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 is an extended P(to 5 kB), T(to 600 C) run (CON_FLAG = 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. fCO2,1bar20C is suppressed in THIS RUN. amesite is suppressed in SOLTHERM data file. antigorite is suppressed in SOLTHERM data file. sapphirine-Fe(221) is suppressed in SOLTHERM data file. sapphirine(221) is suppressed in SOLTHERM data file. talc-prl is suppressed in SOLTHERM data file. PrO1.833(s) is suppressed in SOLTHERM data file. niter-NH4 is suppressed in SOLTHERM data file. FMQ_HS-1 is suppressed in THIS RUN. kf-ab-equil is suppressed in THIS RUN. ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ Test file for CHIM-XPT. Mixing of cold water into metal bearing water starting at 199.97 C. Illustrates fluid-fluid mixing. CHIMRUN demo-3 ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ Species No. Charge Tot.moles Trial molality Gamma Mixing solution H+ 1 1. 0.32344E+00 0.21899E-04 0.6712 0.00000000E+00 H2O 2 0. 0.16078E+03 0.10000E+01 0.9824 0.55508250E+02 Cl- 3 -1. 0.15454E+01 0.50516E+00 0.6497 0.00000000E+00 SO4-- 4 -2. 0.18864E-03 0.62518E-04 0.1698 0.00000000E+00 HCO3- 5 -1. 0.34993E+00 0.91923E-02 0.6511 0.00000000E+00 HS- 6 -1. 0.14030E-04 0.75490E-07 0.6498 0.00000000E+00 H4SiO4 7 0. 0.28117E-02 0.88558E-03 1.0000 0.00000000E+00 Al+++ 8 3. 0.24073E-05 0.28771E-10 0.0179 0.00000000E+00 Ca++ 9 2. 0.21052E-02 0.64316E-03 0.1629 0.00000000E+00 Mg++ 10 2. 0.17177E-03 0.52745E-04 0.1609 0.00000000E+00 Fe++ 11 2. 0.16033E-05 0.49231E-06 0.1613 0.00000000E+00 K+ 12 1. 0.45456E-01 0.15622E-01 0.6490 0.00000000E+00 Na+ 13 1. 0.15238E+01 0.49781E+00 0.6459 0.00000000E+00 Mn++ 14 2. 0.34477E-04 0.91048E-05 0.1616 0.00000000E+00 Zn++ 15 2. 0.74682E-05 0.93371E-07 0.1613 0.00000000E+00 Cu+ 16 1. 0.17016E-06 0.27041E-13 0.6459 0.00000000E+00 Pb++ 17 2. 0.15650E-05 0.91241E-09 0.1646 0.00000000E+00 Ag+ 18 1. 0.42713E-06 0.65566E-13 0.6482 0.00000000E+00 Au+ 19 1. 0.31110E-11 0.13694E-24 0.6495 0.00000000E+00 Ba++ 20 2. 0.40644E-05 0.12208E-05 0.1659 0.00000000E+00 F- 21 -1. 0.16304E-02 0.52081E-03 0.6552 0.00000000E+00 H2AsO3- 22 -1. 0.12964E-03 0.11751E-07 0.6971 0.00000000E+00 Chg. balance for total moles = -.1296E-03 Max. difference allowed = 0.1545E-03 Chg. balance for the mixing solution = 0.0000E+00 Max. difference allowed = 0.1545E-03 The following parameters were given: ERPC = 0.1000E-11 pH = 0.0000 PFLUID = 500.0000 SLIM = 0.400000E+01 TEMP = 87.3161 SINC = 0.1000E+00 TEMPC = 25.0000 TOTMIX = 0.190000E+01 ENTH = 0.0000 SENTH = 0.0000 DENTH = 0.0000 TOTWAT = 90.0000 SOLMIN = 0.0000E+00 RM = 0.0000 AQGRM = 1082.4053 SUPRNT = 0.1000E-10 VBOX-1 = 0.0000 RHOFRS = 0.0000 RHOROC = 0.0000 The following options were selected: CONFLG = 1 C = 3 IFRAC = 0 IPUNCH = 2 NLOOP = 70 ISTEP = 2 LIMSOL = 2 LOOC = 0 IENTH = 0 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 23 -2. -24.1005 FeCl2,aq 102 0. 5.0166 HSiO3- 24 -1. 8.9272 FeCl+2 103 2. 6.6195 Ca(HSiO3)+ 25 1. 7.6999 FeF+ 104 1. -1.5872 Mg(HSiO3)+ 26 1. 7.5824 FeF+2 105 2. 1.6087 NaHSiO3,aq 27 0. 7.7089 FeO,aq 106 0. 16.8891 Ag(CO3)- 28 -1. 7.7145 FeOH+ 107 1. 7.6648 Ag(CO3)2-3 29 -3. 18.1471 HFeO2- 108 -1. 24.8658 Ag+2 30 2. 25.3342 FeO+ 109 1. 11.6195 AgCl,aq 31 0. -2.8644 FeOH+2 110 2. 9.3027 AgCl2- 32 -1. -4.5132 FeO2- 111 -1. 24.9028 AgCl3-2 33 -2. -3.7707 HFeO2,aq 112 0. 16.6368 AgCl4-3 34 -3. -1.7883 H2,aq 113 0. 9.7705 AgF,aq 35 0. -0.4430 KCl,aq 114 0. 1.9486 Ag(OH),aq 36 0. 10.9407 KHSO4,aq 115 0. 0.0848 AgO- 37 -1. 20.6415 KOH,aq 116 0. 12.5506 Ag(HS),aq 38 0. -11.8949 KSO4- 117 -1. -1.1041 Ag(HS)2- 39 -1. -14.4496 MgCO3,aq 118 0. 6.5279 AlO+ 40 1. 7.5389 Mg(HCO3)+ 119 1. -1.2811 AlOH+2 41 2. 3.6103 MgCl+ 120 1. -0.0459 HAlO2,aq 42 0. 11.4046 MgF+ 121 1. -1.5924 AlO2- 43 -1. 17.1843 MgOH+ 122 1. 9.7662 AsO2- 44 -1. 0.1391 Mn+3 123 3. 19.3347 HAsO2,aq 45 0. -8.1942 MnF+ 124 1. -1.0895 H3AsO3,aq 46 0. -8.3255 MnO,aq 125 0. 18.4737 H3AsO4,aq 47 0. 0.8810 MnOH+ 126 1. 8.7275 H2AsO4- 48 -1. 3.3403 MnO2-2 127 -2. 41.2536 HAsO4-2 49 -2. 9.9749 HMnO2- 128 -1. 29.6901 AsO4-3 50 -3. 21.0028 MnO4- 129 -1. 86.7957 HAs3S6-2 51 -2. -79.3898 MnO4-2 130 -2. 84.0750 H2As3S6- 52 -1. -86.4322 MnCl+ 131 1. -0.5697 H3As3S6,aq 53 0. -89.4396 MnSO4,aq 132 0. -2.3101 Au+3 54 3. 34.2282 NaCl,aq 133 0. 0.5891 AuCl,aq 55 0. -6.6353 NaF,aq 134 0. 0.7577 AuCl2- 56 -1. -7.8821 NaOH,aq 135 0. 12.5072 AuCl3-2 57 -2. -7.3741 O2,aq 136 0. 56.0009 AuCl4- 58 -1. 26.4952 OH- 137 -1. 12.3064 AuOH,aq 59 0. -5.3210 HO2- 138 -1. 52.3582 AuHS,aq 60 0. -19.9837 H2O2,aq 139 0. 41.6926 Au(HS)2- 61 -1. -24.4846 PbCl+ 140 1. -1.6687 BaCO3,aq 62 0. 6.5758 PbCl2,aq 141 0. -2.3529 Ba(HCO3)+ 63 1. -1.5943 PbCl3- 142 -1. -1.9945 BaCl+ 64 1. -0.0164 PbCl4-2 143 -2. -1.4434 BaF+ 65 1. -0.2073 PbF+ 144 1. -2.0728 CH4,aq 66 0. 5.9727 PbF2,aq 145 0. -3.2198 C2H6,aq 67 0. 12.2293 PbO,aq 146 0. 14.1379 C3H8,aq 68 0. 17.1067 HPbO2- 147 -1. 24.1056 C4H10,aq 69 0. 22.0233 Pb(HS)2,aq 148 0. -12.9517 ethanol,aq 70 0. 15.3952 Pb(HS)3- 149 -1. -14.0111 CO,aq 71 0. 5.2583 H2S,aq 150 0. -6.4094 CO2,aq 72 0. -6.0591 S2-2 151 -2. 1.2430 CO3-2 73 -2. 9.8391 S3-2 152 -2. -8.9087 CaCO3,aq 74 0. 5.9506 S3- 153 -1. -16.2366 Ca(HCO3)+ 75 1. -1.2750 S4-2 154 -2. -18.8744 CaCl+ 76 1. -0.0576 S5-2 155 -2. -28.6591 CaCl2,aq 77 0. 0.6254 SO2,aq 156 0. 0.5719 CaF+ 78 1. -1.0121 SO3-2 157 -2. 10.3927 CaOH+ 79 1. 10.5544 HSO3- 158 -1. 2.9792 CaSO4,aq 80 0. -2.3617 HSO4- 159 -1. -2.6692 HCl,aq 81 0. 0.6615 HSO5- 160 -1. 40.9605 HClO,aq 82 0. 33.9057 S2O3-2 161 -2. -4.4772 ClO- 83 -1. 40.9568 HS2O3- 162 -1. -6.6096 HClO2,aq 84 0. 73.2387 H2S2O3,aq 163 0. -7.6144 Cu+2 85 2. -0.4090 S2O4-2 164 -2. 11.2510 CuCl+ 86 1. -1.0028 HS2O4- 165 -1. 8.5366 CuCl2,aq 87 0. 0.0324 H2S2O4,aq 166 0. 7.7030 CuCl3- 88 -1. 1.9038 S2O5-2 167 -2. 10.8554 CuCl4-2 89 -2. 4.9007 S2O6-2 168 -2. 12.5129 CuCl,aq 90 0. -3.7854 S2O8-2 169 -2. 44.6761 CuCl2- 91 -1. -5.0005 S3O6-2 170 -2. 4.6109 CuCl3-2 92 -2. -3.8305 S4O6-2 171 -2. -17.3593 CuF+ 93 1. -2.0949 S5O6-2 172 -2. -13.6523 CuO,aq 94 0. 12.0561 ZnCl+ 173 1. -1.6390 CuOH+ 95 1. 6.0868 ZnCl2,aq 174 0. -1.3958 CuO2-2 96 -2. 35.1700 ZnCl3- 175 -1. -0.6224 HCuO2- 97 -1. 22.8515 ZnF+ 176 1. -1.3678 HF,aq 98 0. -3.6045 ZnO,aq 177 0. 14.5205 HF2- 99 -1. -3.0546 ZnOH+ 178 1. 5.5859 Fe+3 100 3. 8.3974 ZnO2-2 179 -2. 35.1602 FeCl+ 101 1. -0.0654 HZnO2- 180 -1. 23.6852 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 2.778 0.0000E+00 px-Mg-tschermaks 141 22.000 0.0000E+00 CO2,gas 2 -5.610 0.0000E+00 px-Ca-tschermaks 142 20.817 0.0000E+00 CH4,gas 3 5.214 0.0000E+00 pyrite 143 -21.482 0.0000E+00 H2,gas 4 9.153 0.0000E+00 pyrrhotite 144 -4.023 0.0000E+00 H2S,gas 5 -5.336 0.0000E+00 pyrrhotiteFe0.875 145 -5.864 0.0000E+00 S2,gas 6 -6.016 0.0000E+00 pyroxmangite 146 7.881 0.0000E+00 CO,gas 7 4.537 0.0000E+00 pyrophyllite 147 -4.955 0.0000E+00 SO3,gas 8 19.379 0.0000E+00 quartz 148 -3.037 0.2388E-03 O2,gas 9 52.655 0.0000E+00 rankinite 149 42.719 0.0000E+00 SO2,gas 10 2.457 0.0000E+00 riebeckite 150 22.632 0.0000E+00 HF,gas 11 1.838 0.0000E+00 ringwoodite-Fe 151 16.540 0.0000E+00 HCl,gas 12 6.492 0.0000E+00 ringwoodite-Mg 152 29.066 0.0000E+00 acmite 13 8.236 0.0000E+00 rhodochrosite 153 -0.695 0.0000E+00 akermanite 14 38.448 0.0000E+00 rhodonite 154 7.933 0.0000E+00 akimotoite 15 17.421 0.0000E+00 sanidine 155 -0.559 0.0000E+00 akimotoite-Fe 16 13.794 0.0000E+00 sapphirine(351) 156 89.428 0.0000E+00 albite-high 17 1.576 0.0000E+00 siderite 157 -2.294 0.0000E+00 albite 18 0.427 0.0000E+00 sillimanite 158 6.872 0.0000E+00 almandine 19 27.539 0.0000E+00 sodalite 159 56.296 0.0000E+00 pyrope 20 40.787 0.0000E+00 spinel 160 23.239 0.0000E+00 spessartine 21 27.233 0.0000E+00 spurrite 161 62.586 0.0000E+00 analcite 22 4.194 0.0000E+00 staurolite-Fe 162 89.371 0.0000E+00 andalusite 23 6.609 0.0000E+00 staurolite-Mg 163 106.106 0.0000E+00 andradite 24 41.440 0.0000E+00 staurolite-Mn 164 99.692 0.0000E+00 grossular 25 35.651 0.0000E+00 stilbite 165 -6.263 0.0000E+00 anhydrite 26 -4.793 0.0000E+00 stilpnomelane-Fe 166 15.994 0.0000E+00 ankerite 27 -1.471 0.0000E+00 stilpnomelane-Mg 167 30.962 0.0000E+00 annite 28 22.271 0.0000E+00 stishovite 168 2.784 0.0000E+00 phlogopite 29 29.393 0.0000E+00 sudoite-Fe 169 21.955 0.0000E+00 biotite-Mn 30 35.245 0.0000E+00 sudoite 170 24.808 0.0000E+00 anorthite 31 14.907 0.0000E+00 sulfur 171 -9.204 0.0000E+00 anthophyllite 32 55.741 0.0000E+00 sylvite 172 1.367 0.0000E+00 anthophyllite-Fe 33 32.511 0.0000E+00 talc 173 17.914 0.0000E+00 aragonite 34 1.307 0.0000E+00 talc-Fe 174 14.832 0.0000E+00 brucite 35 13.161 0.0000E+00 talc-tschermaks 175 21.718 0.0000E+00 calcite 36 1.170 0.0000E+00 tenorite 176 5.393 0.0000E+00 carnegieite-low 37 10.045 0.0000E+00 tephroite 177 19.119 0.0000E+00 carnegieite-high 38 11.186 0.0000E+00 tilleyite 178 44.059 0.0000E+00 carpholite-Mg 39 10.351 0.0000E+00 titanite-CaSi 179 16.150 0.0000E+00 carpholite-Fe 40 8.432 0.0000E+00 topaz-H 180 5.977 0.0000E+00 celadonite 41 6.340 0.0000E+00 tridymite 181 -2.620 0.0000E+00 celadonite-Fe 42 4.857 0.0000E+00 tremolite 182 51.355 0.0000E+00 chrysotile 43 25.387 0.0000E+00 ferroactinolite 183 41.737 0.0000E+00 chondrodite 44 59.739 0.0000E+00 troilite-low 184 -4.189 0.0000E+00 clinochlore 45 42.838 0.0000E+00 tschermakite 185 53.886 0.0000E+00 daphnite 46 32.453 0.0000E+00 vesuvianite 186 241.786 0.0000E+00 chlorite-Mn 47 50.519 0.0000E+00 wadeite-Si 187 20.660 0.0000E+00 chlorite-Al-free 48 50.133 0.0000E+00 wadsleyite-Fe 188 16.791 0.0000E+00 chloritoid-Mg 49 15.173 0.0000E+00 wadsleyite-Mg 189 27.296 0.0000E+00 chloritoid-Fe 50 11.005 0.0000E+00 wairakite 190 5.900 0.0000E+00 chloritoid-Mn 51 13.216 0.0000E+00 walstromite 191 12.111 0.0000E+00 clinohumite 52 102.925 0.0000E+00 wollastonite 192 11.039 0.0000E+00 coesite 53 -2.418 0.0000E+00 pseudo-wollastonite 193 11.606 0.0000E+00 cordierite-H 54 28.317 0.0000E+00 zoisite 194 26.021 0.0000E+00 cordierite 55 28.777 0.0000E+00 Ag2O 195 11.411 0.0000E+00 cordierite-Fe 56 25.091 0.0000E+00 akaganeite 196 8.301 0.0000E+00 cordierite-Mn 57 29.693 0.0000E+00 argentite 197 -29.220 0.2108E-06 corundum 58 10.030 0.0000E+00 arsenic 198 -7.530 0.0000E+00 corundum-MgSi 59 19.801 0.0000E+00 arsenolite 199 -16.889 0.0000E+00 cristobalite 60 -2.549 0.0000E+00 arsenopyrite 200 -15.227 0.0000E+00 cummingtonite 61 55.985 0.0000E+00 beidellite-Ca 201 -0.015 0.0000E+00 cuprite 62 -0.768 0.0000E+00 beidellite-H 202 -0.746 0.0000E+00 cymrite-K 63 2.407 0.0000E+00 beidellite-K 203 0.039 0.0000E+00 deerite 64 104.133 0.0000E+00 beidellite-Mg 204 -0.182 0.0000E+00 diaspore 65 3.568 0.0000E+00 beidellite-Na 205 0.237 0.0000E+00 diamond 66 -3.328 0.0000E+00 bornite 206 -90.937 0.3383E-07 diopside 67 17.210 0.0000E+00 calcium 207 87.134 0.0000E+00 hedenbergite 68 15.193 0.0000E+00 chalcedony 208 -2.843 0.0000E+00 dolomite,ordered 69 1.280 0.0000E+00 chalcocite 209 -28.742 0.0000E+00 eastonite 70 31.961 0.0000E+00 claudetite 210 -17.025 0.0000E+00 enstatite 71 18.460 0.0000E+00 covellite 211 -20.450 0.0000E+00 clinoenstatite-HiP 72 19.575 0.0000E+00 dawsonite 212 2.323 0.0000E+00 clinoenstatite 73 18.358 0.0000E+00 loellingite 213 -2.988 0.0000E+00 protoenstatite 74 19.060 0.0000E+00 montmorillonite-Ca 214 -1.017 0.0000E+00 epidote 75 27.529 0.0000E+00 montmorillonite-K 215 -1.032 0.0000E+00 clinozoisite 76 25.984 0.0000E+00 montmorillonite-Mg 216 -1.190 0.0000E+00 epidote-Fe 77 32.492 0.0000E+00 montmorillonite-Na 217 -0.798 0.0000E+00 fayalite 78 15.130 0.0000E+00 nontronite-Ca 218 4.223 0.0000E+00 ferrosilite 79 12.163 0.0000E+00 nontronite-H 219 3.490 0.0000E+00 forsterite 80 22.317 0.0000E+00 nontronite-K 220 4.277 0.0000E+00 gedrite 81 56.511 0.0000E+00 nontronite-Mg 221 4.093 0.0000E+00 gehlenite 82 39.721 0.0000E+00 nontronite-Na 222 4.476 0.0000E+00 gibbsite 83 4.739 0.0000E+00 orpiment 223 -55.115 0.0000E+00 glaucophane 84 25.832 0.0000E+00 realgar 224 -70.294 0.0000E+00 glaucophane-Fe 85 20.005 0.0000E+00 sepiolite 225 25.666 0.0000E+00 goethite 86 6.868 0.0000E+00 topaz 226 -15.231 0.1202E-05 graphite 87 -3.768 0.0000E+00 alite 227 60.550 0.0000E+00 greenalite 88 17.468 0.0000E+00 belite 228 31.839 0.0000E+00 grunerite 89 34.503 0.0000E+00 ettringite 229 46.256 0.0000E+00 halite 90 1.652 0.0000E+00 gypsum 230 -4.588 0.0000E+00 hematite 91 13.592 0.0000E+00 hemicarboaluminate 231 74.471 0.0000E+00 heulandite 92 -4.193 0.0000E+00 hydrogarnet 232 63.963 0.0000E+00 hercynite 93 19.542 0.0000E+00 hydrogarnet-Si 233 53.677 0.0000E+00 hollandite 94 27.002 0.0000E+00 jennite 234 25.221 0.0000E+00 iron 95 19.891 0.0000E+00 monosulfoaluminate 235 56.927 0.0000E+00 jadeite 96 4.958 0.0000E+00 monocarboaluminate 236 65.081 0.0000E+00 julgoldite 97 74.893 0.0000E+00 portlandite 237 18.987 0.0000E+00 kalsilite 98 8.488 0.0000E+00 stratlingite 238 38.991 0.0000E+00 kaolinite 99 -0.130 0.0000E+00 tricarboaluminate 239 73.014 0.0000E+00 kyanite 100 6.414 0.0000E+00 tobermorite 240 10.155 0.0000E+00 larnite-bredigite 101 32.096 0.0000E+00 C4AH13 241 85.382 0.0000E+00 laumontite 102 4.520 0.0000E+00 C2AH8 242 47.761 0.0000E+00 lawsonite 103 11.234 0.0000E+00 C3A 243 91.949 0.0000E+00 leucite 104 5.028 0.0000E+00 C4AF 244 124.172 0.0000E+00 lime 105 27.054 0.0000E+00 CAH10 245 30.019 0.0000E+00 lizardite 106 24.688 0.0000E+00 acanthite 246 -29.146 0.0000E+00 magnesite 107 1.107 0.0000E+00 alabandite 247 -0.684 0.0000E+00 magnetite 108 21.667 0.0000E+00 alunite 248 -7.306 0.0000E+00 minnesotaite 109 11.711 0.0000E+00 anglesite 249 -7.479 0.0000E+00 minnesotaite-Mg 110 22.219 0.0000E+00 artinite 250 15.899 0.0000E+00 magnesioferrite 111 28.007 0.0000E+00 azurite 251 4.657 0.0000E+00 majorite 112 56.205 0.0000E+00 barite 252 -9.173 0.0000E+00 manganosite 113 14.727 0.0000E+00 boehmite 253 5.194 0.0000E+00 margarite 114 20.818 0.0000E+00 cerussite 254 -2.705 0.0000E+00 meionite 115 52.140 0.0000E+00 chalcopyrite 255 -29.027 0.0000E+00 merwinite 116 58.697 0.0000E+00 chlorargyrite 256 -7.805 0.0000E+00 microcline 117 -1.811 0.0000E+00 copper,native 257 -3.216 0.0000E+00 monticellite 118 25.664 0.0000E+00 dolomite,disordered 258 2.026 0.0000E+00 mullite-Al 119 378.930 0.0000E+00 ferrous-oxide 259 10.436 0.0000E+00 mullite-Si 120 8.956 0.0000E+00 fluorite 260 -9.585 0.0000E+00 muscovite 121 4.619 0.0000E+00 galena 261 -12.300 0.1538E-05 paragonite 122 6.378 0.0000E+00 gold,native 262 -19.315 0.1885E-11 nepheline 123 9.331 0.0000E+00 silver,native 263 -6.981 0.1348E-11 osumilite(1) 124 27.284 0.0000E+00 huntite 264 5.442 0.0000E+00 osumilite(2) 125 25.081 0.0000E+00 litharge 265 10.747 0.0000E+00 osumilite-Fe 126 19.692 0.0000E+00 hydromagnesite 266 22.249 0.0000E+00 pargasite 127 70.904 0.0000E+00 malachite 267 3.080 0.0000E+00 periclase 128 16.961 0.0000E+00 nesquehonite 268 4.859 0.0000E+00 periclase-Fe 129 12.310 0.0000E+00 potassium-oxide 269 71.128 0.0000E+00 perovskite-Al 130 14.132 0.0000E+00 silica-amorphous 270 -2.050 0.0000E+00 perovskite-Ca 131 24.754 0.0000E+00 smithsonite 271 -0.376 0.0000E+00 perovskite-Fe 132 22.138 0.0000E+00 sodium-oxide 272 56.889 0.0000E+00 perovskite-Mg 133 24.169 0.0000E+00 sphalerite 273 -10.299 0.6096E-05 phase_A 134 84.480 0.0000E+00 wurtzite 274 -8.399 0.0000E+00 phlogopite-Na 135 32.145 0.0000E+00 zincite 275 8.680 0.0000E+00 piemontite(ordered) 136 36.878 0.0000E+00 an20ab80 276 3.106 0.0000E+00 prehnite 137 21.766 0.0000E+00 an25ab75 277 3.803 0.0000E+00 prehnite-Fe 138 24.668 0.0000E+00 an30ab70 278 4.506 0.0000E+00 pumpellyite-Fe 139 51.801 0.0000E+00 tr.625ac.25prg.125 279 48.891 0.0000E+00 pumpellyite-Mg 140 54.609 0.0000E+00 280 0.000 0.0000E+00 Mixing solution: Stoch.ionic strengh 0.5000E-10 Temperature 25.00 HEAT 0.64600 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 S2,gas 6 CO,gas 6 SO3,gas 6 SO2,gas 6 HF,gas 6 HCl,gas 6 almandine 16 pyrope 16 spessartine 16 andradite 8 grossular 8 annite 15 phlogopite 15 biotite-Mn 15 clinochlore 1 daphnite 1 chlorite-Mn 1 diopside 5 hedenbergite 5 epidote 3 clinozoisite 3 iron 9 magnetite 14 talc 7 talc-Fe 7 tremolite 2 ferroactinolite 2 gold,native 10 silver,native 10 ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ Test file for CHIM-XPT. Mixing of cold water into metal bearing water starting at 199.97 C. Illustrates fluid-fluid mixing. CHIMRUN demo-3 ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ Number of loops used = 8 Loop limit = 70 Temperature = 87.32 C Pressure = 500.00 bar Mixer fraction = 1.9000000 Water: Moles liquid = 0.1611E+03 kg liquid = 0.2902E+01 Moles total = 0.1608E+03 kg total = 0.2897E+01 Activity = 0.9824 Stoichiometric ionic strength = .6000830E+00 Osmotic coef. = 0.9278 True ionic strength = .5157457E+00 Chg. balance for total moles = -.1296E-03 Max. difference allowed = 0.1545E-03 Log Log Log Species(n) Molality Molality Activity Activity Gamma Gamma 1 H+ 0.21899E-04 -4.6596 0.14699E-04 -4.8327 0.67124E+00 -0.1731 2 H2O 0.98235E+00 -0.0077 0.98235E+00 -0.0077 3 Cl- 0.50516E+00 -0.2966 0.32821E+00 -0.4838 0.64972E+00 -0.1873 4 SO4-- 0.62518E-04 -4.2040 0.10613E-04 -4.9742 0.16976E+00 -0.7702 5 HCO3- 0.91923E-02 -2.0366 0.59847E-02 -2.2230 0.65106E+00 -0.1864 6 HS- 0.75490E-07 -7.1221 0.49050E-07 -7.3094 0.64975E+00 -0.1873 7 H4SiO4 0.88558E-03 -3.0528 0.88558E-03 -3.0528 0.10000E+01 0.0000 8 Al+++ 0.28771E-10 -10.5410 0.51554E-12 -12.2877 0.17919E-01 -1.7467 9 Ca++ 0.64316E-03 -3.1917 0.10476E-03 -3.9798 0.16289E+00 -0.7881 10 Mg++ 0.52745E-04 -4.2778 0.84886E-05 -5.0712 0.16094E+00 -0.7933 11 Fe++ 0.49231E-06 -6.3078 0.79414E-07 -7.1001 0.16131E+00 -0.7923 12 K+ 0.15622E-01 -1.8063 0.10139E-01 -1.9940 0.64899E+00 -0.1878 13 Na+ 0.49781E+00 -0.3029 0.32155E+00 -0.4928 0.64593E+00 -0.1898 14 Mn++ 0.91048E-05 -5.0407 0.14716E-05 -5.8322 0.16163E+00 -0.7915 15 Zn++ 0.93371E-07 -7.0298 0.15061E-07 -7.8221 0.16131E+00 -0.7923 16 Cu+ 0.27041E-13 -13.5680 0.17466E-13 -13.7578 0.64589E+00 -0.1898 17 Pb++ 0.91241E-09 -9.0398 0.15018E-09 -9.8234 0.16460E+00 -0.7836 18 Ag+ 0.65566E-13 -13.1833 0.42500E-13 -13.3716 0.64821E+00 -0.1883 19 Au+ 0.13694E-24 -24.8635 0.88940E-25 -25.0509 0.64947E+00 -0.1874 20 Ba++ 0.12208E-05 -5.9133 0.20253E-06 -6.6935 0.16589E+00 -0.7802 21 F- 0.52081E-03 -3.2833 0.34122E-03 -3.4670 0.65517E+00 -0.1836 22 H2AsO3- 0.11751E-07 -7.9299 0.81921E-08 -8.0866 0.69712E+00 -0.1567 24 HSiO3- 0.11161E-06 -6.9523 0.72512E-07 -7.1396 0.64972E+00 -0.1873 25 Ca(HSiO3)+ 0.19744E-09 -9.7046 0.12823E-09 -9.8920 0.64947E+00 -0.1874 26 Mg(HSiO3)+ 0.20968E-10 -10.6784 0.13618E-10 -10.8659 0.64947E+00 -0.1874 27 NaHSiO3,aq 0.38548E-06 -6.4140 0.38548E-06 -6.4140 0.10000E+01 0.0000 31 AgCl,aq 0.10208E-10 -10.9910 0.10208E-10 -10.9910 0.10000E+01 0.0000 32 AgCl2- 0.22970E-09 -9.6388 0.14924E-09 -9.8261 0.64972E+00 -0.1873 33 AgCl3-2 0.52588E-10 -10.2791 0.88618E-11 -11.0525 0.16851E+00 -0.7734 38 Ag(HS),aq 0.16367E-08 -8.7860 0.16367E-08 -8.7860 0.10000E+01 0.0000 40 AlO+ 0.10435E-09 -9.9815 0.67770E-10 -10.1690 0.64947E+00 -0.1874 41 AlOH+2 0.52146E-10 -10.2828 0.84506E-11 -11.0731 0.16206E+00 -0.7903 42 HAlO2,aq 0.61701E-09 -9.2097 0.61701E-09 -9.2097 0.10000E+01 0.0000 43 AlO2- 0.10668E-09 -9.9719 0.69705E-10 -10.1567 0.65342E+00 -0.1848 44 AsO2- 0.93182E-08 -8.0307 0.60542E-08 -8.2179 0.64972E+00 -0.1873 45 HAsO2,aq 0.19169E-04 -4.7174 0.19169E-04 -4.7174 0.10000E+01 0.0000 46 H3AsO3,aq 0.25477E-04 -4.5939 0.25477E-04 -4.5939 0.10000E+01 0.0000 62 BaCO3,aq 0.21900E-10 -10.6596 0.21900E-10 -10.6596 0.10000E+01 0.0000 63 Ba(HCO3)+ 0.73040E-07 -7.1364 0.47620E-07 -7.3222 0.65197E+00 -0.1858 64 BaCl+ 0.10627E-06 -6.9736 0.69021E-07 -7.1610 0.64947E+00 -0.1874 65 BaF+ 0.17149E-09 -9.7658 0.11138E-09 -9.9532 0.64947E+00 -0.1874 66 CH4,aq 0.31399E-10 -10.5031 0.28931E-10 -10.5386 0.92137E+00 -0.0356 72 CO2,aq 0.11135E+00 -0.9533 0.10260E+00 -0.9889 0.92137E+00 -0.0356 73 CO3-2 0.34998E-06 -6.4560 0.58976E-07 -7.2293 0.16851E+00 -0.7734 74 CaCO3,aq 0.47793E-07 -7.3206 0.47793E-07 -7.3206 0.10000E+01 0.0000 75 Ca(HCO3)+ 0.18185E-04 -4.7403 0.11811E-04 -4.9277 0.64947E+00 -0.1874 76 CaCl+ 0.60447E-04 -4.2186 0.39258E-04 -4.4061 0.64947E+00 -0.1874 77 CaCl2,aq 0.26737E-05 -5.5729 0.26737E-05 -5.5729 0.10000E+01 0.0000 78 CaF+ 0.56592E-06 -6.2472 0.36754E-06 -6.4347 0.64947E+00 -0.1874 79 CaOH+ 0.30079E-09 -9.5217 0.19535E-09 -9.7092 0.64947E+00 -0.1874 80 CaSO4,aq 0.25569E-06 -6.5923 0.25569E-06 -6.5923 0.10000E+01 0.0000 81 HCl,aq 0.10519E-05 -5.9780 0.10519E-05 -5.9780 0.10000E+01 0.0000 90 CuCl,aq 0.34977E-10 -10.4562 0.34977E-10 -10.4562 0.10000E+01 0.0000 91 CuCl2- 0.28989E-09 -9.5378 0.18835E-09 -9.7250 0.64972E+00 -0.1873 92 CuCl3-2 0.24806E-10 -10.6054 0.41801E-11 -11.3788 0.16851E+00 -0.7734 98 HF,aq 0.20177E-04 -4.6951 0.20177E-04 -4.6951 0.10000E+01 0.0000 99 HF2- 0.29870E-08 -8.5248 0.19407E-08 -8.7120 0.64972E+00 -0.1873 101 FeCl+ 0.46652E-07 -7.3311 0.30299E-07 -7.5186 0.64947E+00 -0.1874 104 FeF+ 0.16128E-08 -8.7924 0.10474E-08 -8.9799 0.64947E+00 -0.1874 107 FeOH+ 0.17682E-09 -9.7525 0.11484E-09 -9.9399 0.64947E+00 -0.1874 113 H2,aq 0.76148E-09 -9.1183 0.70160E-09 -9.1539 0.92137E+00 -0.0356 114 KCl,aq 0.37459E-04 -4.4264 0.37459E-04 -4.4264 0.10000E+01 0.0000 116 KOH,aq 0.19068E-09 -9.7197 0.19068E-09 -9.7197 0.10000E+01 0.0000 117 KSO4- 0.21045E-05 -5.6769 0.13673E-05 -5.8641 0.64972E+00 -0.1873 118 MgCO3,aq 0.10249E-08 -8.9893 0.10249E-08 -8.9893 0.10000E+01 0.0000 119 Mg(HCO3)+ 0.14944E-05 -5.8255 0.97056E-06 -6.0130 0.64947E+00 -0.1874 120 MgCl+ 0.47677E-05 -5.3217 0.30964E-05 -5.5091 0.64947E+00 -0.1874 121 MgF+ 0.17447E-06 -6.7583 0.11331E-06 -6.9457 0.64947E+00 -0.1874 122 MgOH+ 0.14962E-09 -9.8250 0.97175E-10 -10.0124 0.64947E+00 -0.1874 124 MnF+ 0.95018E-08 -8.0222 0.61711E-08 -8.2096 0.64947E+00 -0.1874 126 MnOH+ 0.28359E-09 -9.5473 0.18418E-09 -9.7348 0.64947E+00 -0.1874 131 MnCl+ 0.27610E-05 -5.5589 0.17932E-05 -5.7464 0.64947E+00 -0.1874 132 MnSO4,aq 0.31899E-08 -8.4962 0.31899E-08 -8.4962 0.10000E+01 0.0000 133 NaCl,aq 0.27186E-01 -1.5657 0.27186E-01 -1.5657 0.10000E+01 0.0000 134 NaF,aq 0.19169E-04 -4.7174 0.19169E-04 -4.7174 0.10000E+01 0.0000 135 NaOH,aq 0.66839E-08 -8.1750 0.66839E-08 -8.1750 0.10000E+01 0.0000 137 OH- 0.50510E-07 -7.2966 0.33004E-07 -7.4814 0.65342E+00 -0.1848 140 PbCl+ 0.35391E-08 -8.4511 0.22985E-08 -8.6386 0.64947E+00 -0.1874 141 PbCl2,aq 0.36456E-08 -8.4382 0.36456E-08 -8.4382 0.10000E+01 0.0000 142 PbCl3- 0.80688E-09 -9.0932 0.52425E-09 -9.2805 0.64972E+00 -0.1873 143 PbCl4-2 0.28709E-09 -9.5420 0.48379E-10 -10.3153 0.16851E+00 -0.7734 150 H2S,aq 0.20086E-05 -5.6971 0.18507E-05 -5.7327 0.92137E+00 -0.0356 159 HSO4- 0.11142E-06 -6.9531 0.72845E-07 -7.1376 0.65381E+00 -0.1845 173 ZnCl+ 0.33145E-06 -6.4796 0.21527E-06 -6.6670 0.64947E+00 -0.1874 174 ZnCl2,aq 0.40361E-07 -7.3940 0.40361E-07 -7.3940 0.10000E+01 0.0000 175 ZnCl3- 0.34354E-08 -8.4640 0.22321E-08 -8.6513 0.64972E+00 -0.1873 176 ZnF+ 0.18458E-09 -9.7338 0.11988E-09 -9.9213 0.64947E+00 -0.1874 178 ZnOH+ 0.40210E-08 -8.3957 0.26115E-08 -8.5831 0.64947E+00 -0.1874 Charge balance for all species = -.4466E-04 Component Molality Aq.molality ppm log[A(N)/A(H+)**Z] (total) 1 H+ 0.2189890E-04 0.1114415E+00 0.1083019E+03 0.0000 2 H2O 0.1000000E+01 0.5539688E+02 0.9622358E+06 0.0000 3 Cl- 0.5051570E+00 0.5324556E+00 0.1820083E+05 4.3489 4 SO4-- 0.6251816E-04 0.6499273E-04 0.6019624E+01 4.6912 5 HCO3- 0.9192292E-02 0.1205650E+00 0.7092970E+04 2.6097 6 HS- 0.7549023E-07 0.2085967E-05 0.6651546E-01 -2.4767 7 H4SiO4 0.8855764E-03 0.8860737E-03 0.8211406E+02 -3.0528 8 Al+++ 0.2877122E-10 0.9089548E-09 0.2364629E-04 2.2104 9 Ca++ 0.6431628E-03 0.7253384E-03 0.2802860E+02 5.6856 10 Mg++ 0.5274509E-04 0.5918285E-04 0.1387303E+01 4.5942 11 Fe++ 0.4923097E-06 0.5407510E-06 0.2911735E-01 2.5653 12 K+ 0.1562199E-01 0.1566155E-01 0.5904572E+03 2.8387 13 Na+ 0.4978072E+00 0.5250129E+00 0.1163750E+05 4.3399 14 Mn++ 0.9104808E-05 0.1187882E-04 0.6292178E+00 3.8332 15 Zn++ 0.9337077E-07 0.4728273E-06 0.2980134E-01 1.8433 16 Cu+ 0.2704124E-13 0.3497041E-09 0.2142410E-04 -8.9251 17 Pb++ 0.9124052E-09 0.9203647E-08 0.1838584E-02 -0.1580 18 Ag+ 0.6556571E-13 0.1930919E-08 0.2008258E-03 -8.5389 19 Au+ 0.1369441E-24 0.4224413E-12 0.8022589E-07 -20.2182 20 Ba++ 0.1220850E-05 0.1400357E-05 0.1854345E+00 2.9719 21 F- 0.5208091E-03 0.5609131E-03 0.1027444E+02 1.3657 22 H2AsO3- 0.1175122E-07 0.4466645E-04 0.5380501E+01 -3.2539 Component Tot moles Aq. moles Solid moles Gas moles 1 H+ 0.3234352E+00 0.3234479E+00 -.1275145E-04 0.0000000E+00 2 H2O 0.1607835E+03 0.1607840E+03 -.4776101E-03 0.0000000E+00 3 Cl- 0.1545400E+01 0.1545400E+01 0.0000000E+00 0.0000000E+00 4 SO4-- 0.1886393E-03 0.1886350E-03 0.4228149E-08 0.0000000E+00 5 HCO3- 0.3499280E+00 0.3499280E+00 0.0000000E+00 0.0000000E+00 6 HS- 0.1403031E-04 0.6054314E-05 0.7975996E-05 0.0000000E+00 7 H4SiO4 0.2811741E-02 0.2571742E-02 0.2399989E-03 0.0000000E+00 8 Al+++ 0.2407279E-05 0.2638152E-08 0.2404641E-05 0.0000000E+00 9 Ca++ 0.2105223E-02 0.2105223E-02 0.0000000E+00 0.0000000E+00 10 Mg++ 0.1717724E-03 0.1717724E-03 0.0000000E+00 0.0000000E+00 11 Fe++ 0.1603305E-05 0.1569477E-05 0.3382843E-07 0.0000000E+00 12 K+ 0.4545612E-01 0.4545612E-01 0.0000000E+00 0.0000000E+00 13 Na+ 0.1523798E+01 0.1523798E+01 0.0000000E+00 0.0000000E+00 14 Mn++ 0.3447712E-04 0.3447712E-04 0.0000000E+00 0.0000000E+00 15 Zn++ 0.7468176E-05 0.1372335E-05 0.6095841E-05 0.0000000E+00 16 Cu+ 0.1701571E-06 0.1014982E-08 0.1691421E-06 0.0000000E+00 17 Pb++ 0.1565021E-05 0.2671268E-07 0.1538308E-05 0.0000000E+00 18 Ag+ 0.4271281E-06 0.5604303E-08 0.4215238E-06 0.0000000E+00 19 Au+ 0.3110961E-11 0.1226094E-11 0.1884866E-11 0.0000000E+00 20 Ba++ 0.4064400E-05 0.4064400E-05 0.0000000E+00 0.0000000E+00 21 F- 0.1630400E-02 0.1627995E-02 0.2404641E-05 0.0000000E+00 22 H2AsO3- 0.1296400E-03 0.1296400E-03 0.0000000E+00 0.0000000E+00 Chg. balance for solid moles: -.3388E-20 Mass of aqueous solution: 0.301025E+04 g Temperature = 87.32 C Pressure = 500.00 bar Mixer frac. = 1.9000000 Log Log Vol Gas or mineral Moles Moles Grams Grams Wt.% (cm3) quartz 0.2388E-03 -3.622 0.1435E-01 -1.843 91.97 0.5418E-02 argentite 0.2108E-06 -6.676 0.5223E-04 -4.282 0.3348 0.7334E-05 bornite 0.3383E-07 -7.471 0.1698E-04 -4.770 0.1088 0.3340E-05 topaz 0.1202E-05 -5.920 0.2213E-03 -3.655 1.419 0.6195E-04 galena 0.1538E-05 -5.813 0.3680E-03 -3.434 2.359 0.4844E-04 gold,native 0.1885E-11 -11.725 0.3713E-09 -9.430 0.2380E-05 0.1925E-10 silver,native 0.1348E-11 -11.870 0.1454E-09 -9.837 0.9324E-06 0.1385E-10 sphalerite 0.6096E-05 -5.215 0.5939E-03 -3.226 3.807 0.1452E-03 Partial press. Fugacity coef Log fugacity Gas or Mineral Mole fraction or activity Activity coef Log activity quartz 0.1000E+01 0.1000E+01 1.0000 0.000 argentite 0.1000E+01 0.1000E+01 1.0000 0.000 bornite 0.1000E+01 0.1000E+01 1.0000 0.000 topaz 0.1000E+01 0.1000E+01 1.0000 0.000 galena 0.1000E+01 0.1000E+01 1.0000 0.000 gold,native 0.5830E+00 0.2540E+00 0.4357 -0.595 silver,native 0.4170E+00 0.5626E-01 0.1349 -1.250 sphalerite 0.1000E+01 0.1000E+01 1.0000 0.000 Total fraction of mixing solution added: 1.9000000 Solid products produced: Mass = 0.015599 g Volume = 0.005684 cm3 WARNING: mineral volume may be in error because some mineral densities were not supplied in SOLTHERM. See mineral list in file Skip_Species.txt. Gas composition at saturation ( 3 iterations) ------------------------------------------------- Temperature: 87.3161 deg.C Sat. pressure: 20.4430 bar Gas Mole fraction phi Fugacity Partial P(bar) H2O,gas 0.4510E-01 0.8882 0.8190E+00 0.9220E+00 CO2,gas 0.9521E+00 0.9362 0.1822E+02 0.1946E+02 CH4,gas 0.3996E-08 1.0157 0.8297E-07 0.8169E-07 H2,gas 0.7038E-07 1.0113 0.1455E-05 0.1439E-05 H2S,gas 0.4165E-05 0.9177 0.7814E-04 0.8515E-04 S2,gas 0.7708E-18 1.0000 0.1576E-16 0.1576E-16 CO,gas 0.2680E-09 1.0000 0.5479E-08 0.5479E-08 SO3,gas 0.2384E-32 1.0000 0.4873E-31 0.4873E-31 O2,gas 0.2759E-02 1.0000 0.5640E-01 0.5640E-01 SO2,gas 0.8403E-15 1.0000 0.1718E-13 0.1718E-13 HF,gas 0.1783E-08 1.0000 0.3644E-07 0.3644E-07 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 148 quartz -3.04 -3.04 0.00 0.000 0.00000E+00 197 argentite -29.22 -29.22 0.00 0.000 0.00000E+00 206 bornite -90.94 -90.94 0.00 0.000 0.23440E-10 226 topaz -15.23 -15.23 0.00 0.000 -0.58600E-11 261 galena -12.30 -12.30 0.00 0.000 0.87899E-11 262 gold,native -19.31 -19.31 0.00 0.000 0.58600E-11 263 silver,native -6.98 -6.98 0.00 0.000 -0.29300E-11 273 sphalerite -10.30 -10.30 0.00 0.000 0.29300E-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 1 H2O,gas 2.78 -0.01 -2.79 -2.786 0.45948E+04 -0.087 2 CO2,gas -5.61 -7.05 -1.44 -0.479 0.23725E+04 1.261 3 CH4,gas 5.21 -4.57 -9.78 -2.445 0.16132E+05 -7.081 4 H2,gas 9.15 0.62 -8.54 -4.878 0.14080E+05 -5.837 5 H2S,gas -5.34 -12.14 -6.81 -3.403 0.11226E+05 -4.107 6 S2,gas -6.02 -25.52 -19.50 -3.000 0.32166E+05 -16.803 7 CO,gas 4.54 -6.42 -10.96 -3.372 0.18078E+05 -8.261 8 SO3,gas 19.38 -14.63 -34.01 -8.503 0.56099E+05 -31.312 9 O2,gas 52.65 -1.25 -53.90 -35.936 0.88910E+05 -51.204 10 SO2,gas 2.46 -14.01 -16.46 -4.390 0.27156E+05 -13.765 11 HF,gas 1.84 -8.30 -10.14 -5.069 0.16721E+05 -7.438 12 HCl,gas 6.49 -5.32 -11.81 -5.904 0.19477E+05 -11.809 17 albite-high 1.58 -2.58 -4.15 -0.319 0.68500E+04 18 albite 0.43 -2.58 -3.00 -0.231 0.49555E+04 22 analcite 4.19 0.45 -3.74 -0.416 0.61722E+04 26 anhydrite -4.79 -8.95 -4.16 -2.080 0.68632E+04 27 ankerite -1.47 -5.86 -4.39 -0.732 0.72395E+04 34 aragonite 1.31 -1.37 -2.68 -0.892 0.44162E+04 36 calcite 1.17 -1.37 -2.54 -0.847 0.41896E+04 53 coesite -2.42 -3.04 -0.62 -0.206 0.10212E+04 60 cristobalite -2.55 -3.04 -0.49 -0.163 0.80483E+03 65 diaspore 3.57 2.19 -1.37 -0.229 0.22652E+04 66 diamond -3.33 -5.80 -2.47 -0.706 0.40765E+04 83 gibbsite 4.74 2.19 -2.55 -0.365 0.42091E+04 86 goethite 6.87 2.24 -4.63 -1.000 0.76313E+04 87 graphite -3.77 -5.80 -2.03 -0.580 0.33504E+04 90 halite 1.65 -0.98 -2.63 -1.315 0.43365E+04 96 jadeite 4.96 0.46 -4.50 -0.450 0.74188E+04 99 kaolinite -0.13 -1.69 -1.56 -0.142 0.25772E+04 107 magnesite 1.11 -2.46 -3.57 -1.190 0.58867E+04 117 microcline -1.81 -4.08 -2.27 -0.174 0.37398E+04 121 muscovite 4.62 0.31 -4.31 -0.253 0.71045E+04 122 paragonite 6.38 1.81 -4.57 -0.269 0.75301E+04 143 pyrite -21.48 -22.34 -0.85 -0.201 0.14077E+04 145 pyrrhotiteFe0.875 -5.86 -9.97 -4.11 -1.512 0.67794E+04 147 pyrophyllite -4.95 -7.76 -2.80 -0.175 0.46265E+04 153 rhodochrosite -0.69 -3.22 -2.53 -0.843 0.41694E+04 155 sanidine -0.56 -4.08 -3.52 -0.271 0.58054E+04 157 siderite -2.29 -4.49 -2.20 -0.732 0.36229E+04 165 stilbite -6.26 -11.24 -4.98 -0.237 0.82085E+04 171 sulfur -9.20 -12.76 -3.55 -1.094 0.58628E+04 172 sylvite 1.37 -2.48 -3.84 -1.922 0.63417E+04 180 topaz-H 5.98 1.35 -4.62 -0.420 0.76279E+04 181 tridymite -2.62 -3.04 -0.42 -0.139 0.68834E+03 198 arsenic -7.53 -11.97 -4.44 -1.146 0.73261E+04 205 beidellite-Na 0.24 -4.60 -4.84 -0.296 0.79793E+04 208 chalcedony -2.84 -3.04 -0.19 -0.065 0.31995E+03 209 chalcocite -28.74 -29.99 -1.25 -0.313 0.20628E+04 211 covellite -20.45 -21.38 -0.93 -0.353 0.15271E+04 212 dawsonite 2.32 -0.52 -2.84 -0.356 0.46914E+04 217 montmorillonite-Na -0.80 -5.54 -4.74 -0.290 0.78234E+04 230 gypsum -4.59 -8.97 -4.38 -1.095 0.72276E+04 246 acanthite -29.15 -29.22 -0.07 -0.018 0.12169E+03 252 barite -9.17 -11.67 -2.50 -1.248 0.41156E+04 253 boehmite 5.19 2.19 -3.00 -0.500 0.49465E+04 254 cerussite -2.70 -7.21 -4.51 -1.503 0.74371E+04 255 chalcopyrite -29.03 -30.95 -1.93 -0.358 0.31762E+04 260 fluorite -9.59 -10.91 -1.33 -0.443 0.21915E+04 270 silica-amorphous -2.05 -3.04 -0.99 -0.329 0.16282E+04 271 smithsonite -0.38 -5.21 -4.84 -1.612 0.79770E+04 274 wurtzite -8.40 -10.30 -1.90 -0.633 0.31339E+04 276 an20ab80 3.11 -1.26 -4.37 -0.336 0.72037E+04 277 an25ab75 3.80 -0.93 -4.74 -0.364 0.78114E+04 Calculations done for 87.3161 Deg. C; 500.0000 bar Mixer fraction: 1.9000000 Temperature Stoc.ionic strength Heat per mole Actual solution: 87.316 .60008E+00 1.742 Mixing solution: 25.000 .50000E-10 0.646 Fract. of mixing solution added: 0.100000 BITMOL = 0.5551E+01 OLDMOL = 0.1625E+03 New heat: 1.706 New temperature: 85.268 New mixer fraction: 2.0000000 Resulting temperature: 85.268Deg. C Solids and gases carried Charge balance check after fractionation or titration: TBAL = -.1296E-03 ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ Test file for CHIM-XPT. Mixing of cold water into metal bearing water starting at 199.97 C. Illustrates fluid-fluid mixing. CHIMRUN demo-3 ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ Number of loops used = 7 Loop limit = 70 Temperature = 85.27 C Pressure = 500.00 bar Mixer fraction = 2.0000000 Water: Moles liquid = 0.1667E+03 kg liquid = 0.3002E+01 Moles total = 0.1663E+03 kg total = 0.2997E+01 Activity = 0.9829 Stoichiometric ionic strength = .5800572E+00 Osmotic coef. = 0.9275 True ionic strength = .4996613E+00 Chg. balance for total moles = -.1296E-03 Max. difference allowed = 0.1545E-03 Log Log Log Species(n) Molality Molality Activity Activity Gamma Gamma 1 H+ 0.22059E-04 -4.6564 0.14880E-04 -4.8274 0.67458E+00 -0.1710 2 H2O 0.98294E+00 -0.0075 0.98294E+00 -0.0075 3 Cl- 0.48942E+00 -0.3103 0.31923E+00 -0.4959 0.65226E+00 -0.1856 4 SO4-- 0.60507E-04 -4.2182 0.10520E-04 -4.9780 0.17386E+00 -0.7598 5 HCO3- 0.88872E-02 -2.0512 0.58072E-02 -2.2360 0.65344E+00 -0.1848 6 HS- 0.70188E-07 -7.1537 0.45782E-07 -7.3393 0.65227E+00 -0.1856 7 H4SiO4 0.85155E-03 -3.0698 0.85155E-03 -3.0698 0.10000E+01 0.0000 8 Al+++ 0.33096E-10 -10.4802 0.62734E-12 -12.2025 0.18955E-01 -1.7223 9 Ca++ 0.62469E-03 -3.2043 0.10433E-03 -3.9816 0.16700E+00 -0.7773 10 Mg++ 0.51169E-04 -4.2910 0.84492E-05 -5.0732 0.16512E+00 -0.7822 11 Fe++ 0.47735E-06 -6.3212 0.78990E-07 -7.1024 0.16548E+00 -0.7813 12 K+ 0.15104E-01 -1.8209 0.98381E-02 -2.0071 0.65135E+00 -0.1862 13 Na+ 0.48231E+00 -0.3167 0.31277E+00 -0.5048 0.64848E+00 -0.1881 14 Mn++ 0.89335E-05 -5.0490 0.14811E-05 -5.8294 0.16579E+00 -0.7804 15 Zn++ 0.93907E-07 -7.0273 0.15539E-07 -7.8086 0.16548E+00 -0.7813 16 Cu+ 0.22972E-13 -13.6388 0.14896E-13 -13.8269 0.64845E+00 -0.1881 17 Pb++ 0.84156E-09 -9.0749 0.14196E-09 -9.8478 0.16868E+00 -0.7729 18 Ag+ 0.55235E-13 -13.2578 0.35936E-13 -13.4445 0.65061E+00 -0.1867 19 Au+ 0.10169E-24 -24.9927 0.66278E-25 -25.1786 0.65180E+00 -0.1859 20 Ba++ 0.11892E-05 -5.9248 0.20211E-06 -6.6944 0.16996E+00 -0.7697 21 F- 0.50478E-03 -3.2969 0.33214E-03 -3.4787 0.65799E+00 -0.1818 22 H2AsO3- 0.10517E-07 -7.9781 0.73449E-08 -8.1340 0.69838E+00 -0.1559 24 HSiO3- 0.10216E-06 -6.9907 0.66636E-07 -7.1763 0.65226E+00 -0.1856 25 Ca(HSiO3)+ 0.17496E-09 -9.7571 0.11404E-09 -9.9429 0.65180E+00 -0.1859 26 Mg(HSiO3)+ 0.18745E-10 -10.7271 0.12218E-10 -10.9130 0.65180E+00 -0.1859 27 NaHSiO3,aq 0.35456E-06 -6.4503 0.35456E-06 -6.4503 0.10000E+01 0.0000 32 AgCl2- 0.18820E-09 -9.7254 0.12275E-09 -9.9110 0.65226E+00 -0.1856 33 AgCl3-2 0.42002E-10 -10.3767 0.72510E-11 -11.1396 0.17263E+00 -0.7629 38 Ag(HS),aq 0.15505E-08 -8.8095 0.15505E-08 -8.8095 0.10000E+01 0.0000 40 AlO+ 0.10239E-09 -9.9897 0.66740E-10 -10.1756 0.65180E+00 -0.1859 41 AlOH+2 0.55037E-10 -10.2593 0.91470E-11 -11.0387 0.16620E+00 -0.7794 42 HAlO2,aq 0.55624E-09 -9.2547 0.55624E-09 -9.2547 0.10000E+01 0.0000 43 AlO2- 0.89331E-10 -10.0490 0.58618E-10 -10.2320 0.65619E+00 -0.1830 44 AsO2- 0.85995E-08 -8.0655 0.56091E-08 -8.2511 0.65226E+00 -0.1856 45 HAsO2,aq 0.18683E-04 -4.7285 0.18683E-04 -4.7285 0.10000E+01 0.0000 46 H3AsO3,aq 0.24476E-04 -4.6113 0.24476E-04 -4.6113 0.10000E+01 0.0000 62 BaCO3,aq 0.19876E-10 -10.7017 0.19876E-10 -10.7017 0.10000E+01 0.0000 63 Ba(HCO3)+ 0.66144E-07 -7.1795 0.43272E-07 -7.3638 0.65421E+00 -0.1843 64 BaCl+ 0.98226E-07 -7.0078 0.64024E-07 -7.1937 0.65180E+00 -0.1859 65 BaF+ 0.15989E-09 -9.7962 0.10422E-09 -9.9821 0.65180E+00 -0.1859 66 CH4,aq 0.28861E-10 -10.5397 0.26633E-10 -10.5746 0.92278E+00 -0.0349 72 CO2,aq 0.10764E+00 -0.9680 0.99331E-01 -1.0029 0.92278E+00 -0.0349 73 CO3-2 0.32673E-06 -6.4858 0.56405E-07 -7.2487 0.17263E+00 -0.7629 74 CaCO3,aq 0.43375E-07 -7.3628 0.43375E-07 -7.3628 0.10000E+01 0.0000 75 Ca(HCO3)+ 0.16976E-04 -4.7702 0.11065E-04 -4.9561 0.65180E+00 -0.1859 76 CaCl+ 0.56254E-04 -4.2498 0.36666E-04 -4.4357 0.65180E+00 -0.1859 77 CaCl2,aq 0.24478E-05 -5.6112 0.24478E-05 -5.6112 0.10000E+01 0.0000 78 CaF+ 0.52709E-06 -6.2781 0.34356E-06 -6.4640 0.65180E+00 -0.1859 79 CaOH+ 0.25526E-09 -9.5930 0.16638E-09 -9.7789 0.65180E+00 -0.1859 80 CaSO4,aq 0.24552E-06 -6.6099 0.24552E-06 -6.6099 0.10000E+01 0.0000 81 HCl,aq 0.10302E-05 -5.9871 0.10302E-05 -5.9871 0.10000E+01 0.0000 90 CuCl,aq 0.29447E-10 -10.5310 0.29447E-10 -10.5310 0.10000E+01 0.0000 91 CuCl2- 0.23669E-09 -9.6258 0.15438E-09 -9.8114 0.65226E+00 -0.1856 92 CuCl3-2 0.19717E-10 -10.7052 0.34039E-11 -11.4680 0.17263E+00 -0.7629 98 HF,aq 0.19024E-04 -4.7207 0.19024E-04 -4.7207 0.10000E+01 0.0000 99 HF2- 0.27167E-08 -8.5660 0.17720E-08 -8.7515 0.65226E+00 -0.1856 101 FeCl+ 0.43704E-07 -7.3595 0.28486E-07 -7.5454 0.65180E+00 -0.1859 104 FeF+ 0.15198E-08 -8.8182 0.99058E-09 -9.0041 0.65180E+00 -0.1859 107 FeOH+ 0.15716E-09 -9.8037 0.10244E-09 -9.9895 0.65180E+00 -0.1859 113 H2,aq 0.66442E-09 -9.1776 0.61312E-09 -9.2125 0.92278E+00 -0.0349 114 KCl,aq 0.33732E-04 -4.4720 0.33732E-04 -4.4720 0.10000E+01 0.0000 116 KOH,aq 0.16487E-09 -9.7829 0.16487E-09 -9.7829 0.10000E+01 0.0000 117 KSO4- 0.19682E-05 -5.7059 0.12838E-05 -5.8915 0.65226E+00 -0.1856 118 MgCO3,aq 0.94359E-09 -9.0252 0.94359E-09 -9.0252 0.10000E+01 0.0000 119 Mg(HCO3)+ 0.13940E-05 -5.8557 0.90862E-06 -6.0416 0.65180E+00 -0.1859 120 MgCl+ 0.44840E-05 -5.3483 0.29227E-05 -5.5342 0.65180E+00 -0.1859 121 MgF+ 0.16329E-06 -6.7870 0.10643E-06 -6.9729 0.65180E+00 -0.1859 122 MgOH+ 0.12935E-09 -9.8882 0.84309E-10 -10.0741 0.65180E+00 -0.1859 124 MnF+ 0.90204E-08 -8.0448 0.58795E-08 -8.2307 0.65180E+00 -0.1859 126 MnOH+ 0.25168E-09 -9.5991 0.16405E-09 -9.7850 0.65180E+00 -0.1859 131 MnCl+ 0.25373E-05 -5.5956 0.16538E-05 -5.7815 0.65180E+00 -0.1859 132 MnSO4,aq 0.30720E-08 -8.5126 0.30720E-08 -8.5126 0.10000E+01 0.0000 133 NaCl,aq 0.25198E-01 -1.5986 0.25198E-01 -1.5986 0.10000E+01 0.0000 134 NaF,aq 0.17720E-04 -4.7515 0.17720E-04 -4.7515 0.10000E+01 0.0000 135 NaOH,aq 0.58606E-08 -8.2321 0.58606E-08 -8.2321 0.10000E+01 0.0000 137 OH- 0.45663E-07 -7.3404 0.29964E-07 -7.5234 0.65619E+00 -0.1830 140 PbCl+ 0.31553E-08 -8.5010 0.20566E-08 -8.6868 0.65180E+00 -0.1859 141 PbCl2,aq 0.31167E-08 -8.5063 0.31167E-08 -8.5063 0.10000E+01 0.0000 142 PbCl3- 0.66386E-09 -9.1779 0.43301E-09 -9.3635 0.65226E+00 -0.1856 143 PbCl4-2 0.22717E-09 -9.6436 0.39217E-10 -10.4065 0.17263E+00 -0.7629 150 H2S,aq 0.19216E-05 -5.7163 0.17732E-05 -5.7512 0.92278E+00 -0.0349 159 HSO4- 0.10416E-06 -6.9823 0.68335E-07 -7.1654 0.65605E+00 -0.1831 173 ZnCl+ 0.29871E-06 -6.5247 0.19470E-06 -6.7106 0.65180E+00 -0.1859 174 ZnCl2,aq 0.35702E-07 -7.4473 0.35702E-07 -7.4473 0.10000E+01 0.0000 175 ZnCl3- 0.30005E-08 -8.5228 0.19571E-08 -8.7084 0.65226E+00 -0.1856 176 ZnF+ 0.17986E-09 -9.7451 0.11723E-09 -9.9310 0.65180E+00 -0.1859 178 ZnOH+ 0.35494E-08 -8.4498 0.23135E-08 -8.6357 0.65180E+00 -0.1859 Charge balance for all species = -.4317E-04 Component Molality Aq.molality ppm log[A(N)/A(H+)**Z] (total) 1 H+ 0.2205872E-04 0.1077297E+00 0.1048199E+03 0.0000 2 H2O 0.1000000E+01 0.5540059E+02 0.9634504E+06 0.0000 3 Cl- 0.4894196E+00 0.5147212E+00 0.1761564E+05 4.3315 4 SO4-- 0.6050730E-04 0.6282803E-04 0.5826084E+01 4.6768 5 HCO3- 0.8887218E-02 0.1165493E+00 0.6864921E+04 2.5914 6 HS- 0.7018806E-07 0.1993502E-05 0.6364299E-01 -2.5119 7 H4SiO4 0.8515475E-03 0.8520044E-03 0.7905117E+02 -3.0698 8 Al+++ 0.3309576E-10 0.8361004E-09 0.2177700E-04 2.2797 9 Ca++ 0.6246861E-03 0.7011797E-03 0.2712744E+02 5.6732 10 Mg++ 0.5116926E-04 0.5721166E-04 0.1342699E+01 4.5816 11 Fe++ 0.4773486E-06 0.5227298E-06 0.2818063E-01 2.5523 12 K+ 0.1510421E-01 0.1513991E-01 0.5714732E+03 2.8203 13 Na+ 0.4823101E+00 0.5075264E+00 0.1126334E+05 4.3226 14 Mn++ 0.8933504E-05 0.1148318E-04 0.6089876E+00 3.8254 15 Zn++ 0.9390658E-07 0.4350505E-06 0.2745312E-01 1.8462 16 Cu+ 0.2297202E-13 0.2858796E-09 0.1753492E-04 -8.9995 17 Pb++ 0.8415584E-09 0.8015914E-08 0.1603228E-02 -0.1931 18 Ag+ 0.5523520E-13 0.1790552E-08 0.1864494E-03 -8.6171 19 Au+ 0.1016850E-24 0.3788436E-12 0.7203223E-07 -20.3512 20 Ba++ 0.1189167E-05 0.1353716E-05 0.1794726E+00 2.9604 21 F- 0.5047797E-03 0.5422309E-03 0.9944103E+01 1.3487 22 H2AsO3- 0.1051714E-07 0.4317876E-04 0.5207511E+01 -3.3066 Component Tot moles Aq. moles Solid moles Gas moles 1 H+ 0.3234352E+00 0.3234480E+00 -.1282070E-04 0.0000000E+00 2 H2O 0.1663344E+03 0.1663349E+03 -.5049741E-03 0.0000000E+00 3 Cl- 0.1545400E+01 0.1545400E+01 0.0000000E+00 0.0000000E+00 4 SO4-- 0.1886393E-03 0.1886350E-03 0.4232049E-08 0.0000000E+00 5 HCO3- 0.3499280E+00 0.3499280E+00 0.0000000E+00 0.0000000E+00 6 HS- 0.1403031E-04 0.5985295E-05 0.8045016E-05 0.0000000E+00 7 H4SiO4 0.2811741E-02 0.2558060E-02 0.2536810E-03 0.0000000E+00 8 Al+++ 0.2407279E-05 0.2510310E-08 0.2404769E-05 0.0000000E+00 9 Ca++ 0.2105223E-02 0.2105223E-02 0.0000000E+00 0.0000000E+00 10 Mg++ 0.1717724E-03 0.1717724E-03 0.0000000E+00 0.0000000E+00 11 Fe++ 0.1603305E-05 0.1569445E-05 0.3385976E-07 0.0000000E+00 12 K+ 0.4545612E-01 0.4545612E-01 0.0000000E+00 0.0000000E+00 13 Na+ 0.1523798E+01 0.1523798E+01 0.0000000E+00 0.0000000E+00 14 Mn++ 0.3447712E-04 0.3447712E-04 0.0000000E+00 0.0000000E+00 15 Zn++ 0.7468176E-05 0.1306197E-05 0.6161980E-05 0.0000000E+00 16 Cu+ 0.1701571E-06 0.8583256E-09 0.1692988E-06 0.0000000E+00 17 Pb++ 0.1565021E-05 0.2406700E-07 0.1540954E-05 0.0000000E+00 18 Ag+ 0.4271281E-06 0.5375957E-08 0.4217521E-06 0.0000000E+00 19 Au+ 0.3110961E-11 0.1137441E-11 0.1973520E-11 0.0000000E+00 20 Ba++ 0.4064400E-05 0.4064400E-05 0.0000000E+00 0.0000000E+00 21 F- 0.1630400E-02 0.1627995E-02 0.2404769E-05 0.0000000E+00 22 H2AsO3- 0.1296400E-03 0.1296400E-03 0.0000000E+00 0.0000000E+00 Chg. balance for solid moles: -.8470E-21 Mass of aqueous solution: 0.311025E+04 g Temperature = 85.27 C Pressure = 500.00 bar Mixer frac. = 2.0000000 Log Log Vol Gas or mineral Moles Moles Grams Grams Wt.% (cm3) quartz 0.2525E-03 -3.598 0.1517E-01 -1.819 92.33 0.5728E-02 argentite 0.2109E-06 -6.676 0.5225E-04 -4.282 0.3181 0.7338E-05 bornite 0.3386E-07 -7.470 0.1699E-04 -4.770 0.1034 0.3343E-05 topaz 0.1202E-05 -5.920 0.2213E-03 -3.655 1.347 0.6195E-04 galena 0.1541E-05 -5.812 0.3687E-03 -3.433 2.244 0.4852E-04 gold,native 0.1974E-11 -11.705 0.3887E-09 -9.410 0.2366E-05 0.2016E-10 silver,native 0.1394E-11 -11.856 0.1504E-09 -9.823 0.9153E-06 0.1432E-10 sphalerite 0.6162E-05 -5.210 0.6004E-03 -3.222 3.654 0.1468E-03 Partial press. Fugacity coef Log fugacity Gas or Mineral Mole fraction or activity Activity coef Log activity quartz 0.1000E+01 0.1000E+01 1.0000 0.000 argentite 0.1000E+01 0.1000E+01 1.0000 0.000 bornite 0.1000E+01 0.1000E+01 1.0000 0.000 topaz 0.1000E+01 0.1000E+01 1.0000 0.000 galena 0.1000E+01 0.1000E+01 1.0000 0.000 gold,native 0.5860E+00 0.2574E+00 0.4392 -0.589 silver,native 0.4140E+00 0.5410E-01 0.1307 -1.267 sphalerite 0.1000E+01 0.1000E+01 1.0000 0.000 Total fraction of mixing solution added: 2.0000000 Solid products produced: Mass = 0.016428 g Volume = 0.005996 cm3 WARNING: mineral volume may be in error because some mineral densities were not supplied in SOLTHERM. See mineral list in file Skip_Species.txt. Gas composition at saturation ( 3 iterations) ------------------------------------------------- Temperature: 85.2677 deg.C Sat. pressure: 19.2640 bar Gas Mole fraction phi Fugacity Partial P(bar) H2O,gas 0.4402E-01 0.8940 0.7581E+00 0.8480E+00 CO2,gas 0.9560E+00 0.9385 0.1728E+02 0.1842E+02 CH4,gas 0.3901E-08 1.0147 0.7624E-07 0.7514E-07 H2,gas 0.6584E-07 1.0107 0.1282E-05 0.1268E-05 H2S,gas 0.4143E-05 0.9211 0.7352E-04 0.7982E-04 S2,gas 0.6737E-18 1.0000 0.1298E-16 0.1298E-16 CO,gas 0.2374E-09 1.0000 0.4574E-08 0.4574E-08 SO3,gas 0.1599E-32 1.0000 0.3081E-31 0.3081E-31 O2,gas 0.2834E-55 1.0000 0.5460E-54 0.5460E-54 SO2,gas 0.7056E-15 1.0000 0.1359E-13 0.1359E-13 HF,gas 0.1634E-08 1.0000 0.3148E-07 0.3148E-07 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 148 quartz -3.05 -3.05 0.00 0.000 0.00000E+00 197 argentite -29.40 -29.40 0.00 0.000 0.00000E+00 206 bornite -91.42 -91.42 0.00 0.000 0.23307E-10 226 topaz -15.12 -15.12 0.00 0.000 0.00000E+00 261 galena -12.36 -12.36 0.00 0.000 0.29133E-11 262 gold,native -19.46 -19.46 0.00 0.000 0.00000E+00 263 silver,native -7.05 -7.05 0.00 0.000 0.14567E-11 273 sphalerite -10.32 -10.32 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 1 H2O,gas 2.81 -0.01 -2.82 -2.819 0.46238E+04 -0.120 2 CO2,gas -5.59 -7.06 -1.46 -0.487 0.23967E+04 1.238 3 CH4,gas 5.21 -4.60 -9.82 -2.454 0.16100E+05 -7.118 4 H2,gas 9.20 0.61 -8.59 -4.909 0.14090E+05 -5.892 5 H2S,gas -5.33 -12.17 -6.83 -3.416 0.11206E+05 -4.134 6 S2,gas -5.97 -25.55 -19.59 -3.013 0.32122E+05 -16.887 7 CO,gas 4.60 -6.44 -11.04 -3.397 0.18104E+05 -8.340 8 SO3,gas 19.58 -14.63 -34.21 -8.553 0.56107E+05 -31.511 9 O2,gas 55.73 -1.23 -56.96 -37.975 0.93421E+05 -54.263 10 SO2,gas 2.56 -14.01 -16.57 -4.418 0.27169E+05 -13.867 11 HF,gas 1.89 -8.31 -10.20 -5.100 0.16730E+05 -7.502 12 HCl,gas 3.86 -5.32 -9.18 -4.592 0.15063E+05 -9.184 17 albite-high 1.65 -2.58 -4.23 -0.325 0.69343E+04 18 albite 0.49 -2.58 -3.07 -0.236 0.50314E+04 22 analcite 4.28 0.47 -3.81 -0.423 0.62435E+04 26 anhydrite -4.76 -8.96 -4.20 -2.100 0.68886E+04 27 ankerite -1.42 -5.90 -4.48 -0.747 0.73490E+04 34 aragonite 1.34 -1.39 -2.73 -0.909 0.44712E+04 36 calcite 1.20 -1.39 -2.59 -0.863 0.42461E+04 53 coesite -2.43 -3.05 -0.62 -0.207 0.10204E+04 60 cristobalite -2.56 -3.05 -0.49 -0.164 0.80839E+03 65 diaspore 3.65 2.26 -1.39 -0.232 0.22791E+04 66 diamond -3.36 -5.82 -2.46 -0.704 0.40399E+04 83 gibbsite 4.83 2.26 -2.57 -0.367 0.42113E+04 86 goethite 6.93 2.23 -4.69 -1.015 0.76991E+04 87 graphite -3.80 -5.82 -2.02 -0.578 0.33156E+04 90 halite 1.65 -1.00 -2.66 -1.328 0.43553E+04 96 jadeite 5.04 0.48 -4.56 -0.456 0.74790E+04 99 kaolinite -0.01 -1.59 -1.58 -0.144 0.25917E+04 107 magnesite 1.15 -2.48 -3.63 -1.211 0.59573E+04 117 microcline -1.77 -4.08 -2.31 -0.178 0.37888E+04 121 muscovite 4.83 0.45 -4.38 -0.258 0.71865E+04 122 paragonite 6.61 1.95 -4.66 -0.274 0.76352E+04 143 pyrite -21.55 -22.39 -0.84 -0.197 0.13705E+04 145 pyrrhotiteFe0.875 -5.86 -10.01 -4.15 -1.525 0.68026E+04 147 pyrophyllite -4.85 -7.69 -2.84 -0.177 0.46574E+04 153 rhodochrosite -0.67 -3.24 -2.57 -0.855 0.42072E+04 155 sanidine -0.51 -4.08 -3.57 -0.275 0.58543E+04 157 siderite -2.27 -4.51 -2.24 -0.747 0.36747E+04 171 sulfur -9.23 -12.78 -3.54 -1.091 0.58128E+04 172 sylvite 1.36 -2.50 -3.86 -1.931 0.63354E+04 180 topaz-H 6.14 1.47 -4.67 -0.424 0.76517E+04 181 tridymite -2.63 -3.05 -0.42 -0.140 0.69023E+03 198 arsenic -7.58 -12.03 -4.45 -1.147 0.72922E+04 205 beidellite-Na 0.39 -4.51 -4.90 -0.300 0.80343E+04 208 chalcedony -2.86 -3.05 -0.20 -0.065 0.32002E+03 209 chalcocite -28.91 -30.17 -1.25 -0.313 0.20537E+04 211 covellite -20.56 -21.47 -0.91 -0.347 0.14938E+04 212 dawsonite 2.39 -0.48 -2.86 -0.358 0.46942E+04 217 montmorillonite-Na -0.69 -5.50 -4.81 -0.295 0.78948E+04 230 gypsum -4.57 -8.97 -4.40 -1.101 0.72216E+04 246 acanthite -29.33 -29.40 -0.07 -0.018 0.11697E+03 252 barite -9.17 -11.67 -2.50 -1.249 0.40964E+04 253 boehmite 5.29 2.26 -3.03 -0.505 0.49680E+04 254 cerussite -2.71 -7.26 -4.55 -1.516 0.74597E+04 255 chalcopyrite -29.15 -31.09 -1.94 -0.360 0.31776E+04 260 fluorite -9.58 -10.94 -1.36 -0.453 0.22280E+04 270 silica-amorphous -2.06 -3.05 -1.00 -0.332 0.16333E+04 271 smithsonite -0.34 -5.22 -4.87 -1.624 0.79914E+04 274 wurtzite -8.41 -10.32 -1.91 -0.637 0.31341E+04 276 an20ab80 3.21 -1.24 -4.45 -0.342 0.72978E+04 277 an25ab75 3.91 -0.91 -4.82 -0.371 0.79098E+04 Calculations done for 85.2677 Deg. C; 500.0000 bar Mixer fraction: 2.0000000 Temperature Stoc.ionic strength Heat per mole Actual solution: 85.268 .58006E+00 1.706 Mixing solution: 25.000 .50000E-10 0.646 Fract. of mixing solution added: 0.100000 BITMOL = 0.5551E+01 OLDMOL = 0.1681E+03 New heat: 1.672 New temperature: 83.350 New mixer fraction: 2.1000000 Resulting temperature: 83.350Deg. C Solids and gases carried Charge balance check after fractionation or titration: TBAL = -.1296E-03 ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ Test file for CHIM-XPT. Mixing of cold water into metal bearing water starting at 199.97 C. Illustrates fluid-fluid mixing. CHIMRUN demo-3 ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ Number of loops used = 7 Loop limit = 70 Temperature = 83.35 C Pressure = 500.00 bar Mixer fraction = 2.1000000 Water: Moles liquid = 0.1722E+03 kg liquid = 0.3102E+01 Moles total = 0.1719E+03 kg total = 0.3097E+01 Activity = 0.9835 Stoichiometric ionic strength = .5613249E+00 Osmotic coef. = 0.9272 True ionic strength = .4845282E+00 Chg. balance for total moles = -.1296E-03 Max. difference allowed = 0.1545E-03 Log Log Log Species(n) Molality Molality Activity Activity Gamma Gamma 1 H+ 0.22187E-04 -4.6539 0.15036E-04 -4.8229 0.67770E+00 -0.1690 2 H2O 0.98349E+00 -0.0072 0.98349E+00 -0.0072 3 Cl- 0.47461E+00 -0.3237 0.31073E+00 -0.5076 0.65469E+00 -0.1840 4 SO4-- 0.58621E-04 -4.2319 0.10423E-04 -4.9820 0.17781E+00 -0.7500 5 HCO3- 0.86018E-02 -2.0654 0.56405E-02 -2.2487 0.65574E+00 -0.1833 6 HS- 0.65514E-07 -7.1837 0.42891E-07 -7.3676 0.65469E+00 -0.1840 7 H4SiO4 0.82039E-03 -3.0860 0.82039E-03 -3.0860 0.10000E+01 0.0000 8 Al+++ 0.37727E-10 -10.4234 0.75391E-12 -12.1227 0.19983E-01 -1.6993 9 Ca++ 0.60717E-03 -3.2167 0.10381E-03 -3.9838 0.17097E+00 -0.7671 10 Mg++ 0.49683E-04 -4.3038 0.84039E-05 -5.0755 0.16915E+00 -0.7717 11 Fe++ 0.46325E-06 -6.3342 0.78515E-07 -7.1050 0.16949E+00 -0.7709 12 K+ 0.14620E-01 -1.8351 0.95557E-02 -2.0197 0.65363E+00 -0.1847 13 Na+ 0.46773E+00 -0.3300 0.30446E+00 -0.5165 0.65094E+00 -0.1865 14 Mn++ 0.87627E-05 -5.0574 0.14878E-05 -5.8275 0.16979E+00 -0.7701 15 Zn++ 0.94267E-07 -7.0256 0.15977E-07 -7.7965 0.16949E+00 -0.7709 16 Cu+ 0.19664E-13 -13.7063 0.12800E-13 -13.8928 0.65090E+00 -0.1865 17 Pb++ 0.77810E-09 -9.1090 0.13432E-09 -9.8719 0.17262E+00 -0.7629 18 Ag+ 0.46909E-13 -13.3287 0.30627E-13 -13.5139 0.65292E+00 -0.1851 19 Au+ 0.76550E-25 -25.1161 0.50068E-25 -25.3004 0.65406E+00 -0.1844 20 Ba++ 0.11587E-05 -5.9360 0.20148E-06 -6.6958 0.17388E+00 -0.7597 21 F- 0.48969E-03 -3.3101 0.32352E-03 -3.4901 0.66065E+00 -0.1800 22 H2AsO3- 0.94714E-08 -8.0236 0.66266E-08 -8.1787 0.69965E+00 -0.1551 24 HSiO3- 0.93989E-07 -7.0269 0.61534E-07 -7.2109 0.65469E+00 -0.1840 25 Ca(HSiO3)+ 0.15606E-09 -9.8067 0.10207E-09 -9.9911 0.65406E+00 -0.1844 26 Mg(HSiO3)+ 0.16858E-10 -10.7732 0.11026E-10 -10.9576 0.65406E+00 -0.1844 27 NaHSiO3,aq 0.32759E-06 -6.4847 0.32759E-06 -6.4847 0.10000E+01 0.0000 32 AgCl2- 0.15558E-09 -9.8081 0.10186E-09 -9.9920 0.65469E+00 -0.1840 33 AgCl3-2 0.33889E-10 -10.4699 0.59849E-11 -11.2229 0.17660E+00 -0.7530 38 Ag(HS),aq 0.14722E-08 -8.8320 0.14722E-08 -8.8320 0.10000E+01 0.0000 40 AlO+ 0.10056E-09 -9.9976 0.65771E-10 -10.1820 0.65406E+00 -0.1844 41 AlOH+2 0.57892E-10 -10.2374 0.98524E-11 -11.0065 0.17019E+00 -0.7691 42 HAlO2,aq 0.50446E-09 -9.2972 0.50446E-09 -9.2972 0.10000E+01 0.0000 43 AlO2- 0.75665E-10 -10.1211 0.49850E-10 -10.3023 0.65882E+00 -0.1812 44 AsO2- 0.79684E-08 -8.0986 0.52168E-08 -8.2826 0.65469E+00 -0.1840 45 HAsO2,aq 0.18219E-04 -4.7395 0.18219E-04 -4.7395 0.10000E+01 0.0000 46 H3AsO3,aq 0.23551E-04 -4.6280 0.23551E-04 -4.6280 0.10000E+01 0.0000 62 BaCO3,aq 0.18116E-10 -10.7419 0.18116E-10 -10.7419 0.10000E+01 0.0000 63 Ba(HCO3)+ 0.60141E-07 -7.2208 0.39476E-07 -7.4037 0.65639E+00 -0.1828 64 BaCl+ 0.91047E-07 -7.0407 0.59550E-07 -7.2251 0.65406E+00 -0.1844 65 BaF+ 0.14943E-09 -9.8256 0.97734E-10 -10.0100 0.65406E+00 -0.1844 66 CH4,aq 0.26662E-10 -10.5741 0.24640E-10 -10.6084 0.92415E+00 -0.0343 72 CO2,aq 0.10417E+00 -0.9822 0.96272E-01 -1.0165 0.92415E+00 -0.0343 73 CO3-2 0.30610E-06 -6.5141 0.54058E-07 -7.2671 0.17660E+00 -0.7530 74 CaCO3,aq 0.39541E-07 -7.4030 0.39541E-07 -7.4030 0.10000E+01 0.0000 75 Ca(HCO3)+ 0.15891E-04 -4.7988 0.10394E-04 -4.9832 0.65406E+00 -0.1844 76 CaCl+ 0.52495E-04 -4.2799 0.34335E-04 -4.4643 0.65406E+00 -0.1844 77 CaCl2,aq 0.22489E-05 -5.6480 0.22489E-05 -5.6480 0.10000E+01 0.0000 78 CaF+ 0.49227E-06 -6.3078 0.32197E-06 -6.4922 0.65406E+00 -0.1844 79 CaOH+ 0.21849E-09 -9.6606 0.14291E-09 -9.8449 0.65406E+00 -0.1844 80 CaSO4,aq 0.23593E-06 -6.6272 0.23593E-06 -6.6272 0.10000E+01 0.0000 81 HCl,aq 0.10089E-05 -5.9961 0.10089E-05 -5.9961 0.10000E+01 0.0000 90 CuCl,aq 0.24982E-10 -10.6024 0.24982E-10 -10.6024 0.10000E+01 0.0000 91 CuCl2- 0.19492E-09 -9.7101 0.12761E-09 -9.8941 0.65469E+00 -0.1840 92 CuCl3-2 0.15824E-10 -10.8007 0.27945E-11 -11.5537 0.17660E+00 -0.7530 98 HF,aq 0.17969E-04 -4.7455 0.17969E-04 -4.7455 0.10000E+01 0.0000 99 HF2- 0.24772E-08 -8.6060 0.16218E-08 -8.7900 0.65469E+00 -0.1840 101 FeCl+ 0.41044E-07 -7.3867 0.26846E-07 -7.5711 0.65406E+00 -0.1844 104 FeF+ 0.14351E-08 -8.8431 0.93862E-09 -9.0275 0.65406E+00 -0.1844 107 FeOH+ 0.14056E-09 -9.8521 0.91936E-10 -10.0365 0.65406E+00 -0.1844 113 H2,aq 0.58429E-09 -9.2334 0.53998E-09 -9.2676 0.92415E+00 -0.0343 114 KCl,aq 0.30512E-04 -4.5155 0.30512E-04 -4.5155 0.10000E+01 0.0000 116 KOH,aq 0.14364E-09 -9.8427 0.14364E-09 -9.8427 0.10000E+01 0.0000 117 KSO4- 0.18454E-05 -5.7339 0.12082E-05 -5.9179 0.65469E+00 -0.1840 118 MgCO3,aq 0.87187E-09 -9.0595 0.87187E-09 -9.0595 0.10000E+01 0.0000 119 Mg(HCO3)+ 0.13040E-05 -5.8847 0.85290E-06 -6.0691 0.65406E+00 -0.1844 120 MgCl+ 0.42266E-05 -5.3740 0.27644E-05 -5.5584 0.65406E+00 -0.1844 121 MgF+ 0.15322E-06 -6.8147 0.10021E-06 -6.9991 0.65406E+00 -0.1844 122 MgOH+ 0.11270E-09 -9.9481 0.73715E-10 -10.1324 0.65406E+00 -0.1844 124 MnF+ 0.85732E-08 -8.0669 0.56074E-08 -8.2512 0.65406E+00 -0.1844 126 MnOH+ 0.22465E-09 -9.6485 0.14693E-09 -9.8329 0.65406E+00 -0.1844 131 MnCl+ 0.23386E-05 -5.6310 0.15296E-05 -5.8154 0.65406E+00 -0.1844 132 MnSO4,aq 0.29588E-08 -8.5289 0.29588E-08 -8.5289 0.10000E+01 0.0000 133 NaCl,aq 0.23423E-01 -1.6304 0.23423E-01 -1.6304 0.10000E+01 0.0000 134 NaF,aq 0.16429E-04 -4.7844 0.16429E-04 -4.7844 0.10000E+01 0.0000 135 NaOH,aq 0.51740E-08 -8.2862 0.51740E-08 -8.2862 0.10000E+01 0.0000 137 OH- 0.41522E-07 -7.3817 0.27356E-07 -7.5630 0.65882E+00 -0.1812 140 PbCl+ 0.28241E-08 -8.5491 0.18471E-08 -8.7335 0.65406E+00 -0.1844 141 PbCl2,aq 0.26801E-08 -8.5718 0.26801E-08 -8.5718 0.10000E+01 0.0000 142 PbCl3- 0.55019E-09 -9.2595 0.36021E-09 -9.4434 0.65469E+00 -0.1840 143 PbCl4-2 0.18137E-09 -9.7414 0.32030E-10 -10.4944 0.17660E+00 -0.7530 150 H2S,aq 0.18424E-05 -5.7346 0.17026E-05 -5.7689 0.92415E+00 -0.0343 159 HSO4- 0.97599E-07 -7.0106 0.64243E-07 -7.1922 0.65823E+00 -0.1816 173 ZnCl+ 0.27016E-06 -6.5684 0.17670E-06 -6.7528 0.65406E+00 -0.1844 174 ZnCl2,aq 0.31722E-07 -7.4986 0.31722E-07 -7.4986 0.10000E+01 0.0000 175 ZnCl3- 0.26334E-08 -8.5795 0.17241E-08 -8.7634 0.65469E+00 -0.1840 176 ZnF+ 0.17515E-09 -9.7566 0.11456E-09 -9.9410 0.65406E+00 -0.1844 178 ZnOH+ 0.31510E-08 -8.5015 0.20610E-08 -8.6859 0.65406E+00 -0.1844 Charge balance for all species = -.4178E-04 Component Molality Aq.molality ppm log[A(N)/A(H+)**Z] (total) 1 H+ 0.2218688E-04 0.1042573E+00 0.1015548E+03 0.0000 2 H2O 0.1000000E+01 0.5540406E+02 0.9645893E+06 0.0000 3 Cl- 0.4746113E+00 0.4981300E+00 0.1706692E+05 4.3152 4 SO4-- 0.5862113E-04 0.6080288E-04 0.5644602E+01 4.6637 5 HCO3- 0.8601760E-02 0.1127926E+00 0.6651079E+04 2.5742 6 HS- 0.6551379E-07 0.1909526E-05 0.6103028E-01 -2.5448 7 H4SiO4 0.8203854E-03 0.8208071E-03 0.7624185E+02 -3.0860 8 Al+++ 0.3772659E-10 0.7763017E-09 0.2024212E-04 2.3459 9 Ca++ 0.6071748E-03 0.6785784E-03 0.2628242E+02 5.6620 10 Mg++ 0.4968274E-04 0.5536754E-04 0.1300874E+01 4.5702 11 Fe++ 0.4632524E-06 0.5058724E-06 0.2730236E-01 2.5407 12 K+ 0.1461955E-01 0.1465191E-01 0.5536719E+03 2.8031 13 Na+ 0.4677273E+00 0.4911671E+00 0.1091249E+05 4.3064 14 Mn++ 0.8762709E-05 0.1111304E-04 0.5900177E+00 3.8183 15 Zn++ 0.9426703E-07 0.4021051E-06 0.2540256E-01 1.8492 16 Cu+ 0.1966440E-13 0.2357453E-09 0.1447603E-04 -9.0699 17 Pb++ 0.7781019E-09 0.7024133E-08 0.1406439E-02 -0.2261 18 Ag+ 0.4690863E-13 0.1669880E-08 0.1740786E-03 -8.6910 19 Au+ 0.7654992E-25 0.3413446E-12 0.6497493E-07 -20.4776 20 Ba++ 0.1158726E-05 0.1310081E-05 0.1738820E+00 2.9500 21 F- 0.4896939E-03 0.5247530E-03 0.9634344E+01 1.3328 22 H2AsO3- 0.9471367E-08 0.4178697E-04 0.5045297E+01 -3.3558 Component Tot moles Aq. moles Solid moles Gas moles 1 H+ 0.3234352E+00 0.3234480E+00 -.1288205E-04 0.0000000E+00 2 H2O 0.1718852E+03 0.1718857E+03 -.5281452E-03 0.0000000E+00 3 Cl- 0.1545400E+01 0.1545400E+01 0.0000000E+00 0.0000000E+00 4 SO4-- 0.1886393E-03 0.1886350E-03 0.4235208E-08 0.0000000E+00 5 HCO3- 0.3499280E+00 0.3499280E+00 0.0000000E+00 0.0000000E+00 6 HS- 0.1403031E-04 0.5924119E-05 0.8106192E-05 0.0000000E+00 7 H4SiO4 0.2811741E-02 0.2546474E-02 0.2652666E-03 0.0000000E+00 8 Al+++ 0.2407279E-05 0.2408401E-08 0.2404871E-05 0.0000000E+00 9 Ca++ 0.2105223E-02 0.2105223E-02 0.0000000E+00 0.0000000E+00 10 Mg++ 0.1717724E-03 0.1717724E-03 0.0000000E+00 0.0000000E+00 11 Fe++ 0.1603305E-05 0.1569420E-05 0.3388515E-07 0.0000000E+00 12 K+ 0.4545612E-01 0.4545612E-01 0.0000000E+00 0.0000000E+00 13 Na+ 0.1523798E+01 0.1523798E+01 0.0000000E+00 0.0000000E+00 14 Mn++ 0.3447712E-04 0.3447712E-04 0.0000000E+00 0.0000000E+00 15 Zn++ 0.7468176E-05 0.1247492E-05 0.6220684E-05 0.0000000E+00 16 Cu+ 0.1701571E-06 0.7313769E-09 0.1694257E-06 0.0000000E+00 17 Pb++ 0.1565021E-05 0.2179169E-07 0.1543229E-05 0.0000000E+00 18 Ag+ 0.4271281E-06 0.5180641E-08 0.4219475E-06 0.0000000E+00 19 Au+ 0.3110961E-11 0.1058988E-11 0.2051972E-11 0.0000000E+00 20 Ba++ 0.4064400E-05 0.4064400E-05 0.0000000E+00 0.0000000E+00 21 F- 0.1630400E-02 0.1627995E-02 0.2404871E-05 0.0000000E+00 22 H2AsO3- 0.1296400E-03 0.1296400E-03 0.0000000E+00 0.0000000E+00 Chg. balance for solid moles: 0.2541E-20 Mass of aqueous solution: 0.321025E+04 g Temperature = 83.35 C Pressure = 500.00 bar Mixer frac. = 2.1000000 Log Log Vol Gas or mineral Moles Moles Grams Grams Wt.% (cm3) quartz 0.2641E-03 -3.578 0.1586E-01 -1.800 92.61 0.5991E-02 argentite 0.2110E-06 -6.676 0.5228E-04 -4.282 0.3052 0.7342E-05 bornite 0.3389E-07 -7.470 0.1700E-04 -4.769 0.9926E-01 0.3345E-05 topaz 0.1202E-05 -5.920 0.2213E-03 -3.655 1.292 0.6195E-04 galena 0.1543E-05 -5.812 0.3692E-03 -3.433 2.155 0.4859E-04 gold,native 0.2052E-11 -11.688 0.4042E-09 -9.393 0.2359E-05 0.2096E-10 silver,native 0.1433E-11 -11.844 0.1545E-09 -9.811 0.9021E-06 0.1472E-10 sphalerite 0.6221E-05 -5.206 0.6061E-03 -3.217 3.538 0.1482E-03 Partial press. Fugacity coef Log fugacity Gas or Mineral Mole fraction or activity Activity coef Log activity quartz 0.1000E+01 0.1000E+01 1.0000 0.000 argentite 0.1000E+01 0.1000E+01 1.0000 0.000 bornite 0.1000E+01 0.1000E+01 1.0000 0.000 topaz 0.1000E+01 0.1000E+01 1.0000 0.000 galena 0.1000E+01 0.1000E+01 1.0000 0.000 gold,native 0.5889E+00 0.2605E+00 0.4424 -0.584 silver,native 0.4111E+00 0.5215E-01 0.1269 -1.283 sphalerite 0.1000E+01 0.1000E+01 1.0000 0.000 Total fraction of mixing solution added: 2.1000000 Solid products produced: Mass = 0.017131 g Volume = 0.006261 cm3 WARNING: mineral volume may be in error because some mineral densities were not supplied in SOLTHERM. See mineral list in file Skip_Species.txt. Gas composition at saturation ( 3 iterations) ------------------------------------------------- Temperature: 83.3495 deg.C Sat. pressure: 18.2378 bar Gas Mole fraction phi Fugacity Partial P(bar) H2O,gas 0.4296E-01 0.8990 0.7044E+00 0.7836E+00 CO2,gas 0.9570E+00 0.9405 0.1642E+02 0.1745E+02 CH4,gas 0.3805E-08 1.0138 0.7036E-07 0.6940E-07 H2,gas 0.6172E-07 1.0102 0.1137E-05 0.1126E-05 H2S,gas 0.4115E-05 0.9241 0.6935E-04 0.7505E-04 S2,gas 0.5912E-18 1.0000 0.1078E-16 0.1078E-16 CO,gas 0.2112E-09 1.0000 0.3851E-08 0.3851E-08 SO3,gas 0.1092E-32 1.0000 0.1991E-31 0.1991E-31 O2,gas 0.1365E-55 1.0000 0.2490E-54 0.2490E-54 SO2,gas 0.5961E-15 1.0000 0.1087E-13 0.1087E-13 HF,gas 0.1500E-08 1.0000 0.2736E-07 0.2736E-07 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 148 quartz -3.07 -3.07 0.00 0.000 0.00000E+00 197 argentite -29.57 -29.57 0.00 0.000 0.00000E+00 206 bornite -91.87 -91.87 0.00 0.000 0.23182E-10 226 topaz -15.02 -15.02 0.00 0.000 0.00000E+00 261 galena -12.42 -12.42 0.00 0.000 0.57955E-11 262 gold,native -19.59 -19.59 0.00 0.000 0.00000E+00 263 silver,native -7.11 -7.11 0.00 0.000 0.14489E-11 273 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 1 H2O,gas 2.84 -0.01 -2.85 -2.851 0.46510E+04 -0.152 2 CO2,gas -5.58 -7.06 -1.48 -0.495 0.24204E+04 1.215 3 CH4,gas 5.21 -4.64 -9.85 -2.463 0.16071E+05 -7.153 4 H2,gas 9.25 0.60 -8.64 -4.939 0.14099E+05 -5.944 5 H2S,gas -5.33 -12.19 -6.86 -3.429 0.11187E+05 -4.159 6 S2,gas -5.92 -25.59 -19.67 -3.026 0.32081E+05 -16.967 7 CO,gas 4.66 -6.46 -11.11 -3.419 0.18129E+05 -8.414 8 SO3,gas 19.78 -14.62 -34.40 -8.600 0.56116E+05 -31.701 9 O2,gas 56.08 -1.22 -57.30 -38.202 0.93477E+05 -54.604 10 SO2,gas 2.65 -14.01 -16.66 -4.443 0.27182E+05 -13.964 11 HF,gas 1.95 -8.31 -10.26 -5.131 0.16740E+05 -7.563 12 HCl,gas 3.92 -5.33 -9.26 -4.628 0.15098E+05 -9.255 17 albite-high 1.72 -2.58 -4.30 -0.331 0.70122E+04 18 albite 0.55 -2.58 -3.13 -0.241 0.51014E+04 22 analcite 4.36 0.49 -3.87 -0.430 0.63092E+04 26 anhydrite -4.73 -8.97 -4.24 -2.119 0.69129E+04 27 ankerite -1.37 -5.94 -4.57 -0.761 0.74516E+04 34 aragonite 1.36 -1.41 -2.77 -0.924 0.45228E+04 36 calcite 1.23 -1.41 -2.64 -0.878 0.42990E+04 53 coesite -2.45 -3.07 -0.63 -0.208 0.10197E+04 60 cristobalite -2.57 -3.07 -0.50 -0.166 0.81177E+03 65 diaspore 3.74 2.33 -1.40 -0.234 0.22912E+04 66 diamond -3.39 -5.85 -2.46 -0.702 0.40060E+04 83 gibbsite 4.91 2.32 -2.58 -0.369 0.42125E+04 86 goethite 6.98 2.23 -4.76 -1.029 0.77618E+04 87 graphite -3.83 -5.85 -2.01 -0.575 0.32834E+04 90 halite 1.66 -1.02 -2.68 -1.341 0.43738E+04 96 jadeite 5.11 0.49 -4.62 -0.462 0.75344E+04 99 kaolinite 0.11 -1.49 -1.60 -0.145 0.26036E+04 107 magnesite 1.19 -2.50 -3.69 -1.231 0.60236E+04 117 microcline -1.73 -4.08 -2.35 -0.181 0.38333E+04 121 muscovite 5.03 0.58 -4.45 -0.262 0.72602E+04 122 paragonite 6.83 2.09 -4.74 -0.279 0.77306E+04 143 pyrite -21.62 -22.44 -0.82 -0.193 0.13356E+04 145 pyrrhotiteFe0.875 -5.86 -10.04 -4.18 -1.538 0.68239E+04 147 pyrophyllite -4.75 -7.62 -2.87 -0.179 0.46845E+04 153 rhodochrosite -0.65 -3.25 -2.60 -0.867 0.42429E+04 155 sanidine -0.46 -4.08 -3.62 -0.278 0.58990E+04 157 siderite -2.25 -4.53 -2.28 -0.761 0.37231E+04 171 sulfur -9.26 -12.79 -3.53 -1.088 0.57664E+04 172 sylvite 1.35 -2.53 -3.88 -1.940 0.63301E+04 180 topaz-H 6.29 1.59 -4.70 -0.428 0.76721E+04 181 tridymite -2.65 -3.07 -0.42 -0.141 0.69198E+03 198 arsenic -7.63 -12.08 -4.45 -1.149 0.72606E+04 205 beidellite-Na 0.54 -4.42 -4.96 -0.303 0.80835E+04 208 chalcedony -2.88 -3.07 -0.20 -0.065 0.32008E+03 209 chalcocite -29.08 -30.33 -1.25 -0.313 0.20454E+04 211 covellite -20.66 -21.56 -0.90 -0.342 0.14629E+04 212 dawsonite 2.45 -0.43 -2.88 -0.360 0.46970E+04 217 montmorillonite-Na -0.59 -5.47 -4.88 -0.299 0.79599E+04 230 gypsum -4.56 -8.98 -4.42 -1.106 0.72166E+04 246 acanthite -29.50 -29.57 -0.07 -0.017 0.11259E+03 252 barite -9.18 -11.68 -2.50 -1.250 0.40789E+04 253 boehmite 5.39 2.33 -3.06 -0.510 0.49873E+04 254 cerussite -2.71 -7.30 -4.59 -1.529 0.74815E+04 255 chalcopyrite -29.26 -31.21 -1.95 -0.363 0.31785E+04 260 fluorite -9.58 -10.96 -1.39 -0.462 0.22632E+04 270 silica-amorphous -2.07 -3.07 -1.00 -0.335 0.16381E+04 271 smithsonite -0.31 -5.22 -4.91 -1.636 0.80055E+04 274 wurtzite -8.42 -10.34 -1.92 -0.640 0.31343E+04 276 an20ab80 3.30 -1.23 -4.53 -0.348 0.73846E+04 277 an25ab75 4.02 -0.89 -4.90 -0.377 0.80005E+04 Calculations done for 83.3495 Deg. C; 500.0000 bar Mixer fraction: 2.1000000 Temperature Stoc.ionic strength Heat per mole Actual solution: 83.350 .56132E+00 1.672 Mixing solution: 25.000 .50000E-10 0.646 Fract. of mixing solution added: 0.100000 BITMOL = 0.5551E+01 OLDMOL = 0.1736E+03 New heat: 1.640 New temperature: 81.550 New mixer fraction: 2.2000000 Resulting temperature: 81.550Deg. C Solids and gases carried Charge balance check after fractionation or titration: TBAL = -.1296E-03 ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ Test file for CHIM-XPT. Mixing of cold water into metal bearing water starting at 199.97 C. Illustrates fluid-fluid mixing. CHIMRUN demo-3 ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ Number of loops used = 7 Loop limit = 70 Temperature = 81.55 C Pressure = 500.00 bar Mixer fraction = 2.2000000 Water: Moles liquid = 0.1778E+03 kg liquid = 0.3202E+01 Moles total = 0.1774E+03 kg total = 0.3197E+01 Activity = 0.9840 Stoichiometric ionic strength = .5437646E+00 Osmotic coef. = 0.9270 True ionic strength = .4702667E+00 Chg. balance for total moles = -.1296E-03 Max. difference allowed = 0.1545E-03 Log Log Log Species(n) Molality Molality Activity Activity Gamma Gamma 1 H+ 0.22288E-04 -4.6519 0.15170E-04 -4.8190 0.68064E+00 -0.1671 2 H2O 0.98401E+00 -0.0070 0.98401E+00 -0.0070 3 Cl- 0.46065E+00 -0.3366 0.30267E+00 -0.5190 0.65703E+00 -0.1824 4 SO4-- 0.56849E-04 -4.2453 0.10325E-04 -4.9861 0.18162E+00 -0.7408 5 HCO3- 0.83341E-02 -2.0791 0.54835E-02 -2.2609 0.65796E+00 -0.1818 6 HS- 0.61370E-07 -7.2120 0.40321E-07 -7.3945 0.65702E+00 -0.1824 7 H4SiO4 0.79177E-03 -3.1014 0.79177E-03 -3.1014 0.10000E+01 0.0000 8 Al+++ 0.42654E-10 -10.3700 0.89582E-12 -12.0478 0.21002E-01 -1.6777 9 Ca++ 0.59056E-03 -3.2287 0.10323E-03 -3.9862 0.17480E+00 -0.7575 10 Mg++ 0.48278E-04 -4.3162 0.83537E-05 -5.0781 0.17303E+00 -0.7619 11 Fe++ 0.44995E-06 -6.3468 0.78000E-07 -7.1079 0.17335E+00 -0.7611 12 K+ 0.14165E-01 -1.8488 0.92898E-02 -2.0320 0.65583E+00 -0.1832 13 Na+ 0.45398E+00 -0.3430 0.29659E+00 -0.5279 0.65330E+00 -0.1849 14 Mn++ 0.85934E-05 -5.0658 0.14922E-05 -5.8262 0.17364E+00 -0.7603 15 Zn++ 0.94480E-07 -7.0247 0.16378E-07 -7.7857 0.17335E+00 -0.7611 16 Cu+ 0.16954E-13 -13.7707 0.11076E-13 -13.9556 0.65327E+00 -0.1849 17 Pb++ 0.72120E-09 -9.1419 0.12724E-09 -9.8954 0.17643E+00 -0.7534 18 Ag+ 0.40140E-13 -13.3964 0.26298E-13 -13.5801 0.65515E+00 -0.1837 19 Au+ 0.58377E-25 -25.2338 0.38310E-25 -25.4167 0.65625E+00 -0.1829 20 Ba++ 0.11295E-05 -5.9471 0.20068E-06 -6.6975 0.17767E+00 -0.7504 21 F- 0.47547E-03 -3.3229 0.31532E-03 -3.5012 0.66318E+00 -0.1784 22 H2AsO3- 0.85780E-08 -8.0666 0.60126E-08 -8.2209 0.70093E+00 -0.1543 24 HSiO3- 0.86872E-07 -7.0611 0.57078E-07 -7.2435 0.65703E+00 -0.1824 25 Ca(HSiO3)+ 0.14002E-09 -9.8538 0.91889E-10 -10.0367 0.65625E+00 -0.1829 26 Mg(HSiO3)+ 0.15245E-10 -10.8169 0.10005E-10 -10.9998 0.65625E+00 -0.1829 27 NaHSiO3,aq 0.30391E-06 -6.5173 0.30391E-06 -6.5173 0.10000E+01 0.0000 32 AgCl2- 0.12969E-09 -9.8871 0.85208E-10 -10.0695 0.65703E+00 -0.1824 33 AgCl3-2 0.27603E-10 -10.5590 0.49802E-11 -11.3028 0.18043E+00 -0.7437 38 Ag(HS),aq 0.14008E-08 -8.8536 0.14008E-08 -8.8536 0.10000E+01 0.0000 40 AlO+ 0.98835E-10 -10.0051 0.64861E-10 -10.1880 0.65625E+00 -0.1829 41 AlOH+2 0.60712E-10 -10.2167 0.10566E-10 -10.9761 0.17403E+00 -0.7594 42 HAlO2,aq 0.46004E-09 -9.3372 0.46004E-09 -9.3372 0.10000E+01 0.0000 43 AlO2- 0.64762E-10 -10.1887 0.42829E-10 -10.3683 0.66133E+00 -0.1796 44 AsO2- 0.74109E-08 -8.1301 0.48692E-08 -8.3125 0.65703E+00 -0.1824 45 HAsO2,aq 0.17774E-04 -4.7502 0.17774E-04 -4.7502 0.10000E+01 0.0000 46 H3AsO3,aq 0.22692E-04 -4.6441 0.22692E-04 -4.6441 0.10000E+01 0.0000 62 BaCO3,aq 0.16577E-10 -10.7805 0.16577E-10 -10.7805 0.10000E+01 0.0000 63 Ba(HCO3)+ 0.54889E-07 -7.2605 0.36145E-07 -7.4420 0.65850E+00 -0.1814 64 BaCl+ 0.84620E-07 -7.0725 0.55532E-07 -7.2555 0.65625E+00 -0.1829 65 BaF+ 0.13995E-09 -9.8540 0.91843E-10 -10.0370 0.65625E+00 -0.1829 66 CH4,aq 0.24744E-10 -10.6065 0.22900E-10 -10.6402 0.92549E+00 -0.0336 72 CO2,aq 0.10092E+00 -0.9960 0.93400E-01 -1.0297 0.92549E+00 -0.0336 73 CO3-2 0.28770E-06 -6.5411 0.51908E-07 -7.2848 0.18043E+00 -0.7437 74 CaCO3,aq 0.36193E-07 -7.4414 0.36193E-07 -7.4414 0.10000E+01 0.0000 75 Ca(HCO3)+ 0.14914E-04 -4.8264 0.97876E-05 -5.0093 0.65625E+00 -0.1829 76 CaCl+ 0.49114E-04 -4.3088 0.32231E-04 -4.4917 0.65625E+00 -0.1829 77 CaCl2,aq 0.20729E-05 -5.6834 0.20729E-05 -5.6834 0.10000E+01 0.0000 78 CaF+ 0.46090E-06 -6.3364 0.30247E-06 -6.5193 0.65625E+00 -0.1829 79 CaOH+ 0.18850E-09 -9.7247 0.12370E-09 -9.9076 0.65625E+00 -0.1829 80 CaSO4,aq 0.22690E-06 -6.6442 0.22690E-06 -6.6442 0.10000E+01 0.0000 81 HCl,aq 0.98820E-06 -6.0052 0.98820E-06 -6.0052 0.10000E+01 0.0000 90 CuCl,aq 0.21348E-10 -10.6706 0.21348E-10 -10.6706 0.10000E+01 0.0000 91 CuCl2- 0.16182E-09 -9.7910 0.10632E-09 -9.9734 0.65703E+00 -0.1824 92 CuCl3-2 0.12814E-10 -10.8923 0.23120E-11 -11.6360 0.18043E+00 -0.7437 98 HF,aq 0.17001E-04 -4.7695 0.17001E-04 -4.7695 0.10000E+01 0.0000 99 HF2- 0.22644E-08 -8.6450 0.14878E-08 -8.8275 0.65703E+00 -0.1824 101 FeCl+ 0.38635E-07 -7.4130 0.25354E-07 -7.5960 0.65625E+00 -0.1829 104 FeF+ 0.13577E-08 -8.8672 0.89098E-09 -9.0501 0.65625E+00 -0.1829 107 FeOH+ 0.12645E-09 -9.8981 0.82982E-10 -10.0810 0.65625E+00 -0.1829 113 H2,aq 0.51753E-09 -9.2861 0.47897E-09 -9.3197 0.92549E+00 -0.0336 114 KCl,aq 0.27713E-04 -4.5573 0.27713E-04 -4.5573 0.10000E+01 0.0000 116 KOH,aq 0.12602E-09 -9.8996 0.12602E-09 -9.8996 0.10000E+01 0.0000 117 KSO4- 0.17345E-05 -5.7608 0.11396E-05 -5.9433 0.65703E+00 -0.1824 118 MgCO3,aq 0.80832E-09 -9.0924 0.80832E-09 -9.0924 0.10000E+01 0.0000 119 Mg(HCO3)+ 0.12230E-05 -5.9126 0.80259E-06 -6.0955 0.65625E+00 -0.1829 120 MgCl+ 0.39922E-05 -5.3988 0.26199E-05 -5.5817 0.65625E+00 -0.1829 121 MgF+ 0.14410E-06 -6.8413 0.94567E-07 -7.0243 0.65625E+00 -0.1829 122 MgOH+ 0.98912E-10 -10.0048 0.64911E-10 -10.1877 0.65625E+00 -0.1829 124 MnF+ 0.81573E-08 -8.0885 0.53533E-08 -8.2714 0.65625E+00 -0.1829 126 MnOH+ 0.20158E-09 -9.6955 0.13229E-09 -9.8785 0.65625E+00 -0.1829 131 MnCl+ 0.21614E-05 -5.6653 0.14184E-05 -5.8482 0.65625E+00 -0.1829 132 MnSO4,aq 0.28505E-08 -8.5451 0.28505E-08 -8.5451 0.10000E+01 0.0000 133 NaCl,aq 0.21832E-01 -1.6609 0.21832E-01 -1.6609 0.10000E+01 0.0000 134 NaF,aq 0.15275E-04 -4.8160 0.15275E-04 -4.8160 0.10000E+01 0.0000 135 NaOH,aq 0.45966E-08 -8.3376 0.45966E-08 -8.3376 0.10000E+01 0.0000 137 OH- 0.37958E-07 -7.4207 0.25103E-07 -7.6003 0.66133E+00 -0.1796 140 PbCl+ 0.25373E-08 -8.5956 0.16651E-08 -8.7786 0.65625E+00 -0.1829 141 PbCl2,aq 0.23176E-08 -8.6350 0.23176E-08 -8.6350 0.10000E+01 0.0000 142 PbCl3- 0.45917E-09 -9.3380 0.30169E-09 -9.5204 0.65703E+00 -0.1824 143 PbCl4-2 0.14604E-09 -9.8355 0.26348E-10 -10.5792 0.18043E+00 -0.7437 150 H2S,aq 0.17700E-05 -5.7520 0.16381E-05 -5.7857 0.92549E+00 -0.0336 159 HSO4- 0.91651E-07 -7.0379 0.60521E-07 -7.2181 0.66034E+00 -0.1802 173 ZnCl+ 0.24517E-06 -6.6105 0.16090E-06 -6.7935 0.65625E+00 -0.1829 174 ZnCl2,aq 0.28307E-07 -7.5481 0.28307E-07 -7.5481 0.10000E+01 0.0000 175 ZnCl3- 0.23219E-08 -8.6341 0.15256E-08 -8.8166 0.65703E+00 -0.1824 176 ZnF+ 0.17051E-09 -9.7683 0.11190E-09 -9.9512 0.65625E+00 -0.1829 178 ZnOH+ 0.28124E-08 -8.5509 0.18456E-08 -8.7339 0.65625E+00 -0.1829 Charge balance for all species = -.4047E-04 Component Molality Aq.molality ppm log[A(N)/A(H+)**Z] (total) 1 H+ 0.2228768E-04 0.1010017E+00 0.9848693E+02 0.0000 2 H2O 0.1000000E+01 0.5540731E+02 0.9656593E+06 0.0000 3 Cl- 0.4606548E+00 0.4825751E+00 0.1655134E+05 4.3000 4 SO4-- 0.5684850E-04 0.5890421E-04 0.5474084E+01 4.6519 5 HCO3- 0.8334086E-02 0.1092704E+00 0.6450157E+04 2.5581 6 HS- 0.6137003E-07 0.1832947E-05 0.5864429E-01 -2.5754 7 H4SiO4 0.7917712E-03 0.7921621E-03 0.7365842E+02 -3.1014 8 Al+++ 0.4265364E-10 0.7269984E-09 0.1897644E-04 2.4093 9 Ca++ 0.5905633E-03 0.6573886E-03 0.2548846E+02 5.6518 10 Mg++ 0.4827843E-04 0.5363860E-04 0.1261576E+01 4.5599 11 Fe++ 0.4499504E-06 0.4900692E-06 0.2647723E-01 2.5301 12 K+ 0.1416493E-01 0.1419438E-01 0.5369460E+03 2.7870 13 Na+ 0.4539823E+00 0.4758296E+00 0.1058283E+05 4.2912 14 Mn++ 0.8593436E-05 0.1076602E-04 0.5721938E+00 3.8119 15 Zn++ 0.9447971E-07 0.3732636E-06 0.2360529E-01 1.8523 16 Cu+ 0.1695434E-13 0.1960014E-09 0.1204819E-04 -9.1366 17 Pb++ 0.7211958E-09 0.6190569E-08 0.1240837E-02 -0.2573 18 Ag+ 0.4013995E-13 0.1565077E-08 0.1633247E-03 -8.7611 19 Au+ 0.5837748E-25 0.3089189E-12 0.5886448E-07 -20.5977 20 Ba++ 0.1129506E-05 0.1269172E-05 0.1686292E+00 2.9405 21 F- 0.4754716E-03 0.5083667E-03 0.9343300E+01 1.3178 22 H2AsO3- 0.8577977E-08 0.4048210E-04 0.4892884E+01 -3.4019 Component Tot moles Aq. moles Solid moles Gas moles 1 H+ 0.3234352E+00 0.3234481E+00 -.1293647E-04 0.0000000E+00 2 H2O 0.1774360E+03 0.1774366E+03 -.5474488E-03 0.0000000E+00 3 Cl- 0.1545400E+01 0.1545400E+01 0.0000000E+00 0.0000000E+00 4 SO4-- 0.1886393E-03 0.1886350E-03 0.4237788E-08 0.0000000E+00 5 HCO3- 0.3499280E+00 0.3499280E+00 0.0000000E+00 0.0000000E+00 6 HS- 0.1403031E-04 0.5869836E-05 0.8160475E-05 0.0000000E+00 7 H4SiO4 0.2811741E-02 0.2536823E-02 0.2749184E-03 0.0000000E+00 8 Al+++ 0.2407279E-05 0.2328142E-08 0.2404951E-05 0.0000000E+00 9 Ca++ 0.2105223E-02 0.2105223E-02 0.0000000E+00 0.0000000E+00 10 Mg++ 0.1717724E-03 0.1717724E-03 0.0000000E+00 0.0000000E+00 11 Fe++ 0.1603305E-05 0.1569399E-05 0.3390589E-07 0.0000000E+00 12 K+ 0.4545612E-01 0.4545612E-01 0.0000000E+00 0.0000000E+00 13 Na+ 0.1523798E+01 0.1523798E+01 0.0000000E+00 0.0000000E+00 14 Mn++ 0.3447712E-04 0.3447712E-04 0.0000000E+00 0.0000000E+00 15 Zn++ 0.7468176E-05 0.1195340E-05 0.6272836E-05 0.0000000E+00 16 Cu+ 0.1701571E-06 0.6276754E-09 0.1695295E-06 0.0000000E+00 17 Pb++ 0.1565021E-05 0.1982470E-07 0.1545196E-05 0.0000000E+00 18 Ag+ 0.4271281E-06 0.5012009E-08 0.4221161E-06 0.0000000E+00 19 Au+ 0.3110961E-11 0.9892829E-12 0.2121678E-11 0.0000000E+00 20 Ba++ 0.4064400E-05 0.4064400E-05 0.0000000E+00 0.0000000E+00 21 F- 0.1630400E-02 0.1627995E-02 0.2404951E-05 0.0000000E+00 22 H2AsO3- 0.1296400E-03 0.1296400E-03 0.0000000E+00 0.0000000E+00 Chg. balance for solid moles: 0.4235E-21 Mass of aqueous solution: 0.331025E+04 g Temperature = 81.55 C Pressure = 500.00 bar Mixer frac. = 2.2000000 Log Log Vol Gas or mineral Moles Moles Grams Grams Wt.% (cm3) quartz 0.2737E-03 -3.563 0.1644E-01 -1.784 92.82 0.6210E-02 argentite 0.2111E-06 -6.676 0.5230E-04 -4.281 0.2952 0.7344E-05 bornite 0.3391E-07 -7.470 0.1701E-04 -4.769 0.9604E-01 0.3347E-05 topaz 0.1202E-05 -5.920 0.2213E-03 -3.655 1.249 0.6196E-04 galena 0.1545E-05 -5.811 0.3697E-03 -3.432 2.087 0.4866E-04 gold,native 0.2122E-11 -11.673 0.4179E-09 -9.379 0.2359E-05 0.2167E-10 silver,native 0.1465E-11 -11.834 0.1581E-09 -9.801 0.8922E-06 0.1505E-10 sphalerite 0.6273E-05 -5.203 0.6112E-03 -3.214 3.450 0.1495E-03 Partial press. Fugacity coef Log fugacity Gas or Mineral Mole fraction or activity Activity coef Log activity quartz 0.1000E+01 0.1000E+01 1.0000 0.000 argentite 0.1000E+01 0.1000E+01 1.0000 0.000 bornite 0.1000E+01 0.1000E+01 1.0000 0.000 topaz 0.1000E+01 0.1000E+01 1.0000 0.000 galena 0.1000E+01 0.1000E+01 1.0000 0.000 gold,native 0.5915E+00 0.2635E+00 0.4454 -0.579 silver,native 0.4085E+00 0.5038E-01 0.1233 -1.298 sphalerite 0.1000E+01 0.1000E+01 1.0000 0.000 Total fraction of mixing solution added: 2.2000000 Solid products produced: Mass = 0.017716 g Volume = 0.006481 cm3 WARNING: mineral volume may be in error because some mineral densities were not supplied in SOLTHERM. See mineral list in file Skip_Species.txt. Gas composition at saturation ( 3 iterations) ------------------------------------------------- Temperature: 81.5497 deg.C Sat. pressure: 17.2949 bar Gas Mole fraction phi Fugacity Partial P(bar) H2O,gas 0.4203E-01 0.9036 0.6569E+00 0.7270E+00 CO2,gas 0.9580E+00 0.9424 0.1561E+02 0.1657E+02 CH4,gas 0.3721E-08 1.0130 0.6519E-07 0.6435E-07 H2,gas 0.5813E-07 1.0097 0.1015E-05 0.1005E-05 H2S,gas 0.4091E-05 0.9269 0.6559E-04 0.7076E-04 S2,gas 0.5221E-18 1.0000 0.9029E-17 0.9029E-17 CO,gas 0.1890E-09 1.0000 0.3269E-08 0.3269E-08 SO3,gas 0.7596E-33 1.0000 0.1314E-31 0.1314E-31 O2,gas 0.6830E-56 1.0000 0.1181E-54 0.1181E-54 SO2,gas 0.5078E-15 1.0000 0.8782E-14 0.8782E-14 HF,gas 0.1383E-08 1.0000 0.2392E-07 0.2392E-07 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 148 quartz -3.09 -3.09 0.00 0.000 0.00000E+00 197 argentite -29.74 -29.74 0.00 0.000 0.00000E+00 206 bornite -92.30 -92.30 0.00 0.000 -0.23065E-10 226 topaz -14.92 -14.92 0.00 0.000 0.00000E+00 261 galena -12.47 -12.47 0.00 0.000 0.00000E+00 262 gold,native -19.72 -19.72 0.00 0.000 -0.57662E-11 263 silver,native -7.17 -7.17 0.00 0.000 -0.14416E-11 273 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 1 H2O,gas 2.87 -0.01 -2.88 -2.881 0.46768E+04 -0.183 2 CO2,gas -5.57 -7.07 -1.51 -0.502 0.24435E+04 1.193 3 CH4,gas 5.21 -4.68 -9.88 -2.471 0.16043E+05 -7.186 4 H2,gas 9.29 0.60 -8.69 -4.967 0.14108E+05 -5.994 5 H2S,gas -5.33 -12.21 -6.88 -3.441 0.11170E+05 -4.183 6 S2,gas -5.87 -25.62 -19.74 -3.037 0.32044E+05 -17.044 7 CO,gas 4.71 -6.47 -11.18 -3.441 0.18153E+05 -8.486 8 SO3,gas 19.96 -14.62 -34.58 -8.645 0.56126E+05 -31.881 9 O2,gas 56.42 -1.21 -57.63 -38.418 0.93531E+05 -54.928 10 SO2,gas 2.74 -14.01 -16.76 -4.468 0.27195E+05 -14.056 11 HF,gas 2.00 -8.32 -10.32 -5.160 0.16750E+05 -7.621 12 HCl,gas 3.99 -5.34 -9.32 -4.662 0.15133E+05 -9.324 17 albite-high 1.79 -2.58 -4.36 -0.336 0.70843E+04 18 albite 0.61 -2.58 -3.18 -0.245 0.51661E+04 22 analcite 4.43 0.50 -3.92 -0.436 0.63701E+04 26 anhydrite -4.70 -8.97 -4.27 -2.137 0.69362E+04 27 ankerite -1.33 -5.98 -4.65 -0.775 0.75480E+04 34 aragonite 1.39 -1.43 -2.82 -0.939 0.45714E+04 36 calcite 1.25 -1.43 -2.68 -0.893 0.43488E+04 53 coesite -2.46 -3.09 -0.63 -0.209 0.10190E+04 60 cristobalite -2.59 -3.09 -0.50 -0.167 0.81497E+03 65 diaspore 3.81 2.40 -1.42 -0.236 0.23017E+04 66 diamond -3.42 -5.87 -2.45 -0.700 0.39745E+04 83 gibbsite 4.98 2.39 -2.60 -0.371 0.42129E+04 86 goethite 7.04 2.22 -4.82 -1.042 0.78202E+04 87 graphite -3.86 -5.87 -2.00 -0.573 0.32535E+04 90 halite 1.66 -1.05 -2.71 -1.353 0.43918E+04 96 jadeite 5.19 0.51 -4.67 -0.467 0.75853E+04 99 kaolinite 0.22 -1.39 -1.61 -0.146 0.26132E+04 107 magnesite 1.23 -2.52 -3.75 -1.250 0.60860E+04 117 microcline -1.69 -4.08 -2.39 -0.184 0.38740E+04 121 muscovite 5.22 0.71 -4.51 -0.266 0.73265E+04 122 paragonite 7.03 2.21 -4.82 -0.283 0.78175E+04 143 pyrite -21.69 -22.49 -0.80 -0.189 0.13028E+04 145 pyrrhotiteFe0.875 -5.86 -10.07 -4.22 -1.551 0.68435E+04 147 pyrophyllite -4.66 -7.56 -2.90 -0.181 0.47083E+04 153 rhodochrosite -0.63 -3.27 -2.64 -0.878 0.42770E+04 155 sanidine -0.42 -4.08 -3.66 -0.282 0.59398E+04 157 siderite -2.23 -4.55 -2.32 -0.774 0.37687E+04 171 sulfur -9.28 -12.81 -3.53 -1.085 0.57234E+04 172 sylvite 1.35 -2.55 -3.90 -1.949 0.63257E+04 180 topaz-H 6.44 1.70 -4.74 -0.431 0.76895E+04 181 tridymite -2.66 -3.09 -0.43 -0.142 0.69361E+03 198 arsenic -7.67 -12.13 -4.46 -1.150 0.72309E+04 208 chalcedony -2.89 -3.09 -0.20 -0.066 0.32012E+03 209 chalcocite -29.23 -30.49 -1.26 -0.314 0.20377E+04 211 covellite -20.76 -21.65 -0.88 -0.337 0.14343E+04 212 dawsonite 2.50 -0.39 -2.90 -0.362 0.46998E+04 217 montmorillonite-Na -0.49 -5.43 -4.94 -0.303 0.80194E+04 230 gypsum -4.54 -8.99 -4.44 -1.111 0.72125E+04 246 acanthite -29.67 -29.74 -0.07 -0.017 0.10852E+03 252 barite -9.18 -11.68 -2.50 -1.252 0.40631E+04 253 boehmite 5.48 2.40 -3.08 -0.514 0.50046E+04 254 cerussite -2.71 -7.34 -4.62 -1.541 0.75026E+04 255 chalcopyrite -29.37 -31.33 -1.96 -0.364 0.31792E+04 260 fluorite -9.57 -10.99 -1.42 -0.472 0.22973E+04 270 silica-amorphous -2.08 -3.09 -1.01 -0.337 0.16426E+04 271 smithsonite -0.29 -5.23 -4.94 -1.647 0.80194E+04 274 wurtzite -8.43 -10.36 -1.93 -0.644 0.31345E+04 276 an20ab80 3.39 -1.21 -4.60 -0.354 0.74648E+04 277 an25ab75 4.12 -0.86 -4.98 -0.383 0.80843E+04 Calculations done for 81.5497 Deg. C; 500.0000 bar Mixer fraction: 2.2000000 Temperature Stoc.ionic strength Heat per mole Actual solution: 81.550 .54376E+00 1.640 Mixing solution: 25.000 .50000E-10 0.646 Fract. of mixing solution added: 0.100000 BITMOL = 0.5551E+01 OLDMOL = 0.1792E+03 New heat: 1.610 New temperature: 79.857 New mixer fraction: 2.3000000 Resulting temperature: 79.857Deg. C Solids and gases carried Charge balance check after fractionation or titration: TBAL = -.1296E-03 ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ Test file for CHIM-XPT. Mixing of cold water into metal bearing water starting at 199.97 C. Illustrates fluid-fluid mixing. CHIMRUN demo-3 ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ Number of loops used = 7 Loop limit = 70 Temperature = 79.86 C Pressure = 500.00 bar Mixer fraction = 2.3000000 Water: Moles liquid = 0.1833E+03 kg liquid = 0.3302E+01 Moles total = 0.1830E+03 kg total = 0.3297E+01 Activity = 0.9845 Stoichiometric ionic strength = .5272697E+00 Osmotic coef. = 0.9267 True ionic strength = .4568054E+00 Chg. balance for total moles = -.1296E-03 Max. difference allowed = 0.1545E-03 Log Log Log Species(n) Molality Molality Activity Activity Gamma Gamma 1 H+ 0.22365E-04 -4.6504 0.15284E-04 -4.8158 0.68341E+00 -0.1653 2 H2O 0.98449E+00 -0.0068 0.98449E+00 -0.0068 3 Cl- 0.44748E+00 -0.3492 0.29502E+00 -0.5302 0.65928E+00 -0.1809 4 SO4-- 0.55180E-04 -4.2582 0.10224E-04 -4.9904 0.18529E+00 -0.7321 5 HCO3- 0.80826E-02 -2.0924 0.53353E-02 -2.2728 0.66010E+00 -0.1804 6 HS- 0.57677E-07 -7.2390 0.38024E-07 -7.4199 0.65926E+00 -0.1809 7 H4SiO4 0.76543E-03 -3.1161 0.76543E-03 -3.1161 0.10000E+01 0.0000 8 Al+++ 0.47866E-10 -10.3200 0.10536E-11 -11.9773 0.22011E-01 -1.6574 9 Ca++ 0.57479E-03 -3.2405 0.10260E-03 -3.9889 0.17849E+00 -0.7484 10 Mg++ 0.46950E-04 -4.3284 0.82995E-05 -5.0809 0.17677E+00 -0.7526 11 Fe++ 0.43738E-06 -6.3591 0.77452E-07 -7.1110 0.17708E+00 -0.7518 12 K+ 0.13738E-01 -1.8621 0.90390E-02 -2.0439 0.65797E+00 -0.1818 13 Na+ 0.44101E+00 -0.3556 0.28911E+00 -0.5389 0.65557E+00 -0.1834 14 Mn++ 0.84265E-05 -5.0744 0.14945E-05 -5.8255 0.17736E+00 -0.7511 15 Zn++ 0.94569E-07 -7.0243 0.16746E-07 -7.7761 0.17708E+00 -0.7518 16 Cu+ 0.14717E-13 -13.8322 0.96477E-14 -14.0156 0.65555E+00 -0.1834 17 Pb++ 0.67009E-09 -9.1739 0.12068E-09 -9.9184 0.18010E+00 -0.7445 18 Ag+ 0.34593E-13 -13.4610 0.22739E-13 -13.6432 0.65732E+00 -0.1822 19 Au+ 0.45063E-25 -25.3462 0.29668E-25 -25.5277 0.65838E+00 -0.1815 20 Ba++ 0.11015E-05 -5.9580 0.19973E-06 -6.6996 0.18133E+00 -0.7415 21 F- 0.46204E-03 -3.3353 0.30753E-03 -3.5121 0.66559E+00 -0.1768 22 H2AsO3- 0.78091E-08 -8.1074 0.54837E-08 -8.2609 0.70222E+00 -0.1535 24 HSiO3- 0.80637E-07 -7.0935 0.53163E-07 -7.2744 0.65928E+00 -0.1809 25 Ca(HSiO3)+ 0.12632E-09 -9.8985 0.83169E-10 -10.0800 0.65838E+00 -0.1815 26 Mg(HSiO3)+ 0.13856E-10 -10.8583 0.91227E-11 -11.0399 0.65838E+00 -0.1815 27 NaHSiO3,aq 0.28301E-06 -6.5482 0.28301E-06 -6.5482 0.10000E+01 0.0000 32 AgCl2- 0.10895E-09 -9.9628 0.71829E-10 -10.1437 0.65928E+00 -0.1809 33 AgCl3-2 0.22680E-10 -10.6444 0.41757E-11 -11.3793 0.18412E+00 -0.7349 38 Ag(HS),aq 0.13357E-08 -8.8743 0.13357E-08 -8.8743 0.10000E+01 0.0000 40 AlO+ 0.97222E-10 -10.0122 0.64009E-10 -10.1938 0.65838E+00 -0.1815 41 AlOH+2 0.63495E-10 -10.1973 0.11286E-10 -10.9475 0.17774E+00 -0.7502 42 HAlO2,aq 0.42168E-09 -9.3750 0.42168E-09 -9.3750 0.10000E+01 0.0000 43 AlO2- 0.55961E-10 -10.2521 0.37142E-10 -10.4301 0.66371E+00 -0.1780 44 AsO2- 0.69159E-08 -8.1602 0.45595E-08 -8.3411 0.65928E+00 -0.1809 45 HAsO2,aq 0.17348E-04 -4.7607 0.17348E-04 -4.7607 0.10000E+01 0.0000 46 H3AsO3,aq 0.21893E-04 -4.6597 0.21893E-04 -4.6597 0.10000E+01 0.0000 62 BaCO3,aq 0.15224E-10 -10.8175 0.15224E-10 -10.8175 0.10000E+01 0.0000 63 Ba(HCO3)+ 0.50273E-07 -7.2987 0.33208E-07 -7.4788 0.66056E+00 -0.1801 64 BaCl+ 0.78846E-07 -7.1032 0.51911E-07 -7.2847 0.65838E+00 -0.1815 65 BaF+ 0.13135E-09 -9.8816 0.86477E-10 -10.0631 0.65838E+00 -0.1815 66 CH4,aq 0.23058E-10 -10.6372 0.21370E-10 -10.6702 0.92678E+00 -0.0330 72 CO2,aq 0.97863E-01 -1.0094 0.90698E-01 -1.0424 0.92678E+00 -0.0330 73 CO3-2 0.27119E-06 -6.5667 0.49930E-07 -7.3016 0.18412E+00 -0.7349 74 CaCO3,aq 0.33254E-07 -7.4782 0.33254E-07 -7.4782 0.10000E+01 0.0000 75 Ca(HCO3)+ 0.14031E-04 -4.8529 0.92379E-05 -5.0344 0.65838E+00 -0.1815 76 CaCl+ 0.46060E-04 -4.3367 0.30325E-04 -4.5182 0.65838E+00 -0.1815 77 CaCl2,aq 0.19163E-05 -5.7175 0.19163E-05 -5.7175 0.10000E+01 0.0000 78 CaF+ 0.43256E-06 -6.3640 0.28479E-06 -6.5455 0.65838E+00 -0.1815 79 CaOH+ 0.16381E-09 -9.7857 0.10785E-09 -9.9672 0.65838E+00 -0.1815 80 CaSO4,aq 0.21839E-06 -6.6608 0.21839E-06 -6.6608 0.10000E+01 0.0000 81 HCl,aq 0.96803E-06 -6.0141 0.96803E-06 -6.0141 0.10000E+01 0.0000 90 CuCl,aq 0.18367E-10 -10.7360 0.18367E-10 -10.7360 0.10000E+01 0.0000 91 CuCl2- 0.13537E-09 -9.8685 0.89249E-10 -10.0494 0.65928E+00 -0.1809 92 CuCl3-2 0.10465E-10 -10.9802 0.19268E-11 -11.7152 0.18412E+00 -0.7349 98 HF,aq 0.16111E-04 -4.7929 0.16111E-04 -4.7929 0.10000E+01 0.0000 99 HF2- 0.20750E-08 -8.6830 0.13680E-08 -8.8639 0.65928E+00 -0.1809 101 FeCl+ 0.36444E-07 -7.4384 0.23994E-07 -7.6199 0.65838E+00 -0.1815 104 FeF+ 0.12868E-08 -8.8905 0.84717E-09 -9.0720 0.65838E+00 -0.1815 107 FeOH+ 0.11436E-09 -9.9417 0.75291E-10 -10.1233 0.65838E+00 -0.1815 113 H2,aq 0.46144E-09 -9.3359 0.42766E-09 -9.3689 0.92678E+00 -0.0330 114 KCl,aq 0.25267E-04 -4.5974 0.25267E-04 -4.5974 0.10000E+01 0.0000 116 KOH,aq 0.11128E-09 -9.9536 0.11128E-09 -9.9536 0.10000E+01 0.0000 117 KSO4- 0.16338E-05 -5.7868 0.10771E-05 -5.9677 0.65928E+00 -0.1809 118 MgCO3,aq 0.75173E-09 -9.1239 0.75173E-09 -9.1239 0.10000E+01 0.0000 119 Mg(HCO3)+ 0.11497E-05 -5.9394 0.75697E-06 -6.1209 0.65838E+00 -0.1815 120 MgCl+ 0.37780E-05 -5.4227 0.24874E-05 -5.6043 0.65838E+00 -0.1815 121 MgF+ 0.13582E-06 -6.8670 0.89423E-07 -7.0485 0.65838E+00 -0.1815 122 MgOH+ 0.87388E-10 -10.0586 0.57534E-10 -10.2401 0.65838E+00 -0.1815 124 MnF+ 0.77703E-08 -8.1096 0.51158E-08 -8.2911 0.65838E+00 -0.1815 126 MnOH+ 0.18179E-09 -9.7404 0.11968E-09 -9.9220 0.65838E+00 -0.1815 131 MnCl+ 0.20029E-05 -5.6984 0.13186E-05 -5.8799 0.65838E+00 -0.1815 132 MnSO4,aq 0.27470E-08 -8.5611 0.27470E-08 -8.5611 0.10000E+01 0.0000 133 NaCl,aq 0.20400E-01 -1.6904 0.20400E-01 -1.6904 0.10000E+01 0.0000 134 NaF,aq 0.14239E-04 -4.8465 0.14239E-04 -4.8465 0.10000E+01 0.0000 135 NaOH,aq 0.41074E-08 -8.3864 0.41074E-08 -8.3864 0.10000E+01 0.0000 137 OH- 0.34870E-07 -7.4575 0.23144E-07 -7.6356 0.66371E+00 -0.1780 140 PbCl+ 0.22880E-08 -8.6405 0.15064E-08 -8.8221 0.65838E+00 -0.1815 141 PbCl2,aq 0.20148E-08 -8.6958 0.20148E-08 -8.6958 0.10000E+01 0.0000 142 PbCl3- 0.38573E-09 -9.4137 0.25431E-09 -9.5946 0.65928E+00 -0.1809 143 PbCl4-2 0.11852E-09 -9.9262 0.21822E-10 -10.6611 0.18412E+00 -0.7349 150 H2S,aq 0.17037E-05 -5.7686 0.15789E-05 -5.8016 0.92678E+00 -0.0330 159 HSO4- 0.86247E-07 -7.0643 0.57129E-07 -7.2431 0.66239E+00 -0.1789 173 ZnCl+ 0.22324E-06 -6.6512 0.14698E-06 -6.8327 0.65838E+00 -0.1815 174 ZnCl2,aq 0.25362E-07 -7.5958 0.25362E-07 -7.5958 0.10000E+01 0.0000 175 ZnCl3- 0.20562E-08 -8.6869 0.13556E-08 -8.8679 0.65928E+00 -0.1809 176 ZnF+ 0.16594E-09 -9.7800 0.10925E-09 -9.9616 0.65838E+00 -0.1815 178 ZnOH+ 0.25229E-08 -8.5981 0.16610E-08 -8.7796 0.65838E+00 -0.1815 Charge balance for all species = -.3925E-04 Component Molality Aq.molality ppm log[A(N)/A(H+)**Z] (total) 1 H+ 0.2236481E-04 0.9794326E-01 0.9559900E+02 0.0000 2 H2O 0.1000000E+01 0.5541037E+02 0.9666665E+06 0.0000 3 Cl- 0.4474803E+00 0.4679622E+00 0.1606601E+05 4.2856 4 SO4-- 0.5517952E-04 0.5712053E-04 0.5313567E+01 4.6412 5 HCO3- 0.8082587E-02 0.1059616E+00 0.6261018E+04 2.5429 6 HS- 0.5767736E-07 0.1762842E-05 0.5645702E-01 -2.6042 7 H4SiO4 0.7654282E-03 0.7657920E-03 0.7127675E+02 -3.1161 8 Al+++ 0.4786570E-10 0.6862267E-09 0.1792990E-04 2.4699 9 Ca++ 0.5747906E-03 0.6374822E-03 0.2474106E+02 5.6426 10 Mg++ 0.4694992E-04 0.5201436E-04 0.1224583E+01 4.5506 11 Fe++ 0.4373791E-06 0.4752242E-06 0.2570056E-01 2.5205 12 K+ 0.1373765E-01 0.1376456E-01 0.5212010E+03 2.7719 13 Na+ 0.4410069E+00 0.4614210E+00 0.1027251E+05 4.2768 14 Mn++ 0.8426453E-05 0.1044001E-04 0.5554153E+00 3.8060 15 Zn++ 0.9456854E-07 0.3479188E-06 0.2202422E-01 1.8554 16 Cu+ 0.1471705E-13 0.1642193E-09 0.1010451E-04 -9.1998 17 Pb++ 0.6700875E-09 0.5485631E-08 0.1100625E-02 -0.2869 18 Ag+ 0.3459318E-13 0.1473227E-08 0.1538915E-03 -8.8275 19 Au+ 0.4506288E-25 0.2807364E-12 0.5354714E-07 -20.7120 20 Ba++ 0.1101475E-05 0.1230740E-05 0.1636845E+00 2.9320 21 F- 0.4620411E-03 0.4929728E-03 0.9069324E+01 1.3036 22 H2AsO3- 0.7809091E-08 0.3925626E-04 0.4749409E+01 -3.4452 Component Tot moles Aq. moles Solid moles Gas moles 1 H+ 0.3234352E+00 0.3234481E+00 -.1298480E-04 0.0000000E+00 2 H2O 0.1829868E+03 0.1829874E+03 -.5631856E-03 0.0000000E+00 3 Cl- 0.1545400E+01 0.1545400E+01 0.0000000E+00 0.0000000E+00 4 SO4-- 0.1886393E-03 0.1886350E-03 0.4239911E-08 0.0000000E+00 5 HCO3- 0.3499280E+00 0.3499280E+00 0.0000000E+00 0.0000000E+00 6 HS- 0.1403031E-04 0.5821615E-05 0.8208696E-05 0.0000000E+00 7 H4SiO4 0.2811741E-02 0.2528954E-02 0.2827868E-03 0.0000000E+00 8 Al+++ 0.2407279E-05 0.2266198E-08 0.2405013E-05 0.0000000E+00 9 Ca++ 0.2105223E-02 0.2105223E-02 0.0000000E+00 0.0000000E+00 10 Mg++ 0.1717724E-03 0.1717724E-03 0.0000000E+00 0.0000000E+00 11 Fe++ 0.1603305E-05 0.1569382E-05 0.3392296E-07 0.0000000E+00 12 K+ 0.4545612E-01 0.4545612E-01 0.0000000E+00 0.0000000E+00 13 Na+ 0.1523798E+01 0.1523798E+01 0.0000000E+00 0.0000000E+00 14 Mn++ 0.3447712E-04 0.3447712E-04 0.0000000E+00 0.0000000E+00 15 Zn++ 0.7468176E-05 0.1148968E-05 0.6319208E-05 0.0000000E+00 16 Cu+ 0.1701571E-06 0.5423183E-09 0.1696148E-06 0.0000000E+00 17 Pb++ 0.1565021E-05 0.1811577E-07 0.1546905E-05 0.0000000E+00 18 Ag+ 0.4271281E-06 0.4865191E-08 0.4222629E-06 0.0000000E+00 19 Au+ 0.3110961E-11 0.9271047E-12 0.2183856E-11 0.0000000E+00 20 Ba++ 0.4064400E-05 0.4064400E-05 0.0000000E+00 0.0000000E+00 21 F- 0.1630400E-02 0.1627995E-02 0.2405013E-05 0.0000000E+00 22 H2AsO3- 0.1296400E-03 0.1296400E-03 0.0000000E+00 0.0000000E+00 Chg. balance for solid moles: 0.0000E+00 Mass of aqueous solution: 0.341025E+04 g Temperature = 79.86 C Pressure = 500.00 bar Mixer frac. = 2.3000000 Log Log Vol Gas or mineral Moles Moles Grams Grams Wt.% (cm3) quartz 0.2816E-03 -3.550 0.1692E-01 -1.772 92.98 0.6389E-02 argentite 0.2111E-06 -6.675 0.5232E-04 -4.281 0.2876 0.7347E-05 bornite 0.3392E-07 -7.470 0.1702E-04 -4.769 0.9356E-01 0.3349E-05 topaz 0.1203E-05 -5.920 0.2213E-03 -3.655 1.216 0.6196E-04 galena 0.1547E-05 -5.811 0.3701E-03 -3.432 2.034 0.4871E-04 gold,native 0.2184E-11 -11.661 0.4302E-09 -9.366 0.2364E-05 0.2231E-10 silver,native 0.1493E-11 -11.826 0.1611E-09 -9.793 0.8852E-06 0.1534E-10 sphalerite 0.6319E-05 -5.199 0.6157E-03 -3.211 3.384 0.1506E-03 Partial press. Fugacity coef Log fugacity Gas or Mineral Mole fraction or activity Activity coef Log activity quartz 0.1000E+01 0.1000E+01 1.0000 0.000 argentite 0.1000E+01 0.1000E+01 1.0000 0.000 bornite 0.1000E+01 0.1000E+01 1.0000 0.000 topaz 0.1000E+01 0.1000E+01 1.0000 0.000 galena 0.1000E+01 0.1000E+01 1.0000 0.000 gold,native 0.5939E+00 0.2662E+00 0.4481 -0.575 silver,native 0.4061E+00 0.4877E-01 0.1201 -1.312 sphalerite 0.1000E+01 0.1000E+01 1.0000 0.000 Total fraction of mixing solution added: 2.3000000 Solid products produced: Mass = 0.018194 g Volume = 0.006661 cm3 WARNING: mineral volume may be in error because some mineral densities were not supplied in SOLTHERM. See mineral list in file Skip_Species.txt. Gas composition at saturation ( 3 iterations) ------------------------------------------------- Temperature: 79.8574 deg.C Sat. pressure: 16.4271 bar Gas Mole fraction phi Fugacity Partial P(bar) H2O,gas 0.4121E-01 0.9079 0.6147E+00 0.6770E+00 CO2,gas 0.9588E+00 0.9442 0.1487E+02 0.1575E+02 CH4,gas 0.3646E-08 1.0122 0.6062E-07 0.5989E-07 H2,gas 0.5498E-07 1.0093 0.9115E-06 0.9031E-06 H2S,gas 0.4071E-05 0.9295 0.6216E-04 0.6688E-04 S2,gas 0.4638E-18 1.0000 0.7619E-17 0.7619E-17 CO,gas 0.1701E-09 1.0000 0.2795E-08 0.2795E-08 SO3,gas 0.5378E-33 1.0000 0.8834E-32 0.8834E-32 O2,gas 0.3538E-56 1.0000 0.5813E-55 0.5813E-55 SO2,gas 0.4360E-15 1.0000 0.7161E-14 0.7161E-14 HF,gas 0.1280E-08 1.0000 0.2103E-07 0.2103E-07 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 148 quartz -3.10 -3.10 0.00 0.000 0.00000E+00 197 argentite -29.89 -29.89 0.00 0.000 0.00000E+00 206 bornite -92.72 -92.72 0.00 0.000 0.22955E-10 226 topaz -14.83 -14.83 0.00 0.000 0.28694E-11 261 galena -12.52 -12.52 0.00 0.000 -0.28694E-11 262 gold,native -19.84 -19.84 0.00 0.000 0.00000E+00 263 silver,native -7.22 -7.22 0.00 0.000 0.14347E-11 273 sphalerite -10.38 -10.38 0.00 0.000 -0.57387E-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 1 H2O,gas 2.90 -0.01 -2.91 -2.910 0.47011E+04 -0.211 2 CO2,gas -5.56 -7.08 -1.53 -0.509 0.24659E+04 1.172 3 CH4,gas 5.21 -4.71 -9.92 -2.479 0.16018E+05 -7.217 4 H2,gas 9.33 0.59 -8.74 -4.994 0.14117E+05 -6.040 5 H2S,gas -5.33 -12.24 -6.91 -3.453 0.11154E+05 -4.206 6 S2,gas -5.83 -25.65 -19.82 -3.049 0.32011E+05 -17.118 7 CO,gas 4.77 -6.49 -11.25 -3.462 0.18176E+05 -8.554 8 SO3,gas 20.14 -14.62 -34.75 -8.688 0.56136E+05 -32.054 9 O2,gas 56.74 -1.19 -57.93 -38.623 0.93582E+05 -55.236 10 SO2,gas 2.83 -14.02 -16.84 -4.492 0.27208E+05 -14.145 11 HF,gas 2.05 -8.33 -10.38 -5.188 0.16761E+05 -7.677 12 HCl,gas 4.04 -5.35 -9.39 -4.694 0.15166E+05 -9.389 17 albite-high 1.85 -2.57 -4.43 -0.341 0.71514E+04 18 albite 0.66 -2.57 -3.24 -0.249 0.52262E+04 22 analcite 4.50 0.52 -3.98 -0.442 0.64265E+04 26 anhydrite -4.67 -8.98 -4.31 -2.154 0.69586E+04 27 ankerite -1.28 -6.01 -4.73 -0.788 0.76389E+04 34 aragonite 1.41 -1.45 -2.86 -0.953 0.46172E+04 36 calcite 1.28 -1.45 -2.72 -0.907 0.43957E+04 53 coesite -2.47 -3.10 -0.63 -0.210 0.10183E+04 60 cristobalite -2.60 -3.10 -0.51 -0.169 0.81799E+03 65 diaspore 3.89 2.46 -1.43 -0.238 0.23108E+04 66 diamond -3.45 -5.89 -2.44 -0.698 0.39453E+04 83 gibbsite 5.06 2.45 -2.61 -0.373 0.42126E+04 86 goethite 7.09 2.21 -4.87 -1.054 0.78745E+04 87 graphite -3.89 -5.89 -2.00 -0.571 0.32257E+04 90 halite 1.66 -1.07 -2.73 -1.365 0.44094E+04 96 jadeite 5.25 0.53 -4.73 -0.473 0.76324E+04 99 kaolinite 0.32 -1.30 -1.62 -0.147 0.26208E+04 107 magnesite 1.27 -2.54 -3.80 -1.268 0.61448E+04 117 microcline -1.66 -4.08 -2.42 -0.186 0.39113E+04 121 muscovite 5.41 0.83 -4.57 -0.269 0.73864E+04 122 paragonite 7.23 2.34 -4.89 -0.288 0.78968E+04 143 pyrite -21.75 -22.54 -0.79 -0.185 0.12719E+04 145 pyrrhotiteFe0.875 -5.86 -10.10 -4.25 -1.562 0.68616E+04 147 pyrophyllite -4.57 -7.50 -2.93 -0.183 0.47291E+04 153 rhodochrosite -0.61 -3.28 -2.67 -0.889 0.43094E+04 155 sanidine -0.38 -4.08 -3.70 -0.285 0.59772E+04 157 siderite -2.21 -4.57 -2.36 -0.787 0.38117E+04 171 sulfur -9.31 -12.83 -3.52 -1.083 0.56835E+04 172 sylvite 1.34 -2.57 -3.91 -1.957 0.63222E+04 180 topaz-H 6.58 1.81 -4.77 -0.434 0.77044E+04 181 tridymite -2.67 -3.10 -0.43 -0.143 0.69512E+03 198 arsenic -7.71 -12.17 -4.46 -1.151 0.72032E+04 208 chalcedony -2.90 -3.10 -0.20 -0.066 0.32016E+03 209 chalcocite -29.38 -30.64 -1.26 -0.314 0.20305E+04 211 covellite -20.86 -21.73 -0.87 -0.332 0.14077E+04 212 dawsonite 2.56 -0.36 -2.91 -0.364 0.47028E+04 217 montmorillonite-Na -0.40 -5.40 -5.00 -0.306 0.80738E+04 230 gypsum -4.53 -8.99 -4.46 -1.116 0.72092E+04 246 acanthite -29.83 -29.89 -0.06 -0.016 0.10472E+03 252 barite -9.18 -11.69 -2.51 -1.253 0.40487E+04 253 boehmite 5.56 2.46 -3.11 -0.518 0.50200E+04 254 cerussite -2.72 -7.38 -4.66 -1.552 0.75229E+04 255 chalcopyrite -29.48 -31.45 -1.97 -0.366 0.31797E+04 260 fluorite -9.57 -11.01 -1.44 -0.481 0.23303E+04 270 silica-amorphous -2.08 -3.10 -1.02 -0.340 0.16470E+04 271 smithsonite -0.26 -5.23 -4.97 -1.658 0.80330E+04 274 wurtzite -8.44 -10.38 -1.94 -0.647 0.31346E+04 276 an20ab80 3.48 -1.19 -4.67 -0.359 0.75391E+04 Calculations done for 79.8574 Deg. C; 500.0000 bar Mixer fraction: 2.3000000 Temperature Stoc.ionic strength Heat per mole Actual solution: 79.857 .52727E+00 1.610 Mixing solution: 25.000 .50000E-10 0.646 Fract. of mixing solution added: 0.100000 BITMOL = 0.5551E+01 OLDMOL = 0.1847E+03 New heat: 1.582 New temperature: 78.263 New mixer fraction: 2.4000000 Resulting temperature: 78.263Deg. C Solids and gases carried Charge balance check after fractionation or titration: TBAL = -.1296E-03 ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ Test file for CHIM-XPT. Mixing of cold water into metal bearing water starting at 199.97 C. Illustrates fluid-fluid mixing. CHIMRUN demo-3 ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ Number of loops used = 7 Loop limit = 70 Temperature = 78.26 C Pressure = 500.00 bar Mixer fraction = 2.4000000 Water: Moles liquid = 0.1889E+03 kg liquid = 0.3402E+01 Moles total = 0.1885E+03 kg total = 0.3397E+01 Activity = 0.9849 Stoichiometric ionic strength = .5117461E+00 Osmotic coef. = 0.9265 True ionic strength = .4440805E+00 Chg. balance for total moles = -.1296E-03 Max. difference allowed = 0.1545E-03 Log Log Log Species(n) Molality Molality Activity Activity Gamma Gamma 1 H+ 0.22421E-04 -4.6493 0.15382E-04 -4.8130 0.68602E+00 -0.1637 2 H2O 0.98495E+00 -0.0066 0.98495E+00 -0.0066 3 Cl- 0.43503E+00 -0.3615 0.28775E+00 -0.5410 0.66145E+00 -0.1795 4 SO4-- 0.53605E-04 -4.2708 0.10123E-04 -4.9947 0.18885E+00 -0.7239 5 HCO3- 0.78458E-02 -2.1054 0.51954E-02 -2.2844 0.66218E+00 -0.1790 6 HS- 0.54371E-07 -7.2646 0.35962E-07 -7.4442 0.66142E+00 -0.1795 7 H4SiO4 0.74112E-03 -3.1301 0.74112E-03 -3.1301 0.10000E+01 0.0000 8 Al+++ 0.53351E-10 -10.2729 0.12276E-11 -11.9109 0.23011E-01 -1.6381 9 Ca++ 0.55980E-03 -3.2520 0.10192E-03 -3.9917 0.18207E+00 -0.7398 10 Mg++ 0.45691E-04 -4.3402 0.82422E-05 -5.0840 0.18039E+00 -0.7438 11 Fe++ 0.42548E-06 -6.3711 0.76878E-07 -7.1142 0.18068E+00 -0.7431 12 K+ 0.13335E-01 -1.8750 0.88020E-02 -2.0554 0.66005E+00 -0.1804 13 Na+ 0.42874E+00 -0.3678 0.28201E+00 -0.5497 0.65777E+00 -0.1819 14 Mn++ 0.82623E-05 -5.0829 0.14951E-05 -5.8253 0.18096E+00 -0.7424 15 Zn++ 0.94554E-07 -7.0243 0.17084E-07 -7.7674 0.18068E+00 -0.7431 16 Cu+ 0.12857E-13 -13.8909 0.84565E-14 -14.0728 0.65775E+00 -0.1819 17 Pb++ 0.62411E-09 -9.2047 0.11462E-09 -9.9408 0.18365E+00 -0.7360 18 Ag+ 0.30013E-13 -13.5227 0.19791E-13 -13.7035 0.65942E+00 -0.1808 19 Au+ 0.35184E-25 -25.4537 0.23237E-25 -25.6338 0.66044E+00 -0.1802 20 Ba++ 0.10746E-05 -5.9688 0.19866E-06 -6.7019 0.18487E+00 -0.7331 21 F- 0.44934E-03 -3.3474 0.30010E-03 -3.5227 0.66788E+00 -0.1753 22 H2AsO3- 0.71428E-08 -8.1461 0.50251E-08 -8.2989 0.70351E+00 -0.1527 24 HSiO3- 0.75144E-07 -7.1241 0.49704E-07 -7.3036 0.66145E+00 -0.1795 25 Ca(HSiO3)+ 0.11454E-09 -9.9410 0.75650E-10 -10.1212 0.66044E+00 -0.1802 26 Mg(HSiO3)+ 0.12653E-10 -10.8978 0.83564E-11 -11.0780 0.66044E+00 -0.1802 27 NaHSiO3,aq 0.26447E-06 -6.5776 0.26447E-06 -6.5776 0.10000E+01 0.0000 32 AgCl2- 0.92197E-10 -10.0353 0.60984E-10 -10.2148 0.66145E+00 -0.1795 33 AgCl3-2 0.18787E-10 -10.7261 0.35261E-11 -11.4527 0.18768E+00 -0.7266 38 Ag(HS),aq 0.12760E-08 -8.8941 0.12760E-08 -8.8941 0.10000E+01 0.0000 40 AlO+ 0.95713E-10 -10.0190 0.63212E-10 -10.1992 0.66044E+00 -0.1802 41 AlOH+2 0.66241E-10 -10.1789 0.12011E-10 -10.9204 0.18132E+00 -0.7415 42 HAlO2,aq 0.38838E-09 -9.4107 0.38838E-09 -9.4107 0.10000E+01 0.0000 43 AlO2- 0.48780E-10 -10.3118 0.32487E-10 -10.4883 0.66599E+00 -0.1765 44 AsO2- 0.64742E-08 -8.1888 0.42824E-08 -8.3683 0.66145E+00 -0.1795 45 HAsO2,aq 0.16941E-04 -4.7711 0.16941E-04 -4.7711 0.10000E+01 0.0000 46 H3AsO3,aq 0.21148E-04 -4.6747 0.21148E-04 -4.6747 0.10000E+01 0.0000 62 BaCO3,aq 0.14030E-10 -10.8530 0.14030E-10 -10.8530 0.10000E+01 0.0000 63 Ba(HCO3)+ 0.46197E-07 -7.3354 0.30608E-07 -7.5142 0.66256E+00 -0.1788 64 BaCl+ 0.73642E-07 -7.1329 0.48636E-07 -7.3130 0.66044E+00 -0.1802 65 BaF+ 0.12352E-09 -9.9083 0.81576E-10 -10.0884 0.66044E+00 -0.1802 66 CH4,aq 0.21569E-10 -10.6662 0.20017E-10 -10.6986 0.92803E+00 -0.0324 72 CO2,aq 0.94987E-01 -1.0223 0.88151E-01 -1.0548 0.92803E+00 -0.0324 73 CO3-2 0.25631E-06 -6.5912 0.48105E-07 -7.3178 0.18768E+00 -0.7266 74 CaCO3,aq 0.30661E-07 -7.5134 0.30661E-07 -7.5134 0.10000E+01 0.0000 75 Ca(HCO3)+ 0.13230E-04 -4.8784 0.87376E-05 -5.0586 0.66044E+00 -0.1802 76 CaCl+ 0.43291E-04 -4.3636 0.28591E-04 -4.5438 0.66044E+00 -0.1802 77 CaCl2,aq 0.17764E-05 -5.7505 0.17764E-05 -5.7505 0.10000E+01 0.0000 78 CaF+ 0.40685E-06 -6.3906 0.26870E-06 -6.5707 0.66044E+00 -0.1802 79 CaOH+ 0.14333E-09 -9.8437 0.94659E-10 -10.0238 0.66044E+00 -0.1802 80 CaSO4,aq 0.21037E-06 -6.6770 0.21037E-06 -6.6770 0.10000E+01 0.0000 81 HCl,aq 0.94841E-06 -6.0230 0.94841E-06 -6.0230 0.10000E+01 0.0000 90 CuCl,aq 0.15904E-10 -10.7985 0.15904E-10 -10.7985 0.10000E+01 0.0000 91 CuCl2- 0.11406E-09 -9.9429 0.75447E-10 -10.1224 0.66145E+00 -0.1795 98 HF,aq 0.15292E-04 -4.8155 0.15292E-04 -4.8155 0.10000E+01 0.0000 99 HF2- 0.19060E-08 -8.7199 0.12607E-08 -8.8994 0.66145E+00 -0.1795 101 FeCl+ 0.34446E-07 -7.4629 0.22749E-07 -7.6430 0.66044E+00 -0.1802 104 FeF+ 0.12216E-08 -8.9131 0.80679E-09 -9.0932 0.66044E+00 -0.1802 107 FeOH+ 0.10393E-09 -9.9832 0.68642E-10 -10.1634 0.66044E+00 -0.1802 113 H2,aq 0.41395E-09 -9.3831 0.38416E-09 -9.4155 0.92803E+00 -0.0324 114 KCl,aq 0.23120E-04 -4.6360 0.23120E-04 -4.6360 0.10000E+01 0.0000 116 KOH,aq 0.98852E-10 -10.0050 0.98852E-10 -10.0050 0.10000E+01 0.0000 117 KSO4- 0.15421E-05 -5.8119 0.10200E-05 -5.9914 0.66145E+00 -0.1795 118 MgCO3,aq 0.70112E-09 -9.1542 0.70112E-09 -9.1542 0.10000E+01 0.0000 119 Mg(HCO3)+ 0.10833E-05 -5.9652 0.71546E-06 -6.1454 0.66044E+00 -0.1802 120 MgCl+ 0.35818E-05 -5.4459 0.23656E-05 -5.6261 0.66044E+00 -0.1802 121 MgF+ 0.12828E-06 -6.8918 0.84722E-07 -7.0720 0.66044E+00 -0.1802 122 MgOH+ 0.77681E-10 -10.1097 0.51304E-10 -10.2899 0.66044E+00 -0.1802 124 MnF+ 0.74098E-08 -8.1302 0.48937E-08 -8.3104 0.66044E+00 -0.1802 126 MnOH+ 0.16469E-09 -9.7833 0.10877E-09 -9.9635 0.66044E+00 -0.1802 131 MnCl+ 0.18606E-05 -5.7303 0.12288E-05 -5.9105 0.66044E+00 -0.1802 132 MnSO4,aq 0.26482E-08 -8.5770 0.26482E-08 -8.5770 0.10000E+01 0.0000 133 NaCl,aq 0.19106E-01 -1.7188 0.19106E-01 -1.7188 0.10000E+01 0.0000 134 NaF,aq 0.13305E-04 -4.8760 0.13305E-04 -4.8760 0.10000E+01 0.0000 135 NaOH,aq 0.36900E-08 -8.4330 0.36900E-08 -8.4330 0.10000E+01 0.0000 137 OH- 0.32178E-07 -7.4924 0.21430E-07 -7.6690 0.66599E+00 -0.1765 140 PbCl+ 0.20706E-08 -8.6839 0.13675E-08 -8.8641 0.66044E+00 -0.1802 141 PbCl2,aq 0.17604E-08 -8.7544 0.17604E-08 -8.7544 0.10000E+01 0.0000 142 PbCl3- 0.32608E-09 -9.4867 0.21568E-09 -9.6662 0.66145E+00 -0.1795 143 PbCl4-2 0.96921E-10 -10.0136 0.18191E-10 -10.7402 0.18768E+00 -0.7266 150 H2S,aq 0.16427E-05 -5.7845 0.15244E-05 -5.8169 0.92803E+00 -0.0324 159 HSO4- 0.81325E-07 -7.0898 0.54031E-07 -7.2674 0.66438E+00 -0.1776 173 ZnCl+ 0.20393E-06 -6.6905 0.13469E-06 -6.8707 0.66044E+00 -0.1802 174 ZnCl2,aq 0.22811E-07 -7.6419 0.22811E-07 -7.6419 0.10000E+01 0.0000 175 ZnCl3- 0.18285E-08 -8.7379 0.12094E-08 -8.9174 0.66145E+00 -0.1795 176 ZnF+ 0.16149E-09 -9.7918 0.10666E-09 -9.9720 0.66044E+00 -0.1802 178 ZnOH+ 0.22741E-08 -8.6432 0.15019E-08 -8.8234 0.66044E+00 -0.1802 Charge balance for all species = -.3810E-04 Component Molality Aq.molality ppm log[A(N)/A(H+)**Z] (total) 1 H+ 0.2242149E-04 0.9506461E-01 0.9287560E+02 0.0000 2 H2O 0.1000000E+01 0.5541325E+02 0.9676162E+06 0.0000 3 Cl- 0.4350256E+00 0.4542083E+00 0.1560832E+05 4.2720 4 SO4-- 0.5360539E-04 0.5544169E-04 0.5162195E+01 4.6313 5 HCO3- 0.7845840E-02 0.1028473E+00 0.6082655E+04 2.5286 6 HS- 0.5437059E-07 0.1698427E-05 0.5444467E-01 -2.6312 7 H4SiO4 0.7411157E-03 0.7414555E-03 0.6907583E+02 -3.1301 8 Al+++ 0.5335071E-10 0.6524612E-09 0.1706353E-04 2.5281 9 Ca++ 0.5598000E-03 0.6187460E-03 0.2403624E+02 5.6343 10 Mg++ 0.4569142E-04 0.5048561E-04 0.1189697E+01 4.5420 11 Fe++ 0.4254813E-06 0.4612527E-06 0.2496818E-01 2.5118 12 K+ 0.1333534E-01 0.1336000E-01 0.5063531E+03 2.7576 13 Na+ 0.4287398E+00 0.4478594E+00 0.9979871E+04 4.2633 14 Mn++ 0.8262338E-05 0.1013317E-04 0.5395927E+00 3.8007 15 Zn++ 0.9455417E-07 0.3255635E-06 0.2062824E-01 1.8586 16 Cu+ 0.1285675E-13 0.1385939E-09 0.8535707E-05 -9.2598 17 Pb++ 0.6241076E-09 0.4885956E-08 0.9812200E-03 -0.3148 18 Ag+ 0.3001296E-13 0.1392075E-08 0.1455497E-03 -8.8905 19 Au+ 0.3518412E-25 0.2561215E-12 0.4889761E-07 -20.8208 20 Ba++ 0.1074591E-05 0.1194567E-05 0.1590214E+00 2.9241 21 F- 0.4493388E-03 0.4784838E-03 0.8810959E+01 1.2903 22 H2AsO3- 0.7142834E-08 0.3810248E-04 0.4614108E+01 -3.4859 Component Tot moles Aq. moles Solid moles Gas moles 1 H+ 0.3234352E+00 0.3234482E+00 -.1302776E-04 0.0000000E+00 2 H2O 0.1885377E+03 0.1885382E+03 -.5756323E-03 0.0000000E+00 3 Cl- 0.1545400E+01 0.1545400E+01 0.0000000E+00 0.0000000E+00 4 SO4-- 0.1886393E-03 0.1886350E-03 0.4241670E-08 0.0000000E+00 5 HCO3- 0.3499280E+00 0.3499280E+00 0.0000000E+00 0.0000000E+00 6 HS- 0.1403031E-04 0.5778734E-05 0.8251576E-05 0.0000000E+00 7 H4SiO4 0.2811741E-02 0.2522731E-02 0.2890102E-03 0.0000000E+00 8 Al+++ 0.2407279E-05 0.2219937E-08 0.2405059E-05 0.0000000E+00 9 Ca++ 0.2105223E-02 0.2105223E-02 0.0000000E+00 0.0000000E+00 10 Mg++ 0.1717724E-03 0.1717724E-03 0.0000000E+00 0.0000000E+00 11 Fe++ 0.1603305E-05 0.1569368E-05 0.3393711E-07 0.0000000E+00 12 K+ 0.4545612E-01 0.4545612E-01 0.0000000E+00 0.0000000E+00 13 Na+ 0.1523798E+01 0.1523798E+01 0.0000000E+00 0.0000000E+00 14 Mn++ 0.3447712E-04 0.3447712E-04 0.0000000E+00 0.0000000E+00 15 Zn++ 0.7468176E-05 0.1107698E-05 0.6360478E-05 0.0000000E+00 16 Cu+ 0.1701571E-06 0.4715525E-09 0.1696856E-06 0.0000000E+00 17 Pb++ 0.1565021E-05 0.1662399E-07 0.1548397E-05 0.0000000E+00 18 Ag+ 0.4271281E-06 0.4736402E-08 0.4223917E-06 0.0000000E+00 19 Au+ 0.3110961E-11 0.8714288E-12 0.2239532E-11 0.0000000E+00 20 Ba++ 0.4064400E-05 0.4064400E-05 0.0000000E+00 0.0000000E+00 21 F- 0.1630400E-02 0.1627995E-02 0.2405059E-05 0.0000000E+00 22 H2AsO3- 0.1296400E-03 0.1296400E-03 0.0000000E+00 0.0000000E+00 Chg. balance for solid moles: -.1271E-20 Mass of aqueous solution: 0.351025E+04 g Temperature = 78.26 C Pressure = 500.00 bar Mixer frac. = 2.4000000 Log Log Vol Gas or mineral Moles Moles Grams Grams Wt.% (cm3) quartz 0.2878E-03 -3.541 0.1729E-01 -1.762 93.10 0.6530E-02 argentite 0.2112E-06 -6.675 0.5233E-04 -4.281 0.2818 0.7349E-05 bornite 0.3394E-07 -7.469 0.1703E-04 -4.769 0.9169E-01 0.3350E-05 topaz 0.1203E-05 -5.920 0.2213E-03 -3.655 1.192 0.6196E-04 galena 0.1548E-05 -5.810 0.3705E-03 -3.431 1.995 0.4876E-04 gold,native 0.2240E-11 -11.650 0.4411E-09 -9.355 0.2375E-05 0.2288E-10 silver,native 0.1517E-11 -11.819 0.1636E-09 -9.786 0.8810E-06 0.1558E-10 sphalerite 0.6360E-05 -5.197 0.6197E-03 -3.208 3.337 0.1516E-03 Partial press. Fugacity coef Log fugacity Gas or Mineral Mole fraction or activity Activity coef Log activity quartz 0.1000E+01 0.1000E+01 1.0000 0.000 argentite 0.1000E+01 0.1000E+01 1.0000 0.000 bornite 0.1000E+01 0.1000E+01 1.0000 0.000 topaz 0.1000E+01 0.1000E+01 1.0000 0.000 galena 0.1000E+01 0.1000E+01 1.0000 0.000 gold,native 0.5962E+00 0.2687E+00 0.4507 -0.571 silver,native 0.4038E+00 0.4730E-01 0.1171 -1.325 sphalerite 0.1000E+01 0.1000E+01 1.0000 0.000 Total fraction of mixing solution added: 2.4000000 Solid products produced: Mass = 0.018572 g Volume = 0.006803 cm3 WARNING: mineral volume may be in error because some mineral densities were not supplied in SOLTHERM. See mineral list in file Skip_Species.txt. Gas composition at saturation ( 3 iterations) ------------------------------------------------- Temperature: 78.2635 deg.C Sat. pressure: 15.6270 bar Gas Mole fraction phi Fugacity Partial P(bar) H2O,gas 0.4049E-01 0.9119 0.5769E+00 0.6327E+00 CO2,gas 0.9595E+00 0.9460 0.1418E+02 0.1499E+02 CH4,gas 0.3578E-08 1.0116 0.5656E-07 0.5592E-07 H2,gas 0.5220E-07 1.0089 0.8229E-06 0.8157E-06 H2S,gas 0.4054E-05 0.9320 0.5905E-04 0.6336E-04 S2,gas 0.4143E-18 1.0000 0.6474E-17 0.6474E-17 CO,gas 0.1540E-09 1.0000 0.2406E-08 0.2406E-08 SO3,gas 0.3870E-33 1.0000 0.6048E-32 0.6048E-32 O2,gas 0.1894E-56 1.0000 0.2960E-55 0.2960E-55 SO2,gas 0.3770E-15 1.0000 0.5891E-14 0.5891E-14 HF,gas 0.1189E-08 1.0000 0.1858E-07 0.1858E-07 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 148 quartz -3.12 -3.12 0.00 0.000 0.00000E+00 197 argentite -30.04 -30.04 0.00 0.000 0.00000E+00 206 bornite -93.11 -93.11 0.00 0.000 -0.22851E-10 226 topaz -14.75 -14.75 0.00 0.000 0.11426E-10 261 galena -12.57 -12.57 0.00 0.000 0.00000E+00 262 gold,native -19.96 -19.96 0.00 0.000 -0.57128E-11 263 silver,native -7.27 -7.27 0.00 0.000 0.14282E-11 273 sphalerite -10.40 -10.40 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 1 H2O,gas 2.93 -0.01 -2.94 -2.938 0.47241E+04 -0.239 2 CO2,gas -5.54 -7.09 -1.55 -0.516 0.24878E+04 1.152 3 CH4,gas 5.21 -4.74 -9.95 -2.487 0.15994E+05 -7.247 4 H2,gas 9.37 0.58 -8.78 -5.019 0.14124E+05 -6.085 5 H2S,gas -5.33 -12.26 -6.93 -3.464 0.11140E+05 -4.229 6 S2,gas -5.80 -25.68 -19.89 -3.060 0.31980E+05 -17.189 7 CO,gas 4.82 -6.50 -11.32 -3.482 0.18199E+05 -8.619 8 SO3,gas 20.30 -14.61 -34.92 -8.729 0.56147E+05 -32.218 9 O2,gas 57.05 -1.18 -58.23 -38.818 0.93631E+05 -55.529 10 SO2,gas 2.91 -14.02 -16.93 -4.514 0.27222E+05 -14.230 11 HF,gas 2.09 -8.34 -10.43 -5.215 0.16771E+05 -7.731 12 HCl,gas 4.10 -5.35 -9.45 -4.726 0.15198E+05 -9.451 17 albite-high 1.91 -2.57 -4.49 -0.345 0.72137E+04 18 albite 0.71 -2.57 -3.28 -0.253 0.52820E+04 22 analcite 4.57 0.54 -4.03 -0.448 0.64790E+04 26 anhydrite -4.65 -8.99 -4.34 -2.170 0.69802E+04 27 ankerite -1.24 -6.05 -4.80 -0.801 0.77249E+04 34 aragonite 1.44 -1.46 -2.90 -0.966 0.46605E+04 36 calcite 1.30 -1.46 -2.76 -0.920 0.44401E+04 53 coesite -2.48 -3.12 -0.63 -0.211 0.10177E+04 60 cristobalite -2.61 -3.12 -0.51 -0.170 0.82087E+03 65 diaspore 3.96 2.51 -1.44 -0.240 0.23187E+04 66 diamond -3.47 -5.91 -2.44 -0.696 0.39180E+04 83 gibbsite 5.13 2.51 -2.62 -0.374 0.42117E+04 86 goethite 7.14 2.21 -4.93 -1.066 0.79253E+04 87 graphite -3.92 -5.91 -1.99 -0.569 0.31999E+04 90 halite 1.66 -1.09 -2.75 -1.376 0.44267E+04 96 jadeite 5.32 0.54 -4.77 -0.477 0.76760E+04 99 kaolinite 0.42 -1.21 -1.63 -0.148 0.26266E+04 107 magnesite 1.30 -2.56 -3.86 -1.285 0.62004E+04 117 microcline -1.62 -4.08 -2.45 -0.189 0.39456E+04 121 muscovite 5.58 0.95 -4.63 -0.272 0.74404E+04 122 paragonite 7.41 2.46 -4.96 -0.292 0.79693E+04 143 pyrite -21.81 -22.59 -0.77 -0.182 0.12430E+04 145 pyrrhotiteFe0.875 -5.85 -10.13 -4.28 -1.573 0.68784E+04 147 pyrophyllite -4.49 -7.44 -2.95 -0.185 0.47472E+04 153 rhodochrosite -0.60 -3.30 -2.70 -0.900 0.43404E+04 155 sanidine -0.34 -4.08 -3.74 -0.288 0.60115E+04 157 siderite -2.19 -4.59 -2.40 -0.799 0.38523E+04 171 sulfur -9.33 -12.84 -3.51 -1.080 0.56462E+04 172 sylvite 1.33 -2.60 -3.93 -1.965 0.63194E+04 180 topaz-H 6.71 1.91 -4.80 -0.436 0.77170E+04 181 tridymite -2.68 -3.12 -0.43 -0.144 0.69653E+03 198 arsenic -7.75 -12.22 -4.46 -1.152 0.71771E+04 208 chalcedony -2.92 -3.12 -0.20 -0.066 0.32018E+03 209 chalcocite -29.52 -30.78 -1.26 -0.315 0.20238E+04 211 covellite -20.95 -21.81 -0.86 -0.328 0.13828E+04 212 dawsonite 2.61 -0.32 -2.93 -0.366 0.47058E+04 230 gypsum -4.52 -9.00 -4.48 -1.120 0.72067E+04 246 acanthite -29.98 -30.04 -0.06 -0.016 0.10117E+03 252 barite -9.19 -11.70 -2.51 -1.255 0.40357E+04 253 boehmite 5.65 2.51 -3.13 -0.522 0.50339E+04 254 cerussite -2.72 -7.41 -4.69 -1.564 0.75425E+04 255 chalcopyrite -29.58 -31.55 -1.98 -0.368 0.31801E+04 260 fluorite -9.57 -11.04 -1.47 -0.490 0.23624E+04 270 silica-amorphous -2.09 -3.12 -1.03 -0.342 0.16512E+04 274 wurtzite -8.45 -10.40 -1.95 -0.650 0.31348E+04 276 an20ab80 3.56 -1.17 -4.73 -0.364 0.76081E+04 Calculations done for 78.2635 Deg. C; 500.0000 bar Mixer fraction: 2.4000000 Temperature Stoc.ionic strength Heat per mole Actual solution: 78.263 .51175E+00 1.582 Mixing solution: 25.000 .50000E-10 0.646 Fract. of mixing solution added: 0.100000 BITMOL = 0.5551E+01 OLDMOL = 0.1903E+03 New heat: 1.556 New temperature: 76.759 New mixer fraction: 2.5000000 Resulting temperature: 76.759Deg. C Solids and gases carried Charge balance check after fractionation or titration: TBAL = -.1296E-03 ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ Test file for CHIM-XPT. Mixing of cold water into metal bearing water starting at 199.97 C. Illustrates fluid-fluid mixing. CHIMRUN demo-3 ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ Number of loops used = 7 Loop limit = 70 Temperature = 76.76 C Pressure = 500.00 bar Mixer fraction = 2.5000000 Water: Moles liquid = 0.1944E+03 kg liquid = 0.3502E+01 Moles total = 0.1941E+03 kg total = 0.3497E+01 Activity = 0.9854 Stoichiometric ionic strength = .4971104E+00 Osmotic coef. = 0.9263 True ionic strength = .4320344E+00 Chg. balance for total moles = -.1296E-03 Max. difference allowed = 0.1545E-03 Log Log Log Species(n) Molality Molality Activity Activity Gamma Gamma 1 H+ 0.22460E-04 -4.6486 0.15464E-04 -4.8107 0.68850E+00 -0.1621 2 H2O 0.98538E+00 -0.0064 0.98538E+00 -0.0064 3 Cl- 0.42323E+00 -0.3734 0.28084E+00 -0.5515 0.66355E+00 -0.1781 4 SO4-- 0.52118E-04 -4.2830 0.10022E-04 -4.9991 0.19229E+00 -0.7160 5 HCO3- 0.76226E-02 -2.1179 0.50629E-02 -2.2956 0.66420E+00 -0.1777 6 HS- 0.51396E-07 -7.2891 0.34101E-07 -7.4672 0.66351E+00 -0.1782 7 H4SiO4 0.71862E-03 -3.1435 0.71862E-03 -3.1435 0.10000E+01 0.0000 8 Al+++ 0.59096E-10 -10.2284 0.14183E-11 -11.8482 0.24001E-01 -1.6198 9 Ca++ 0.54554E-03 -3.2632 0.10121E-03 -3.9948 0.18552E+00 -0.7316 10 Mg++ 0.44498E-04 -4.3517 0.81823E-05 -5.0871 0.18388E+00 -0.7355 11 Fe++ 0.41421E-06 -6.3828 0.76284E-07 -7.1176 0.18417E+00 -0.7348 12 K+ 0.12956E-01 -1.8875 0.85776E-02 -2.0666 0.66207E+00 -0.1791 13 Na+ 0.41713E+00 -0.3797 0.27526E+00 -0.5603 0.65989E+00 -0.1805 14 Mn++ 0.81015E-05 -5.0914 0.14942E-05 -5.8256 0.18443E+00 -0.7342 15 Zn++ 0.94454E-07 -7.0248 0.17396E-07 -7.7596 0.18417E+00 -0.7348 16 Cu+ 0.11299E-13 -13.9469 0.74561E-14 -14.1275 0.65987E+00 -0.1805 17 Pb++ 0.58266E-09 -9.2346 0.10901E-09 -9.9625 0.18709E+00 -0.7280 18 Ag+ 0.26203E-13 -13.5816 0.17333E-13 -13.7611 0.66146E+00 -0.1795 19 Au+ 0.27767E-25 -25.5565 0.18394E-25 -25.7353 0.66245E+00 -0.1788 20 Ba++ 0.10488E-05 -5.9793 0.19749E-06 -6.7045 0.18830E+00 -0.7252 21 F- 0.43731E-03 -3.3592 0.29303E-03 -3.5331 0.67007E+00 -0.1739 22 H2AsO3- 0.65619E-08 -8.1830 0.46248E-08 -8.3349 0.70480E+00 -0.1519 24 HSiO3- 0.70279E-07 -7.1532 0.46633E-07 -7.3313 0.66355E+00 -0.1781 25 Ca(HSiO3)+ 0.10435E-09 -9.9815 0.69125E-10 -10.1604 0.66245E+00 -0.1788 26 Mg(HSiO3)+ 0.11604E-10 -10.9354 0.76868E-11 -11.1143 0.66245E+00 -0.1788 27 NaHSiO3,aq 0.24792E-06 -6.6057 0.24792E-06 -6.6057 0.10000E+01 0.0000 32 AgCl2- 0.78555E-10 -10.1048 0.52125E-10 -10.2830 0.66355E+00 -0.1781 33 AgCl3-2 0.15681E-10 -10.8046 0.29973E-11 -11.5233 0.19113E+00 -0.7187 38 Ag(HS),aq 0.12212E-08 -8.9132 0.12212E-08 -8.9132 0.10000E+01 0.0000 40 AlO+ 0.94301E-10 -10.0255 0.62469E-10 -10.2043 0.66245E+00 -0.1788 41 AlOH+2 0.68950E-10 -10.1615 0.12742E-10 -10.8948 0.18479E+00 -0.7333 42 HAlO2,aq 0.35929E-09 -9.4446 0.35929E-09 -9.4446 0.10000E+01 0.0000 43 AlO2- 0.42863E-10 -10.3679 0.28640E-10 -10.5430 0.66817E+00 -0.1751 44 AsO2- 0.60782E-08 -8.2162 0.40332E-08 -8.3944 0.66355E+00 -0.1781 45 HAsO2,aq 0.16550E-04 -4.7812 0.16550E-04 -4.7812 0.10000E+01 0.0000 46 H3AsO3,aq 0.20452E-04 -4.6893 0.20452E-04 -4.6893 0.10000E+01 0.0000 62 BaCO3,aq 0.12970E-10 -10.8871 0.12970E-10 -10.8871 0.10000E+01 0.0000 63 Ba(HCO3)+ 0.42582E-07 -7.3708 0.28296E-07 -7.5483 0.66450E+00 -0.1775 64 BaCl+ 0.68936E-07 -7.1616 0.45667E-07 -7.3404 0.66245E+00 -0.1788 65 BaF+ 0.11637E-09 -9.9342 0.77090E-10 -10.1130 0.66245E+00 -0.1788 66 CH4,aq 0.20245E-10 -10.6937 0.18813E-10 -10.7255 0.92925E+00 -0.0319 72 CO2,aq 0.92274E-01 -1.0349 0.85746E-01 -1.0668 0.92925E+00 -0.0319 73 CO3-2 0.24285E-06 -6.6147 0.46417E-07 -7.3333 0.19113E+00 -0.7187 74 CaCO3,aq 0.28363E-07 -7.5473 0.28363E-07 -7.5473 0.10000E+01 0.0000 75 Ca(HCO3)+ 0.12500E-04 -4.9031 0.82806E-05 -5.0819 0.66245E+00 -0.1788 76 CaCl+ 0.40775E-04 -4.3896 0.27011E-04 -4.5685 0.66245E+00 -0.1788 77 CaCl2,aq 0.16510E-05 -5.7823 0.16510E-05 -5.7823 0.10000E+01 0.0000 78 CaF+ 0.38345E-06 -6.4163 0.25402E-06 -6.5951 0.66245E+00 -0.1788 79 CaOH+ 0.12619E-09 -9.8990 0.83596E-10 -10.0778 0.66245E+00 -0.1788 80 CaSO4,aq 0.20279E-06 -6.6930 0.20279E-06 -6.6930 0.10000E+01 0.0000 81 HCl,aq 0.92937E-06 -6.0318 0.92937E-06 -6.0318 0.10000E+01 0.0000 90 CuCl,aq 0.13855E-10 -10.8584 0.13855E-10 -10.8584 0.10000E+01 0.0000 91 CuCl2- 0.96760E-10 -10.0143 0.64205E-10 -10.1924 0.66355E+00 -0.1781 98 HF,aq 0.14538E-04 -4.8375 0.14538E-04 -4.8375 0.10000E+01 0.0000 99 HF2- 0.17547E-08 -8.7558 0.11644E-08 -8.9339 0.66355E+00 -0.1781 101 FeCl+ 0.32618E-07 -7.4865 0.21607E-07 -7.6654 0.66245E+00 -0.1788 104 FeF+ 0.11616E-08 -8.9350 0.76947E-09 -9.1138 0.66245E+00 -0.1788 107 FeOH+ 0.94889E-10 -10.0228 0.62859E-10 -10.2016 0.66245E+00 -0.1788 113 H2,aq 0.37343E-09 -9.4278 0.34701E-09 -9.4597 0.92925E+00 -0.0319 114 KCl,aq 0.21226E-04 -4.6731 0.21226E-04 -4.6731 0.10000E+01 0.0000 116 KOH,aq 0.88300E-10 -10.0540 0.88300E-10 -10.0540 0.10000E+01 0.0000 117 KSO4- 0.14584E-05 -5.8361 0.96768E-06 -6.0143 0.66355E+00 -0.1781 118 MgCO3,aq 0.65567E-09 -9.1833 0.65567E-09 -9.1833 0.10000E+01 0.0000 119 Mg(HCO3)+ 0.10228E-05 -5.9902 0.67756E-06 -6.1690 0.66245E+00 -0.1788 120 MgCl+ 0.34015E-05 -5.4683 0.22533E-05 -5.6472 0.66245E+00 -0.1788 121 MgF+ 0.12139E-06 -6.9158 0.80412E-07 -7.0947 0.66245E+00 -0.1788 122 MgOH+ 0.69445E-10 -10.1584 0.46004E-10 -10.3372 0.66245E+00 -0.1788 124 MnF+ 0.70735E-08 -8.1504 0.46858E-08 -8.3292 0.66245E+00 -0.1788 126 MnOH+ 0.14984E-09 -9.8244 0.99262E-10 -10.0032 0.66245E+00 -0.1788 131 MnCl+ 0.17326E-05 -5.7613 0.11477E-05 -5.9402 0.66245E+00 -0.1788 132 MnSO4,aq 0.25542E-08 -8.5928 0.25542E-08 -8.5928 0.10000E+01 0.0000 133 NaCl,aq 0.17934E-01 -1.7463 0.17934E-01 -1.7463 0.10000E+01 0.0000 134 NaF,aq 0.12460E-04 -4.9045 0.12460E-04 -4.9045 0.10000E+01 0.0000 135 NaOH,aq 0.33315E-08 -8.4774 0.33315E-08 -8.4774 0.10000E+01 0.0000 137 OH- 0.29818E-07 -7.5255 0.19923E-07 -7.7006 0.66817E+00 -0.1751 140 PbCl+ 0.18804E-08 -8.7258 0.12457E-08 -8.9046 0.66245E+00 -0.1788 141 PbCl2,aq 0.15457E-08 -8.8109 0.15457E-08 -8.8109 0.10000E+01 0.0000 142 PbCl3- 0.27729E-09 -9.5571 0.18399E-09 -9.7352 0.66355E+00 -0.1781 143 PbCl4-2 0.79821E-10 -10.0979 0.15257E-10 -10.8165 0.19113E+00 -0.7187 150 H2S,aq 0.15863E-05 -5.7996 0.14741E-05 -5.8315 0.92925E+00 -0.0319 159 HSO4- 0.76832E-07 -7.1145 0.51195E-07 -7.2908 0.66632E+00 -0.1763 173 ZnCl+ 0.18688E-06 -6.7284 0.12380E-06 -6.9073 0.66245E+00 -0.1788 174 ZnCl2,aq 0.20593E-07 -7.6863 0.20593E-07 -7.6863 0.10000E+01 0.0000 175 ZnCl3- 0.16323E-08 -8.7872 0.10831E-08 -8.9653 0.66355E+00 -0.1781 176 ZnF+ 0.15717E-09 -9.8036 0.10412E-09 -9.9825 0.66245E+00 -0.1788 178 ZnOH+ 0.20592E-08 -8.6863 0.13641E-08 -8.8651 0.66245E+00 -0.1788 Charge balance for all species = -.3701E-04 Component Molality Aq.molality ppm log[A(N)/A(H+)**Z] (total) 1 H+ 0.2246047E-04 0.9235035E-01 0.9030307E+02 0.0000 2 H2O 0.1000000E+01 0.5541596E+02 0.9685134E+06 0.0000 3 Cl- 0.4232345E+00 0.4412398E+00 0.1517599E+05 4.2591 4 SO4-- 0.5211831E-04 0.5385873E-04 0.5019208E+01 4.6223 5 HCO3- 0.7622587E-02 0.9991081E-01 0.5914173E+04 2.5151 6 HS- 0.5139586E-07 0.1639035E-05 0.5258696E-01 -2.6565 7 H4SiO4 0.7186238E-03 0.7189421E-03 0.6703724E+02 -3.1435 8 Al+++ 0.5909596E-10 0.6245027E-09 0.1634668E-04 2.5838 9 Ca++ 0.5455390E-03 0.6010796E-03 0.2337046E+02 5.6266 10 Mg++ 0.4449770E-04 0.4904415E-04 0.1156744E+01 4.5342 11 Fe++ 0.4142055E-06 0.4480797E-06 0.2427641E-01 2.5038 12 K+ 0.1295586E-01 0.1297855E-01 0.4923278E+03 2.7440 13 Na+ 0.4171259E+00 0.4350722E+00 0.9703440E+04 4.2504 14 Mn++ 0.8101515E-05 0.9843846E-05 0.5246467E+00 3.7958 15 Zn++ 0.9445431E-07 0.3057726E-06 0.1939127E-01 1.8618 16 Cu+ 0.1129932E-13 0.1177710E-09 0.7259637E-05 -9.3168 17 Pb++ 0.5826646E-09 0.4372962E-08 0.8789695E-03 -0.3412 18 Ag+ 0.2620348E-13 0.1319855E-08 0.1381198E-03 -8.9505 19 Au+ 0.2776712E-25 0.2345222E-12 0.4481328E-07 -20.9246 20 Ba++ 0.1048812E-05 0.1160460E-05 0.1546167E+00 2.9169 21 F- 0.4373075E-03 0.4648222E-03 0.8566905E+01 1.2776 22 H2AsO3- 0.6561862E-08 0.3701458E-04 0.4486303E+01 -3.5242 Component Tot moles Aq. moles Solid moles Gas moles 1 H+ 0.3234352E+00 0.3234482E+00 -.1306598E-04 0.0000000E+00 2 H2O 0.1940885E+03 0.1940891E+03 -.5850427E-03 0.0000000E+00 3 Cl- 0.1545400E+01 0.1545400E+01 0.0000000E+00 0.0000000E+00 4 SO4-- 0.1886393E-03 0.1886350E-03 0.4243138E-08 0.0000000E+00 5 HCO3- 0.3499280E+00 0.3499280E+00 0.0000000E+00 0.0000000E+00 6 HS- 0.1403031E-04 0.5740564E-05 0.8289747E-05 0.0000000E+00 7 H4SiO4 0.2811741E-02 0.2518026E-02 0.2937154E-03 0.0000000E+00 8 Al+++ 0.2407279E-05 0.2187261E-08 0.2405092E-05 0.0000000E+00 9 Ca++ 0.2105223E-02 0.2105223E-02 0.0000000E+00 0.0000000E+00 10 Mg++ 0.1717724E-03 0.1717724E-03 0.0000000E+00 0.0000000E+00 11 Fe++ 0.1603305E-05 0.1569356E-05 0.3394893E-07 0.0000000E+00 12 K+ 0.4545612E-01 0.4545612E-01 0.0000000E+00 0.0000000E+00 13 Na+ 0.1523798E+01 0.1523798E+01 0.0000000E+00 0.0000000E+00 14 Mn++ 0.3447712E-04 0.3447712E-04 0.0000000E+00 0.0000000E+00 15 Zn++ 0.7468176E-05 0.1070939E-05 0.6397237E-05 0.0000000E+00 16 Cu+ 0.1701571E-06 0.4124817E-09 0.1697446E-06 0.0000000E+00 17 Pb++ 0.1565021E-05 0.1531588E-07 0.1549705E-05 0.0000000E+00 18 Ag+ 0.4271281E-06 0.4622663E-08 0.4225054E-06 0.0000000E+00 19 Au+ 0.3110961E-11 0.8213914E-12 0.2289569E-11 0.0000000E+00 20 Ba++ 0.4064400E-05 0.4064400E-05 0.0000000E+00 0.0000000E+00 21 F- 0.1630400E-02 0.1627995E-02 0.2405092E-05 0.0000000E+00 22 H2AsO3- 0.1296400E-03 0.1296400E-03 0.0000000E+00 0.0000000E+00 Chg. balance for solid moles: -.4235E-20 Mass of aqueous solution: 0.361025E+04 g Temperature = 76.76 C Pressure = 500.00 bar Mixer frac. = 2.5000000 Log Log Vol Gas or mineral Moles Moles Grams Grams Wt.% (cm3) quartz 0.2925E-03 -3.534 0.1757E-01 -1.755 93.19 0.6637E-02 argentite 0.2113E-06 -6.675 0.5235E-04 -4.281 0.2776 0.7351E-05 bornite 0.3395E-07 -7.469 0.1704E-04 -4.769 0.9033E-01 0.3351E-05 topaz 0.1203E-05 -5.920 0.2213E-03 -3.655 1.174 0.6196E-04 galena 0.1550E-05 -5.810 0.3708E-03 -3.431 1.966 0.4880E-04 gold,native 0.2290E-11 -11.640 0.4510E-09 -9.346 0.2391E-05 0.2339E-10 silver,native 0.1537E-11 -11.813 0.1658E-09 -9.780 0.8794E-06 0.1579E-10 sphalerite 0.6397E-05 -5.194 0.6233E-03 -3.205 3.305 0.1524E-03 Partial press. Fugacity coef Log fugacity Gas or Mineral Mole fraction or activity Activity coef Log activity quartz 0.1000E+01 0.1000E+01 1.0000 0.000 argentite 0.1000E+01 0.1000E+01 1.0000 0.000 bornite 0.1000E+01 0.1000E+01 1.0000 0.000 topaz 0.1000E+01 0.1000E+01 1.0000 0.000 galena 0.1000E+01 0.1000E+01 1.0000 0.000 gold,native 0.5983E+00 0.2710E+00 0.4530 -0.567 silver,native 0.4017E+00 0.4595E-01 0.1144 -1.338 sphalerite 0.1000E+01 0.1000E+01 1.0000 0.000 Total fraction of mixing solution added: 2.5000000 Solid products produced: Mass = 0.018859 g Volume = 0.006911 cm3 WARNING: mineral volume may be in error because some mineral densities were not supplied in SOLTHERM. See mineral list in file Skip_Species.txt. Gas composition at saturation ( 3 iterations) ------------------------------------------------- Temperature: 76.7595 deg.C Sat. pressure: 14.8881 bar Gas Mole fraction phi Fugacity Partial P(bar) H2O,gas 0.3984E-01 0.9156 0.5431E+00 0.5932E+00 CO2,gas 0.9602E+00 0.9477 0.1355E+02 0.1429E+02 CH4,gas 0.3517E-08 1.0110 0.5294E-07 0.5237E-07 H2,gas 0.4973E-07 1.0085 0.7467E-06 0.7404E-06 H2S,gas 0.4040E-05 0.9344 0.5620E-04 0.6015E-04 S2,gas 0.3719E-18 1.0000 0.5537E-17 0.5537E-17 CO,gas 0.1401E-09 1.0000 0.2085E-08 0.2085E-08 SO3,gas 0.2828E-33 1.0000 0.4211E-32 0.4211E-32 O2,gas 0.1045E-56 1.0000 0.1556E-55 0.1556E-55 SO2,gas 0.3282E-15 1.0000 0.4887E-14 0.4887E-14 HF,gas 0.1108E-08 1.0000 0.1650E-07 0.1650E-07 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 148 quartz -3.13 -3.13 0.00 0.000 0.00000E+00 197 argentite -30.18 -30.18 0.00 0.000 0.00000E+00 206 bornite -93.48 -93.48 0.00 0.000 -0.22753E-10 226 topaz -14.66 -14.66 0.00 0.000 0.28442E-11 261 galena -12.62 -12.62 0.00 0.000 0.28442E-11 262 gold,native -20.07 -20.07 0.00 0.000 0.00000E+00 263 silver,native -7.32 -7.32 0.00 0.000 -0.14221E-11 273 sphalerite -10.42 -10.42 0.00 0.000 0.28442E-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 1 H2O,gas 2.96 -0.01 -2.96 -2.964 0.47459E+04 -0.265 2 CO2,gas -5.53 -7.10 -1.57 -0.522 0.25092E+04 1.132 3 CH4,gas 5.20 -4.77 -9.98 -2.494 0.15972E+05 -7.276 4 H2,gas 9.41 0.58 -8.83 -5.043 0.14131E+05 -6.127 5 H2S,gas -5.33 -12.28 -6.95 -3.475 0.11127E+05 -4.250 6 S2,gas -5.76 -25.71 -19.96 -3.070 0.31952E+05 -17.257 7 CO,gas 4.87 -6.51 -11.38 -3.501 0.18221E+05 -8.681 8 SO3,gas 20.46 -14.61 -35.07 -8.769 0.56159E+05 -32.376 9 O2,gas 57.34 -1.17 -58.51 -39.005 0.93677E+05 -55.808 10 SO2,gas 2.98 -14.03 -17.01 -4.536 0.27235E+05 -14.311 11 HF,gas 2.14 -8.34 -10.48 -5.241 0.16782E+05 -7.782 12 HCl,gas 4.15 -5.36 -9.51 -4.756 0.15229E+05 -9.511 17 albite-high 1.97 -2.57 -4.54 -0.349 0.72719E+04 18 albite 0.76 -2.57 -3.33 -0.256 0.53340E+04 22 analcite 4.63 0.55 -4.08 -0.453 0.65279E+04 26 anhydrite -4.62 -8.99 -4.37 -2.186 0.70010E+04 27 ankerite -1.21 -6.08 -4.88 -0.813 0.78064E+04 34 aragonite 1.46 -1.48 -2.94 -0.979 0.47016E+04 36 calcite 1.32 -1.48 -2.80 -0.933 0.44822E+04 53 coesite -2.50 -3.13 -0.64 -0.212 0.10171E+04 60 cristobalite -2.62 -3.13 -0.51 -0.171 0.82360E+03 65 diaspore 4.02 2.57 -1.45 -0.242 0.23255E+04 66 diamond -3.50 -5.93 -2.43 -0.695 0.38926E+04 83 gibbsite 5.19 2.56 -2.63 -0.376 0.42103E+04 86 goethite 7.18 2.20 -4.98 -1.077 0.79729E+04 87 graphite -3.95 -5.93 -1.98 -0.567 0.31758E+04 90 halite 1.66 -1.11 -2.78 -1.388 0.44437E+04 96 jadeite 5.38 0.56 -4.82 -0.482 0.77164E+04 99 kaolinite 0.52 -1.13 -1.64 -0.149 0.26308E+04 107 magnesite 1.33 -2.57 -3.91 -1.302 0.62531E+04 117 microcline -1.59 -4.08 -2.48 -0.191 0.39771E+04 121 muscovite 5.74 1.06 -4.68 -0.275 0.74893E+04 143 pyrite -21.87 -22.63 -0.76 -0.179 0.12158E+04 145 pyrrhotiteFe0.875 -5.85 -10.16 -4.31 -1.584 0.68942E+04 147 pyrophyllite -4.41 -7.38 -2.97 -0.186 0.47630E+04 153 rhodochrosite -0.58 -3.31 -2.73 -0.910 0.43701E+04 155 sanidine -0.30 -4.08 -3.77 -0.290 0.60432E+04 157 siderite -2.17 -4.60 -2.43 -0.810 0.38908E+04 171 sulfur -9.35 -12.86 -3.50 -1.078 0.56115E+04 172 sylvite 1.33 -2.62 -3.95 -1.973 0.63174E+04 180 topaz-H 6.84 2.01 -4.83 -0.439 0.77275E+04 181 tridymite -2.69 -3.13 -0.44 -0.145 0.69784E+03 198 arsenic -7.79 -12.26 -4.47 -1.153 0.71527E+04 208 chalcedony -2.93 -3.13 -0.20 -0.067 0.32020E+03 209 chalcocite -29.65 -30.91 -1.26 -0.315 0.20174E+04 211 covellite -21.04 -21.88 -0.85 -0.323 0.13595E+04 212 dawsonite 2.66 -0.28 -2.94 -0.368 0.47089E+04 230 gypsum -4.51 -9.01 -4.50 -1.125 0.72049E+04 246 acanthite -30.12 -30.18 -0.06 -0.015 0.97847E+02 252 barite -9.19 -11.70 -2.51 -1.257 0.40238E+04 253 boehmite 5.72 2.57 -3.15 -0.525 0.50463E+04 254 cerussite -2.72 -7.45 -4.72 -1.574 0.75614E+04 255 chalcopyrite -29.67 -31.66 -1.99 -0.370 0.31804E+04 260 fluorite -9.57 -11.06 -1.49 -0.498 0.23935E+04 270 silica-amorphous -2.10 -3.13 -1.03 -0.345 0.16552E+04 274 wurtzite -8.46 -10.42 -1.96 -0.653 0.31350E+04 276 an20ab80 3.64 -1.16 -4.79 -0.369 0.76722E+04 Calculations done for 76.7595 Deg. C; 500.0000 bar Mixer fraction: 2.5000000 Temperature Stoc.ionic strength Heat per mole Actual solution: 76.759 .49711E+00 1.556 Mixing solution: 25.000 .50000E-10 0.646 Fract. of mixing solution added: 0.100000 BITMOL = 0.5551E+01 OLDMOL = 0.1958E+03 New heat: 1.531 New temperature: 75.338 New mixer fraction: 2.6000000 Resulting temperature: 75.338Deg. C Solids and gases carried Charge balance check after fractionation or titration: TBAL = -.1296E-03 ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ Test file for CHIM-XPT. Mixing of cold water into metal bearing water starting at 199.97 C. Illustrates fluid-fluid mixing. CHIMRUN demo-3 ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ Number of loops used = 7 Loop limit = 70 Temperature = 75.34 C Pressure = 500.00 bar Mixer fraction = 2.6000000 Water: Moles liquid = 0.2000E+03 kg liquid = 0.3602E+01 Moles total = 0.1996E+03 kg total = 0.3597E+01 Activity = 0.9858 Stoichiometric ionic strength = .4832886E+00 Osmotic coef. = 0.9261 True ionic strength = .4206153E+00 Chg. balance for total moles = -.1296E-03 Max. difference allowed = 0.1545E-03 Log Log Log Species(n) Molality Molality Activity Activity Gamma Gamma 1 H+ 0.22484E-04 -4.6481 0.15533E-04 -4.8087 0.69085E+00 -0.1606 2 H2O 0.98579E+00 -0.0062 0.98579E+00 -0.0062 3 Cl- 0.41206E+00 -0.3850 0.27425E+00 -0.5618 0.66557E+00 -0.1768 4 SO4-- 0.50711E-04 -4.2949 0.99201E-05 -5.0035 0.19562E+00 -0.7086 5 HCO3- 0.74117E-02 -2.1301 0.49373E-02 -2.3065 0.66615E+00 -0.1764 6 HS- 0.48708E-07 -7.3124 0.32417E-07 -7.4892 0.66552E+00 -0.1768 7 H4SiO4 0.69777E-03 -3.1563 0.69777E-03 -3.1563 0.10000E+01 0.0000 8 Al+++ 0.65088E-10 -10.1865 0.16259E-11 -11.7889 0.24981E-01 -1.6024 9 Ca++ 0.53196E-03 -3.2741 0.10047E-03 -3.9980 0.18887E+00 -0.7238 10 Mg++ 0.43364E-04 -4.3629 0.81205E-05 -5.0904 0.18726E+00 -0.7275 11 Fe++ 0.40351E-06 -6.3942 0.75674E-07 -7.1211 0.18754E+00 -0.7269 12 K+ 0.12597E-01 -1.8997 0.83650E-02 -2.0775 0.66403E+00 -0.1778 13 Na+ 0.40612E+00 -0.3914 0.26883E+00 -0.5705 0.66195E+00 -0.1792 14 Mn++ 0.79443E-05 -5.0999 0.14919E-05 -5.8262 0.18780E+00 -0.7263 15 Zn++ 0.94284E-07 -7.0256 0.17682E-07 -7.7525 0.18754E+00 -0.7269 16 Cu+ 0.99870E-14 -14.0006 0.66107E-14 -14.1798 0.66193E+00 -0.1792 17 Pb++ 0.54524E-09 -9.2634 0.10382E-09 -9.9837 0.19042E+00 -0.7203 18 Ag+ 0.23013E-13 -13.6380 0.15268E-13 -13.8162 0.66344E+00 -0.1782 19 Au+ 0.22136E-25 -25.6549 0.14707E-25 -25.8325 0.66439E+00 -0.1776 20 Ba++ 0.10241E-05 -5.9897 0.19624E-06 -6.7072 0.19162E+00 -0.7176 21 F- 0.42590E-03 -3.3707 0.28627E-03 -3.5432 0.67216E+00 -0.1725 22 H2AsO3- 0.60523E-08 -8.2181 0.42734E-08 -8.3692 0.70608E+00 -0.1511 24 HSiO3- 0.65950E-07 -7.1808 0.43894E-07 -7.3576 0.66557E+00 -0.1768 25 Ca(HSiO3)+ 0.95473E-10 -10.0201 0.63432E-10 -10.1977 0.66439E+00 -0.1776 26 Mg(HSiO3)+ 0.10684E-10 -10.9713 0.70985E-11 -11.1488 0.66439E+00 -0.1776 27 NaHSiO3,aq 0.23309E-06 -6.6325 0.23309E-06 -6.6325 0.10000E+01 0.0000 32 AgCl2- 0.67362E-10 -10.1716 0.44834E-10 -10.3484 0.66557E+00 -0.1768 33 AgCl3-2 0.13182E-10 -10.8800 0.25637E-11 -11.5911 0.19448E+00 -0.7111 38 Ag(HS),aq 0.11708E-08 -8.9315 0.11708E-08 -8.9315 0.10000E+01 0.0000 40 AlO+ 0.92982E-10 -10.0316 0.61777E-10 -10.2092 0.66439E+00 -0.1776 41 AlOH+2 0.71622E-10 -10.1450 0.13476E-10 -10.8704 0.18815E+00 -0.7255 42 HAlO2,aq 0.33376E-09 -9.4766 0.33376E-09 -9.4766 0.10000E+01 0.0000 43 AlO2- 0.37943E-10 -10.4209 0.25432E-10 -10.5946 0.67026E+00 -0.1738 44 AsO2- 0.57218E-08 -8.2425 0.38083E-08 -8.4193 0.66557E+00 -0.1768 45 HAsO2,aq 0.16175E-04 -4.7911 0.16175E-04 -4.7911 0.10000E+01 0.0000 46 H3AsO3,aq 0.19800E-04 -4.7033 0.19800E-04 -4.7033 0.10000E+01 0.0000 62 BaCO3,aq 0.12026E-10 -10.9199 0.12026E-10 -10.9199 0.10000E+01 0.0000 63 Ba(HCO3)+ 0.39365E-07 -7.4049 0.26233E-07 -7.5812 0.66640E+00 -0.1763 64 BaCl+ 0.64669E-07 -7.1893 0.42966E-07 -7.3669 0.66439E+00 -0.1776 65 BaF+ 0.10983E-09 -9.9593 0.72973E-10 -10.1368 0.66439E+00 -0.1776 66 CH4,aq 0.19063E-10 -10.7198 0.17736E-10 -10.7511 0.93043E+00 -0.0313 72 CO2,aq 0.89713E-01 -1.0471 0.83471E-01 -1.0785 0.93043E+00 -0.0313 73 CO3-2 0.23061E-06 -6.6371 0.44849E-07 -7.3482 0.19448E+00 -0.7111 74 CaCO3,aq 0.26316E-07 -7.5798 0.26316E-07 -7.5798 0.10000E+01 0.0000 75 Ca(HCO3)+ 0.11833E-04 -4.9269 0.78619E-05 -5.1045 0.66439E+00 -0.1776 76 CaCl+ 0.38480E-04 -4.4148 0.25566E-04 -4.5923 0.66439E+00 -0.1776 77 CaCl2,aq 0.15381E-05 -5.8130 0.15381E-05 -5.8130 0.10000E+01 0.0000 78 CaF+ 0.36210E-06 -6.4412 0.24058E-06 -6.6187 0.66439E+00 -0.1776 79 CaOH+ 0.11176E-09 -9.9517 0.74250E-10 -10.1293 0.66439E+00 -0.1776 80 CaSO4,aq 0.19564E-06 -6.7085 0.19564E-06 -6.7085 0.10000E+01 0.0000 81 HCl,aq 0.91090E-06 -6.0405 0.91090E-06 -6.0405 0.10000E+01 0.0000 90 CuCl,aq 0.12138E-10 -10.9158 0.12138E-10 -10.9158 0.10000E+01 0.0000 91 CuCl2- 0.82609E-10 -10.0830 0.54982E-10 -10.2598 0.66557E+00 -0.1768 98 HF,aq 0.13841E-04 -4.8588 0.13841E-04 -4.8588 0.10000E+01 0.0000 99 HF2- 0.16191E-08 -8.7907 0.10776E-08 -8.9675 0.66557E+00 -0.1768 101 FeCl+ 0.30940E-07 -7.5095 0.20557E-07 -7.6870 0.66439E+00 -0.1776 104 FeF+ 0.11061E-08 -8.9562 0.73489E-09 -9.1338 0.66439E+00 -0.1776 107 FeOH+ 0.86996E-10 -10.0605 0.57800E-10 -10.2381 0.66439E+00 -0.1776 113 H2,aq 0.33864E-09 -9.4703 0.31508E-09 -9.5016 0.93043E+00 -0.0313 114 KCl,aq 0.19547E-04 -4.7089 0.19547E-04 -4.7089 0.10000E+01 0.0000 116 KOH,aq 0.79280E-10 -10.1008 0.79280E-10 -10.1008 0.10000E+01 0.0000 117 KSO4- 0.13817E-05 -5.8596 0.91958E-06 -6.0364 0.66557E+00 -0.1768 118 MgCO3,aq 0.61470E-09 -9.2113 0.61470E-09 -9.2113 0.10000E+01 0.0000 119 Mg(HCO3)+ 0.96758E-06 -6.0143 0.64286E-06 -6.1919 0.66439E+00 -0.1776 120 MgCl+ 0.32354E-05 -5.4901 0.21496E-05 -5.6676 0.66439E+00 -0.1776 121 MgF+ 0.11507E-06 -6.9391 0.76450E-07 -7.1166 0.66439E+00 -0.1776 122 MgOH+ 0.62410E-10 -10.2047 0.41465E-10 -10.3823 0.66439E+00 -0.1776 124 MnF+ 0.67595E-08 -8.1701 0.44909E-08 -8.3477 0.66439E+00 -0.1776 126 MnOH+ 0.13689E-09 -9.8636 0.90946E-10 -10.0412 0.66439E+00 -0.1776 131 MnCl+ 0.16169E-05 -5.7913 0.10743E-05 -5.9689 0.66439E+00 -0.1776 132 MnSO4,aq 0.24646E-08 -8.6083 0.24646E-08 -8.6083 0.10000E+01 0.0000 133 NaCl,aq 0.16868E-01 -1.7729 0.16868E-01 -1.7729 0.10000E+01 0.0000 134 NaF,aq 0.11694E-04 -4.9320 0.11694E-04 -4.9320 0.10000E+01 0.0000 135 NaOH,aq 0.30218E-08 -8.5197 0.30218E-08 -8.5197 0.10000E+01 0.0000 137 OH- 0.27737E-07 -7.5569 0.18591E-07 -7.7307 0.67026E+00 -0.1738 140 PbCl+ 0.17133E-08 -8.7662 0.11383E-08 -8.9437 0.66439E+00 -0.1776 141 PbCl2,aq 0.13634E-08 -8.8654 0.13634E-08 -8.8654 0.10000E+01 0.0000 142 PbCl3- 0.23713E-09 -9.6250 0.15783E-09 -9.8018 0.66557E+00 -0.1768 143 PbCl4-2 0.66181E-10 -10.1793 0.12871E-10 -10.8904 0.19448E+00 -0.7111 150 H2S,aq 0.15341E-05 -5.8141 0.14274E-05 -5.8455 0.93043E+00 -0.0313 159 HSO4- 0.72721E-07 -7.1383 0.48593E-07 -7.3134 0.66821E+00 -0.1751 173 ZnCl+ 0.17176E-06 -6.7651 0.11412E-06 -6.9427 0.66439E+00 -0.1776 174 ZnCl2,aq 0.18656E-07 -7.7292 0.18656E-07 -7.7292 0.10000E+01 0.0000 175 ZnCl3- 0.14626E-08 -8.8349 0.97346E-09 -9.0117 0.66557E+00 -0.1768 176 ZnF+ 0.15298E-09 -9.8154 0.10164E-09 -9.9929 0.66439E+00 -0.1776 178 ZnOH+ 0.18727E-08 -8.7275 0.12442E-08 -8.9051 0.66439E+00 -0.1776 Charge balance for all species = -.3598E-04 Component Molality Aq.molality ppm log[A(N)/A(H+)**Z] (total) 1 H+ 0.2248414E-04 0.8978678E-01 0.8786920E+02 0.0000 2 H2O 0.1000000E+01 0.5541852E+02 0.9693621E+06 0.0000 3 Cl- 0.4120564E+00 0.4289913E+00 0.1476696E+05 4.2469 4 SO4-- 0.5071128E-04 0.5236365E-04 0.4883929E+01 4.6140 5 HCO3- 0.7411706E-02 0.9713736E-01 0.5754773E+04 2.5022 6 HS- 0.4870840E-07 0.1584097E-05 0.5086650E-01 -2.6805 7 H4SiO4 0.6977687E-03 0.6980679E-03 0.6514487E+02 -3.1563 8 Al+++ 0.6508832E-10 0.6013980E-09 0.1575497E-04 2.6373 9 Ca++ 0.5319591E-03 0.5843941E-03 0.2274057E+02 5.6195 10 Mg++ 0.4336398E-04 0.4768272E-04 0.1125567E+01 4.5271 11 Fe++ 0.4035051E-06 0.4356386E-06 0.2362195E-01 2.4964 12 K+ 0.1259734E-01 0.1261827E-01 0.4790584E+03 2.7312 13 Na+ 0.4061152E+00 0.4229949E+00 0.9441911E+04 4.2382 14 Mn++ 0.7944284E-05 0.9570588E-05 0.5105062E+00 3.7912 15 Zn++ 0.9428410E-07 0.2881890E-06 0.1829134E-01 1.8650 16 Cu+ 0.9987009E-14 0.1007251E-09 0.6214046E-05 -9.3710 17 Pb++ 0.5452372E-09 0.3931781E-08 0.7909475E-03 -0.3662 18 Ag+ 0.2301332E-13 0.1255165E-08 0.1314592E-03 -9.0075 19 Au+ 0.2213569E-25 0.2154846E-12 0.4120968E-07 -21.0237 20 Ba++ 0.1024091E-05 0.1128247E-05 0.1504495E+00 2.9103 21 F- 0.4258958E-03 0.4519190E-03 0.8336008E+01 1.2655 22 H2AsO3- 0.6052302E-08 0.3598708E-04 0.4365387E+01 -3.5605 Component Tot moles Aq. moles Solid moles Gas moles 1 H+ 0.3234352E+00 0.3234483E+00 -.1310002E-04 0.0000000E+00 2 H2O 0.1996393E+03 0.1996399E+03 -.5916488E-03 0.0000000E+00 3 Cl- 0.1545400E+01 0.1545400E+01 0.0000000E+00 0.0000000E+00 4 SO4-- 0.1886393E-03 0.1886350E-03 0.4244371E-08 0.0000000E+00 5 HCO3- 0.3499280E+00 0.3499280E+00 0.0000000E+00 0.0000000E+00 6 HS- 0.1403031E-04 0.5706557E-05 0.8323753E-05 0.0000000E+00 7 H4SiO4 0.2811741E-02 0.2514722E-02 0.2970185E-03 0.0000000E+00 8 Al+++ 0.2407279E-05 0.2166478E-08 0.2405112E-05 0.0000000E+00 9 Ca++ 0.2105223E-02 0.2105223E-02 0.0000000E+00 0.0000000E+00 10 Mg++ 0.1717724E-03 0.1717724E-03 0.0000000E+00 0.0000000E+00 11 Fe++ 0.1603305E-05 0.1569346E-05 0.3395885E-07 0.0000000E+00 12 K+ 0.4545612E-01 0.4545612E-01 0.0000000E+00 0.0000000E+00 13 Na+ 0.1523798E+01 0.1523798E+01 0.0000000E+00 0.0000000E+00 14 Mn++ 0.3447712E-04 0.3447712E-04 0.0000000E+00 0.0000000E+00 15 Zn++ 0.7468176E-05 0.1038173E-05 0.6430003E-05 0.0000000E+00 16 Cu+ 0.1701571E-06 0.3628524E-09 0.1697943E-06 0.0000000E+00 17 Pb++ 0.1565021E-05 0.1416386E-07 0.1550857E-05 0.0000000E+00 18 Ag+ 0.4271281E-06 0.4521610E-08 0.4226065E-06 0.0000000E+00 19 Au+ 0.3110961E-11 0.7762624E-12 0.2334698E-11 0.0000000E+00 20 Ba++ 0.4064400E-05 0.4064400E-05 0.0000000E+00 0.0000000E+00 21 F- 0.1630400E-02 0.1627995E-02 0.2405112E-05 0.0000000E+00 22 H2AsO3- 0.1296400E-03 0.1296400E-03 0.0000000E+00 0.0000000E+00 Chg. balance for solid moles: -.1271E-20 Mass of aqueous solution: 0.371025E+04 g Temperature = 75.34 C Pressure = 500.00 bar Mixer frac. = 2.6000000 Log Log Vol Gas or mineral Moles Moles Grams Grams Wt.% (cm3) quartz 0.2958E-03 -3.529 0.1777E-01 -1.750 93.24 0.6712E-02 argentite 0.2113E-06 -6.675 0.5236E-04 -4.281 0.2747 0.7353E-05 bornite 0.3396E-07 -7.469 0.1704E-04 -4.769 0.8940E-01 0.3352E-05 topaz 0.1203E-05 -5.920 0.2213E-03 -3.655 1.161 0.6196E-04 galena 0.1551E-05 -5.809 0.3710E-03 -3.431 1.947 0.4883E-04 gold,native 0.2335E-11 -11.632 0.4599E-09 -9.337 0.2413E-05 0.2385E-10 silver,native 0.1555E-11 -11.808 0.1677E-09 -9.775 0.8800E-06 0.1597E-10 sphalerite 0.6430E-05 -5.192 0.6265E-03 -3.203 3.287 0.1532E-03 Partial press. Fugacity coef Log fugacity Gas or Mineral Mole fraction or activity Activity coef Log activity quartz 0.1000E+01 0.1000E+01 1.0000 0.000 argentite 0.1000E+01 0.1000E+01 1.0000 0.000 bornite 0.1000E+01 0.1000E+01 1.0000 0.000 topaz 0.1000E+01 0.1000E+01 1.0000 0.000 galena 0.1000E+01 0.1000E+01 1.0000 0.000 gold,native 0.6002E+00 0.2732E+00 0.4551 -0.564 silver,native 0.3998E+00 0.4471E-01 0.1118 -1.350 sphalerite 0.1000E+01 0.1000E+01 1.0000 0.000 Total fraction of mixing solution added: 2.6000000 Solid products produced: Mass = 0.019061 g Volume = 0.006986 cm3 WARNING: mineral volume may be in error because some mineral densities were not supplied in SOLTHERM. See mineral list in file Skip_Species.txt. Gas composition at saturation ( 3 iterations) ------------------------------------------------- Temperature: 75.3380 deg.C Sat. pressure: 14.2045 bar Gas Mole fraction phi Fugacity Partial P(bar) H2O,gas 0.3927E-01 0.9190 0.5126E+00 0.5578E+00 CO2,gas 0.9607E+00 0.9493 0.1295E+02 0.1365E+02 CH4,gas 0.3463E-08 1.0104 0.4970E-07 0.4918E-07 H2,gas 0.4754E-07 1.0081 0.6808E-06 0.6753E-06 H2S,gas 0.4029E-05 0.9366 0.5360E-04 0.5722E-04 S2,gas 0.3355E-18 1.0000 0.4766E-17 0.4766E-17 CO,gas 0.1280E-09 1.0000 0.1818E-08 0.1818E-08 SO3,gas 0.2097E-33 1.0000 0.2978E-32 0.2978E-32 O2,gas 0.5930E-57 1.0000 0.8424E-56 0.8424E-56 SO2,gas 0.2876E-15 1.0000 0.4085E-14 0.4085E-14 HF,gas 0.1036E-08 1.0000 0.1472E-07 0.1472E-07 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 148 quartz -3.14 -3.14 0.00 0.000 0.00000E+00 197 argentite -30.31 -30.31 0.00 0.000 0.00000E+00 206 bornite -93.84 -93.84 0.00 0.000 0.22661E-10 226 topaz -14.59 -14.59 0.00 0.000 -0.84979E-11 261 galena -12.66 -12.66 0.00 0.000 0.28326E-11 262 gold,native -20.17 -20.17 0.00 0.000 0.00000E+00 263 silver,native -7.37 -7.37 0.00 0.000 -0.28326E-11 273 sphalerite -10.43 -10.43 0.00 0.000 0.28326E-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 1 H2O,gas 2.98 -0.01 -2.99 -2.989 0.47666E+04 -0.290 2 CO2,gas -5.52 -7.11 -1.59 -0.529 0.25300E+04 1.112 3 CH4,gas 5.20 -4.80 -10.00 -2.501 0.15950E+05 -7.304 4 H2,gas 9.44 0.57 -8.87 -5.066 0.14138E+05 -6.167 5 H2S,gas -5.33 -12.30 -6.97 -3.485 0.11114E+05 -4.271 6 S2,gas -5.72 -25.75 -20.02 -3.080 0.31926E+05 -17.322 7 CO,gas 4.91 -6.53 -11.44 -3.520 0.18242E+05 -8.740 8 SO3,gas 20.61 -14.61 -35.22 -8.806 0.56171E+05 -32.526 9 O2,gas 57.61 -1.16 -58.77 -39.182 0.93722E+05 -56.074 10 SO2,gas 3.05 -14.03 -17.09 -4.557 0.27249E+05 -14.389 11 HF,gas 2.18 -8.35 -10.53 -5.266 0.16793E+05 -7.832 12 HCl,gas 4.20 -5.37 -9.57 -4.784 0.15259E+05 -9.569 17 albite-high 2.03 -2.57 -4.59 -0.353 0.73263E+04 18 albite 0.81 -2.57 -3.38 -0.260 0.53825E+04 22 analcite 4.69 0.57 -4.12 -0.458 0.65735E+04 26 anhydrite -4.60 -9.00 -4.40 -2.202 0.70212E+04 27 ankerite -1.17 -6.11 -4.94 -0.824 0.78838E+04 34 aragonite 1.48 -1.50 -2.97 -0.991 0.47406E+04 36 calcite 1.34 -1.50 -2.84 -0.945 0.45221E+04 53 coesite -2.51 -3.14 -0.64 -0.212 0.10165E+04 60 cristobalite -2.63 -3.14 -0.52 -0.173 0.82619E+03 65 diaspore 4.09 2.62 -1.46 -0.244 0.23313E+04 66 diamond -3.52 -5.95 -2.43 -0.693 0.38689E+04 83 gibbsite 5.26 2.62 -2.64 -0.377 0.42084E+04 87 graphite -3.97 -5.95 -1.98 -0.565 0.31534E+04 90 halite 1.66 -1.13 -2.80 -1.399 0.44603E+04 96 jadeite 5.44 0.58 -4.86 -0.486 0.77540E+04 99 kaolinite 0.61 -1.04 -1.65 -0.150 0.26337E+04 107 magnesite 1.36 -2.59 -3.95 -1.318 0.63031E+04 117 microcline -1.56 -4.08 -2.51 -0.193 0.40062E+04 121 muscovite 5.90 1.17 -4.72 -0.278 0.75336E+04 143 pyrite -21.93 -22.67 -0.75 -0.176 0.11902E+04 145 pyrrhotiteFe0.875 -5.85 -10.18 -4.33 -1.593 0.69089E+04 147 pyrophyllite -4.33 -7.33 -3.00 -0.187 0.47767E+04 153 rhodochrosite -0.57 -3.32 -2.76 -0.919 0.43985E+04 155 sanidine -0.27 -4.08 -3.81 -0.293 0.60724E+04 157 siderite -2.16 -4.62 -2.46 -0.821 0.39274E+04 171 sulfur -9.37 -12.87 -3.50 -1.077 0.55790E+04 172 sylvite 1.32 -2.64 -3.96 -1.980 0.63160E+04 180 topaz-H 6.96 2.11 -4.85 -0.441 0.77363E+04 181 tridymite -2.71 -3.14 -0.44 -0.146 0.69907E+03 198 arsenic -7.83 -12.30 -4.47 -1.154 0.71298E+04 208 chalcedony -2.94 -3.14 -0.20 -0.067 0.32021E+03 209 chalcocite -29.78 -31.04 -1.26 -0.315 0.20114E+04 211 covellite -21.12 -21.96 -0.84 -0.320 0.13377E+04 212 dawsonite 2.70 -0.25 -2.95 -0.369 0.47121E+04 230 gypsum -4.50 -9.01 -4.52 -1.129 0.72036E+04 246 acanthite -30.25 -30.31 -0.06 -0.015 0.94730E+02 252 barite -9.19 -11.71 -2.52 -1.258 0.40131E+04 253 boehmite 5.80 2.62 -3.17 -0.529 0.50574E+04 254 cerussite -2.73 -7.48 -4.75 -1.584 0.75797E+04 255 chalcopyrite -29.76 -31.76 -1.99 -0.371 0.31806E+04 260 fluorite -9.56 -11.08 -1.52 -0.507 0.24239E+04 270 silica-amorphous -2.10 -3.14 -1.04 -0.347 0.16591E+04 274 wurtzite -8.47 -10.43 -1.97 -0.655 0.31351E+04 276 an20ab80 3.71 -1.14 -4.85 -0.373 0.77321E+04 Calculations done for 75.3380 Deg. C; 500.0000 bar Mixer fraction: 2.6000000 Temperature Stoc.ionic strength Heat per mole Actual solution: 75.338 .48329E+00 1.531 Mixing solution: 25.000 .50000E-10 0.646 Fract. of mixing solution added: 0.100000 BITMOL = 0.5551E+01 OLDMOL = 0.2014E+03 New heat: 1.507 New temperature: 73.992 New mixer fraction: 2.7000000 Resulting temperature: 73.992Deg. C Solids and gases carried Charge balance check after fractionation or titration: TBAL = -.1296E-03 ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ Test file for CHIM-XPT. Mixing of cold water into metal bearing water starting at 199.97 C. Illustrates fluid-fluid mixing. CHIMRUN demo-3 ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ Number of loops used = 7 Loop limit = 70 Temperature = 73.99 C Pressure = 500.00 bar Mixer fraction = 2.7000000 Water: Moles liquid = 0.2055E+03 kg liquid = 0.3702E+01 Moles total = 0.2052E+03 kg total = 0.3697E+01 Activity = 0.9862 Stoichiometric ionic strength = .4702147E+00 Osmotic coef. = 0.9259 True ionic strength = .4097728E+00 Chg. balance for total moles = -.1296E-03 Max. difference allowed = 0.1545E-03 Log Log Log Species(n) Molality Molality Activity Activity Gamma Gamma 1 H+ 0.22521E-04 -4.6474 0.15609E-04 -4.8066 0.69309E+00 -0.1592 2 H2O 0.98617E+00 -0.0060 0.98617E+00 -0.0060 3 Cl- 0.40144E+00 -0.3964 0.26805E+00 -0.5718 0.66771E+00 -0.1754 4 SO4-- 0.49378E-04 -4.3065 0.98217E-05 -5.0078 0.19891E+00 -0.7013 5 HCO3- 0.72122E-02 -2.1419 0.48195E-02 -2.3170 0.66824E+00 -0.1751 6 HS- 0.46272E-07 -7.3347 0.30894E-07 -7.5101 0.66766E+00 -0.1754 7 H4SiO4 0.67921E-03 -3.1680 0.67921E-03 -3.1680 0.10000E+01 0.0000 8 Al+++ 0.71407E-10 -10.1463 0.18537E-11 -11.7320 0.25959E-01 -1.5857 9 Ca++ 0.51903E-03 -3.2848 0.99743E-04 -4.0011 0.19217E+00 -0.7163 10 Mg++ 0.42288E-04 -4.3738 0.80599E-05 -5.0937 0.19060E+00 -0.7199 11 Fe++ 0.39335E-06 -6.4052 0.75076E-07 -7.1245 0.19087E+00 -0.7193 12 K+ 0.12258E-01 -1.9116 0.81653E-02 -2.0880 0.66612E+00 -0.1764 13 Na+ 0.39566E+00 -0.4027 0.26277E+00 -0.5804 0.66412E+00 -0.1778 14 Mn++ 0.77909E-05 -5.1084 0.14890E-05 -5.8271 0.19112E+00 -0.7187 15 Zn++ 0.94198E-07 -7.0260 0.17979E-07 -7.7452 0.19087E+00 -0.7193 16 Cu+ 0.88947E-14 -14.0509 0.59070E-14 -14.2286 0.66411E+00 -0.1778 17 Pb++ 0.51264E-09 -9.2902 0.99302E-10 -10.0030 0.19371E+00 -0.7129 18 Ag+ 0.20368E-13 -13.6910 0.13556E-13 -13.8679 0.66554E+00 -0.1768 19 Au+ 0.17881E-25 -25.7476 0.11917E-25 -25.9238 0.66648E+00 -0.1762 20 Ba++ 0.10004E-05 -5.9998 0.19498E-06 -6.7100 0.19490E+00 -0.7102 21 F- 0.41504E-03 -3.3819 0.27989E-03 -3.5530 0.67436E+00 -0.1711 22 H2AsO3- 0.55969E-08 -8.2521 0.39601E-08 -8.4023 0.70756E+00 -0.1502 24 HSiO3- 0.62075E-07 -7.2071 0.41448E-07 -7.3825 0.66771E+00 -0.1754 25 Ca(HSiO3)+ 0.87668E-10 -10.0572 0.58429E-10 -10.2334 0.66648E+00 -0.1762 27 NaHSiO3,aq 0.21969E-06 -6.6582 0.21969E-06 -6.6582 0.10000E+01 0.0000 32 AgCl2- 0.58197E-10 -10.2351 0.38859E-10 -10.4105 0.66771E+00 -0.1754 33 AgCl3-2 0.11164E-10 -10.9522 0.22080E-11 -11.6560 0.19777E+00 -0.7038 38 Ag(HS),aq 0.11256E-08 -8.9486 0.11256E-08 -8.9486 0.10000E+01 0.0000 40 AlO+ 0.91831E-10 -10.0370 0.61203E-10 -10.2132 0.66648E+00 -0.1762 41 AlOH+2 0.74295E-10 -10.1290 0.14225E-10 -10.8470 0.19147E+00 -0.7179 42 HAlO2,aq 0.31172E-09 -9.5062 0.31172E-09 -9.5062 0.10000E+01 0.0000 43 AlO2- 0.33799E-10 -10.4711 0.22728E-10 -10.6434 0.67246E+00 -0.1723 44 AsO2- 0.53977E-08 -8.2678 0.36041E-08 -8.4432 0.66771E+00 -0.1754 45 HAsO2,aq 0.15820E-04 -4.8008 0.15820E-04 -4.8008 0.10000E+01 0.0000 46 H3AsO3,aq 0.19184E-04 -4.7171 0.19184E-04 -4.7171 0.10000E+01 0.0000 62 BaCO3,aq 0.11188E-10 -10.9513 0.11188E-10 -10.9513 0.10000E+01 0.0000 63 Ba(HCO3)+ 0.36491E-07 -7.4378 0.24392E-07 -7.6128 0.66844E+00 -0.1749 64 BaCl+ 0.60795E-07 -7.2161 0.40519E-07 -7.3923 0.66648E+00 -0.1762 65 BaF+ 0.10382E-09 -9.9837 0.69196E-10 -10.1599 0.66648E+00 -0.1762 66 CH4,aq 0.17995E-10 -10.7449 0.16763E-10 -10.7756 0.93158E+00 -0.0308 72 CO2,aq 0.87289E-01 -1.0590 0.81316E-01 -1.0898 0.93158E+00 -0.0308 73 CO3-2 0.21944E-06 -6.6587 0.43399E-07 -7.3625 0.19777E+00 -0.7038 74 CaCO3,aq 0.24499E-07 -7.6108 0.24499E-07 -7.6108 0.10000E+01 0.0000 75 Ca(HCO3)+ 0.11217E-04 -4.9501 0.74755E-05 -5.1264 0.66648E+00 -0.1762 76 CaCl+ 0.36375E-04 -4.4392 0.24243E-04 -4.6154 0.66648E+00 -0.1762 77 CaCl2,aq 0.14354E-05 -5.8430 0.14354E-05 -5.8430 0.10000E+01 0.0000 78 CaF+ 0.34242E-06 -6.4654 0.22821E-06 -6.6417 0.66648E+00 -0.1762 79 CaOH+ 0.99549E-10 -10.0020 0.66347E-10 -10.1782 0.66648E+00 -0.1762 80 CaSO4,aq 0.18896E-06 -6.7236 0.18896E-06 -6.7236 0.10000E+01 0.0000 81 HCl,aq 0.89349E-06 -6.0489 0.89349E-06 -6.0489 0.10000E+01 0.0000 90 CuCl,aq 0.10718E-10 -10.9699 0.10718E-10 -10.9699 0.10000E+01 0.0000 91 CuCl2- 0.71138E-10 -10.1479 0.47500E-10 -10.3233 0.66771E+00 -0.1754 98 HF,aq 0.13212E-04 -4.8790 0.13212E-04 -4.8790 0.10000E+01 0.0000 99 HF2- 0.14995E-08 -8.8241 0.10012E-08 -8.9995 0.66771E+00 -0.1754 101 FeCl+ 0.29389E-07 -7.5318 0.19587E-07 -7.7080 0.66648E+00 -0.1762 104 FeF+ 0.10544E-08 -8.9770 0.70275E-09 -9.1532 0.66648E+00 -0.1762 107 FeOH+ 0.80036E-10 -10.0967 0.53342E-10 -10.2729 0.66648E+00 -0.1762 113 H2,aq 0.30871E-09 -9.5104 0.28759E-09 -9.5412 0.93158E+00 -0.0308 114 KCl,aq 0.18066E-04 -4.7431 0.18066E-04 -4.7431 0.10000E+01 0.0000 116 KOH,aq 0.71580E-10 -10.1452 0.71580E-10 -10.1452 0.10000E+01 0.0000 117 KSO4- 0.13112E-05 -5.8823 0.87547E-06 -6.0578 0.66771E+00 -0.1754 118 MgCO3,aq 0.57782E-09 -9.2382 0.57782E-09 -9.2382 0.10000E+01 0.0000 119 Mg(HCO3)+ 0.91636E-06 -6.0379 0.61073E-06 -6.2142 0.66648E+00 -0.1762 120 MgCl+ 0.30808E-05 -5.5113 0.20533E-05 -5.6876 0.66648E+00 -0.1762 121 MgF+ 0.10920E-06 -6.9618 0.72776E-07 -7.1380 0.66648E+00 -0.1762 122 MgOH+ 0.56340E-10 -10.2492 0.37549E-10 -10.4254 0.66648E+00 -0.1762 124 MnF+ 0.64628E-08 -8.1896 0.43073E-08 -8.3658 0.66648E+00 -0.1762 126 MnOH+ 0.12552E-09 -9.9013 0.83655E-10 -10.0775 0.66648E+00 -0.1762 131 MnCl+ 0.15122E-05 -5.8204 0.10079E-05 -5.9966 0.66648E+00 -0.1762 132 MnSO4,aq 0.23806E-08 -8.6233 0.23806E-08 -8.6233 0.10000E+01 0.0000 133 NaCl,aq 0.15899E-01 -1.7986 0.15899E-01 -1.7986 0.10000E+01 0.0000 134 NaF,aq 0.11001E-04 -4.9586 0.11001E-04 -4.9586 0.10000E+01 0.0000 135 NaOH,aq 0.27539E-08 -8.5601 0.27539E-08 -8.5601 0.10000E+01 0.0000 137 OH- 0.25892E-07 -7.5868 0.17411E-07 -7.7592 0.67246E+00 -0.1723 140 PbCl+ 0.15695E-08 -8.8042 0.10461E-08 -8.9804 0.66648E+00 -0.1762 141 PbCl2,aq 0.12111E-08 -8.9168 0.12111E-08 -8.9168 0.10000E+01 0.0000 142 PbCl3- 0.20436E-09 -9.6896 0.13645E-09 -9.8650 0.66771E+00 -0.1754 143 PbCl4-2 0.55360E-10 -10.2568 0.10949E-10 -10.9606 0.19777E+00 -0.7038 150 H2S,aq 0.14861E-05 -5.8280 0.13844E-05 -5.8587 0.93158E+00 -0.0308 159 HSO4- 0.69006E-07 -7.1611 0.46250E-07 -7.3349 0.67023E+00 -0.1738 173 ZnCl+ 0.15862E-06 -6.7996 0.10572E-06 -6.9759 0.66648E+00 -0.1762 174 ZnCl2,aq 0.16987E-07 -7.7699 0.16987E-07 -7.7699 0.10000E+01 0.0000 175 ZnCl3- 0.13163E-08 -8.8806 0.87893E-09 -9.0560 0.66771E+00 -0.1754 176 ZnF+ 0.14911E-09 -9.8265 0.99375E-10 -10.0027 0.66648E+00 -0.1762 178 ZnOH+ 0.17128E-08 -8.7663 0.11416E-08 -8.9425 0.66648E+00 -0.1762 Charge balance for all species = -.3501E-04 Component Molality Aq.molality ppm log[A(N)/A(H+)**Z] (total) 1 H+ 0.2252124E-04 0.8736170E-01 0.8556309E+02 0.0000 2 H2O 0.1000000E+01 0.5542095E+02 0.9701661E+06 0.0000 3 Cl- 0.4014421E+00 0.4174045E+00 0.1437940E+05 4.2348 4 SO4-- 0.4937793E-04 0.5094934E-04 0.4755750E+01 4.6054 5 HCO3- 0.7212247E-02 0.9451373E-01 0.5603739E+04 2.4896 6 HS- 0.4627158E-07 0.1533601E-05 0.4928373E-01 -2.7035 7 H4SiO4 0.6792055E-03 0.6794874E-03 0.6346073E+02 -3.1680 8 Al+++ 0.7140746E-10 0.5830500E-09 0.1528631E-04 2.6879 9 Ca++ 0.5190269E-03 0.5686099E-03 0.2214375E+02 5.6121 10 Mg++ 0.4228786E-04 0.4639484E-04 0.1096026E+01 4.5196 11 Fe++ 0.3933466E-06 0.4238700E-06 0.2300188E-01 2.4887 12 K+ 0.1225808E-01 0.1227746E-01 0.4664855E+03 2.7186 13 Na+ 0.3956595E+00 0.4115700E+00 0.9194108E+04 4.2262 14 Mn++ 0.7790897E-05 0.9312091E-05 0.4971080E+00 3.7861 15 Zn++ 0.9419760E-07 0.2729816E-06 0.1733974E-01 1.8680 16 Cu+ 0.8894737E-14 0.8689498E-10 0.5365035E-05 -9.4220 17 Pb++ 0.5126359E-09 0.3559048E-08 0.7165283E-03 -0.3898 18 Ag+ 0.2036831E-13 0.1198241E-08 0.1255959E-03 -9.0613 19 Au+ 0.1788138E-25 0.1988800E-12 0.3806407E-07 -21.1172 20 Ba++ 0.1000372E-05 0.1097773E-05 0.1465009E+00 2.9032 21 F- 0.4150378E-03 0.4397129E-03 0.8117229E+01 1.2536 22 H2AsO3- 0.5596880E-08 0.3501509E-04 0.4250818E+01 -3.5957 Component Tot moles Aq. moles Solid moles Gas moles 1 H+ 0.3234352E+00 0.3234483E+00 -.1312858E-04 0.0000000E+00 2 H2O 0.2051901E+03 0.2051907E+03 -.5896206E-03 0.0000000E+00 3 Cl- 0.1545400E+01 0.1545400E+01 0.0000000E+00 0.0000000E+00 4 SO4-- 0.1886393E-03 0.1886350E-03 0.4245392E-08 0.0000000E+00 5 HCO3- 0.3499280E+00 0.3499280E+00 0.0000000E+00 0.0000000E+00 6 HS- 0.1403031E-04 0.5678011E-05 0.8352300E-05 0.0000000E+00 7 H4SiO4 0.2811741E-02 0.2515737E-02 0.2960044E-03 0.0000000E+00 8 Al+++ 0.2407279E-05 0.2158686E-08 0.2405120E-05 0.0000000E+00 9 Ca++ 0.2105223E-02 0.2105223E-02 0.0000000E+00 0.0000000E+00 10 Mg++ 0.1717724E-03 0.1717724E-03 0.0000000E+00 0.0000000E+00 11 Fe++ 0.1603305E-05 0.1569338E-05 0.3396708E-07 0.0000000E+00 12 K+ 0.4545612E-01 0.4545612E-01 0.0000000E+00 0.0000000E+00 13 Na+ 0.1523798E+01 0.1523798E+01 0.0000000E+00 0.0000000E+00 14 Mn++ 0.3447712E-04 0.3447712E-04 0.0000000E+00 0.0000000E+00 15 Zn++ 0.7468176E-05 0.1010688E-05 0.6457488E-05 0.0000000E+00 16 Cu+ 0.1701571E-06 0.3217203E-09 0.1698354E-06 0.0000000E+00 17 Pb++ 0.1565021E-05 0.1317703E-07 0.1551844E-05 0.0000000E+00 18 Ag+ 0.4271281E-06 0.4436373E-08 0.4226917E-06 0.0000000E+00 19 Au+ 0.3110961E-11 0.7363340E-12 0.2374627E-11 0.0000000E+00 20 Ba++ 0.4064400E-05 0.4064400E-05 0.0000000E+00 0.0000000E+00 21 F- 0.1630400E-02 0.1627995E-02 0.2405120E-05 0.0000000E+00 22 H2AsO3- 0.1296400E-03 0.1296400E-03 0.0000000E+00 0.0000000E+00 Chg. balance for solid moles: 0.3388E-20 Mass of aqueous solution: 0.381025E+04 g Temperature = 73.99 C Pressure = 500.00 bar Mixer frac. = 2.7000000 Log Log Vol Gas or mineral Moles Moles Grams Grams Wt.% (cm3) quartz 0.2948E-03 -3.530 0.1771E-01 -1.752 93.21 0.6689E-02 argentite 0.2113E-06 -6.675 0.5237E-04 -4.281 0.2756 0.7354E-05 bornite 0.3397E-07 -7.469 0.1704E-04 -4.768 0.8970E-01 0.3353E-05 topaz 0.1203E-05 -5.920 0.2213E-03 -3.655 1.165 0.6196E-04 galena 0.1552E-05 -5.809 0.3713E-03 -3.430 1.954 0.4887E-04 gold,native 0.2375E-11 -11.624 0.4677E-09 -9.330 0.2461E-05 0.2426E-10 silver,native 0.1570E-11 -11.804 0.1693E-09 -9.771 0.8911E-06 0.1613E-10 sphalerite 0.6457E-05 -5.190 0.6292E-03 -3.201 3.311 0.1539E-03 Partial press. Fugacity coef Log fugacity Gas or Mineral Mole fraction or activity Activity coef Log activity quartz 0.1000E+01 0.1000E+01 1.0000 0.000 argentite 0.1000E+01 0.1000E+01 1.0000 0.000 bornite 0.1000E+01 0.1000E+01 1.0000 0.000 topaz 0.1000E+01 0.1000E+01 1.0000 0.000 galena 0.1000E+01 0.1000E+01 1.0000 0.000 gold,native 0.6020E+00 0.2752E+00 0.4571 -0.560 silver,native 0.3980E+00 0.4358E-01 0.1095 -1.361 sphalerite 0.1000E+01 0.1000E+01 1.0000 0.000 Total fraction of mixing solution added: 2.7000000 Solid products produced: Mass = 0.019003 g Volume = 0.006964 cm3 WARNING: mineral volume may be in error because some mineral densities were not supplied in SOLTHERM. See mineral list in file Skip_Species.txt. Gas composition at saturation ( 3 iterations) ------------------------------------------------- Temperature: 73.9925 deg.C Sat. pressure: 13.5886 bar Gas Mole fraction phi Fugacity Partial P(bar) H2O,gas 0.3875E-01 0.9221 0.4856E+00 0.5266E+00 CO2,gas 0.9612E+00 0.9507 0.1242E+02 0.1306E+02 CH4,gas 0.3412E-08 1.0099 0.4682E-07 0.4636E-07 H2,gas 0.4557E-07 1.0078 0.6240E-06 0.6192E-06 H2S,gas 0.4019E-05 0.9387 0.5126E-04 0.5461E-04 S2,gas 0.3046E-18 1.0000 0.4139E-17 0.4139E-17 CO,gas 0.1176E-09 1.0000 0.1598E-08 0.1598E-08 SO3,gas 0.1582E-33 1.0000 0.2150E-32 0.2150E-32 O2,gas 0.3479E-57 1.0000 0.4728E-56 0.4728E-56 SO2,gas 0.2540E-15 1.0000 0.3452E-14 0.3452E-14 HF,gas 0.9727E-09 1.0000 0.1322E-07 0.1322E-07 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 148 quartz -3.16 -3.16 0.00 0.000 0.00000E+00 197 argentite -30.44 -30.44 0.00 0.000 -0.56434E-11 206 bornite -94.17 -94.17 0.00 0.000 0.45147E-10 226 topaz -14.51 -14.51 0.00 0.000 -0.56434E-11 261 galena -12.71 -12.71 0.00 0.000 0.56434E-11 262 gold,native -20.27 -20.27 0.00 0.000 0.00000E+00 263 silver,native -7.42 -7.42 0.00 0.000 -0.14108E-11 273 sphalerite -10.45 -10.45 0.00 0.000 0.00000E+00 The following gases and minerals are presently EXCLUDED from matrix (Gases and minerals with log(Q/K) less than -5 are not listed below) Gas or Mineral Log K Log Q Log(Q/K) Log(Q/K)/S Affinity Log Fugacity 1 H2O,gas 3.01 -0.01 -3.01 -3.013 0.47856E+04 -0.314 2 CO2,gas -5.51 -7.12 -1.60 -0.535 0.25493E+04 1.094 3 CH4,gas 5.20 -4.83 -10.03 -2.507 0.15930E+05 -7.330 4 H2,gas 9.47 0.57 -8.90 -5.088 0.14143E+05 -6.205 5 H2S,gas -5.33 -12.32 -6.99 -3.495 0.11102E+05 -4.290 6 S2,gas -5.69 -25.77 -20.08 -3.090 0.31900E+05 -17.383 7 CO,gas 4.95 -6.54 -11.50 -3.537 0.18260E+05 -8.796 8 SO3,gas 20.75 -14.62 -35.37 -8.842 0.56179E+05 -32.668 9 O2,gas 57.87 -1.15 -59.02 -39.350 0.93758E+05 -56.325 10 SO2,gas 3.12 -14.04 -17.16 -4.576 0.27259E+05 -14.462 11 HF,gas 2.22 -8.36 -10.58 -5.289 0.16802E+05 -7.879 12 HCl,gas 4.24 -5.38 -9.62 -4.812 0.15286E+05 -9.623 17 albite-high 2.08 -2.57 -4.64 -0.357 0.73772E+04 18 albite 0.85 -2.57 -3.42 -0.263 0.54282E+04 22 analcite 4.75 0.58 -4.17 -0.463 0.66164E+04 26 anhydrite -4.58 -9.01 -4.43 -2.216 0.70406E+04 34 aragonite 1.50 -1.51 -3.01 -1.003 0.47780E+04 36 calcite 1.36 -1.51 -2.87 -0.957 0.45603E+04 53 coesite -2.52 -3.16 -0.64 -0.213 0.10159E+04 60 cristobalite -2.63 -3.16 -0.52 -0.174 0.82853E+03 65 diaspore 4.15 2.68 -1.47 -0.245 0.23363E+04 66 diamond -3.54 -5.97 -2.42 -0.692 0.38467E+04 83 gibbsite 5.32 2.67 -2.65 -0.378 0.42061E+04 87 graphite -3.99 -5.97 -1.97 -0.563 0.31323E+04 90 halite 1.67 -1.15 -2.82 -1.409 0.44764E+04 96 jadeite 5.49 0.59 -4.90 -0.490 0.77893E+04 99 kaolinite 0.69 -0.97 -1.66 -0.151 0.26358E+04 107 magnesite 1.39 -2.60 -4.00 -1.333 0.63507E+04 117 microcline -1.53 -4.07 -2.54 -0.195 0.40338E+04 121 muscovite 6.05 1.28 -4.77 -0.281 0.75748E+04 143 pyrite -21.98 -22.71 -0.73 -0.173 0.11674E+04 145 pyrrhotiteFe0.875 -5.85 -10.21 -4.36 -1.603 0.69234E+04 147 pyrophyllite -4.26 -7.27 -3.01 -0.188 0.47889E+04 153 rhodochrosite -0.55 -3.34 -2.79 -0.929 0.44261E+04 155 sanidine -0.23 -4.07 -3.84 -0.295 0.61001E+04 157 siderite -2.14 -4.63 -2.49 -0.832 0.39625E+04 171 sulfur -9.39 -12.89 -3.49 -1.075 0.55484E+04 172 sylvite 1.32 -2.66 -3.98 -1.988 0.63154E+04 180 topaz-H 7.07 2.20 -4.87 -0.443 0.77436E+04 181 tridymite -2.72 -3.16 -0.44 -0.147 0.70013E+03 198 arsenic -7.86 -12.34 -4.48 -1.155 0.71085E+04 208 chalcedony -2.95 -3.16 -0.20 -0.067 0.32012E+03 209 chalcocite -29.90 -31.16 -1.26 -0.316 0.20052E+04 211 covellite -21.19 -22.02 -0.83 -0.316 0.13171E+04 212 dawsonite 2.75 -0.22 -2.97 -0.371 0.47151E+04 230 gypsum -4.49 -9.02 -4.53 -1.134 0.72028E+04 246 acanthite -30.38 -30.44 -0.06 -0.014 0.91830E+02 252 barite -9.20 -11.72 -2.52 -1.260 0.40038E+04 253 boehmite 5.87 2.68 -3.19 -0.532 0.50673E+04 254 cerussite -2.73 -7.51 -4.78 -1.594 0.75963E+04 255 chalcopyrite -29.85 -31.85 -2.00 -0.373 0.31817E+04 260 fluorite -9.56 -11.11 -1.54 -0.515 0.24535E+04 270 silica-amorphous -2.11 -3.16 -1.05 -0.349 0.16623E+04 274 wurtzite -8.48 -10.45 -1.97 -0.658 0.31351E+04 276 an20ab80 3.78 -1.12 -4.90 -0.377 0.77882E+04 Calculations done for 73.9925 Deg. C; 500.0000 bar Mixer fraction: 2.7000000 Temperature Stoc.ionic strength Heat per mole Actual solution: 73.992 .47021E+00 1.507 Mixing solution: 25.000 .50000E-10 0.646 Fract. of mixing solution added: 0.100000 BITMOL = 0.5551E+01 OLDMOL = 0.2069E+03 New heat: 1.484 New temperature: 72.716 New mixer fraction: 2.8000000 Resulting temperature: 72.716Deg. C Solids and gases carried Charge balance check after fractionation or titration: TBAL = -.1296E-03 ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ Test file for CHIM-XPT. Mixing of cold water into metal bearing water starting at 199.97 C. Illustrates fluid-fluid mixing. CHIMRUN demo-3 ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ Number of loops used = 7 Loop limit = 70 Temperature = 72.72 C Pressure = 500.00 bar Mixer fraction = 2.8000000 Water: Moles liquid = 0.2111E+03 kg liquid = 0.3802E+01 Moles total = 0.2107E+03 kg total = 0.3797E+01 Activity = 0.9865 Stoichiometric ionic strength = .4578295E+00 Osmotic coef. = 0.9257 True ionic strength = .3994685E+00 Chg. balance for total moles = -.1296E-03 Max. difference allowed = 0.1545E-03 Log Log Log Species(n) Molality Molality Activity Activity Gamma Gamma 1 H+ 0.22551E-04 -4.6468 0.15678E-04 -4.8047 0.69523E+00 -0.1579 2 H2O 0.98653E+00 -0.0059 0.98653E+00 -0.0059 3 Cl- 0.39135E+00 -0.4074 0.26213E+00 -0.5815 0.66981E+00 -0.1740 4 SO4-- 0.48113E-04 -4.3177 0.97241E-05 -5.0122 0.20211E+00 -0.6944 5 HCO3- 0.70233E-02 -2.1535 0.47076E-02 -2.3272 0.67028E+00 -0.1737 6 HS- 0.44052E-07 -7.3560 0.29504E-07 -7.5301 0.66975E+00 -0.1741 7 H4SiO4 0.66204E-03 -3.1791 0.66204E-03 -3.1791 0.10000E+01 0.0000 8 Al+++ 0.77987E-10 -10.1080 0.21001E-11 -11.6778 0.26929E-01 -1.5698 9 Ca++ 0.50669E-03 -3.2953 0.99002E-04 -4.0044 0.19539E+00 -0.7091 10 Mg++ 0.41264E-04 -4.3844 0.79985E-05 -5.0970 0.19384E+00 -0.7126 11 Fe++ 0.38368E-06 -6.4160 0.74473E-07 -7.1280 0.19410E+00 -0.7120 12 K+ 0.11937E-01 -1.9231 0.79757E-02 -2.0982 0.66818E+00 -0.1751 13 Na+ 0.38572E+00 -0.4137 0.25699E+00 -0.5901 0.66625E+00 -0.1764 14 Mn++ 0.76415E-05 -5.1168 0.14851E-05 -5.8282 0.19435E+00 -0.7114 15 Zn++ 0.94089E-07 -7.0265 0.18263E-07 -7.7384 0.19410E+00 -0.7120 16 Cu+ 0.79644E-14 -14.0988 0.53062E-14 -14.2752 0.66624E+00 -0.1764 17 Pb++ 0.48322E-09 -9.3159 0.95152E-10 -10.0216 0.19691E+00 -0.7057 18 Ag+ 0.18127E-13 -13.7417 0.12102E-13 -13.9171 0.66762E+00 -0.1755 19 Au+ 0.14581E-25 -25.8362 0.97478E-26 -26.0111 0.66852E+00 -0.1749 20 Ba++ 0.97762E-06 -6.0098 0.19367E-06 -6.7129 0.19810E+00 -0.7031 21 F- 0.40471E-03 -3.3929 0.27379E-03 -3.5626 0.67650E+00 -0.1697 22 H2AsO3- 0.51925E-08 -8.2846 0.36816E-08 -8.4340 0.70904E+00 -0.1493 24 HSiO3- 0.58595E-07 -7.2321 0.39248E-07 -7.4062 0.66981E+00 -0.1740 25 Ca(HSiO3)+ 0.80794E-10 -10.0926 0.54013E-10 -10.2675 0.66852E+00 -0.1749 27 NaHSiO3,aq 0.20757E-06 -6.6828 0.20757E-06 -6.6828 0.10000E+01 0.0000 32 AgCl2- 0.50573E-10 -10.2961 0.33875E-10 -10.4701 0.66981E+00 -0.1740 38 Ag(HS),aq 0.10838E-08 -8.9650 0.10838E-08 -8.9650 0.10000E+01 0.0000 40 AlO+ 0.90771E-10 -10.0421 0.60682E-10 -10.2169 0.66852E+00 -0.1749 41 AlOH+2 0.76943E-10 -10.1138 0.14980E-10 -10.8245 0.19469E+00 -0.7107 42 HAlO2,aq 0.29223E-09 -9.5343 0.29223E-09 -9.5343 0.10000E+01 0.0000 43 AlO2- 0.30292E-10 -10.5187 0.20435E-10 -10.6896 0.67459E+00 -0.1710 44 AsO2- 0.51034E-08 -8.2921 0.34183E-08 -8.4662 0.66981E+00 -0.1740 45 HAsO2,aq 0.15480E-04 -4.8102 0.15480E-04 -4.8102 0.10000E+01 0.0000 46 H3AsO3,aq 0.18604E-04 -4.7304 0.18604E-04 -4.7304 0.10000E+01 0.0000 62 BaCO3,aq 0.10435E-10 -10.9815 0.10435E-10 -10.9815 0.10000E+01 0.0000 63 Ba(HCO3)+ 0.33912E-07 -7.4696 0.22736E-07 -7.6433 0.67044E+00 -0.1736 64 BaCl+ 0.57262E-07 -7.2421 0.38281E-07 -7.4170 0.66852E+00 -0.1749 65 BaF+ 0.98296E-10 -10.0075 0.65713E-10 -10.1823 0.66852E+00 -0.1749 66 CH4,aq 0.17030E-10 -10.7688 0.15884E-10 -10.7990 0.93269E+00 -0.0303 72 CO2,aq 0.84993E-01 -1.0706 0.79272E-01 -1.1009 0.93269E+00 -0.0303 73 CO3-2 0.20920E-06 -6.6794 0.42046E-07 -7.3763 0.20099E+00 -0.6968 74 CaCO3,aq 0.22868E-07 -7.6408 0.22868E-07 -7.6408 0.10000E+01 0.0000 75 Ca(HCO3)+ 0.10649E-04 -4.9727 0.71191E-05 -5.1476 0.66852E+00 -0.1749 76 CaCl+ 0.34444E-04 -4.4629 0.23026E-04 -4.6378 0.66852E+00 -0.1749 77 CaCl2,aq 0.13422E-05 -5.8722 0.13422E-05 -5.8722 0.10000E+01 0.0000 78 CaF+ 0.32433E-06 -6.4890 0.21682E-06 -6.6639 0.66852E+00 -0.1749 79 CaOH+ 0.89124E-10 -10.0500 0.59582E-10 -10.2249 0.66852E+00 -0.1749 80 CaSO4,aq 0.18264E-06 -6.7384 0.18264E-06 -6.7384 0.10000E+01 0.0000 81 HCl,aq 0.87670E-06 -6.0572 0.87670E-06 -6.0572 0.10000E+01 0.0000 91 CuCl2- 0.61632E-10 -10.2102 0.41282E-10 -10.3842 0.66981E+00 -0.1740 98 HF,aq 0.12631E-04 -4.8986 0.12631E-04 -4.8986 0.10000E+01 0.0000 99 HF2- 0.13918E-08 -8.8564 0.93226E-09 -9.0305 0.66981E+00 -0.1740 101 FeCl+ 0.27957E-07 -7.5535 0.18690E-07 -7.7284 0.66852E+00 -0.1749 104 FeF+ 0.10064E-08 -8.9972 0.67283E-09 -9.1721 0.66852E+00 -0.1749 107 FeOH+ 0.73893E-10 -10.1314 0.49399E-10 -10.3063 0.66852E+00 -0.1749 113 H2,aq 0.28270E-09 -9.5487 0.26367E-09 -9.5789 0.93269E+00 -0.0303 114 KCl,aq 0.16743E-04 -4.7762 0.16743E-04 -4.7762 0.10000E+01 0.0000 116 KOH,aq 0.64920E-10 -10.1876 0.64920E-10 -10.1876 0.10000E+01 0.0000 117 KSO4- 0.12462E-05 -5.9044 0.83472E-06 -6.0785 0.66981E+00 -0.1740 118 MgCO3,aq 0.54433E-09 -9.2641 0.54433E-09 -9.2641 0.10000E+01 0.0000 119 Mg(HCO3)+ 0.86921E-06 -6.0609 0.58109E-06 -6.2358 0.66852E+00 -0.1749 120 MgCl+ 0.29374E-05 -5.5320 0.19638E-05 -5.7069 0.66852E+00 -0.1749 121 MgF+ 0.10378E-06 -6.9839 0.69376E-07 -7.1588 0.66852E+00 -0.1749 122 MgOH+ 0.51086E-10 -10.2917 0.34152E-10 -10.4666 0.66852E+00 -0.1749 124 MnF+ 0.61848E-08 -8.2087 0.41347E-08 -8.3836 0.66852E+00 -0.1749 126 MnOH+ 0.11550E-09 -9.9374 0.77213E-10 -10.1123 0.66852E+00 -0.1749 131 MnCl+ 0.14171E-05 -5.8486 0.94738E-06 -6.0235 0.66852E+00 -0.1749 132 MnSO4,aq 0.23008E-08 -8.6381 0.23008E-08 -8.6381 0.10000E+01 0.0000 133 NaCl,aq 0.15014E-01 -1.8235 0.15014E-01 -1.8235 0.10000E+01 0.0000 134 NaF,aq 0.10369E-04 -4.9843 0.10369E-04 -4.9843 0.10000E+01 0.0000 135 NaOH,aq 0.25198E-08 -8.5986 0.25198E-08 -8.5986 0.10000E+01 0.0000 137 OH- 0.24248E-07 -7.6153 0.16358E-07 -7.7863 0.67459E+00 -0.1710 140 PbCl+ 0.14427E-08 -8.8408 0.96448E-09 -9.0157 0.66852E+00 -0.1749 141 PbCl2,aq 0.10807E-08 -8.9663 0.10807E-08 -8.9663 0.10000E+01 0.0000 142 PbCl3- 0.17707E-09 -9.7519 0.11860E-09 -9.9259 0.66981E+00 -0.1740 143 PbCl4-2 0.46603E-10 -10.3316 0.93665E-11 -11.0284 0.20099E+00 -0.6968 150 H2S,aq 0.14414E-05 -5.8412 0.13444E-05 -5.8715 0.93269E+00 -0.0303 159 HSO4- 0.65598E-07 -7.1831 0.44097E-07 -7.3556 0.67223E+00 -0.1725 173 ZnCl+ 0.14693E-06 -6.8329 0.98225E-07 -7.0078 0.66852E+00 -0.1749 174 ZnCl2,aq 0.15520E-07 -7.8091 0.15520E-07 -7.8091 0.10000E+01 0.0000 175 ZnCl3- 0.11888E-08 -8.9249 0.79627E-09 -9.0989 0.66981E+00 -0.1740 176 ZnF+ 0.14540E-09 -9.8374 0.97201E-10 -10.0123 0.66852E+00 -0.1749 178 ZnOH+ 0.15730E-08 -8.8033 0.10516E-08 -8.9782 0.66852E+00 -0.1749 Charge balance for all species = -.3409E-04 Component Molality Aq.molality ppm log[A(N)/A(H+)**Z] (total) 1 H+ 0.2255118E-04 0.8506417E-01 0.8337492E+02 0.0000 2 H2O 0.1000000E+01 0.5542324E+02 0.9709290E+06 0.0000 3 Cl- 0.3913541E+00 0.4064271E+00 0.1401167E+05 4.2232 4 SO4-- 0.4811276E-04 0.4960941E-04 0.4634128E+01 4.5973 5 HCO3- 0.7023271E-02 0.9202810E-01 0.5460430E+04 2.4775 6 HS- 0.4405206E-07 0.1486665E-05 0.4781097E-01 -2.7254 7 H4SiO4 0.6620395E-03 0.6623057E-03 0.6190213E+02 -3.1791 8 Al+++ 0.7798686E-10 0.5682208E-09 0.1490861E-04 2.7364 9 Ca++ 0.5066911E-03 0.5536560E-03 0.2157745E+02 5.6051 10 Mg++ 0.4126365E-04 0.4517469E-04 0.1067997E+01 4.5124 11 Fe++ 0.3836839E-06 0.4127208E-06 0.2241353E-01 2.4814 12 K+ 0.1193658E-01 0.1195457E-01 0.4545557E+03 2.7065 13 Na+ 0.3857218E+00 0.4007461E+00 0.8958979E+04 4.2146 14 Mn++ 0.7641476E-05 0.9067192E-05 0.4843951E+00 3.7812 15 Zn++ 0.9408891E-07 0.2594448E-06 0.1649216E-01 1.8710 16 Cu+ 0.7964401E-14 0.7542105E-10 0.4660085E-05 -9.4705 17 Pb++ 0.4832216E-09 0.3235930E-08 0.6519614E-03 -0.4122 18 Ag+ 0.1812715E-13 0.1146856E-08 0.1202995E-03 -9.1124 19 Au+ 0.1458104E-25 0.1841411E-12 0.3526942E-07 -21.2064 20 Ba++ 0.9776193E-06 0.1068903E-05 0.1427543E+00 2.8965 21 F- 0.4047109E-03 0.4281489E-03 0.7909641E+01 1.2421 22 H2AsO3- 0.5192463E-08 0.3409422E-04 0.4142108E+01 -3.6293 Component Tot moles Aq. moles Solid moles Gas moles 1 H+ 0.3234352E+00 0.3234483E+00 -.1315368E-04 0.0000000E+00 2 H2O 0.2107410E+03 0.2107415E+03 -.5843862E-03 0.0000000E+00 3 Cl- 0.1545400E+01 0.1545400E+01 0.0000000E+00 0.0000000E+00 4 SO4-- 0.1886393E-03 0.1886350E-03 0.4246259E-08 0.0000000E+00 5 HCO3- 0.3499280E+00 0.3499280E+00 0.0000000E+00 0.0000000E+00 6 HS- 0.1403031E-04 0.5652899E-05 0.8377412E-05 0.0000000E+00 7 H4SiO4 0.2811741E-02 0.2518354E-02 0.2933872E-03 0.0000000E+00 8 Al+++ 0.2407279E-05 0.2160605E-08 0.2405118E-05 0.0000000E+00 9 Ca++ 0.2105223E-02 0.2105223E-02 0.0000000E+00 0.0000000E+00 10 Mg++ 0.1717724E-03 0.1717724E-03 0.0000000E+00 0.0000000E+00 11 Fe++ 0.1603305E-05 0.1569331E-05 0.3397407E-07 0.0000000E+00 12 K+ 0.4545612E-01 0.4545612E-01 0.0000000E+00 0.0000000E+00 13 Na+ 0.1523798E+01 0.1523798E+01 0.0000000E+00 0.0000000E+00 14 Mn++ 0.3447712E-04 0.3447712E-04 0.0000000E+00 0.0000000E+00 15 Zn++ 0.7468176E-05 0.9865137E-06 0.6481663E-05 0.0000000E+00 16 Cu+ 0.1701571E-06 0.2867813E-09 0.1698703E-06 0.0000000E+00 17 Pb++ 0.1565021E-05 0.1230431E-07 0.1552716E-05 0.0000000E+00 18 Ag+ 0.4271281E-06 0.4360811E-08 0.4227673E-06 0.0000000E+00 19 Au+ 0.3110961E-11 0.7001789E-12 0.2410782E-11 0.0000000E+00 20 Ba++ 0.4064400E-05 0.4064400E-05 0.0000000E+00 0.0000000E+00 21 F- 0.1630400E-02 0.1627995E-02 0.2405118E-05 0.0000000E+00 22 H2AsO3- 0.1296400E-03 0.1296400E-03 0.0000000E+00 0.0000000E+00 Chg. balance for solid moles: 0.2541E-20 Mass of aqueous solution: 0.391025E+04 g Temperature = 72.72 C Pressure = 500.00 bar Mixer frac. = 2.8000000 Log Log Vol Gas or mineral Moles Moles Grams Grams Wt.% (cm3) quartz 0.2922E-03 -3.534 0.1755E-01 -1.756 93.14 0.6629E-02 argentite 0.2114E-06 -6.675 0.5238E-04 -4.281 0.2779 0.7356E-05 bornite 0.3397E-07 -7.469 0.1705E-04 -4.768 0.9045E-01 0.3354E-05 topaz 0.1203E-05 -5.920 0.2213E-03 -3.655 1.174 0.6196E-04 galena 0.1553E-05 -5.809 0.3715E-03 -3.430 1.971 0.4889E-04 gold,native 0.2411E-11 -11.618 0.4749E-09 -9.323 0.2519E-05 0.2463E-10 silver,native 0.1583E-11 -11.801 0.1707E-09 -9.768 0.9057E-06 0.1626E-10 sphalerite 0.6482E-05 -5.188 0.6315E-03 -3.200 3.350 0.1544E-03 Partial press. Fugacity coef Log fugacity Gas or Mineral Mole fraction or activity Activity coef Log activity quartz 0.1000E+01 0.1000E+01 1.0000 0.000 argentite 0.1000E+01 0.1000E+01 1.0000 0.000 bornite 0.1000E+01 0.1000E+01 1.0000 0.000 topaz 0.1000E+01 0.1000E+01 1.0000 0.000 galena 0.1000E+01 0.1000E+01 1.0000 0.000 gold,native 0.6037E+00 0.2770E+00 0.4589 -0.557 silver,native 0.3963E+00 0.4253E-01 0.1073 -1.371 sphalerite 0.1000E+01 0.1000E+01 1.0000 0.000 Total fraction of mixing solution added: 2.8000000 Solid products produced: Mass = 0.018848 g Volume = 0.006905 cm3 WARNING: mineral volume may be in error because some mineral densities were not supplied in SOLTHERM. See mineral list in file Skip_Species.txt. Gas composition at saturation ( 3 iterations) ------------------------------------------------- Temperature: 72.7162 deg.C Sat. pressure: 13.0190 bar Gas Mole fraction phi Fugacity Partial P(bar) H2O,gas 0.3828E-01 0.9250 0.4611E+00 0.4984E+00 CO2,gas 0.9617E+00 0.9521 0.1192E+02 0.1252E+02 CH4,gas 0.3365E-08 1.0095 0.4423E-07 0.4381E-07 H2,gas 0.4379E-07 1.0075 0.5744E-06 0.5701E-06 H2S,gas 0.4011E-05 0.9406 0.4912E-04 0.5223E-04 S2,gas 0.2777E-18 1.0000 0.3615E-17 0.3615E-17 CO,gas 0.1085E-09 1.0000 0.1412E-08 0.1412E-08 SO3,gas 0.1210E-33 1.0000 0.1575E-32 0.1575E-32 O2,gas 0.2093E-57 1.0000 0.2725E-56 0.2725E-56 SO2,gas 0.2257E-15 1.0000 0.2938E-14 0.2938E-14 HF,gas 0.9157E-09 1.0000 0.1192E-07 0.1192E-07 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 148 quartz -3.17 -3.17 0.00 0.000 0.00000E+00 197 argentite -30.56 -30.56 0.00 0.000 0.00000E+00 206 bornite -94.49 -94.49 0.00 0.000 0.00000E+00 226 topaz -14.44 -14.44 0.00 0.000 0.28113E-11 261 galena -12.75 -12.75 0.00 0.000 0.28113E-11 262 gold,native -20.37 -20.37 0.00 0.000 -0.56226E-11 263 silver,native -7.46 -7.46 0.00 0.000 -0.14057E-11 273 sphalerite -10.46 -10.46 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 1 H2O,gas 3.03 -0.01 -3.04 -3.035 0.48036E+04 -0.336 2 CO2,gas -5.50 -7.13 -1.62 -0.541 0.25681E+04 1.076 3 CH4,gas 5.20 -4.85 -10.05 -2.513 0.15911E+05 -7.354 4 H2,gas 9.51 0.57 -8.94 -5.108 0.14148E+05 -6.241 5 H2S,gas -5.33 -12.33 -7.01 -3.504 0.11091E+05 -4.309 6 S2,gas -5.66 -25.80 -20.14 -3.099 0.31875E+05 -17.442 7 CO,gas 4.99 -6.55 -11.55 -3.554 0.18278E+05 -8.850 8 SO3,gas 20.89 -14.62 -35.50 -8.875 0.56186E+05 -32.803 9 O2,gas 58.12 -1.14 -59.26 -39.509 0.93792E+05 -56.565 10 SO2,gas 3.19 -14.04 -17.23 -4.595 0.27270E+05 -14.532 11 HF,gas 2.26 -8.37 -10.62 -5.311 0.16812E+05 -7.924 12 HCl,gas 4.29 -5.39 -9.68 -4.838 0.15312E+05 -9.675 17 albite-high 2.13 -2.56 -4.69 -0.361 0.74251E+04 18 albite 0.89 -2.56 -3.46 -0.266 0.54711E+04 22 analcite 4.80 0.60 -4.21 -0.467 0.66566E+04 26 anhydrite -4.56 -9.02 -4.46 -2.230 0.70595E+04 34 aragonite 1.51 -1.53 -3.04 -1.014 0.48138E+04 36 calcite 1.38 -1.53 -2.90 -0.968 0.45969E+04 53 coesite -2.53 -3.17 -0.64 -0.214 0.10153E+04 60 cristobalite -2.64 -3.17 -0.52 -0.175 0.83074E+03 65 diaspore 4.20 2.72 -1.48 -0.246 0.23406E+04 66 diamond -3.57 -5.98 -2.42 -0.691 0.38259E+04 83 gibbsite 5.37 2.72 -2.66 -0.379 0.42034E+04 87 graphite -4.02 -5.98 -1.97 -0.562 0.31126E+04 90 halite 1.67 -1.17 -2.84 -1.419 0.44922E+04 96 jadeite 5.55 0.60 -4.94 -0.494 0.78224E+04 99 kaolinite 0.77 -0.89 -1.67 -0.151 0.26370E+04 107 magnesite 1.42 -2.62 -4.04 -1.347 0.63960E+04 117 microcline -1.51 -4.07 -2.57 -0.197 0.40595E+04 121 muscovite 6.19 1.38 -4.81 -0.283 0.76125E+04 143 pyrite -22.03 -22.75 -0.72 -0.170 0.11461E+04 145 pyrrhotiteFe0.875 -5.85 -10.23 -4.38 -1.612 0.69372E+04 147 pyrophyllite -4.19 -7.22 -3.03 -0.190 0.47995E+04 153 rhodochrosite -0.54 -3.35 -2.81 -0.938 0.44528E+04 155 sanidine -0.20 -4.07 -3.87 -0.298 0.61259E+04 157 siderite -2.13 -4.65 -2.53 -0.842 0.39961E+04 171 sulfur -9.41 -12.90 -3.49 -1.073 0.55196E+04 172 sylvite 1.31 -2.68 -3.99 -1.995 0.63154E+04 180 topaz-H 7.18 2.28 -4.90 -0.445 0.77496E+04 181 tridymite -2.72 -3.17 -0.44 -0.148 0.70111E+03 198 arsenic -7.89 -12.37 -4.48 -1.156 0.70886E+04 208 chalcedony -2.97 -3.17 -0.20 -0.067 0.32001E+03 209 chalcocite -30.01 -31.28 -1.26 -0.316 0.19992E+04 211 covellite -21.27 -22.09 -0.82 -0.312 0.12976E+04 212 dawsonite 2.79 -0.19 -2.98 -0.373 0.47181E+04 230 gypsum -4.48 -9.03 -4.55 -1.138 0.72026E+04 246 acanthite -30.50 -30.56 -0.06 -0.014 0.89103E+02 252 barite -9.20 -11.73 -2.52 -1.262 0.39956E+04 253 boehmite 5.93 2.72 -3.21 -0.535 0.50762E+04 254 cerussite -2.73 -7.54 -4.81 -1.603 0.76122E+04 255 chalcopyrite -29.93 -31.94 -2.01 -0.374 0.31829E+04 260 fluorite -9.56 -11.13 -1.57 -0.523 0.24824E+04 270 silica-amorphous -2.12 -3.17 -1.05 -0.351 0.16653E+04 274 wurtzite -8.48 -10.46 -1.98 -0.660 0.31351E+04 276 an20ab80 3.85 -1.11 -4.95 -0.381 0.78409E+04 Calculations done for 72.7162 Deg. C; 500.0000 bar Mixer fraction: 2.8000000 Temperature Stoc.ionic strength Heat per mole Actual solution: 72.716 .45783E+00 1.484 Mixing solution: 25.000 .50000E-10 0.646 Fract. of mixing solution added: 0.100000 BITMOL = 0.5551E+01 OLDMOL = 0.2125E+03 New heat: 1.463 New temperature: 71.505 New mixer fraction: 2.9000000 Resulting temperature: 71.505Deg. C Solids and gases carried Charge balance check after fractionation or titration: TBAL = -.1296E-03 ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ Test file for CHIM-XPT. Mixing of cold water into metal bearing water starting at 199.97 C. Illustrates fluid-fluid mixing. CHIMRUN demo-3 ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ Number of loops used = 7 Loop limit = 70 Temperature = 71.50 C Pressure = 500.00 bar Mixer fraction = 2.9000000 Water: Moles liquid = 0.2166E+03 kg liquid = 0.3902E+01 Moles total = 0.2163E+03 kg total = 0.3897E+01 Activity = 0.9869 Stoichiometric ionic strength = .4460799E+00 Osmotic coef. = 0.9256 True ionic strength = .3896647E+00 Chg. balance for total moles = -.1296E-03 Max. difference allowed = 0.1545E-03 Log Log Log Species(n) Molality Molality Activity Activity Gamma Gamma 1 H+ 0.22567E-04 -4.6465 0.15735E-04 -4.8031 0.69727E+00 -0.1566 2 H2O 0.98688E+00 -0.0057 0.98688E+00 -0.0057 3 Cl- 0.38176E+00 -0.4182 0.25647E+00 -0.5910 0.67181E+00 -0.1728 4 SO4-- 0.46911E-04 -4.3287 0.96267E-05 -5.0165 0.20521E+00 -0.6878 5 HCO3- 0.68440E-02 -2.1647 0.46008E-02 -2.3372 0.67224E+00 -0.1725 6 HS- 0.42024E-07 -7.3765 0.28230E-07 -7.5493 0.67175E+00 -0.1728 7 H4SiO4 0.64590E-03 -3.1898 0.64590E-03 -3.1898 0.10000E+01 0.0000 8 Al+++ 0.84778E-10 -10.0717 0.23644E-11 -11.6263 0.27889E-01 -1.5546 9 Ca++ 0.49491E-03 -3.3055 0.98242E-04 -4.0077 0.19851E+00 -0.7022 10 Mg++ 0.40287E-04 -4.3948 0.79356E-05 -5.1004 0.19698E+00 -0.7056 11 Fe++ 0.37448E-06 -6.4266 0.73859E-07 -7.1316 0.19723E+00 -0.7050 12 K+ 0.11631E-01 -1.9344 0.77948E-02 -2.1082 0.67014E+00 -0.1738 13 Na+ 0.37627E+00 -0.4245 0.25145E+00 -0.5995 0.66829E+00 -0.1750 14 Mn++ 0.74960E-05 -5.1252 0.14803E-05 -5.8297 0.19748E+00 -0.7045 15 Zn++ 0.93921E-07 -7.0272 0.18524E-07 -7.7323 0.19723E+00 -0.7050 16 Cu+ 0.71628E-14 -14.1449 0.47867E-14 -14.3200 0.66828E+00 -0.1750 17 Pb++ 0.45628E-09 -9.3408 0.91263E-10 -10.0397 0.20002E+00 -0.6989 18 Ag+ 0.16207E-13 -13.7903 0.10852E-13 -13.9645 0.66960E+00 -0.1742 19 Au+ 0.11983E-25 -25.9214 0.80342E-26 -26.0951 0.67049E+00 -0.1736 20 Ba++ 0.95579E-06 -6.0196 0.19230E-06 -6.7160 0.20120E+00 -0.6964 21 F- 0.39488E-03 -3.4035 0.26794E-03 -3.5720 0.67852E+00 -0.1684 22 H2AsO3- 0.48335E-08 -8.3157 0.34340E-08 -8.4642 0.71046E+00 -0.1485 24 HSiO3- 0.55460E-07 -7.2560 0.37259E-07 -7.4288 0.67181E+00 -0.1728 25 Ca(HSiO3)+ 0.74723E-10 -10.1265 0.50101E-10 -10.3002 0.67049E+00 -0.1736 27 NaHSiO3,aq 0.19658E-06 -6.7065 0.19658E-06 -6.7065 0.10000E+01 0.0000 32 AgCl2- 0.44171E-10 -10.3549 0.29675E-10 -10.5276 0.67181E+00 -0.1728 38 Ag(HS),aq 0.10450E-08 -8.9809 0.10450E-08 -8.9809 0.10000E+01 0.0000 40 AlO+ 0.89772E-10 -10.0469 0.60191E-10 -10.2205 0.67049E+00 -0.1736 41 AlOH+2 0.79555E-10 -10.0993 0.15737E-10 -10.8031 0.19781E+00 -0.7037 42 HAlO2,aq 0.27480E-09 -9.5610 0.27480E-09 -9.5610 0.10000E+01 0.0000 43 AlO2- 0.27310E-10 -10.5637 0.18479E-10 -10.7333 0.67662E+00 -0.1697 44 AsO2- 0.48358E-08 -8.3155 0.32488E-08 -8.4883 0.67181E+00 -0.1728 45 HAsO2,aq 0.15153E-04 -4.8195 0.15153E-04 -4.8195 0.10000E+01 0.0000 46 H3AsO3,aq 0.18058E-04 -4.7433 0.18058E-04 -4.7433 0.10000E+01 0.0000 63 Ba(HCO3)+ 0.31592E-07 -7.5004 0.21242E-07 -7.6728 0.67237E+00 -0.1724 64 BaCl+ 0.54030E-07 -7.2674 0.36226E-07 -7.4410 0.67049E+00 -0.1736 65 BaF+ 0.93206E-10 -10.0306 0.62493E-10 -10.2042 0.67049E+00 -0.1736 66 CH4,aq 0.16157E-10 -10.7916 0.15087E-10 -10.8214 0.93377E+00 -0.0298 72 CO2,aq 0.82815E-01 -1.0819 0.77330E-01 -1.1117 0.93377E+00 -0.0298 73 CO3-2 0.19980E-06 -6.6994 0.40778E-07 -7.3896 0.20409E+00 -0.6902 74 CaCO3,aq 0.21396E-07 -7.6697 0.21396E-07 -7.6697 0.10000E+01 0.0000 75 Ca(HCO3)+ 0.10127E-04 -4.9945 0.67900E-05 -5.1681 0.67049E+00 -0.1736 76 CaCl+ 0.32669E-04 -4.4859 0.21904E-04 -4.6595 0.67049E+00 -0.1736 77 CaCl2,aq 0.12576E-05 -5.9005 0.12576E-05 -5.9005 0.10000E+01 0.0000 78 CaF+ 0.30771E-06 -6.5119 0.20632E-06 -6.6855 0.67049E+00 -0.1736 79 CaOH+ 0.80163E-10 -10.0960 0.53748E-10 -10.2696 0.67049E+00 -0.1736 80 CaSO4,aq 0.17664E-06 -6.7529 0.17664E-06 -6.7529 0.10000E+01 0.0000 81 HCl,aq 0.86034E-06 -6.0653 0.86034E-06 -6.0653 0.10000E+01 0.0000 91 CuCl2- 0.53660E-10 -10.2704 0.36049E-10 -10.4431 0.67181E+00 -0.1728 98 HF,aq 0.12088E-04 -4.9176 0.12088E-04 -4.9176 0.10000E+01 0.0000 99 HF2- 0.12941E-08 -8.8880 0.86942E-09 -9.0608 0.67181E+00 -0.1728 101 FeCl+ 0.26633E-07 -7.5746 0.17857E-07 -7.7482 0.67049E+00 -0.1736 104 FeF+ 0.96188E-09 -9.0169 0.64493E-09 -9.1905 0.67049E+00 -0.1736 107 FeOH+ 0.68457E-10 -10.1646 0.45899E-10 -10.3382 0.67049E+00 -0.1736 113 H2,aq 0.25993E-09 -9.5851 0.24272E-09 -9.6149 0.93377E+00 -0.0298 114 KCl,aq 0.15554E-04 -4.8081 0.15554E-04 -4.8081 0.10000E+01 0.0000 116 KOH,aq 0.59114E-10 -10.2283 0.59114E-10 -10.2283 0.10000E+01 0.0000 117 KSO4- 0.11862E-05 -5.9258 0.79692E-06 -6.0986 0.67181E+00 -0.1728 118 MgCO3,aq 0.51379E-09 -9.2892 0.51379E-09 -9.2892 0.10000E+01 0.0000 119 Mg(HCO3)+ 0.82589E-06 -6.0831 0.55375E-06 -6.2567 0.67049E+00 -0.1736 120 MgCl+ 0.28047E-05 -5.5521 0.18805E-05 -5.7257 0.67049E+00 -0.1736 121 MgF+ 0.98779E-07 -7.0053 0.66230E-07 -7.1789 0.67049E+00 -0.1736 122 MgOH+ 0.46521E-10 -10.3324 0.31192E-10 -10.5060 0.67049E+00 -0.1736 124 MnF+ 0.59247E-08 -8.2273 0.39724E-08 -8.4009 0.67049E+00 -0.1736 126 MnOH+ 0.10663E-09 -9.9721 0.71494E-10 -10.1457 0.67049E+00 -0.1736 131 MnCl+ 0.13305E-05 -5.8760 0.89211E-06 -6.0496 0.67049E+00 -0.1736 132 MnSO4,aq 0.22246E-08 -8.6527 0.22246E-08 -8.6527 0.10000E+01 0.0000 133 NaCl,aq 0.14201E-01 -1.8477 0.14201E-01 -1.8477 0.10000E+01 0.0000 134 NaF,aq 0.97898E-05 -5.0092 0.97898E-05 -5.0092 0.10000E+01 0.0000 135 NaOH,aq 0.23139E-08 -8.6357 0.23139E-08 -8.6357 0.10000E+01 0.0000 137 OH- 0.22779E-07 -7.6425 0.15413E-07 -7.8121 0.67662E+00 -0.1697 140 PbCl+ 0.13295E-08 -8.8763 0.89143E-09 -9.0499 0.67049E+00 -0.1736 141 PbCl2,aq 0.96774E-09 -9.0142 0.96774E-09 -9.0142 0.10000E+01 0.0000 142 PbCl3- 0.15410E-09 -9.8122 0.10353E-09 -9.9849 0.67181E+00 -0.1728 143 PbCl4-2 0.39437E-10 -10.4041 0.80489E-11 -11.0943 0.20409E+00 -0.6902 150 H2S,aq 0.13996E-05 -5.8540 0.13069E-05 -5.8837 0.93377E+00 -0.0298 159 HSO4- 0.62451E-07 -7.2045 0.42101E-07 -7.3757 0.67414E+00 -0.1713 173 ZnCl+ 0.13642E-06 -6.8651 0.91468E-07 -7.0387 0.67049E+00 -0.1736 174 ZnCl2,aq 0.14219E-07 -7.8471 0.14219E-07 -7.8471 0.10000E+01 0.0000 175 ZnCl3- 0.10769E-08 -8.9678 0.72347E-09 -9.1406 0.67181E+00 -0.1728 176 ZnF+ 0.14180E-09 -9.8483 0.95076E-10 -10.0219 0.67049E+00 -0.1736 178 ZnOH+ 0.14495E-08 -8.8388 0.97185E-09 -9.0124 0.67049E+00 -0.1736 Charge balance for all species = -.3321E-04 Component Molality Aq.molality ppm log[A(N)/A(H+)**Z] (total) 1 H+ 0.2256661E-04 0.8288439E-01 0.8129588E+02 0.0000 2 H2O 0.1000000E+01 0.5542542E+02 0.9716539E+06 0.0000 3 Cl- 0.3817556E+00 0.3960124E+00 0.1366227E+05 4.2122 4 SO4-- 0.4691070E-04 0.4833816E-04 0.4518570E+01 4.5897 5 HCO3- 0.6843957E-02 0.8966986E-01 0.5324268E+04 2.4660 6 HS- 0.4202396E-07 0.1442785E-05 0.4643261E-01 -2.7462 7 H4SiO4 0.6458988E-03 0.6461509E-03 0.6043493E+02 -3.1898 8 Al+++ 0.8477779E-10 0.5562186E-09 0.1460403E-04 2.7831 9 Ca++ 0.4949094E-03 0.5394684E-03 0.2103939E+02 5.5986 10 Mg++ 0.4028718E-04 0.4401708E-04 0.1041365E+01 4.5058 11 Fe++ 0.3744794E-06 0.4021432E-06 0.2185454E-01 2.4747 12 K+ 0.1163149E-01 0.1164824E-01 0.4432209E+03 2.6949 13 Na+ 0.3762661E+00 0.3904769E+00 0.8735577E+04 4.2036 14 Mn++ 0.7496045E-05 0.8834843E-05 0.4723161E+00 3.7766 15 Zn++ 0.9392055E-07 0.2472282E-06 0.1572670E-01 1.8740 16 Cu+ 0.7162762E-14 0.6579009E-10 0.4067886E-05 -9.5168 17 Pb++ 0.4562778E-09 0.2952331E-08 0.5952440E-03 -0.4334 18 Ag+ 0.1620686E-13 0.1099876E-08 0.1154530E-03 -9.1614 19 Au+ 0.1198263E-25 0.1709450E-12 0.3276506E-07 -21.2919 20 Ba++ 0.9557869E-06 0.1041512E-05 0.1391946E+00 2.8903 21 F- 0.3948832E-03 0.4171775E-03 0.7712405E+01 1.2312 22 H2AsO3- 0.4833527E-08 0.3322055E-04 0.4038820E+01 -3.6611 Component Tot moles Aq. moles Solid moles Gas moles 1 H+ 0.3234352E+00 0.3234483E+00 -.1317622E-04 0.0000000E+00 2 H2O 0.2162918E+03 0.2162924E+03 -.5780104E-03 0.0000000E+00 3 Cl- 0.1545400E+01 0.1545400E+01 0.0000000E+00 0.0000000E+00 4 SO4-- 0.1886393E-03 0.1886350E-03 0.4247005E-08 0.0000000E+00 5 HCO3- 0.3499280E+00 0.3499280E+00 0.0000000E+00 0.0000000E+00 6 HS- 0.1403031E-04 0.5630328E-05 0.8399982E-05 0.0000000E+00 7 H4SiO4 0.2811741E-02 0.2521542E-02 0.2901993E-03 0.0000000E+00 8 Al+++ 0.2407279E-05 0.2170590E-08 0.2405108E-05 0.0000000E+00 9 Ca++ 0.2105223E-02 0.2105223E-02 0.0000000E+00 0.0000000E+00 10 Mg++ 0.1717724E-03 0.1717724E-03 0.0000000E+00 0.0000000E+00 11 Fe++ 0.1603305E-05 0.1569325E-05 0.3398008E-07 0.0000000E+00 12 K+ 0.4545612E-01 0.4545612E-01 0.0000000E+00 0.0000000E+00 13 Na+ 0.1523798E+01 0.1523798E+01 0.0000000E+00 0.0000000E+00 14 Mn++ 0.3447712E-04 0.3447712E-04 0.0000000E+00 0.0000000E+00 15 Zn++ 0.7468176E-05 0.9647842E-06 0.6503392E-05 0.0000000E+00 16 Cu+ 0.1701571E-06 0.2567395E-09 0.1699004E-06 0.0000000E+00 17 Pb++ 0.1565021E-05 0.1152119E-07 0.1553499E-05 0.0000000E+00 18 Ag+ 0.4271281E-06 0.4292159E-08 0.4228359E-06 0.0000000E+00 19 Au+ 0.3110961E-11 0.6670964E-12 0.2443864E-11 0.0000000E+00 20 Ba++ 0.4064400E-05 0.4064400E-05 0.0000000E+00 0.0000000E+00 21 F- 0.1630400E-02 0.1627995E-02 0.2405108E-05 0.0000000E+00 22 H2AsO3- 0.1296400E-03 0.1296400E-03 0.0000000E+00 0.0000000E+00 Chg. balance for solid moles: 0.8470E-21 Mass of aqueous solution: 0.401025E+04 g Temperature = 71.50 C Pressure = 500.00 bar Mixer frac. = 2.9000000 Log Log Vol Gas or mineral Moles Moles Grams Grams Wt.% (cm3) quartz 0.2890E-03 -3.539 0.1736E-01 -1.760 93.05 0.6557E-02 argentite 0.2114E-06 -6.675 0.5239E-04 -4.281 0.2808 0.7357E-05 bornite 0.3398E-07 -7.469 0.1705E-04 -4.768 0.9138E-01 0.3355E-05 topaz 0.1203E-05 -5.920 0.2213E-03 -3.655 1.186 0.6196E-04 galena 0.1553E-05 -5.809 0.3717E-03 -3.430 1.992 0.4892E-04 gold,native 0.2444E-11 -11.612 0.4814E-09 -9.318 0.2580E-05 0.2496E-10 silver,native 0.1594E-11 -11.798 0.1719E-09 -9.765 0.9213E-06 0.1637E-10 sphalerite 0.6503E-05 -5.187 0.6336E-03 -3.198 3.396 0.1550E-03 Partial press. Fugacity coef Log fugacity Gas or Mineral Mole fraction or activity Activity coef Log activity quartz 0.1000E+01 0.1000E+01 1.0000 0.000 argentite 0.1000E+01 0.1000E+01 1.0000 0.000 bornite 0.1000E+01 0.1000E+01 1.0000 0.000 topaz 0.1000E+01 0.1000E+01 1.0000 0.000 galena 0.1000E+01 0.1000E+01 1.0000 0.000 gold,native 0.6053E+00 0.2788E+00 0.4606 -0.555 silver,native 0.3947E+00 0.4156E-01 0.1053 -1.381 sphalerite 0.1000E+01 0.1000E+01 1.0000 0.000 Total fraction of mixing solution added: 2.9000000 Solid products produced: Mass = 0.018659 g Volume = 0.006834 cm3 WARNING: mineral volume may be in error because some mineral densities were not supplied in SOLTHERM. See mineral list in file Skip_Species.txt. Gas composition at saturation ( 3 iterations) ------------------------------------------------- Temperature: 71.5048 deg.C Sat. pressure: 12.4861 bar Gas Mole fraction phi Fugacity Partial P(bar) H2O,gas 0.3787E-01 0.9278 0.4387E+00 0.4729E+00 CO2,gas 0.9621E+00 0.9534 0.1145E+02 0.1201E+02 CH4,gas 0.3323E-08 1.0091 0.4186E-07 0.4149E-07 H2,gas 0.4219E-07 1.0072 0.5306E-06 0.5268E-06 H2S,gas 0.4005E-05 0.9424 0.4713E-04 0.5001E-04 S2,gas 0.2541E-18 1.0000 0.3172E-17 0.3172E-17 CO,gas 0.1004E-09 1.0000 0.1254E-08 0.1254E-08 SO3,gas 0.9352E-34 1.0000 0.1168E-32 0.1168E-32 O2,gas 0.1287E-57 1.0000 0.1607E-56 0.1607E-56 SO2,gas 0.2015E-15 1.0000 0.2516E-14 0.2516E-14 HF,gas 0.8641E-09 1.0000 0.1079E-07 0.1079E-07 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 148 quartz -3.18 -3.18 0.00 0.000 0.00000E+00 197 argentite -30.68 -30.68 0.00 0.000 0.00000E+00 206 bornite -94.80 -94.80 0.00 0.000 0.00000E+00 226 topaz -14.37 -14.37 0.00 0.000 -0.28015E-11 261 galena -12.79 -12.79 0.00 0.000 -0.28015E-11 262 gold,native -20.46 -20.46 0.00 0.000 0.00000E+00 263 silver,native -7.50 -7.50 0.00 0.000 -0.14007E-11 273 sphalerite -10.48 -10.48 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 1 H2O,gas 3.05 -0.01 -3.06 -3.057 0.48208E+04 -0.358 2 CO2,gas -5.49 -7.13 -1.64 -0.547 0.25864E+04 1.059 3 CH4,gas 5.20 -4.88 -10.08 -2.519 0.15892E+05 -7.378 4 H2,gas 9.54 0.56 -8.97 -5.128 0.14153E+05 -6.275 5 H2S,gas -5.33 -12.35 -7.03 -3.513 0.11080E+05 -4.327 6 S2,gas -5.63 -25.83 -20.20 -3.107 0.31853E+05 -17.499 7 CO,gas 5.03 -6.57 -11.60 -3.569 0.18295E+05 -8.902 8 SO3,gas 21.01 -14.62 -35.63 -8.908 0.56194E+05 -32.933 9 O2,gas 58.36 -1.14 -59.49 -39.662 0.93825E+05 -56.794 10 SO2,gas 3.25 -14.05 -17.30 -4.613 0.27281E+05 -14.599 11 HF,gas 2.29 -8.38 -10.67 -5.333 0.16821E+05 -7.967 12 HCl,gas 4.33 -5.39 -9.73 -4.863 0.15338E+05 -9.725 17 albite-high 2.18 -2.56 -4.74 -0.364 0.74701E+04 18 albite 0.93 -2.56 -3.49 -0.269 0.55114E+04 22 analcite 4.86 0.61 -4.24 -0.472 0.66944E+04 26 anhydrite -4.54 -9.02 -4.49 -2.244 0.70778E+04 34 aragonite 1.53 -1.54 -3.07 -1.025 0.48479E+04 36 calcite 1.40 -1.54 -2.94 -0.979 0.46318E+04 53 coesite -2.53 -3.18 -0.64 -0.214 0.10147E+04 60 cristobalite -2.65 -3.18 -0.53 -0.176 0.83286E+03 65 diaspore 4.26 2.77 -1.49 -0.248 0.23442E+04 66 diamond -3.59 -6.00 -2.41 -0.690 0.38064E+04 83 gibbsite 5.43 2.77 -2.66 -0.380 0.42004E+04 87 graphite -4.04 -6.00 -1.96 -0.561 0.30942E+04 90 halite 1.67 -1.19 -2.86 -1.429 0.45078E+04 96 jadeite 5.60 0.62 -4.98 -0.498 0.78533E+04 99 kaolinite 0.85 -0.82 -1.67 -0.152 0.26371E+04 107 magnesite 1.45 -2.63 -4.08 -1.361 0.64393E+04 117 microcline -1.48 -4.07 -2.59 -0.199 0.40833E+04 121 muscovite 6.32 1.47 -4.85 -0.285 0.76466E+04 143 pyrite -22.08 -22.79 -0.71 -0.168 0.11261E+04 145 pyrrhotiteFe0.875 -5.85 -10.26 -4.41 -1.621 0.69503E+04 147 pyrophyllite -4.12 -7.17 -3.05 -0.191 0.48084E+04 153 rhodochrosite -0.52 -3.36 -2.84 -0.947 0.44784E+04 155 sanidine -0.17 -4.07 -3.90 -0.300 0.61498E+04 157 siderite -2.11 -4.67 -2.55 -0.851 0.40283E+04 171 sulfur -9.43 -12.91 -3.48 -1.072 0.54926E+04 172 sylvite 1.31 -2.70 -4.00 -2.002 0.63158E+04 180 topaz-H 7.28 2.36 -4.92 -0.447 0.77542E+04 181 tridymite -2.73 -3.18 -0.45 -0.148 0.70204E+03 198 arsenic -7.92 -12.41 -4.48 -1.157 0.70698E+04 208 chalcedony -2.98 -3.18 -0.20 -0.068 0.31992E+03 209 chalcocite -30.12 -31.39 -1.26 -0.316 0.19934E+04 211 covellite -21.34 -22.15 -0.81 -0.309 0.12793E+04 212 dawsonite 2.83 -0.17 -2.99 -0.374 0.47213E+04 230 gypsum -4.47 -9.04 -4.57 -1.142 0.72028E+04 246 acanthite -30.62 -30.68 -0.05 -0.014 0.86528E+02 252 barite -9.20 -11.73 -2.53 -1.264 0.39881E+04 253 boehmite 6.00 2.77 -3.22 -0.537 0.50842E+04 254 cerussite -2.74 -7.57 -4.84 -1.612 0.76277E+04 255 chalcopyrite -30.01 -32.03 -2.02 -0.376 0.31840E+04 260 fluorite -9.56 -11.15 -1.59 -0.531 0.25107E+04 270 silica-amorphous -2.12 -3.18 -1.06 -0.353 0.16683E+04 274 wurtzite -8.49 -10.48 -1.99 -0.663 0.31351E+04 Calculations done for 71.5048 Deg. C; 500.0000 bar Mixer fraction: 2.9000000 Temperature Stoc.ionic strength Heat per mole Actual solution: 71.505 .44608E+00 1.463 Mixing solution: 25.000 .50000E-10 0.646 Fract. of mixing solution added: 0.100000 BITMOL = 0.5551E+01 OLDMOL = 0.2180E+03 New heat: 1.443 New temperature: 70.353 New mixer fraction: 3.0000000 Resulting temperature: 70.353Deg. C Solids and gases carried Charge balance check after fractionation or titration: TBAL = -.1296E-03 ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ Test file for CHIM-XPT. Mixing of cold water into metal bearing water starting at 199.97 C. Illustrates fluid-fluid mixing. CHIMRUN demo-3 ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ Number of loops used = 7 Loop limit = 70 Temperature = 70.35 C Pressure = 500.00 bar Mixer fraction = 3.0000000 Water: Moles liquid = 0.2222E+03 kg liquid = 0.4002E+01 Moles total = 0.2218E+03 kg total = 0.3997E+01 Activity = 0.9872 Stoichiometric ionic strength = .4349184E+00 Osmotic coef. = 0.9255 True ionic strength = .3803261E+00 Chg. balance for total moles = -.1296E-03 Max. difference allowed = 0.1545E-03 Log Log Log Species(n) Molality Molality Activity Activity Gamma Gamma 1 H+ 0.22569E-04 -4.6465 0.15781E-04 -4.8019 0.69923E+00 -0.1554 2 H2O 0.98721E+00 -0.0056 0.98721E+00 -0.0056 3 Cl- 0.37261E+00 -0.4287 0.25104E+00 -0.6003 0.67373E+00 -0.1715 4 SO4-- 0.45767E-04 -4.3394 0.95297E-05 -5.0209 0.20822E+00 -0.6815 5 HCO3- 0.66736E-02 -2.1756 0.44988E-02 -2.3469 0.67412E+00 -0.1713 6 HS- 0.40165E-07 -7.3962 0.27058E-07 -7.5677 0.67367E+00 -0.1716 7 H4SiO4 0.63070E-03 -3.2002 0.63070E-03 -3.2002 0.10000E+01 0.0000 8 Al+++ 0.91765E-10 -10.0373 0.26464E-11 -11.5774 0.28838E-01 -1.5400 9 Ca++ 0.48365E-03 -3.3155 0.97468E-04 -4.0111 0.20153E+00 -0.6957 10 Mg++ 0.39355E-04 -4.4050 0.78718E-05 -5.1039 0.20002E+00 -0.6989 11 Fe++ 0.36570E-06 -6.4369 0.73239E-07 -7.1353 0.20027E+00 -0.6984 12 K+ 0.11342E-01 -1.9453 0.76219E-02 -2.1179 0.67203E+00 -0.1726 13 Na+ 0.36726E+00 -0.4350 0.24615E+00 -0.6088 0.67024E+00 -0.1738 14 Mn++ 0.73546E-05 -5.1334 0.14747E-05 -5.8313 0.20051E+00 -0.6979 15 Zn++ 0.93702E-07 -7.0283 0.18766E-07 -7.7266 0.20027E+00 -0.6984 16 Cu+ 0.64687E-14 -14.1892 0.43355E-14 -14.3630 0.67023E+00 -0.1738 17 Pb++ 0.43156E-09 -9.3650 0.87620E-10 -10.0574 0.20303E+00 -0.6924 18 Ag+ 0.14553E-13 -13.8370 0.97725E-14 -14.0100 0.67150E+00 -0.1730 19 Au+ 0.99201E-26 -26.0035 0.66699E-26 -26.1759 0.67237E+00 -0.1724 20 Ba++ 0.93483E-06 -6.0293 0.19090E-06 -6.7192 0.20421E+00 -0.6899 21 F- 0.38552E-03 -3.4140 0.26233E-03 -3.5812 0.68045E+00 -0.1672 22 H2AsO3- 0.45135E-08 -8.3455 0.32129E-08 -8.4931 0.71184E+00 -0.1476 24 HSiO3- 0.52625E-07 -7.2788 0.35455E-07 -7.4503 0.67373E+00 -0.1715 25 Ca(HSiO3)+ 0.69337E-10 -10.1590 0.46620E-10 -10.3314 0.67237E+00 -0.1724 27 NaHSiO3,aq 0.18658E-06 -6.7291 0.18658E-06 -6.7291 0.10000E+01 0.0000 32 AgCl2- 0.38764E-10 -10.4116 0.26117E-10 -10.5831 0.67373E+00 -0.1715 38 Ag(HS),aq 0.10087E-08 -8.9963 0.10087E-08 -8.9963 0.10000E+01 0.0000 40 AlO+ 0.88833E-10 -10.0514 0.59728E-10 -10.2238 0.67237E+00 -0.1724 41 AlOH+2 0.82129E-10 -10.0855 0.16495E-10 -10.7827 0.20084E+00 -0.6971 42 HAlO2,aq 0.25917E-09 -9.5864 0.25917E-09 -9.5864 0.10000E+01 0.0000 43 AlO2- 0.24758E-10 -10.6063 0.16800E-10 -10.7747 0.67856E+00 -0.1684 44 AsO2- 0.45918E-08 -8.3380 0.30936E-08 -8.5095 0.67373E+00 -0.1715 45 HAsO2,aq 0.14837E-04 -4.8286 0.14837E-04 -4.8286 0.10000E+01 0.0000 46 H3AsO3,aq 0.17544E-04 -4.7559 0.17544E-04 -4.7559 0.10000E+01 0.0000 63 Ba(HCO3)+ 0.29498E-07 -7.5302 0.19888E-07 -7.7014 0.67421E+00 -0.1712 64 BaCl+ 0.51065E-07 -7.2919 0.34335E-07 -7.4643 0.67237E+00 -0.1724 65 BaF+ 0.88508E-10 -10.0530 0.59510E-10 -10.2254 0.67237E+00 -0.1724 66 CH4,aq 0.15365E-10 -10.8135 0.14363E-10 -10.8428 0.93481E+00 -0.0293 72 CO2,aq 0.80745E-01 -1.0929 0.75482E-01 -1.1222 0.93481E+00 -0.0293 73 CO3-2 0.19115E-06 -6.7186 0.39588E-07 -7.4024 0.20711E+00 -0.6838 74 CaCO3,aq 0.20063E-07 -7.6976 0.20063E-07 -7.6976 0.10000E+01 0.0000 75 Ca(HCO3)+ 0.96455E-05 -5.0157 0.64853E-05 -5.1881 0.67237E+00 -0.1724 76 CaCl+ 0.31033E-04 -4.5082 0.20866E-04 -4.6806 0.67237E+00 -0.1724 77 CaCl2,aq 0.11805E-05 -5.9279 0.11805E-05 -5.9279 0.10000E+01 0.0000 78 CaF+ 0.29241E-06 -6.5340 0.19661E-06 -6.7064 0.67237E+00 -0.1724 79 CaOH+ 0.72417E-10 -10.1402 0.48691E-10 -10.3125 0.67237E+00 -0.1724 80 CaSO4,aq 0.17095E-06 -6.7671 0.17095E-06 -6.7671 0.10000E+01 0.0000 81 HCl,aq 0.84441E-06 -6.0734 0.84441E-06 -6.0734 0.10000E+01 0.0000 91 CuCl2- 0.46939E-10 -10.3285 0.31625E-10 -10.5000 0.67373E+00 -0.1715 98 HF,aq 0.11582E-04 -4.9362 0.11582E-04 -4.9362 0.10000E+01 0.0000 99 HF2- 0.12053E-08 -8.9189 0.81207E-09 -9.0904 0.67373E+00 -0.1715 101 FeCl+ 0.25409E-07 -7.5950 0.17084E-07 -7.7674 0.67237E+00 -0.1724 104 FeF+ 0.92042E-09 -9.0360 0.61886E-09 -9.2084 0.67237E+00 -0.1724 107 FeOH+ 0.63626E-10 -10.1964 0.42780E-10 -10.3688 0.67237E+00 -0.1724 113 H2,aq 0.23991E-09 -9.6199 0.22427E-09 -9.6492 0.93481E+00 -0.0293 114 KCl,aq 0.14484E-04 -4.8391 0.14484E-04 -4.8391 0.10000E+01 0.0000 116 KOH,aq 0.54028E-10 -10.2674 0.54028E-10 -10.2674 0.10000E+01 0.0000 117 KSO4- 0.11307E-05 -5.9466 0.76180E-06 -6.1182 0.67373E+00 -0.1715 118 MgCO3,aq 0.48585E-09 -9.3135 0.48585E-09 -9.3135 0.10000E+01 0.0000 119 Mg(HCO3)+ 0.78599E-06 -6.1046 0.52848E-06 -6.2770 0.67237E+00 -0.1724 120 MgCl+ 0.26814E-05 -5.5716 0.18029E-05 -5.7440 0.67237E+00 -0.1724 121 MgF+ 0.94161E-07 -7.0261 0.63311E-07 -7.1985 0.67237E+00 -0.1724 122 MgOH+ 0.42533E-10 -10.3713 0.28598E-10 -10.5437 0.67237E+00 -0.1724 124 MnF+ 0.56812E-08 -8.2456 0.38199E-08 -8.4180 0.67237E+00 -0.1724 126 MnOH+ 0.98750E-10 -10.0055 0.66396E-10 -10.1779 0.67237E+00 -0.1724 131 MnCl+ 0.12515E-05 -5.9026 0.84150E-06 -6.0749 0.67237E+00 -0.1724 132 MnSO4,aq 0.21519E-08 -8.6672 0.21519E-08 -8.6672 0.10000E+01 0.0000 133 NaCl,aq 0.13453E-01 -1.8712 0.13453E-01 -1.8712 0.10000E+01 0.0000 134 NaF,aq 0.92578E-05 -5.0335 0.92578E-05 -5.0335 0.10000E+01 0.0000 135 NaOH,aq 0.21321E-08 -8.6712 0.21321E-08 -8.6712 0.10000E+01 0.0000 137 OH- 0.21461E-07 -7.6684 0.14562E-07 -7.8368 0.67856E+00 -0.1684 140 PbCl+ 0.12283E-08 -8.9107 0.82587E-09 -9.0831 0.67237E+00 -0.1724 141 PbCl2,aq 0.86952E-09 -9.0607 0.86952E-09 -9.0607 0.10000E+01 0.0000 142 PbCl3- 0.13468E-09 -9.8707 0.90738E-10 -10.0422 0.67373E+00 -0.1715 143 PbCl4-2 0.33541E-10 -10.4744 0.69466E-11 -11.1582 0.20711E+00 -0.6838 150 H2S,aq 0.13604E-05 -5.8663 0.12717E-05 -5.8956 0.93481E+00 -0.0293 159 HSO4- 0.59539E-07 -7.2252 0.40247E-07 -7.3953 0.67597E+00 -0.1701 173 ZnCl+ 0.12695E-06 -6.8964 0.85359E-07 -7.0688 0.67237E+00 -0.1724 174 ZnCl2,aq 0.13061E-07 -7.8840 0.13061E-07 -7.8840 0.10000E+01 0.0000 175 ZnCl3- 0.97834E-09 -9.0095 0.65914E-09 -9.1810 0.67373E+00 -0.1715 176 ZnF+ 0.13832E-09 -9.8591 0.93005E-10 -10.0315 0.67237E+00 -0.1724 178 ZnOH+ 0.13400E-08 -8.8729 0.90094E-09 -9.0453 0.67237E+00 -0.1724 Charge balance for all species = -.3238E-04 Component Molality Aq.molality ppm log[A(N)/A(H+)**Z] (total) 1 H+ 0.2256935E-04 0.8081353E-01 0.7931800E+02 0.0000 2 H2O 0.1000000E+01 0.5542749E+02 0.9723434E+06 0.0000 3 Cl- 0.3726123E+00 0.3861180E+00 0.1332987E+05 4.2016 4 SO4-- 0.4576715E-04 0.4713044E-04 0.4408636E+01 4.5828 5 HCO3- 0.6673583E-02 0.8742947E-01 0.5194731E+04 2.4550 6 HS- 0.4016482E-07 0.1401669E-05 0.4513973E-01 -2.7658 7 H4SiO4 0.6307038E-03 0.6309431E-03 0.5905221E+02 -3.2002 8 Al+++ 0.9176508E-10 0.5466539E-09 0.1436255E-04 2.8282 9 Ca++ 0.4836471E-03 0.5259898E-03 0.2052751E+02 5.5926 10 Mg++ 0.3935525E-04 0.4291732E-04 0.1016029E+01 4.4998 11 Fe++ 0.3657017E-06 0.3920944E-06 0.2132276E-01 2.4685 12 K+ 0.1134159E-01 0.1135720E-01 0.4324376E+03 2.6839 13 Na+ 0.3672585E+00 0.3807208E+00 0.8523046E+04 4.1931 14 Mn++ 0.7354626E-05 0.8614105E-05 0.4608249E+00 3.7724 15 Zn++ 0.9370219E-07 0.2361723E-06 0.1503351E-01 1.8771 16 Cu+ 0.6468699E-14 0.5766236E-10 0.3567735E-05 -9.5611 17 Pb++ 0.4315628E-09 0.2702481E-08 0.5452359E-03 -0.4537 18 Ag+ 0.1455316E-13 0.1056754E-08 0.1110012E-03 -9.2081 19 Au+ 0.9920073E-26 0.1590923E-12 0.3051375E-07 -21.3740 20 Ba++ 0.9348290E-06 0.1015490E-05 0.1358081E+00 2.8845 21 F- 0.3855192E-03 0.4067543E-03 0.7524767E+01 1.2207 22 H2AsO3- 0.4513465E-08 0.3239054E-04 0.3940558E+01 -3.6912 Component Tot moles Aq. moles Solid moles Gas moles 1 H+ 0.3234352E+00 0.3234484E+00 -.1319647E-04 0.0000000E+00 2 H2O 0.2218426E+03 0.2218432E+03 -.5705161E-03 0.0000000E+00 3 Cl- 0.1545400E+01 0.1545400E+01 0.0000000E+00 0.0000000E+00 4 SO4-- 0.1886393E-03 0.1886350E-03 0.4247649E-08 0.0000000E+00 5 HCO3- 0.3499280E+00 0.3499280E+00 0.0000000E+00 0.0000000E+00 6 HS- 0.1403031E-04 0.5610045E-05 0.8420266E-05 0.0000000E+00 7 H4SiO4 0.2811741E-02 0.2525289E-02 0.2864521E-03 0.0000000E+00 8 Al+++ 0.2407279E-05 0.2187929E-08 0.2405091E-05 0.0000000E+00 9 Ca++ 0.2105223E-02 0.2105223E-02 0.0000000E+00 0.0000000E+00 10 Mg++ 0.1717724E-03 0.1717724E-03 0.0000000E+00 0.0000000E+00 11 Fe++ 0.1603305E-05 0.1569320E-05 0.3398527E-07 0.0000000E+00 12 K+ 0.4545612E-01 0.4545612E-01 0.0000000E+00 0.0000000E+00 13 Na+ 0.1523798E+01 0.1523798E+01 0.0000000E+00 0.0000000E+00 14 Mn++ 0.3447712E-04 0.3447712E-04 0.0000000E+00 0.0000000E+00 15 Zn++ 0.7468176E-05 0.9452569E-06 0.6522919E-05 0.0000000E+00 16 Cu+ 0.1701571E-06 0.2307880E-09 0.1699263E-06 0.0000000E+00 17 Pb++ 0.1565021E-05 0.1081642E-07 0.1554204E-05 0.0000000E+00 18 Ag+ 0.4271281E-06 0.4229556E-08 0.4228985E-06 0.0000000E+00 19 Au+ 0.3110961E-11 0.6367515E-12 0.2474209E-11 0.0000000E+00 20 Ba++ 0.4064400E-05 0.4064400E-05 0.0000000E+00 0.0000000E+00 21 F- 0.1630400E-02 0.1627995E-02 0.2405091E-05 0.0000000E+00 22 H2AsO3- 0.1296400E-03 0.1296400E-03 0.0000000E+00 0.0000000E+00 Chg. balance for solid moles: -.2541E-20 Mass of aqueous solution: 0.411025E+04 g Temperature = 70.35 C Pressure = 500.00 bar Mixer frac. = 3.0000000 Log Log Vol Gas or mineral Moles Moles Grams Grams Wt.% (cm3) quartz 0.2852E-03 -3.545 0.1714E-01 -1.766 92.96 0.6472E-02 argentite 0.2114E-06 -6.675 0.5240E-04 -4.281 0.2842 0.7358E-05 bornite 0.3399E-07 -7.469 0.1705E-04 -4.768 0.9250E-01 0.3355E-05 topaz 0.1203E-05 -5.920 0.2213E-03 -3.655 1.200 0.6196E-04 galena 0.1554E-05 -5.808 0.3718E-03 -3.430 2.017 0.4894E-04 gold,native 0.2474E-11 -11.607 0.4873E-09 -9.312 0.2643E-05 0.2527E-10 silver,native 0.1604E-11 -11.795 0.1730E-09 -9.762 0.9383E-06 0.1647E-10 sphalerite 0.6523E-05 -5.186 0.6355E-03 -3.197 3.447 0.1554E-03 Partial press. Fugacity coef Log fugacity Gas or Mineral Mole fraction or activity Activity coef Log activity quartz 0.1000E+01 0.1000E+01 1.0000 0.000 argentite 0.1000E+01 0.1000E+01 1.0000 0.000 bornite 0.1000E+01 0.1000E+01 1.0000 0.000 topaz 0.1000E+01 0.1000E+01 1.0000 0.000 galena 0.1000E+01 0.1000E+01 1.0000 0.000 gold,native 0.6067E+00 0.2804E+00 0.4621 -0.552 silver,native 0.3933E+00 0.4066E-01 0.1034 -1.391 sphalerite 0.1000E+01 0.1000E+01 1.0000 0.000 Total fraction of mixing solution added: 3.0000000 Solid products produced: Mass = 0.018436 g Volume = 0.006749 cm3 WARNING: mineral volume may be in error because some mineral densities were not supplied in SOLTHERM. See mineral list in file Skip_Species.txt. Gas composition at saturation ( 3 iterations) ------------------------------------------------- Temperature: 70.3533 deg.C Sat. pressure: 11.9871 bar Gas Mole fraction phi Fugacity Partial P(bar) H2O,gas 0.3751E-01 0.9303 0.4183E+00 0.4496E+00 CO2,gas 0.9625E+00 0.9547 0.1101E+02 0.1154E+02 CH4,gas 0.3284E-08 1.0087 0.3971E-07 0.3936E-07 H2,gas 0.4075E-07 1.0069 0.4919E-06 0.4885E-06 H2S,gas 0.4001E-05 0.9442 0.4528E-04 0.4796E-04 S2,gas 0.2332E-18 1.0000 0.2796E-17 0.2796E-17 CO,gas 0.9327E-10 1.0000 0.1118E-08 0.1118E-08 SO3,gas 0.7304E-34 1.0000 0.8756E-33 0.8756E-33 O2,gas 0.8082E-58 1.0000 0.9688E-57 0.9688E-57 SO2,gas 0.1807E-15 1.0000 0.2166E-14 0.2166E-14 HF,gas 0.8173E-09 1.0000 0.9797E-08 0.9797E-08 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 148 quartz -3.19 -3.19 0.00 0.000 0.00000E+00 197 argentite -30.79 -30.79 0.00 0.000 0.55842E-11 206 bornite -95.09 -95.09 0.00 0.000 0.00000E+00 226 topaz -14.31 -14.31 0.00 0.000 0.27921E-11 261 galena -12.82 -12.82 0.00 0.000 0.27921E-11 262 gold,native -20.54 -20.54 0.00 0.000 0.00000E+00 263 silver,native -7.54 -7.54 0.00 0.000 0.00000E+00 273 sphalerite -10.49 -10.49 0.00 0.000 0.00000E+00 The following gases and minerals are presently EXCLUDED from matrix (Gases and minerals with log(Q/K) less than -5 are not listed below) Gas or Mineral Log K Log Q Log(Q/K) Log(Q/K)/S Affinity Log Fugacity 1 H2O,gas 3.07 -0.01 -3.08 -3.078 0.48373E+04 -0.379 2 CO2,gas -5.49 -7.14 -1.66 -0.552 0.26045E+04 1.042 3 CH4,gas 5.20 -4.90 -10.10 -2.525 0.15876E+05 -7.401 4 H2,gas 9.57 0.56 -9.01 -5.147 0.14158E+05 -6.308 5 H2S,gas -5.33 -12.37 -7.04 -3.522 0.11070E+05 -4.344 6 S2,gas -5.60 -25.86 -20.25 -3.116 0.31833E+05 -17.553 7 CO,gas 5.07 -6.58 -11.65 -3.585 0.18312E+05 -8.952 8 SO3,gas 21.14 -14.62 -35.76 -8.939 0.56203E+05 -33.058 9 O2,gas 58.59 -1.13 -59.71 -39.808 0.93857E+05 -57.014 10 SO2,gas 3.31 -14.06 -17.36 -4.630 0.27292E+05 -14.664 11 HF,gas 2.32 -8.38 -10.71 -5.354 0.16831E+05 -8.009 12 HCl,gas 4.37 -5.40 -9.77 -4.887 0.15362E+05 -9.774 17 albite-high 2.22 -2.56 -4.78 -0.368 0.75124E+04 18 albite 0.97 -2.56 -3.53 -0.272 0.55493E+04 22 analcite 4.91 0.63 -4.28 -0.476 0.67299E+04 26 anhydrite -4.52 -9.03 -4.51 -2.257 0.70955E+04 34 aragonite 1.55 -1.56 -3.11 -1.035 0.48806E+04 36 calcite 1.41 -1.56 -2.97 -0.989 0.46652E+04 53 coesite -2.54 -3.19 -0.65 -0.215 0.10141E+04 60 cristobalite -2.66 -3.19 -0.53 -0.177 0.83490E+03 65 diaspore 4.31 2.82 -1.49 -0.249 0.23471E+04 66 diamond -3.61 -6.02 -2.41 -0.689 0.37882E+04 83 gibbsite 5.48 2.81 -2.67 -0.381 0.41971E+04 87 graphite -4.06 -6.02 -1.96 -0.559 0.30771E+04 90 halite 1.67 -1.21 -2.88 -1.439 0.45232E+04 99 kaolinite 0.93 -0.75 -1.68 -0.152 0.26362E+04 107 magnesite 1.47 -2.65 -4.12 -1.374 0.64808E+04 117 microcline -1.45 -4.07 -2.61 -0.201 0.41054E+04 121 muscovite 6.45 1.57 -4.88 -0.287 0.76775E+04 143 pyrite -22.12 -22.83 -0.70 -0.166 0.11073E+04 145 pyrrhotiteFe0.875 -5.85 -10.28 -4.43 -1.629 0.69627E+04 147 pyrophyllite -4.06 -7.12 -3.06 -0.191 0.48160E+04 153 rhodochrosite -0.51 -3.38 -2.86 -0.955 0.45031E+04 155 sanidine -0.14 -4.07 -3.93 -0.302 0.61721E+04 157 siderite -2.10 -4.68 -2.58 -0.861 0.40590E+04 171 sulfur -9.45 -12.93 -3.48 -1.070 0.54672E+04 172 sylvite 1.30 -2.72 -4.02 -2.009 0.63167E+04 180 topaz-H 7.38 2.45 -4.94 -0.449 0.77576E+04 181 tridymite -2.74 -3.19 -0.45 -0.149 0.70293E+03 198 arsenic -7.95 -12.44 -4.49 -1.158 0.70520E+04 208 chalcedony -2.99 -3.19 -0.20 -0.068 0.31984E+03 209 chalcocite -30.23 -31.49 -1.26 -0.316 0.19879E+04 211 covellite -21.41 -22.21 -0.80 -0.306 0.12621E+04 212 dawsonite 2.87 -0.14 -3.01 -0.376 0.47245E+04 230 gypsum -4.46 -9.04 -4.58 -1.146 0.72034E+04 246 acanthite -30.73 -30.79 -0.05 -0.013 0.84092E+02 252 barite -9.21 -11.74 -2.53 -1.266 0.39814E+04 253 boehmite 6.06 2.82 -3.24 -0.540 0.50913E+04 254 cerussite -2.74 -7.60 -4.86 -1.621 0.76427E+04 255 chalcopyrite -30.08 -32.11 -2.03 -0.377 0.31852E+04 260 fluorite -9.56 -11.17 -1.61 -0.538 0.25383E+04 270 silica-amorphous -2.13 -3.19 -1.06 -0.354 0.16712E+04 274 wurtzite -8.50 -10.49 -1.99 -0.665 0.31351E+04 Calculations done for 70.3533 Deg. C; 500.0000 bar Mixer fraction: 3.0000000 Temperature Stoc.ionic strength Heat per mole Actual solution: 70.353 .43492E+00 1.443 Mixing solution: 25.000 .50000E-10 0.646 Fract. of mixing solution added: 0.100000 BITMOL = 0.5551E+01 OLDMOL = 0.2236E+03 New heat: 1.424 New temperature: 69.258 New mixer fraction: 3.1000000 Resulting temperature: 69.258Deg. C Solids and gases carried Charge balance check after fractionation or titration: TBAL = -.1296E-03 ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ Test file for CHIM-XPT. Mixing of cold water into metal bearing water starting at 199.97 C. Illustrates fluid-fluid mixing. CHIMRUN demo-3 ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ Number of loops used = 7 Loop limit = 70 Temperature = 69.26 C Pressure = 500.00 bar Mixer fraction = 3.1000000 Water: Moles liquid = 0.2277E+03 kg liquid = 0.4102E+01 Moles total = 0.2274E+03 kg total = 0.4097E+01 Activity = 0.9875 Stoichiometric ionic strength = .4243018E+00 Osmotic coef. = 0.9254 True ionic strength = .3714207E+00 Chg. balance for total moles = -.1296E-03 Max. difference allowed = 0.1545E-03 Log Log Log Species(n) Molality Molality Activity Activity Gamma Gamma 1 H+ 0.22561E-04 -4.6466 0.15818E-04 -4.8009 0.70110E+00 -0.1542 2 H2O 0.98752E+00 -0.0055 0.98752E+00 -0.0055 3 Cl- 0.36389E+00 -0.4390 0.24583E+00 -0.6094 0.67557E+00 -0.1703 4 SO4-- 0.44678E-04 -4.3499 0.94334E-05 -5.0253 0.21114E+00 -0.6754 5 HCO3- 0.65115E-02 -2.1863 0.44013E-02 -2.3564 0.67592E+00 -0.1701 6 HS- 0.38455E-07 -7.4150 0.25977E-07 -7.5854 0.67550E+00 -0.1704 7 H4SiO4 0.61638E-03 -3.2102 0.61638E-03 -3.2102 0.10000E+01 0.0000 8 Al+++ 0.98934E-10 -10.0047 0.29460E-11 -11.5308 0.29777E-01 -1.5261 9 Ca++ 0.47287E-03 -3.3253 0.96684E-04 -4.0146 0.20446E+00 -0.6894 10 Mg++ 0.38465E-04 -4.4149 0.78073E-05 -5.1075 0.20297E+00 -0.6926 11 Fe++ 0.35732E-06 -6.4469 0.72613E-07 -7.1390 0.20322E+00 -0.6920 12 K+ 0.11066E-01 -1.9560 0.74567E-02 -2.1275 0.67385E+00 -0.1714 13 Na+ 0.35867E+00 -0.4453 0.24106E+00 -0.6179 0.67211E+00 -0.1726 14 Mn++ 0.72172E-05 -5.1416 0.14684E-05 -5.8332 0.20345E+00 -0.6915 15 Zn++ 0.93442E-07 -7.0295 0.18989E-07 -7.7215 0.20322E+00 -0.6920 16 Cu+ 0.58650E-14 -14.2317 0.39419E-14 -14.4043 0.67210E+00 -0.1726 17 Pb++ 0.40886E-09 -9.3884 0.84206E-10 -10.0747 0.20595E+00 -0.6862 18 Ag+ 0.13122E-13 -13.8820 0.88356E-14 -14.0538 0.67333E+00 -0.1718 19 Au+ 0.82701E-26 -26.0825 0.55755E-26 -26.2537 0.67418E+00 -0.1712 20 Ba++ 0.91470E-06 -6.0387 0.18946E-06 -6.7225 0.20713E+00 -0.6838 21 F- 0.37659E-03 -3.4241 0.25694E-03 -3.5902 0.68228E+00 -0.1660 22 H2AsO3- 0.42268E-08 -8.3740 0.30145E-08 -8.5208 0.71317E+00 -0.1468 24 HSiO3- 0.50053E-07 -7.3006 0.33814E-07 -7.4709 0.67557E+00 -0.1703 25 Ca(HSiO3)+ 0.64538E-10 -10.1902 0.43510E-10 -10.3614 0.67418E+00 -0.1712 27 NaHSiO3,aq 0.17746E-06 -6.7509 0.17746E-06 -6.7509 0.10000E+01 0.0000 32 AgCl2- 0.34174E-10 -10.4663 0.23087E-10 -10.6366 0.67557E+00 -0.1703 38 Ag(HS),aq 0.97472E-09 -9.0111 0.97472E-09 -9.0111 0.10000E+01 0.0000 40 AlO+ 0.87949E-10 -10.0558 0.59293E-10 -10.2270 0.67418E+00 -0.1712 41 AlOH+2 0.84667E-10 -10.0723 0.17253E-10 -10.7631 0.20378E+00 -0.6908 42 HAlO2,aq 0.24509E-09 -9.6107 0.24509E-09 -9.6107 0.10000E+01 0.0000 43 AlO2- 0.22560E-10 -10.6467 0.15349E-10 -10.8139 0.68040E+00 -0.1672 44 AsO2- 0.43685E-08 -8.3597 0.29512E-08 -8.5300 0.67557E+00 -0.1703 45 HAsO2,aq 0.14534E-04 -4.8376 0.14534E-04 -4.8376 0.10000E+01 0.0000 46 H3AsO3,aq 0.17058E-04 -4.7681 0.17058E-04 -4.7681 0.10000E+01 0.0000 63 Ba(HCO3)+ 0.27601E-07 -7.5591 0.18658E-07 -7.7291 0.67599E+00 -0.1701 64 BaCl+ 0.48341E-07 -7.3157 0.32590E-07 -7.4869 0.67418E+00 -0.1712 65 BaF+ 0.84165E-10 -10.0749 0.56742E-10 -10.2461 0.67418E+00 -0.1712 66 CH4,aq 0.14642E-10 -10.8344 0.13702E-10 -10.8632 0.93583E+00 -0.0288 72 CO2,aq 0.78777E-01 -1.1036 0.73721E-01 -1.1324 0.93583E+00 -0.0288 73 CO3-2 0.18315E-06 -6.7372 0.38469E-07 -7.4149 0.21004E+00 -0.6777 74 CaCO3,aq 0.18852E-07 -7.7246 0.18852E-07 -7.7246 0.10000E+01 0.0000 75 Ca(HCO3)+ 0.92003E-05 -5.0362 0.62026E-05 -5.2074 0.67418E+00 -0.1712 76 CaCl+ 0.29523E-04 -4.5298 0.19904E-04 -4.7011 0.67418E+00 -0.1712 77 CaCl2,aq 0.11101E-05 -5.9546 0.11101E-05 -5.9546 0.10000E+01 0.0000 78 CaF+ 0.27828E-06 -6.5555 0.18761E-06 -6.7267 0.67418E+00 -0.1712 79 CaOH+ 0.65688E-10 -10.1825 0.44285E-10 -10.3537 0.67418E+00 -0.1712 80 CaSO4,aq 0.16553E-06 -6.7811 0.16553E-06 -6.7811 0.10000E+01 0.0000 81 HCl,aq 0.82893E-06 -6.0815 0.82893E-06 -6.0815 0.10000E+01 0.0000 91 CuCl2- 0.41245E-10 -10.3846 0.27864E-10 -10.5550 0.67557E+00 -0.1703 98 HF,aq 0.11108E-04 -4.9544 0.11108E-04 -4.9544 0.10000E+01 0.0000 99 HF2- 0.11244E-08 -8.9491 0.75964E-09 -9.1194 0.67557E+00 -0.1703 101 FeCl+ 0.24272E-07 -7.6149 0.16364E-07 -7.7861 0.67418E+00 -0.1712 104 FeF+ 0.88178E-09 -9.0546 0.59448E-09 -9.2259 0.67418E+00 -0.1712 107 FeOH+ 0.59314E-10 -10.2268 0.39988E-10 -10.3981 0.67418E+00 -0.1712 113 H2,aq 0.22223E-09 -9.6532 0.20796E-09 -9.6820 0.93583E+00 -0.0288 114 KCl,aq 0.13516E-04 -4.8691 0.13516E-04 -4.8691 0.10000E+01 0.0000 116 KOH,aq 0.49554E-10 -10.3049 0.49554E-10 -10.3049 0.10000E+01 0.0000 117 KSO4- 0.10792E-05 -5.9669 0.72910E-06 -6.1372 0.67557E+00 -0.1703 118 MgCO3,aq 0.46023E-09 -9.3370 0.46023E-09 -9.3370 0.10000E+01 0.0000 119 Mg(HCO3)+ 0.74915E-06 -6.1254 0.50506E-06 -6.2967 0.67418E+00 -0.1712 120 MgCl+ 0.25667E-05 -5.5906 0.17304E-05 -5.7619 0.67418E+00 -0.1712 121 MgF+ 0.89885E-07 -7.0463 0.60598E-07 -7.2175 0.67418E+00 -0.1712 122 MgOH+ 0.39034E-10 -10.4086 0.26316E-10 -10.5798 0.67418E+00 -0.1712 124 MnF+ 0.54529E-08 -8.2634 0.36762E-08 -8.4346 0.67418E+00 -0.1712 126 MnOH+ 0.91721E-10 -10.0375 0.61836E-10 -10.2088 0.67418E+00 -0.1712 131 MnCl+ 0.11793E-05 -5.9284 0.79506E-06 -6.0996 0.67418E+00 -0.1712 132 MnSO4,aq 0.20825E-08 -8.6814 0.20825E-08 -8.6814 0.10000E+01 0.0000 133 NaCl,aq 0.12763E-01 -1.8940 0.12763E-01 -1.8940 0.10000E+01 0.0000 134 NaF,aq 0.87679E-05 -5.0571 0.87679E-05 -5.0571 0.10000E+01 0.0000 135 NaOH,aq 0.19709E-08 -8.7053 0.19709E-08 -8.7053 0.10000E+01 0.0000 137 OH- 0.20273E-07 -7.6931 0.13794E-07 -7.8603 0.68040E+00 -0.1672 140 PbCl+ 0.11375E-08 -8.9440 0.76688E-09 -9.1153 0.67418E+00 -0.1712 141 PbCl2,aq 0.78380E-09 -9.1058 0.78380E-09 -9.1058 0.10000E+01 0.0000 142 PbCl3- 0.11818E-09 -9.9274 0.79841E-10 -10.0978 0.67557E+00 -0.1703 143 PbCl4-2 0.28663E-10 -10.5427 0.60201E-11 -11.2204 0.21004E+00 -0.6777 150 H2S,aq 0.13236E-05 -5.8783 0.12386E-05 -5.9071 0.93583E+00 -0.0288 159 HSO4- 0.56840E-07 -7.2453 0.38522E-07 -7.4143 0.67773E+00 -0.1689 173 ZnCl+ 0.11840E-06 -6.9266 0.79823E-07 -7.0979 0.67418E+00 -0.1712 174 ZnCl2,aq 0.12028E-07 -7.9198 0.12028E-07 -7.9198 0.10000E+01 0.0000 175 ZnCl3- 0.89126E-09 -9.0500 0.60211E-09 -9.2203 0.67557E+00 -0.1703 176 ZnF+ 0.13497E-09 -9.8698 0.90992E-10 -10.0410 0.67418E+00 -0.1712 178 ZnOH+ 0.12425E-08 -8.9057 0.83767E-09 -9.0769 0.67418E+00 -0.1712 Charge balance for all species = -.3160E-04 Component Molality Aq.molality ppm log[A(N)/A(H+)**Z] (total) 1 H+ 0.2256103E-04 0.7884363E-01 0.7743408E+02 0.0000 2 H2O 0.1000000E+01 0.5542946E+02 0.9730002E+06 0.0000 3 Cl- 0.3638927E+00 0.3767060E+00 0.1301327E+05 4.1915 4 SO4-- 0.4467796E-04 0.4598159E-04 0.4303924E+01 4.5764 5 HCO3- 0.6511499E-02 0.8529829E-01 0.5071348E+04 2.4444 6 HS- 0.3845537E-07 0.1363060E-05 0.4392444E-01 -2.7846 7 H4SiO4 0.6163819E-03 0.6166095E-03 0.5774761E+02 -3.2102 8 Al+++ 0.9893383E-10 0.5392008E-09 0.1417580E-04 2.8718 9 Ca++ 0.4728720E-03 0.5131683E-03 0.2003995E+02 5.5871 10 Mg++ 0.3846496E-04 0.4187117E-04 0.9918970E+00 4.4942 11 Fe++ 0.3573224E-06 0.3825356E-06 0.2081625E-01 2.4627 12 K+ 0.1106577E-01 0.1108036E-01 0.4221665E+03 2.6734 13 Na+ 0.3586682E+00 0.3714404E+00 0.8320610E+04 4.1830 14 Mn++ 0.7217204E-05 0.8404128E-05 0.4498796E+00 3.7686 15 Zn++ 0.9344219E-07 0.2261395E-06 0.1440409E-01 1.8802 16 Cu+ 0.5865022E-14 0.5076775E-10 0.3143156E-05 -9.6034 17 Pb++ 0.4088594E-09 0.2481564E-08 0.5009854E-03 -0.4729 18 Ag+ 0.1312218E-13 0.1017033E-08 0.1068973E-03 -9.2529 19 Au+ 0.8270093E-26 0.1484135E-12 0.2848378E-07 -21.4529 20 Ba++ 0.9147016E-06 0.9907363E-06 0.1325824E+00 2.8792 21 F- 0.3765868E-03 0.3968393E-03 0.7346042E+01 1.2107 22 H2AsO3- 0.4226821E-08 0.3160099E-04 0.3846963E+01 -3.7199 Component Tot moles Aq. moles Solid moles Gas moles 1 H+ 0.3234352E+00 0.3234484E+00 -.1321464E-04 0.0000000E+00 2 H2O 0.2273934E+03 0.2273940E+03 -.5619320E-03 0.0000000E+00 3 Cl- 0.1545400E+01 0.1545400E+01 0.0000000E+00 0.0000000E+00 4 SO4-- 0.1886393E-03 0.1886350E-03 0.4248207E-08 0.0000000E+00 5 HCO3- 0.3499280E+00 0.3499280E+00 0.0000000E+00 0.0000000E+00 6 HS- 0.1403031E-04 0.5591821E-05 0.8438489E-05 0.0000000E+00 7 H4SiO4 0.2811741E-02 0.2529581E-02 0.2821601E-03 0.0000000E+00 8 Al+++ 0.2407279E-05 0.2212019E-08 0.2405067E-05 0.0000000E+00 9 Ca++ 0.2105223E-02 0.2105223E-02 0.0000000E+00 0.0000000E+00 10 Mg++ 0.1717724E-03 0.1717724E-03 0.0000000E+00 0.0000000E+00 11 Fe++ 0.1603305E-05 0.1569315E-05 0.3398977E-07 0.0000000E+00 12 K+ 0.4545612E-01 0.4545612E-01 0.0000000E+00 0.0000000E+00 13 Na+ 0.1523798E+01 0.1523798E+01 0.0000000E+00 0.0000000E+00 14 Mn++ 0.3447712E-04 0.3447712E-04 0.0000000E+00 0.0000000E+00 15 Zn++ 0.7468176E-05 0.9277155E-06 0.6540461E-05 0.0000000E+00 16 Cu+ 0.1701571E-06 0.2082698E-09 0.1699489E-06 0.0000000E+00 17 Pb++ 0.1565021E-05 0.1018038E-07 0.1554840E-05 0.0000000E+00 18 Ag+ 0.4271281E-06 0.4172281E-08 0.4229558E-06 0.0000000E+00 19 Au+ 0.3110961E-11 0.6088519E-12 0.2502109E-11 0.0000000E+00 20 Ba++ 0.4064400E-05 0.4064400E-05 0.0000000E+00 0.0000000E+00 21 F- 0.1630400E-02 0.1627995E-02 0.2405067E-05 0.0000000E+00 22 H2AsO3- 0.1296400E-03 0.1296400E-03 0.0000000E+00 0.0000000E+00 Chg. balance for solid moles: -.2541E-20 Mass of aqueous solution: 0.421025E+04 g Temperature = 69.26 C Pressure = 500.00 bar Mixer frac. = 3.1000000 Log Log Vol Gas or mineral Moles Moles Grams Grams Wt.% (cm3) quartz 0.2810E-03 -3.551 0.1688E-01 -1.773 92.85 0.6375E-02 argentite 0.2115E-06 -6.675 0.5240E-04 -4.281 0.2883 0.7359E-05 bornite 0.3399E-07 -7.469 0.1706E-04 -4.768 0.9382E-01 0.3356E-05 topaz 0.1203E-05 -5.920 0.2213E-03 -3.655 1.217 0.6196E-04 galena 0.1555E-05 -5.808 0.3720E-03 -3.429 2.046 0.4896E-04 gold,native 0.2502E-11 -11.602 0.4928E-09 -9.307 0.2711E-05 0.2556E-10 silver,native 0.1612E-11 -11.793 0.1739E-09 -9.760 0.9567E-06 0.1656E-10 sphalerite 0.6540E-05 -5.184 0.6372E-03 -3.196 3.505 0.1558E-03 Partial press. Fugacity coef Log fugacity Gas or Mineral Mole fraction or activity Activity coef Log activity quartz 0.1000E+01 0.1000E+01 1.0000 0.000 argentite 0.1000E+01 0.1000E+01 1.0000 0.000 bornite 0.1000E+01 0.1000E+01 1.0000 0.000 topaz 0.1000E+01 0.1000E+01 1.0000 0.000 galena 0.1000E+01 0.1000E+01 1.0000 0.000 gold,native 0.6081E+00 0.2819E+00 0.4636 -0.550 silver,native 0.3919E+00 0.3983E-01 0.1016 -1.400 sphalerite 0.1000E+01 0.1000E+01 1.0000 0.000 Total fraction of mixing solution added: 3.1000000 Solid products produced: Mass = 0.018180 g Volume = 0.006652 cm3 WARNING: mineral volume may be in error because some mineral densities were not supplied in SOLTHERM. See mineral list in file Skip_Species.txt. Gas composition at saturation ( 3 iterations) ------------------------------------------------- Temperature: 69.2575 deg.C Sat. pressure: 11.5193 bar Gas Mole fraction phi Fugacity Partial P(bar) H2O,gas 0.3718E-01 0.9327 0.3995E+00 0.4283E+00 CO2,gas 0.9628E+00 0.9559 0.1060E+02 0.1109E+02 CH4,gas 0.3248E-08 1.0083 0.3773E-07 0.3742E-07 H2,gas 0.3944E-07 1.0067 0.4574E-06 0.4544E-06 H2S,gas 0.3998E-05 0.9458 0.4356E-04 0.4605E-04 S2,gas 0.2148E-18 1.0000 0.2475E-17 0.2475E-17 CO,gas 0.8691E-10 1.0000 0.1001E-08 0.1001E-08 SO3,gas 0.5761E-34 1.0000 0.6637E-33 0.6637E-33 O2,gas 0.5173E-58 1.0000 0.5959E-57 0.5959E-57 SO2,gas 0.1628E-15 1.0000 0.1875E-14 0.1875E-14 HF,gas 0.7747E-09 1.0000 0.8924E-08 0.8924E-08 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 148 quartz -3.20 -3.20 0.00 0.000 0.00000E+00 197 argentite -30.89 -30.89 0.00 0.000 0.00000E+00 206 bornite -95.38 -95.38 0.00 0.000 0.00000E+00 226 topaz -14.25 -14.25 0.00 0.000 0.55664E-11 261 galena -12.86 -12.86 0.00 0.000 0.00000E+00 262 gold,native -20.63 -20.63 0.00 0.000 0.55664E-11 263 silver,native -7.58 -7.58 0.00 0.000 0.27832E-11 273 sphalerite -10.51 -10.51 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 1 H2O,gas 3.09 -0.01 -3.10 -3.097 0.48530E+04 -0.398 2 CO2,gas -5.48 -7.15 -1.67 -0.558 0.26221E+04 1.025 3 CH4,gas 5.20 -4.92 -10.12 -2.531 0.15860E+05 -7.423 4 H2,gas 9.59 0.55 -9.04 -5.165 0.14162E+05 -6.340 5 H2S,gas -5.33 -12.39 -7.06 -3.530 0.11061E+05 -4.361 6 S2,gas -5.58 -25.88 -20.31 -3.124 0.31815E+05 -17.607 7 CO,gas 5.11 -6.59 -11.70 -3.600 0.18329E+05 -9.000 8 SO3,gas 21.26 -14.62 -35.88 -8.969 0.56212E+05 -33.178 9 O2,gas 58.80 -1.12 -59.92 -39.949 0.93889E+05 -57.225 10 SO2,gas 3.36 -14.06 -17.43 -4.647 0.27303E+05 -14.727 11 HF,gas 2.36 -8.39 -10.75 -5.374 0.16841E+05 -8.049 12 HCl,gas 4.41 -5.41 -9.82 -4.910 0.15387E+05 -9.820 17 albite-high 2.27 -2.55 -4.82 -0.371 0.75524E+04 18 albite 1.01 -2.55 -3.56 -0.274 0.55849E+04 22 analcite 4.96 0.64 -4.32 -0.480 0.67633E+04 26 anhydrite -4.50 -9.04 -4.54 -2.270 0.71128E+04 34 aragonite 1.56 -1.57 -3.14 -1.045 0.49120E+04 36 calcite 1.43 -1.57 -3.00 -0.999 0.46972E+04 53 coesite -2.55 -3.20 -0.65 -0.216 0.10136E+04 60 cristobalite -2.67 -3.20 -0.53 -0.178 0.83686E+03 65 diaspore 4.36 2.86 -1.50 -0.250 0.23494E+04 66 diamond -3.62 -6.03 -2.41 -0.688 0.37711E+04 83 gibbsite 5.53 2.86 -2.68 -0.382 0.41936E+04 87 graphite -4.08 -6.03 -1.95 -0.558 0.30610E+04 90 halite 1.67 -1.23 -2.90 -1.448 0.45384E+04 99 kaolinite 1.00 -0.68 -1.68 -0.153 0.26345E+04 107 magnesite 1.50 -2.66 -4.16 -1.387 0.65205E+04 117 microcline -1.43 -4.06 -2.63 -0.203 0.41260E+04 121 muscovite 6.58 1.66 -4.92 -0.289 0.77055E+04 143 pyrite -22.17 -22.86 -0.70 -0.164 0.10897E+04 145 pyrrhotiteFe0.875 -5.85 -10.30 -4.45 -1.637 0.69744E+04 147 pyrophyllite -4.00 -7.08 -3.08 -0.192 0.48222E+04 153 rhodochrosite -0.50 -3.39 -2.89 -0.963 0.45270E+04 155 sanidine -0.11 -4.06 -3.95 -0.304 0.61928E+04 157 siderite -2.09 -4.69 -2.61 -0.870 0.40885E+04 171 sulfur -9.47 -12.94 -3.47 -1.069 0.54435E+04 172 sylvite 1.30 -2.74 -4.03 -2.016 0.63181E+04 180 topaz-H 7.48 2.52 -4.95 -0.450 0.77599E+04 181 tridymite -2.75 -3.20 -0.45 -0.150 0.70377E+03 198 arsenic -7.98 -12.47 -4.49 -1.159 0.70353E+04 208 chalcedony -3.00 -3.20 -0.20 -0.068 0.31977E+03 209 chalcocite -30.33 -31.59 -1.27 -0.316 0.19827E+04 211 covellite -21.47 -22.27 -0.80 -0.303 0.12458E+04 212 dawsonite 2.90 -0.11 -3.02 -0.377 0.47278E+04 230 gypsum -4.45 -9.05 -4.60 -1.150 0.72044E+04 246 acanthite -30.84 -30.89 -0.05 -0.013 0.81783E+02 252 barite -9.21 -11.75 -2.54 -1.269 0.39753E+04 253 boehmite 6.11 2.86 -3.25 -0.542 0.50975E+04 254 cerussite -2.74 -7.63 -4.89 -1.629 0.76573E+04 255 chalcopyrite -30.16 -32.19 -2.03 -0.378 0.31863E+04 260 fluorite -9.56 -11.19 -1.64 -0.546 0.25653E+04 270 silica-amorphous -2.13 -3.20 -1.07 -0.356 0.16740E+04 274 wurtzite -8.51 -10.51 -2.00 -0.667 0.31351E+04 Calculations done for 69.2575 Deg. C; 500.0000 bar Mixer fraction: 3.1000000 Temperature Stoc.ionic strength Heat per mole Actual solution: 69.258 .42430E+00 1.424 Mixing solution: 25.000 .50000E-10 0.646 Fract. of mixing solution added: 0.100000 BITMOL = 0.5551E+01 OLDMOL = 0.2291E+03 New heat: 1.405 New temperature: 68.213 New mixer fraction: 3.2000000 Resulting temperature: 68.213Deg. C Solids and gases carried Charge balance check after fractionation or titration: TBAL = -.1296E-03 ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ Test file for CHIM-XPT. Mixing of cold water into metal bearing water starting at 199.97 C. Illustrates fluid-fluid mixing. CHIMRUN demo-3 ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ Number of loops used = 7 Loop limit = 70 Temperature = 68.21 C Pressure = 500.00 bar Mixer fraction = 3.2000000 Water: Moles liquid = 0.2333E+03 kg liquid = 0.4202E+01 Moles total = 0.2329E+03 kg total = 0.4197E+01 Activity = 0.9878 Stoichiometric ionic strength = .4141911E+00 Osmotic coef. = 0.9253 True ionic strength = .3629193E+00 Chg. balance for total moles = -.1296E-03 Max. difference allowed = 0.1545E-03 Log Log Log Species(n) Molality Molality Activity Activity Gamma Gamma 1 H+ 0.22543E-04 -4.6470 0.15845E-04 -4.8001 0.70290E+00 -0.1531 2 H2O 0.98781E+00 -0.0053 0.98781E+00 -0.0053 3 Cl- 0.35557E+00 -0.4491 0.24084E+00 -0.6183 0.67733E+00 -0.1692 4 SO4-- 0.43639E-04 -4.3601 0.93380E-05 -5.0297 0.21398E+00 -0.6696 5 HCO3- 0.63571E-02 -2.1967 0.43080E-02 -2.3657 0.67766E+00 -0.1690 6 HS- 0.36879E-07 -7.4332 0.24977E-07 -7.6025 0.67726E+00 -0.1692 7 H4SiO4 0.60287E-03 -3.2198 0.60287E-03 -3.2198 0.10000E+01 0.0000 8 Al+++ 0.10627E-09 -9.9736 0.32632E-11 -11.4864 0.30707E-01 -1.5128 9 Ca++ 0.46255E-03 -3.3348 0.95894E-04 -4.0182 0.20731E+00 -0.6834 10 Mg++ 0.37614E-04 -4.4247 0.77423E-05 -5.1111 0.20584E+00 -0.6865 11 Fe++ 0.34932E-06 -6.4568 0.71987E-07 -7.1427 0.20608E+00 -0.6860 12 K+ 0.10803E-01 -1.9665 0.72986E-02 -2.1368 0.67560E+00 -0.1703 13 Na+ 0.35047E+00 -0.4554 0.23618E+00 -0.6268 0.67391E+00 -0.1714 14 Mn++ 0.70837E-05 -5.1497 0.14615E-05 -5.8352 0.20631E+00 -0.6855 15 Zn++ 0.93148E-07 -7.0308 0.19196E-07 -7.7168 0.20608E+00 -0.6860 16 Cu+ 0.53377E-14 -14.2726 0.35970E-14 -14.4441 0.67390E+00 -0.1714 17 Pb++ 0.38797E-09 -9.4112 0.81008E-10 -10.0915 0.20880E+00 -0.6803 18 Ag+ 0.11878E-13 -13.9252 0.80189E-14 -14.0959 0.67509E+00 -0.1706 19 Au+ 0.69404E-26 -26.1586 0.46912E-26 -26.3287 0.67593E+00 -0.1701 20 Ba++ 0.89536E-06 -6.0480 0.18800E-06 -6.7259 0.20997E+00 -0.6778 21 F- 0.36806E-03 -3.4341 0.25177E-03 -3.5990 0.68404E+00 -0.1649 22 H2AsO3- 0.39691E-08 -8.4013 0.28358E-08 -8.5473 0.71447E+00 -0.1460 24 HSiO3- 0.47712E-07 -7.3214 0.32316E-07 -7.4906 0.67733E+00 -0.1692 25 Ca(HSiO3)+ 0.60245E-10 -10.2201 0.40721E-10 -10.3902 0.67593E+00 -0.1701 27 NaHSiO3,aq 0.16911E-06 -6.7718 0.16911E-06 -6.7718 0.10000E+01 0.0000 32 AgCl2- 0.30256E-10 -10.5192 0.20494E-10 -10.6884 0.67733E+00 -0.1692 38 Ag(HS),aq 0.94293E-09 -9.0255 0.94293E-09 -9.0255 0.10000E+01 0.0000 40 AlO+ 0.87117E-10 -10.0599 0.58885E-10 -10.2300 0.67593E+00 -0.1701 41 AlOH+2 0.87168E-10 -10.0596 0.18012E-10 -10.7444 0.20664E+00 -0.6848 42 HAlO2,aq 0.23238E-09 -9.6338 0.23238E-09 -9.6338 0.10000E+01 0.0000 43 AlO2- 0.20654E-10 -10.6850 0.14089E-10 -10.8511 0.68216E+00 -0.1661 44 AsO2- 0.41636E-08 -8.3805 0.28202E-08 -8.5497 0.67733E+00 -0.1692 45 HAsO2,aq 0.14242E-04 -4.8464 0.14242E-04 -4.8464 0.10000E+01 0.0000 46 H3AsO3,aq 0.16599E-04 -4.7799 0.16599E-04 -4.7799 0.10000E+01 0.0000 63 Ba(HCO3)+ 0.25880E-07 -7.5870 0.17539E-07 -7.7560 0.67771E+00 -0.1690 64 BaCl+ 0.45831E-07 -7.3388 0.30978E-07 -7.5089 0.67593E+00 -0.1701 65 BaF+ 0.80140E-10 -10.0961 0.54169E-10 -10.2663 0.67593E+00 -0.1701 66 CH4,aq 0.13981E-10 -10.8545 0.13097E-10 -10.8828 0.93681E+00 -0.0283 72 CO2,aq 0.76902E-01 -1.1141 0.72043E-01 -1.1424 0.93681E+00 -0.0283 73 CO3-2 0.17576E-06 -6.7551 0.37415E-07 -7.4270 0.21288E+00 -0.6719 74 CaCO3,aq 0.17750E-07 -7.7508 0.17750E-07 -7.7508 0.10000E+01 0.0000 75 Ca(HCO3)+ 0.87878E-05 -5.0561 0.59399E-05 -5.2262 0.67593E+00 -0.1701 76 CaCl+ 0.28126E-04 -4.5509 0.19011E-04 -4.7210 0.67593E+00 -0.1701 77 CaCl2,aq 0.10456E-05 -5.9806 0.10456E-05 -5.9806 0.10000E+01 0.0000 78 CaF+ 0.26520E-06 -6.5764 0.17925E-06 -6.7465 0.67593E+00 -0.1701 79 CaOH+ 0.59813E-10 -10.2232 0.40429E-10 -10.3933 0.67593E+00 -0.1701 80 CaSO4,aq 0.16038E-06 -6.7948 0.16038E-06 -6.7948 0.10000E+01 0.0000 81 HCl,aq 0.81387E-06 -6.0894 0.81387E-06 -6.0894 0.10000E+01 0.0000 91 CuCl2- 0.36396E-10 -10.4389 0.24652E-10 -10.6081 0.67733E+00 -0.1692 98 HF,aq 0.10664E-04 -4.9721 0.10664E-04 -4.9721 0.10000E+01 0.0000 99 HF2- 0.10507E-08 -8.9785 0.71164E-09 -9.1477 0.67733E+00 -0.1692 101 FeCl+ 0.23216E-07 -7.6342 0.15692E-07 -7.8043 0.67593E+00 -0.1701 104 FeF+ 0.84568E-09 -9.0728 0.57162E-09 -9.2429 0.67593E+00 -0.1701 107 FeOH+ 0.55451E-10 -10.2561 0.37481E-10 -10.4262 0.67593E+00 -0.1701 113 H2,aq 0.20653E-09 -9.6850 0.19348E-09 -9.7134 0.93681E+00 -0.0283 114 KCl,aq 0.12640E-04 -4.8983 0.12640E-04 -4.8983 0.10000E+01 0.0000 116 KOH,aq 0.45600E-10 -10.3410 0.45600E-10 -10.3410 0.10000E+01 0.0000 117 KSO4- 0.10314E-05 -5.9866 0.69860E-06 -6.1558 0.67733E+00 -0.1692 118 MgCO3,aq 0.43668E-09 -9.3598 0.43668E-09 -9.3598 0.10000E+01 0.0000 119 Mg(HCO3)+ 0.71504E-06 -6.1457 0.48331E-06 -6.3158 0.67593E+00 -0.1701 120 MgCl+ 0.24597E-05 -5.6091 0.16626E-05 -5.7792 0.67593E+00 -0.1701 121 MgF+ 0.85914E-07 -7.0659 0.58072E-07 -7.2360 0.67593E+00 -0.1701 122 MgOH+ 0.35947E-10 -10.4443 0.24298E-10 -10.6144 0.67593E+00 -0.1701 124 MnF+ 0.52385E-08 -8.2808 0.35408E-08 -8.4509 0.67593E+00 -0.1701 126 MnOH+ 0.85428E-10 -10.0684 0.57743E-10 -10.2385 0.67593E+00 -0.1701 131 MnCl+ 0.11131E-05 -5.9535 0.75235E-06 -6.1236 0.67593E+00 -0.1701 132 MnSO4,aq 0.20163E-08 -8.6954 0.20163E-08 -8.6954 0.10000E+01 0.0000 133 NaCl,aq 0.12126E-01 -1.9163 0.12126E-01 -1.9163 0.10000E+01 0.0000 134 NaF,aq 0.83160E-05 -5.0801 0.83160E-05 -5.0801 0.10000E+01 0.0000 135 NaOH,aq 0.18273E-08 -8.7382 0.18273E-08 -8.7382 0.10000E+01 0.0000 137 OH- 0.19200E-07 -7.7167 0.13097E-07 -7.8828 0.68216E+00 -0.1661 140 PbCl+ 0.10559E-08 -8.9764 0.71368E-09 -9.1465 0.67593E+00 -0.1701 141 PbCl2,aq 0.70873E-09 -9.1495 0.70873E-09 -9.1495 0.10000E+01 0.0000 142 PbCl3- 0.10411E-09 -9.9825 0.70517E-10 -10.1517 0.67733E+00 -0.1692 143 PbCl4-2 0.24606E-10 -10.6090 0.52380E-11 -11.2808 0.21288E+00 -0.6719 150 H2S,aq 0.12888E-05 -5.8898 0.12074E-05 -5.9181 0.93681E+00 -0.0283 159 HSO4- 0.54334E-07 -7.2649 0.36916E-07 -7.4328 0.67943E+00 -0.1679 173 ZnCl+ 0.11066E-06 -6.9560 0.74797E-07 -7.1261 0.67593E+00 -0.1701 174 ZnCl2,aq 0.11104E-07 -7.9545 0.11104E-07 -7.9545 0.10000E+01 0.0000 175 ZnCl3- 0.81408E-09 -9.0893 0.55140E-09 -9.2585 0.67733E+00 -0.1692 176 ZnF+ 0.13173E-09 -9.8803 0.89040E-10 -10.0504 0.67593E+00 -0.1701 178 ZnOH+ 0.11555E-08 -8.9372 0.78102E-09 -9.1073 0.67593E+00 -0.1701 Charge balance for all species = -.3084E-04 Component Molality Aq.molality ppm log[A(N)/A(H+)**Z] (total) 1 H+ 0.2254305E-04 0.7696748E-01 0.7563757E+02 0.0000 2 H2O 0.1000000E+01 0.5543133E+02 0.9736265E+06 0.0000 3 Cl- 0.3555683E+00 0.3677420E+00 0.1271135E+05 4.1818 4 SO4-- 0.4363934E-04 0.4488742E-04 0.4204071E+01 4.5704 5 HCO3- 0.6357113E-02 0.8326855E-01 0.4953690E+04 2.4344 6 HS- 0.3687908E-07 0.1326731E-05 0.4277980E-01 -2.8024 7 H4SiO4 0.6028669E-03 0.6030838E-03 0.5651533E+02 -3.2198 8 Al+++ 0.1062695E-09 0.5335855E-09 0.1403672E-04 2.9139 9 Ca++ 0.4625544E-03 0.5009571E-03 0.1957502E+02 5.5820 10 Mg++ 0.3761363E-04 0.4087481E-04 0.9688844E+00 4.4891 11 Fe++ 0.3493152E-06 0.3734319E-06 0.2033325E-01 2.4574 12 K+ 0.1080302E-01 0.1081670E-01 0.4123720E+03 2.6633 13 Na+ 0.3504670E+00 0.3626017E+00 0.8127567E+04 4.1733 14 Mn++ 0.7083739E-05 0.8204145E-05 0.4394422E+00 3.7650 15 Zn++ 0.9314783E-07 0.2170110E-06 0.1383107E-01 1.8834 16 Cu+ 0.5337662E-14 0.4489027E-10 0.2780962E-05 -9.6440 17 Pb++ 0.3879732E-09 0.2285547E-08 0.4616944E-03 -0.4913 18 Ag+ 0.1187823E-13 0.9803266E-09 0.1031020E-03 -9.2958 19 Au+ 0.6940362E-26 0.1387640E-12 0.2664807E-07 -21.5286 20 Ba++ 0.8953625E-06 0.9671609E-06 0.1295064E+00 2.8743 21 F- 0.3680567E-03 0.3873962E-03 0.7175610E+01 1.2011 22 H2AsO3- 0.3969057E-08 0.3084902E-04 0.3757712E+01 -3.7472 Component Tot moles Aq. moles Solid moles Gas moles 1 H+ 0.3234352E+00 0.3234484E+00 -.1323094E-04 0.0000000E+00 2 H2O 0.2329443E+03 0.2329448E+03 -.5522912E-03 0.0000000E+00 3 Cl- 0.1545400E+01 0.1545400E+01 0.0000000E+00 0.0000000E+00 4 SO4-- 0.1886393E-03 0.1886350E-03 0.4248693E-08 0.0000000E+00 5 HCO3- 0.3499280E+00 0.3499280E+00 0.0000000E+00 0.0000000E+00 6 HS- 0.1403031E-04 0.5575457E-05 0.8454854E-05 0.0000000E+00 7 H4SiO4 0.2811741E-02 0.2534401E-02 0.2773396E-03 0.0000000E+00 8 Al+++ 0.2407279E-05 0.2242341E-08 0.2405037E-05 0.0000000E+00 9 Ca++ 0.2105223E-02 0.2105223E-02 0.0000000E+00 0.0000000E+00 10 Mg++ 0.1717724E-03 0.1717724E-03 0.0000000E+00 0.0000000E+00 11 Fe++ 0.1603305E-05 0.1569311E-05 0.3399370E-07 0.0000000E+00 12 K+ 0.4545612E-01 0.4545612E-01 0.0000000E+00 0.0000000E+00 13 Na+ 0.1523798E+01 0.1523798E+01 0.0000000E+00 0.0000000E+00 14 Mn++ 0.3447712E-04 0.3447712E-04 0.0000000E+00 0.0000000E+00 15 Zn++ 0.7468176E-05 0.9119679E-06 0.6556208E-05 0.0000000E+00 16 Cu+ 0.1701571E-06 0.1886470E-09 0.1699685E-06 0.0000000E+00 17 Pb++ 0.1565021E-05 0.9604791E-08 0.1555416E-05 0.0000000E+00 18 Ag+ 0.4271281E-06 0.4119727E-08 0.4230084E-06 0.0000000E+00 19 Au+ 0.3110961E-11 0.5831421E-12 0.2527819E-11 0.0000000E+00 20 Ba++ 0.4064400E-05 0.4064400E-05 0.0000000E+00 0.0000000E+00 21 F- 0.1630400E-02 0.1627995E-02 0.2405037E-05 0.0000000E+00 22 H2AsO3- 0.1296400E-03 0.1296400E-03 0.0000000E+00 0.0000000E+00 Chg. balance for solid moles: -.8470E-21 Mass of aqueous solution: 0.431025E+04 g Temperature = 68.21 C Pressure = 500.00 bar Mixer frac. = 3.2000000 Log Log Vol Gas or mineral Moles Moles Grams Grams Wt.% (cm3) quartz 0.2761E-03 -3.559 0.1659E-01 -1.780 92.72 0.6265E-02 argentite 0.2115E-06 -6.675 0.5241E-04 -4.281 0.2929 0.7360E-05 bornite 0.3399E-07 -7.469 0.1706E-04 -4.768 0.9534E-01 0.3356E-05 topaz 0.1203E-05 -5.920 0.2213E-03 -3.655 1.237 0.6196E-04 galena 0.1555E-05 -5.808 0.3721E-03 -3.429 2.080 0.4898E-04 gold,native 0.2528E-11 -11.597 0.4979E-09 -9.303 0.2783E-05 0.2582E-10 silver,native 0.1620E-11 -11.790 0.1748E-09 -9.758 0.9767E-06 0.1664E-10 sphalerite 0.6556E-05 -5.183 0.6388E-03 -3.195 3.570 0.1562E-03 Partial press. Fugacity coef Log fugacity Gas or Mineral Mole fraction or activity Activity coef Log activity quartz 0.1000E+01 0.1000E+01 1.0000 0.000 argentite 0.1000E+01 0.1000E+01 1.0000 0.000 bornite 0.1000E+01 0.1000E+01 1.0000 0.000 topaz 0.1000E+01 0.1000E+01 1.0000 0.000 galena 0.1000E+01 0.1000E+01 1.0000 0.000 gold,native 0.6094E+00 0.2833E+00 0.4649 -0.548 silver,native 0.3906E+00 0.3905E-01 0.1000 -1.408 sphalerite 0.1000E+01 0.1000E+01 1.0000 0.000 Total fraction of mixing solution added: 3.2000000 Solid products produced: Mass = 0.017892 g Volume = 0.006543 cm3 WARNING: mineral volume may be in error because some mineral densities were not supplied in SOLTHERM. See mineral list in file Skip_Species.txt. Gas composition at saturation ( 3 iterations) ------------------------------------------------- Temperature: 68.2134 deg.C Sat. pressure: 11.0804 bar Gas Mole fraction phi Fugacity Partial P(bar) H2O,gas 0.3690E-01 0.9350 0.3823E+00 0.4089E+00 CO2,gas 0.9631E+00 0.9571 0.1021E+02 0.1067E+02 CH4,gas 0.3216E-08 1.0080 0.3592E-07 0.3563E-07 H2,gas 0.3825E-07 1.0065 0.4266E-06 0.4239E-06 H2S,gas 0.3996E-05 0.9474 0.4195E-04 0.4427E-04 S2,gas 0.1984E-18 1.0000 0.2199E-17 0.2199E-17 CO,gas 0.8121E-10 1.0000 0.8999E-09 0.8999E-09 SO3,gas 0.4587E-34 1.0000 0.5082E-33 0.5082E-33 O2,gas 0.3372E-58 1.0000 0.3736E-57 0.3736E-57 SO2,gas 0.1472E-15 1.0000 0.1631E-14 0.1631E-14 HF,gas 0.7358E-09 1.0000 0.8153E-08 0.8153E-08 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 148 quartz -3.21 -3.21 0.00 0.000 0.00000E+00 197 argentite -30.99 -30.99 0.00 0.000 0.55494E-11 206 bornite -95.65 -95.65 0.00 0.000 -0.22198E-10 226 topaz -14.19 -14.19 0.00 0.000 0.27747E-11 261 galena -12.89 -12.89 0.00 0.000 -0.27747E-11 262 gold,native -20.71 -20.71 0.00 0.000 0.00000E+00 263 silver,native -7.61 -7.61 0.00 0.000 0.13874E-11 273 sphalerite -10.52 -10.52 0.00 0.000 0.27747E-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 1 H2O,gas 3.11 -0.01 -3.12 -3.117 0.48681E+04 -0.418 2 CO2,gas -5.47 -7.16 -1.69 -0.563 0.26395E+04 1.009 3 CH4,gas 5.20 -4.94 -10.14 -2.536 0.15845E+05 -7.445 4 H2,gas 9.62 0.55 -9.07 -5.182 0.14166E+05 -6.370 5 H2S,gas -5.33 -12.40 -7.08 -3.538 0.11053E+05 -4.377 6 S2,gas -5.55 -25.91 -20.36 -3.132 0.31798E+05 -17.658 7 CO,gas 5.14 -6.60 -11.74 -3.614 0.18346E+05 -9.046 8 SO3,gas 21.37 -14.62 -35.99 -8.998 0.56222E+05 -33.294 9 O2,gas 59.01 -1.11 -60.13 -40.084 0.93919E+05 -57.428 10 SO2,gas 3.42 -14.07 -17.49 -4.663 0.27314E+05 -14.787 11 HF,gas 2.39 -8.40 -10.79 -5.394 0.16851E+05 -8.089 12 HCl,gas 4.45 -5.42 -9.87 -4.933 0.15410E+05 -9.866 17 albite-high 2.31 -2.55 -4.86 -0.374 0.75901E+04 18 albite 1.05 -2.55 -3.60 -0.277 0.56185E+04 22 analcite 5.00 0.65 -4.35 -0.483 0.67948E+04 26 anhydrite -4.48 -9.05 -4.56 -2.282 0.71296E+04 34 aragonite 1.58 -1.58 -3.16 -1.055 0.49421E+04 36 calcite 1.44 -1.58 -3.03 -1.009 0.47279E+04 53 coesite -2.56 -3.21 -0.65 -0.216 0.10131E+04 60 cristobalite -2.67 -3.21 -0.54 -0.179 0.83875E+03 65 diaspore 4.41 2.90 -1.51 -0.251 0.23512E+04 66 diamond -3.64 -6.05 -2.40 -0.687 0.37551E+04 83 gibbsite 5.58 2.90 -2.68 -0.383 0.41899E+04 87 graphite -4.10 -6.05 -1.95 -0.557 0.30459E+04 90 halite 1.67 -1.25 -2.92 -1.458 0.45534E+04 99 kaolinite 1.07 -0.62 -1.69 -0.153 0.26320E+04 107 magnesite 1.52 -2.68 -4.20 -1.400 0.65585E+04 117 microcline -1.41 -4.06 -2.65 -0.204 0.41452E+04 121 muscovite 6.70 1.75 -4.95 -0.291 0.77309E+04 143 pyrite -22.21 -22.90 -0.69 -0.162 0.10730E+04 145 pyrrhotiteFe0.875 -5.85 -10.32 -4.47 -1.645 0.69857E+04 147 pyrophyllite -3.94 -7.03 -3.09 -0.193 0.48273E+04 153 rhodochrosite -0.49 -3.40 -2.91 -0.971 0.45500E+04 155 sanidine -0.08 -4.06 -3.98 -0.306 0.62121E+04 157 siderite -2.07 -4.71 -2.64 -0.879 0.41167E+04 171 sulfur -9.48 -12.95 -3.47 -1.068 0.54211E+04 172 sylvite 1.29 -2.76 -4.05 -2.023 0.63198E+04 180 topaz-H 7.57 2.60 -4.97 -0.452 0.77613E+04 181 tridymite -2.76 -3.21 -0.45 -0.150 0.70458E+03 198 arsenic -8.01 -12.50 -4.49 -1.160 0.70195E+04 208 chalcedony -3.00 -3.21 -0.20 -0.068 0.31971E+03 209 chalcocite -30.42 -31.69 -1.27 -0.317 0.19777E+04 211 covellite -21.53 -22.32 -0.79 -0.300 0.12304E+04 212 dawsonite 2.94 -0.09 -3.03 -0.379 0.47312E+04 230 gypsum -4.45 -9.06 -4.61 -1.153 0.72057E+04 246 acanthite -30.94 -30.99 -0.05 -0.013 0.79593E+02 252 barite -9.21 -11.76 -2.54 -1.271 0.39698E+04 253 boehmite 6.17 2.90 -3.27 -0.544 0.51031E+04 254 cerussite -2.75 -7.66 -4.91 -1.637 0.76715E+04 255 chalcopyrite -30.23 -32.27 -2.04 -0.380 0.31875E+04 260 fluorite -9.56 -11.22 -1.66 -0.553 0.25917E+04 270 silica-amorphous -2.14 -3.21 -1.07 -0.358 0.16767E+04 274 wurtzite -8.51 -10.52 -2.01 -0.669 0.31351E+04 Calculations done for 68.2134 Deg. C; 500.0000 bar Mixer fraction: 3.2000000 Temperature Stoc.ionic strength Heat per mole Actual solution: 68.213 .41419E+00 1.405 Mixing solution: 25.000 .50000E-10 0.646 Fract. of mixing solution added: 0.100000 BITMOL = 0.5551E+01 OLDMOL = 0.2347E+03 New heat: 1.388 New temperature: 67.217 New mixer fraction: 3.3000000 Resulting temperature: 67.217Deg. C Solids and gases carried Charge balance check after fractionation or titration: TBAL = -.1296E-03 ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ Test file for CHIM-XPT. Mixing of cold water into metal bearing water starting at 199.97 C. Illustrates fluid-fluid mixing. CHIMRUN demo-3 ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ Number of loops used = 7 Loop limit = 70 Temperature = 67.22 C Pressure = 500.00 bar Mixer fraction = 3.3000000 Water: Moles liquid = 0.2388E+03 kg liquid = 0.4302E+01 Moles total = 0.2385E+03 kg total = 0.4297E+01 Activity = 0.9881 Stoichiometric ionic strength = .4045511E+00 Osmotic coef. = 0.9252 True ionic strength = .3547953E+00 Chg. balance for total moles = -.1296E-03 Max. difference allowed = 0.1545E-03 Log Log Log Species(n) Molality Molality Activity Activity Gamma Gamma 1 H+ 0.22517E-04 -4.6475 0.15866E-04 -4.7995 0.70463E+00 -0.1520 2 H2O 0.98810E+00 -0.0052 0.98810E+00 -0.0052 3 Cl- 0.34761E+00 -0.4589 0.23604E+00 -0.6270 0.67903E+00 -0.1681 4 SO4-- 0.42648E-04 -4.3701 0.92436E-05 -5.0342 0.21674E+00 -0.6641 5 HCO3- 0.62099E-02 -2.2069 0.42186E-02 -2.3748 0.67934E+00 -0.1679 6 HS- 0.35422E-07 -7.4507 0.24050E-07 -7.6189 0.67896E+00 -0.1682 7 H4SiO4 0.59010E-03 -3.2291 0.59010E-03 -3.2291 0.10000E+01 0.0000 8 Al+++ 0.11376E-09 -9.9440 0.35977E-11 -11.4440 0.31626E-01 -1.5000 9 Ca++ 0.45267E-03 -3.3442 0.95100E-04 -4.0218 0.21009E+00 -0.6776 10 Mg++ 0.36799E-04 -4.4342 0.76772E-05 -5.1148 0.20863E+00 -0.6806 11 Fe++ 0.34166E-06 -6.4664 0.71360E-07 -7.1465 0.20886E+00 -0.6801 12 K+ 0.10552E-01 -1.9766 0.71471E-02 -2.1459 0.67730E+00 -0.1692 13 Na+ 0.34263E+00 -0.4652 0.23149E+00 -0.6355 0.67564E+00 -0.1703 14 Mn++ 0.69542E-05 -5.1578 0.14541E-05 -5.8374 0.20910E+00 -0.6797 15 Zn++ 0.92825E-07 -7.0323 0.19388E-07 -7.7125 0.20886E+00 -0.6801 16 Cu+ 0.48750E-14 -14.3120 0.32938E-14 -14.4823 0.67563E+00 -0.1703 17 Pb++ 0.36873E-09 -9.4333 0.78011E-10 -10.1078 0.21157E+00 -0.6746 18 Ag+ 0.10792E-13 -13.9669 0.73041E-14 -14.1364 0.67680E+00 -0.1695 19 Au+ 0.58612E-26 -26.2320 0.39716E-26 -26.4010 0.67761E+00 -0.1690 20 Ba++ 0.87677E-06 -6.0571 0.18652E-06 -6.7293 0.21273E+00 -0.6722 21 F- 0.35990E-03 -3.4438 0.24679E-03 -3.6077 0.68572E+00 -0.1639 22 H2AsO3- 0.37364E-08 -8.4275 0.26742E-08 -8.5728 0.71572E+00 -0.1453 24 HSiO3- 0.45573E-07 -7.3413 0.30946E-07 -7.5094 0.67903E+00 -0.1681 25 Ca(HSiO3)+ 0.56390E-10 -10.2488 0.38211E-10 -10.4178 0.67761E+00 -0.1690 27 NaHSiO3,aq 0.16144E-06 -6.7920 0.16144E-06 -6.7920 0.10000E+01 0.0000 32 AgCl2- 0.26897E-10 -10.5703 0.18264E-10 -10.7384 0.67903E+00 -0.1681 38 Ag(HS),aq 0.91312E-09 -9.0395 0.91312E-09 -9.0395 0.10000E+01 0.0000 40 AlO+ 0.86335E-10 -10.0638 0.58502E-10 -10.2328 0.67761E+00 -0.1690 41 AlOH+2 0.89633E-10 -10.0475 0.18771E-10 -10.7265 0.20942E+00 -0.6790 42 HAlO2,aq 0.22086E-09 -9.6559 0.22086E-09 -9.6559 0.10000E+01 0.0000 43 AlO2- 0.18993E-10 -10.7214 0.12988E-10 -10.8864 0.68385E+00 -0.1650 44 AsO2- 0.39751E-08 -8.4007 0.26992E-08 -8.5688 0.67903E+00 -0.1681 45 HAsO2,aq 0.13960E-04 -4.8551 0.13960E-04 -4.8551 0.10000E+01 0.0000 46 H3AsO3,aq 0.16164E-04 -4.7914 0.16164E-04 -4.7914 0.10000E+01 0.0000 63 Ba(HCO3)+ 0.24312E-07 -7.6142 0.16517E-07 -7.7821 0.67936E+00 -0.1679 64 BaCl+ 0.43513E-07 -7.3614 0.29485E-07 -7.5304 0.67761E+00 -0.1690 65 BaF+ 0.76405E-10 -10.1169 0.51773E-10 -10.2859 0.67761E+00 -0.1690 66 CH4,aq 0.13374E-10 -10.8737 0.12541E-10 -10.9017 0.93777E+00 -0.0279 72 CO2,aq 0.75114E-01 -1.1243 0.70440E-01 -1.1522 0.93777E+00 -0.0279 73 CO3-2 0.16889E-06 -6.7724 0.36420E-07 -7.4387 0.21564E+00 -0.6663 74 CaCO3,aq 0.16743E-07 -7.7762 0.16743E-07 -7.7762 0.10000E+01 0.0000 75 Ca(HCO3)+ 0.84046E-05 -5.0755 0.56951E-05 -5.2445 0.67761E+00 -0.1690 76 CaCl+ 0.26830E-04 -4.5714 0.18180E-04 -4.7404 0.67761E+00 -0.1690 77 CaCl2,aq 0.98646E-06 -6.0059 0.98646E-06 -6.0059 0.10000E+01 0.0000 78 CaF+ 0.25307E-06 -6.5968 0.17149E-06 -6.7658 0.67761E+00 -0.1690 79 CaOH+ 0.54660E-10 -10.2623 0.37038E-10 -10.4313 0.67761E+00 -0.1690 80 CaSO4,aq 0.15549E-06 -6.8083 0.15549E-06 -6.8083 0.10000E+01 0.0000 81 HCl,aq 0.79924E-06 -6.0973 0.79924E-06 -6.0973 0.10000E+01 0.0000 91 CuCl2- 0.32248E-10 -10.4915 0.21897E-10 -10.6596 0.67903E+00 -0.1681 98 HF,aq 0.10248E-04 -4.9894 0.10248E-04 -4.9894 0.10000E+01 0.0000 99 HF2- 0.98321E-09 -9.0074 0.66763E-09 -9.1755 0.67903E+00 -0.1681 101 FeCl+ 0.22231E-07 -7.6530 0.15064E-07 -7.8221 0.67761E+00 -0.1690 104 FeF+ 0.81192E-09 -9.0905 0.55017E-09 -9.2595 0.67761E+00 -0.1690 107 FeOH+ 0.51976E-10 -10.2842 0.35220E-10 -10.4532 0.67761E+00 -0.1690 113 H2,aq 0.19254E-09 -9.7155 0.18056E-09 -9.7434 0.93777E+00 -0.0279 114 KCl,aq 0.11843E-04 -4.9265 0.11843E-04 -4.9265 0.10000E+01 0.0000 116 KOH,aq 0.42092E-10 -10.3758 0.42092E-10 -10.3758 0.10000E+01 0.0000 117 KSO4- 0.98687E-06 -6.0057 0.67011E-06 -6.1739 0.67903E+00 -0.1681 118 MgCO3,aq 0.41499E-09 -9.3820 0.41499E-09 -9.3820 0.10000E+01 0.0000 119 Mg(HCO3)+ 0.68340E-06 -6.1653 0.46308E-06 -6.3343 0.67761E+00 -0.1690 120 MgCl+ 0.23599E-05 -5.6271 0.15991E-05 -5.7961 0.67761E+00 -0.1690 121 MgF+ 0.82221E-07 -7.0850 0.55714E-07 -7.2540 0.67761E+00 -0.1690 122 MgOH+ 0.33214E-10 -10.4787 0.22506E-10 -10.6477 0.67761E+00 -0.1690 124 MnF+ 0.50370E-08 -8.2978 0.34131E-08 -8.4669 0.67761E+00 -0.1690 126 MnOH+ 0.79774E-10 -10.0981 0.54056E-10 -10.2672 0.67761E+00 -0.1690 131 MnCl+ 0.10522E-05 -5.9779 0.71300E-06 -6.1469 0.67761E+00 -0.1690 132 MnSO4,aq 0.19532E-08 -8.7093 0.19532E-08 -8.7093 0.10000E+01 0.0000 133 NaCl,aq 0.11536E-01 -1.9379 0.11536E-01 -1.9379 0.10000E+01 0.0000 134 NaF,aq 0.78983E-05 -5.1025 0.78983E-05 -5.1025 0.10000E+01 0.0000 135 NaOH,aq 0.16990E-08 -8.7698 0.16990E-08 -8.7698 0.10000E+01 0.0000 137 OH- 0.18226E-07 -7.7393 0.12464E-07 -7.9043 0.68385E+00 -0.1650 140 PbCl+ 0.98226E-09 -9.0078 0.66559E-09 -9.1768 0.67761E+00 -0.1690 141 PbCl2,aq 0.64278E-09 -9.1919 0.64278E-09 -9.1919 0.10000E+01 0.0000 142 PbCl3- 0.92053E-10 -10.0360 0.62507E-10 -10.2041 0.67903E+00 -0.1681 143 PbCl4-2 0.21215E-10 -10.6733 0.45750E-11 -11.3396 0.21564E+00 -0.6663 150 H2S,aq 0.12561E-05 -5.9010 0.11779E-05 -5.9289 0.93777E+00 -0.0279 159 HSO4- 0.52004E-07 -7.2840 0.35418E-07 -7.4508 0.68107E+00 -0.1668 173 ZnCl+ 0.10363E-06 -6.9845 0.70223E-07 -7.1535 0.67761E+00 -0.1690 174 ZnCl2,aq 0.10274E-07 -7.9883 0.10274E-07 -7.9883 0.10000E+01 0.0000 175 ZnCl3- 0.74546E-09 -9.1276 0.50619E-09 -9.2957 0.67903E+00 -0.1681 176 ZnF+ 0.12861E-09 -9.8907 0.87148E-10 -10.0597 0.67761E+00 -0.1690 178 ZnOH+ 0.10775E-08 -8.9676 0.73014E-09 -9.1366 0.67761E+00 -0.1690 Charge balance for all species = -.3013E-04 Component Molality Aq.molality ppm log[A(N)/A(H+)**Z] (total) 1 H+ 0.2251667E-04 0.7517855E-01 0.7392253E+02 0.0000 2 H2O 0.1000000E+01 0.5543312E+02 0.9742244E+06 0.0000 3 Cl- 0.3476132E+00 0.3591946E+00 0.1242313E+05 4.1725 4 SO4-- 0.4264786E-04 0.4384411E-04 0.4108745E+01 4.5649 5 HCO3- 0.6209889E-02 0.8133316E-01 0.4841368E+04 2.4247 6 HS- 0.3542166E-07 0.1292481E-05 0.4169967E-01 -2.8194 7 H4SiO4 0.5900985E-03 0.5903056E-03 0.5535005E+02 -3.2291 8 Al+++ 0.1137580E-09 0.5295759E-09 0.1393935E-04 2.9546 9 Ca++ 0.4526669E-03 0.4893134E-03 0.1913116E+02 5.5773 10 Mg++ 0.3679880E-04 0.3992476E-04 0.9469155E+00 4.4843 11 Fe++ 0.3416562E-06 0.3647515E-06 0.1987216E-01 2.4525 12 K+ 0.1055246E-01 0.1056529E-01 0.4030217E+03 2.6537 13 Na+ 0.3426294E+00 0.3541738E+00 0.7943279E+04 4.1641 14 Mn++ 0.6954170E-05 0.8013458E-05 0.4294780E+00 3.7617 15 Zn++ 0.9282537E-07 0.2086840E-06 0.1330809E-01 1.8866 16 Cu+ 0.4875050E-14 0.3985618E-10 0.2470536E-05 -9.6828 17 Pb++ 0.3687298E-09 0.2111041E-08 0.4266911E-03 -0.5088 18 Ag+ 0.1079213E-13 0.9463036E-09 0.9958165E-04 -9.3369 19 Au+ 0.5861153E-26 0.1300200E-12 0.2498341E-07 -21.6015 20 Ba++ 0.8767718E-06 0.9446814E-06 0.1265699E+00 2.8698 21 F- 0.3599024E-03 0.3783920E-03 0.7012907E+01 1.1919 22 H2AsO3- 0.3736378E-08 0.3013200E-04 0.3672507E+01 -3.7733 Component Tot moles Aq. moles Solid moles Gas moles 1 H+ 0.3234352E+00 0.3234484E+00 -.1324555E-04 0.0000000E+00 2 H2O 0.2384951E+03 0.2384956E+03 -.5416291E-03 0.0000000E+00 3 Cl- 0.1545400E+01 0.1545400E+01 0.0000000E+00 0.0000000E+00 4 SO4-- 0.1886393E-03 0.1886350E-03 0.4249119E-08 0.0000000E+00 5 HCO3- 0.3499280E+00 0.3499280E+00 0.0000000E+00 0.0000000E+00 6 HS- 0.1403031E-04 0.5560772E-05 0.8469539E-05 0.0000000E+00 7 H4SiO4 0.2811741E-02 0.2539732E-02 0.2720085E-03 0.0000000E+00 8 Al+++ 0.2407279E-05 0.2278449E-08 0.2405000E-05 0.0000000E+00 9 Ca++ 0.2105223E-02 0.2105223E-02 0.0000000E+00 0.0000000E+00 10 Mg++ 0.1717724E-03 0.1717724E-03 0.0000000E+00 0.0000000E+00 11 Fe++ 0.1603305E-05 0.1569308E-05 0.3399713E-07 0.0000000E+00 12 K+ 0.4545612E-01 0.4545612E-01 0.0000000E+00 0.0000000E+00 13 Na+ 0.1523798E+01 0.1523798E+01 0.0000000E+00 0.0000000E+00 14 Mn++ 0.3447712E-04 0.3447712E-04 0.0000000E+00 0.0000000E+00 15 Zn++ 0.7468176E-05 0.8978427E-06 0.6570334E-05 0.0000000E+00 16 Cu+ 0.1701571E-06 0.1714774E-09 0.1699856E-06 0.0000000E+00 17 Pb++ 0.1565021E-05 0.9082549E-08 0.1555938E-05 0.0000000E+00 18 Ag+ 0.4271281E-06 0.4071379E-08 0.4230567E-06 0.0000000E+00 19 Au+ 0.3110961E-11 0.5593983E-12 0.2551562E-11 0.0000000E+00 20 Ba++ 0.4064400E-05 0.4064400E-05 0.0000000E+00 0.0000000E+00 21 F- 0.1630400E-02 0.1627995E-02 0.2405000E-05 0.0000000E+00 22 H2AsO3- 0.1296400E-03 0.1296400E-03 0.0000000E+00 0.0000000E+00 Chg. balance for solid moles: 0.4235E-21 Mass of aqueous solution: 0.441025E+04 g Temperature = 67.22 C Pressure = 500.00 bar Mixer frac. = 3.3000000 Log Log Vol Gas or mineral Moles Moles Grams Grams Wt.% (cm3) quartz 0.2708E-03 -3.567 0.1627E-01 -1.789 92.58 0.6144E-02 argentite 0.2115E-06 -6.675 0.5242E-04 -4.281 0.2983 0.7361E-05 bornite 0.3400E-07 -7.469 0.1706E-04 -4.768 0.9708E-01 0.3356E-05 topaz 0.1203E-05 -5.920 0.2213E-03 -3.655 1.259 0.6196E-04 galena 0.1556E-05 -5.808 0.3723E-03 -3.429 2.118 0.4899E-04 gold,native 0.2552E-11 -11.593 0.5026E-09 -9.299 0.2860E-05 0.2606E-10 silver,native 0.1627E-11 -11.789 0.1755E-09 -9.756 0.9987E-06 0.1671E-10 sphalerite 0.6570E-05 -5.182 0.6401E-03 -3.194 3.643 0.1566E-03 Partial press. Fugacity coef Log fugacity Gas or Mineral Mole fraction or activity Activity coef Log activity quartz 0.1000E+01 0.1000E+01 1.0000 0.000 argentite 0.1000E+01 0.1000E+01 1.0000 0.000 bornite 0.1000E+01 0.1000E+01 1.0000 0.000 topaz 0.1000E+01 0.1000E+01 1.0000 0.000 galena 0.1000E+01 0.1000E+01 1.0000 0.000 gold,native 0.6106E+00 0.2846E+00 0.4661 -0.546 silver,native 0.3894E+00 0.3833E-01 0.0984 -1.416 sphalerite 0.1000E+01 0.1000E+01 1.0000 0.000 Total fraction of mixing solution added: 3.3000000 Solid products produced: Mass = 0.017573 g Volume = 0.006422 cm3 WARNING: mineral volume may be in error because some mineral densities were not supplied in SOLTHERM. See mineral list in file Skip_Species.txt. Gas composition at saturation ( 3 iterations) ------------------------------------------------- Temperature: 67.2175 deg.C Sat. pressure: 10.6681 bar Gas Mole fraction phi Fugacity Partial P(bar) H2O,gas 0.3665E-01 0.9371 0.3664E+00 0.3910E+00 CO2,gas 0.9633E+00 0.9583 0.9848E+01 0.1028E+02 CH4,gas 0.3186E-08 1.0076 0.3425E-07 0.3399E-07 H2,gas 0.3717E-07 1.0062 0.3990E-06 0.3965E-06 H2S,gas 0.3994E-05 0.9489 0.4044E-04 0.4261E-04 S2,gas 0.1838E-18 1.0000 0.1961E-17 0.1961E-17 CO,gas 0.7610E-10 1.0000 0.8118E-09 0.8118E-09 SO3,gas 0.3683E-34 1.0000 0.3929E-33 0.3929E-33 O2,gas 0.2236E-58 1.0000 0.2385E-57 0.2385E-57 SO2,gas 0.1337E-15 1.0000 0.1426E-14 0.1426E-14 HF,gas 0.7003E-09 1.0000 0.7471E-08 0.7471E-08 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 148 quartz -3.22 -3.22 0.00 0.000 0.00000E+00 197 argentite -31.09 -31.09 0.00 0.000 0.00000E+00 206 bornite -95.91 -95.91 0.00 0.000 -0.22133E-10 226 topaz -14.13 -14.13 0.00 0.000 0.55332E-11 261 galena -12.93 -12.93 0.00 0.000 0.00000E+00 262 gold,native -20.78 -20.78 0.00 0.000 0.55332E-11 263 silver,native -7.65 -7.65 0.00 0.000 -0.96832E-11 273 sphalerite -10.53 -10.53 0.00 0.000 0.27666E-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 1 H2O,gas 3.13 -0.01 -3.13 -3.135 0.48826E+04 -0.436 2 CO2,gas -5.46 -7.17 -1.71 -0.569 0.26564E+04 0.993 3 CH4,gas 5.20 -4.96 -10.16 -2.541 0.15831E+05 -7.465 4 H2,gas 9.65 0.55 -9.10 -5.199 0.14170E+05 -6.399 5 H2S,gas -5.33 -12.42 -7.09 -3.546 0.11046E+05 -4.393 6 S2,gas -5.53 -25.93 -20.41 -3.139 0.31782E+05 -17.707 7 CO,gas 5.17 -6.62 -11.79 -3.628 0.18362E+05 -9.091 8 SO3,gas 21.48 -14.63 -36.10 -9.026 0.56232E+05 -33.406 9 O2,gas 59.21 -1.11 -60.32 -40.214 0.93949E+05 -57.622 10 SO2,gas 3.47 -14.07 -17.54 -4.679 0.27326E+05 -14.846 11 HF,gas 2.42 -8.41 -10.83 -5.413 0.16860E+05 -8.127 12 HCl,gas 4.48 -5.43 -9.91 -4.955 0.15434E+05 -9.909 17 albite-high 2.35 -2.55 -4.90 -0.377 0.76257E+04 18 albite 1.08 -2.55 -3.63 -0.279 0.56501E+04 22 analcite 5.05 0.67 -4.38 -0.487 0.68245E+04 26 anhydrite -4.47 -9.06 -4.59 -2.294 0.71460E+04 34 aragonite 1.59 -1.60 -3.19 -1.064 0.49710E+04 36 calcite 1.46 -1.60 -3.05 -1.018 0.47574E+04 53 coesite -2.57 -3.22 -0.65 -0.217 0.10127E+04 60 cristobalite -2.68 -3.22 -0.54 -0.180 0.84056E+03 65 diaspore 4.45 2.94 -1.51 -0.252 0.23524E+04 66 diamond -3.66 -6.06 -2.40 -0.686 0.37401E+04 83 gibbsite 5.63 2.94 -2.69 -0.384 0.41860E+04 87 graphite -4.12 -6.06 -1.95 -0.556 0.30318E+04 90 halite 1.67 -1.26 -2.93 -1.467 0.45681E+04 99 kaolinite 1.13 -0.55 -1.69 -0.153 0.26289E+04 107 magnesite 1.54 -2.69 -4.23 -1.412 0.65951E+04 117 microcline -1.39 -4.06 -2.67 -0.206 0.41631E+04 121 muscovite 6.81 1.83 -4.98 -0.293 0.77539E+04 143 pyrite -22.25 -22.93 -0.68 -0.160 0.10574E+04 145 pyrrhotiteFe0.875 -5.85 -10.34 -4.49 -1.652 0.69964E+04 147 pyrophyllite -3.88 -6.99 -3.10 -0.194 0.48314E+04 153 rhodochrosite -0.48 -3.41 -2.94 -0.979 0.45723E+04 155 sanidine -0.06 -4.06 -4.00 -0.308 0.62301E+04 157 siderite -2.06 -4.72 -2.66 -0.887 0.41439E+04 171 sulfur -9.50 -12.97 -3.47 -1.067 0.54000E+04 172 sylvite 1.29 -2.77 -4.06 -2.030 0.63219E+04 180 topaz-H 7.65 2.67 -4.98 -0.453 0.77618E+04 181 tridymite -2.77 -3.22 -0.45 -0.151 0.70535E+03 198 arsenic -8.04 -12.53 -4.50 -1.161 0.70046E+04 208 chalcedony -3.01 -3.22 -0.21 -0.068 0.31966E+03 209 chalcocite -30.52 -31.78 -1.27 -0.317 0.19729E+04 211 covellite -21.59 -22.38 -0.78 -0.297 0.12158E+04 212 dawsonite 2.97 -0.07 -3.04 -0.380 0.47346E+04 230 gypsum -4.44 -9.07 -4.63 -1.157 0.72074E+04 246 acanthite -31.04 -31.09 -0.05 -0.012 0.77512E+02 252 barite -9.22 -11.76 -2.55 -1.273 0.39649E+04 253 boehmite 6.22 2.94 -3.28 -0.547 0.51080E+04 254 cerussite -2.75 -7.68 -4.93 -1.645 0.76853E+04 255 chalcopyrite -30.29 -32.34 -2.05 -0.381 0.31887E+04 260 fluorite -9.56 -11.24 -1.68 -0.560 0.26175E+04 270 silica-amorphous -2.14 -3.22 -1.08 -0.359 0.16794E+04 274 wurtzite -8.52 -10.53 -2.01 -0.671 0.31351E+04 Calculations done for 67.2175 Deg. C; 500.0000 bar Mixer fraction: 3.3000000 Temperature Stoc.ionic strength Heat per mole Actual solution: 67.217 .40455E+00 1.388 Mixing solution: 25.000 .50000E-10 0.646 Fract. of mixing solution added: 0.100000 BITMOL = 0.5551E+01 OLDMOL = 0.2402E+03 New heat: 1.371 New temperature: 66.266 New mixer fraction: 3.4000000 Resulting temperature: 66.266Deg. C Solids and gases carried Charge balance check after fractionation or titration: TBAL = -.1296E-03 ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ Test file for CHIM-XPT. Mixing of cold water into metal bearing water starting at 199.97 C. Illustrates fluid-fluid mixing. CHIMRUN demo-3 ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ Number of loops used = 7 Loop limit = 70 Temperature = 66.27 C Pressure = 500.00 bar Mixer fraction = 3.4000000 Water: Moles liquid = 0.2444E+03 kg liquid = 0.4402E+01 Moles total = 0.2440E+03 kg total = 0.4397E+01 Activity = 0.9884 Stoichiometric ionic strength = .3953496E+00 Osmotic coef. = 0.9251 True ionic strength = .3470242E+00 Chg. balance for total moles = -.1296E-03 Max. difference allowed = 0.1545E-03 Log Log Log Species(n) Molality Molality Activity Activity Gamma Gamma 1 H+ 0.22483E-04 -4.6481 0.15880E-04 -4.7992 0.70630E+00 -0.1510 2 H2O 0.98837E+00 -0.0051 0.98837E+00 -0.0051 3 Cl- 0.34000E+00 -0.4685 0.23143E+00 -0.6356 0.68067E+00 -0.1671 4 SO4-- 0.41700E-04 -4.3799 0.91504E-05 -5.0386 0.21943E+00 -0.6587 5 HCO3- 0.60693E-02 -2.2169 0.41329E-02 -2.3837 0.68096E+00 -0.1669 6 HS- 0.34071E-07 -7.4676 0.23189E-07 -7.6347 0.68060E+00 -0.1671 7 H4SiO4 0.57802E-03 -3.2381 0.57802E-03 -3.2381 0.10000E+01 0.0000 8 Al+++ 0.12139E-09 -9.9158 0.39495E-11 -11.4035 0.32537E-01 -1.4876 9 Ca++ 0.44318E-03 -3.3534 0.94306E-04 -4.0255 0.21279E+00 -0.6720 10 Mg++ 0.36018E-04 -4.4435 0.76121E-05 -5.1185 0.21134E+00 -0.6750 11 Fe++ 0.33432E-06 -6.4758 0.70734E-07 -7.1504 0.21157E+00 -0.6745 12 K+ 0.10313E-01 -1.9866 0.70020E-02 -2.1548 0.67893E+00 -0.1682 13 Na+ 0.33513E+00 -0.4748 0.22699E+00 -0.6440 0.67732E+00 -0.1692 14 Mn++ 0.68284E-05 -5.1657 0.14463E-05 -5.8397 0.21180E+00 -0.6741 15 Zn++ 0.92480E-07 -7.0340 0.19566E-07 -7.7085 0.21157E+00 -0.6745 16 Cu+ 0.44676E-14 -14.3499 0.30260E-14 -14.5191 0.67731E+00 -0.1692 17 Pb++ 0.35097E-09 -9.4547 0.75201E-10 -10.1238 0.21426E+00 -0.6691 18 Ag+ 0.98399E-14 -14.0070 0.66758E-14 -14.1755 0.67844E+00 -0.1685 19 Au+ 0.49794E-26 -26.3028 0.33822E-26 -26.4708 0.67924E+00 -0.1680 20 Ba++ 0.85889E-06 -6.0661 0.18503E-06 -6.7328 0.21542E+00 -0.6667 21 F- 0.35210E-03 -3.4533 0.24201E-03 -3.6162 0.68734E+00 -0.1628 22 H2AsO3- 0.35256E-08 -8.4528 0.25277E-08 -8.5973 0.71695E+00 -0.1445 24 HSiO3- 0.43615E-07 -7.3604 0.29688E-07 -7.5274 0.68067E+00 -0.1671 25 Ca(HSiO3)+ 0.52916E-10 -10.2764 0.35943E-10 -10.4444 0.67924E+00 -0.1680 27 NaHSiO3,aq 0.15438E-06 -6.8114 0.15438E-06 -6.8114 0.10000E+01 0.0000 32 AgCl2- 0.24003E-10 -10.6197 0.16338E-10 -10.7868 0.68067E+00 -0.1671 38 Ag(HS),aq 0.88512E-09 -9.0530 0.88512E-09 -9.0530 0.10000E+01 0.0000 40 AlO+ 0.85600E-10 -10.0675 0.58143E-10 -10.2355 0.67924E+00 -0.1680 41 AlOH+2 0.92063E-10 -10.0359 0.19529E-10 -10.7093 0.21212E+00 -0.6734 42 HAlO2,aq 0.21039E-09 -9.6770 0.21039E-09 -9.6770 0.10000E+01 0.0000 43 AlO2- 0.17538E-10 -10.7560 0.12022E-10 -10.9200 0.68548E+00 -0.1640 44 AsO2- 0.38012E-08 -8.4201 0.25873E-08 -8.5871 0.68067E+00 -0.1671 45 HAsO2,aq 0.13689E-04 -4.8636 0.13689E-04 -4.8636 0.10000E+01 0.0000 46 H3AsO3,aq 0.15751E-04 -4.8027 0.15751E-04 -4.8027 0.10000E+01 0.0000 63 Ba(HCO3)+ 0.22881E-07 -7.6405 0.15582E-07 -7.8074 0.68097E+00 -0.1669 64 BaCl+ 0.41370E-07 -7.3833 0.28101E-07 -7.5513 0.67924E+00 -0.1680 65 BaF+ 0.72931E-10 -10.1371 0.49538E-10 -10.3051 0.67924E+00 -0.1680 66 CH4,aq 0.12815E-10 -10.8923 0.12029E-10 -10.9198 0.93870E+00 -0.0275 72 CO2,aq 0.73407E-01 -1.1343 0.68908E-01 -1.1617 0.93870E+00 -0.0275 73 CO3-2 0.16250E-06 -6.7892 0.35479E-07 -7.4500 0.21834E+00 -0.6609 74 CaCO3,aq 0.15822E-07 -7.8007 0.15822E-07 -7.8007 0.10000E+01 0.0000 75 Ca(HCO3)+ 0.80481E-05 -5.0943 0.54666E-05 -5.2623 0.67924E+00 -0.1680 76 CaCl+ 0.25626E-04 -4.5913 0.17406E-04 -4.7593 0.67924E+00 -0.1680 77 CaCl2,aq 0.93204E-06 -6.0306 0.93204E-06 -6.0306 0.10000E+01 0.0000 78 CaF+ 0.24181E-06 -6.6165 0.16425E-06 -6.7845 0.67924E+00 -0.1680 79 CaOH+ 0.50121E-10 -10.3000 0.34044E-10 -10.4680 0.67924E+00 -0.1680 80 CaSO4,aq 0.15082E-06 -6.8215 0.15082E-06 -6.8215 0.10000E+01 0.0000 81 HCl,aq 0.78503E-06 -6.1051 0.78503E-06 -6.1051 0.10000E+01 0.0000 91 CuCl2- 0.28683E-10 -10.5424 0.19524E-10 -10.7094 0.68067E+00 -0.1671 98 HF,aq 0.98577E-05 -5.0062 0.98577E-05 -5.0062 0.10000E+01 0.0000 99 HF2- 0.92147E-09 -9.0355 0.62722E-09 -9.2026 0.68067E+00 -0.1671 101 FeCl+ 0.21313E-07 -7.6714 0.14477E-07 -7.8393 0.67924E+00 -0.1680 104 FeF+ 0.78028E-09 -9.1077 0.53000E-09 -9.2757 0.67924E+00 -0.1680 107 FeOH+ 0.48841E-10 -10.3112 0.33175E-10 -10.4792 0.67924E+00 -0.1680 113 H2,aq 0.18002E-09 -9.7447 0.16898E-09 -9.7722 0.93870E+00 -0.0275 114 KCl,aq 0.11117E-04 -4.9540 0.11117E-04 -4.9540 0.10000E+01 0.0000 116 KOH,aq 0.38967E-10 -10.4093 0.38967E-10 -10.4093 0.10000E+01 0.0000 117 KSO4- 0.94532E-06 -6.0244 0.64345E-06 -6.1915 0.68067E+00 -0.1671 118 MgCO3,aq 0.39496E-09 -9.4034 0.39496E-09 -9.4034 0.10000E+01 0.0000 119 Mg(HCO3)+ 0.65398E-06 -6.1844 0.44421E-06 -6.3524 0.67924E+00 -0.1680 120 MgCl+ 0.22665E-05 -5.6447 0.15395E-05 -5.8126 0.67924E+00 -0.1680 121 MgF+ 0.78779E-07 -7.1036 0.53510E-07 -7.2716 0.67924E+00 -0.1680 122 MgOH+ 0.30782E-10 -10.5117 0.20909E-10 -10.6797 0.67924E+00 -0.1680 124 MnF+ 0.48473E-08 -8.3145 0.32925E-08 -8.4825 0.67924E+00 -0.1680 126 MnOH+ 0.74678E-10 -10.1268 0.50725E-10 -10.2948 0.67924E+00 -0.1680 131 MnCl+ 0.99620E-06 -6.0017 0.67666E-06 -6.1696 0.67924E+00 -0.1680 132 MnSO4,aq 0.18930E-08 -8.7229 0.18930E-08 -8.7229 0.10000E+01 0.0000 133 NaCl,aq 0.10989E-01 -1.9590 0.10989E-01 -1.9590 0.10000E+01 0.0000 134 NaF,aq 0.75114E-05 -5.1243 0.75114E-05 -5.1243 0.10000E+01 0.0000 135 NaOH,aq 0.15838E-08 -8.8003 0.15838E-08 -8.8003 0.10000E+01 0.0000 137 OH- 0.17340E-07 -7.7610 0.11886E-07 -7.9250 0.68548E+00 -0.1640 140 PbCl+ 0.91577E-09 -9.0382 0.62203E-09 -9.2062 0.67924E+00 -0.1680 141 PbCl2,aq 0.58463E-09 -9.2331 0.58463E-09 -9.2331 0.10000E+01 0.0000 142 PbCl3- 0.81680E-10 -10.0879 0.55597E-10 -10.2549 0.68067E+00 -0.1671 143 PbCl4-2 0.18368E-10 -10.7359 0.40105E-11 -11.3968 0.21834E+00 -0.6609 150 H2S,aq 0.12251E-05 -5.9118 0.11500E-05 -5.9393 0.93870E+00 -0.0275 159 HSO4- 0.49833E-07 -7.3025 0.34019E-07 -7.4683 0.68266E+00 -0.1658 173 ZnCl+ 0.97244E-07 -7.0121 0.66052E-07 -7.1801 0.67924E+00 -0.1680 174 ZnCl2,aq 0.95280E-08 -8.0210 0.95280E-08 -8.0210 0.10000E+01 0.0000 175 ZnCl3- 0.68426E-09 -9.1648 0.46576E-09 -9.3318 0.68067E+00 -0.1671 176 ZnF+ 0.12561E-09 -9.9010 0.85318E-10 -10.0690 0.67924E+00 -0.1680 178 ZnOH+ 0.10075E-08 -8.9968 0.68432E-09 -9.1647 0.67924E+00 -0.1680 Charge balance for all species = -.2944E-04 Component Molality Aq.molality ppm log[A(N)/A(H+)**Z] (total) 1 H+ 0.2248296E-04 0.7347089E-01 0.7228354E+02 0.0000 2 H2O 0.1000000E+01 0.5543483E+02 0.9747958E+06 0.0000 3 Cl- 0.3400035E+00 0.3510356E+00 0.1214769E+05 4.1636 4 SO4-- 0.4170039E-04 0.4284820E-04 0.4017647E+01 4.5598 5 HCO3- 0.6069342E-02 0.7948569E-01 0.4734026E+04 2.4154 6 HS- 0.3407073E-07 0.1260132E-05 0.4067859E-01 -2.8356 7 H4SiO4 0.5780216E-03 0.5782196E-03 0.5424694E+02 -3.2381 8 Al+++ 0.1213857E-09 0.5269744E-09 0.1387858E-04 2.9940 9 Ca++ 0.4431841E-03 0.4781988E-03 0.1870699E+02 5.5729 10 Mg++ 0.3601822E-04 0.3901788E-04 0.9259207E+00 4.4798 11 Fe++ 0.3343236E-06 0.3564656E-06 0.1943152E-01 2.4480 12 K+ 0.1031323E-01 0.1032530E-01 0.3940860E+03 2.6444 13 Na+ 0.3351319E+00 0.3461288E+00 0.7767162E+04 4.1552 14 Mn++ 0.6828417E-05 0.7831433E-05 0.4199558E+00 3.7586 15 Zn++ 0.9248024E-07 0.2010692E-06 0.1282961E-01 1.8898 16 Cu+ 0.4467618E-14 0.3552498E-10 0.2203284E-05 -9.7200 17 Pb++ 0.3509732E-09 0.1955184E-08 0.3954083E-03 -0.5255 18 Ag+ 0.9839890E-14 0.9146814E-09 0.9630747E-04 -9.3763 19 Au+ 0.4979378E-26 0.1220751E-12 0.2346984E-07 -21.6716 20 Ba++ 0.8588912E-06 0.9232232E-06 0.1237637E+00 2.8656 21 F- 0.3520997E-03 0.3697969E-03 0.6857418E+01 1.1830 22 H2AsO3- 0.3525591E-08 0.2944756E-04 0.3591081E+01 -3.7981 Component Tot moles Aq. moles Solid moles Gas moles 1 H+ 0.3234352E+00 0.3234484E+00 -.1325863E-04 0.0000000E+00 2 H2O 0.2440459E+03 0.2440464E+03 -.5299828E-03 0.0000000E+00 3 Cl- 0.1545400E+01 0.1545400E+01 0.0000000E+00 0.0000000E+00 4 SO4-- 0.1886393E-03 0.1886350E-03 0.4249492E-08 0.0000000E+00 5 HCO3- 0.3499280E+00 0.3499280E+00 0.0000000E+00 0.0000000E+00 6 HS- 0.1403031E-04 0.5547607E-05 0.8482703E-05 0.0000000E+00 7 H4SiO4 0.2811741E-02 0.2545556E-02 0.2661854E-03 0.0000000E+00 8 Al+++ 0.2407279E-05 0.2319953E-08 0.2404959E-05 0.0000000E+00 9 Ca++ 0.2105223E-02 0.2105223E-02 0.0000000E+00 0.0000000E+00 10 Mg++ 0.1717724E-03 0.1717724E-03 0.0000000E+00 0.0000000E+00 11 Fe++ 0.1603305E-05 0.1569305E-05 0.3400015E-07 0.0000000E+00 12 K+ 0.4545612E-01 0.4545612E-01 0.0000000E+00 0.0000000E+00 13 Na+ 0.1523798E+01 0.1523798E+01 0.0000000E+00 0.0000000E+00 14 Mn++ 0.3447712E-04 0.3447712E-04 0.0000000E+00 0.0000000E+00 15 Zn++ 0.7468176E-05 0.8851874E-06 0.6582989E-05 0.0000000E+00 16 Cu+ 0.1701571E-06 0.1563952E-09 0.1700007E-06 0.0000000E+00 17 Pb++ 0.1565021E-05 0.8607505E-08 0.1556413E-05 0.0000000E+00 18 Ag+ 0.4271281E-06 0.4026796E-08 0.4231013E-06 0.0000000E+00 19 Au+ 0.3110961E-11 0.5374238E-12 0.2573537E-11 0.0000000E+00 20 Ba++ 0.4064400E-05 0.4064400E-05 0.0000000E+00 0.0000000E+00 21 F- 0.1630400E-02 0.1627995E-02 0.2404959E-05 0.0000000E+00 22 H2AsO3- 0.1296400E-03 0.1296400E-03 0.0000000E+00 0.0000000E+00 Chg. balance for solid moles: -.4235E-21 Mass of aqueous solution: 0.451025E+04 g Temperature = 66.27 C Pressure = 500.00 bar Mixer frac. = 3.4000000 Log Log Vol Gas or mineral Moles Moles Grams Grams Wt.% (cm3) quartz 0.2650E-03 -3.577 0.1592E-01 -1.798 92.43 0.6012E-02 argentite 0.2115E-06 -6.675 0.5242E-04 -4.280 0.3043 0.7362E-05 bornite 0.3400E-07 -7.469 0.1706E-04 -4.768 0.9905E-01 0.3357E-05 topaz 0.1202E-05 -5.920 0.2213E-03 -3.655 1.285 0.6196E-04 galena 0.1556E-05 -5.808 0.3724E-03 -3.429 2.162 0.4901E-04 gold,native 0.2574E-11 -11.589 0.5069E-09 -9.295 0.2943E-05 0.2629E-10 silver,native 0.1633E-11 -11.787 0.1762E-09 -9.754 0.1023E-05 0.1678E-10 sphalerite 0.6583E-05 -5.182 0.6414E-03 -3.193 3.724 0.1569E-03 Partial press. Fugacity coef Log fugacity Gas or Mineral Mole fraction or activity Activity coef Log activity quartz 0.1000E+01 0.1000E+01 1.0000 0.000 argentite 0.1000E+01 0.1000E+01 1.0000 0.000 bornite 0.1000E+01 0.1000E+01 1.0000 0.000 topaz 0.1000E+01 0.1000E+01 1.0000 0.000 galena 0.1000E+01 0.1000E+01 1.0000 0.000 gold,native 0.6118E+00 0.2859E+00 0.4673 -0.544 silver,native 0.3882E+00 0.3765E-01 0.0970 -1.424 sphalerite 0.1000E+01 0.1000E+01 1.0000 0.000 Total fraction of mixing solution added: 3.4000000 Solid products produced: Mass = 0.017225 g Volume = 0.006291 cm3 WARNING: mineral volume may be in error because some mineral densities were not supplied in SOLTHERM. See mineral list in file Skip_Species.txt. Gas composition at saturation ( 3 iterations) ------------------------------------------------- Temperature: 66.2664 deg.C Sat. pressure: 10.2804 bar Gas Mole fraction phi Fugacity Partial P(bar) H2O,gas 0.3644E-01 0.9392 0.3518E+00 0.3746E+00 CO2,gas 0.9636E+00 0.9593 0.9503E+01 0.9906E+01 CH4,gas 0.3158E-08 1.0074 0.3271E-07 0.3247E-07 H2,gas 0.3618E-07 1.0060 0.3742E-06 0.3720E-06 H2S,gas 0.3994E-05 0.9504 0.3903E-04 0.4106E-04 S2,gas 0.1708E-18 1.0000 0.1755E-17 0.1755E-17 CO,gas 0.7149E-10 1.0000 0.7350E-09 0.7350E-09 SO3,gas 0.2983E-34 1.0000 0.3066E-33 0.3066E-33 O2,gas 0.1507E-58 1.0000 0.1549E-57 0.1549E-57 SO2,gas 0.1218E-15 1.0000 0.1252E-14 0.1252E-14 HF,gas 0.6677E-09 1.0000 0.6864E-08 0.6864E-08 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 148 quartz -3.23 -3.23 0.00 0.000 0.00000E+00 197 argentite -31.19 -31.19 0.00 0.000 0.00000E+00 206 bornite -96.16 -96.16 0.00 0.000 -0.22071E-10 226 topaz -14.08 -14.08 0.00 0.000 0.55178E-11 261 galena -12.96 -12.96 0.00 0.000 0.00000E+00 262 gold,native -20.85 -20.85 0.00 0.000 0.11036E-10 263 silver,native -7.68 -7.68 0.00 0.000 0.41383E-11 273 sphalerite -10.54 -10.54 0.00 0.000 -0.27589E-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 1 H2O,gas 3.15 -0.01 -3.15 -3.153 0.48965E+04 -0.454 2 CO2,gas -5.46 -7.18 -1.72 -0.574 0.26731E+04 0.978 3 CH4,gas 5.20 -4.98 -10.18 -2.546 0.15817E+05 -7.485 4 H2,gas 9.67 0.55 -9.13 -5.215 0.14174E+05 -6.427 5 H2S,gas -5.33 -12.43 -7.11 -3.554 0.11039E+05 -4.409 6 S2,gas -5.50 -25.96 -20.45 -3.147 0.31768E+05 -17.756 7 CO,gas 5.21 -6.63 -11.83 -3.641 0.18378E+05 -9.134 8 SO3,gas 21.58 -14.63 -36.21 -9.053 0.56242E+05 -33.513 9 O2,gas 59.41 -1.10 -60.51 -40.339 0.93977E+05 -57.810 10 SO2,gas 3.52 -14.08 -17.60 -4.694 0.27337E+05 -14.902 11 HF,gas 2.45 -8.42 -10.86 -5.431 0.16870E+05 -8.163 12 HCl,gas 4.52 -5.43 -9.95 -4.976 0.15456E+05 -9.952 17 albite-high 2.39 -2.54 -4.93 -0.379 0.76594E+04 18 albite 1.11 -2.54 -3.66 -0.281 0.56801E+04 22 analcite 5.09 0.68 -4.41 -0.490 0.68527E+04 26 anhydrite -4.45 -9.06 -4.61 -2.306 0.71620E+04 34 aragonite 1.61 -1.61 -3.22 -1.073 0.49988E+04 36 calcite 1.47 -1.61 -3.08 -1.027 0.47859E+04 53 coesite -2.58 -3.23 -0.65 -0.217 0.10123E+04 60 cristobalite -2.69 -3.23 -0.54 -0.181 0.84231E+03 65 diaspore 4.50 2.98 -1.52 -0.253 0.23533E+04 66 diamond -3.68 -6.08 -2.40 -0.685 0.37261E+04 83 gibbsite 5.67 2.98 -2.69 -0.385 0.41819E+04 87 graphite -4.13 -6.08 -1.94 -0.555 0.30186E+04 90 halite 1.67 -1.28 -2.95 -1.475 0.45827E+04 99 kaolinite 1.20 -0.49 -1.69 -0.154 0.26252E+04 107 magnesite 1.57 -2.70 -4.27 -1.423 0.66303E+04 117 microcline -1.36 -4.06 -2.69 -0.207 0.41798E+04 143 pyrite -22.29 -22.97 -0.67 -0.158 0.10428E+04 145 pyrrhotiteFe0.875 -5.85 -10.36 -4.51 -1.659 0.70067E+04 147 pyrophyllite -3.83 -6.94 -3.11 -0.195 0.48345E+04 153 rhodochrosite -0.47 -3.42 -2.96 -0.986 0.45939E+04 155 sanidine -0.03 -4.06 -4.02 -0.309 0.62469E+04 157 siderite -2.05 -4.73 -2.68 -0.895 0.41701E+04 171 sulfur -9.52 -12.98 -3.46 -1.066 0.53802E+04 172 sylvite 1.28 -2.79 -4.07 -2.036 0.63242E+04 180 topaz-H 7.74 2.74 -5.00 -0.454 0.77615E+04 181 tridymite -2.77 -3.23 -0.45 -0.152 0.70608E+03 198 arsenic -8.06 -12.56 -4.50 -1.162 0.69905E+04 208 chalcedony -3.02 -3.23 -0.21 -0.069 0.31961E+03 209 chalcocite -30.61 -31.87 -1.27 -0.317 0.19682E+04 211 covellite -21.65 -22.43 -0.77 -0.295 0.12020E+04 212 dawsonite 3.01 -0.04 -3.05 -0.381 0.47380E+04 230 gypsum -4.43 -9.07 -4.64 -1.160 0.72094E+04 246 acanthite -31.14 -31.19 -0.05 -0.012 0.75533E+02 252 barite -9.22 -11.77 -2.55 -1.275 0.39605E+04 253 boehmite 6.28 2.98 -3.29 -0.549 0.51123E+04 254 cerussite -2.75 -7.71 -4.96 -1.652 0.76987E+04 255 chalcopyrite -30.36 -32.41 -2.05 -0.382 0.31899E+04 260 fluorite -9.56 -11.26 -1.70 -0.567 0.26428E+04 270 silica-amorphous -2.14 -3.23 -1.08 -0.361 0.16820E+04 274 wurtzite -8.53 -10.54 -2.02 -0.673 0.31351E+04 Calculations done for 66.2664 Deg. C; 500.0000 bar Mixer fraction: 3.4000000 Temperature Stoc.ionic strength Heat per mole Actual solution: 66.266 .39535E+00 1.371 Mixing solution: 25.000 .50000E-10 0.646 Fract. of mixing solution added: 0.100000 BITMOL = 0.5551E+01 OLDMOL = 0.2458E+03 New heat: 1.355 New temperature: 65.357 New mixer fraction: 3.5000000 Resulting temperature: 65.357Deg. C Solids and gases carried Charge balance check after fractionation or titration: TBAL = -.1296E-03 ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ Test file for CHIM-XPT. Mixing of cold water into metal bearing water starting at 199.97 C. Illustrates fluid-fluid mixing. CHIMRUN demo-3 ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ Number of loops used = 7 Loop limit = 70 Temperature = 65.36 C Pressure = 500.00 bar Mixer fraction = 3.5000000 Water: Moles liquid = 0.2499E+03 kg liquid = 0.4502E+01 Moles total = 0.2496E+03 kg total = 0.4497E+01 Activity = 0.9886 Stoichiometric ionic strength = .3865574E+00 Osmotic coef. = 0.9250 True ionic strength = .3395838E+00 Chg. balance for total moles = -.1296E-03 Max. difference allowed = 0.1545E-03 Log Log Log Species(n) Molality Molality Activity Activity Gamma Gamma 1 H+ 0.22443E-04 -4.6489 0.15887E-04 -4.7989 0.70790E+00 -0.1500 2 H2O 0.98862E+00 -0.0050 0.98862E+00 -0.0050 3 Cl- 0.33272E+00 -0.4779 0.22700E+00 -0.6440 0.68226E+00 -0.1661 4 SO4-- 0.40794E-04 -4.3894 0.90585E-05 -5.0429 0.22205E+00 -0.6535 5 HCO3- 0.59350E-02 -2.2266 0.40508E-02 -2.3925 0.68252E+00 -0.1659 6 HS- 0.32816E-07 -7.4839 0.22386E-07 -7.6500 0.68219E+00 -0.1661 7 H4SiO4 0.56659E-03 -3.2467 0.56659E-03 -3.2467 0.10000E+01 0.0000 8 Al+++ 0.12914E-09 -9.8889 0.43181E-11 -11.3647 0.33438E-01 -1.4758 9 Ca++ 0.43408E-03 -3.3624 0.93513E-04 -4.0291 0.21543E+00 -0.6667 10 Mg++ 0.35270E-04 -4.4526 0.75472E-05 -5.1222 0.21398E+00 -0.6696 11 Fe++ 0.32730E-06 -6.4851 0.70112E-07 -7.1542 0.21422E+00 -0.6691 12 K+ 0.10085E-01 -1.9963 0.68628E-02 -2.1635 0.68052E+00 -0.1672 13 Na+ 0.32795E+00 -0.4842 0.22266E+00 -0.6524 0.67894E+00 -0.1682 14 Mn++ 0.67064E-05 -5.1735 0.14381E-05 -5.8422 0.21444E+00 -0.6687 15 Zn++ 0.92117E-07 -7.0357 0.19733E-07 -7.7048 0.21422E+00 -0.6691 16 Cu+ 0.41074E-14 -14.3864 0.27887E-14 -14.5546 0.67893E+00 -0.1682 17 Pb++ 0.33456E-09 -9.4755 0.72565E-10 -10.1393 0.21689E+00 -0.6638 18 Ag+ 0.90017E-14 -14.0457 0.61215E-14 -14.2131 0.68004E+00 -0.1675 19 Au+ 0.42543E-26 -26.3712 0.28964E-26 -26.5381 0.68083E+00 -0.1670 20 Ba++ 0.84168E-06 -6.0749 0.18353E-06 -6.7363 0.21805E+00 -0.6614 21 F- 0.34463E-03 -3.4627 0.23741E-03 -3.6245 0.68889E+00 -0.1619 22 H2AsO3- 0.33340E-08 -8.4770 0.23943E-08 -8.6208 0.71814E+00 -0.1438 24 HSiO3- 0.41817E-07 -7.3787 0.28530E-07 -7.5447 0.68226E+00 -0.1661 25 Ca(HSiO3)+ 0.49775E-10 -10.3030 0.33888E-10 -10.4700 0.68083E+00 -0.1670 27 NaHSiO3,aq 0.14787E-06 -6.8301 0.14787E-06 -6.8301 0.10000E+01 0.0000 32 AgCl2- 0.21499E-10 -10.6676 0.14668E-10 -10.8336 0.68226E+00 -0.1661 38 Ag(HS),aq 0.85878E-09 -9.0661 0.85878E-09 -9.0661 0.10000E+01 0.0000 40 AlO+ 0.84909E-10 -10.0710 0.57808E-10 -10.2380 0.68083E+00 -0.1670 41 AlOH+2 0.94459E-10 -10.0248 0.20286E-10 -10.6928 0.21476E+00 -0.6680 42 HAlO2,aq 0.20085E-09 -9.6971 0.20085E-09 -9.6971 0.10000E+01 0.0000 43 AlO2- 0.16256E-10 -10.7890 0.11169E-10 -10.9520 0.68705E+00 -0.1630 44 AsO2- 0.36403E-08 -8.4389 0.24836E-08 -8.6049 0.68226E+00 -0.1661 45 HAsO2,aq 0.13427E-04 -4.8720 0.13427E-04 -4.8720 0.10000E+01 0.0000 46 H3AsO3,aq 0.15359E-04 -4.8136 0.15359E-04 -4.8136 0.10000E+01 0.0000 63 Ba(HCO3)+ 0.21572E-07 -7.6661 0.14724E-07 -7.8320 0.68253E+00 -0.1659 64 BaCl+ 0.39384E-07 -7.4047 0.26814E-07 -7.5716 0.68083E+00 -0.1670 65 BaF+ 0.69696E-10 -10.1568 0.47451E-10 -10.3238 0.68083E+00 -0.1670 66 CH4,aq 0.12299E-10 -10.9101 0.11556E-10 -10.9372 0.93960E+00 -0.0271 72 CO2,aq 0.71777E-01 -1.1440 0.67442E-01 -1.1711 0.93960E+00 -0.0271 73 CO3-2 0.15654E-06 -6.8054 0.34589E-07 -7.4611 0.22096E+00 -0.6557 74 CaCO3,aq 0.14976E-07 -7.8246 0.14976E-07 -7.8246 0.10000E+01 0.0000 75 Ca(HCO3)+ 0.77156E-05 -5.1126 0.52530E-05 -5.2796 0.68083E+00 -0.1670 76 CaCl+ 0.24505E-04 -4.6107 0.16684E-04 -4.7777 0.68083E+00 -0.1670 77 CaCl2,aq 0.88187E-06 -6.0546 0.88187E-06 -6.0546 0.10000E+01 0.0000 78 CaF+ 0.23132E-06 -6.6358 0.15749E-06 -6.8028 0.68083E+00 -0.1670 79 CaOH+ 0.46106E-10 -10.3362 0.31390E-10 -10.5032 0.68083E+00 -0.1670 80 CaSO4,aq 0.14638E-06 -6.8345 0.14638E-06 -6.8345 0.10000E+01 0.0000 81 HCl,aq 0.77123E-06 -6.1128 0.77123E-06 -6.1128 0.10000E+01 0.0000 91 CuCl2- 0.25607E-10 -10.5916 0.17470E-10 -10.7577 0.68226E+00 -0.1661 98 HF,aq 0.94909E-05 -5.0227 0.94909E-05 -5.0227 0.10000E+01 0.0000 99 HF2- 0.86486E-09 -9.0631 0.59006E-09 -9.2291 0.68226E+00 -0.1661 101 FeCl+ 0.20454E-07 -7.6892 0.13926E-07 -7.8562 0.68083E+00 -0.1670 104 FeF+ 0.75059E-09 -9.1246 0.51102E-09 -9.2916 0.68083E+00 -0.1670 107 FeOH+ 0.46001E-10 -10.3372 0.31319E-10 -10.5042 0.68083E+00 -0.1670 113 H2,aq 0.16878E-09 -9.7727 0.15859E-09 -9.7997 0.93960E+00 -0.0271 114 KCl,aq 0.10454E-04 -4.9807 0.10454E-04 -4.9807 0.10000E+01 0.0000 116 KOH,aq 0.36174E-10 -10.4416 0.36174E-10 -10.4416 0.10000E+01 0.0000 117 KSO4- 0.90649E-06 -6.0426 0.61846E-06 -6.2087 0.68226E+00 -0.1661 118 MgCO3,aq 0.37643E-09 -9.4243 0.37643E-09 -9.4243 0.10000E+01 0.0000 119 Mg(HCO3)+ 0.62657E-06 -6.2030 0.42659E-06 -6.3700 0.68083E+00 -0.1670 120 MgCl+ 0.21789E-05 -5.6618 0.14835E-05 -5.8287 0.68083E+00 -0.1670 121 MgF+ 0.75565E-07 -7.1217 0.51447E-07 -7.2886 0.68083E+00 -0.1670 122 MgOH+ 0.28612E-10 -10.5435 0.19480E-10 -10.7104 0.68083E+00 -0.1670 124 MnF+ 0.46686E-08 -8.3308 0.31785E-08 -8.4978 0.68083E+00 -0.1670 126 MnOH+ 0.70071E-10 -10.1545 0.47706E-10 -10.3214 0.68083E+00 -0.1670 131 MnCl+ 0.94453E-06 -6.0248 0.64306E-06 -6.1917 0.68083E+00 -0.1670 132 MnSO4,aq 0.18355E-08 -8.7363 0.18355E-08 -8.7363 0.10000E+01 0.0000 133 NaCl,aq 0.10481E-01 -1.9796 0.10481E-01 -1.9796 0.10000E+01 0.0000 134 NaF,aq 0.71524E-05 -5.1455 0.71524E-05 -5.1455 0.10000E+01 0.0000 135 NaOH,aq 0.14802E-08 -8.8297 0.14802E-08 -8.8297 0.10000E+01 0.0000 137 OH- 0.16531E-07 -7.7817 0.11357E-07 -7.9447 0.68705E+00 -0.1630 140 PbCl+ 0.85555E-09 -9.0678 0.58248E-09 -9.2347 0.68083E+00 -0.1670 141 PbCl2,aq 0.53321E-09 -9.2731 0.53321E-09 -9.2731 0.10000E+01 0.0000 142 PbCl3- 0.72722E-10 -10.1383 0.49615E-10 -10.3044 0.68226E+00 -0.1661 143 PbCl4-2 0.15967E-10 -10.7968 0.35281E-11 -11.4525 0.22096E+00 -0.6557 150 H2S,aq 0.11958E-05 -5.9223 0.11236E-05 -5.9494 0.93960E+00 -0.0271 159 HSO4- 0.47807E-07 -7.3205 0.32710E-07 -7.4853 0.68420E+00 -0.1648 173 ZnCl+ 0.91420E-07 -7.0390 0.62241E-07 -7.2059 0.68083E+00 -0.1670 174 ZnCl2,aq 0.88549E-08 -8.0528 0.88549E-08 -8.0528 0.10000E+01 0.0000 175 ZnCl3- 0.62953E-09 -9.2010 0.42951E-09 -9.3670 0.68226E+00 -0.1661 176 ZnF+ 0.12272E-09 -9.9111 0.83549E-10 -10.0781 0.68083E+00 -0.1670 178 ZnOH+ 0.94433E-09 -9.0249 0.64293E-09 -9.1918 0.68083E+00 -0.1670 Charge balance for all species = -.2879E-04 Component Molality Aq.molality ppm log[A(N)/A(H+)**Z] (total) 1 H+ 0.2244291E-04 0.7183908E-01 0.7071565E+02 0.0000 2 H2O 0.1000000E+01 0.5543646E+02 0.9753424E+06 0.0000 3 Cl- 0.3327173E+00 0.3432390E+00 0.1188419E+05 4.1550 4 SO4-- 0.4079406E-04 0.4189653E-04 0.3930501E+01 4.5549 5 HCO3- 0.5935028E-02 0.7772029E-01 0.4631341E+04 2.4065 6 HS- 0.3281551E-07 0.1229526E-05 0.3971169E-01 -2.8511 7 H4SiO4 0.5665859E-03 0.5667756E-03 0.5320155E+02 -3.2467 8 Al+++ 0.1291395E-09 0.5256116E-09 0.1385004E-04 3.0321 9 Ca++ 0.4340823E-03 0.4675778E-03 0.1830122E+02 5.5688 10 Mg++ 0.3526981E-04 0.3815128E-04 0.9058367E+00 4.4757 11 Fe++ 0.3272970E-06 0.3485478E-06 0.1901001E-01 2.4437 12 K+ 0.1008461E-01 0.1009597E-01 0.3855379E+03 2.6354 13 Na+ 0.3279530E+00 0.3384412E+00 0.7598686E+04 4.1466 14 Mn++ 0.6706393E-05 0.7657495E-05 0.4108466E+00 3.7557 15 Zn++ 0.9211709E-07 0.1940888E-06 0.1239079E-01 1.8931 16 Cu+ 0.4107419E-14 0.3178239E-10 0.1972213E-05 -9.7557 17 Pb++ 0.3345637E-09 0.1815551E-08 0.3673646E-03 -0.5414 18 Ag+ 0.9001688E-14 0.8852160E-09 0.9325455E-04 -9.4142 19 Au+ 0.4254302E-26 0.1148377E-12 0.2209013E-07 -21.7392 20 Ba++ 0.8416848E-06 0.9027181E-06 0.1210791E+00 2.8616 21 F- 0.3446262E-03 0.3615837E-03 0.6708675E+01 1.1744 22 H2AsO3- 0.3333993E-08 0.2879352E-04 0.3513188E+01 -3.8219 Component Tot moles Aq. moles Solid moles Gas moles 1 H+ 0.3234352E+00 0.3234484E+00 -.1327031E-04 0.0000000E+00 2 H2O 0.2495967E+03 0.2495972E+03 -.5173901E-03 0.0000000E+00 3 Cl- 0.1545400E+01 0.1545400E+01 0.0000000E+00 0.0000000E+00 4 SO4-- 0.1886393E-03 0.1886350E-03 0.4249822E-08 0.0000000E+00 5 HCO3- 0.3499280E+00 0.3499280E+00 0.0000000E+00 0.0000000E+00 6 HS- 0.1403031E-04 0.5535822E-05 0.8494489E-05 0.0000000E+00 7 H4SiO4 0.2811741E-02 0.2551852E-02 0.2598890E-03 0.0000000E+00 8 Al+++ 0.2407279E-05 0.2366515E-08 0.2404912E-05 0.0000000E+00 9 Ca++ 0.2105223E-02 0.2105223E-02 0.0000000E+00 0.0000000E+00 10 Mg++ 0.1717724E-03 0.1717724E-03 0.0000000E+00 0.0000000E+00 11 Fe++ 0.1603305E-05 0.1569302E-05 0.3400281E-07 0.0000000E+00 12 K+ 0.4545612E-01 0.4545612E-01 0.0000000E+00 0.0000000E+00 13 Na+ 0.1523798E+01 0.1523798E+01 0.0000000E+00 0.0000000E+00 14 Mn++ 0.3447712E-04 0.3447712E-04 0.0000000E+00 0.0000000E+00 15 Zn++ 0.7468176E-05 0.8738659E-06 0.6594310E-05 0.0000000E+00 16 Cu+ 0.1701571E-06 0.1430971E-09 0.1700140E-06 0.0000000E+00 17 Pb++ 0.1565021E-05 0.8174339E-08 0.1556846E-05 0.0000000E+00 18 Ag+ 0.4271281E-06 0.3985599E-08 0.4231425E-06 0.0000000E+00 19 Au+ 0.3110961E-11 0.5170457E-12 0.2593915E-11 0.0000000E+00 20 Ba++ 0.4064400E-05 0.4064400E-05 0.0000000E+00 0.0000000E+00 21 F- 0.1630400E-02 0.1627995E-02 0.2404912E-05 0.0000000E+00 22 H2AsO3- 0.1296400E-03 0.1296400E-03 0.0000000E+00 0.0000000E+00 Chg. balance for solid moles: -.1271E-20 Mass of aqueous solution: 0.461025E+04 g Temperature = 65.36 C Pressure = 500.00 bar Mixer frac. = 3.5000000 Log Log Vol Gas or mineral Moles Moles Grams Grams Wt.% (cm3) quartz 0.2587E-03 -3.587 0.1554E-01 -1.808 92.25 0.5869E-02 argentite 0.2116E-06 -6.675 0.5243E-04 -4.280 0.3112 0.7362E-05 bornite 0.3400E-07 -7.468 0.1706E-04 -4.768 0.1013 0.3357E-05 topaz 0.1202E-05 -5.920 0.2213E-03 -3.655 1.314 0.6196E-04 galena 0.1557E-05 -5.808 0.3725E-03 -3.429 2.211 0.4902E-04 gold,native 0.2594E-11 -11.586 0.5109E-09 -9.292 0.3033E-05 0.2650E-10 silver,native 0.1639E-11 -11.785 0.1768E-09 -9.753 0.1049E-05 0.1683E-10 sphalerite 0.6594E-05 -5.181 0.6425E-03 -3.192 3.813 0.1571E-03 Partial press. Fugacity coef Log fugacity Gas or Mineral Mole fraction or activity Activity coef Log activity quartz 0.1000E+01 0.1000E+01 1.0000 0.000 argentite 0.1000E+01 0.1000E+01 1.0000 0.000 bornite 0.1000E+01 0.1000E+01 1.0000 0.000 topaz 0.1000E+01 0.1000E+01 1.0000 0.000 galena 0.1000E+01 0.1000E+01 1.0000 0.000 gold,native 0.6128E+00 0.2870E+00 0.4683 -0.542 silver,native 0.3872E+00 0.3702E-01 0.0956 -1.432 sphalerite 0.1000E+01 0.1000E+01 1.0000 0.000 Total fraction of mixing solution added: 3.5000000 Solid products produced: Mass = 0.016848 g Volume = 0.006148 cm3 WARNING: mineral volume may be in error because some mineral densities were not supplied in SOLTHERM. See mineral list in file Skip_Species.txt. Gas composition at saturation ( 3 iterations) ------------------------------------------------- Temperature: 65.3572 deg.C Sat. pressure: 9.9155 bar Gas Mole fraction phi Fugacity Partial P(bar) H2O,gas 0.3625E-01 0.9411 0.3382E+00 0.3594E+00 CO2,gas 0.9637E+00 0.9604 0.9177E+01 0.9556E+01 CH4,gas 0.3133E-08 1.0071 0.3128E-07 0.3106E-07 H2,gas 0.3527E-07 1.0058 0.3518E-06 0.3498E-06 H2S,gas 0.3995E-05 0.9518 0.3770E-04 0.3961E-04 S2,gas 0.1590E-18 1.0000 0.1577E-17 0.1577E-17 CO,gas 0.6733E-10 1.0000 0.6676E-09 0.6676E-09 SO3,gas 0.2434E-34 1.0000 0.2414E-33 0.2414E-33 O2,gas 0.1031E-58 1.0000 0.1022E-57 0.1022E-57 SO2,gas 0.1114E-15 1.0000 0.1104E-14 0.1104E-14 HF,gas 0.6377E-09 1.0000 0.6323E-08 0.6323E-08 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 148 quartz -3.24 -3.24 0.00 0.000 0.00000E+00 197 argentite -31.28 -31.28 0.00 0.000 -0.55030E-11 206 bornite -96.40 -96.40 0.00 0.000 0.00000E+00 226 topaz -14.03 -14.03 0.00 0.000 0.00000E+00 261 galena -12.99 -12.99 0.00 0.000 0.00000E+00 262 gold,native -20.93 -20.93 0.00 0.000 0.00000E+00 263 silver,native -7.71 -7.71 0.00 0.000 -0.27515E-11 273 sphalerite -10.56 -10.56 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 1 H2O,gas 3.16 0.00 -3.17 -3.170 0.49098E+04 -0.471 2 CO2,gas -5.45 -7.19 -1.74 -0.579 0.26894E+04 0.963 3 CH4,gas 5.20 -5.00 -10.20 -2.551 0.15805E+05 -7.505 4 H2,gas 9.70 0.54 -9.15 -5.230 0.14177E+05 -6.454 5 H2S,gas -5.33 -12.45 -7.12 -3.561 0.11033E+05 -4.424 6 S2,gas -5.48 -25.98 -20.50 -3.154 0.31755E+05 -17.802 7 CO,gas 5.24 -6.64 -11.87 -3.654 0.18393E+05 -9.175 8 SO3,gas 21.68 -14.64 -36.32 -9.079 0.56252E+05 -33.617 9 O2,gas 59.59 -1.10 -60.69 -40.460 0.94005E+05 -57.990 10 SO2,gas 3.57 -14.09 -17.66 -4.708 0.27348E+05 -14.957 11 HF,gas 2.47 -8.42 -10.90 -5.449 0.16881E+05 -8.199 12 HCl,gas 4.55 -5.44 -9.99 -4.996 0.15478E+05 -9.993 17 albite-high 2.42 -2.54 -4.97 -0.382 0.76914E+04 18 albite 1.14 -2.54 -3.69 -0.283 0.57085E+04 22 analcite 5.13 0.69 -4.44 -0.493 0.68793E+04 26 anhydrite -4.44 -9.07 -4.63 -2.317 0.71775E+04 34 aragonite 1.62 -1.62 -3.24 -1.082 0.50256E+04 36 calcite 1.48 -1.62 -3.11 -1.036 0.48133E+04 53 coesite -2.58 -3.24 -0.65 -0.218 0.10119E+04 60 cristobalite -2.69 -3.24 -0.54 -0.182 0.84399E+03 65 diaspore 4.54 3.02 -1.52 -0.253 0.23537E+04 66 diamond -3.69 -6.09 -2.40 -0.685 0.37128E+04 83 gibbsite 5.71 3.02 -2.70 -0.385 0.41777E+04 87 graphite -4.15 -6.09 -1.94 -0.555 0.30062E+04 90 halite 1.67 -1.30 -2.97 -1.484 0.45971E+04 99 kaolinite 1.26 -0.43 -1.69 -0.154 0.26209E+04 107 magnesite 1.59 -2.72 -4.30 -1.434 0.66642E+04 117 microcline -1.34 -4.05 -2.71 -0.208 0.41955E+04 143 pyrite -22.33 -23.00 -0.66 -0.156 0.10290E+04 145 pyrrhotiteFe0.875 -5.85 -10.38 -4.53 -1.666 0.70166E+04 147 pyrophyllite -3.78 -6.90 -3.12 -0.195 0.48367E+04 153 rhodochrosite -0.46 -3.44 -2.98 -0.993 0.46148E+04 155 sanidine -0.01 -4.05 -4.04 -0.311 0.62627E+04 157 siderite -2.04 -4.75 -2.71 -0.903 0.41953E+04 171 sulfur -9.53 -12.99 -3.46 -1.065 0.53615E+04 172 sylvite 1.28 -2.81 -4.08 -2.042 0.63269E+04 181 tridymite -2.78 -3.24 -0.46 -0.152 0.70679E+03 198 arsenic -8.09 -12.59 -4.50 -1.162 0.69772E+04 208 chalcedony -3.03 -3.24 -0.21 -0.069 0.31957E+03 209 chalcocite -30.69 -31.96 -1.27 -0.317 0.19638E+04 211 covellite -21.71 -22.48 -0.77 -0.292 0.11889E+04 212 dawsonite 3.04 -0.02 -3.06 -0.383 0.47415E+04 230 gypsum -4.43 -9.08 -4.66 -1.164 0.72116E+04 246 acanthite -31.23 -31.28 -0.05 -0.012 0.73648E+02 252 barite -9.22 -11.78 -2.55 -1.277 0.39565E+04 253 boehmite 6.33 3.02 -3.30 -0.550 0.51161E+04 254 cerussite -2.75 -7.73 -4.98 -1.660 0.77117E+04 255 chalcopyrite -30.42 -32.48 -2.06 -0.383 0.31912E+04 260 fluorite -9.56 -11.28 -1.72 -0.574 0.26675E+04 270 silica-amorphous -2.15 -3.24 -1.09 -0.363 0.16845E+04 274 wurtzite -8.53 -10.56 -2.02 -0.675 0.31352E+04 Calculations done for 65.3572 Deg. C; 500.0000 bar Mixer fraction: 3.5000000 Temperature Stoc.ionic strength Heat per mole Actual solution: 65.357 .38656E+00 1.355 Mixing solution: 25.000 .50000E-10 0.646 Fract. of mixing solution added: 0.100000 BITMOL = 0.5551E+01 OLDMOL = 0.2513E+03 New heat: 1.340 New temperature: 64.487 New mixer fraction: 3.6000000 Resulting temperature: 64.487Deg. C Solids and gases carried Charge balance check after fractionation or titration: TBAL = -.1296E-03 ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ Test file for CHIM-XPT. Mixing of cold water into metal bearing water starting at 199.97 C. Illustrates fluid-fluid mixing. CHIMRUN demo-3 ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ Number of loops used = 7 Loop limit = 70 Temperature = 64.49 C Pressure = 500.00 bar Mixer fraction = 3.6000000 Water: Moles liquid = 0.2555E+03 kg liquid = 0.4602E+01 Moles total = 0.2551E+03 kg total = 0.4597E+01 Activity = 0.9889 Stoichiometric ionic strength = .3781478E+00 Osmotic coef. = 0.9250 True ionic strength = .3324535E+00 Chg. balance for total moles = -.1296E-03 Max. difference allowed = 0.1545E-03 Log Log Log Species(n) Molality Molality Activity Activity Gamma Gamma 1 H+ 0.22397E-04 -4.6498 0.15890E-04 -4.7989 0.70946E+00 -0.1491 2 H2O 0.98887E+00 -0.0049 0.98887E+00 -0.0049 3 Cl- 0.32573E+00 -0.4871 0.22274E+00 -0.6522 0.68380E+00 -0.1651 4 SO4-- 0.39926E-04 -4.3987 0.89679E-05 -5.0473 0.22461E+00 -0.6486 5 HCO3- 0.58065E-02 -2.2361 0.39719E-02 -2.4010 0.68405E+00 -0.1649 6 HS- 0.31647E-07 -7.4997 0.21637E-07 -7.6648 0.68372E+00 -0.1651 7 H4SiO4 0.55575E-03 -3.2551 0.55575E-03 -3.2551 0.10000E+01 0.0000 8 Al+++ 0.13701E-09 -9.8633 0.47035E-11 -11.3276 0.34330E-01 -1.4643 9 Ca++ 0.42534E-03 -3.3713 0.92722E-04 -4.0328 0.21800E+00 -0.6616 10 Mg++ 0.34552E-04 -4.4615 0.74826E-05 -5.1259 0.21656E+00 -0.6644 11 Fe++ 0.32056E-06 -6.4941 0.69495E-07 -7.1580 0.21679E+00 -0.6640 12 K+ 0.98659E-02 -2.0059 0.67291E-02 -2.1720 0.68206E+00 -0.1662 13 Na+ 0.32107E+00 -0.4934 0.21849E+00 -0.6606 0.68051E+00 -0.1672 14 Mn++ 0.65880E-05 -5.1812 0.14297E-05 -5.8448 0.21702E+00 -0.6635 15 Zn++ 0.91740E-07 -7.0374 0.19889E-07 -7.7014 0.21679E+00 -0.6640 16 Cu+ 0.37878E-14 -14.4216 0.25776E-14 -14.5888 0.68050E+00 -0.1672 17 Pb++ 0.31938E-09 -9.4957 0.70090E-10 -10.1543 0.21946E+00 -0.6586 18 Ag+ 0.82611E-14 -14.0830 0.56306E-14 -14.2494 0.68158E+00 -0.1665 19 Au+ 0.36544E-26 -26.4372 0.24936E-26 -26.6032 0.68236E+00 -0.1660 20 Ba++ 0.82512E-06 -6.0835 0.18203E-06 -6.7399 0.22061E+00 -0.6564 21 F- 0.33746E-03 -3.4718 0.23298E-03 -3.6327 0.69039E+00 -0.1609 22 H2AsO3- 0.31593E-08 -8.5004 0.22725E-08 -8.6435 0.71930E+00 -0.1431 24 HSiO3- 0.40161E-07 -7.3962 0.27462E-07 -7.5613 0.68380E+00 -0.1651 25 Ca(HSiO3)+ 0.46926E-10 -10.3286 0.32020E-10 -10.4946 0.68236E+00 -0.1660 27 NaHSiO3,aq 0.14184E-06 -6.8482 0.14184E-06 -6.8482 0.10000E+01 0.0000 32 AgCl2- 0.19323E-10 -10.7139 0.13213E-10 -10.8790 0.68380E+00 -0.1651 38 Ag(HS),aq 0.83397E-09 -9.0789 0.83397E-09 -9.0789 0.10000E+01 0.0000 40 AlO+ 0.84260E-10 -10.0744 0.57496E-10 -10.2404 0.68236E+00 -0.1660 41 AlOH+2 0.96820E-10 -10.0140 0.21042E-10 -10.6769 0.21733E+00 -0.6629 42 HAlO2,aq 0.19213E-09 -9.7164 0.19213E-09 -9.7164 0.10000E+01 0.0000 43 AlO2- 0.15123E-10 -10.8204 0.10413E-10 -10.9824 0.68856E+00 -0.1621 44 AsO2- 0.34911E-08 -8.4570 0.23872E-08 -8.6221 0.68380E+00 -0.1651 45 HAsO2,aq 0.13175E-04 -4.8803 0.13175E-04 -4.8803 0.10000E+01 0.0000 46 H3AsO3,aq 0.14987E-04 -4.8243 0.14987E-04 -4.8243 0.10000E+01 0.0000 63 Ba(HCO3)+ 0.20372E-07 -7.6910 0.13935E-07 -7.8559 0.68404E+00 -0.1649 64 BaCl+ 0.37541E-07 -7.4255 0.25616E-07 -7.5915 0.68236E+00 -0.1660 65 BaF+ 0.66677E-10 -10.1760 0.45498E-10 -10.3420 0.68236E+00 -0.1660 66 CH4,aq 0.11822E-10 -10.9273 0.11118E-10 -10.9540 0.94048E+00 -0.0267 72 CO2,aq 0.70217E-01 -1.1536 0.66038E-01 -1.1802 0.94048E+00 -0.0267 73 CO3-2 0.15097E-06 -6.8211 0.33746E-07 -7.4718 0.22352E+00 -0.6507 74 CaCO3,aq 0.14199E-07 -7.8478 0.14199E-07 -7.8478 0.10000E+01 0.0000 75 Ca(HCO3)+ 0.74050E-05 -5.1305 0.50529E-05 -5.2965 0.68236E+00 -0.1660 76 CaCl+ 0.23460E-04 -4.6297 0.16008E-04 -4.7957 0.68236E+00 -0.1660 77 CaCl2,aq 0.83552E-06 -6.0780 0.83552E-06 -6.0780 0.10000E+01 0.0000 78 CaF+ 0.22154E-06 -6.6546 0.15117E-06 -6.8205 0.68236E+00 -0.1660 79 CaOH+ 0.42541E-10 -10.3712 0.29029E-10 -10.5372 0.68236E+00 -0.1660 80 CaSO4,aq 0.14215E-06 -6.8472 0.14215E-06 -6.8472 0.10000E+01 0.0000 81 HCl,aq 0.75782E-06 -6.1204 0.75782E-06 -6.1204 0.10000E+01 0.0000 91 CuCl2- 0.22941E-10 -10.6394 0.15687E-10 -10.8045 0.68380E+00 -0.1651 98 HF,aq 0.91458E-05 -5.0388 0.91458E-05 -5.0388 0.10000E+01 0.0000 99 HF2- 0.81286E-09 -9.0900 0.55583E-09 -9.2551 0.68380E+00 -0.1651 101 FeCl+ 0.19650E-07 -7.7066 0.13408E-07 -7.8726 0.68236E+00 -0.1660 104 FeF+ 0.72268E-09 -9.1411 0.49313E-09 -9.3070 0.68236E+00 -0.1660 107 FeOH+ 0.43422E-10 -10.3623 0.29629E-10 -10.5283 0.68236E+00 -0.1660 113 H2,aq 0.15865E-09 -9.7996 0.14921E-09 -9.8262 0.94048E+00 -0.0267 114 KCl,aq 0.98476E-05 -5.0067 0.98476E-05 -5.0067 0.10000E+01 0.0000 116 KOH,aq 0.33669E-10 -10.4728 0.33669E-10 -10.4728 0.10000E+01 0.0000 117 KSO4- 0.87016E-06 -6.0604 0.59501E-06 -6.2255 0.68380E+00 -0.1651 118 MgCO3,aq 0.35925E-09 -9.4446 0.35925E-09 -9.4446 0.10000E+01 0.0000 119 Mg(HCO3)+ 0.60099E-06 -6.2211 0.41009E-06 -6.3871 0.68236E+00 -0.1660 120 MgCl+ 0.20967E-05 -5.6785 0.14307E-05 -5.8444 0.68236E+00 -0.1660 121 MgF+ 0.72559E-07 -7.1393 0.49511E-07 -7.3053 0.68236E+00 -0.1660 122 MgOH+ 0.26667E-10 -10.5740 0.18196E-10 -10.7400 0.68236E+00 -0.1660 124 MnF+ 0.44999E-08 -8.3468 0.30706E-08 -8.5128 0.68236E+00 -0.1660 126 MnOH+ 0.65892E-10 -10.1812 0.44962E-10 -10.3472 0.68236E+00 -0.1660 131 MnCl+ 0.89677E-06 -6.0473 0.61192E-06 -6.2133 0.68236E+00 -0.1660 132 MnSO4,aq 0.17806E-08 -8.7494 0.17806E-08 -8.7494 0.10000E+01 0.0000 133 NaCl,aq 0.10008E-01 -1.9997 0.10008E-01 -1.9997 0.10000E+01 0.0000 134 NaF,aq 0.68187E-05 -5.1663 0.68187E-05 -5.1663 0.10000E+01 0.0000 135 NaOH,aq 0.13867E-08 -8.8580 0.13867E-08 -8.8580 0.10000E+01 0.0000 137 OH- 0.15790E-07 -7.8016 0.10872E-07 -7.9637 0.68856E+00 -0.1621 140 PbCl+ 0.80088E-09 -9.0964 0.54649E-09 -9.2624 0.68236E+00 -0.1660 141 PbCl2,aq 0.48760E-09 -9.3119 0.48760E-09 -9.3119 0.10000E+01 0.0000 142 PbCl3- 0.64957E-10 -10.1874 0.44417E-10 -10.3525 0.68380E+00 -0.1651 143 PbCl4-2 0.13932E-10 -10.8560 0.31142E-11 -11.5067 0.22352E+00 -0.6507 150 H2S,aq 0.11680E-05 -5.9326 0.10985E-05 -5.9592 0.94048E+00 -0.0267 159 HSO4- 0.45915E-07 -7.3380 0.31484E-07 -7.5019 0.68570E+00 -0.1639 173 ZnCl+ 0.86101E-07 -7.0650 0.58752E-07 -7.2310 0.68236E+00 -0.1660 174 ZnCl2,aq 0.82463E-08 -8.0837 0.82463E-08 -8.0837 0.10000E+01 0.0000 175 ZnCl3- 0.58046E-09 -9.2362 0.39692E-09 -9.4013 0.68380E+00 -0.1651 176 ZnF+ 0.11994E-09 -9.9210 0.81841E-10 -10.0870 0.68236E+00 -0.1660 178 ZnOH+ 0.88725E-09 -9.0520 0.60543E-09 -9.2179 0.68236E+00 -0.1660 Charge balance for all species = -.2816E-04 Component Molality Aq.molality ppm log[A(N)/A(H+)**Z] (total) 1 H+ 0.2239736E-04 0.7027818E-01 0.6921433E+02 0.0000 2 H2O 0.1000000E+01 0.5543802E+02 0.9758657E+06 0.0000 3 Cl- 0.3257347E+00 0.3357812E+00 0.1163189E+05 4.1467 4 SO4-- 0.3992626E-04 0.4098621E-04 0.3847055E+01 4.5504 5 HCO3- 0.5806540E-02 0.7603160E-01 0.4533016E+04 2.3979 6 HS- 0.3164658E-07 0.1200523E-05 0.3879464E-01 -2.8659 7 H4SiO4 0.5557456E-03 0.5559276E-03 0.5220981E+02 -3.2551 8 Al+++ 0.1370069E-09 0.5253416E-09 0.1384997E-04 3.0691 9 Ca++ 0.4253398E-03 0.4574184E-03 0.1791268E+02 5.5649 10 Mg++ 0.3455165E-04 0.3732234E-04 0.8866055E+00 4.4718 11 Fe++ 0.3205580E-06 0.3409741E-06 0.1860639E-01 2.4397 12 K+ 0.9865889E-02 0.9876607E-02 0.3773528E+03 2.6268 13 Na+ 0.3210730E+00 0.3310876E+00 0.7437363E+04 4.1383 14 Mn++ 0.6587999E-05 0.7491115E-05 0.4021241E+00 3.7530 15 Zn++ 0.9173995E-07 0.1876752E-06 0.1198744E-01 1.8964 16 Cu+ 0.3787820E-14 0.2853505E-10 0.1771604E-05 -9.7899 17 Pb++ 0.3193764E-09 0.1690081E-08 0.3421505E-03 -0.5566 18 Ag+ 0.8261062E-14 0.8576955E-09 0.9040130E-04 -9.4506 19 Au+ 0.3654440E-26 0.1082285E-12 0.2082937E-07 -21.8043 20 Ba++ 0.8251186E-06 0.8831041E-06 0.1185086E+00 2.8579 21 F- 0.3374615E-03 0.3537273E-03 0.6566248E+01 1.1662 22 H2AsO3- 0.3159287E-08 0.2816790E-04 0.3438602E+01 -3.8446 Component Tot moles Aq. moles Solid moles Gas moles 1 H+ 0.3234352E+00 0.3234484E+00 -.1328074E-04 0.0000000E+00 2 H2O 0.2551476E+03 0.2551481E+03 -.5038890E-03 0.0000000E+00 3 Cl- 0.1545400E+01 0.1545400E+01 0.0000000E+00 0.0000000E+00 4 SO4-- 0.1886393E-03 0.1886350E-03 0.4250113E-08 0.0000000E+00 5 HCO3- 0.3499280E+00 0.3499280E+00 0.0000000E+00 0.0000000E+00 6 HS- 0.1403031E-04 0.5525289E-05 0.8505022E-05 0.0000000E+00 7 H4SiO4 0.2811741E-02 0.2558603E-02 0.2531384E-03 0.0000000E+00 8 Al+++ 0.2407279E-05 0.2417833E-08 0.2404861E-05 0.0000000E+00 9 Ca++ 0.2105223E-02 0.2105223E-02 0.0000000E+00 0.0000000E+00 10 Mg++ 0.1717724E-03 0.1717724E-03 0.0000000E+00 0.0000000E+00 11 Fe++ 0.1603305E-05 0.1569300E-05 0.3400516E-07 0.0000000E+00 12 K+ 0.4545612E-01 0.4545612E-01 0.0000000E+00 0.0000000E+00 13 Na+ 0.1523798E+01 0.1523798E+01 0.0000000E+00 0.0000000E+00 14 Mn++ 0.3447712E-04 0.3447712E-04 0.0000000E+00 0.0000000E+00 15 Zn++ 0.7468176E-05 0.8637569E-06 0.6604419E-05 0.0000000E+00 16 Cu+ 0.1701571E-06 0.1313298E-09 0.1700258E-06 0.0000000E+00 17 Pb++ 0.1565021E-05 0.7778432E-08 0.1557242E-05 0.0000000E+00 18 Ag+ 0.4271281E-06 0.3947460E-08 0.4231806E-06 0.0000000E+00 19 Au+ 0.3110961E-11 0.4981112E-12 0.2612850E-11 0.0000000E+00 20 Ba++ 0.4064400E-05 0.4064400E-05 0.0000000E+00 0.0000000E+00 21 F- 0.1630400E-02 0.1627995E-02 0.2404861E-05 0.0000000E+00 22 H2AsO3- 0.1296400E-03 0.1296400E-03 0.0000000E+00 0.0000000E+00 Chg. balance for solid moles: 0.8470E-21 Mass of aqueous solution: 0.471025E+04 g Temperature = 64.49 C Pressure = 500.00 bar Mixer frac. = 3.6000000 Log Log Vol Gas or mineral Moles Moles Grams Grams Wt.% (cm3) quartz 0.2519E-03 -3.599 0.1514E-01 -1.820 92.05 0.5716E-02 argentite 0.2116E-06 -6.675 0.5243E-04 -4.280 0.3189 0.7363E-05 bornite 0.3401E-07 -7.468 0.1706E-04 -4.768 0.1038 0.3357E-05 topaz 0.1202E-05 -5.920 0.2213E-03 -3.655 1.346 0.6195E-04 galena 0.1557E-05 -5.808 0.3726E-03 -3.429 2.266 0.4904E-04 gold,native 0.2613E-11 -11.583 0.5147E-09 -9.288 0.3130E-05 0.2669E-10 silver,native 0.1644E-11 -11.784 0.1773E-09 -9.751 0.1078E-05 0.1688E-10 sphalerite 0.6604E-05 -5.180 0.6435E-03 -3.191 3.913 0.1574E-03 Partial press. Fugacity coef Log fugacity Gas or Mineral Mole fraction or activity Activity coef Log activity quartz 0.1000E+01 0.1000E+01 1.0000 0.000 argentite 0.1000E+01 0.1000E+01 1.0000 0.000 bornite 0.1000E+01 0.1000E+01 1.0000 0.000 topaz 0.1000E+01 0.1000E+01 1.0000 0.000 galena 0.1000E+01 0.1000E+01 1.0000 0.000 gold,native 0.6138E+00 0.2881E+00 0.4693 -0.540 silver,native 0.3862E+00 0.3643E-01 0.0943 -1.439 sphalerite 0.1000E+01 0.1000E+01 1.0000 0.000 Total fraction of mixing solution added: 3.6000000 Solid products produced: Mass = 0.016443 g Volume = 0.005995 cm3 WARNING: mineral volume may be in error because some mineral densities were not supplied in SOLTHERM. See mineral list in file Skip_Species.txt. Gas composition at saturation ( 3 iterations) ------------------------------------------------- Temperature: 64.4873 deg.C Sat. pressure: 9.5716 bar Gas Mole fraction phi Fugacity Partial P(bar) H2O,gas 0.3608E-01 0.9429 0.3257E+00 0.3454E+00 CO2,gas 0.9639E+00 0.9614 0.8870E+01 0.9226E+01 CH4,gas 0.3109E-08 1.0068 0.2996E-07 0.2976E-07 H2,gas 0.3444E-07 1.0056 0.3315E-06 0.3297E-06 H2S,gas 0.3996E-05 0.9531 0.3646E-04 0.3825E-04 S2,gas 0.1484E-18 1.0000 0.1421E-17 0.1421E-17 CO,gas 0.6356E-10 1.0000 0.6084E-09 0.6084E-09 SO3,gas 0.2001E-34 1.0000 0.1916E-33 0.1916E-33 O2,gas 0.7159E-59 1.0000 0.6853E-58 0.6853E-58 SO2,gas 0.1022E-15 1.0000 0.9779E-15 0.9779E-15 HF,gas 0.6101E-09 1.0000 0.5840E-08 0.5840E-08 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 148 quartz -3.25 -3.25 0.00 0.000 0.00000E+00 197 argentite -31.36 -31.36 0.00 0.000 0.00000E+00 206 bornite -96.63 -96.63 0.00 0.000 0.00000E+00 226 topaz -13.98 -13.98 0.00 0.000 -0.54888E-11 261 galena -13.02 -13.02 0.00 0.000 0.54888E-11 262 gold,native -20.99 -20.99 0.00 0.000 0.54888E-11 263 silver,native -7.74 -7.74 0.00 0.000 -0.13722E-11 273 sphalerite -10.57 -10.57 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 1 H2O,gas 3.18 0.00 -3.19 -3.186 0.49226E+04 -0.487 2 CO2,gas -5.44 -7.20 -1.75 -0.584 0.27053E+04 0.948 3 CH4,gas 5.20 -5.02 -10.22 -2.556 0.15793E+05 -7.523 4 H2,gas 9.72 0.54 -9.18 -5.245 0.14180E+05 -6.479 5 H2S,gas -5.33 -12.46 -7.14 -3.569 0.11027E+05 -4.438 6 S2,gas -5.46 -26.01 -20.55 -3.161 0.31744E+05 -17.847 7 CO,gas 5.27 -6.65 -11.91 -3.666 0.18408E+05 -9.216 8 SO3,gas 21.78 -14.64 -36.42 -9.104 0.56263E+05 -33.718 9 O2,gas 59.77 -1.09 -60.86 -40.575 0.94032E+05 -58.164 10 SO2,gas 3.61 -14.09 -17.71 -4.722 0.27359E+05 -15.010 11 HF,gas 2.50 -8.43 -10.93 -5.466 0.16891E+05 -8.234 12 HCl,gas 4.58 -5.45 -10.03 -5.016 0.15499E+05 -10.032 17 albite-high 2.46 -2.54 -5.00 -0.384 0.77217E+04 18 albite 1.17 -2.54 -3.71 -0.286 0.57353E+04 22 analcite 5.17 0.70 -4.47 -0.497 0.69045E+04 26 anhydrite -4.42 -9.08 -4.66 -2.328 0.71927E+04 34 aragonite 1.63 -1.63 -3.27 -1.090 0.50515E+04 36 calcite 1.50 -1.63 -3.13 -1.044 0.48397E+04 53 coesite -2.59 -3.25 -0.65 -0.218 0.10115E+04 60 cristobalite -2.70 -3.25 -0.55 -0.182 0.84561E+03 65 diaspore 4.58 3.06 -1.52 -0.254 0.23538E+04 66 diamond -3.71 -6.10 -2.40 -0.684 0.37004E+04 83 gibbsite 5.76 3.05 -2.70 -0.386 0.41734E+04 87 graphite -4.17 -6.10 -1.94 -0.554 0.29945E+04 90 halite 1.67 -1.31 -2.98 -1.492 0.46113E+04 99 kaolinite 1.32 -0.38 -1.69 -0.154 0.26161E+04 107 magnesite 1.61 -2.73 -4.33 -1.445 0.66968E+04 117 microcline -1.32 -4.05 -2.73 -0.210 0.42101E+04 143 pyrite -22.37 -23.03 -0.66 -0.155 0.10161E+04 145 pyrrhotiteFe0.875 -5.85 -10.40 -4.55 -1.673 0.70262E+04 147 pyrophyllite -3.73 -6.86 -3.13 -0.196 0.48381E+04 153 rhodochrosite -0.45 -3.45 -3.00 -1.000 0.46351E+04 155 sanidine 0.01 -4.05 -4.06 -0.313 0.62774E+04 157 siderite -2.03 -4.76 -2.73 -0.910 0.42197E+04 171 sulfur -9.55 -13.00 -3.46 -1.064 0.53439E+04 172 sylvite 1.27 -2.82 -4.10 -2.049 0.63299E+04 181 tridymite -2.79 -3.25 -0.46 -0.153 0.70746E+03 198 arsenic -8.11 -12.62 -4.51 -1.163 0.69646E+04 208 chalcedony -3.04 -3.25 -0.21 -0.069 0.31953E+03 209 chalcocite -30.78 -32.04 -1.27 -0.317 0.19594E+04 211 covellite -21.76 -22.52 -0.76 -0.290 0.11764E+04 212 dawsonite 3.07 0.00 -3.07 -0.384 0.47450E+04 230 gypsum -4.42 -9.09 -4.67 -1.167 0.72140E+04 246 acanthite -31.32 -31.36 -0.05 -0.012 0.71851E+02 252 barite -9.23 -11.79 -2.56 -1.279 0.39531E+04 253 boehmite 6.37 3.06 -3.31 -0.552 0.51194E+04 254 cerussite -2.76 -7.76 -5.00 -1.667 0.77244E+04 255 chalcopyrite -30.48 -32.55 -2.07 -0.384 0.31925E+04 260 fluorite -9.56 -11.30 -1.74 -0.581 0.26918E+04 270 silica-amorphous -2.15 -3.25 -1.09 -0.364 0.16870E+04 274 wurtzite -8.54 -10.57 -2.03 -0.676 0.31352E+04 Calculations done for 64.4873 Deg. C; 500.0000 bar Mixer fraction: 3.6000000 Temperature Stoc.ionic strength Heat per mole Actual solution: 64.487 .37815E+00 1.340 Mixing solution: 25.000 .50000E-10 0.646 Fract. of mixing solution added: 0.100000 BITMOL = 0.5551E+01 OLDMOL = 0.2569E+03 New heat: 1.325 New temperature: 63.654 New mixer fraction: 3.7000000 Resulting temperature: 63.654Deg. C Solids and gases carried Charge balance check after fractionation or titration: TBAL = -.1296E-03 ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ Test file for CHIM-XPT. Mixing of cold water into metal bearing water starting at 199.97 C. Illustrates fluid-fluid mixing. CHIMRUN demo-3 ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ Number of loops used = 7 Loop limit = 70 Temperature = 63.65 C Pressure = 500.00 bar Mixer fraction = 3.7000000 Water: Moles liquid = 0.2610E+03 kg liquid = 0.4702E+01 Moles total = 0.2607E+03 kg total = 0.4697E+01 Activity = 0.9891 Stoichiometric ionic strength = .3700962E+00 Osmotic coef. = 0.9249 True ionic strength = .3256146E+00 Chg. balance for total moles = -.1296E-03 Max. difference allowed = 0.1545E-03 Log Log Log Species(n) Molality Molality Activity Activity Gamma Gamma 1 H+ 0.22347E-04 -4.6508 0.15888E-04 -4.7989 0.71096E+00 -0.1482 2 H2O 0.98911E+00 -0.0048 0.98911E+00 -0.0048 3 Cl- 0.31904E+00 -0.4962 0.21863E+00 -0.6603 0.68529E+00 -0.1641 4 SO4-- 0.39095E-04 -4.4079 0.88787E-05 -5.0517 0.22711E+00 -0.6438 5 HCO3- 0.56835E-02 -2.2454 0.38962E-02 -2.4094 0.68552E+00 -0.1640 6 HS- 0.30556E-07 -7.5149 0.20937E-07 -7.6791 0.68521E+00 -0.1642 7 H4SiO4 0.54546E-03 -3.2632 0.54546E-03 -3.2632 0.10000E+01 0.0000 8 Al+++ 0.14498E-09 -9.8387 0.51053E-11 -11.2920 0.35215E-01 -1.4533 9 Ca++ 0.41694E-03 -3.3799 0.91936E-04 -4.0365 0.22050E+00 -0.6566 10 Mg++ 0.33862E-04 -4.4703 0.74184E-05 -5.1297 0.21908E+00 -0.6594 11 Fe++ 0.31409E-06 -6.5029 0.68882E-07 -7.1619 0.21931E+00 -0.6589 12 K+ 0.96564E-02 -2.0152 0.66007E-02 -2.1804 0.68356E+00 -0.1652 13 Na+ 0.31447E+00 -0.5024 0.21448E+00 -0.6686 0.68203E+00 -0.1662 14 Mn++ 0.64731E-05 -5.1889 0.14211E-05 -5.8474 0.21953E+00 -0.6585 15 Zn++ 0.91352E-07 -7.0393 0.20034E-07 -7.6982 0.21931E+00 -0.6589 16 Cu+ 0.35033E-14 -14.4555 0.23893E-14 -14.6217 0.68203E+00 -0.1662 17 Pb++ 0.30530E-09 -9.5153 0.67766E-10 -10.1690 0.22196E+00 -0.6537 18 Ag+ 0.76043E-14 -14.1189 0.51944E-14 -14.2845 0.68309E+00 -0.1655 19 Au+ 0.31553E-26 -26.5010 0.21578E-26 -26.6660 0.68385E+00 -0.1650 20 Ba++ 0.80916E-06 -6.0920 0.18054E-06 -6.7434 0.22312E+00 -0.6515 21 F- 0.33059E-03 -3.4807 0.22871E-03 -3.6407 0.69184E+00 -0.1600 22 H2AsO3- 0.29995E-08 -8.5230 0.21610E-08 -8.6654 0.72044E+00 -0.1424 24 HSiO3- 0.38632E-07 -7.4131 0.26474E-07 -7.5772 0.68529E+00 -0.1641 25 Ca(HSiO3)+ 0.44333E-10 -10.3533 0.30317E-10 -10.5183 0.68385E+00 -0.1650 27 NaHSiO3,aq 0.13625E-06 -6.8657 0.13625E-06 -6.8657 0.10000E+01 0.0000 32 AgCl2- 0.17424E-10 -10.7588 0.11941E-10 -10.9230 0.68529E+00 -0.1641 38 Ag(HS),aq 0.81057E-09 -9.0912 0.81057E-09 -9.0912 0.10000E+01 0.0000 40 AlO+ 0.83650E-10 -10.0775 0.57204E-10 -10.2426 0.68385E+00 -0.1650 41 AlOH+2 0.99147E-10 -10.0037 0.21797E-10 -10.6616 0.21985E+00 -0.6579 42 HAlO2,aq 0.18415E-09 -9.7348 0.18415E-09 -9.7348 0.10000E+01 0.0000 43 AlO2- 0.14116E-10 -10.8503 0.97405E-11 -11.0114 0.69002E+00 -0.1611 44 AsO2- 0.33525E-08 -8.4746 0.22974E-08 -8.6388 0.68529E+00 -0.1641 45 HAsO2,aq 0.12931E-04 -4.8884 0.12931E-04 -4.8884 0.10000E+01 0.0000 46 H3AsO3,aq 0.14632E-04 -4.8347 0.14632E-04 -4.8347 0.10000E+01 0.0000 63 Ba(HCO3)+ 0.19268E-07 -7.7152 0.13209E-07 -7.8791 0.68551E+00 -0.1640 64 BaCl+ 0.35826E-07 -7.4458 0.24500E-07 -7.6108 0.68385E+00 -0.1650 65 BaF+ 0.63857E-10 -10.1948 0.43669E-10 -10.3598 0.68385E+00 -0.1650 66 CH4,aq 0.11379E-10 -10.9439 0.10711E-10 -10.9702 0.94133E+00 -0.0263 72 CO2,aq 0.68723E-01 -1.1629 0.64692E-01 -1.1892 0.94133E+00 -0.0263 73 CO3-2 0.14576E-06 -6.8364 0.32945E-07 -7.4822 0.22602E+00 -0.6459 74 CaCO3,aq 0.13482E-07 -7.8703 0.13482E-07 -7.8703 0.10000E+01 0.0000 75 Ca(HCO3)+ 0.71143E-05 -5.1479 0.48651E-05 -5.3129 0.68385E+00 -0.1650 76 CaCl+ 0.22484E-04 -4.6481 0.15376E-04 -4.8132 0.68385E+00 -0.1650 77 CaCl2,aq 0.79263E-06 -6.1009 0.79263E-06 -6.1009 0.10000E+01 0.0000 78 CaF+ 0.21240E-06 -6.6729 0.14525E-06 -6.8379 0.68385E+00 -0.1650 79 CaOH+ 0.39364E-10 -10.4049 0.26919E-10 -10.5699 0.68385E+00 -0.1650 80 CaSO4,aq 0.13812E-06 -6.8598 0.13812E-06 -6.8598 0.10000E+01 0.0000 81 HCl,aq 0.74481E-06 -6.1280 0.74481E-06 -6.1280 0.10000E+01 0.0000 91 CuCl2- 0.20621E-10 -10.6857 0.14131E-10 -10.8498 0.68529E+00 -0.1641 98 HF,aq 0.88209E-05 -5.0545 0.88209E-05 -5.0545 0.10000E+01 0.0000 99 HF2- 0.76502E-09 -9.1163 0.52426E-09 -9.2805 0.68529E+00 -0.1641 101 FeCl+ 0.18896E-07 -7.7236 0.12922E-07 -7.8887 0.68385E+00 -0.1650 104 FeF+ 0.69641E-09 -9.1571 0.47624E-09 -9.3222 0.68385E+00 -0.1650 107 FeOH+ 0.41072E-10 -10.3865 0.28087E-10 -10.5515 0.68385E+00 -0.1650 113 H2,aq 0.14949E-09 -9.8254 0.14072E-09 -9.8516 0.94133E+00 -0.0263 114 KCl,aq 0.92910E-05 -5.0319 0.92910E-05 -5.0319 0.10000E+01 0.0000 116 KOH,aq 0.31415E-10 -10.5029 0.31415E-10 -10.5029 0.10000E+01 0.0000 117 KSO4- 0.83609E-06 -6.0777 0.57296E-06 -6.2419 0.68529E+00 -0.1641 118 MgCO3,aq 0.34329E-09 -9.4643 0.34329E-09 -9.4643 0.10000E+01 0.0000 119 Mg(HCO3)+ 0.57708E-06 -6.2388 0.39464E-06 -6.4038 0.68385E+00 -0.1650 120 MgCl+ 0.20195E-05 -5.6948 0.13810E-05 -5.8598 0.68385E+00 -0.1650 121 MgF+ 0.69742E-07 -7.1565 0.47693E-07 -7.3215 0.68385E+00 -0.1650 122 MgOH+ 0.24918E-10 -10.6035 0.17040E-10 -10.7685 0.68385E+00 -0.1650 124 MnF+ 0.43407E-08 -8.3624 0.29684E-08 -8.5275 0.68385E+00 -0.1650 126 MnOH+ 0.62092E-10 -10.2070 0.42462E-10 -10.3720 0.68385E+00 -0.1650 131 MnCl+ 0.85255E-06 -6.0693 0.58302E-06 -6.2343 0.68385E+00 -0.1650 132 MnSO4,aq 0.17282E-08 -8.7624 0.17282E-08 -8.7624 0.10000E+01 0.0000 133 NaCl,aq 0.95664E-02 -2.0193 0.95664E-02 -2.0193 0.10000E+01 0.0000 134 NaF,aq 0.65081E-05 -5.1865 0.65081E-05 -5.1865 0.10000E+01 0.0000 135 NaOH,aq 0.13019E-08 -8.8854 0.13019E-08 -8.8854 0.10000E+01 0.0000 137 OH- 0.15110E-07 -7.8207 0.10426E-07 -7.9819 0.69002E+00 -0.1611 140 PbCl+ 0.75114E-09 -9.1243 0.51367E-09 -9.2893 0.68385E+00 -0.1650 141 PbCl2,aq 0.44702E-09 -9.3497 0.44702E-09 -9.3497 0.10000E+01 0.0000 142 PbCl3- 0.58201E-10 -10.2351 0.39884E-10 -10.3992 0.68529E+00 -0.1641 143 PbCl4-2 0.12201E-10 -10.9136 0.27577E-11 -11.5595 0.22602E+00 -0.6459 150 H2S,aq 0.11416E-05 -5.9425 0.10746E-05 -5.9688 0.94133E+00 -0.0263 159 HSO4- 0.44144E-07 -7.3551 0.30334E-07 -7.5181 0.68716E+00 -0.1629 173 ZnCl+ 0.81233E-07 -7.0903 0.55552E-07 -7.2553 0.68385E+00 -0.1650 174 ZnCl2,aq 0.76946E-08 -8.1138 0.76946E-08 -8.1138 0.10000E+01 0.0000 175 ZnCl3- 0.53634E-09 -9.2706 0.36755E-09 -9.4347 0.68529E+00 -0.1641 176 ZnF+ 0.11726E-09 -9.9308 0.80191E-10 -10.0959 0.68385E+00 -0.1650 178 ZnOH+ 0.83552E-09 -9.0780 0.57137E-09 -9.2431 0.68385E+00 -0.1650 Charge balance for all species = -.2756E-04 Component Molality Aq.molality ppm log[A(N)/A(H+)**Z] (total) 1 H+ 0.2234706E-04 0.6878367E-01 0.6777544E+02 0.0000 2 H2O 0.1000000E+01 0.5543951E+02 0.9763673E+06 0.0000 3 Cl- 0.3190371E+00 0.3286406E+00 0.1139007E+05 4.1386 4 SO4-- 0.3909458E-04 0.4011461E-04 0.3767079E+01 4.5462 5 HCO3- 0.5683508E-02 0.7441474E-01 0.4438779E+04 2.3896 6 HS- 0.3055567E-07 0.1172995E-05 0.3792356E-01 -2.8801 7 H4SiO4 0.5454587E-03 0.5456336E-03 0.5126801E+02 -3.2632 8 Al+++ 0.1449758E-09 0.5260384E-09 0.1387509E-04 3.1048 9 Ca++ 0.4169363E-03 0.4476911E-03 0.1754029E+02 5.5614 10 Mg++ 0.3386197E-04 0.3652866E-04 0.8681738E+00 4.4682 11 Fe++ 0.3140895E-06 0.3337226E-06 0.1821956E-01 2.4360 12 K+ 0.9656447E-02 0.9666574E-02 0.3695080E+03 2.6185 13 Na+ 0.3144738E+00 0.3240468E+00 0.7282748E+04 4.1303 14 Mn++ 0.6473133E-05 0.7331811E-05 0.3937644E+00 3.7505 15 Zn++ 0.9135225E-07 0.1817692E-06 0.1161585E-01 1.8996 16 Cu+ 0.3503260E-14 0.2570626E-10 0.1596756E-05 -9.8228 17 Pb++ 0.3052993E-09 0.1577015E-08 0.3194163E-03 -0.5711 18 Ag+ 0.7604279E-14 0.8319352E-09 0.8772886E-04 -9.4855 19 Au+ 0.3155281E-26 0.1021786E-12 0.1967460E-07 -21.8671 20 Ba++ 0.8091602E-06 0.8643243E-06 0.1160449E+00 2.8544 21 F- 0.3305871E-03 0.3462050E-03 0.6429743E+01 1.1582 22 H2AsO3- 0.2999507E-08 0.2756889E-04 0.3367117E+01 -3.8664 Component Tot moles Aq. moles Solid moles Gas moles 1 H+ 0.3234352E+00 0.3234485E+00 -.1329002E-04 0.0000000E+00 2 H2O 0.2606984E+03 0.2606989E+03 -.4895169E-03 0.0000000E+00 3 Cl- 0.1545400E+01 0.1545400E+01 0.0000000E+00 0.0000000E+00 4 SO4-- 0.1886393E-03 0.1886350E-03 0.4250371E-08 0.0000000E+00 5 HCO3- 0.3499280E+00 0.3499280E+00 0.0000000E+00 0.0000000E+00 6 HS- 0.1403031E-04 0.5515895E-05 0.8514415E-05 0.0000000E+00 7 H4SiO4 0.2811741E-02 0.2565789E-02 0.2459523E-03 0.0000000E+00 8 Al+++ 0.2407279E-05 0.2473644E-08 0.2404805E-05 0.0000000E+00 9 Ca++ 0.2105223E-02 0.2105223E-02 0.0000000E+00 0.0000000E+00 10 Mg++ 0.1717724E-03 0.1717724E-03 0.0000000E+00 0.0000000E+00 11 Fe++ 0.1603305E-05 0.1569298E-05 0.3400725E-07 0.0000000E+00 12 K+ 0.4545612E-01 0.4545612E-01 0.0000000E+00 0.0000000E+00 13 Na+ 0.1523798E+01 0.1523798E+01 0.0000000E+00 0.0000000E+00 14 Mn++ 0.3447712E-04 0.3447712E-04 0.0000000E+00 0.0000000E+00 15 Zn++ 0.7468176E-05 0.8547518E-06 0.6613424E-05 0.0000000E+00 16 Cu+ 0.1701571E-06 0.1208812E-09 0.1700362E-06 0.0000000E+00 17 Pb++ 0.1565021E-05 0.7415760E-08 0.1557605E-05 0.0000000E+00 18 Ag+ 0.4271281E-06 0.3912094E-08 0.4232160E-06 0.0000000E+00 19 Au+ 0.3110961E-11 0.4804850E-12 0.2630476E-11 0.0000000E+00 20 Ba++ 0.4064400E-05 0.4064400E-05 0.0000000E+00 0.0000000E+00 21 F- 0.1630400E-02 0.1627995E-02 0.2404805E-05 0.0000000E+00 22 H2AsO3- 0.1296400E-03 0.1296400E-03 0.0000000E+00 0.0000000E+00 Chg. balance for solid moles: 0.1694E-20 Mass of aqueous solution: 0.481025E+04 g Temperature = 63.65 C Pressure = 500.00 bar Mixer frac. = 3.7000000 Log Log Vol Gas or mineral Moles Moles Grams Grams Wt.% (cm3) quartz 0.2447E-03 -3.611 0.1470E-01 -1.833 91.83 0.5553E-02 argentite 0.2116E-06 -6.674 0.5244E-04 -4.280 0.3275 0.7364E-05 bornite 0.3401E-07 -7.468 0.1706E-04 -4.768 0.1066 0.3357E-05 topaz 0.1202E-05 -5.920 0.2213E-03 -3.655 1.382 0.6195E-04 galena 0.1558E-05 -5.808 0.3727E-03 -3.429 2.327 0.4905E-04 gold,native 0.2630E-11 -11.580 0.5181E-09 -9.286 0.3236E-05 0.2687E-10 silver,native 0.1648E-11 -11.783 0.1778E-09 -9.750 0.1110E-05 0.1693E-10 sphalerite 0.6613E-05 -5.180 0.6443E-03 -3.191 4.024 0.1576E-03 Partial press. Fugacity coef Log fugacity Gas or Mineral Mole fraction or activity Activity coef Log activity quartz 0.1000E+01 0.1000E+01 1.0000 0.000 argentite 0.1000E+01 0.1000E+01 1.0000 0.000 bornite 0.1000E+01 0.1000E+01 1.0000 0.000 topaz 0.1000E+01 0.1000E+01 1.0000 0.000 galena 0.1000E+01 0.1000E+01 1.0000 0.000 gold,native 0.6148E+00 0.2891E+00 0.4702 -0.539 silver,native 0.3852E+00 0.3587E-01 0.0931 -1.445 sphalerite 0.1000E+01 0.1000E+01 1.0000 0.000 Total fraction of mixing solution added: 3.7000000 Solid products produced: Mass = 0.016012 g Volume = 0.005832 cm3 WARNING: mineral volume may be in error because some mineral densities were not supplied in SOLTHERM. See mineral list in file Skip_Species.txt. Gas composition at saturation ( 3 iterations) ------------------------------------------------- Temperature: 63.6540 deg.C Sat. pressure: 9.2472 bar Gas Mole fraction phi Fugacity Partial P(bar) H2O,gas 0.3595E-01 0.9446 0.3140E+00 0.3324E+00 CO2,gas 0.9641E+00 0.9623 0.8579E+01 0.8915E+01 CH4,gas 0.3087E-08 1.0066 0.2874E-07 0.2855E-07 H2,gas 0.3368E-07 1.0055 0.3131E-06 0.3114E-06 H2S,gas 0.3998E-05 0.9544 0.3528E-04 0.3697E-04 S2,gas 0.1389E-18 1.0000 0.1284E-17 0.1284E-17 CO,gas 0.6013E-10 1.0000 0.5560E-09 0.5560E-09 SO3,gas 0.1657E-34 1.0000 0.1532E-33 0.1532E-33 O2,gas 0.5039E-59 1.0000 0.4660E-58 0.4660E-58 SO2,gas 0.9402E-16 1.0000 0.8694E-15 0.8694E-15 HF,gas 0.5846E-09 1.0000 0.5406E-08 0.5406E-08 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 148 quartz -3.25 -3.25 0.00 0.000 0.00000E+00 197 argentite -31.45 -31.45 0.00 0.000 0.00000E+00 206 bornite -96.86 -96.86 0.00 0.000 0.00000E+00 226 topaz -13.93 -13.93 0.00 0.000 -0.27376E-11 261 galena -13.05 -13.05 0.00 0.000 0.00000E+00 262 gold,native -21.06 -21.06 0.00 0.000 0.10951E-10 263 silver,native -7.77 -7.77 0.00 0.000 0.00000E+00 273 sphalerite -10.58 -10.58 0.00 0.000 -0.54753E-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 1 H2O,gas 3.20 0.00 -3.20 -3.202 0.49349E+04 -0.503 2 CO2,gas -5.44 -7.20 -1.77 -0.589 0.27210E+04 0.933 3 CH4,gas 5.20 -5.04 -10.24 -2.560 0.15782E+05 -7.542 4 H2,gas 9.74 0.54 -9.20 -5.259 0.14184E+05 -6.504 5 H2S,gas -5.33 -12.48 -7.15 -3.576 0.11021E+05 -4.452 6 S2,gas -5.44 -26.03 -20.59 -3.168 0.31733E+05 -17.891 7 CO,gas 5.29 -6.66 -11.95 -3.678 0.18423E+05 -9.255 8 SO3,gas 21.87 -14.64 -36.51 -9.128 0.56273E+05 -33.815 9 O2,gas 59.94 -1.09 -61.03 -40.687 0.94058E+05 -58.332 10 SO2,gas 3.66 -14.10 -17.76 -4.736 0.27371E+05 -15.061 11 HF,gas 2.53 -8.44 -10.97 -5.483 0.16900E+05 -8.267 12 HCl,gas 4.61 -5.46 -10.07 -5.035 0.15520E+05 -10.071 18 albite 1.20 -2.54 -3.74 -0.288 0.57608E+04 22 analcite 5.21 0.71 -4.50 -0.500 0.69284E+04 26 anhydrite -4.41 -9.09 -4.68 -2.338 0.72075E+04 34 aragonite 1.65 -1.65 -3.29 -1.098 0.50765E+04 36 calcite 1.51 -1.65 -3.16 -1.052 0.48652E+04 53 coesite -2.60 -3.25 -0.66 -0.219 0.10111E+04 60 cristobalite -2.70 -3.25 -0.55 -0.183 0.84717E+03 65 diaspore 4.62 3.10 -1.53 -0.255 0.23535E+04 66 diamond -3.72 -6.12 -2.39 -0.684 0.36888E+04 83 gibbsite 5.80 3.09 -2.71 -0.386 0.41689E+04 87 graphite -4.18 -6.12 -1.94 -0.553 0.29836E+04 90 halite 1.67 -1.33 -3.00 -1.501 0.46253E+04 99 kaolinite 1.37 -0.32 -1.69 -0.154 0.26109E+04 107 magnesite 1.63 -2.74 -4.37 -1.455 0.67283E+04 117 microcline -1.31 -4.05 -2.74 -0.211 0.42239E+04 143 pyrite -22.41 -23.06 -0.65 -0.153 0.10040E+04 145 pyrrhotiteFe0.875 -5.85 -10.41 -4.56 -1.679 0.70354E+04 147 pyrophyllite -3.68 -6.82 -3.14 -0.196 0.48389E+04 153 rhodochrosite -0.44 -3.46 -3.02 -1.007 0.46548E+04 155 sanidine 0.03 -4.05 -4.08 -0.314 0.62913E+04 157 siderite -2.02 -4.77 -2.75 -0.918 0.42432E+04 171 sulfur -9.56 -13.02 -3.46 -1.064 0.53272E+04 172 sylvite 1.27 -2.84 -4.11 -2.055 0.63331E+04 181 tridymite -2.79 -3.25 -0.46 -0.153 0.70811E+03 198 arsenic -8.13 -12.64 -4.51 -1.164 0.69527E+04 208 chalcedony -3.05 -3.25 -0.21 -0.069 0.31950E+03 209 chalcocite -30.85 -32.12 -1.27 -0.317 0.19552E+04 211 covellite -21.81 -22.57 -0.76 -0.288 0.11645E+04 212 dawsonite 3.10 0.02 -3.08 -0.385 0.47486E+04 230 gypsum -4.42 -9.10 -4.68 -1.171 0.72167E+04 246 acanthite -31.40 -31.45 -0.05 -0.011 0.70136E+02 252 barite -9.23 -11.80 -2.56 -1.282 0.39500E+04 253 boehmite 6.42 3.10 -3.32 -0.554 0.51222E+04 255 chalcopyrite -30.54 -32.61 -2.07 -0.386 0.31940E+04 260 fluorite -9.56 -11.32 -1.76 -0.587 0.27156E+04 270 silica-amorphous -2.16 -3.25 -1.10 -0.365 0.16894E+04 274 wurtzite -8.54 -10.58 -2.03 -0.678 0.31352E+04 Calculations done for 63.6540 Deg. C; 500.0000 bar Mixer fraction: 3.7000000 Temperature Stoc.ionic strength Heat per mole Actual solution: 63.654 .37010E+00 1.325 Mixing solution: 25.000 .50000E-10 0.646 Fract. of mixing solution added: 0.100000 BITMOL = 0.5551E+01 OLDMOL = 0.2624E+03 New heat: 1.311 New temperature: 62.855 New mixer fraction: 3.8000000 Resulting temperature: 62.855Deg. C Solids and gases carried Charge balance check after fractionation or titration: TBAL = -.1296E-03 ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ Test file for CHIM-XPT. Mixing of cold water into metal bearing water starting at 199.97 C. Illustrates fluid-fluid mixing. CHIMRUN demo-3 ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ Number of loops used = 7 Loop limit = 70 Temperature = 62.86 C Pressure = 500.00 bar Mixer fraction = 3.8000000 Water: Moles liquid = 0.2666E+03 kg liquid = 0.4802E+01 Moles total = 0.2662E+03 kg total = 0.4797E+01 Activity = 0.9893 Stoichiometric ionic strength = .3623804E+00 Osmotic coef. = 0.9249 True ionic strength = .3190495E+00 Chg. balance for total moles = -.1296E-03 Max. difference allowed = 0.1545E-03 Log Log Log Species(n) Molality Molality Activity Activity Gamma Gamma 1 H+ 0.22293E-04 -4.6518 0.15882E-04 -4.7991 0.71241E+00 -0.1473 2 H2O 0.98933E+00 -0.0047 0.98933E+00 -0.0047 3 Cl- 0.31261E+00 -0.5050 0.21468E+00 -0.6682 0.68673E+00 -0.1632 4 SO4-- 0.38297E-04 -4.4168 0.87909E-05 -5.0560 0.22955E+00 -0.6391 5 HCO3- 0.55656E-02 -2.2545 0.38234E-02 -2.4176 0.68696E+00 -0.1631 6 HS- 0.29536E-07 -7.5297 0.20281E-07 -7.6929 0.68666E+00 -0.1633 7 H4SiO4 0.53569E-03 -3.2711 0.53569E-03 -3.2711 0.10000E+01 0.0000 8 Al+++ 0.15303E-09 -9.8152 0.55231E-11 -11.2578 0.36090E-01 -1.4426 9 Ca++ 0.40885E-03 -3.3884 0.91156E-04 -4.0402 0.22296E+00 -0.6518 10 Mg++ 0.33199E-04 -4.4789 0.73548E-05 -5.1334 0.22154E+00 -0.6546 11 Fe++ 0.30788E-06 -6.5116 0.68275E-07 -7.1657 0.22176E+00 -0.6541 12 K+ 0.94557E-02 -2.0243 0.64773E-02 -2.1886 0.68501E+00 -0.1643 13 Na+ 0.30814E+00 -0.5113 0.21062E+00 -0.6765 0.68352E+00 -0.1653 14 Mn++ 0.63617E-05 -5.1964 0.14122E-05 -5.8501 0.22199E+00 -0.6537 15 Zn++ 0.90957E-07 -7.0412 0.20171E-07 -7.6953 0.22176E+00 -0.6541 16 Cu+ 0.32491E-14 -14.4882 0.22208E-14 -14.6535 0.68351E+00 -0.1653 17 Pb++ 0.29223E-09 -9.5343 0.65580E-10 -10.1832 0.22441E+00 -0.6490 18 Ag+ 0.70198E-14 -14.1537 0.48054E-14 -14.3183 0.68455E+00 -0.1646 19 Au+ 0.27376E-26 -26.5626 0.18761E-26 -26.7267 0.68531E+00 -0.1641 20 Ba++ 0.79378E-06 -6.1003 0.17905E-06 -6.7470 0.22556E+00 -0.6467 21 F- 0.32399E-03 -3.4895 0.22460E-03 -3.6486 0.69324E+00 -0.1591 22 H2AsO3- 0.28530E-08 -8.5447 0.20586E-08 -8.6864 0.72155E+00 -0.1417 24 HSiO3- 0.37218E-07 -7.4293 0.25559E-07 -7.5925 0.68673E+00 -0.1632 25 Ca(HSiO3)+ 0.41967E-10 -10.3771 0.28761E-10 -10.5412 0.68531E+00 -0.1641 27 NaHSiO3,aq 0.13106E-06 -6.8825 0.13106E-06 -6.8825 0.10000E+01 0.0000 32 AgCl2- 0.15762E-10 -10.8024 0.10824E-10 -10.9656 0.68673E+00 -0.1632 38 Ag(HS),aq 0.78847E-09 -9.1032 0.78847E-09 -9.1032 0.10000E+01 0.0000 40 AlO+ 0.83077E-10 -10.0805 0.56933E-10 -10.2446 0.68531E+00 -0.1641 41 AlOH+2 0.10144E-09 -9.9938 0.22551E-10 -10.6468 0.22230E+00 -0.6531 42 HAlO2,aq 0.17682E-09 -9.7525 0.17682E-09 -9.7525 0.10000E+01 0.0000 43 AlO2- 0.13218E-10 -10.8788 0.91395E-11 -11.0391 0.69144E+00 -0.1602 44 AsO2- 0.32235E-08 -8.4917 0.22137E-08 -8.6549 0.68673E+00 -0.1632 45 HAsO2,aq 0.12696E-04 -4.8963 0.12696E-04 -4.8963 0.10000E+01 0.0000 46 H3AsO3,aq 0.14293E-04 -4.8449 0.14293E-04 -4.8449 0.10000E+01 0.0000 63 Ba(HCO3)+ 0.18252E-07 -7.7387 0.12538E-07 -7.9018 0.68695E+00 -0.1631 64 BaCl+ 0.34229E-07 -7.4656 0.23457E-07 -7.6297 0.68531E+00 -0.1641 65 BaF+ 0.61217E-10 -10.2131 0.41952E-10 -10.3772 0.68531E+00 -0.1641 66 CH4,aq 0.10967E-10 -10.9599 0.10332E-10 -10.9858 0.94216E+00 -0.0259 72 CO2,aq 0.67292E-01 -1.1720 0.63400E-01 -1.1979 0.94216E+00 -0.0259 73 CO3-2 0.14088E-06 -6.8512 0.32185E-07 -7.4924 0.22846E+00 -0.6412 74 CaCO3,aq 0.12820E-07 -7.8921 0.12820E-07 -7.8921 0.10000E+01 0.0000 75 Ca(HCO3)+ 0.68418E-05 -5.1648 0.46887E-05 -5.3289 0.68531E+00 -0.1641 76 CaCl+ 0.21570E-04 -4.6661 0.14782E-04 -4.8303 0.68531E+00 -0.1641 77 CaCl2,aq 0.75285E-06 -6.1233 0.75285E-06 -6.1233 0.10000E+01 0.0000 78 CaF+ 0.20384E-06 -6.6907 0.13970E-06 -6.8548 0.68531E+00 -0.1641 79 CaOH+ 0.36523E-10 -10.4374 0.25029E-10 -10.6016 0.68531E+00 -0.1641 80 CaSO4,aq 0.13426E-06 -6.8720 0.13426E-06 -6.8720 0.10000E+01 0.0000 81 HCl,aq 0.73217E-06 -6.1354 0.73217E-06 -6.1354 0.10000E+01 0.0000 91 CuCl2- 0.18596E-10 -10.7306 0.12770E-10 -10.8938 0.68673E+00 -0.1632 98 HF,aq 0.85146E-05 -5.0698 0.85146E-05 -5.0698 0.10000E+01 0.0000 99 HF2- 0.72094E-09 -9.1421 0.49509E-09 -9.3053 0.68673E+00 -0.1632 101 FeCl+ 0.18187E-07 -7.7402 0.12464E-07 -7.9044 0.68531E+00 -0.1641 104 FeF+ 0.67165E-09 -9.1729 0.46028E-09 -9.3370 0.68531E+00 -0.1641 107 FeOH+ 0.38925E-10 -10.4098 0.26676E-10 -10.5739 0.68531E+00 -0.1641 113 H2,aq 0.14119E-09 -9.8502 0.13302E-09 -9.8761 0.94216E+00 -0.0259 114 KCl,aq 0.87793E-05 -5.0565 0.87793E-05 -5.0565 0.10000E+01 0.0000 116 KOH,aq 0.29380E-10 -10.5319 0.29380E-10 -10.5319 0.10000E+01 0.0000 117 KSO4- 0.80411E-06 -6.0947 0.55221E-06 -6.2579 0.68673E+00 -0.1632 118 MgCO3,aq 0.32844E-09 -9.4835 0.32844E-09 -9.4835 0.10000E+01 0.0000 119 Mg(HCO3)+ 0.55467E-06 -6.2560 0.38012E-06 -6.4201 0.68531E+00 -0.1641 120 MgCl+ 0.19468E-05 -5.7107 0.13341E-05 -5.8748 0.68531E+00 -0.1641 121 MgF+ 0.67098E-07 -7.1733 0.45983E-07 -7.3374 0.68531E+00 -0.1641 122 MgOH+ 0.23340E-10 -10.6319 0.15995E-10 -10.7960 0.68531E+00 -0.1641 124 MnF+ 0.41901E-08 -8.3778 0.28715E-08 -8.5419 0.68531E+00 -0.1641 126 MnOH+ 0.58627E-10 -10.2319 0.40177E-10 -10.3960 0.68531E+00 -0.1641 131 MnCl+ 0.81153E-06 -6.0907 0.55615E-06 -6.2548 0.68531E+00 -0.1641 132 MnSO4,aq 0.16782E-08 -8.7752 0.16782E-08 -8.7752 0.10000E+01 0.0000 133 NaCl,aq 0.91542E-02 -2.0384 0.91542E-02 -2.0384 0.10000E+01 0.0000 134 NaF,aq 0.62184E-05 -5.2063 0.62184E-05 -5.2063 0.10000E+01 0.0000 135 NaOH,aq 0.12250E-08 -8.9119 0.12250E-08 -8.9119 0.10000E+01 0.0000 137 OH- 0.14484E-07 -7.8391 0.10015E-07 -7.9994 0.69144E+00 -0.1602 140 PbCl+ 0.70579E-09 -9.1513 0.48369E-09 -9.3154 0.68531E+00 -0.1641 141 PbCl2,aq 0.41081E-09 -9.3864 0.41081E-09 -9.3864 0.10000E+01 0.0000 142 PbCl3- 0.52303E-10 -10.2815 0.35918E-10 -10.4447 0.68673E+00 -0.1632 143 PbCl4-2 0.10722E-10 -10.9697 0.24496E-11 -11.6109 0.22846E+00 -0.6412 150 H2S,aq 0.11165E-05 -5.9522 0.10519E-05 -5.9780 0.94216E+00 -0.0259 159 HSO4- 0.42484E-07 -7.3718 0.29253E-07 -7.5338 0.68857E+00 -0.1621 173 ZnCl+ 0.76769E-07 -7.1148 0.52610E-07 -7.2789 0.68531E+00 -0.1641 174 ZnCl2,aq 0.71935E-08 -8.1431 0.71935E-08 -8.1431 0.10000E+01 0.0000 175 ZnCl3- 0.49657E-09 -9.3040 0.34101E-09 -9.4672 0.68673E+00 -0.1632 176 ZnF+ 0.11469E-09 -9.9405 0.78600E-10 -10.1046 0.68531E+00 -0.1641 178 ZnOH+ 0.78849E-09 -9.1032 0.54036E-09 -9.2673 0.68531E+00 -0.1641 Charge balance for all species = -.2699E-04 Component Molality Aq.molality ppm log[A(N)/A(H+)**Z] (total) 1 H+ 0.2229267E-04 0.6735140E-01 0.6639515E+02 0.0000 2 H2O 0.1000000E+01 0.5544095E+02 0.9768484E+06 0.0000 3 Cl- 0.3126076E+00 0.3217973E+00 0.1115811E+05 4.1309 4 SO4-- 0.3829682E-04 0.3927931E-04 0.3690360E+01 4.5422 5 HCO3- 0.5565592E-02 0.7286521E-01 0.4348381E+04 2.3816 6 HS- 0.2953551E-07 0.1146831E-05 0.3709495E-01 -2.8938 7 H4SiO4 0.5356869E-03 0.5358552E-03 0.5037273E+02 -3.2711 8 Al+++ 0.1530350E-09 0.5275921E-09 0.1392257E-04 3.1395 9 Ca++ 0.4088529E-03 0.4383689E-03 0.1718307E+02 5.5580 10 Mg++ 0.3319912E-04 0.3576802E-04 0.8504929E+00 4.4648 11 Fe++ 0.3078755E-06 0.3267732E-06 0.1784848E-01 2.4325 12 K+ 0.9455705E-02 0.9465288E-02 0.3619828E+03 2.6105 13 Na+ 0.3081386E+00 0.3172992E+00 0.7134430E+04 4.1226 14 Mn++ 0.6361689E-05 0.7179142E-05 0.3857451E+00 3.7481 15 Zn++ 0.9095694E-07 0.1763188E-06 0.1127281E-01 1.9029 16 Cu+ 0.3249056E-14 0.2323273E-10 0.1443785E-05 -9.8544 17 Pb++ 0.2922320E-09 0.1474848E-08 0.2988622E-03 -0.5850 18 Ag+ 0.7019829E-14 0.8077732E-09 0.8522072E-04 -9.5192 19 Au+ 0.2737615E-26 0.9662820E-13 0.1861454E-07 -21.9276 20 Ba++ 0.7937793E-06 0.8463266E-06 0.1136816E+00 2.8512 21 F- 0.3239856E-03 0.3389961E-03 0.6298797E+01 1.1505 22 H2AsO3- 0.2852966E-08 0.2699483E-04 0.3298543E+01 -3.8873 Component Tot moles Aq. moles Solid moles Gas moles 1 H+ 0.3234352E+00 0.3234485E+00 -.1329826E-04 0.0000000E+00 2 H2O 0.2662492E+03 0.2662497E+03 -.4743106E-03 0.0000000E+00 3 Cl- 0.1545400E+01 0.1545400E+01 0.0000000E+00 0.0000000E+00 4 SO4-- 0.1886393E-03 0.1886350E-03 0.4250601E-08 0.0000000E+00 5 HCO3- 0.3499280E+00 0.3499280E+00 0.0000000E+00 0.0000000E+00 6 HS- 0.1403031E-04 0.5507541E-05 0.8522770E-05 0.0000000E+00 7 H4SiO4 0.2811741E-02 0.2573392E-02 0.2383492E-03 0.0000000E+00 8 Al+++ 0.2407279E-05 0.2533709E-08 0.2404745E-05 0.0000000E+00 9 Ca++ 0.2105223E-02 0.2105223E-02 0.0000000E+00 0.0000000E+00 10 Mg++ 0.1717724E-03 0.1717724E-03 0.0000000E+00 0.0000000E+00 11 Fe++ 0.1603305E-05 0.1569296E-05 0.3400911E-07 0.0000000E+00 12 K+ 0.4545612E-01 0.4545612E-01 0.0000000E+00 0.0000000E+00 13 Na+ 0.1523798E+01 0.1523798E+01 0.0000000E+00 0.0000000E+00 14 Mn++ 0.3447712E-04 0.3447712E-04 0.0000000E+00 0.0000000E+00 15 Zn++ 0.7468176E-05 0.8467537E-06 0.6621423E-05 0.0000000E+00 16 Cu+ 0.1701571E-06 0.1115729E-09 0.1700456E-06 0.0000000E+00 17 Pb++ 0.1565021E-05 0.7082811E-08 0.1557938E-05 0.0000000E+00 18 Ag+ 0.4271281E-06 0.3879251E-08 0.4232489E-06 0.0000000E+00 19 Au+ 0.3110961E-11 0.4640474E-12 0.2646913E-11 0.0000000E+00 20 Ba++ 0.4064400E-05 0.4064400E-05 0.0000000E+00 0.0000000E+00 21 F- 0.1630400E-02 0.1627995E-02 0.2404745E-05 0.0000000E+00 22 H2AsO3- 0.1296400E-03 0.1296400E-03 0.0000000E+00 0.0000000E+00 Chg. balance for solid moles: -.1271E-20 Mass of aqueous solution: 0.491025E+04 g Temperature = 62.86 C Pressure = 500.00 bar Mixer frac. = 3.8000000 Log Log Vol Gas or mineral Moles Moles Grams Grams Wt.% (cm3) quartz 0.2371E-03 -3.625 0.1425E-01 -1.846 91.59 0.5381E-02 argentite 0.2116E-06 -6.674 0.5244E-04 -4.280 0.3371 0.7364E-05 bornite 0.3401E-07 -7.468 0.1707E-04 -4.768 0.1097 0.3357E-05 topaz 0.1202E-05 -5.920 0.2213E-03 -3.655 1.422 0.6195E-04 galena 0.1558E-05 -5.807 0.3727E-03 -3.429 2.396 0.4906E-04 gold,native 0.2647E-11 -11.577 0.5214E-09 -9.283 0.3351E-05 0.2704E-10 silver,native 0.1652E-11 -11.782 0.1782E-09 -9.749 0.1146E-05 0.1697E-10 sphalerite 0.6621E-05 -5.179 0.6451E-03 -3.190 4.147 0.1578E-03 Partial press. Fugacity coef Log fugacity Gas or Mineral Mole fraction or activity Activity coef Log activity quartz 0.1000E+01 0.1000E+01 1.0000 0.000 argentite 0.1000E+01 0.1000E+01 1.0000 0.000 bornite 0.1000E+01 0.1000E+01 1.0000 0.000 topaz 0.1000E+01 0.1000E+01 1.0000 0.000 galena 0.1000E+01 0.1000E+01 1.0000 0.000 gold,native 0.6157E+00 0.2900E+00 0.4710 -0.538 silver,native 0.3843E+00 0.3535E-01 0.0920 -1.452 sphalerite 0.1000E+01 0.1000E+01 1.0000 0.000 Total fraction of mixing solution added: 3.8000000 Solid products produced: Mass = 0.015556 g Volume = 0.005660 cm3 WARNING: mineral volume may be in error because some mineral densities were not supplied in SOLTHERM. See mineral list in file Skip_Species.txt. Gas composition at saturation ( 3 iterations) ------------------------------------------------- Temperature: 62.8552 deg.C Sat. pressure: 8.9409 bar Gas Mole fraction phi Fugacity Partial P(bar) H2O,gas 0.3583E-01 0.9462 0.3031E+00 0.3203E+00 CO2,gas 0.9642E+00 0.9633 0.8304E+01 0.8620E+01 CH4,gas 0.3067E-08 1.0063 0.2760E-07 0.2742E-07 H2,gas 0.3297E-07 1.0053 0.2964E-06 0.2948E-06 H2S,gas 0.4001E-05 0.9556 0.3418E-04 0.3577E-04 S2,gas 0.1302E-18 1.0000 0.1164E-17 0.1164E-17 CO,gas 0.5700E-10 1.0000 0.5096E-09 0.5096E-09 SO3,gas 0.1381E-34 1.0000 0.1235E-33 0.1235E-33 O2,gas 0.3593E-59 1.0000 0.3213E-58 0.3213E-58 SO2,gas 0.8677E-16 1.0000 0.7758E-15 0.7758E-15 HF,gas 0.5610E-09 1.0000 0.5016E-08 0.5016E-08 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 148 quartz -3.26 -3.26 0.00 0.000 0.00000E+00 197 argentite -31.53 -31.53 0.00 0.000 0.00000E+00 206 bornite -97.08 -97.08 0.00 0.000 0.21849E-10 226 topaz -13.89 -13.89 0.00 0.000 -0.27312E-11 261 galena -13.08 -13.08 0.00 0.000 0.00000E+00 262 gold,native -21.12 -21.12 0.00 0.000 -0.10925E-10 263 silver,native -7.80 -7.80 0.00 0.000 0.27312E-11 273 sphalerite -10.59 -10.59 0.00 0.000 0.27312E-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 1 H2O,gas 3.21 0.00 -3.22 -3.217 0.49467E+04 -0.518 2 CO2,gas -5.43 -7.21 -1.78 -0.593 0.27363E+04 0.919 3 CH4,gas 5.20 -5.06 -10.26 -2.565 0.15772E+05 -7.559 4 H2,gas 9.76 0.54 -9.23 -5.273 0.14187E+05 -6.528 5 H2S,gas -5.33 -12.49 -7.17 -3.583 0.11017E+05 -4.466 6 S2,gas -5.42 -26.06 -20.63 -3.174 0.31723E+05 -17.934 7 CO,gas 5.32 -6.67 -11.99 -3.690 0.18437E+05 -9.293 8 SO3,gas 21.96 -14.65 -36.61 -9.152 0.56284E+05 -33.908 9 O2,gas 60.11 -1.08 -61.19 -40.795 0.94083E+05 -58.493 10 SO2,gas 3.70 -14.11 -17.81 -4.749 0.27382E+05 -15.110 11 HF,gas 2.55 -8.45 -11.00 -5.499 0.16910E+05 -8.300 12 HCl,gas 4.64 -5.47 -10.11 -5.054 0.15541E+05 -10.108 18 albite 1.23 -2.53 -3.76 -0.289 0.57850E+04 22 analcite 5.25 0.72 -4.52 -0.502 0.69512E+04 26 anhydrite -4.40 -9.10 -4.70 -2.349 0.72220E+04 34 aragonite 1.66 -1.66 -3.32 -1.106 0.51007E+04 36 calcite 1.52 -1.66 -3.18 -1.060 0.48899E+04 53 coesite -2.60 -3.26 -0.66 -0.219 0.10108E+04 60 cristobalite -2.71 -3.26 -0.55 -0.184 0.84867E+03 65 diaspore 4.66 3.13 -1.53 -0.255 0.23530E+04 66 diamond -3.74 -6.13 -2.39 -0.683 0.36778E+04 83 gibbsite 5.83 3.13 -2.71 -0.387 0.41644E+04 87 graphite -4.20 -6.13 -1.93 -0.553 0.29733E+04 90 halite 1.67 -1.34 -3.02 -1.509 0.46392E+04 99 kaolinite 1.43 -0.27 -1.69 -0.154 0.26054E+04 107 magnesite 1.64 -2.75 -4.40 -1.465 0.67588E+04 117 microcline -1.29 -4.04 -2.76 -0.212 0.42368E+04 143 pyrite -22.44 -23.09 -0.65 -0.152 0.99268E+03 145 pyrrhotiteFe0.875 -5.85 -10.43 -4.58 -1.685 0.70443E+04 147 pyrophyllite -3.64 -6.79 -3.15 -0.197 0.48389E+04 153 rhodochrosite -0.43 -3.47 -3.04 -1.013 0.46740E+04 155 sanidine 0.06 -4.04 -4.10 -0.315 0.63043E+04 157 siderite -2.01 -4.78 -2.77 -0.925 0.42659E+04 171 sulfur -9.57 -13.03 -3.45 -1.063 0.53114E+04 172 sylvite 1.26 -2.86 -4.12 -2.061 0.63365E+04 181 tridymite -2.80 -3.26 -0.46 -0.154 0.70872E+03 198 arsenic -8.15 -12.67 -4.51 -1.165 0.69414E+04 208 chalcedony -3.05 -3.26 -0.21 -0.069 0.31947E+03 209 chalcocite -30.93 -32.20 -1.27 -0.317 0.19511E+04 211 covellite -21.86 -22.61 -0.75 -0.286 0.11532E+04 212 dawsonite 3.13 0.04 -3.09 -0.386 0.47521E+04 230 gypsum -4.41 -9.11 -4.70 -1.174 0.72195E+04 246 acanthite -31.49 -31.53 -0.04 -0.011 0.68498E+02 252 barite -9.24 -11.80 -2.57 -1.284 0.39473E+04 253 boehmite 6.46 3.13 -3.33 -0.556 0.51245E+04 255 chalcopyrite -30.60 -32.67 -2.08 -0.387 0.31955E+04 260 fluorite -9.56 -11.34 -1.78 -0.594 0.27390E+04 270 silica-amorphous -2.16 -3.26 -1.10 -0.367 0.16917E+04 274 wurtzite -8.55 -10.59 -2.04 -0.680 0.31353E+04 Calculations done for 62.8552 Deg. C; 500.0000 bar Mixer fraction: 3.8000000 Temperature Stoc.ionic strength Heat per mole Actual solution: 62.855 .36238E+00 1.311 Mixing solution: 25.000 .50000E-10 0.646 Fract. of mixing solution added: 0.100000 BITMOL = 0.5551E+01 OLDMOL = 0.2680E+03 New heat: 1.297 New temperature: 62.089 New mixer fraction: 3.9000000 Resulting temperature: 62.089Deg. C Solids and gases carried Charge balance check after fractionation or titration: TBAL = -.1296E-03 ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ Test file for CHIM-XPT. Mixing of cold water into metal bearing water starting at 199.97 C. Illustrates fluid-fluid mixing. CHIMRUN demo-3 ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ Number of loops used = 7 Loop limit = 70 Temperature = 62.09 C Pressure = 500.00 bar Mixer fraction = 3.9000000 Water: Moles liquid = 0.2721E+03 kg liquid = 0.4902E+01 Moles total = 0.2718E+03 kg total = 0.4897E+01 Activity = 0.9895 Stoichiometric ionic strength = .3549797E+00 Osmotic coef. = 0.9249 True ionic strength = .3127424E+00 Chg. balance for total moles = -.1296E-03 Max. difference allowed = 0.1545E-03 Log Log Log Species(n) Molality Molality Activity Activity Gamma Gamma 1 H+ 0.22235E-04 -4.6530 0.15872E-04 -4.7994 0.71382E+00 -0.1464 2 H2O 0.98955E+00 -0.0046 0.98955E+00 -0.0046 3 Cl- 0.30643E+00 -0.5137 0.21087E+00 -0.6760 0.68814E+00 -0.1623 4 SO4-- 0.37531E-04 -4.4256 0.87046E-05 -5.0603 0.23193E+00 -0.6346 5 HCO3- 0.54525E-02 -2.2634 0.37533E-02 -2.4256 0.68836E+00 -0.1622 6 HS- 0.28580E-07 -7.5439 0.19665E-07 -7.7063 0.68807E+00 -0.1624 7 H4SiO4 0.52639E-03 -3.2787 0.52639E-03 -3.2787 0.10000E+01 0.0000 8 Al+++ 0.16117E-09 -9.7927 0.59567E-11 -11.2250 0.36958E-01 -1.4323 9 Ca++ 0.40107E-03 -3.3968 0.90383E-04 -4.0439 0.22535E+00 -0.6471 10 Mg++ 0.32562E-04 -4.4873 0.72917E-05 -5.1372 0.22394E+00 -0.6499 11 Fe++ 0.30190E-06 -6.5201 0.67675E-07 -7.1696 0.22416E+00 -0.6494 12 K+ 0.92631E-02 -2.0332 0.63585E-02 -2.1966 0.68643E+00 -0.1634 13 Na+ 0.30205E+00 -0.5199 0.20689E+00 -0.6843 0.68496E+00 -0.1643 14 Mn++ 0.62536E-05 -5.2039 0.14032E-05 -5.8529 0.22439E+00 -0.6490 15 Zn++ 0.90557E-07 -7.0431 0.20299E-07 -7.6925 0.22416E+00 -0.6494 16 Cu+ 0.30212E-14 -14.5198 0.20694E-14 -14.6842 0.68495E+00 -0.1643 17 Pb++ 0.28008E-09 -9.5527 0.63525E-10 -10.1971 0.22681E+00 -0.6443 18 Ag+ 0.64980E-14 -14.1872 0.44575E-14 -14.3509 0.68598E+00 -0.1637 19 Au+ 0.23863E-26 -26.6223 0.16387E-26 -26.7855 0.68672E+00 -0.1632 20 Ba++ 0.77895E-06 -6.1085 0.17756E-06 -6.7506 0.22795E+00 -0.6422 21 F- 0.31764E-03 -3.4981 0.22063E-03 -3.6563 0.69460E+00 -0.1583 22 H2AsO3- 0.27182E-08 -8.5657 0.19643E-08 -8.7068 0.72264E+00 -0.1411 24 HSiO3- 0.35906E-07 -7.4448 0.24708E-07 -7.6072 0.68814E+00 -0.1623 25 Ca(HSiO3)+ 0.39803E-10 -10.4001 0.27334E-10 -10.5633 0.68672E+00 -0.1632 27 NaHSiO3,aq 0.12622E-06 -6.8989 0.12622E-06 -6.8989 0.10000E+01 0.0000 32 AgCl2- 0.14301E-10 -10.8446 0.98411E-11 -11.0070 0.68814E+00 -0.1623 38 Ag(HS),aq 0.76758E-09 -9.1149 0.76758E-09 -9.1149 0.10000E+01 0.0000 40 AlO+ 0.82539E-10 -10.0833 0.56682E-10 -10.2466 0.68672E+00 -0.1632 41 AlOH+2 0.10371E-09 -9.9842 0.23302E-10 -10.6326 0.22470E+00 -0.6484 42 HAlO2,aq 0.17008E-09 -9.7694 0.17008E-09 -9.7694 0.10000E+01 0.0000 43 AlO2- 0.12414E-10 -10.9061 0.86005E-11 -11.0655 0.69282E+00 -0.1594 44 AsO2- 0.31031E-08 -8.5082 0.21354E-08 -8.6705 0.68814E+00 -0.1623 45 HAsO2,aq 0.12468E-04 -4.9042 0.12468E-04 -4.9042 0.10000E+01 0.0000 46 H3AsO3,aq 0.13970E-04 -4.8548 0.13970E-04 -4.8548 0.10000E+01 0.0000 63 Ba(HCO3)+ 0.17314E-07 -7.7616 0.11918E-07 -7.9238 0.68835E+00 -0.1622 64 BaCl+ 0.32738E-07 -7.4849 0.22482E-07 -7.6482 0.68672E+00 -0.1632 65 BaF+ 0.58743E-10 -10.2310 0.40340E-10 -10.3943 0.68672E+00 -0.1632 66 CH4,aq 0.10582E-10 -10.9754 0.99789E-11 -11.0009 0.94297E+00 -0.0255 72 CO2,aq 0.65919E-01 -1.1810 0.62160E-01 -1.2065 0.94297E+00 -0.0255 73 CO3-2 0.13628E-06 -6.8656 0.31461E-07 -7.5022 0.23085E+00 -0.6367 74 CaCO3,aq 0.12207E-07 -7.9134 0.12207E-07 -7.9134 0.10000E+01 0.0000 75 Ca(HCO3)+ 0.65859E-05 -5.1814 0.45227E-05 -5.3446 0.68672E+00 -0.1632 76 CaCl+ 0.20714E-04 -4.6837 0.14225E-04 -4.8469 0.68672E+00 -0.1632 77 CaCl2,aq 0.71589E-06 -6.1452 0.71589E-06 -6.1452 0.10000E+01 0.0000 78 CaF+ 0.19583E-06 -6.7081 0.13448E-06 -6.8713 0.68672E+00 -0.1632 79 CaOH+ 0.33973E-10 -10.4689 0.23330E-10 -10.6321 0.68672E+00 -0.1632 80 CaSO4,aq 0.13059E-06 -6.8841 0.13059E-06 -6.8841 0.10000E+01 0.0000 81 HCl,aq 0.71990E-06 -6.1427 0.71990E-06 -6.1427 0.10000E+01 0.0000 91 CuCl2- 0.16820E-10 -10.7742 0.11575E-10 -10.9365 0.68814E+00 -0.1623 98 HF,aq 0.82256E-05 -5.0848 0.82256E-05 -5.0848 0.10000E+01 0.0000 99 HF2- 0.68026E-09 -9.1673 0.46811E-09 -9.3296 0.68814E+00 -0.1623 101 FeCl+ 0.17521E-07 -7.7565 0.12032E-07 -7.9197 0.68672E+00 -0.1632 104 FeF+ 0.64828E-09 -9.1882 0.44519E-09 -9.3515 0.68672E+00 -0.1632 107 FeOH+ 0.36958E-10 -10.4323 0.25380E-10 -10.5955 0.68672E+00 -0.1632 113 H2,aq 0.13363E-09 -9.8741 0.12601E-09 -9.8996 0.94297E+00 -0.0255 114 KCl,aq 0.83079E-05 -5.0805 0.83079E-05 -5.0805 0.10000E+01 0.0000 116 KOH,aq 0.27538E-10 -10.5601 0.27538E-10 -10.5601 0.10000E+01 0.0000 117 KSO4- 0.77404E-06 -6.1112 0.53265E-06 -6.2736 0.68814E+00 -0.1623 118 MgCO3,aq 0.31459E-09 -9.5023 0.31459E-09 -9.5023 0.10000E+01 0.0000 119 Mg(HCO3)+ 0.53366E-06 -6.2727 0.36648E-06 -6.4360 0.68672E+00 -0.1632 120 MgCl+ 0.18782E-05 -5.7263 0.12898E-05 -5.8895 0.68672E+00 -0.1632 121 MgF+ 0.64613E-07 -7.1897 0.44372E-07 -7.3529 0.68672E+00 -0.1632 122 MgOH+ 0.21912E-10 -10.6593 0.15047E-10 -10.8225 0.68672E+00 -0.1632 124 MnF+ 0.40476E-08 -8.3928 0.27796E-08 -8.5560 0.68672E+00 -0.1632 126 MnOH+ 0.55459E-10 -10.2560 0.38085E-10 -10.4192 0.68672E+00 -0.1632 131 MnCl+ 0.77341E-06 -6.1116 0.53112E-06 -6.2748 0.68672E+00 -0.1632 132 MnSO4,aq 0.16304E-08 -8.7877 0.16304E-08 -8.7877 0.10000E+01 0.0000 133 NaCl,aq 0.87688E-02 -2.0571 0.87688E-02 -2.0571 0.10000E+01 0.0000 134 NaF,aq 0.59479E-05 -5.2256 0.59479E-05 -5.2256 0.10000E+01 0.0000 135 NaOH,aq 0.11548E-08 -8.9375 0.11548E-08 -8.9375 0.10000E+01 0.0000 137 OH- 0.13906E-07 -7.8568 0.96346E-08 -8.0162 0.69282E+00 -0.1594 140 PbCl+ 0.66436E-09 -9.1776 0.45623E-09 -9.3408 0.68672E+00 -0.1632 141 PbCl2,aq 0.37842E-09 -9.4220 0.37842E-09 -9.4220 0.10000E+01 0.0000 142 PbCl3- 0.47137E-10 -10.3266 0.32437E-10 -10.4890 0.68814E+00 -0.1623 150 H2S,aq 0.10925E-05 -5.9616 0.10302E-05 -5.9871 0.94297E+00 -0.0255 159 HSO4- 0.40927E-07 -7.3880 0.28238E-07 -7.5492 0.68995E+00 -0.1612 173 ZnCl+ 0.72666E-07 -7.1387 0.49902E-07 -7.3019 0.68672E+00 -0.1632 174 ZnCl2,aq 0.67372E-08 -8.1715 0.67372E-08 -8.1715 0.10000E+01 0.0000 175 ZnCl3- 0.46064E-09 -9.3366 0.31699E-09 -9.4990 0.68814E+00 -0.1623 176 ZnF+ 0.11222E-09 -9.9499 0.77065E-10 -10.1131 0.68672E+00 -0.1632 178 ZnOH+ 0.74565E-09 -9.1275 0.51205E-09 -9.2907 0.68672E+00 -0.1632 Charge balance for all species = -.2644E-04 Component Molality Aq.molality ppm log[A(N)/A(H+)**Z] (total) 1 H+ 0.2223477E-04 0.6597756E-01 0.6506996E+02 0.0000 2 H2O 0.1000000E+01 0.5544232E+02 0.9773104E+06 0.0000 3 Cl- 0.3064306E+00 0.3152333E+00 0.1093540E+05 4.1234 4 SO4-- 0.3753095E-04 0.3847809E-04 0.3616703E+01 4.5385 5 HCO3- 0.5452479E-02 0.7137890E-01 0.4261591E+04 2.3738 6 HS- 0.2857969E-07 0.1121927E-05 0.3630568E-01 -2.9069 7 H4SiO4 0.5263949E-03 0.5265571E-03 0.4952085E+02 -3.2787 8 Al+++ 0.1611735E-09 0.5299070E-09 0.1398992E-04 3.1731 9 Ca++ 0.4010721E-03 0.4294270E-03 0.1684011E+02 5.5548 10 Mg++ 0.3256159E-04 0.3503842E-04 0.8335178E+00 4.4616 11 Fe++ 0.3019015E-06 0.3201073E-06 0.1749222E-01 2.4292 12 K+ 0.9263133E-02 0.9272214E-02 0.3547579E+03 2.6027 13 Na+ 0.3020521E+00 0.3108269E+00 0.6992033E+04 4.1151 14 Mn++ 0.6253557E-05 0.7032701E-05 0.3780460E+00 3.7459 15 Zn++ 0.9055655E-07 0.1712784E-06 0.1095546E-01 1.9062 16 Cu+ 0.3021248E-14 0.2106197E-10 0.1309471E-05 -9.8848 17 Pb++ 0.2800844E-09 0.1382284E-08 0.2802307E-03 -0.5983 18 Ag+ 0.6498023E-14 0.7850671E-09 0.8286232E-04 -9.5515 19 Au+ 0.2386286E-26 0.9152491E-13 0.1763934E-07 -21.9861 20 Ba++ 0.7789473E-06 0.8290631E-06 0.1114126E+00 2.8481 21 F- 0.3176411E-03 0.3320812E-03 0.6173079E+01 1.1431 22 H2AsO3- 0.2718211E-08 0.2644418E-04 0.3232707E+01 -3.9074 Component Tot moles Aq. moles Solid moles Gas moles 1 H+ 0.3234352E+00 0.3234485E+00 -.1330553E-04 0.0000000E+00 2 H2O 0.2718000E+03 0.2718005E+03 -.4583061E-03 0.0000000E+00 3 Cl- 0.1545400E+01 0.1545400E+01 0.0000000E+00 0.0000000E+00 4 SO4-- 0.1886393E-03 0.1886350E-03 0.4250807E-08 0.0000000E+00 5 HCO3- 0.3499280E+00 0.3499280E+00 0.0000000E+00 0.0000000E+00 6 HS- 0.1403031E-04 0.5500135E-05 0.8530176E-05 0.0000000E+00 7 H4SiO4 0.2811741E-02 0.2581394E-02 0.2303469E-03 0.0000000E+00 8 Al+++ 0.2407279E-05 0.2597817E-08 0.2404681E-05 0.0000000E+00 9 Ca++ 0.2105223E-02 0.2105223E-02 0.0000000E+00 0.0000000E+00 10 Mg++ 0.1717724E-03 0.1717724E-03 0.0000000E+00 0.0000000E+00 11 Fe++ 0.1603305E-05 0.1569294E-05 0.3401077E-07 0.0000000E+00 12 K+ 0.4545612E-01 0.4545612E-01 0.0000000E+00 0.0000000E+00 13 Na+ 0.1523798E+01 0.1523798E+01 0.0000000E+00 0.0000000E+00 14 Mn++ 0.3447712E-04 0.3447712E-04 0.0000000E+00 0.0000000E+00 15 Zn++ 0.7468176E-05 0.8396756E-06 0.6628501E-05 0.0000000E+00 16 Cu+ 0.1701571E-06 0.1032542E-09 0.1700539E-06 0.0000000E+00 17 Pb++ 0.1565021E-05 0.6776510E-08 0.1558244E-05 0.0000000E+00 18 Ag+ 0.4271281E-06 0.3848714E-08 0.4232794E-06 0.0000000E+00 19 Au+ 0.3110961E-11 0.4486918E-12 0.2662269E-11 0.0000000E+00 20 Ba++ 0.4064400E-05 0.4064400E-05 0.0000000E+00 0.0000000E+00 21 F- 0.1630400E-02 0.1627995E-02 0.2404681E-05 0.0000000E+00 22 H2AsO3- 0.1296400E-03 0.1296400E-03 0.0000000E+00 0.0000000E+00 Chg. balance for solid moles: -.3812E-20 Mass of aqueous solution: 0.501025E+04 g Temperature = 62.09 C Pressure = 500.00 bar Mixer frac. = 3.9000000 Log Log Vol Gas or mineral Moles Moles Grams Grams Wt.% (cm3) quartz 0.2291E-03 -3.640 0.1377E-01 -1.861 91.31 0.5199E-02 argentite 0.2116E-06 -6.674 0.5244E-04 -4.280 0.3479 0.7365E-05 bornite 0.3401E-07 -7.468 0.1707E-04 -4.768 0.1132 0.3358E-05 topaz 0.1202E-05 -5.920 0.2213E-03 -3.655 1.468 0.6195E-04 galena 0.1558E-05 -5.807 0.3728E-03 -3.429 2.473 0.4907E-04 gold,native 0.2662E-11 -11.575 0.5244E-09 -9.280 0.3478E-05 0.2720E-10 silver,native 0.1656E-11 -11.781 0.1786E-09 -9.748 0.1185E-05 0.1701E-10 sphalerite 0.6629E-05 -5.179 0.6458E-03 -3.190 4.284 0.1579E-03 Partial press. Fugacity coef Log fugacity Gas or Mineral Mole fraction or activity Activity coef Log activity quartz 0.1000E+01 0.1000E+01 1.0000 0.000 argentite 0.1000E+01 0.1000E+01 1.0000 0.000 bornite 0.1000E+01 0.1000E+01 1.0000 0.000 topaz 0.1000E+01 0.1000E+01 1.0000 0.000 galena 0.1000E+01 0.1000E+01 1.0000 0.000 gold,native 0.6165E+00 0.2909E+00 0.4718 -0.536 silver,native 0.3835E+00 0.3486E-01 0.0909 -1.458 sphalerite 0.1000E+01 0.1000E+01 1.0000 0.000 Total fraction of mixing solution added: 3.9000000 Solid products produced: Mass = 0.015076 g Volume = 0.005479 cm3 WARNING: mineral volume may be in error because some mineral densities were not supplied in SOLTHERM. See mineral list in file Skip_Species.txt. Gas composition at saturation ( 3 iterations) ------------------------------------------------- Temperature: 62.0887 deg.C Sat. pressure: 8.6513 bar Gas Mole fraction phi Fugacity Partial P(bar) H2O,gas 0.3573E-01 0.9478 0.2930E+00 0.3091E+00 CO2,gas 0.9643E+00 0.9641 0.8043E+01 0.8342E+01 CH4,gas 0.3048E-08 1.0061 0.2653E-07 0.2637E-07 H2,gas 0.3232E-07 1.0051 0.2810E-06 0.2796E-06 H2S,gas 0.4004E-05 0.9567 0.3314E-04 0.3464E-04 S2,gas 0.1223E-18 1.0000 0.1058E-17 0.1058E-17 CO,gas 0.5413E-10 1.0000 0.4683E-09 0.4683E-09 SO3,gas 0.1159E-34 1.0000 0.1002E-33 0.1002E-33 O2,gas 0.2594E-59 1.0000 0.2244E-58 0.2244E-58 SO2,gas 0.8031E-16 1.0000 0.6948E-15 0.6948E-15 HF,gas 0.5391E-09 1.0000 0.4664E-08 0.4664E-08 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 148 quartz -3.27 -3.27 0.00 0.000 0.00000E+00 197 argentite -31.61 -31.61 0.00 0.000 0.10900E-10 206 bornite -97.28 -97.28 0.00 0.000 -0.21799E-10 226 topaz -13.84 -13.84 0.00 0.000 0.00000E+00 261 galena -13.10 -13.10 0.00 0.000 -0.54499E-11 262 gold,native -21.18 -21.18 0.00 0.000 -0.16350E-10 263 silver,native -7.83 -7.83 0.00 0.000 0.81748E-11 273 sphalerite -10.60 -10.60 0.00 0.000 -0.27249E-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 1 H2O,gas 3.23 0.00 -3.23 -3.232 0.49581E+04 -0.533 2 CO2,gas -5.43 -7.22 -1.79 -0.598 0.27513E+04 0.905 3 CH4,gas 5.20 -5.08 -10.28 -2.569 0.15762E+05 -7.576 4 H2,gas 9.78 0.53 -9.25 -5.286 0.14190E+05 -6.551 5 H2S,gas -5.33 -12.51 -7.18 -3.589 0.11012E+05 -4.480 6 S2,gas -5.40 -26.08 -20.67 -3.181 0.31714E+05 -17.975 7 CO,gas 5.35 -6.68 -12.03 -3.701 0.18452E+05 -9.329 8 SO3,gas 22.04 -14.65 -36.70 -9.174 0.56295E+05 -33.999 9 O2,gas 60.27 -1.08 -61.35 -40.899 0.94108E+05 -58.649 10 SO2,gas 3.74 -14.12 -17.86 -4.762 0.27393E+05 -15.158 11 HF,gas 2.57 -8.46 -11.03 -5.515 0.16920E+05 -8.331 12 HCl,gas 4.67 -5.48 -10.14 -5.072 0.15561E+05 -10.144 18 albite 1.26 -2.53 -3.79 -0.291 0.58080E+04 22 analcite 5.28 0.74 -4.55 -0.505 0.69728E+04 26 anhydrite -4.39 -9.10 -4.72 -2.359 0.72362E+04 34 aragonite 1.67 -1.67 -3.34 -1.113 0.51241E+04 36 calcite 1.53 -1.67 -3.20 -1.068 0.49137E+04 53 coesite -2.61 -3.27 -0.66 -0.220 0.10104E+04 60 cristobalite -2.72 -3.27 -0.55 -0.185 0.85012E+03 65 diaspore 4.70 3.16 -1.53 -0.256 0.23522E+04 66 diamond -3.75 -6.14 -2.39 -0.683 0.36675E+04 83 gibbsite 5.87 3.16 -2.71 -0.387 0.41598E+04 87 graphite -4.21 -6.14 -1.93 -0.552 0.29636E+04 90 halite 1.67 -1.36 -3.03 -1.517 0.46528E+04 99 kaolinite 1.48 -0.22 -1.69 -0.154 0.25994E+04 107 magnesite 1.66 -2.76 -4.43 -1.475 0.67882E+04 117 microcline -1.27 -4.04 -2.77 -0.213 0.42490E+04 143 pyrite -22.48 -23.12 -0.64 -0.151 0.98208E+03 145 pyrrhotiteFe0.875 -5.85 -10.45 -4.60 -1.691 0.70529E+04 147 pyrophyllite -3.60 -6.75 -3.15 -0.197 0.48384E+04 153 rhodochrosite -0.42 -3.48 -3.06 -1.020 0.46926E+04 155 sanidine 0.08 -4.04 -4.12 -0.317 0.63165E+04 157 siderite -2.00 -4.80 -2.80 -0.932 0.42880E+04 171 sulfur -9.59 -13.04 -3.45 -1.062 0.52965E+04 172 sylvite 1.26 -2.87 -4.13 -2.067 0.63402E+04 181 tridymite -2.81 -3.27 -0.46 -0.154 0.70932E+03 198 arsenic -8.17 -12.69 -4.52 -1.166 0.69307E+04 208 chalcedony -3.06 -3.27 -0.21 -0.069 0.31945E+03 209 chalcocite -31.01 -32.28 -1.27 -0.317 0.19471E+04 211 covellite -21.91 -22.66 -0.74 -0.284 0.11425E+04 212 dawsonite 3.15 0.05 -3.10 -0.388 0.47557E+04 230 gypsum -4.40 -9.11 -4.71 -1.177 0.72225E+04 246 acanthite -31.57 -31.61 -0.04 -0.011 0.66930E+02 252 barite -9.24 -11.81 -2.57 -1.286 0.39450E+04 253 boehmite 6.51 3.16 -3.34 -0.557 0.51265E+04 255 chalcopyrite -30.65 -32.73 -2.08 -0.388 0.31970E+04 260 fluorite -9.56 -11.36 -1.80 -0.600 0.27619E+04 270 silica-amorphous -2.17 -3.27 -1.10 -0.368 0.16939E+04 274 wurtzite -8.56 -10.60 -2.04 -0.681 0.31353E+04 Calculations done for 62.0887 Deg. C; 500.0000 bar Mixer fraction: 3.9000000 Temperature Stoc.ionic strength Heat per mole Actual solution: 62.089 .35498E+00 1.297 Mixing solution: 25.000 .50000E-10 0.646 Fract. of mixing solution added: 0.100000 BITMOL = 0.5551E+01 OLDMOL = 0.2735E+03 New heat: 1.284 New temperature: 61.353 New mixer fraction: 4.0000000 Resulting temperature: 61.353Deg. C Mixing fraction reached given limit of 0.4000E+01 TOTMIX = 0.4000E+01 Execution stopped.