E+04 94 kaolinite -1.94 -4.47 -2.53 -0.230 0.44281E+04 97 laumontite 2.10 0.35 -1.75 -0.117 0.30691E+04 98 lawsonite 8.70 6.19 -2.50 -0.167 0.43883E+04 99 leucite 3.67 0.19 -3.49 -0.349 0.61107E+04 101 lizardite 22.37 19.63 -2.74 -0.229 0.48096E+04 102 magnesite 0.47 -1.83 -2.30 -0.766 0.40306E+04 116 muscovite 1.52 -1.36 -2.88 -0.170 0.50552E+04 117 paragonite 3.11 -0.46 -3.57 -0.210 0.62655E+04 118 nepheline 7.79 4.01 -3.79 -0.541 0.66401E+04 130 phlogopite-Na 28.19 23.63 -4.56 -0.253 0.79872E+04 132 prehnite 18.04 13.93 -4.11 -0.242 0.72022E+04 138 pyrite -20.98 -25.69 -4.71 -1.107 0.82493E+04 141 pyroxmangite 7.11 2.70 -4.42 -0.883 0.77407E+04 142 pyrophyllite -6.73 -10.32 -3.58 -0.224 0.62804E+04 148 rhodochrosite -1.10 -4.70 -3.60 -1.198 0.63029E+04 149 rhodonite 7.16 2.70 -4.46 -0.892 0.78167E+04 150 sanidine -1.56 -2.74 -1.18 -0.091 0.20678E+04 160 stilbite -7.92 -8.43 -0.50 -0.024 0.87957E+03 162 stilpnomelane-Mg 25.53 23.12 -2.41 -0.072 0.42262E+04 166 sulfur -9.06 -13.74 -4.68 -1.441 0.82130E+04 168 talc 15.70 13.78 -1.93 -0.113 0.33767E+04 176 tridymite -2.58 -2.92 -0.34 -0.115 0.60381E+03 185 wairakite 3.03 0.35 -2.68 -0.158 0.46992E+04 186 walstromite 11.15 7.74 -3.41 -0.681 0.59730E+04 187 wollastonite 10.13 7.74 -2.39 -0.477 0.41844E+04 188 pseudo-wollastonite 10.64 7.74 -2.90 -0.581 0.50908E+04 191 beidellite-Ca -2.46 -7.37 -4.91 -0.303 0.86015E+04 195 beidellite-Na -2.12 -7.07 -4.94 -0.303 0.86617E+04 198 chalcedony -2.74 -2.92 -0.18 -0.061 0.31902E+03 200 covellite -19.45 -20.44 -0.99 -0.377 0.17330E+04 201 dawsonite 1.38 -3.39 -4.76 -0.595 0.83506E+04 202 montmorillonite-Ca -2.89 -5.98 -3.09 -0.191 0.54232E+04 203 montmorillonite-K -2.79 -5.98 -3.19 -0.195 0.55854E+04 204 montmorillonite-Mg -3.09 -6.34 -3.26 -0.201 0.57081E+04 205 montmorillonite-Na -2.61 -5.68 -3.08 -0.188 0.53933E+04 227 tobermorite 9.65 5.96 -3.69 -1.008 0.64739E+04 233 alabandite -1.13 -5.71 -4.59 -1.529 0.80413E+04 238 boehmite 3.94 0.69 -3.25 -0.541 0.56962E+04 240 chalcopyrite -28.12 -32.38 -4.26 -0.793 0.74686E+04 241 cinnabar -31.11 -35.96 -4.86 -1.619 0.85132E+04 243 copper,native -2.85 -6.70 -3.85 -1.339 0.67494E+04 244 dolomite,disordered 0.87 -1.48 -2.35 -0.391 0.41175E+04 246 fluorite -10.01 -11.84 -1.84 -0.612 0.32184E+04 255 silica-amorphous -2.07 -2.92 -0.86 -0.286 0.15034E+04 259 wurtzite -8.51 -10.29 -1.79 -0.596 0.31325E+04 261 an20ab80 1.50 -0.23 -1.74 -0.133 0.30420E+04 262 an25ab75 2.09 0.17 -1.92 -0.148 0.33644E+04 263 an30ab70 2.68 0.57 -2.11 -0.162 0.36954E+04 Calculations done for 110.0000 Deg. C; 1.4173 bar Enthalpies: Pure water 1.9940 kcal/mole H2O,gas 11.6449 kcal/mole CO2,gas 1.0284 kcal/mole CH4,gas 0.9892 kcal/mole Current solution 72.7710 Gas 223.7596 kcal Total current enthalpy 296.5306 kcal Starting enthalpy 296.5306 kcal Temperature changed by -2.000 degrees to 108.000 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 = 8 Loop limit = 200 Temperature = 108.00 C Pressure = 1.32 bar Mixer fraction = 0.0000000 Total current enthalpy = 296.5306 KCAL Water: Moles liquid = 0.3633E+02 kg liquid = 0.6546E+00 Moles total = 0.5551E+02 kg total = 0.1000E+01 Activity = 1.0000 Stoichiometric ionic strength = .5108098E-01 Osmotic coef. = 0.9342 True ionic strength = .5059383E-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+ 0.24062E-07 -7.6187 0.18827E-07 -7.7252 0.78243E+00 -0.1066 2 H2O 0.10000E+01 -0.0000 0.10000E+01 -0.0000 3 Cl- 0.46469E-01 -1.3328 0.35929E-01 -1.4446 0.77320E+00 -0.1117 4 SO4-- 0.77100E-05 -5.1129 0.29624E-05 -5.5284 0.38423E+00 -0.4154 5 HCO3- 0.31658E-02 -2.4995 0.24555E-02 -2.6099 0.77564E+00 -0.1103 6 HS- 0.29678E-03 -3.5276 0.22955E-03 -3.6391 0.77344E+00 -0.1116 7 H4SiO4 0.11532E-02 -2.9381 0.11532E-02 -2.9381 0.10000E+01 0.0000 8 Al+++ 0.32322E-21 -21.4905 0.37350E-22 -22.4277 0.11556E+00 -0.9372 9 Ca++ 0.47735E-04 -4.3212 0.18057E-04 -4.7433 0.37828E+00 -0.4222 10 Mg++ 0.32494E-06 -6.4882 0.12172E-06 -6.9146 0.37460E+00 -0.4264 11 Fe++ 0.23212E-15 -15.6343 0.87156E-16 -16.0597 0.37548E+00 -0.4254 12 K+ 0.56691E-02 -2.2465 0.43994E-02 -2.3566 0.77603E+00 -0.1101 13 Na+ 0.44742E-01 -1.3493 0.34580E-01 -1.4612 0.77289E+00 -0.1119 14 Mn++ 0.41687E-09 -9.3800 0.15680E-09 -9.8046 0.37614E+00 -0.4246 15 Zn++ 0.10679E-13 -13.9715 0.40097E-14 -14.3969 0.37548E+00 -0.4254 16 Cu+ 0.26700E-15 -15.5735 0.20633E-15 -15.6854 0.77280E+00 -0.1119 17 Pb++ 0.24253E-15 -15.6152 0.92327E-16 -16.0347 0.38068E+00 -0.4194 18 Hg++ 0.18924E-39 -39.7230 0.71823E-40 -40.1437 0.37953E+00 -0.4207 19 F- 0.36986E-03 -3.4320 0.28467E-03 -3.5457 0.76968E+00 -0.1137 21 HSiO3- 0.78759E-04 -4.1037 0.60896E-04 -4.2154 0.77320E+00 -0.1117 22 Ca(HSiO3)+ 0.37312E-07 -7.4281 0.28969E-07 -7.5381 0.77639E+00 -0.1099 23 Mg(HSiO3)+ 0.30259E-09 -9.5191 0.23493E-09 -9.6291 0.77639E+00 -0.1099 24 NaHSiO3,aq 0.31776E-04 -4.4979 0.31776E-04 -4.4979 0.10000E+01 0.0000 27 HAlO2,aq 0.40086E-09 -9.3970 0.40086E-09 -9.3970 0.10000E+01 0.0000 28 AlO2- 0.74972E-07 -7.1251 0.57738E-07 -7.2385 0.77013E+00 -0.1134 29 CH4,aq 0.18464E-06 -6.7337 0.18189E-06 -6.7402 0.98514E+00 -0.0065 35 CO2,aq 0.11535E-03 -3.9380 0.11363E-03 -3.9445 0.98514E+00 -0.0065 36 CO3-2 0.27676E-04 -4.5579 0.10586E-04 -4.9753 0.38251E+00 -0.4174 37 CaCO3,aq 0.30286E-05 -5.5188 0.30286E-05 -5.5188 0.10000E+01 0.0000 38 Ca(HCO3)+ 0.17037E-05 -5.7686 0.13228E-05 -5.8785 0.77639E+00 -0.1099 39 CaCl+ 0.16077E-05 -5.7938 0.12482E-05 -5.9037 0.77639E+00 -0.1099 40 CaCl2,aq 0.10832E-07 -7.9653 0.10832E-07 -7.9653 0.10000E+01 0.0000 41 CaF+ 0.11539E-06 -6.9378 0.89586E-07 -7.0478 0.77639E+00 -0.1099 42 CaOH+ 0.14848E-06 -6.8283 0.11528E-06 -6.9383 0.77639E+00 -0.1099 43 CaSO4,aq 0.19774E-07 -7.7039 0.19774E-07 -7.7039 0.10000E+01 0.0000 44 HCl,aq 0.12822E-09 -9.8921 0.12822E-09 -9.8921 0.10000E+01 0.0000 61 HF,aq 0.45072E-07 -7.3461 0.45072E-07 -7.3461 0.10000E+01 0.0000 76 H2,aq 0.15071E-06 -6.8219 0.14847E-06 -6.8284 0.98514E+00 -0.0065 90 KCl,aq 0.35169E-05 -5.4538 0.35169E-05 -5.4538 0.10000E+01 0.0000 92 KOH,aq 0.13990E-06 -6.8542 0.13990E-06 -6.8542 0.10000E+01 0.0000 93 KSO4- 0.29441E-06 -6.5310 0.22764E-06 -6.6428 0.77320E+00 -0.1117 94 MgCO3,aq 0.48732E-08 -8.3122 0.48732E-08 -8.3122 0.10000E+01 0.0000 95 Mg(HCO3)+ 0.11758E-07 -7.9296 0.91292E-08 -8.0396 0.77639E+00 -0.1099 96 MgCl+ 0.94475E-08 -8.0247 0.73349E-08 -8.1346 0.77639E+00 -0.1099 97 MgF+ 0.28213E-08 -8.5496 0.21904E-08 -8.6595 0.77639E+00 -0.1099 98 MgOH+ 0.52156E-08 -8.2827 0.40494E-08 -8.3926 0.77639E+00 -0.1099 102 MnOH+ 0.47382E-10 -10.3244 0.36787E-10 -10.4343 0.77639E+00 -0.1099 107 MnCl+ 0.57999E-10 -10.2366 0.45030E-10 -10.3465 0.77639E+00 -0.1099 109 NaCl,aq 0.45695E-03 -3.3401 0.45695E-03 -3.3401 0.10000E+01 0.0000 110 NaF,aq 0.25942E-05 -5.5860 0.25942E-05 -5.5860 0.10000E+01 0.0000 111 NaOH,aq 0.10596E-05 -5.9748 0.10596E-05 -5.9748 0.10000E+01 0.0000 113 OH- 0.50903E-04 -4.2933 0.39202E-04 -4.4067 0.77013E+00 -0.1134 124 Pb(HS)2,aq 0.30836E-10 -10.5109 0.30836E-10 -10.5109 0.10000E+01 0.0000 126 H2S,aq 0.13694E-04 -4.8635 0.13491E-04 -4.8700 0.98514E+00 -0.0065 127 S2-2 0.32781E-10 -10.4844 0.12539E-10 -10.9017 0.38251E+00 -0.4174 135 HSO4- 0.93321E-10 -10.0300 0.72604E-10 -10.1390 0.77801E+00 -0.1090 164 Cu(HS)2- 0.19224E-07 -7.7162 0.14864E-07 -7.8279 0.77320E+00 -0.1117 166 CuH4S3-b 0.22690E-08 -8.6442 0.17544E-08 -8.7559 0.77320E+00 -0.1117 179 MgSO4,aq 0.48687E-09 -9.3126 0.48687E-09 -9.3126 0.10000E+01 0.0000 182 MnCO3,aq 0.36581E-08 -8.4367 0.36581E-08 -8.4367 0.10000E+01 0.0000 183 NaCO3- 0.72060E-05 -5.1423 0.55716E-05 -5.2540 0.77320E+00 -0.1117 184 NaHCO3,aq 0.25263E-04 -4.5975 0.25263E-04 -4.5975 0.10000E+01 0.0000 185 NaHS,aq 0.23616E-05 -5.6268 0.23616E-05 -5.6268 0.10000E+01 0.0000 186 NaSO4- 0.12273E-05 -5.9110 0.94896E-06 -6.0228 0.77320E+00 -0.1117 193 Zn(HS)2,aq 0.40119E-09 -9.3967 0.40119E-09 -9.3967 0.10000E+01 0.0000 Charge balance for all species = 0.3670E-07 Component Molality Aq.molality ppm log[A(N)/A(H+)**Z] (total) 1 H+ 0.2406203E-07 -.7197459E-04 -.7230982E-01 0.0000 2 H2O 0.1000000E+01 0.5550808E+02 0.9967382E+06 0.0000 3 Cl- 0.4646869E-01 0.4693080E-01 0.1658419E+04 6.2807 4 SO4-- 0.7709970E-05 0.9029756E-05 0.8645880E+00 9.9221 5 HCO3- 0.3165775E-02 0.3346204E-02 0.2035111E+03 5.1154 6 HS- 0.2967849E-03 0.3131093E-03 0.1032143E+02 4.0861 7 H4SiO4 0.1153176E-02 0.1263749E-02 0.1210702E+03 -2.9381 8 Al+++ 0.3232155E-21 0.7537300E-07 0.2027054E-02 0.7480 9 Ca++ 0.4773521E-04 0.5440704E-04 0.2173425E+01 10.7071 10 Mg++ 0.3249416E-06 0.3598471E-06 0.8720113E-02 8.5358 11 Fe++ 0.2321182E-15 0.5557956E-15 0.3093844E-10 -0.6093 12 K+ 0.5669108E-02 0.5673059E-02 0.2211056E+03 5.3686 13 Na+ 0.4474151E-01 0.4526995E-01 0.1037358E+04 6.2640 14 Mn++ 0.4168737E-09 0.4186510E-08 0.2292495E-03 5.6458 15 Zn++ 0.1067892E-13 0.4133820E-09 0.2693478E-04 1.0536 16 Cu+ 0.2669961E-15 0.2149316E-07 0.1361228E-02 -7.9602 17 Pb++ 0.2425285E-15 0.4046401E-10 0.8356437E-05 -0.5842 18 Hg++ 0.1892396E-39 0.2665305E-11 0.5328925E-06 -24.6933 19 F- 0.3698573E-03 0.3726148E-03 0.7055883E+01 4.1796 Component Tot moles Aq. moles Solid moles Gas moles 1 H+ 0.1822172E+00 -.4711344E-04 -.8870630E-05 0.1822732E+00 2 H2O 0.5550825E+02 0.3633472E+02 -.1405183E-01 0.1918759E+02 3 Cl- 0.3072017E-01 0.3072017E-01 0.0000000E+00 0.5627491E-11 4 SO4-- -.4257700E-02 0.5910737E-05 0.1002171E-08 -.4263612E-02 5 HCO3- 0.1832100E+00 0.2190373E-02 0.0000000E+00 0.1810196E+00 6 HS- 0.9985820E-02 0.2049565E-03 0.6127931E-07 0.9780802E-02 7 H4SiO4 0.7855346E-02 0.8272302E-03 0.7028116E-02 0.0000000E+00 8 Al+++ 0.2253680E-05 0.4933799E-07 0.2204342E-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 0.0000000E+00 0.0000000E+00 11 Fe++ 0.8017372E-08 0.3638151E-15 0.8017372E-08 0.0000000E+00 12 K+ 0.3715700E-02 0.3713496E-02 0.2204342E-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 0.0000000E+00 0.0000000E+00 15 Zn++ 0.1530000E-07 0.2705934E-09 0.1502941E-07 0.0000000E+00 16 Cu+ 0.6237410E-07 0.1406909E-07 0.4830501E-07 0.0000000E+00 17 Pb++ 0.1110000E-07 0.2648711E-10 0.1107351E-07 0.0000000E+00 18 Hg++ 0.4000000E-08 0.1744667E-11 0.0000000E+00 0.3998255E-08 19 F- 0.2439100E-03 0.2439078E-03 0.0000000E+00 0.2179359E-08 Chg. balance for solid moles: -.1396E-16 Mass of aqueous solution: 0.656723E+03 g Temperature = 108.00 C Pressure = 1.32 bar Mixer frac. = 0.0000000 Log Log Vol Gas or mineral Moles Moles Grams Grams Wt.% (cm3) H2O,gas 19.36 1.287 348.7 2.542 97.74 0.4553E+06 CO2,gas 0.1774 -0.751 7.808 0.893 2.189 4282. CH4,gas 0.3599E-02 -2.444 0.5773E-01 -1.239 0.1618E-01 87.42 H2,gas 0.2658E-02 -2.575 0.5369E-02 -2.270 0.1505E-02 63.65 H2S,gas 0.5517E-02 -2.258 0.1880 -0.726 0.5271E-01 131.4 CO,gas 0.8856E-08 -8.053 0.2480E-06 -6.605 0.6954E-07 0.2119E-03 SO2,gas 0.6907E-16 -16.161 0.4424E-14 -14.354 0.1240E-14 0.1653E-11 HF,gas 0.2179E-08 -8.662 0.4359E-07 -7.361 0.1222E-07 0.5215E-04 HCl,gas 0.5627E-11 -11.250 0.2052E-09 -9.688 0.5752E-10 0.1347E-06 Hg,gas 0.3998E-08 -8.398 0.8020E-06 -6.096 0.2248E-06 0.9568E-04 microcline 0.2204E-05 -5.657 0.6136E-03 -3.212 0.1452 0.2397E-03 quartz 0.7022E-02 -2.154 0.4219 -0.375 99.85 0.1593 bornite 0.8017E-08 -8.096 0.4023E-05 -5.395 0.9523E-03 0.7915E-06 chalcocite 0.4109E-08 -8.386 0.6539E-06 -6.184 0.1548E-03 0.1130E-06 galena 0.1107E-07 -7.956 0.2649E-05 -5.577 0.6271E-03 0.3487E-06 sphalerite 0.1503E-07 -7.823 0.1464E-05 -5.834 0.3466E-03 0.3581E-06 Partial press. Fugacity coef Log fugacity Gas or Mineral Mole fraction or activity Activity coef Log activity H2O,gas 0.9903E+00 0.1311E+01 0.9831 0.110 CO2,gas 0.9076E-02 0.1202E-01 1.0081 -1.917 CH4,gas 0.1841E-03 0.2438E-03 1.0149 -3.607 H2,gas 0.1360E-03 0.1801E-03 1.0007 -3.744 H2S,gas 0.2822E-03 0.3738E-03 0.9951 -3.430 CO,gas 0.4530E-09 0.5999E-09 1.0000 -9.222 SO2,gas 0.3533E-17 0.4679E-17 1.0000 -17.330 HF,gas 0.1115E-09 0.1476E-09 1.0000 -9.831 HCl,gas 0.2879E-12 0.3812E-12 1.0000 -12.419 Hg,gas 0.2045E-09 0.2709E-09 1.0000 -9.567 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 chalcocite 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: 35.183547 % Solid products produced: Mass = 0.422474 g Volume = 0.159551 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 0.01 0.01 0.00 0.000 -0.21650E-10 2 CO2,gas -8.30 -8.30 -0.00 -0.000 0.92943E-11 3 CH4,gas 3.01 3.01 -0.00 -0.000 0.19363E-10 4 H2,gas 6.27 6.27 -0.00 -0.000 0.15491E-11 5 H2S,gas -7.81 -7.81 0.00 0.000 -0.61962E-11 6 CO,gas 1.41 1.41 0.00 0.000 -0.11618E-11 7 SO2,gas -1.12 -1.12 0.00 0.000 -0.65835E-11 8 HF,gas -1.32 -1.32 0.00 0.000 -0.19363E-11 9 HCl,gas 3.37 3.37 0.00 0.000 -0.30981E-11 10 Hg,gas -12.60 -12.60 -0.00 -0.000 0.30981E-11 112 microcline -2.70 -2.70 -0.00 -0.000 0.12392E-10 143 quartz -2.94 -2.94 0.00 0.000 0.00000E+00 196 bornite -87.07 -87.07 0.00 0.000 -0.24785E-10 199 chalcocite -27.28 -27.28 0.00 0.000 -0.12392E-10 247 galena -11.95 -11.95 0.00 0.000 -0.30981E-11 258 sphalerite -10.31 -10.31 0.00 0.000 -0.30981E-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 0.36 -1.80 -2.17 -0.167 0.37780E+04 16 albite -0.67 -1.80 -1.13 -0.087 0.19717E+04 20 analcite 2.98 1.14 -1.84 -0.205 0.32139E+04 24 anhydrite -5.49 -10.27 -4.78 -2.392 0.83421E+04 27 phlogopite 25.96 22.91 -3.05 -0.170 0.53234E+04 32 aragonite 0.84 0.37 -0.47 -0.155 0.81266E+03 33 brucite 12.24 8.54 -3.71 -0.742 0.64666E+04 34 calcite 0.68 0.37 -0.31 -0.103 0.53903E+03 35 carnegieite-low 8.57 4.07 -4.49 -0.642 0.78348E+04 37 carpholite-Mg 7.77 4.16 -3.61 -0.241 0.63029E+04 39 celadonite 4.94 2.90 -2.04 -0.120 0.35503E+04 41 chrysotile 23.15 19.73 -3.42 -0.285 0.59668E+04 48 coesite -2.33 -2.94 -0.60 -0.201 0.10532E+04 55 cristobalite -2.53 -2.94 -0.41 -0.136 0.71392E+03 58 cymrite-K 1.40 -2.70 -4.10 -0.342 0.71549E+04 60 diaspore 2.54 0.75 -1.80 -0.299 0.31321E+04 61 diamond -2.99 -5.53 -2.54 -0.725 0.44252E+04 62 diopside 15.68 13.37 -2.31 -0.231 0.40338E+04 64 dolomite,ordered 0.26 -1.43 -1.69 -0.281 0.29424E+04 78 gibbsite 3.76 0.75 -3.01 -0.430 0.52447E+04 82 graphite -3.43 -5.53 -2.10 -0.599 0.36594E+04 85 halite 1.55 -2.91 -4.46 -2.230 0.77771E+04 87 heulandite -6.38 -8.36 -1.99 -0.090 0.34625E+04 91 jadeite 3.89 1.14 -2.75 -0.275 0.48021E+04 93 kalsilite 7.18 3.18 -4.00 -0.571 0.69770E+04 94 kaolinite -1.84 -4.38 -2.54 -0.231 0.44369E+04 97 laumontite 2.23 0.45 -1.78 -0.119 0.31071E+04 98 lawsonite 8.86 6.33 -2.54 -0.169 0.44245E+04 99 leucite 3.75 0.24 -3.51 -0.351 0.61227E+04 101 lizardite 22.53 19.73 -2.80 -0.233 0.48827E+04 102 magnesite 0.51 -1.80 -2.31 -0.770 0.40299E+04 116 muscovite 1.71 -1.20 -2.91 -0.171 0.50838E+04 117 paragonite 3.31 -0.31 -3.62 -0.213 0.63113E+04 118 nepheline 7.89 4.07 -3.82 -0.546 0.66604E+04 130 phlogopite-Na 28.46 23.81 -4.65 -0.258 0.81115E+04 132 prehnite 18.28 14.10 -4.19 -0.246 0.73013E+04 138 pyrite -21.04 -25.74 -4.71 -1.107 0.82065E+04 141 pyroxmangite 7.17 2.71 -4.46 -0.892 0.77760E+04 142 pyrophyllite -6.64 -10.26 -3.62 -0.226 0.63067E+04 148 rhodochrosite -1.08 -4.69 -3.61 -1.203 0.62958E+04 149 rhodonite 7.21 2.71 -4.50 -0.900 0.78525E+04 150 sanidine -1.51 -2.70 -1.19 -0.091 0.20678E+04 160 stilbite -7.87 -8.36 -0.50 -0.024 0.86467E+03 162 stilpnomelane-Mg 25.87 23.35 -2.52 -0.075 0.43873E+04 166 sulfur -9.08 -13.77 -4.69 -1.443 0.81768E+04 168 talc 15.85 13.86 -1.99 -0.117 0.34716E+04 176 tridymite -2.59 -2.94 -0.35 -0.116 0.60564E+03 185 wairakite 3.19 0.45 -2.74 -0.161 0.47703E+04 186 walstromite 11.21 7.77 -3.44 -0.689 0.60069E+04 187 wollastonite 10.19 7.77 -2.42 -0.484 0.42178E+04 188 pseudo-wollastonite 10.71 7.77 -2.94 -0.588 0.51267E+04 191 beidellite-Ca -2.32 -7.27 -4.96 -0.307 0.86443E+04 195 beidellite-Na -1.99 -6.97 -4.98 -0.305 0.86942E+04 198 chalcedony -2.76 -2.94 -0.18 -0.061 0.31907E+03 200 covellite -19.55 -20.53 -0.98 -0.373 0.17093E+04 201 dawsonite 1.43 -3.32 -4.75 -0.594 0.82877E+04 202 montmorillonite-Ca -2.79 -5.92 -3.13 -0.194 0.54629E+04 203 montmorillonite-K -2.70 -5.91 -3.22 -0.197 0.56099E+04 204 montmorillonite-Mg -2.98 -6.28 -3.30 -0.204 0.57488E+04 205 montmorillonite-Na -2.51 -5.62 -3.11 -0.190 0.54225E+04 227 tobermorite 9.68 5.98 -3.70 -1.010 0.64538E+04 233 alabandite -1.10 -5.72 -4.62 -1.539 0.80531E+04 238 boehmite 4.02 0.75 -3.28 -0.546 0.57153E+04 240 chalcopyrite -28.22 -32.50 -4.28 -0.796 0.74598E+04 241 cinnabar -31.25 -36.06 -4.81 -1.604 0.83921E+04 243 copper,native -2.88 -6.76 -3.88 -1.348 0.67611E+04 244 dolomite,disordered 0.93 -1.43 -2.36 -0.394 0.41179E+04 246 fluorite -10.00 -11.83 -1.84 -0.612 0.32016E+04 255 silica-amorphous -2.07 -2.94 -0.86 -0.288 0.15075E+04 259 wurtzite -8.51 -10.31 -1.80 -0.599 0.31326E+04 261 an20ab80 1.59 -0.18 -1.77 -0.136 0.30808E+04 262 an25ab75 2.18 0.23 -1.95 -0.150 0.34074E+04 263 an30ab70 2.78 0.64 -2.15 -0.165 0.37425E+04 Calculations done for 108.0000 Deg. C; 1.3242 bar Enthalpies: Pure water 1.9588 kcal/mole H2O,gas 11.6317 kcal/mole CO2,gas 1.0061 kcal/mole CH4,gas 0.9673 kcal/mole Current solution 71.1743 Gas 225.3563 kcal Total current enthalpy 296.5306 kcal Starting enthalpy 296.5306 kcal Temperature changed by -2.000 degrees to 106.000 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 = 8 Loop limit = 200 Temperature = 106.00 C Pressure = 1.24 bar Mixer fraction = 0.0000000 Total current enthalpy = 296.5306 KCAL Water: Moles liquid = 0.3618E+02 kg liquid = 0.6517E+00 Moles total = 0.5551E+02 kg total = 0.1000E+01 Activity = 1.0000 Stoichiometric ionic strength = .5130038E-01 Osmotic coef. = 0.9345 True ionic strength = .5082384E-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+ 0.22929E-07 -7.6396 0.17957E-07 -7.7458 0.78316E+00 -0.1062 2 H2O 0.10000E+01 -0.0000 0.10000E+01 -0.0000 3 Cl- 0.46679E-01 -1.3309 0.36124E-01 -1.4422 0.77388E+00 -0.1113 4 SO4-- 0.82140E-05 -5.0854 0.31669E-05 -5.4994 0.38555E+00 -0.4139 5 HCO3- 0.31844E-02 -2.4970 0.24720E-02 -2.6070 0.77629E+00 -0.1100 6 HS- 0.29151E-03 -3.5353 0.22566E-03 -3.6465 0.77412E+00 -0.1112 7 H4SiO4 0.11148E-02 -2.9528 0.11148E-02 -2.9528 0.10000E+01 0.0000 8 Al+++ 0.31929E-21 -21.4958 0.37194E-22 -22.4295 0.11649E+00 -0.9337 9 Ca++ 0.48016E-04 -4.3186 0.18228E-04 -4.7393 0.37963E+00 -0.4206 10 Mg++ 0.32707E-06 -6.4854 0.12297E-06 -6.9102 0.37598E+00 -0.4248 11 Fe++ 0.20853E-15 -15.6808 0.78583E-16 -16.1047 0.37685E+00 -0.4238 12 K+ 0.56940E-02 -2.2446 0.44223E-02 -2.3544 0.77666E+00 -0.1098 13 Na+ 0.44944E-01 -1.3473 0.34767E-01 -1.4588 0.77356E+00 -0.1115 14 Mn++ 0.39910E-09 -9.3989 0.15067E-09 -9.8220 0.37751E+00 -0.4231 15 Zn++ 0.99414E-14 -14.0026 0.37464E-14 -14.4264 0.37685E+00 -0.4238 16 Cu+ 0.22183E-15 -15.6540 0.17158E-15 -15.7655 0.77347E+00 -0.1116 17 Pb++ 0.20932E-15 -15.6792 0.79962E-16 -16.0971 0.38201E+00 -0.4179 18 Hg++ 0.14596E-39 -39.8358 0.55593E-40 -40.2550 0.38087E+00 -0.4192 19 F- 0.37153E-03 -3.4300 0.28625E-03 -3.5433 0.77046E+00 -0.1133 21 HSiO3- 0.77803E-04 -4.1090 0.60210E-04 -4.2203 0.77388E+00 -0.1113 22 Ca(HSiO3)+ 0.35995E-07 -7.4438 0.27969E-07 -7.5533 0.77701E+00 -0.1096 23 Mg(HSiO3)+ 0.29461E-09 -9.5308 0.22891E-09 -9.6403 0.77701E+00 -0.1096 24 NaHSiO3,aq 0.32242E-04 -4.4916 0.32242E-04 -4.4916 0.10000E+01 0.0000 27 HAlO2,aq 0.36666E-09 -9.4357 0.36666E-09 -9.4357 0.10000E+01 0.0000 28 AlO2- 0.68182E-07 -7.1663 0.52560E-07 -7.2793 0.77088E+00 -0.1130 29 CH4,aq 0.17123E-06 -6.7664 0.16868E-06 -6.7729 0.98513E+00 -0.0065 35 CO2,aq 0.10833E-03 -3.9653 0.10672E-03 -3.9718 0.98513E+00 -0.0065 36 CO3-2 0.29251E-04 -4.5339 0.11228E-04 -4.9497 0.38385E+00 -0.4158 37 CaCO3,aq 0.30763E-05 -5.5120 0.30763E-05 -5.5120 0.10000E+01 0.0000 38 Ca(HCO3)+ 0.16684E-05 -5.7777 0.12964E-05 -5.8873 0.77701E+00 -0.1096 39 CaCl+ 0.15659E-05 -5.8052 0.12167E-05 -5.9148 0.77701E+00 -0.1096 40 CaCl2,aq 0.10620E-07 -7.9739 0.10620E-07 -7.9739 0.10000E+01 0.0000 41 CaF+ 0.11233E-06 -6.9495 0.87281E-07 -7.0591 0.77701E+00 -0.1096 42 CaOH+ 0.13850E-06 -6.8586 0.10761E-06 -6.9681 0.77701E+00 -0.1096 43 CaSO4,aq 0.20641E-07 -7.6853 0.20641E-07 -7.6853 0.10000E+01 0.0000 44 HCl,aq 0.12103E-09 -9.9171 0.12103E-09 -9.9171 0.10000E+01 0.0000 61 HF,aq 0.41354E-07 -7.3835 0.41354E-07 -7.3835 0.10000E+01 0.0000 76 H2,aq 0.13469E-06 -6.8707 0.13269E-06 -6.8772 0.98513E+00 -0.0065 90 KCl,aq 0.33984E-05 -5.4687 0.33984E-05 -5.4687 0.10000E+01 0.0000 92 KOH,aq 0.13512E-06 -6.8693 0.13512E-06 -6.8693 0.10000E+01 0.0000 93 KSO4- 0.30749E-06 -6.5122 0.23796E-06 -6.6235 0.77388E+00 -0.1113 94 MgCO3,aq 0.50200E-08 -8.2993 0.50200E-08 -8.2993 0.10000E+01 0.0000 95 Mg(HCO3)+ 0.11524E-07 -7.9384 0.89541E-08 -8.0480 0.77701E+00 -0.1096 96 MgCl+ 0.93025E-08 -8.0314 0.72282E-08 -8.1410 0.77701E+00 -0.1096 97 MgF+ 0.27618E-08 -8.5588 0.21460E-08 -8.6684 0.77701E+00 -0.1096 98 MgOH+ 0.49398E-08 -8.3063 0.38383E-08 -8.4159 0.77701E+00 -0.1096 102 MnOH+ 0.43270E-10 -10.3638 0.33621E-10 -10.4734 0.77701E+00 -0.1096 107 MnCl+ 0.52671E-10 -10.2784 0.40926E-10 -10.3880 0.77701E+00 -0.1096 109 NaCl,aq 0.45165E-03 -3.3452 0.45165E-03 -3.3452 0.10000E+01 0.0000 110 NaF,aq 0.25569E-05 -5.5923 0.25569E-05 -5.5923 0.10000E+01 0.0000 111 NaOH,aq 0.10336E-05 -5.9857 0.10336E-05 -5.9857 0.10000E+01 0.0000 113 OH- 0.49774E-04 -4.3030 0.38370E-04 -4.4160 0.77088E+00 -0.1130 124 Pb(HS)2,aq 0.27303E-10 -10.5638 0.27303E-10 -10.5638 0.10000E+01 0.0000 126 H2S,aq 0.12878E-04 -4.8901 0.12687E-04 -4.8966 0.98513E+00 -0.0065 127 S2-2 0.31536E-10 -10.5012 0.12105E-10 -10.9170 0.38385E+00 -0.4158 135 HSO4- 0.89002E-10 -10.0506 0.69299E-10 -10.1593 0.77863E+00 -0.1087 164 Cu(HS)2- 0.18018E-07 -7.7443 0.13943E-07 -7.8556 0.77388E+00 -0.1113 166 CuH4S3-b 0.23028E-08 -8.6377 0.17821E-08 -8.7491 0.77388E+00 -0.1113 179 MgSO4,aq 0.50494E-09 -9.2968 0.50494E-09 -9.2968 0.10000E+01 0.0000 182 MnCO3,aq 0.37042E-08 -8.4313 0.37042E-08 -8.4313 0.10000E+01 0.0000 183 NaCO3- 0.75492E-05 -5.1221 0.58422E-05 -5.2334 0.77388E+00 -0.1113 184 NaHCO3,aq 0.24951E-04 -4.6029 0.24951E-04 -4.6029 0.10000E+01 0.0000 185 NaHS,aq 0.22777E-05 -5.6425 0.22777E-05 -5.6425 0.10000E+01 0.0000 186 NaSO4- 0.12976E-05 -5.8869 0.10042E-05 -5.9982 0.77388E+00 -0.1113 193 Zn(HS)2,aq 0.36613E-09 -9.4364 0.36613E-09 -9.4364 0.10000E+01 0.0000 Charge balance for all species = 0.3686E-07 Component Molality Aq.molality ppm log[A(N)/A(H+)**Z] (total) 1 H+ 0.2292943E-07 -.8008908E-04 -.8046131E-01 0.0000 2 H2O 0.1000000E+01 0.5550808E+02 0.9967285E+06 0.0000 3 Cl- 0.4667885E-01 0.4713549E-01 0.1665636E+04 6.3036 4 SO4-- 0.8213956E-05 0.9635391E-05 0.9225678E+00 9.9922 5 HCO3- 0.3184383E-02 0.3359397E-02 0.2043115E+03 5.1388 6 HS- 0.2915090E-03 0.3069137E-03 0.1011710E+02 4.0992 7 H4SiO4 0.1114758E-02 0.1224839E-02 0.1173414E+03 -2.9528 8 Al+++ 0.3192901E-21 0.6854875E-07 0.1843507E-02 0.8077 9 Ca++ 0.4801559E-04 0.5464435E-04 0.2182883E+01 10.7523 10 Mg++ 0.3270692E-06 0.3614166E-06 0.8758061E-02 8.5813 11 Fe++ 0.2085253E-15 0.4870881E-15 0.2711356E-10 -0.6132 12 K+ 0.5693954E-02 0.5697795E-02 0.2220675E+03 5.3914 13 Na+ 0.4494384E-01 0.4546740E-01 0.1041872E+04 6.2869 14 Mn++ 0.3991030E-09 0.4204769E-08 0.2302471E-03 5.6695 15 Zn++ 0.9941372E-14 0.3770222E-09 0.2456544E-04 1.0651 16 Cu+ 0.2218341E-15 0.2032049E-07 0.1286946E-02 -8.0198 17 Pb++ 0.2093172E-15 0.3593405E-10 0.7420857E-05 -0.6056 18 Hg++ 0.1459615E-39 0.2586854E-11 0.5172022E-06 -24.7635 19 F- 0.3715269E-03 0.3742403E-03 0.7086594E+01 4.2025 Component Tot moles Aq. moles Solid moles Gas moles 1 H+ 0.1822172E+00 -.5219739E-04 -.8889719E-05 0.1822783E+00 2 H2O 0.5550825E+02 0.3617693E+02 -.1410972E-01 0.1934543E+02 3 Cl- 0.3072017E-01 0.3072017E-01 0.0000000E+00 0.5046097E-11 4 SO4-- -.4257700E-02 0.6279786E-05 0.1002171E-08 -.4263981E-02 5 HCO3- 0.1832100E+00 0.2189459E-02 0.0000000E+00 0.1810205E+00 6 HS- 0.9985820E-02 0.2000285E-03 0.6171994E-07 0.9785730E-02 7 H4SiO4 0.7855346E-02 0.7982789E-03 0.7057067E-02 0.0000000E+00 8 Al+++ 0.2253680E-05 0.4467608E-07 0.2209004E-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 0.0000000E+00 0.0000000E+00 11 Fe++ 0.8017372E-08 0.3174556E-15 0.8017372E-08 0.0000000E+00 12 K+ 0.3715700E-02 0.3713491E-02 0.2209004E-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 0.0000000E+00 0.0000000E+00 15 Zn++ 0.1530000E-07 0.2457211E-09 0.1505428E-07 0.0000000E+00 16 Cu+ 0.6237410E-07 0.1324371E-07 0.4913039E-07 0.0000000E+00 17 Pb++ 0.1110000E-07 0.2341972E-10 0.1107658E-07 0.0000000E+00 18 Hg++ 0.4000000E-08 0.1685961E-11 0.0000000E+00 0.3998314E-08 19 F- 0.2439100E-03 0.2439080E-03 0.0000000E+00 0.2000353E-08 Chg. balance for solid moles: 0.5051E-16 Mass of aqueous solution: 0.653877E+03 g Temperature = 106.00 C Pressure = 1.24 bar Mixer frac. = 0.0000000 Log Log Vol Gas or mineral Moles Moles Grams Grams Wt.% (cm3) H2O,gas 19.52 1.290 351.5 2.546 97.76 0.4896E+06 CO2,gas 0.1774 -0.751 7.808 0.893 2.171 4560. CH4,gas 0.3617E-02 -2.442 0.5801E-01 -1.236 0.1613E-01 93.55 H2,gas 0.2589E-02 -2.587 0.5229E-02 -2.282 0.1454E-02 66.06 H2S,gas 0.5522E-02 -2.258 0.1882 -0.725 0.5234E-01 140.2 CO,gas 0.7981E-08 -8.098 0.2235E-06 -6.651 0.6217E-07 0.2035E-03 SO2,gas 0.5802E-16 -16.236 0.3717E-14 -14.430 0.1034E-14 0.1480E-11 HF,gas 0.2000E-08 -8.699 0.4001E-07 -7.398 0.1113E-07 0.5101E-04 HCl,gas 0.5046E-11 -11.297 0.1840E-09 -9.735 0.5117E-10 0.1287E-06 Hg,gas 0.3998E-08 -8.398 0.8020E-06 -6.096 0.2231E-06 0.1020E-03 microcline 0.2209E-05 -5.656 0.6149E-03 -3.211 0.1449 0.2402E-03 quartz 0.7050E-02 -2.152 0.4236 -0.373 99.85 0.1600 bornite 0.8017E-08 -8.096 0.4023E-05 -5.395 0.9484E-03 0.7915E-06 chalcocite 0.4522E-08 -8.345 0.7196E-06 -6.143 0.1696E-03 0.1243E-06 galena 0.1108E-07 -7.956 0.2650E-05 -5.577 0.6247E-03 0.3488E-06 sphalerite 0.1505E-07 -7.822 0.1467E-05 -5.834 0.3458E-03 0.3587E-06 Partial press. Fugacity coef Log fugacity Gas or Mineral Mole fraction or activity Activity coef Log activity H2O,gas 0.9904E+00 0.1224E+01 0.9839 0.081 CO2,gas 0.9003E-02 0.1113E-01 1.0078 -1.950 CH4,gas 0.1835E-03 0.2269E-03 1.0142 -3.638 H2,gas 0.1314E-03 0.1624E-03 1.0006 -3.789 H2S,gas 0.2802E-03 0.3464E-03 0.9954 -3.462 CO,gas 0.4050E-09 0.5007E-09 1.0000 -9.300 SO2,gas 0.2944E-17 0.3640E-17 1.0000 -17.439 HF,gas 0.1015E-09 0.1255E-09 1.0000 -9.901 HCl,gas 0.2561E-12 0.3165E-12 1.0000 -12.500 Hg,gas 0.2029E-09 0.2508E-09 1.0000 -9.601 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 chalcocite 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: 35.463986 % Solid products produced: Mass = 0.424214 g Volume = 0.160208 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 0.01 0.01 0.00 0.000 -0.16709E-10 2 CO2,gas -8.31 -8.31 -0.00 -0.000 0.30819E-11 3 CH4,gas 2.98 2.98 -0.00 -0.000 0.12327E-10 4 H2,gas 6.28 6.28 0.00 0.000 0.00000E+00 5 H2S,gas -7.84 -7.84 0.00 0.000 -0.61637E-11 6 CO,gas 1.44 1.44 0.00 0.000 -0.15409E-11 7 SO2,gas -1.06 -1.06 -0.00 -0.000 0.15409E-11 8 HF,gas -1.30 -1.30 0.00 0.000 0.00000E+00 9 HCl,gas 3.40 3.40 0.00 0.000 -0.23114E-11 10 Hg,gas -12.67 -12.67 0.00 0.000 -0.30819E-11 112 microcline -2.66 -2.66 -0.00 -0.000 0.84751E-11 143 quartz -2.95 -2.95 0.00 0.000 0.00000E+00 196 bornite -87.48 -87.48 -0.00 -0.000 0.24655E-10 199 chalcocite -27.43 -27.43 -0.00 -0.000 0.61637E-11 247 galena -12.00 -12.00 0.00 0.000 -0.30819E-11 258 sphalerite -10.33 -10.33 0.00 0.000 -0.30819E-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 0.43 -1.76 -2.19 -0.169 0.38075E+04 16 albite -0.61 -1.76 -1.15 -0.088 0.19931E+04 20 analcite 3.05 1.19 -1.86 -0.207 0.32303E+04 24 anhydrite -5.45 -10.24 -4.78 -2.392 0.83002E+04 27 phlogopite 26.21 23.08 -3.13 -0.174 0.54269E+04 32 aragonite 0.87 0.40 -0.47 -0.155 0.80779E+03 33 brucite 12.32 8.58 -3.74 -0.748 0.64890E+04 34 calcite 0.71 0.40 -0.31 -0.103 0.53557E+03 35 carnegieite-low 8.67 4.14 -4.53 -0.647 0.78537E+04 37 carpholite-Mg 7.95 4.29 -3.66 -0.244 0.63519E+04 39 celadonite 5.02 2.97 -2.05 -0.121 0.35590E+04 41 chrysotile 23.32 19.84 -3.48 -0.290 0.60456E+04 48 coesite -2.35 -2.95 -0.61 -0.202 0.10524E+04 55 cristobalite -2.54 -2.95 -0.41 -0.138 0.71725E+03 58 cymrite-K 1.46 -2.66 -4.12 -0.343 0.71503E+04 60 diaspore 2.62 0.81 -1.81 -0.302 0.31436E+04 61 diamond -3.02 -5.55 -2.54 -0.725 0.44003E+04 62 diopside 15.79 13.43 -2.37 -0.237 0.41054E+04 64 dolomite,ordered 0.32 -1.37 -1.69 -0.282 0.29370E+04 78 gibbsite 3.83 0.81 -3.02 -0.432 0.52435E+04 82 graphite -3.46 -5.55 -2.10 -0.599 0.36365E+04 85 halite 1.56 -2.90 -4.46 -2.229 0.77349E+04 87 heulandite -6.27 -8.30 -2.03 -0.092 0.35201E+04 91 jadeite 3.96 1.19 -2.77 -0.277 0.48083E+04 93 kalsilite 7.27 3.25 -4.02 -0.575 0.69795E+04 94 kaolinite -1.73 -4.29 -2.56 -0.233 0.44461E+04 97 laumontite 2.37 0.56 -1.81 -0.121 0.31452E+04 98 lawsonite 9.03 6.46 -2.57 -0.171 0.44609E+04 99 leucite 3.83 0.29 -3.54 -0.354 0.61347E+04 101 lizardite 22.69 19.84 -2.86 -0.238 0.49558E+04 102 magnesite 0.55 -1.77 -2.32 -0.774 0.40290E+04 116 muscovite 1.90 -1.04 -2.95 -0.173 0.51124E+04 117 paragonite 3.52 -0.15 -3.66 -0.216 0.63575E+04 118 nepheline 7.99 4.14 -3.85 -0.550 0.66809E+04 130 phlogopite-Na 28.73 23.98 -4.75 -0.264 0.82360E+04 132 prehnite 18.53 14.26 -4.27 -0.251 0.74004E+04 138 pyrite -21.09 -25.80 -4.70 -1.107 0.81626E+04 141 pyroxmangite 7.22 2.72 -4.50 -0.901 0.78116E+04 142 pyrophyllite -6.55 -10.20 -3.65 -0.228 0.63331E+04 148 rhodochrosite -1.06 -4.68 -3.62 -1.208 0.62887E+04 149 rhodonite 7.26 2.72 -4.55 -0.909 0.78886E+04 150 sanidine -1.47 -2.66 -1.19 -0.092 0.20678E+04 160 stilbite -7.81 -8.30 -0.49 -0.023 0.85020E+03 162 stilpnomelane-Mg 26.22 23.60 -2.62 -0.078 0.45489E+04 166 sulfur -9.10 -13.79 -4.69 -1.444 0.81405E+04 168 talc 15.99 13.93 -2.06 -0.121 0.35664E+04 176 tridymite -2.60 -2.95 -0.35 -0.117 0.60747E+03 185 wairakite 3.35 0.56 -2.79 -0.164 0.48415E+04 186 walstromite 11.28 7.80 -3.48 -0.696 0.60407E+04 187 wollastonite 10.25 7.80 -2.45 -0.490 0.42511E+04 188 pseudo-wollastonite 10.78 7.80 -2.98 -0.595 0.51624E+04 198 chalcedony -2.77 -2.95 -0.18 -0.061 0.31912E+03 200 covellite -19.64 -20.61 -0.97 -0.370 0.16857E+04 201 dawsonite 1.48 -3.26 -4.74 -0.593 0.82253E+04 202 montmorillonite-Ca -2.68 -5.86 -3.17 -0.196 0.55026E+04 203 montmorillonite-K -2.60 -5.85 -3.25 -0.199 0.56346E+04 204 montmorillonite-Mg -2.88 -6.21 -3.34 -0.206 0.57897E+04 205 montmorillonite-Na -2.41 -5.56 -3.14 -0.192 0.54519E+04 227 tobermorite 9.71 6.00 -3.71 -1.012 0.64337E+04 233 alabandite -1.07 -5.72 -4.65 -1.550 0.80650E+04 238 boehmite 4.11 0.81 -3.31 -0.551 0.57346E+04 240 chalcopyrite -28.32 -32.62 -4.29 -0.799 0.74503E+04 241 cinnabar -31.39 -36.16 -4.77 -1.589 0.82714E+04 242 metacinnabar -31.17 -36.16 -4.99 -1.663 0.86531E+04 243 copper,native -2.92 -6.82 -3.90 -1.358 0.67732E+04 244 dolomite,disordered 1.00 -1.37 -2.37 -0.396 0.41179E+04 246 fluorite -9.99 -11.83 -1.84 -0.612 0.31843E+04 255 silica-amorphous -2.08 -2.95 -0.87 -0.290 0.15117E+04 259 wurtzite -8.52 -10.33 -1.81 -0.602 0.31328E+04 261 an20ab80 1.68 -0.12 -1.80 -0.138 0.31198E+04 262 an25ab75 2.28 0.29 -1.99 -0.153 0.34505E+04 263 an30ab70 2.89 0.70 -2.18 -0.168 0.37897E+04 Calculations done for 106.0000 Deg. C; 1.2362 bar Enthalpies: Pure water 1.9239 kcal/mole H2O,gas 11.6183 kcal/mole CO2,gas 0.9838 kcal/mole CH4,gas 0.9455 kcal/mole Current solution 69.6027 Gas 226.9279 kcal Total current enthalpy 296.5306 kcal Starting enthalpy 296.5306 kcal Temperature changed by -2.000 degrees to 104.000 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 = 8 Loop limit = 200 Temperature = 104.00 C Pressure = 1.15 bar Mixer fraction = 0.0000000 Total current enthalpy = 296.5306 KCAL Water: Moles liquid = 0.3602E+02 kg liquid = 0.6489E+00 Moles total = 0.5551E+02 kg total = 0.1000E+01 Activity = 1.0000 Stoichiometric ionic strength = .5151958E-01 Osmotic coef. = 0.9348 True ionic strength = .5105341E-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+ 0.21834E-07 -7.6609 0.17116E-07 -7.7666 0.78388E+00 -0.1058 2 H2O 0.10000E+01 -0.0000 0.10000E+01 -0.0000 3 Cl- 0.46889E-01 -1.3289 0.36318E-01 -1.4399 0.77455E+00 -0.1109 4 SO4-- 0.87502E-05 -5.0580 0.33852E-05 -5.4704 0.38687E+00 -0.4124 5 HCO3- 0.32027E-02 -2.4945 0.24883E-02 -2.6041 0.77692E+00 -0.1096 6 HS- 0.28621E-03 -3.5433 0.22175E-03 -3.6541 0.77479E+00 -0.1108 7 H4SiO4 0.10772E-02 -2.9677 0.10772E-02 -2.9677 0.10000E+01 0.0000 8 Al+++ 0.31515E-21 -21.5015 0.37006E-22 -22.4317 0.11742E+00 -0.9302 9 Ca++ 0.48292E-04 -4.3161 0.18398E-04 -4.7352 0.38097E+00 -0.4191 10 Mg++ 0.32916E-06 -6.4826 0.12421E-06 -6.9058 0.37736E+00 -0.4232 11 Fe++ 0.18721E-15 -15.7277 0.70807E-16 -16.1499 0.37822E+00 -0.4223 12 K+ 0.57187E-02 -2.2427 0.44451E-02 -2.3521 0.77728E+00 -0.1094 13 Na+ 0.45146E-01 -1.3454 0.34953E-01 -1.4565 0.77422E+00 -0.1111 14 Mn++ 0.38168E-09 -9.4183 0.14461E-09 -9.8398 0.37887E+00 -0.4215 15 Zn++ 0.92426E-14 -14.0342 0.34957E-14 -14.4565 0.37822E+00 -0.4223 16 Cu+ 0.18386E-15 -15.7355 0.14234E-15 -15.8467 0.77414E+00 -0.1112 17 Pb++ 0.18025E-15 -15.7441 0.69096E-16 -16.1605 0.38334E+00 -0.4164 18 Hg++ 0.11213E-39 -39.9503 0.42857E-40 -40.3680 0.38220E+00 -0.4177 19 F- 0.37319E-03 -3.4281 0.28782E-03 -3.5409 0.77123E+00 -0.1128 21 HSiO3- 0.76810E-04 -4.1146 0.59494E-04 -4.2255 0.77455E+00 -0.1109 22 Ca(HSiO3)+ 0.34711E-07 -7.4595 0.26993E-07 -7.5688 0.77763E+00 -0.1092 23 Mg(HSiO3)+ 0.28673E-09 -9.5425 0.22297E-09 -9.6517 0.77763E+00 -0.1092 24 NaHSiO3,aq 0.32714E-04 -4.4853 0.32714E-04 -4.4853 0.10000E+01 0.0000 27 HAlO2,aq 0.33478E-09 -9.4752 0.33478E-09 -9.4752 0.10000E+01 0.0000 28 AlO2- 0.61923E-07 -7.2081 0.47782E-07 -7.3207 0.77163E+00 -0.1126 29 CH4,aq 0.15875E-06 -6.7993 0.15639E-06 -6.8058 0.98512E+00 -0.0065 35 CO2,aq 0.10172E-03 -3.9926 0.10021E-03 -3.9991 0.98512E+00 -0.0065 36 CO3-2 0.30913E-04 -4.5099 0.11907E-04 -4.9242 0.38518E+00 -0.4143 37 CaCO3,aq 0.31247E-05 -5.5052 0.31247E-05 -5.5052 0.10000E+01 0.0000 38 Ca(HCO3)+ 0.16342E-05 -5.7867 0.12708E-05 -5.8959 0.77763E+00 -0.1092 39 CaCl+ 0.15255E-05 -5.8166 0.11862E-05 -5.9258 0.77763E+00 -0.1092 40 CaCl2,aq 0.10418E-07 -7.9822 0.10418E-07 -7.9822 0.10000E+01 0.0000 41 CaF+ 0.10937E-06 -6.9611 0.85050E-07 -7.0703 0.77763E+00 -0.1092 42 CaOH+ 0.12907E-06 -6.8892 0.10037E-06 -6.9984 0.77763E+00 -0.1092 43 CaSO4,aq 0.21549E-07 -7.6666 0.21549E-07 -7.6666 0.10000E+01 0.0000 44 HCl,aq 0.11423E-09 -9.9422 0.11423E-09 -9.9422 0.10000E+01 0.0000 61 HF,aq 0.37916E-07 -7.4212 0.37916E-07 -7.4212 0.10000E+01 0.0000 76 H2,aq 0.12026E-06 -6.9199 0.11847E-06 -6.9264 0.98512E+00 -0.0065 90 KCl,aq 0.32832E-05 -5.4837 0.32832E-05 -5.4837 0.10000E+01 0.0000 92 KOH,aq 0.13041E-06 -6.8847 0.13041E-06 -6.8847 0.10000E+01 0.0000 93 KSO4- 0.32120E-06 -6.4932 0.24879E-06 -6.6042 0.77455E+00 -0.1109 94 MgCO3,aq 0.51712E-08 -8.2864 0.51712E-08 -8.2864 0.10000E+01 0.0000 95 Mg(HCO3)+ 0.11295E-07 -7.9471 0.87835E-08 -8.0563 0.77763E+00 -0.1092 96 MgCl+ 0.91615E-08 -8.0380 0.71243E-08 -8.1473 0.77763E+00 -0.1092 97 MgF+ 0.27042E-08 -8.5680 0.21029E-08 -8.6772 0.77763E+00 -0.1092 98 MgOH+ 0.46760E-08 -8.3301 0.36362E-08 -8.4394 0.77763E+00 -0.1092 102 MnOH+ 0.39454E-10 -10.4039 0.30681E-10 -10.5131 0.77763E+00 -0.1092 107 MnCl+ 0.47783E-10 -10.3207 0.37157E-10 -10.4300 0.77763E+00 -0.1092 109 NaCl,aq 0.44644E-03 -3.3502 0.44644E-03 -3.3502 0.10000E+01 0.0000 110 NaF,aq 0.25202E-05 -5.5986 0.25202E-05 -5.5986 0.10000E+01 0.0000 111 NaOH,aq 0.10075E-05 -5.9967 0.10075E-05 -5.9967 0.10000E+01 0.0000 113 OH- 0.48637E-04 -4.3130 0.37530E-04 -4.4256 0.77163E+00 -0.1126 124 Pb(HS)2,aq 0.24149E-10 -10.6171 0.24149E-10 -10.6171 0.10000E+01 0.0000 126 H2S,aq 0.12109E-04 -4.9169 0.11929E-04 -4.9234 0.98512E+00 -0.0065 127 S2-2 0.30318E-10 -10.5183 0.11678E-10 -10.9326 0.38518E+00 -0.4143 135 HSO4- 0.84821E-10 -10.0715 0.66095E-10 -10.1798 0.77923E+00 -0.1083 164 Cu(HS)2- 0.16867E-07 -7.7730 0.13065E-07 -7.8839 0.77455E+00 -0.1109 166 CuH4S3-b 0.23350E-08 -8.6317 0.18086E-08 -8.7427 0.77455E+00 -0.1109 179 MgSO4,aq 0.52354E-09 -9.2810 0.52354E-09 -9.2810 0.10000E+01 0.0000 182 MnCO3,aq 0.37491E-08 -8.4261 0.37491E-08 -8.4261 0.10000E+01 0.0000 183 NaCO3- 0.79102E-05 -5.1018 0.61268E-05 -5.2128 0.77455E+00 -0.1109 184 NaHCO3,aq 0.24630E-04 -4.6085 0.24630E-04 -4.6085 0.10000E+01 0.0000 185 NaHS,aq 0.21949E-05 -5.6586 0.21949E-05 -5.6586 0.10000E+01 0.0000 186 NaSO4- 0.13719E-05 -5.8627 0.10626E-05 -5.9736 0.77455E+00 -0.1109 193 Zn(HS)2,aq 0.33380E-09 -9.4765 0.33380E-09 -9.4765 0.10000E+01 0.0000 Charge balance for all species = 0.3702E-07 Component Molality Aq.molality ppm log[A(N)/A(H+)**Z] (total) 1 H+ 0.2183441E-07 -.8780844E-04 -.8821569E-01 0.0000 2 H2O 0.1000000E+01 0.5550809E+02 0.9967188E+06 0.0000 3 Cl- 0.4688850E-01 0.4733978E-01 0.1672839E+04 6.3267 4 SO4-- 0.8750200E-05 0.1027660E-04 0.9839526E+00 10.0628 5 HCO3- 0.3202745E-02 0.3372861E-02 0.2051283E+03 5.1625 6 HS- 0.2862062E-03 0.3007402E-03 0.9913497E+01 4.1125 7 H4SiO4 0.1077191E-02 0.1186751E-02 0.1136913E+03 -2.9677 8 Al+++ 0.3151469E-21 0.6225807E-07 0.1674313E-02 0.8681 9 Ca++ 0.4829169E-04 0.5488118E-04 0.2192322E+01 10.7980 10 Mg++ 0.3291646E-06 0.3629830E-06 0.8795932E-02 8.6274 11 Fe++ 0.1872125E-15 0.4268111E-15 0.2375803E-10 -0.6167 12 K+ 0.5718749E-02 0.5722483E-02 0.2230275E+03 5.4145 13 Na+ 0.4514567E-01 0.4566446E-01 0.1046377E+04 6.3101 14 Mn++ 0.3816766E-09 0.4222993E-08 0.2312427E-03 5.6934 15 Zn++ 0.9242648E-14 0.3435153E-09 0.2238203E-04 1.0768 16 Cu+ 0.1838643E-15 0.1920231E-07 0.1216118E-02 -8.0801 17 Pb++ 0.1802499E-15 0.3187611E-10 0.6582775E-05 -0.6273 18 Hg++ 0.1121327E-39 0.2511682E-11 0.5021677E-06 -24.8348 19 F- 0.3731923E-03 0.3758625E-03 0.7117243E+01 4.2257 Component Tot moles Aq. moles Solid moles Gas moles 1 H+ 0.1822172E+00 -.5698146E-04 -.8907236E-05 0.1822831E+00 2 H2O 0.5550825E+02 0.3602082E+02 -.1416603E-01 0.1950160E+02 3 Cl- 0.3072017E-01 0.3072017E-01 0.0000000E+00 0.4519825E-11 4 SO4-- -.4257700E-02 0.6668787E-05 0.1002171E-08 -.4264370E-02 5 HCO3- 0.1832100E+00 0.2188748E-02 0.0000000E+00 0.1810213E+00 6 HS- 0.9985820E-02 0.1951591E-03 0.6213686E-07 0.9790599E-02 7 H4SiO4 0.7855346E-02 0.7701171E-03 0.7085229E-02 0.0000000E+00 8 Al+++ 0.2253680E-05 0.4040108E-07 0.2213279E-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 0.0000000E+00 0.0000000E+00 11 Fe++ 0.8017372E-08 0.2769702E-15 0.8017372E-08 0.0000000E+00 12 K+ 0.3715700E-02 0.3713487E-02 0.2213279E-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 0.0000000E+00 0.0000000E+00 15 Zn++ 0.1530000E-07 0.2229171E-09 0.1507708E-07 0.0000000E+00 16 Cu+ 0.6237410E-07 0.1246094E-07 0.4991316E-07 0.0000000E+00 17 Pb++ 0.1110000E-07 0.2068534E-10 0.1107931E-07 0.0000000E+00 18 Hg++ 0.4000000E-08 0.1629904E-11 0.0000000E+00 0.3998370E-08 19 F- 0.2439100E-03 0.2439082E-03 0.0000000E+00 0.1834423E-08 Chg. balance for solid moles: -.2289E-18 Mass of aqueous solution: 0.651062E+03 g Temperature = 104.00 C Pressure = 1.15 bar Mixer frac. = 0.0000000 Log Log Vol Gas or mineral Moles Moles Grams Grams Wt.% (cm3) H2O,gas 19.67 1.294 354.3 2.549 97.78 0.5268E+06 CO2,gas 0.1774 -0.751 7.807 0.892 2.154 4862. CH4,gas 0.3634E-02 -2.440 0.5830E-01 -1.234 0.1609E-01 100.2 H2,gas 0.2520E-02 -2.599 0.5090E-02 -2.293 0.1405E-02 68.58 H2S,gas 0.5526E-02 -2.258 0.1883 -0.725 0.5197E-01 149.6 CO,gas 0.7185E-08 -8.144 0.2013E-06 -6.696 0.5554E-07 0.1954E-03 SO2,gas 0.4865E-16 -16.313 0.3116E-14 -14.506 0.8600E-15 0.1323E-11 HF,gas 0.1834E-08 -8.737 0.3669E-07 -7.435 0.1012E-07 0.4989E-04 HCl,gas 0.4520E-11 -11.345 0.1648E-09 -9.783 0.4548E-10 0.1229E-06 Hg,gas 0.3998E-08 -8.398 0.8020E-06 -6.096 0.2213E-06 0.1087E-03 microcline 0.2213E-05 -5.655 0.6160E-03 -3.210 0.1446 0.2406E-03 quartz 0.7079E-02 -2.150 0.4253 -0.371 99.85 0.1606 bornite 0.8017E-08 -8.096 0.4023E-05 -5.395 0.9446E-03 0.7915E-06 chalcocite 0.4913E-08 -8.309 0.7819E-06 -6.107 0.1836E-03 0.1351E-06 galena 0.1108E-07 -7.955 0.2651E-05 -5.577 0.6224E-03 0.3489E-06 sphalerite 0.1508E-07 -7.822 0.1469E-05 -5.833 0.3449E-03 0.3592E-06 Partial press. Fugacity coef Log fugacity Gas or Mineral Mole fraction or activity Activity coef Log activity H2O,gas 0.9905E+00 0.1142E+01 0.9847 0.051 CO2,gas 0.8931E-02 0.1030E-01 1.0074 -1.984 CH4,gas 0.1830E-03 0.2110E-03 1.0134 -3.670 H2,gas 0.1269E-03 0.1463E-03 1.0006 -3.835 H2S,gas 0.2782E-03 0.3208E-03 0.9956 -3.496 CO,gas 0.3617E-09 0.4171E-09 1.0000 -9.380 SO2,gas 0.2449E-17 0.2824E-17 1.0000 -17.549 HF,gas 0.9236E-10 0.1065E-09 1.0000 -9.973 HCl,gas 0.2276E-12 0.2624E-12 1.0000 -12.581 Hg,gas 0.2013E-09 0.2321E-09 1.0000 -9.634 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 chalcocite 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: 35.741449 % Solid products produced: Mass = 0.425907 g Volume = 0.160847 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 0.01 0.01 0.00 0.000 -0.12637E-10 2 CO2,gas -8.32 -8.32 -0.00 -0.000 0.61312E-11 3 CH4,gas 2.94 2.94 -0.00 -0.000 0.91968E-11 4 H2,gas 6.29 6.29 0.00 0.000 -0.15328E-11 5 H2S,gas -7.86 -7.86 0.00 0.000 -0.30656E-11 6 CO,gas 1.47 1.47 -0.00 -0.000 0.76640E-12 7 SO2,gas -1.00 -1.00 0.00 0.000 -0.32572E-11 8 HF,gas -1.27 -1.27 -0.00 -0.000 0.11496E-11 9 HCl,gas 3.44 3.44 0.00 0.000 -0.38320E-11 10 Hg,gas -12.74 -12.74 0.00 0.000 -0.91968E-11 112 microcline -2.62 -2.62 -0.00 -0.000 0.76640E-12 143 quartz -2.97 -2.97 0.00 0.000 0.00000E+00 196 bornite -87.90 -87.90 0.00 0.000 -0.24525E-10 199 chalcocite -27.58 -27.58 0.00 0.000 -0.61312E-11 247 galena -12.05 -12.05 0.00 0.000 -0.61312E-11 258 sphalerite -10.34 -10.34 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 0.50 -1.72 -2.22 -0.171 0.38372E+04 16 albite -0.56 -1.72 -1.17 -0.090 0.20146E+04 20 analcite 3.12 1.24 -1.88 -0.209 0.32468E+04 24 anhydrite -5.42 -10.21 -4.79 -2.393 0.82582E+04 27 phlogopite 26.47 23.26 -3.20 -0.178 0.55306E+04 32 aragonite 0.89 0.43 -0.47 -0.155 0.80268E+03 33 brucite 12.40 8.63 -3.77 -0.755 0.65114E+04 34 calcite 0.74 0.43 -0.31 -0.103 0.53185E+03 35 carnegieite-low 8.77 4.21 -4.56 -0.652 0.78727E+04 37 carpholite-Mg 8.14 4.43 -3.71 -0.247 0.64011E+04 39 celadonite 5.11 3.04 -2.07 -0.122 0.35678E+04 41 chrysotile 23.50 19.95 -3.55 -0.296 0.61245E+04 48 coesite -2.36 -2.97 -0.61 -0.203 0.10517E+04 55 cristobalite -2.55 -2.97 -0.42 -0.139 0.72061E+03 58 cymrite-K 1.52 -2.62 -4.14 -0.345 0.71459E+04 60 diaspore 2.70 0.87 -1.83 -0.305 0.31552E+04 61 diamond -3.04 -5.58 -2.54 -0.724 0.43753E+04 62 diopside 15.91 13.49 -2.42 -0.242 0.41769E+04 64 dolomite,ordered 0.38 -1.32 -1.70 -0.283 0.29313E+04 78 gibbsite 3.91 0.87 -3.04 -0.434 0.52425E+04 82 graphite -3.49 -5.58 -2.09 -0.598 0.36133E+04 85 halite 1.56 -2.90 -4.46 -2.229 0.76925E+04 87 heulandite -6.17 -8.24 -2.07 -0.094 0.35780E+04 91 jadeite 4.03 1.24 -2.79 -0.279 0.48146E+04 93 kalsilite 7.36 3.31 -4.05 -0.578 0.69820E+04 94 kaolinite -1.62 -4.20 -2.58 -0.235 0.44556E+04 97 laumontite 2.51 0.66 -1.84 -0.123 0.31837E+04 98 lawsonite 9.20 6.60 -2.61 -0.174 0.44974E+04 99 leucite 3.91 0.35 -3.56 -0.356 0.61467E+04 101 lizardite 22.86 19.95 -2.91 -0.243 0.50291E+04 102 magnesite 0.59 -1.74 -2.33 -0.778 0.40280E+04 116 muscovite 2.09 -0.88 -2.98 -0.175 0.51413E+04 117 paragonite 3.72 0.01 -3.71 -0.218 0.64039E+04 118 nepheline 8.09 4.21 -3.88 -0.555 0.67015E+04 130 phlogopite-Na 29.00 24.16 -4.84 -0.269 0.83606E+04 132 prehnite 18.77 14.43 -4.35 -0.256 0.74994E+04 138 pyrite -21.15 -25.85 -4.70 -1.107 0.81178E+04 141 pyroxmangite 7.27 2.73 -4.55 -0.909 0.78475E+04 142 pyrophyllite -6.45 -10.13 -3.69 -0.230 0.63597E+04 148 rhodochrosite -1.04 -4.68 -3.64 -1.213 0.62819E+04 149 rhodonite 7.32 2.73 -4.59 -0.918 0.79250E+04 150 sanidine -1.42 -2.62 -1.20 -0.092 0.20678E+04 160 stilbite -7.76 -8.24 -0.48 -0.023 0.83616E+03 162 stilpnomelane-Mg 26.57 23.84 -2.73 -0.081 0.47109E+04 166 sulfur -9.12 -13.82 -4.70 -1.445 0.81040E+04 168 talc 16.13 14.01 -2.12 -0.125 0.36613E+04 176 tridymite -2.61 -2.97 -0.35 -0.118 0.60931E+03 185 wairakite 3.51 0.66 -2.85 -0.167 0.49129E+04 186 walstromite 11.35 7.83 -3.52 -0.704 0.60745E+04 187 wollastonite 10.31 7.83 -2.48 -0.497 0.42843E+04 188 pseudo-wollastonite 10.84 7.83 -3.01 -0.602 0.51981E+04 198 chalcedony -2.78 -2.97 -0.18 -0.062 0.31917E+03 200 covellite -19.74 -20.70 -0.96 -0.367 0.16621E+04 201 dawsonite 1.54 -3.19 -4.73 -0.591 0.81633E+04 202 montmorillonite-Ca -2.58 -5.79 -3.21 -0.199 0.55425E+04 203 montmorillonite-K -2.51 -5.79 -3.28 -0.201 0.56594E+04 204 montmorillonite-Mg -2.77 -6.15 -3.38 -0.209 0.58307E+04 205 montmorillonite-Na -2.32 -5.49 -3.18 -0.194 0.54814E+04 227 tobermorite 9.74 6.03 -3.72 -1.014 0.64136E+04 233 alabandite -1.05 -5.73 -4.68 -1.560 0.80770E+04 238 boehmite 4.20 0.87 -3.33 -0.556 0.57539E+04 240 chalcopyrite -28.43 -32.74 -4.31 -0.802 0.74400E+04 241 cinnabar -31.53 -36.26 -4.72 -1.574 0.81512E+04 242 metacinnabar -31.31 -36.26 -4.95 -1.649 0.85360E+04 243 copper,native -2.95 -6.88 -3.93 -1.368 0.67855E+04 244 dolomite,disordered 1.07 -1.32 -2.39 -0.398 0.41175E+04 246 fluorite -9.98 -11.82 -1.83 -0.612 0.31665E+04 255 silica-amorphous -2.09 -2.97 -0.88 -0.293 0.15160E+04 259 wurtzite -8.53 -10.34 -1.82 -0.605 0.31329E+04 261 an20ab80 1.77 -0.06 -1.83 -0.141 0.31588E+04 262 an25ab75 2.38 0.36 -2.02 -0.156 0.34936E+04 263 an30ab70 3.00 0.77 -2.22 -0.171 0.38369E+04 Calculations done for 104.0000 Deg. C; 1.1529 bar Enthalpies: Pure water 1.8894 kcal/mole H2O,gas 11.6048 kcal/mole CO2,gas 0.9618 kcal/mole CH4,gas 0.9240 kcal/mole Current solution 68.0568 Gas 228.4738 kcal Total current enthalpy 296.5306 kcal Starting enthalpy 296.5306 kcal Temperature changed by -2.000 degrees to 102.000 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 = 7 Loop limit = 200 Temperature = 102.00 C Pressure = 1.07 bar Mixer fraction = 0.0000000 Total current enthalpy = 296.5306 KCAL Water: Moles liquid = 0.3587E+02 kg liquid = 0.6461E+00 Moles total = 0.5551E+02 kg total = 0.1000E+01 Activity = 1.0000 Stoichiometric ionic strength = .5173842E-01 Osmotic coef. = 0.9351 True ionic strength = .5128239E-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+ 0.20777E-07 -7.6824 0.16302E-07 -7.7878 0.78460E+00 -0.1054 2 H2O 0.10000E+01 -0.0000 0.10000E+01 -0.0000 3 Cl- 0.47098E-01 -1.3270 0.36511E-01 -1.4376 0.77522E+00 -0.1106 4 SO4-- 0.93206E-05 -5.0306 0.36181E-05 -5.4415 0.38818E+00 -0.4110 5 HCO3- 0.32208E-02 -2.4920 0.25044E-02 -2.6013 0.77755E+00 -0.1093 6 HS- 0.28088E-03 -3.5515 0.21781E-03 -3.6619 0.77545E+00 -0.1104 7 H4SiO4 0.10405E-02 -2.9828 0.10405E-02 -2.9828 0.10000E+01 0.0000 8 Al+++ 0.31081E-21 -21.5075 0.36787E-22 -22.4343 0.11836E+00 -0.9268 9 Ca++ 0.48564E-04 -4.3137 0.18566E-04 -4.7313 0.38230E+00 -0.4176 10 Mg++ 0.33123E-06 -6.4799 0.12545E-06 -6.9015 0.37873E+00 -0.4217 11 Fe++ 0.16797E-15 -15.7748 0.63760E-16 -16.1955 0.37958E+00 -0.4207 12 K+ 0.57435E-02 -2.2408 0.44678E-02 -2.3499 0.77789E+00 -0.1091 13 Na+ 0.45347E-01 -1.3435 0.35138E-01 -1.4542 0.77487E+00 -0.1108 14 Mn++ 0.36463E-09 -9.4382 0.13864E-09 -9.8581 0.38022E+00 -0.4200 15 Zn++ 0.85819E-14 -14.0664 0.32575E-14 -14.4871 0.37958E+00 -0.4207 16 Cu+ 0.15203E-15 -15.8181 0.11779E-15 -15.9289 0.77479E+00 -0.1108 17 Pb++ 0.15487E-15 -15.8100 0.59573E-16 -16.2250 0.38465E+00 -0.4149 18 Hg++ 0.85803E-40 -40.0665 0.32908E-40 -40.4827 0.38353E+00 -0.4162 19 F- 0.37485E-03 -3.4261 0.28938E-03 -3.5385 0.77199E+00 -0.1124 21 HSiO3- 0.75783E-04 -4.1204 0.58748E-04 -4.2310 0.77522E+00 -0.1106 22 Ca(HSiO3)+ 0.33460E-07 -7.4755 0.26040E-07 -7.5844 0.77824E+00 -0.1089 23 Mg(HSiO3)+ 0.27897E-09 -9.5544 0.21710E-09 -9.6633 0.77824E+00 -0.1089 24 NaHSiO3,aq 0.33192E-04 -4.4790 0.33192E-04 -4.4790 0.10000E+01 0.0000 27 HAlO2,aq 0.30514E-09 -9.5155 0.30514E-09 -9.5155 0.10000E+01 0.0000 28 AlO2- 0.56163E-07 -7.2505 0.43379E-07 -7.3627 0.77238E+00 -0.1122 29 CH4,aq 0.14715E-06 -6.8322 0.14496E-06 -6.8387 0.98512E+00 -0.0065 35 CO2,aq 0.95518E-04 -4.0199 0.94097E-04 -4.0264 0.98512E+00 -0.0065 36 CO3-2 0.32667E-04 -4.4859 0.12626E-04 -4.8987 0.38651E+00 -0.4128 37 CaCO3,aq 0.31737E-05 -5.4984 0.31737E-05 -5.4984 0.10000E+01 0.0000 38 Ca(HCO3)+ 0.16011E-05 -5.7956 0.12460E-05 -5.9045 0.77824E+00 -0.1089 39 CaCl+ 0.14863E-05 -5.8279 0.11567E-05 -5.9368 0.77824E+00 -0.1089 40 CaCl2,aq 0.10227E-07 -7.9902 0.10227E-07 -7.9902 0.10000E+01 0.0000 41 CaF+ 0.10651E-06 -6.9726 0.82891E-07 -7.0815 0.77824E+00 -0.1089 42 CaOH+ 0.12017E-06 -6.9202 0.93524E-07 -7.0291 0.77824E+00 -0.1089 43 CaSO4,aq 0.22499E-07 -7.6478 0.22499E-07 -7.6478 0.10000E+01 0.0000 44 HCl,aq 0.10781E-09 -9.9674 0.10781E-09 -9.9674 0.10000E+01 0.0000 61 HF,aq 0.34741E-07 -7.4592 0.34741E-07 -7.4592 0.10000E+01 0.0000 76 H2,aq 0.10728E-06 -6.9695 0.10569E-06 -6.9760 0.98512E+00 -0.0065 90 KCl,aq 0.31710E-05 -5.4988 0.31710E-05 -5.4988 0.10000E+01 0.0000 92 KOH,aq 0.12577E-06 -6.9004 0.12577E-06 -6.9004 0.10000E+01 0.0000 93 KSO4- 0.33556E-06 -6.4742 0.26013E-06 -6.5848 0.77522E+00 -0.1106 94 MgCO3,aq 0.53269E-08 -8.2735 0.53269E-08 -8.2735 0.10000E+01 0.0000 95 Mg(HCO3)+ 0.11073E-07 -7.9557 0.86172E-08 -8.0646 0.77824E+00 -0.1089 96 MgCl+ 0.90243E-08 -8.0446 0.70230E-08 -8.1535 0.77824E+00 -0.1089 97 MgF+ 0.26484E-08 -8.5770 0.20611E-08 -8.6859 0.77824E+00 -0.1089 98 MgOH+ 0.44238E-08 -8.3542 0.34427E-08 -8.4631 0.77824E+00 -0.1089 102 MnOH+ 0.35920E-10 -10.4447 0.27954E-10 -10.5536 0.77824E+00 -0.1089 107 MnCl+ 0.43306E-10 -10.3635 0.33702E-10 -10.4723 0.77824E+00 -0.1089 109 NaCl,aq 0.44132E-03 -3.3552 0.44132E-03 -3.3552 0.10000E+01 0.0000 110 NaF,aq 0.24840E-05 -5.6049 0.24840E-05 -5.6049 0.10000E+01 0.0000 111 NaOH,aq 0.98154E-06 -6.0081 0.98154E-06 -6.0081 0.10000E+01 0.0000 113 OH- 0.47493E-04 -4.3234 0.36683E-04 -4.4355 0.77238E+00 -0.1122 124 Pb(HS)2,aq 0.21336E-10 -10.6709 0.21336E-10 -10.6709 0.10000E+01 0.0000 126 H2S,aq 0.11383E-04 -4.9437 0.11214E-04 -4.9502 0.98512E+00 -0.0065 127 S2-2 0.29126E-10 -10.5357 0.11257E-10 -10.9486 0.38651E+00 -0.4128 135 HSO4- 0.80777E-10 -10.0927 0.62992E-10 -10.2007 0.77983E+00 -0.1080 164 Cu(HS)2- 0.15772E-07 -7.8021 0.12227E-07 -7.9127 0.77522E+00 -0.1106 166 CuH4S3-b 0.23653E-08 -8.6261 0.18336E-08 -8.7367 0.77522E+00 -0.1106 179 MgSO4,aq 0.54267E-09 -9.2655 0.54267E-09 -9.2655 0.10000E+01 0.0000 182 MnCO3,aq 0.37929E-08 -8.4210 0.37929E-08 -8.4210 0.10000E+01 0.0000 183 NaCO3- 0.82896E-05 -5.0815 0.64262E-05 -5.1920 0.77522E+00 -0.1106 184 NaHCO3,aq 0.24299E-04 -4.6144 0.24299E-04 -4.6144 0.10000E+01 0.0000 185 NaHS,aq 0.21133E-05 -5.6750 0.21133E-05 -5.6750 0.10000E+01 0.0000 186 NaSO4- 0.14503E-05 -5.8385 0.11243E-05 -5.9491 0.77522E+00 -0.1106 193 Zn(HS)2,aq 0.30401E-09 -9.5171 0.30401E-09 -9.5171 0.10000E+01 0.0000 Charge balance for all species = 0.3718E-07 Component Molality Aq.molality ppm log[A(N)/A(H+)**Z] (total) 1 H+ 0.2077692E-07 -.9516632E-04 -.9560674E-01 0.0000 2 H2O 0.1000000E+01 0.5550809E+02 0.9967090E+06 0.0000 3 Cl- 0.4709753E-01 0.4754353E-01 0.1680022E+04 6.3502 4 SO4-- 0.9320588E-05 0.1095560E-04 0.1048954E+01 10.1340 5 HCO3- 0.3220832E-02 0.3386548E-02 0.2059587E+03 5.1865 6 HS- 0.2808790E-03 0.2945890E-03 0.9710632E+01 4.1258 7 H4SiO4 0.1040476E-02 0.1149484E-02 0.1101201E+03 -2.9828 8 Al+++ 0.3108071E-21 0.5646837E-07 0.1518595E-02 0.9290 9 Ca++ 0.4856351E-04 0.5511739E-04 0.2201736E+01 10.8443 10 Mg++ 0.3312276E-06 0.3645453E-06 0.8833702E-02 8.6740 11 Fe++ 0.1679748E-15 0.3739420E-15 0.2081491E-10 -0.6199 12 K+ 0.5743475E-02 0.5747107E-02 0.2239849E+03 5.4379 13 Na+ 0.4534687E-01 0.4586100E-01 0.1050871E+04 6.3335 14 Mn++ 0.3646278E-09 0.4241169E-08 0.2322357E-03 5.7174 15 Zn++ 0.8581921E-14 0.3126721E-09 0.2037221E-04 1.0884 16 Cu+ 0.1520253E-15 0.1813740E-07 0.1148664E-02 -8.1411 17 Pb++ 0.1548746E-15 0.2824532E-10 0.5832917E-05 -0.6494 18 Hg++ 0.8580280E-40 0.2439723E-11 0.4877760E-06 -24.9072 19 F- 0.3748526E-03 0.3774805E-03 0.7147809E+01 4.2492 Component Tot moles Aq. moles Solid moles Gas moles 1 H+ 0.1822172E+00 -.6149155E-04 -.8923286E-05 0.1822876E+00 2 H2O 0.5550825E+02 0.3586646E+02 -.1422079E-01 0.1965602E+02 3 Cl- 0.3072017E-01 0.3072017E-01 0.0000000E+00 0.4044042E-11 4 SO4-- -.4257700E-02 0.7078940E-05 0.1002171E-08 -.4264780E-02 5 HCO3- 0.1832100E+00 0.2188212E-02 0.0000000E+00 0.1810218E+00 6 HS- 0.9985820E-02 0.1903481E-03 0.6253093E-07 0.9795409E-02 7 H4SiO4 0.7855346E-02 0.7427370E-03 0.7112609E-02 0.0000000E+00 8 Al+++ 0.2253680E-05 0.3648694E-07 0.2217193E-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 0.0000000E+00 0.0000000E+00 11 Fe++ 0.8017372E-08 0.2416219E-15 0.8017372E-08 0.0000000E+00 12 K+ 0.3715700E-02 0.3713483E-02 0.2217193E-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 0.0000000E+00 0.0000000E+00 15 Zn++ 0.1530000E-07 0.2020325E-09 0.1509797E-07 0.0000000E+00 16 Cu+ 0.6237410E-07 0.1171945E-07 0.5065465E-07 0.0000000E+00 17 Pb++ 0.1110000E-07 0.1825066E-10 0.1108175E-07 0.0000000E+00 18 Hg++ 0.4000000E-08 0.1576423E-11 0.0000000E+00 0.3998424E-08 19 F- 0.2439100E-03 0.2439083E-03 0.0000000E+00 0.1680777E-08 Chg. balance for solid moles: -.9421E-17 Mass of aqueous solution: 0.648278E+03 g Temperature = 102.00 C Pressure = 1.07 bar Mixer frac. = 0.0000000 Log Log Vol Gas or mineral Moles Moles Grams Grams Wt.% (cm3) H2O,gas 19.83 1.297 357.1 2.553 97.79 0.5672E+06 CO2,gas 0.1774 -0.751 7.806 0.892 2.138 5187. CH4,gas 0.3652E-02 -2.437 0.5858E-01 -1.232 0.1604E-01 107.4 H2,gas 0.2452E-02 -2.611 0.4952E-02 -2.305 0.1356E-02 71.22 H2S,gas 0.5531E-02 -2.257 0.1885 -0.725 0.5162E-01 159.9 CO,gas 0.6461E-08 -8.190 0.1810E-06 -6.742 0.4957E-07 0.1876E-03 SO2,gas 0.4071E-16 -16.390 0.2608E-14 -14.584 0.7141E-15 0.1182E-11 HF,gas 0.1681E-08 -8.774 0.3362E-07 -7.473 0.9206E-08 0.4880E-04 HCl,gas 0.4044E-11 -11.393 0.1474E-09 -9.831 0.4038E-10 0.1174E-06 Hg,gas 0.3998E-08 -8.398 0.8020E-06 -6.096 0.2196E-06 0.1161E-03 microcline 0.2217E-05 -5.654 0.6171E-03 -3.210 0.1443 0.2411E-03 quartz 0.7106E-02 -2.148 0.4269 -0.370 99.85 0.1612 bornite 0.8017E-08 -8.096 0.4023E-05 -5.395 0.9410E-03 0.7915E-06 chalcocite 0.5284E-08 -8.277 0.8409E-06 -6.075 0.1967E-03 0.1453E-06 galena 0.1108E-07 -7.955 0.2651E-05 -5.577 0.6201E-03 0.3489E-06 sphalerite 0.1510E-07 -7.821 0.1471E-05 -5.832 0.3441E-03 0.3597E-06 Partial press. Fugacity coef Log fugacity Gas or Mineral Mole fraction or activity Activity coef Log activity H2O,gas 0.9906E+00 0.1064E+01 0.9855 0.021 CO2,gas 0.8861E-02 0.9520E-02 1.0071 -2.018 CH4,gas 0.1824E-03 0.1960E-03 1.0127 -3.702 H2,gas 0.1225E-03 0.1316E-03 1.0006 -3.881 H2S,gas 0.2763E-03 0.2969E-03 0.9959 -3.529 CO,gas 0.3228E-09 0.3468E-09 1.0000 -9.460 SO2,gas 0.2034E-17 0.2185E-17 1.0000 -17.661 HF,gas 0.8397E-10 0.9021E-10 1.0000 -10.045 HCl,gas 0.2020E-12 0.2171E-12 1.0000 -12.663 Hg,gas 0.1998E-09 0.2146E-09 1.0000 -9.668 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 chalcocite 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: 36.015803 % Solid products produced: Mass = 0.427552 g Volume = 0.161469 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 0.01 0.01 0.00 0.000 -0.63861E-09 2 CO2,gas -8.34 -8.34 -0.00 -0.000 0.32323E-09 3 CH4,gas 2.91 2.91 -0.00 -0.000 0.55650E-09 4 H2,gas 6.30 6.30 -0.00 -0.000 0.27444E-10 5 H2S,gas -7.89 -7.89 0.00 0.000 -0.17534E-09 6 CO,gas 1.49 1.49 -0.00 -0.000 0.38117E-12 7 SO2,gas -0.93 -0.93 0.00 0.000 -0.70516E-11 8 HF,gas -1.25 -1.25 0.00 0.000 -0.15247E-11 9 HCl,gas 3.47 3.47 0.00 0.000 -0.76233E-12 10 Hg,gas -12.82 -12.82 -0.00 -0.000 0.12197E-10 112 microcline -2.58 -2.58 -0.00 -0.000 0.76233E-12 143 quartz -2.98 -2.98 0.00 0.000 0.00000E+00 196 bornite -88.32 -88.32 -0.00 -0.000 0.24395E-10 199 chalcocite -27.73 -27.73 -0.00 -0.000 0.60987E-11 247 galena -12.10 -12.10 0.00 0.000 -0.30493E-11 258 sphalerite -10.36 -10.36 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 0.57 -1.69 -2.25 -0.173 0.38670E+04 16 albite -0.50 -1.69 -1.19 -0.091 0.20362E+04 20 analcite 3.20 1.30 -1.90 -0.211 0.32636E+04 24 anhydrite -5.39 -10.17 -4.79 -2.393 0.82161E+04 27 phlogopite 26.72 23.44 -3.28 -0.182 0.56343E+04 32 aragonite 0.92 0.46 -0.46 -0.155 0.79734E+03 33 brucite 12.48 8.67 -3.81 -0.761 0.65339E+04 34 calcite 0.76 0.46 -0.31 -0.103 0.52789E+03 35 carnegieite-low 8.88 4.28 -4.60 -0.657 0.78919E+04 37 carpholite-Mg 8.32 4.57 -3.76 -0.251 0.64506E+04 39 celadonite 5.19 3.11 -2.08 -0.123 0.35766E+04 41 chrysotile 23.67 20.06 -3.61 -0.301 0.62035E+04 48 coesite -2.37 -2.98 -0.61 -0.204 0.10509E+04 55 cristobalite -2.56 -2.98 -0.42 -0.141 0.72398E+03 58 cymrite-K 1.58 -2.58 -4.16 -0.347 0.71415E+04 60 diaspore 2.77 0.93 -1.84 -0.307 0.31668E+04 61 diamond -3.07 -5.61 -2.53 -0.724 0.43501E+04 62 diopside 16.03 13.55 -2.47 -0.247 0.42482E+04 64 dolomite,ordered 0.44 -1.26 -1.70 -0.284 0.29251E+04 78 gibbsite 3.98 0.93 -3.05 -0.436 0.52417E+04 82 graphite -3.51 -5.61 -2.09 -0.598 0.35900E+04 85 halite 1.56 -2.89 -4.46 -2.228 0.76499E+04 87 heulandite -6.06 -8.18 -2.12 -0.096 0.36363E+04 91 jadeite 4.11 1.30 -2.81 -0.281 0.48210E+04 93 kalsilite 7.45 3.38 -4.07 -0.581 0.69845E+04 94 kaolinite -1.51 -4.11 -2.60 -0.236 0.44654E+04 97 laumontite 2.65 0.77 -1.88 -0.125 0.32223E+04 98 lawsonite 9.38 6.74 -2.64 -0.176 0.45341E+04 99 leucite 3.99 0.40 -3.59 -0.359 0.61587E+04 101 lizardite 23.03 20.06 -2.97 -0.248 0.51026E+04 102 magnesite 0.63 -1.72 -2.35 -0.782 0.40268E+04 116 muscovite 2.29 -0.72 -3.01 -0.177 0.51703E+04 117 paragonite 3.93 0.17 -3.76 -0.221 0.64506E+04 118 nepheline 8.20 4.28 -3.92 -0.559 0.67223E+04 130 phlogopite-Na 29.28 24.34 -4.94 -0.275 0.84854E+04 132 prehnite 19.02 14.60 -4.43 -0.260 0.75983E+04 138 pyrite -21.21 -25.91 -4.70 -1.106 0.80720E+04 141 pyroxmangite 7.33 2.73 -4.59 -0.919 0.78836E+04 142 pyrophyllite -6.35 -10.07 -3.72 -0.233 0.63865E+04 148 rhodochrosite -1.02 -4.67 -3.66 -1.218 0.62751E+04 149 rhodonite 7.37 2.73 -4.64 -0.928 0.79616E+04 150 sanidine -1.38 -2.58 -1.20 -0.093 0.20678E+04 160 stilbite -7.70 -8.18 -0.48 -0.023 0.82253E+03 162 stilpnomelane-Mg 26.92 24.08 -2.84 -0.085 0.48733E+04 166 sulfur -9.14 -13.84 -4.70 -1.446 0.80673E+04 168 talc 16.28 14.09 -2.19 -0.129 0.37562E+04 176 tridymite -2.63 -2.98 -0.36 -0.119 0.61115E+03 185 wairakite 3.67 0.77 -2.90 -0.171 0.49843E+04 186 walstromite 11.42 7.86 -3.56 -0.712 0.61081E+04 187 wollastonite 10.38 7.86 -2.52 -0.503 0.43175E+04 188 pseudo-wollastonite 10.91 7.86 -3.05 -0.610 0.52336E+04 198 chalcedony -2.80 -2.98 -0.19 -0.062 0.31923E+03 200 covellite -19.83 -20.79 -0.95 -0.364 0.16387E+04 201 dawsonite 1.59 -3.13 -4.72 -0.590 0.81017E+04 202 montmorillonite-Ca -2.48 -5.73 -3.25 -0.201 0.55825E+04 203 montmorillonite-K -2.41 -5.72 -3.31 -0.203 0.56842E+04 204 montmorillonite-Mg -2.67 -6.09 -3.42 -0.212 0.58717E+04 205 montmorillonite-Na -2.22 -5.43 -3.21 -0.197 0.55110E+04 227 tobermorite 9.77 6.05 -3.72 -1.016 0.63936E+04 233 alabandite -1.02 -5.73 -4.71 -1.571 0.80891E+04 238 boehmite 4.29 0.93 -3.36 -0.561 0.57732E+04 240 chalcopyrite -28.53 -32.86 -4.33 -0.805 0.74290E+04 241 cinnabar -31.68 -36.36 -4.68 -1.560 0.80314E+04 242 metacinnabar -31.45 -36.36 -4.90 -1.635 0.84194E+04 243 copper,native -2.99 -6.95 -3.96 -1.377 0.67981E+04 244 dolomite,disordered 1.14 -1.26 -2.40 -0.400 0.41167E+04 246 fluorite -9.97 -11.81 -1.83 -0.611 0.31482E+04 255 silica-amorphous -2.10 -2.98 -0.89 -0.295 0.15203E+04 259 wurtzite -8.54 -10.36 -1.83 -0.608 0.31331E+04 261 an20ab80 1.86 -0.00 -1.86 -0.143 0.31979E+04 262 an25ab75 2.48 0.42 -2.06 -0.158 0.35368E+04 263 an30ab70 3.10 0.84 -2.26 -0.174 0.38842E+04 Calculations done for 102.0000 Deg. C; 1.0744 bar Enthalpies: Pure water 1.8551 kcal/mole H2O,gas 11.5913 kcal/mole CO2,gas 0.9399 kcal/mole CH4,gas 0.9026 kcal/mole Current solution 66.5375 Gas 229.9931 kcal Total current enthalpy 296.5306 kcal Starting enthalpy 296.5306 kcal Temperature changed by -2.000 degrees to 100.000 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 = 7 Loop limit = 200 Temperature = 100.00 C Pressure = 1.00 bar Mixer fraction = 0.0000000 Total current enthalpy = 296.5306 KCAL Water: Moles liquid = 0.3571E+02 kg liquid = 0.6434E+00 Moles total = 0.5551E+02 kg total = 0.1000E+01 Activity = 1.0000 Stoichiometric ionic strength = .5195672E-01 Osmotic coef. = 0.9353 True ionic strength = .5151066E-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+ 0.19757E-07 -7.7043 0.15515E-07 -7.8092 0.78532E+00 -0.1050 2 H2O 0.10000E+01 -0.0000 0.10000E+01 -0.0000 3 Cl- 0.47306E-01 -1.3251 0.36704E-01 -1.4353 0.77588E+00 -0.1102 4 SO4-- 0.99271E-05 -5.0032 0.38665E-05 -5.4127 0.38949E+00 -0.4095 5 HCO3- 0.32386E-02 -2.4896 0.25202E-02 -2.5986 0.77817E+00 -0.1089 6 HS- 0.27553E-03 -3.5598 0.21384E-03 -3.6699 0.77611E+00 -0.1101 7 H4SiO4 0.10046E-02 -2.9980 0.10046E-02 -2.9980 0.10000E+01 0.0000 8 Al+++ 0.30629E-21 -21.5139 0.36539E-22 -22.4372 0.11929E+00 -0.9234 9 Ca++ 0.48831E-04 -4.3113 0.18733E-04 -4.7274 0.38363E+00 -0.4161 10 Mg++ 0.33326E-06 -6.4772 0.12667E-06 -6.8973 0.38010E+00 -0.4201 11 Fe++ 0.15062E-15 -15.8221 0.57378E-16 -16.2413 0.38094E+00 -0.4191 12 K+ 0.57681E-02 -2.2390 0.44905E-02 -2.3477 0.77850E+00 -0.1087 13 Na+ 0.45547E-01 -1.3415 0.35323E-01 -1.4519 0.77552E+00 -0.1104 14 Mn++ 0.34799E-09 -9.4584 0.13278E-09 -9.8769 0.38157E+00 -0.4184 15 Zn++ 0.79583E-14 -14.0992 0.30316E-14 -14.5183 0.38094E+00 -0.4191 16 Cu+ 0.12540E-15 -15.9017 0.97238E-16 -16.0122 0.77544E+00 -0.1105 17 Pb++ 0.13278E-15 -15.8769 0.51247E-16 -16.2903 0.38596E+00 -0.4135 18 Hg++ 0.65397E-40 -40.1844 0.25167E-40 -40.5992 0.38484E+00 -0.4147 19 F- 0.37651E-03 -3.4242 0.29094E-03 -3.5362 0.77274E+00 -0.1120 21 HSiO3- 0.74722E-04 -4.1266 0.57975E-04 -4.2368 0.77588E+00 -0.1102 22 Ca(HSiO3)+ 0.32241E-07 -7.4916 0.25110E-07 -7.6002 0.77884E+00 -0.1086 23 Mg(HSiO3)+ 0.27131E-09 -9.5665 0.21131E-09 -9.6751 0.77884E+00 -0.1086 24 NaHSiO3,aq 0.33674E-04 -4.4727 0.33674E-04 -4.4727 0.10000E+01 0.0000 27 HAlO2,aq 0.27763E-09 -9.5565 0.27763E-09 -9.5565 0.10000E+01 0.0000 28 AlO2- 0.50870E-07 -7.2935 0.39329E-07 -7.4053 0.77312E+00 -0.1118 29 CH4,aq 0.13637E-06 -6.8653 0.13434E-06 -6.8718 0.98512E+00 -0.0065 35 CO2,aq 0.89683E-04 -4.0473 0.88348E-04 -4.0538 0.98512E+00 -0.0065 36 CO3-2 0.34517E-04 -4.4620 0.13387E-04 -4.8733 0.38783E+00 -0.4114 37 CaCO3,aq 0.32232E-05 -5.4917 0.32232E-05 -5.4917 0.10000E+01 0.0000 38 Ca(HCO3)+ 0.15689E-05 -5.8044 0.12219E-05 -5.9130 0.77884E+00 -0.1086 39 CaCl+ 0.14483E-05 -5.8391 0.11280E-05 -5.9477 0.77884E+00 -0.1086 40 CaCl2,aq 0.10047E-07 -7.9980 0.10047E-07 -7.9980 0.10000E+01 0.0000 41 CaF+ 0.10375E-06 -6.9840 0.80801E-07 -7.0926 0.77884E+00 -0.1086 42 CaOH+ 0.11179E-06 -6.9516 0.87066E-07 -7.0602 0.77884E+00 -0.1086 43 CaSO4,aq 0.23492E-07 -7.6291 0.23492E-07 -7.6291 0.10000E+01 0.0000 44 HCl,aq 0.10173E-09 -9.9925 0.10173E-09 -9.9925 0.10000E+01 0.0000 61 HF,aq 0.31810E-07 -7.4974 0.31810E-07 -7.4974 0.10000E+01 0.0000 76 H2,aq 0.95612E-07 -7.0195 0.94190E-07 -7.0260 0.98512E+00 -0.0065 90 KCl,aq 0.30619E-05 -5.5140 0.30619E-05 -5.5140 0.10000E+01 0.0000 92 KOH,aq 0.12121E-06 -6.9165 0.12121E-06 -6.9165 0.10000E+01 0.0000 93 KSO4- 0.35060E-06 -6.4552 0.27202E-06 -6.5654 0.77588E+00 -0.1102 94 MgCO3,aq 0.54872E-08 -8.2607 0.54872E-08 -8.2607 0.10000E+01 0.0000 95 Mg(HCO3)+ 0.10856E-07 -7.9643 0.84549E-08 -8.0729 0.77884E+00 -0.1086 96 MgCl+ 0.88907E-08 -8.0511 0.69244E-08 -8.1596 0.77884E+00 -0.1086 97 MgF+ 0.25944E-08 -8.5860 0.20206E-08 -8.6945 0.77884E+00 -0.1086 98 MgOH+ 0.41828E-08 -8.3785 0.32577E-08 -8.4871 0.77884E+00 -0.1086 102 MnOH+ 0.32654E-10 -10.4861 0.25432E-10 -10.5946 0.77884E+00 -0.1086 107 MnCl+ 0.39210E-10 -10.4066 0.30539E-10 -10.5152 0.77884E+00 -0.1086 109 NaCl,aq 0.43628E-03 -3.3602 0.43628E-03 -3.3602 0.10000E+01 0.0000 110 NaF,aq 0.24483E-05 -5.6111 0.24483E-05 -5.6111 0.10000E+01 0.0000 111 NaOH,aq 0.95564E-06 -6.0197 0.95564E-06 -6.0197 0.10000E+01 0.0000 113 OH- 0.46344E-04 -4.3340 0.35829E-04 -4.4458 0.77312E+00 -0.1118 124 Pb(HS)2,aq 0.18830E-10 -10.7251 0.18830E-10 -10.7251 0.10000E+01 0.0000 126 H2S,aq 0.10699E-04 -4.9706 0.10540E-04 -4.9771 0.98512E+00 -0.0065 127 S2-2 0.27960E-10 -10.5535 0.10844E-10 -10.9648 0.38783E+00 -0.4114 135 HSO4- 0.76868E-10 -10.1143 0.59990E-10 -10.2219 0.78043E+00 -0.1077 164 Cu(HS)2- 0.14731E-07 -7.8318 0.11429E-07 -7.9420 0.77588E+00 -0.1102 166 CuH4S3-b 0.23937E-08 -8.6209 0.18572E-08 -8.7311 0.77588E+00 -0.1102 179 MgSO4,aq 0.56233E-09 -9.2500 0.56233E-09 -9.2500 0.10000E+01 0.0000 182 MnCO3,aq 0.38354E-08 -8.4162 0.38354E-08 -8.4162 0.10000E+01 0.0000 183 NaCO3- 0.86883E-05 -5.0611 0.67411E-05 -5.1713 0.77588E+00 -0.1102 184 NaHCO3,aq 0.23960E-04 -4.6205 0.23960E-04 -4.6205 0.10000E+01 0.0000 185 NaHS,aq 0.20330E-05 -5.6919 0.20330E-05 -5.6919 0.10000E+01 0.0000 186 NaSO4- 0.15331E-05 -5.8144 0.11895E-05 -5.9246 0.77588E+00 -0.1102 193 Zn(HS)2,aq 0.27660E-09 -9.5581 0.27660E-09 -9.5581 0.10000E+01 0.0000 Charge balance for all species = 0.3733E-07 Component Molality Aq.molality ppm log[A(N)/A(H+)**Z] (total) 1 H+ 0.1975677E-07 -.1021950E-03 -.1026669E+00 0.0000 2 H2O 0.1000000E+01 0.5550810E+02 0.9966992E+06 0.0000 3 Cl- 0.4730578E-01 0.4774660E-01 0.1687181E+04 6.3739 4 SO4-- 0.9927085E-05 0.1167468E-04 0.1117792E+01 10.2058 5 HCO3- 0.3238613E-02 0.3400410E-02 0.2067996E+03 5.2107 6 HS- 0.2755301E-03 0.2884602E-03 0.9508512E+01 4.1393 7 H4SiO4 0.1004612E-02 0.1113040E-02 0.1066277E+03 -2.9980 8 Al+++ 0.3062919E-21 0.5114809E-07 0.1375504E-02 0.9905 9 Ca++ 0.4883106E-04 0.5535281E-04 0.2211118E+01 10.8911 10 Mg++ 0.3332578E-06 0.3661023E-06 0.8871344E-02 8.7212 11 Fe++ 0.1506240E-15 0.3275801E-15 0.1823407E-10 -0.6228 12 K+ 0.5768115E-02 0.5771649E-02 0.2249392E+03 5.4615 13 Na+ 0.4554731E-01 0.4605688E-01 0.1055349E+04 6.3573 14 Mn++ 0.3479862E-09 0.4259284E-08 0.2332253E-03 5.7416 15 Zn++ 0.7958257E-14 0.2843128E-09 0.1852427E-04 1.1001 16 Cu+ 0.1253971E-15 0.1712443E-07 0.1084500E-02 -8.2029 17 Pb++ 0.1327786E-15 0.2500055E-10 0.5162791E-05 -0.6719 18 Hg++ 0.6539651E-40 0.2370914E-11 0.4740141E-06 -24.9807 19 F- 0.3765065E-03 0.3790930E-03 0.7178271E+01 4.2730 Component Tot moles Aq. moles Solid moles Gas moles 1 H+ 0.1822172E+00 -.6575226E-04 -.8937971E-05 0.1822919E+00 2 H2O 0.5550825E+02 0.3571392E+02 -.1427399E-01 0.1980861E+02 3 Cl- 0.3072017E-01 0.3072017E-01 0.0000000E+00 0.3614431E-11 4 SO4-- -.4257700E-02 0.7511487E-05 0.1002171E-08 -.4265212E-02 5 HCO3- 0.1832100E+00 0.2187824E-02 0.0000000E+00 0.1810222E+00 6 HS- 0.9985820E-02 0.1855953E-03 0.6290300E-07 0.9800162E-02 7 H4SiO4 0.7855346E-02 0.7161301E-03 0.7139216E-02 0.0000000E+00 8 Al+++ 0.2253680E-05 0.3290868E-07 0.2220771E-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 0.0000000E+00 0.0000000E+00 11 Fe++ 0.8017372E-08 0.2107651E-15 0.8017372E-08 0.0000000E+00 12 K+ 0.3715700E-02 0.3713479E-02 0.2220771E-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 0.0000000E+00 0.0000000E+00 15 Zn++ 0.1530000E-07 0.1829269E-09 0.1511707E-07 0.0000000E+00 16 Cu+ 0.6237410E-07 0.1101786E-07 0.5135624E-07 0.0000000E+00 17 Pb++ 0.1110000E-07 0.1608535E-10 0.1108391E-07 0.0000000E+00 18 Hg++ 0.4000000E-08 0.1525446E-11 0.0000000E+00 0.3998475E-08 19 F- 0.2439100E-03 0.2439085E-03 0.0000000E+00 0.1538653E-08 Chg. balance for solid moles: -.2534E-16 Mass of aqueous solution: 0.645528E+03 g Temperature = 100.00 C Pressure = 1.00 bar Mixer frac. = 0.0000000 Log Log Vol Gas or mineral Moles Moles Grams Grams Wt.% (cm3) H2O,gas 19.98 1.301 359.8 2.556 97.81 0.6111E+06 CO2,gas 0.1774 -0.751 7.805 0.892 2.122 5539. CH4,gas 0.3669E-02 -2.435 0.5885E-01 -1.230 0.1600E-01 115.2 H2,gas 0.2384E-02 -2.623 0.4816E-02 -2.317 0.1309E-02 73.99 H2S,gas 0.5535E-02 -2.257 0.1886 -0.724 0.5127E-01 171.0 CO,gas 0.5805E-08 -8.236 0.1626E-06 -6.789 0.4419E-07 0.1800E-03 SO2,gas 0.3399E-16 -16.469 0.2178E-14 -14.662 0.5919E-15 0.1054E-11 HF,gas 0.1539E-08 -8.813 0.3077E-07 -7.512 0.8365E-08 0.4772E-04 HCl,gas 0.3614E-11 -11.442 0.1318E-09 -9.880 0.3582E-10 0.1121E-06 Hg,gas 0.3998E-08 -8.398 0.8021E-06 -6.096 0.2180E-06 0.1240E-03 microcline 0.2221E-05 -5.653 0.6181E-03 -3.209 0.1440 0.2415E-03 quartz 0.7133E-02 -2.147 0.4285 -0.368 99.85 0.1618 bornite 0.8017E-08 -8.096 0.4023E-05 -5.395 0.9375E-03 0.7915E-06 chalcocite 0.5635E-08 -8.249 0.8967E-06 -6.047 0.2089E-03 0.1549E-06 galena 0.1108E-07 -7.955 0.2652E-05 -5.576 0.6179E-03 0.3490E-06 sphalerite 0.1512E-07 -7.821 0.1473E-05 -5.832 0.3432E-03 0.3602E-06 Partial press. Fugacity coef Log fugacity Gas or Mineral Mole fraction or activity Activity coef Log activity H2O,gas 0.9906E+00 0.9909E+00 0.9862 -0.010 CO2,gas 0.8793E-02 0.8796E-02 1.0068 -2.053 CH4,gas 0.1819E-03 0.1820E-03 1.0121 -3.735 H2,gas 0.1182E-03 0.1182E-03 1.0005 -3.927 H2S,gas 0.2744E-03 0.2745E-03 0.9961 -3.563 CO,gas 0.2878E-09 0.2879E-09 1.0000 -9.541 SO2,gas 0.1686E-17 0.1686E-17 1.0000 -17.773 HF,gas 0.7629E-10 0.7631E-10 1.0000 -10.117 HCl,gas 0.1792E-12 0.1793E-12 1.0000 -12.747 Hg,gas 0.1982E-09 0.1983E-09 1.0000 -9.703 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 chalcocite 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: 36.286911 % Solid products produced: Mass = 0.429151 g Volume = 0.162072 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 0.01 0.01 0.00 0.000 -0.49456E-09 2 CO2,gas -8.35 -8.35 -0.00 -0.000 0.24568E-09 3 CH4,gas 2.88 2.88 -0.00 -0.000 0.43146E-09 4 H2,gas 6.32 6.32 -0.00 -0.000 0.19715E-10 5 H2S,gas -7.92 -7.92 0.00 0.000 -0.13649E-09 6 CO,gas 1.52 1.52 0.00 0.000 -0.15165E-11 7 SO2,gas -0.87 -0.87 -0.00 -0.000 0.17061E-11 8 HF,gas -1.23 -1.23 0.00 0.000 -0.34122E-11 9 HCl,gas 3.50 3.50 0.00 0.000 -0.15165E-11 10 Hg,gas -12.89 -12.89 0.00 0.000 -0.30331E-11 112 microcline -2.54 -2.54 -0.00 -0.000 0.90992E-11 143 quartz -3.00 -3.00 -0.00 -0.000 0.75827E-12 196 bornite -88.75 -88.75 -0.00 -0.000 0.24265E-10 199 chalcocite -27.89 -27.88 0.00 0.000 -0.60662E-11 247 galena -12.15 -12.15 0.00 0.000 0.00000E+00 258 sphalerite -10.38 -10.38 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 0.64 -1.65 -2.28 -0.176 0.38969E+04 16 albite -0.44 -1.65 -1.21 -0.093 0.20579E+04 20 analcite 3.27 1.35 -1.92 -0.213 0.32805E+04 24 anhydrite -5.35 -10.14 -4.79 -2.394 0.81738E+04 27 phlogopite 26.98 23.62 -3.36 -0.187 0.57380E+04 32 aragonite 0.95 0.48 -0.46 -0.155 0.79178E+03 33 brucite 12.56 8.72 -3.84 -0.768 0.65564E+04 34 calcite 0.79 0.48 -0.31 -0.102 0.52371E+03 35 carnegieite-low 8.98 4.35 -4.63 -0.662 0.79111E+04 37 carpholite-Mg 8.51 4.71 -3.81 -0.254 0.65002E+04 39 celadonite 5.28 3.18 -2.10 -0.124 0.35854E+04 41 chrysotile 23.85 20.17 -3.68 -0.307 0.62827E+04 48 coesite -2.38 -3.00 -0.62 -0.205 0.10501E+04 55 cristobalite -2.57 -3.00 -0.43 -0.142 0.72738E+03 58 cymrite-K 1.64 -2.54 -4.18 -0.348 0.71372E+04 60 diaspore 2.85 0.99 -1.86 -0.310 0.31785E+04 61 diamond -3.10 -5.63 -2.53 -0.724 0.43247E+04 62 diopside 16.15 13.62 -2.53 -0.253 0.43195E+04 64 dolomite,ordered 0.51 -1.20 -1.71 -0.285 0.29187E+04 78 gibbsite 4.06 0.99 -3.07 -0.439 0.52411E+04 82 graphite -3.54 -5.63 -2.09 -0.597 0.35666E+04 85 halite 1.57 -2.89 -4.46 -2.228 0.76072E+04 87 heulandite -5.95 -8.11 -2.16 -0.098 0.36949E+04 91 jadeite 4.18 1.35 -2.83 -0.283 0.48274E+04 93 kalsilite 7.55 3.45 -4.09 -0.585 0.69870E+04 94 kaolinite -1.39 -4.02 -2.62 -0.238 0.44754E+04 97 laumontite 2.79 0.88 -1.91 -0.127 0.32612E+04 98 lawsonite 9.55 6.88 -2.68 -0.178 0.45709E+04 99 leucite 4.07 0.46 -3.61 -0.361 0.61708E+04 101 lizardite 23.20 20.17 -3.03 -0.253 0.51763E+04 102 magnesite 0.67 -1.69 -2.36 -0.786 0.40256E+04 116 muscovite 2.48 -0.56 -3.05 -0.179 0.51994E+04 117 paragonite 4.14 0.33 -3.81 -0.224 0.64974E+04 118 nepheline 8.30 4.35 -3.95 -0.564 0.67432E+04 132 prehnite 19.28 14.77 -4.51 -0.265 0.76971E+04 138 pyrite -21.27 -25.97 -4.70 -1.106 0.80253E+04 141 pyroxmangite 7.38 2.74 -4.64 -0.928 0.79199E+04 142 pyrophyllite -6.25 -10.01 -3.76 -0.235 0.64134E+04 148 rhodochrosite -0.99 -4.67 -3.67 -1.224 0.62684E+04 149 rhodonite 7.43 2.74 -4.68 -0.937 0.79985E+04 150 sanidine -1.33 -2.54 -1.21 -0.093 0.20677E+04 160 stilbite -7.64 -8.11 -0.47 -0.023 0.80930E+03 162 stilpnomelane-Mg 27.28 24.33 -2.95 -0.088 0.50362E+04 166 sulfur -9.16 -13.87 -4.70 -1.447 0.80305E+04 168 talc 16.43 14.17 -2.26 -0.133 0.38513E+04 176 tridymite -2.64 -3.00 -0.36 -0.120 0.61298E+03 185 wairakite 3.84 0.88 -2.96 -0.174 0.50558E+04 186 walstromite 11.49 7.89 -3.60 -0.719 0.61416E+04 187 wollastonite 10.44 7.89 -2.55 -0.510 0.43505E+04 188 pseudo-wollastonite 10.98 7.89 -3.09 -0.617 0.52691E+04 198 chalcedony -2.81 -3.00 -0.19 -0.062 0.31930E+03 200 covellite -19.93 -20.88 -0.95 -0.360 0.16154E+04 201 dawsonite 1.65 -3.06 -4.71 -0.589 0.80406E+04 202 montmorillonite-Ca -2.37 -5.66 -3.29 -0.204 0.56225E+04 203 montmorillonite-K -2.31 -5.66 -3.34 -0.205 0.57092E+04 204 montmorillonite-Mg -2.56 -6.02 -3.46 -0.214 0.59129E+04 205 montmorillonite-Na -2.12 -5.36 -3.25 -0.199 0.55408E+04 227 tobermorite 9.81 6.07 -3.73 -1.018 0.63735E+04 233 alabandite -0.99 -5.74 -4.74 -1.582 0.81012E+04 238 boehmite 4.38 0.99 -3.39 -0.565 0.57927E+04 240 chalcopyrite -28.63 -32.98 -4.34 -0.808 0.74173E+04 241 cinnabar -31.83 -36.46 -4.63 -1.545 0.79121E+04 242 metacinnabar -31.60 -36.46 -4.86 -1.621 0.83032E+04 243 copper,native -3.02 -7.01 -3.99 -1.387 0.68110E+04 244 dolomite,disordered 1.21 -1.20 -2.41 -0.402 0.41156E+04 246 fluorite -9.97 -11.80 -1.83 -0.611 0.31294E+04 255 silica-amorphous -2.10 -3.00 -0.89 -0.298 0.15248E+04 259 wurtzite -8.54 -10.38 -1.83 -0.612 0.31332E+04 261 an20ab80 1.95 0.06 -1.90 -0.146 0.32370E+04 262 an25ab75 2.58 0.48 -2.10 -0.161 0.35800E+04 263 an30ab70 3.21 0.91 -2.30 -0.177 0.39316E+04 Calculations done for 100.0000 Deg. C; 1.0003 bar Enthalpies: Pure water 1.8213 kcal/mole H2O,gas 11.5776 kcal/mole CO2,gas 0.9181 kcal/mole CH4,gas 0.8814 kcal/mole Current solution 65.0455 Gas 231.4851 kcal Total current enthalpy 296.5306 kcal Starting enthalpy 296.5306 kcal Temperature changed by -2.000 degrees to 98.000 degrees C. Temperature reached given limit of 100.0000 TEMP = 98.0000 Execution stopped.