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. O2,gas is suppressed in THIS RUN. O2,gas is suppressed in THIS RUN. amesite is suppressed in SOLTHERM data file. antigorite is suppressed in SOLTHERM data file. goethite is suppressed in THIS RUN. goethite is suppressed in THIS RUN. riebeckite is suppressed in THIS RUN. riebeckite is suppressed in THIS RUN. sapphirine-Fe(221) is suppressed in SOLTHERM data file. sapphirine(221) is suppressed in SOLTHERM data file. talc-prl is suppressed in SOLTHERM data file. PrO1.833(s) is suppressed in SOLTHERM data file. niter-NH4 is suppressed in SOLTHERM data file. FMQ_HS-1 is suppressed in THIS RUN. kf-ab-equil is suppressed in THIS RUN. ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ Magmatic gas scrubbing preliminary calculation. React meteoric water with andesite, Getahun et al. 1996 J. Volc. Geotherm. Res. 71(73-107). Table 1 page 82 sample MAF-1 ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ Species No. Charge Tot.moles Trial molality Gamma Mixing solution H+ 1 1. 0.19532E+00 0.36857E-04 0.8277 0.00000000E+00 H2O 2 0. 0.51484E+02 0.10000E+01 0.9969 0.00000000E+00 Cl- 3 -1. 0.11938E-01 0.12762E-01 0.8220 0.00000000E+00 SO4-- 4 -2. 0.95350E-02 0.25564E-02 0.4921 0.00000000E+00 HCO3- 5 -1. 0.14461E+00 0.27519E-02 0.8234 0.00000000E+00 HS- 6 -1. 0.39090E-01 0.23600E-03 0.8221 0.00000000E+00 Al+++ 7 3. 0.47754E-05 0.12723E-11 0.2050 0.00000000E+00 H4SiO4 8 0. 0.12153E-01 0.10183E-02 1.0000 0.00000000E+00 Ca++ 9 2. 0.20808E-06 0.17961E-06 0.4879 0.00000000E+00 Mg++ 10 2. 0.83683E-10 0.84569E-10 0.4853 0.00000000E+00 Fe++ 11 2. 0.32592E-07 0.26026E-12 0.4859 0.00000000E+00 K+ 12 1. 0.14123E-03 0.14877E-03 0.8236 0.00000000E+00 Na+ 13 1. 0.20032E-01 0.21454E-01 0.8218 0.00000000E+00 Mn++ 14 2. 0.22519E-08 0.19815E-08 0.4864 0.00000000E+00 F- 15 -1. 0.80010E-03 0.72722E-03 0.8200 0.00000000E+00 HPO4-- 16 -2. 0.41688E-07 0.13139E-09 0.4922 0.00000000E+00 Chg. balance for total moles = -.5508E-08 Max. difference allowed = 0.1194E-05 The following parameters were given: ERPC = 0.1000E-11 pH = 0.0000 PFLUID = 50.0000 SLIM = 0.400000E+01 TEMP = 100.0000 SINC = 0.1000E+00 TEMPC = 0.0000 TOTMIX = 0.199999E+01 ENTH = 0.0000 SENTH = 0.0000 DENTH = 0.0000 TOTWAT = 90.0000 SOLMIN = 0.0000E+00 RM = 0.0000 AQGRM = 1000.0103 SUPRNT = 0.1000E-19 VBOX-1 = 400.9996 RHOFRS = 0.0000 RHOROC = 2.5000 The following options were selected: CONFLG = 1 C = 3 IFRAC = 0 IPUNCH = 2 NLOOP = 400 ISTEP = 2 LIMSOL = 1 LOOC = 0 IENTH = 0 ITREF = 0 IDEAL = 0 IPSAT = 1 INCREM = 0 INCP = 0 MINSOL = 3 NEUT = 0 AWAT = 0 CHGF = 0 Of the derived species, only those with molality > 0.10E-19 will appear in the output Species No. Charge Log K(diss) Species No. Charge Log K(diss) SiF6-2 17 -2. -24.5019 Mn+3 70 3. 19.1453 HSiO3- 18 -1. 9.0298 MnF+ 71 1. -1.2264 Ca(HSiO3)+ 19 1. 7.6723 MnO,aq 72 0. 17.9848 Mg(HSiO3)+ 20 1. 7.5773 MnOH+ 73 1. 8.5194 NaHSiO3,aq 21 0. 7.8210 MnO2-2 74 -2. 40.4638 AlO+ 22 1. 6.8663 HMnO2- 75 -1. 29.1232 AlOH+2 23 2. 3.1691 MnO4- 76 -1. 83.3111 HAlO2,aq 24 0. 10.5671 MnO4-2 77 -2. 81.3005 AlO2- 25 -1. 16.2221 MnCl+ 78 1. -0.7894 CH4,aq 26 0. 6.0126 MnSO4,aq 79 0. -2.4604 C2H6,aq 27 0. 12.3733 NaCl,aq 80 0. 0.4796 C3H8,aq 28 0. 17.3707 NaF,aq 81 0. 0.6306 C4H10,aq 29 0. 22.3757 NaOH,aq 82 0. 12.3669 ethanol,aq 30 0. 15.3258 O2,aq 83 0. 53.5502 CO,aq 31 0. 4.6892 OH- 84 -1. 12.2382 CO2,aq 32 0. -6.3298 HO2- 85 -1. 50.8010 CO3-2 33 -2. 10.0588 H2O2,aq 86 0. 40.0166 CaCO3,aq 34 0. 5.9605 H3PO2,aq 87 0. 24.3066 Ca(HCO3)+ 35 1. -1.4070 H2PO2- 88 -1. 26.5366 CaCl+ 36 1. -0.2091 HPO3-2 89 -2. 11.9254 CaCl2,aq 37 0. 0.4151 H3PO3,aq 90 0. 3.5792 CaF+ 38 1. -1.1644 H2PO3- 91 -1. 5.6232 CaOH+ 39 1. 10.1471 H3PO4,aq 92 0. -9.8447 CaSO4,aq 40 0. -2.5018 H2PO4- 93 -1. -7.2659 HCl,aq 41 0. 0.7370 PO4-3 94 -3. 12.0884 HClO,aq 42 0. 32.4260 H4P2O7,aq 95 0. -17.8095 ClO- 43 -1. 39.6530 H3P2O7- 96 -1. -15.9156 HClO2,aq 44 0. 70.1812 H2P2O7-2 97 -2. -13.4262 HF,aq 45 0. -3.8354 HP2O7-3 98 -3. -6.7266 HF2- 46 -1. -3.3639 P2O7-4 99 -4. 2.8952 Fe+3 47 3. 8.3809 H2S,aq 100 0. -6.4900 FeCl+ 48 1. -0.1994 S2-2 101 -2. 1.2355 FeCl2,aq 49 0. 4.3001 S3-2 102 -2. -8.8031 FeCl+2 50 2. 6.5269 S3- 103 -1. -16.3389 FeF+ 51 1. -1.7084 S4-2 104 -2. -18.6615 FeF+2 52 2. 1.4309 S5-2 105 -2. -28.3439 FeO,aq 53 0. 16.4104 SO2,aq 106 0. -0.2309 FeOH+ 54 1. 7.4874 SO3-2 107 -2. 10.3052 HFeO2- 55 -1. 24.3908 HSO3- 108 -1. 2.5086 FeO+ 56 1. 11.4004 HSO4- 109 -1. -2.9839 FeOH+2 57 2. 9.1194 HSO5- 110 -1. 38.8366 FeO2- 58 -1. 24.0895 S2O3-2 111 -2. -4.5600 HFeO2,aq 59 0. 15.9850 HS2O3- 112 -1. -6.8123 H2,aq 60 0. 9.4190 H2S2O3,aq 113 0. -8.0173 KCl,aq 61 0. 1.7417 S2O4-2 114 -2. 10.5541 KHSO4,aq 62 0. -0.4514 HS2O4- 115 -1. 7.6551 KOH,aq 63 0. 12.3695 H2S2O4,aq 116 0. 6.6259 KSO4- 64 -1. -1.1908 S2O5-2 117 -2. 10.0741 MgCO3,aq 65 0. 6.5614 S2O6-2 118 -2. 11.5521 Mg(HCO3)+ 66 1. -1.4164 S2O8-2 119 -2. 42.0620 MgCl+ 67 1. -0.1664 S3O6-2 120 -2. 3.7866 MgF+ 68 1. -1.7331 S4O6-2 121 -2. -17.8657 MgOH+ 69 1. 9.4041 S5O6-2 122 -2. -14.1333 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 1.696 0.0000E+00 osumilite(1) 126 21.717 0.0000E+00 CO2,gas 2 -6.660 0.0000E+00 osumilite(2) 127 20.667 0.0000E+00 CH4,gas 3 4.544 0.0000E+00 osumilite-Fe 128 14.390 0.0000E+00 H2,gas 4 8.000 0.0000E+00 pargasite 129 65.092 0.0000E+00 H2S,gas 5 -6.230 0.0000E+00 periclase 130 16.138 0.0000E+00 S2,gas 6 -7.335 0.0000E+00 periclase-Fe 131 11.627 0.0000E+00 CO,gas 7 3.215 0.0000E+00 perovskite-Al 132 12.344 0.0000E+00 SO3,gas 8 17.121 0.0000E+00 perovskite-Ca 133 23.807 0.0000E+00 SO2,gas 9 0.832 0.0000E+00 perovskite-Fe 134 21.143 0.0000E+00 HF,gas 10 0.473 0.0000E+00 perovskite-Mg 135 23.119 0.0000E+00 HCl,gas 11 5.189 0.0000E+00 phase_A 136 80.189 0.0000E+00 acmite 12 7.710 0.0000E+00 phlogopite-Na 137 29.647 0.0000E+00 akermanite 13 36.442 0.0000E+00 piemontite(ordered) 138 33.776 0.0000E+00 akimotoite 14 16.591 0.0000E+00 prehnite 139 19.372 0.0000E+00 akimotoite-Fe 15 13.067 0.0000E+00 prehnite-Fe 140 22.498 0.0000E+00 albite-high 16 0.693 0.0000E+00 pumpellyite-Fe 141 46.269 0.0000E+00 albite 17 -0.384 0.0000E+00 pumpellyite-Mg 142 48.995 0.0000E+00 almandine 18 24.442 0.0000E+00 px-Mg-tschermaks 143 19.616 0.0000E+00 pyrope 19 37.248 0.0000E+00 px-Ca-tschermaks 144 18.610 0.0000E+00 spessartine 20 24.457 0.0000E+00 pyrite 145 -21.247 0.3259E-07 analcite 21 3.322 0.0000E+00 pyrrhotite 146 -4.260 0.0000E+00 andalusite 22 5.002 0.0000E+00 pyrrhotiteFe0.875 147 -6.017 0.0000E+00 andradite 23 39.009 0.0000E+00 pyroxmangite 148 7.399 0.0000E+00 grossular 24 32.731 0.0000E+00 pyrophyllite 149 -6.176 0.0000E+00 anhydrite 25 -5.317 0.0000E+00 quartz 150 -2.989 0.1120E-01 ankerite 26 -2.135 0.0000E+00 rankinite 151 40.713 0.0000E+00 annite 27 20.123 0.0000E+00 ringwoodite-Fe 152 15.456 0.0000E+00 phlogopite 28 27.065 0.0000E+00 ringwoodite-Mg 153 27.575 0.0000E+00 biotite-Mn 29 32.960 0.0000E+00 rhodochrosite 154 -0.976 0.0000E+00 anorthite 30 12.710 0.0000E+00 rhodonite 155 7.446 0.0000E+00 anthophyllite 31 51.852 0.0000E+00 sanidine 156 -1.275 0.0000E+00 anthophyllite-Fe 32 29.306 0.0000E+00 sapphirine(351) 157 78.899 0.0000E+00 apatite-OH 33 -18.153 0.0000E+00 siderite 158 -2.608 0.0000E+00 apatite-F 34 -34.301 0.0000E+00 sillimanite 159 5.262 0.0000E+00 apatite-OH-zs 35 -12.736 0.0000E+00 sodalite 160 49.976 0.0000E+00 apatite-F-zs 36 -27.774 0.0000E+00 spinel 161 20.870 0.0000E+00 apatite-Cl-zs 37 -16.674 0.0000E+00 spurrite 162 59.482 0.0000E+00 aragonite 38 0.967 0.0000E+00 staurolite-Fe 163 73.598 0.0000E+00 brucite 39 12.569 0.0000E+00 staurolite-Mg 164 89.802 0.0000E+00 calcite 40 0.812 0.0000E+00 staurolite-Mn 165 83.909 0.0000E+00 carnegieite-low 41 9.023 0.0000E+00 stilbite 166 -7.522 0.0000E+00 carnegieite-high 42 10.093 0.0000E+00 stilpnomelane-Fe 167 13.017 0.0000E+00 carpholite-Mg 43 8.582 0.0000E+00 stilpnomelane-Mg 168 27.441 0.0000E+00 carpholite-Fe 44 6.713 0.0000E+00 stishovite 169 2.720 0.0000E+00 celadonite 45 5.342 0.0000E+00 sudoite-Fe 170 18.296 0.0000E+00 celadonite-Fe 46 3.877 0.0000E+00 sudoite 171 21.077 0.0000E+00 chrysotile 47 23.892 0.0000E+00 sulfur 172 -9.152 0.2844E-01 chondrodite 48 56.475 0.0000E+00 sylvite 173 1.338 0.0000E+00 clinochlore 49 39.070 0.0000E+00 talc 174 16.491 0.0000E+00 daphnite 50 28.965 0.0000E+00 talc-Fe 175 13.448 0.0000E+00 chlorite-Mn 51 46.869 0.0000E+00 talc-tschermaks 176 19.091 0.0000E+00 chlorite-Al-free 52 47.173 0.0000E+00 tephroite 177 18.086 0.0000E+00 chloritoid-Mg 53 13.198 0.0000E+00 tilleyite 178 41.377 0.0000E+00 chloritoid-Fe 54 9.174 0.0000E+00 titanite-CaSi 179 15.479 0.0000E+00 chloritoid-Mn 55 11.401 0.0000E+00 topaz-H 180 4.618 0.0000E+00 clinohumite 56 97.128 0.0000E+00 tridymite 181 -2.626 0.0000E+00 coesite 57 -2.376 0.0000E+00 tremolite 182 47.869 0.0000E+00 cordierite-H 58 23.715 0.0000E+00 ferroactinolite 183 38.452 0.0000E+00 cordierite 59 24.049 0.0000E+00 troilite-low 184 -4.411 0.0000E+00 cordierite-Fe 60 20.450 0.0000E+00 tschermakite 185 48.210 0.0000E+00 cordierite-Mn 61 25.066 0.0000E+00 vesuvianite 186 223.471 0.0000E+00 corundum 62 8.383 0.0000E+00 wadeite-Si 187 20.216 0.0000E+00 corundum-MgSi 63 18.891 0.0000E+00 wadsleyite-Fe 188 15.680 0.0000E+00 cristobalite 64 -2.560 0.0000E+00 wadsleyite-Mg 189 25.850 0.0000E+00 cummingtonite 65 52.099 0.0000E+00 wairakite 190 3.950 0.0000E+00 cymrite-K 66 1.685 0.0000E+00 walstromite 191 11.509 0.0000E+00 deerite 67 95.671 0.0000E+00 wollastonite 192 10.461 0.0000E+00 diaspore 68 2.874 0.0000E+00 pseudo-wollastonite 193 11.000 0.0000E+00 diamond 69 -3.102 0.0000E+00 zoisite 194 22.849 0.0000E+00 diopside 70 16.181 0.0000E+00 akaganeite 195 7.755 0.0000E+00 hedenbergite 71 14.208 0.0000E+00 beidellite-Ca 196 -1.646 0.0000E+00 dolomite,ordered 72 0.546 0.0000E+00 beidellite-H 197 -2.326 0.0000E+00 eastonite 73 28.489 0.0000E+00 beidellite-K 198 -1.520 0.0000E+00 enstatite 74 17.265 0.0000E+00 beidellite-Mg 199 -1.790 0.0000E+00 clinoenstatite-HiP 75 18.354 0.0000E+00 beidellite-Na 200 -1.342 0.0000E+00 clinoenstatite 76 17.166 0.0000E+00 calcium 201 84.026 0.0000E+00 protoenstatite 77 17.824 0.0000E+00 chalcedony 202 -2.802 0.0000E+00 epidote 78 24.670 0.0000E+00 dawsonite 203 1.682 0.0000E+00 clinozoisite 79 22.806 0.0000E+00 montmorillonite-Ca 204 -2.291 0.0000E+00 epidote-Fe 80 29.841 0.0000E+00 montmorillonite-K 205 -2.237 0.0000E+00 fayalite 81 14.046 0.0000E+00 montmorillonite-Mg 206 -2.480 0.0000E+00 ferrosilite 82 11.149 0.0000E+00 montmorillonite-Na 207 -2.038 0.0000E+00 forsterite 83 21.016 0.0000E+00 nontronite-Ca 208 3.215 0.0000E+00 gedrite 84 50.522 0.0000E+00 nontronite-H 209 2.533 0.0000E+00 gehlenite 85 36.628 0.0000E+00 nontronite-K 210 3.341 0.0000E+00 gibbsite 86 4.079 0.0000E+00 nontronite-Mg 211 3.075 0.0000E+00 glaucophane 87 22.975 0.0000E+00 nontronite-Na 212 3.520 0.0000E+00 glaucophane-Fe 88 17.276 0.0000E+00 sepiolite 213 24.118 0.0000E+00 graphite 89 -3.546 0.0000E+00 topaz 214 -16.546 0.2388E-05 greenalite 90 16.140 0.0000E+00 alite 215 57.999 0.0000E+00 grunerite 91 31.215 0.0000E+00 belite 216 30.433 0.0000E+00 halite 92 1.575 0.0000E+00 ettringite 217 43.232 0.0000E+00 hematite 93 12.566 0.0000E+00 gypsum 218 -4.955 0.0000E+00 heulandite 94 -5.827 0.0000E+00 hemicarboaluminate 219 70.954 0.0000E+00 hercynite 95 17.279 0.0000E+00 hydrogarnet 220 60.662 0.0000E+00 hollandite 96 25.673 0.0000E+00 hydrogarnet-Si 221 50.586 0.0000E+00 iron 97 19.086 0.0000E+00 jennite 222 24.367 0.0000E+00 jadeite 98 4.215 0.0000E+00 monosulfoaluminate 223 53.400 0.0000E+00 julgoldite 99 70.427 0.0000E+00 monocarboaluminate 224 61.898 0.0000E+00 kalsilite 100 7.584 0.0000E+00 portlandite 225 18.272 0.0000E+00 kaolinite 101 -1.333 0.0000E+00 stratlingite 226 36.502 0.0000E+00 kyanite 102 4.876 0.0000E+00 tricarboaluminate 227 70.370 0.0000E+00 larnite-bredigite 103 30.686 0.0000E+00 tobermorite 228 9.823 0.0000E+00 laumontite 104 2.883 0.0000E+00 C4AH13 229 81.816 0.0000E+00 lawsonite 105 9.616 0.0000E+00 C2AH8 230 45.203 0.0000E+00 leucite 106 4.119 0.0000E+00 C3A 231 86.953 0.0000E+00 lime 107 25.998 0.0000E+00 C4AF 232 117.416 0.0000E+00 lizardite 108 23.244 0.0000E+00 CAH10 233 28.335 0.0000E+00 magnesite 109 0.691 0.0000E+00 alabandite 234 -0.978 0.0000E+00 magnetite 110 20.087 0.0000E+00 alunite 235 -10.435 0.0000E+00 minnesotaite 111 10.388 0.0000E+00 artinite 236 15.121 0.0000E+00 minnesotaite-Mg 112 20.602 0.0000E+00 boehmite 237 4.406 0.0000E+00 magnesioferrite 113 26.212 0.0000E+00 dolomite,disordered 238 1.247 0.0000E+00 majorite 114 53.251 0.0000E+00 ferrous-oxide 239 9.812 0.0000E+00 manganosite 115 14.058 0.0000E+00 fluorite 240 -9.931 0.0000E+00 margarite 116 17.324 0.0000E+00 huntite 241 3.770 0.0000E+00 meionite 117 44.874 0.0000E+00 hydromagnesite 242 19.995 0.0000E+00 merwinite 118 55.930 0.0000E+00 nesquehonite 243 4.723 0.0000E+00 microcline 119 -2.486 0.0000E+00 potassium-oxide 244 69.038 0.0000E+00 monticellite 120 24.339 0.0000E+00 silica-amorphous 245 -2.091 0.0000E+00 mullite-Al 121 363.148 0.0000E+00 sodium-oxide 246 55.169 0.0000E+00 mullite-Si 122 7.264 0.0000E+00 an20ab80 247 2.018 0.0000E+00 muscovite 123 2.582 0.0000E+00 an25ab75 248 2.646 0.0000E+00 paragonite 124 4.239 0.0000E+00 an30ab70 249 3.279 0.0000E+00 nepheline 125 8.339 0.0000E+00 tr.625ac.25prg.125 250 45.165 0.0000E+00 Initial composition of reactant (mole%): H2O 88.87 HCl 0.5900 CO2 7.070 CO 0.1600 H2 1.540 S2 0.8000E-01 SO2 1.150 HF 0.4000E-01 H2S 1.120 0.000 Sum of wt% of reactants: 100.6200 Reactant consumed: 1.9999900 moles log = 0.3010 Original solution: 1000.0103000 g Original solution / Rock added: 500.01 (Water/Rock Ratio), log = 2.6990 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 ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ Magmatic gas scrubbing preliminary calculation. React meteoric water with andesite, Getahun et al. 1996 J. Volc. Geotherm. Res. 71(73-107). Table 1 page 82 sample MAF-1 ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ Number of loops used = 14 Loop limit = 400 Temperature = 100.00 C Pressure = 50.00 bar Mixer fraction = 1.9999900 Water: Moles liquid = 0.5168E+02 kg liquid = 0.9310E+00 Moles total = 0.5148E+02 kg total = 0.9275E+00 Activity = 0.9969 Stoichiometric ionic strength = .1103949E+00 Osmotic coef. = 0.8896 True ionic strength = .2419696E-01 Chg. balance for total moles = -.5508E-08 Max. difference allowed = 0.1194E-05 Log Log Log Species(n) Molality Molality Activity Activity Gamma Gamma 1 H+ 0.36857E-04 -4.4335 0.30508E-04 -4.5156 0.82774E+00 -0.0821 2 H2O 0.99692E+00 -0.0013 0.99692E+00 -0.0013 3 Cl- 0.12762E-01 -1.8941 0.10490E-01 -1.9792 0.82198E+00 -0.0851 4 SO4-- 0.25564E-02 -2.5924 0.12580E-02 -2.9003 0.49209E+00 -0.3080 5 HCO3- 0.27519E-02 -2.5604 0.22658E-02 -2.6448 0.82337E+00 -0.0844 6 HS- 0.23600E-03 -3.6271 0.19402E-03 -3.7121 0.82212E+00 -0.0851 7 Al+++ 0.12723E-11 -11.8954 0.26077E-12 -12.5837 0.20497E+00 -0.6883 8 H4SiO4 0.10183E-02 -2.9921 0.10183E-02 -2.9921 0.10000E+01 0.0000 9 Ca++ 0.17961E-06 -6.7457 0.87630E-07 -7.0573 0.48789E+00 -0.3117 10 Mg++ 0.84569E-10 -10.0728 0.41041E-10 -10.3868 0.48530E+00 -0.3140 11 Fe++ 0.26026E-12 -12.5846 0.12646E-12 -12.8980 0.48592E+00 -0.3134 12 K+ 0.14877E-03 -3.8275 0.12252E-03 -3.9118 0.82359E+00 -0.0843 13 Na+ 0.21454E-01 -1.6685 0.17631E-01 -1.7537 0.82180E+00 -0.0852 14 Mn++ 0.19815E-08 -8.7030 0.96376E-09 -9.0160 0.48639E+00 -0.3130 15 F- 0.72722E-03 -3.1383 0.59634E-03 -3.2245 0.82002E+00 -0.0862 16 HPO4-- 0.13139E-09 -9.8814 0.64666E-10 -10.1893 0.49217E+00 -0.3079 17 SiF6-2 0.25990E-15 -15.5852 0.12758E-15 -15.8942 0.49088E+00 -0.3090 18 HSiO3- 0.38035E-07 -7.4198 0.31264E-07 -7.5050 0.82198E+00 -0.0851 19 Ca(HSiO3)+ 0.75737E-13 -13.1207 0.62392E-13 -13.2049 0.82380E+00 -0.0842 20 Mg(HSiO3)+ 0.44145E-16 -16.3551 0.36366E-16 -16.4393 0.82380E+00 -0.0842 21 NaHSiO3,aq 0.89149E-08 -8.0499 0.89149E-08 -8.0499 0.10000E+01 0.0000 22 AlO+ 0.46127E-10 -10.3360 0.37999E-10 -10.4202 0.82380E+00 -0.0842 23 AlOH+2 0.11855E-10 -10.9261 0.57725E-11 -11.2386 0.48694E+00 -0.3125 24 HAlO2,aq 0.24729E-09 -9.6068 0.24729E-09 -9.6068 0.10000E+01 0.0000 25 AlO2- 0.21874E-10 -10.6601 0.17943E-10 -10.7461 0.82026E+00 -0.0860 26 CH4,aq 0.34852E-09 -9.4578 0.33842E-09 -9.4705 0.97102E+00 -0.0128 31 CO,aq 0.11959E-10 -10.9223 0.11959E-10 -10.9223 0.10000E+01 0.0000 32 CO2,aq 0.15258E+00 -0.8165 0.14816E+00 -0.8293 0.97102E+00 -0.0128 33 CO3-2 0.13216E-07 -7.8789 0.64872E-08 -8.1879 0.49088E+00 -0.3090 34 CaCO3,aq 0.71280E-11 -11.1470 0.71280E-11 -11.1470 0.10000E+01 0.0000 35 Ca(HCO3)+ 0.61523E-08 -8.2110 0.50683E-08 -8.2951 0.82380E+00 -0.0842 36 CaCl+ 0.18058E-08 -8.7433 0.14876E-08 -8.8275 0.82380E+00 -0.0842 37 CaCl2,aq 0.37072E-11 -11.4309 0.37072E-11 -11.4309 0.10000E+01 0.0000 38 CaF+ 0.92615E-09 -9.0333 0.76296E-09 -9.1175 0.82380E+00 -0.0842 39 CaOH+ 0.24773E-12 -12.6060 0.20408E-12 -12.6902 0.82380E+00 -0.0842 40 CaSO4,aq 0.35006E-07 -7.4559 0.35006E-07 -7.4559 0.10000E+01 0.0000 41 HCl,aq 0.58642E-07 -7.2318 0.58642E-07 -7.2318 0.10000E+01 0.0000 45 HF,aq 0.12454E-03 -3.9047 0.12454E-03 -3.9047 0.10000E+01 0.0000 46 HF2- 0.30506E-07 -7.5156 0.25076E-07 -7.6007 0.82198E+00 -0.0851 48 FeCl+ 0.25488E-14 -14.5937 0.20997E-14 -14.6778 0.82380E+00 -0.0842 51 FeF+ 0.46781E-14 -14.3299 0.38538E-14 -14.4141 0.82380E+00 -0.0842 54 FeOH+ 0.16329E-15 -15.7870 0.13452E-15 -15.8712 0.82380E+00 -0.0842 60 H2,aq 0.32988E-08 -8.4816 0.32032E-08 -8.4944 0.97102E+00 -0.0128 61 KCl,aq 0.23294E-07 -7.6328 0.23294E-07 -7.6328 0.10000E+01 0.0000 62 KHSO4,aq 0.13295E-10 -10.8763 0.13295E-10 -10.8763 0.10000E+01 0.0000 63 KOH,aq 0.17098E-11 -11.7670 0.17098E-11 -11.7670 0.10000E+01 0.0000 64 KSO4- 0.29098E-05 -5.5361 0.23918E-05 -5.6213 0.82198E+00 -0.0851 65 MgCO3,aq 0.83679E-15 -15.0774 0.83679E-15 -15.0774 0.10000E+01 0.0000 66 Mg(HCO3)+ 0.29443E-11 -11.5310 0.24255E-11 -11.6152 0.82380E+00 -0.0842 67 MgCl+ 0.76652E-12 -12.1155 0.63146E-12 -12.1997 0.82380E+00 -0.0842 68 MgF+ 0.16068E-11 -11.7940 0.13237E-11 -11.8782 0.82380E+00 -0.0842 69 MgOH+ 0.64203E-15 -15.1924 0.52890E-15 -15.2766 0.82380E+00 -0.0842 71 MnF+ 0.11751E-10 -10.9299 0.96804E-11 -11.0141 0.82380E+00 -0.0842 72 MnO,aq 0.10691E-17 -17.9710 0.10691E-17 -17.9710 0.10000E+01 0.0000 73 MnOH+ 0.11560E-12 -12.9370 0.95232E-13 -13.0212 0.82380E+00 -0.0842 78 MnCl+ 0.75569E-10 -10.1217 0.62254E-10 -10.2058 0.82380E+00 -0.0842 79 MnSO4,aq 0.35001E-09 -9.4559 0.35001E-09 -9.4559 0.10000E+01 0.0000 80 NaCl,aq 0.61289E-04 -4.2126 0.61289E-04 -4.2126 0.10000E+01 0.0000 81 NaF,aq 0.24615E-05 -5.6088 0.24615E-05 -5.6088 0.10000E+01 0.0000 82 NaOH,aq 0.24753E-09 -9.6064 0.24753E-09 -9.6064 0.10000E+01 0.0000 84 OH- 0.23017E-07 -7.6379 0.18880E-07 -7.7240 0.82026E+00 -0.0860 91 H2PO3- 0.48192E-19 -19.3170 0.39613E-19 -19.4022 0.82198E+00 -0.0851 92 H3PO4,aq 0.42094E-09 -9.3758 0.42094E-09 -9.3758 0.10000E+01 0.0000 93 H2PO4- 0.44227E-07 -7.3543 0.36393E-07 -7.4390 0.82288E+00 -0.0847 94 PO4-3 0.79710E-17 -17.0985 0.17294E-17 -17.7621 0.21696E+00 -0.6636 96 H3P2O7- 0.11931E-17 -17.9233 0.98067E-18 -18.0085 0.82198E+00 -0.0851 97 H2P2O7-2 0.21222E-15 -15.6732 0.10417E-15 -15.9822 0.49088E+00 -0.3090 98 HP2O7-3 0.33224E-17 -17.4786 0.68182E-18 -18.1663 0.20522E+00 -0.6878 100 H2S,aq 0.18840E-01 -1.7249 0.18294E-01 -1.7377 0.97102E+00 -0.0128 101 S2-2 0.53049E-09 -9.2753 0.26041E-09 -9.5843 0.49088E+00 -0.3090 102 S3-2 0.40818E-08 -8.3891 0.20037E-08 -8.6982 0.49088E+00 -0.3090 103 S3- 0.88078E-06 -6.0551 0.72398E-06 -6.1403 0.82198E+00 -0.0851 104 S4-2 0.20747E-07 -7.6830 0.10184E-07 -7.9921 0.49088E+00 -0.3090 105 S5-2 0.70315E-07 -7.1530 0.34516E-07 -7.4620 0.49088E+00 -0.3090 106 SO2,aq 0.16853E-10 -10.7733 0.16853E-10 -10.7733 0.10000E+01 0.0000 107 SO3-2 0.10524E-11 -11.9778 0.52526E-12 -12.2796 0.49910E+00 -0.3018 108 HSO3- 0.12206E-08 -8.9134 0.10033E-08 -8.9986 0.82198E+00 -0.0851 109 HSO4- 0.44846E-04 -4.3483 0.36986E-04 -4.4320 0.82473E+00 -0.0837 111 S2O3-2 0.55243E-06 -6.2577 0.27117E-06 -6.5668 0.49088E+00 -0.3090 112 HS2O3- 0.17996E-08 -8.7448 0.14792E-08 -8.8300 0.82198E+00 -0.0851 113 H2S2O3,aq 0.72345E-12 -12.1406 0.72345E-12 -12.1406 0.10000E+01 0.0000 121 S4O6-2 0.92370E-14 -14.0345 0.45342E-14 -14.3435 0.49088E+00 -0.3090 Charge balance for all species = -.5916E-08 Component Molality Aq.molality ppm log[A(N)/A(H+)**Z] (total) 1 H+ 0.3685681E-04 0.1716323E+00 0.1714773E+03 0.0000 2 H2O 0.1000000E+01 0.5535566E+02 0.9885001E+06 0.0000 3 Cl- 0.1276158E-01 0.1282295E-01 0.4506238E+03 2.5364 4 SO4-- 0.2556444E-02 0.2605428E-02 0.2480859E+03 6.1309 5 HCO3- 0.2751879E-02 0.1553346E+00 0.9394931E+04 1.8708 6 HS- 0.2360036E-03 0.1907908E-01 0.6254477E+03 0.8034 7 Al+++ 0.1272256E-11 0.3284147E-09 0.8783383E-05 0.9630 8 H4SiO4 0.1018326E-02 0.1018373E-02 0.9702261E+02 -2.9921 9 Ca++ 0.1796108E-06 0.2235118E-06 0.8879318E-02 1.9738 10 Mg++ 0.8456882E-10 0.8988795E-10 0.2166184E-05 -1.3556 11 Fe++ 0.2602565E-12 0.2676468E-12 0.1481614E-07 -3.8669 12 K+ 0.1487677E-03 0.1517008E-03 0.5879766E+01 0.6038 13 Na+ 0.2145367E-01 0.2151743E-01 0.4903416E+03 2.7619 14 Mn++ 0.1981464E-08 0.2418908E-08 0.1317242E-03 0.0151 15 F- 0.7272225E-03 0.8542898E-03 0.1608741E+02 1.2911 16 HPO4-- 0.1313912E-09 0.4477915E-07 0.4260153E-02 -1.1581 Component Tot moles Aq. moles Solid moles Gas moles 1 H+ 0.1953224E+00 0.1597850E+00 0.3553733E-01 0.0000000E+00 2 H2O 0.5148380E+02 0.5153464E+02 -.5084264E-01 0.0000000E+00 3 Cl- 0.1193783E-01 0.1193783E-01 0.0000000E+00 0.0000000E+00 4 SO4-- 0.9534967E-02 0.2425584E-02 0.7109383E-02 0.0000000E+00 5 HCO3- 0.1446123E+00 0.1446123E+00 0.0000000E+00 0.0000000E+00 6 HS- 0.3909029E-01 0.1776211E-01 0.2132818E-01 0.0000000E+00 7 Al+++ 0.4775352E-05 0.3057453E-09 0.4775046E-05 0.0000000E+00 8 H4SiO4 0.1215302E-01 0.9480779E-03 0.1120494E-01 0.0000000E+00 9 Ca++ 0.2080835E-06 0.2080835E-06 0.0000000E+00 0.0000000E+00 10 Mg++ 0.8368328E-10 0.8368328E-10 0.0000000E+00 0.0000000E+00 11 Fe++ 0.3259227E-07 0.2491720E-12 0.3259202E-07 0.0000000E+00 12 K+ 0.1412294E-03 0.1412294E-03 0.0000000E+00 0.0000000E+00 13 Na+ 0.2003215E-01 0.2003215E-01 0.0000000E+00 0.0000000E+00 14 Mn++ 0.2251939E-08 0.2251939E-08 0.0000000E+00 0.0000000E+00 15 F- 0.8000960E-03 0.7953210E-03 0.4775046E-05 0.0000000E+00 16 HPO4-- 0.4168819E-07 0.4168819E-07 0.0000000E+00 0.0000000E+00 Chg. balance for solid moles: -.3447E-17 Mass of aqueous solution: 0.939213E+03 g Temperature = 100.00 C Pressure = 50.00 bar Mixer frac. = 1.9999900 Log Log Vol Gas or mineral Moles Moles Grams Grams Wt.% (cm3) pyrite 0.3259E-07 -7.487 0.3910E-05 -5.408 0.2467E-03 0.7802E-06 quartz 0.1120E-01 -1.951 0.6730 -0.172 42.46 0.2542 sulfur 0.2844E-01 -1.546 0.9117 -0.040 57.51 0.4411 topaz 0.2388E-05 -5.622 0.4394E-03 -3.357 0.2772E-01 0.1230E-03 Partial press. Fugacity coef Log fugacity Gas or Mineral Mole fraction or activity Activity coef Log activity pyrite 0.1000E+01 0.1000E+01 1.0000 0.000 quartz 0.1000E+01 0.1000E+01 1.0000 0.000 sulfur 0.1000E+01 0.1000E+01 1.0000 0.000 topaz 0.1000E+01 0.1000E+01 1.0000 0.000 Solid products produced: Mass = 1.585199 g Volume = 0.695374 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. Reactant consumed: 1.9999900 moles log = 0.3010 Original solution: 1000.0103000 g Original solution / Rock added: 500.01 (Water/Rock Ratio), log = 2.6990 Gas composition at saturation ( 3 iterations) ------------------------------------------------- Temperature: 100.0000 deg.C Sat. pressure: 18.3486 bar Gas Mole fraction phi Fugacity Partial P(bar) H2O,gas 0.6060E-01 0.9019 0.1003E+01 0.1112E+01 CO2,gas 0.9100E+00 0.9494 0.1585E+02 0.1670E+02 CH4,gas 0.2675E-07 1.0149 0.4981E-06 0.4908E-06 H2,gas 0.2270E-06 1.0098 0.4205E-05 0.4165E-05 H2S,gas 0.2941E-01 0.9320 0.5029E+00 0.5396E+00 S2,gas 0.2925E-10 1.0000 0.5368E-09 0.5368E-09 CO,gas 0.9712E-09 1.0000 0.1782E-07 0.1782E-07 SO3,gas 0.2420E-28 1.0000 0.4441E-27 0.4441E-27 SO2,gas 0.3972E-11 1.0000 0.7288E-10 0.7288E-10 HF,gas 0.1667E-07 1.0000 0.3058E-06 0.3058E-06 HCl,gas 0.5639E-11 1.0000 0.1035E-09 0.1035E-09 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 145 pyrite -21.25 -21.25 0.00 0.000 0.00000E+00 150 quartz -2.99 -2.99 0.00 0.000 0.00000E+00 172 sulfur -9.15 -9.15 0.00 0.000 0.00000E+00 214 topaz -16.55 -16.55 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 1.70 0.00 -1.70 -1.698 0.28988E+04 0.001 2 CO2,gas -6.66 -7.16 -0.50 -0.166 0.85186E+03 1.200 3 CH4,gas 4.54 -3.46 -8.00 -2.000 0.13663E+05 -6.303 4 H2,gas 8.00 0.92 -7.08 -4.043 0.12081E+05 -5.376 5 H2S,gas -6.23 -8.23 -2.00 -0.999 0.34107E+04 -0.299 6 S2,gas -7.34 -18.30 -10.97 -1.688 0.18730E+05 -9.270 7 CO,gas 3.21 -6.23 -9.45 -2.907 0.16132E+05 -7.749 8 SO3,gas 17.12 -11.93 -29.05 -7.263 0.49605E+05 -27.353 9 SO2,gas 0.83 -11.00 -11.84 -3.156 0.20210E+05 -10.137 10 HF,gas 0.47 -7.74 -8.21 -4.107 0.14024E+05 -6.515 11 HCl,gas 5.19 -6.49 -11.68 -5.842 0.19950E+05 -9.985 17 albite -0.38 -5.25 -4.86 -0.374 0.83021E+04 25 anhydrite -5.32 -9.96 -4.64 -2.320 0.79242E+04 57 coesite -2.38 -2.99 -0.61 -0.204 0.10473E+04 64 cristobalite -2.56 -2.99 -0.43 -0.143 0.73267E+03 68 diaspore 2.87 0.96 -1.91 -0.319 0.32670E+04 69 diamond -3.10 -5.31 -2.20 -0.630 0.37646E+04 86 gibbsite 4.08 0.96 -3.12 -0.446 0.53278E+04 89 graphite -3.55 -5.31 -1.76 -0.503 0.30068E+04 101 kaolinite -1.33 -4.06 -2.73 -0.248 0.46558E+04 119 microcline -2.49 -7.40 -4.92 -0.378 0.83968E+04 149 pyrophyllite -6.18 -10.04 -3.86 -0.241 0.65930E+04 181 tridymite -2.63 -2.99 -0.36 -0.121 0.61998E+03 202 chalcedony -2.80 -2.99 -0.19 -0.062 0.31930E+03 237 boehmite 4.41 0.96 -3.45 -0.574 0.58839E+04 240 fluorite -9.93 -13.51 -3.58 -1.192 0.61053E+04 245 silica-amorphous -2.09 -2.99 -0.90 -0.299 0.15335E+04 Calculations done for 100.0000 Deg. C; 50.0000 bar Next reactant titration increment of: 0.1000000 MOLES Current total amount of reactant added: 1.9999900 MOLES New total amount of reactant added: 2.0999900 MOLES Solids and gases carried Charge balance check after fractionation or titration: TBAL = -.5508E-08 ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ Magmatic gas scrubbing preliminary calculation. React meteoric water with andesite, Getahun et al. 1996 J. Volc. Geotherm. Res. 71(73-107). Table 1 page 82 sample MAF-1 ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ Number of loops used = 14 Loop limit = 400 Temperature = 100.00 C Pressure = 50.00 bar Mixer fraction = 2.0999900 Water: Moles liquid = 0.5177E+02 kg liquid = 0.9326E+00 Moles total = 0.5157E+02 kg total = 0.9290E+00 Activity = 0.9968 Stoichiometric ionic strength = .1137491E+00 Osmotic coef. = 0.8922 True ionic strength = .2387957E-01 Chg. balance for total moles = -.5508E-08 Max. difference allowed = 0.1253E-05 Log Log Log Species(n) Molality Molality Activity Activity Gamma Gamma 1 H+ 0.39885E-04 -4.3992 0.33038E-04 -4.4810 0.82834E+00 -0.0818 2 H2O 0.99679E+00 -0.0014 0.99679E+00 -0.0014 3 Cl- 0.13368E-01 -1.8739 0.10997E-01 -1.9587 0.82263E+00 -0.0848 4 SO4-- 0.22773E-02 -2.6426 0.11246E-02 -2.9490 0.49381E+00 -0.3064 5 HCO3- 0.26627E-02 -2.5747 0.21941E-02 -2.6587 0.82401E+00 -0.0841 6 HS- 0.21432E-03 -3.6689 0.17633E-03 -3.7537 0.82277E+00 -0.0847 7 Al+++ 0.14277E-11 -11.8454 0.29506E-12 -12.5301 0.20666E+00 -0.6847 8 H4SiO4 0.10181E-02 -2.9922 0.10181E-02 -2.9922 0.10000E+01 0.0000 9 Ca++ 0.18227E-06 -6.7393 0.89246E-07 -7.0494 0.48965E+00 -0.3101 10 Mg++ 0.84402E-10 -10.0736 0.41110E-10 -10.3861 0.48708E+00 -0.3124 11 Fe++ 0.30899E-12 -12.5101 0.15069E-12 -12.8219 0.48769E+00 -0.3119 12 K+ 0.14880E-03 -3.8274 0.12265E-03 -3.9113 0.82423E+00 -0.0840 13 Na+ 0.21412E-01 -1.6693 0.17611E-01 -1.7542 0.82245E+00 -0.0849 14 Mn++ 0.20042E-08 -8.6981 0.97833E-09 -9.0095 0.48815E+00 -0.3114 15 F- 0.75323E-03 -3.1231 0.61817E-03 -3.2089 0.82069E+00 -0.0858 16 HPO4-- 0.12072E-09 -9.9182 0.59622E-10 -10.2246 0.49389E+00 -0.3064 17 SiF6-2 0.44205E-15 -15.3545 0.21776E-15 -15.6620 0.49261E+00 -0.3075 18 HSiO3- 0.35090E-07 -7.4548 0.28866E-07 -7.5396 0.82263E+00 -0.0848 19 Ca(HSiO3)+ 0.71162E-13 -13.1477 0.58669E-13 -13.2316 0.82443E+00 -0.0838 20 Mg(HSiO3)+ 0.40795E-16 -16.3894 0.33633E-16 -16.4732 0.82443E+00 -0.0838 21 NaHSiO3,aq 0.82218E-08 -8.0850 0.82218E-08 -8.0850 0.10000E+01 0.0000 22 AlO+ 0.44464E-10 -10.3520 0.36657E-10 -10.4358 0.82443E+00 -0.0838 23 AlOH+2 0.12340E-10 -10.9087 0.60304E-11 -11.2197 0.48870E+00 -0.3110 24 HAlO2,aq 0.22026E-09 -9.6571 0.22026E-09 -9.6571 0.10000E+01 0.0000 25 AlO2- 0.17977E-10 -10.7453 0.14758E-10 -10.8310 0.82093E+00 -0.0857 26 CH4,aq 0.34332E-09 -9.4643 0.33311E-09 -9.4774 0.97028E+00 -0.0131 31 CO,aq 0.12346E-10 -10.9085 0.12346E-10 -10.9085 0.10000E+01 0.0000 32 CO2,aq 0.16015E+00 -0.7955 0.15539E+00 -0.8086 0.97028E+00 -0.0131 33 CO3-2 0.11776E-07 -7.9290 0.58008E-08 -8.2365 0.49261E+00 -0.3075 34 CaCO3,aq 0.64913E-11 -11.1877 0.64913E-11 -11.1877 0.10000E+01 0.0000 35 Ca(HCO3)+ 0.60628E-08 -8.2173 0.49983E-08 -8.3012 0.82443E+00 -0.0838 36 CaCl+ 0.19266E-08 -8.7152 0.15883E-08 -8.7991 0.82443E+00 -0.0838 37 CaCl2,aq 0.41498E-11 -11.3820 0.41498E-11 -11.3820 0.10000E+01 0.0000 38 CaF+ 0.97700E-09 -9.0101 0.80547E-09 -9.0939 0.82443E+00 -0.0838 39 CaOH+ 0.23277E-12 -12.6331 0.19190E-12 -12.7169 0.82443E+00 -0.0838 40 CaSO4,aq 0.31870E-07 -7.4966 0.31870E-07 -7.4966 0.10000E+01 0.0000 41 HCl,aq 0.66578E-07 -7.1767 0.66578E-07 -7.1767 0.10000E+01 0.0000 45 HF,aq 0.13981E-03 -3.8545 0.13981E-03 -3.8545 0.10000E+01 0.0000 46 HF2- 0.35471E-07 -7.4501 0.29180E-07 -7.5349 0.82263E+00 -0.0848 48 FeCl+ 0.31816E-14 -14.4974 0.26230E-14 -14.5812 0.82443E+00 -0.0838 51 FeF+ 0.57739E-14 -14.2385 0.47602E-14 -14.3224 0.82443E+00 -0.0838 54 FeOH+ 0.17951E-15 -15.7459 0.14799E-15 -15.8298 0.82443E+00 -0.0838 60 H2,aq 0.32492E-08 -8.4882 0.31526E-08 -8.5013 0.97028E+00 -0.0131 61 KCl,aq 0.24446E-07 -7.6118 0.24446E-07 -7.6118 0.10000E+01 0.0000 62 KHSO4,aq 0.12884E-10 -10.8899 0.12884E-10 -10.8899 0.10000E+01 0.0000 63 KOH,aq 0.15803E-11 -11.8013 0.15803E-11 -11.8013 0.10000E+01 0.0000 64 KSO4- 0.26018E-05 -5.5847 0.21403E-05 -5.6695 0.82263E+00 -0.0848 65 MgCO3,aq 0.74950E-15 -15.1252 0.74950E-15 -15.1252 0.10000E+01 0.0000 66 Mg(HCO3)+ 0.28537E-11 -11.5446 0.23526E-11 -11.6284 0.82443E+00 -0.0838 67 MgCl+ 0.80433E-12 -12.0946 0.66312E-12 -12.1784 0.82443E+00 -0.0838 68 MgF+ 0.16671E-11 -11.7780 0.13744E-11 -11.8619 0.82443E+00 -0.0838 69 MgOH+ 0.59332E-15 -15.2267 0.48915E-15 -15.3106 0.82443E+00 -0.0838 71 MnF+ 0.12356E-10 -10.9081 0.10187E-10 -10.9920 0.82443E+00 -0.0838 72 MnO,aq 0.92525E-18 -18.0337 0.92525E-18 -18.0337 0.10000E+01 0.0000 73 MnOH+ 0.10826E-12 -12.9655 0.89257E-13 -13.0494 0.82443E+00 -0.0838 78 MnCl+ 0.80362E-10 -10.0949 0.66253E-10 -10.1788 0.82443E+00 -0.0838 79 MnSO4,aq 0.31762E-09 -9.4981 0.31762E-09 -9.4981 0.10000E+01 0.0000 80 NaCl,aq 0.64183E-04 -4.1926 0.64183E-04 -4.1926 0.10000E+01 0.0000 81 NaF,aq 0.25487E-05 -5.5937 0.25487E-05 -5.5937 0.10000E+01 0.0000 82 NaOH,aq 0.22829E-09 -9.6415 0.22829E-09 -9.6415 0.10000E+01 0.0000 84 OH- 0.21235E-07 -7.6730 0.17432E-07 -7.7587 0.82093E+00 -0.0857 91 H2PO3- 0.47326E-19 -19.3249 0.38932E-19 -19.4097 0.82263E+00 -0.0848 92 H3PO4,aq 0.45515E-09 -9.3419 0.45515E-09 -9.3419 0.10000E+01 0.0000 93 H2PO4- 0.44124E-07 -7.3553 0.36337E-07 -7.4397 0.82352E+00 -0.0843 94 PO4-3 0.67347E-17 -17.1717 0.14724E-17 -17.8320 0.21863E+00 -0.6603 96 H3P2O7- 0.12871E-17 -17.8904 0.10588E-17 -17.9752 0.82263E+00 -0.0848 97 H2P2O7-2 0.21084E-15 -15.6760 0.10386E-15 -15.9835 0.49261E+00 -0.3075 98 HP2O7-3 0.30338E-17 -17.5180 0.62774E-18 -18.2022 0.20691E+00 -0.6842 100 H2S,aq 0.18557E-01 -1.7315 0.18005E-01 -1.7446 0.97028E+00 -0.0131 101 S2-2 0.44364E-09 -9.3530 0.21854E-09 -9.6605 0.49261E+00 -0.3075 102 S3-2 0.34135E-08 -8.4668 0.16816E-08 -8.7743 0.49261E+00 -0.3075 103 S3- 0.80624E-06 -6.0935 0.66324E-06 -6.1783 0.82263E+00 -0.0848 104 S4-2 0.17350E-07 -7.7607 0.85469E-08 -8.0682 0.49261E+00 -0.3075 105 S5-2 0.58803E-07 -7.2306 0.28967E-07 -7.5381 0.49261E+00 -0.3075 106 SO2,aq 0.17394E-10 -10.7596 0.17394E-10 -10.7596 0.10000E+01 0.0000 107 SO3-2 0.92295E-12 -12.0348 0.46220E-12 -12.3352 0.50079E+00 -0.3003 108 HSO3- 0.11623E-08 -8.9347 0.95610E-09 -9.0195 0.82263E+00 -0.0848 109 HSO4- 0.43382E-04 -4.3627 0.35806E-04 -4.4460 0.82536E+00 -0.0834 111 S2O3-2 0.48439E-06 -6.3148 0.23862E-06 -6.6223 0.49261E+00 -0.3075 112 HS2O3- 0.17135E-08 -8.7661 0.14096E-08 -8.8509 0.82263E+00 -0.0848 113 H2S2O3,aq 0.74656E-12 -12.1269 0.74656E-12 -12.1269 0.10000E+01 0.0000 121 S4O6-2 0.84923E-14 -14.0710 0.41834E-14 -14.3785 0.49261E+00 -0.3075 Charge balance for all species = -.5905E-08 Component Molality Aq.molality ppm log[A(N)/A(H+)**Z] (total) 1 H+ 0.3988451E-04 0.1789303E+00 0.1787136E+03 0.0000 2 H2O 0.1000000E+01 0.5534810E+02 0.9880598E+06 0.0000 3 Cl- 0.1336848E-01 0.1343275E-01 0.4719077E+03 2.5223 4 SO4-- 0.2277337E-02 0.2324417E-02 0.2212599E+03 6.0130 5 HCO3- 0.2662693E-02 0.1628104E+00 0.9844044E+04 1.8222 6 HS- 0.2143185E-03 0.1877356E-01 0.6152423E+03 0.7273 7 Al+++ 0.1427732E-11 0.2964641E-09 0.7926422E-05 0.9129 8 H4SiO4 0.1018060E-02 0.1018103E-02 0.9696694E+02 -2.9922 9 Ca++ 0.1822665E-06 0.2231141E-06 0.8860782E-02 1.9126 10 Mg++ 0.8440155E-10 0.8972801E-10 0.2161662E-05 -1.4241 11 Fe++ 0.3089858E-12 0.3181208E-12 0.1760479E-07 -3.8599 12 K+ 0.1488046E-03 0.1514309E-03 0.5867491E+01 0.5697 13 Na+ 0.2141240E-01 0.2147914E-01 0.4893179E+03 2.7268 14 Mn++ 0.2004155E-08 0.2414604E-08 0.1314492E-03 -0.0475 15 F- 0.7532286E-03 0.8956590E-03 0.1686124E+02 1.2721 16 HPO4-- 0.1207172E-09 0.4469947E-07 0.4251259E-02 -1.2626 Component Tot moles Aq. moles Solid moles Gas moles 1 H+ 0.2060899E+00 0.1668763E+00 0.3921362E-01 0.0000000E+00 2 H2O 0.5156567E+02 0.5161945E+02 -.5378079E-01 0.0000000E+00 3 Cl- 0.1252783E-01 0.1252783E-01 0.0000000E+00 0.0000000E+00 4 SO4-- 0.1001247E-01 0.2167827E-02 0.7844640E-02 0.0000000E+00 5 HCO3- 0.1518423E+00 0.1518423E+00 0.0000000E+00 0.0000000E+00 6 HS- 0.4104279E-01 0.1750884E-01 0.2353395E-01 0.0000000E+00 7 Al+++ 0.4775352E-05 0.2764921E-09 0.4775076E-05 0.0000000E+00 8 H4SiO4 0.1215302E-01 0.9495162E-03 0.1120350E-01 0.0000000E+00 9 Ca++ 0.2080835E-06 0.2080835E-06 0.0000000E+00 0.0000000E+00 10 Mg++ 0.8368328E-10 0.8368328E-10 0.0000000E+00 0.0000000E+00 11 Fe++ 0.3259227E-07 0.2966899E-12 0.3259197E-07 0.0000000E+00 12 K+ 0.1412294E-03 0.1412294E-03 0.0000000E+00 0.0000000E+00 13 Na+ 0.2003215E-01 0.2003215E-01 0.0000000E+00 0.0000000E+00 14 Mn++ 0.2251939E-08 0.2251939E-08 0.0000000E+00 0.0000000E+00 15 F- 0.8400960E-03 0.8353209E-03 0.4775076E-05 0.0000000E+00 16 HPO4-- 0.4168819E-07 0.4168819E-07 0.0000000E+00 0.0000000E+00 Chg. balance for solid moles: 0.1689E-17 Mass of aqueous solution: 0.941178E+03 g Temperature = 100.00 C Pressure = 50.00 bar Mixer frac. = 2.0999900 Log Log Vol Gas or mineral Moles Moles Grams Grams Wt.% (cm3) pyrite 0.3259E-07 -7.487 0.3910E-05 -5.408 0.2328E-03 0.7802E-06 quartz 0.1120E-01 -1.951 0.6730 -0.172 40.07 0.2541 sulfur 0.3138E-01 -1.503 1.006 0.003 59.90 0.4867 topaz 0.2388E-05 -5.622 0.4394E-03 -3.357 0.2616E-01 0.1230E-03 Partial press. Fugacity coef Log fugacity Gas or Mineral Mole fraction or activity Activity coef Log activity pyrite 0.1000E+01 0.1000E+01 1.0000 0.000 quartz 0.1000E+01 0.1000E+01 1.0000 0.000 sulfur 0.1000E+01 0.1000E+01 1.0000 0.000 topaz 0.1000E+01 0.1000E+01 1.0000 0.000 Solid products produced: Mass = 1.679402 g Volume = 0.740957 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. Reactant consumed: 2.0999900 moles log = 0.3222 Original solution: 1000.0103000 g Original solution / Rock added: 476.20 (Water/Rock Ratio), log = 2.6778 Gas composition at saturation ( 3 iterations) ------------------------------------------------- Temperature: 100.0000 deg.C Sat. pressure: 19.2037 bar Gas Mole fraction phi Fugacity Partial P(bar) H2O,gas 0.5815E-01 0.8979 0.1003E+01 0.1117E+01 CO2,gas 0.9141E+00 0.9471 0.1662E+02 0.1755E+02 CH4,gas 0.2514E-07 1.0155 0.4903E-06 0.4829E-06 H2,gas 0.2133E-06 1.0103 0.4139E-05 0.4097E-05 H2S,gas 0.2774E-01 0.9290 0.4949E+00 0.5328E+00 S2,gas 0.2795E-10 1.0000 0.5368E-09 0.5368E-09 CO,gas 0.9580E-09 1.0000 0.1840E-07 0.1840E-07 SO3,gas 0.2425E-28 1.0000 0.4656E-27 0.4656E-27 SO2,gas 0.3917E-11 1.0000 0.7522E-10 0.7522E-10 HF,gas 0.1788E-07 1.0000 0.3433E-06 0.3433E-06 HCl,gas 0.6118E-11 1.0000 0.1175E-09 0.1175E-09 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 145 pyrite -21.25 -21.25 0.00 0.000 0.00000E+00 150 quartz -2.99 -2.99 0.00 0.000 0.00000E+00 172 sulfur -9.15 -9.15 0.00 0.000 -0.30331E-11 214 topaz -16.55 -16.55 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 1.70 0.00 -1.70 -1.698 0.28989E+04 0.001 2 CO2,gas -6.66 -7.14 -0.48 -0.159 0.81653E+03 1.221 3 CH4,gas 4.54 -3.46 -8.01 -2.002 0.13674E+05 -6.310 4 H2,gas 8.00 0.92 -7.08 -4.047 0.12092E+05 -5.383 5 H2S,gas -6.23 -8.23 -2.00 -1.002 0.34225E+04 -0.305 6 S2,gas -7.34 -18.30 -10.97 -1.688 0.18730E+05 -9.270 7 CO,gas 3.21 -6.22 -9.43 -2.903 0.16109E+05 -7.735 8 SO3,gas 17.12 -11.91 -29.03 -7.258 0.49570E+05 -27.332 9 SO2,gas 0.83 -10.99 -11.82 -3.153 0.20187E+05 -10.124 10 HF,gas 0.47 -7.69 -8.16 -4.082 0.13939E+05 -6.464 11 HCl,gas 5.19 -6.44 -11.63 -5.815 0.19856E+05 -9.930 17 albite -0.38 -5.33 -4.95 -0.381 0.84479E+04 25 anhydrite -5.32 -10.00 -4.68 -2.341 0.79937E+04 57 coesite -2.38 -2.99 -0.61 -0.204 0.10473E+04 64 cristobalite -2.56 -2.99 -0.43 -0.143 0.73267E+03 68 diaspore 2.87 0.91 -1.96 -0.327 0.33528E+04 69 diamond -3.10 -5.30 -2.20 -0.628 0.37527E+04 86 gibbsite 4.08 0.91 -3.17 -0.453 0.54138E+04 89 graphite -3.55 -5.30 -1.75 -0.501 0.29949E+04 101 kaolinite -1.33 -4.16 -2.83 -0.257 0.48276E+04 149 pyrophyllite -6.18 -10.14 -3.96 -0.248 0.67646E+04 181 tridymite -2.63 -2.99 -0.36 -0.121 0.61998E+03 202 chalcedony -2.80 -2.99 -0.19 -0.062 0.31930E+03 237 boehmite 4.41 0.91 -3.50 -0.583 0.59697E+04 240 fluorite -9.93 -13.47 -3.54 -1.179 0.60384E+04 245 silica-amorphous -2.09 -2.99 -0.90 -0.299 0.15335E+04 Calculations done for 100.0000 Deg. C; 50.0000 bar Next reactant titration increment of: 0.1000000 MOLES Current total amount of reactant added: 2.0999900 MOLES New total amount of reactant added: 2.1999900 MOLES Solids and gases carried Charge balance check after fractionation or titration: TBAL = -.5508E-08 ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ Magmatic gas scrubbing preliminary calculation. React meteoric water with andesite, Getahun et al. 1996 J. Volc. Geotherm. Res. 71(73-107). Table 1 page 82 sample MAF-1 ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ Number of loops used = 14 Loop limit = 400 Temperature = 100.00 C Pressure = 50.00 bar Mixer fraction = 2.1999900 Water: Moles liquid = 0.5186E+02 kg liquid = 0.9343E+00 Moles total = 0.5165E+02 kg total = 0.9304E+00 Activity = 0.9967 Stoichiometric ionic strength = .1171178E+00 Osmotic coef. = 0.8948 True ionic strength = .2357128E-01 Chg. balance for total moles = -.5508E-08 Max. difference allowed = 0.1312E-05 Log Log Log Species(n) Molality Molality Activity Activity Gamma Gamma 1 H+ 0.43337E-04 -4.3631 0.35923E-04 -4.4446 0.82892E+00 -0.0815 2 H2O 0.99666E+00 -0.0015 0.99666E+00 -0.0015 3 Cl- 0.13973E-01 -1.8547 0.11504E-01 -1.9392 0.82327E+00 -0.0845 4 SO4-- 0.20067E-02 -2.6975 0.99436E-03 -3.0025 0.49551E+00 -0.3049 5 HCO3- 0.25601E-02 -2.5917 0.21111E-02 -2.6755 0.82464E+00 -0.0837 6 HS- 0.19403E-03 -3.7121 0.15976E-03 -3.7965 0.82341E+00 -0.0844 7 Al+++ 0.16217E-11 -11.7900 0.33786E-12 -12.4713 0.20833E+00 -0.6812 8 H4SiO4 0.10178E-02 -2.9923 0.10178E-02 -2.9923 0.10000E+01 0.0000 9 Ca++ 0.18499E-06 -6.7329 0.90899E-07 -7.0414 0.49137E+00 -0.3086 10 Mg++ 0.84253E-10 -10.0744 0.41185E-10 -10.3853 0.48882E+00 -0.3109 11 Fe++ 0.36951E-12 -12.4324 0.18085E-12 -12.7427 0.48943E+00 -0.3103 12 K+ 0.14884E-03 -3.8273 0.12277E-03 -3.9109 0.82486E+00 -0.0836 13 Na+ 0.21371E-01 -1.6702 0.17591E-01 -1.7547 0.82309E+00 -0.0846 14 Mn++ 0.20270E-08 -8.6932 0.99299E-09 -9.0031 0.48989E+00 -0.3099 15 F- 0.77719E-03 -3.1095 0.63834E-03 -3.1949 0.82135E+00 -0.0855 16 HPO4-- 0.11045E-09 -9.9568 0.54740E-10 -10.2617 0.49559E+00 -0.3049 17 SiF6-2 0.74682E-15 -15.1268 0.36917E-15 -15.4328 0.49432E+00 -0.3060 18 HSiO3- 0.32242E-07 -7.4916 0.26544E-07 -7.5760 0.82327E+00 -0.0845 19 Ca(HSiO3)+ 0.66600E-13 -13.1765 0.54949E-13 -13.2600 0.82506E+00 -0.0835 20 Mg(HSiO3)+ 0.37553E-16 -16.4254 0.30984E-16 -16.5089 0.82506E+00 -0.0835 21 NaHSiO3,aq 0.75518E-08 -8.1219 0.75518E-08 -8.1219 0.10000E+01 0.0000 22 AlO+ 0.43026E-10 -10.3663 0.35499E-10 -10.4498 0.82506E+00 -0.0835 23 AlOH+2 0.12948E-10 -10.8878 0.63499E-11 -11.1972 0.49043E+00 -0.3094 24 HAlO2,aq 0.19614E-09 -9.7074 0.19614E-09 -9.7074 0.10000E+01 0.0000 25 AlO2- 0.14711E-10 -10.8324 0.12086E-10 -10.9177 0.82158E+00 -0.0853 26 CH4,aq 0.33870E-09 -9.4702 0.32838E-09 -9.4836 0.96955E+00 -0.0134 31 CO,aq 0.12728E-10 -10.8952 0.12728E-10 -10.8952 0.10000E+01 0.0000 32 CO2,aq 0.16770E+00 -0.7755 0.16259E+00 -0.7889 0.96955E+00 -0.0134 33 CO3-2 0.10384E-07 -7.9836 0.51332E-08 -8.2896 0.49432E+00 -0.3060 34 CaCO3,aq 0.58507E-11 -11.2328 0.58507E-11 -11.2328 0.10000E+01 0.0000 35 Ca(HCO3)+ 0.59371E-08 -8.2264 0.48985E-08 -8.3099 0.82506E+00 -0.0835 36 CaCl+ 0.20511E-08 -8.6880 0.16922E-08 -8.7715 0.82506E+00 -0.0835 37 CaCl2,aq 0.46249E-11 -11.3349 0.46249E-11 -11.3349 0.10000E+01 0.0000 38 CaF+ 0.10268E-08 -8.9885 0.84717E-09 -9.0720 0.82506E+00 -0.0835 39 CaOH+ 0.21785E-12 -12.6618 0.17974E-12 -12.7454 0.82506E+00 -0.0835 40 CaSO4,aq 0.28702E-07 -7.5421 0.28702E-07 -7.5421 0.10000E+01 0.0000 41 HCl,aq 0.75726E-07 -7.1208 0.75726E-07 -7.1208 0.10000E+01 0.0000 45 HF,aq 0.15698E-03 -3.8042 0.15698E-03 -3.8042 0.10000E+01 0.0000 46 HF2- 0.41095E-07 -7.3862 0.33833E-07 -7.4707 0.82327E+00 -0.0845 48 FeCl+ 0.39912E-14 -14.3989 0.32929E-14 -14.4824 0.82506E+00 -0.0835 51 FeF+ 0.71501E-14 -14.1457 0.58993E-14 -14.2292 0.82506E+00 -0.0835 54 FeOH+ 0.19795E-15 -15.7034 0.16332E-15 -15.7870 0.82506E+00 -0.0835 60 H2,aq 0.32033E-08 -8.4944 0.31058E-08 -8.5078 0.96955E+00 -0.0134 61 KCl,aq 0.25597E-07 -7.5918 0.25597E-07 -7.5918 0.10000E+01 0.0000 62 KHSO4,aq 0.12399E-10 -10.9066 0.12399E-10 -10.9066 0.10000E+01 0.0000 63 KOH,aq 0.14546E-11 -11.8373 0.14546E-11 -11.8373 0.10000E+01 0.0000 64 KSO4- 0.23010E-05 -5.6381 0.18943E-05 -5.7225 0.82327E+00 -0.0845 65 MgCO3,aq 0.66445E-15 -15.1775 0.66445E-15 -15.1775 0.10000E+01 0.0000 66 Mg(HCO3)+ 0.27487E-11 -11.5609 0.22678E-11 -11.6444 0.82506E+00 -0.0835 67 MgCl+ 0.84226E-12 -12.0746 0.69491E-12 -12.1581 0.82506E+00 -0.0835 68 MgF+ 0.17233E-11 -11.7636 0.14218E-11 -11.8471 0.82506E+00 -0.0835 69 MgOH+ 0.54617E-15 -15.2627 0.45062E-15 -15.3462 0.82506E+00 -0.0835 71 MnF+ 0.12940E-10 -10.8881 0.10677E-10 -10.9716 0.82506E+00 -0.0835 72 MnO,aq 0.79421E-18 -18.1001 0.79421E-18 -18.1001 0.10000E+01 0.0000 73 MnOH+ 0.10097E-12 -12.9958 0.83307E-13 -13.0793 0.82506E+00 -0.0835 78 MnCl+ 0.85258E-10 -10.0693 0.70342E-10 -10.1528 0.82506E+00 -0.0835 79 MnSO4,aq 0.28505E-09 -9.5451 0.28505E-09 -9.5451 0.10000E+01 0.0000 80 NaCl,aq 0.67061E-04 -4.1735 0.67061E-04 -4.1735 0.10000E+01 0.0000 81 NaF,aq 0.26289E-05 -5.5802 0.26289E-05 -5.5802 0.10000E+01 0.0000 82 NaOH,aq 0.20968E-09 -9.6784 0.20968E-09 -9.6784 0.10000E+01 0.0000 84 OH- 0.19511E-07 -7.7097 0.16030E-07 -7.7951 0.82158E+00 -0.0853 91 H2PO3- 0.46514E-19 -19.3324 0.38294E-19 -19.4169 0.82327E+00 -0.0845 92 H3PO4,aq 0.49406E-09 -9.3062 0.49406E-09 -9.3062 0.10000E+01 0.0000 93 H2PO4- 0.44016E-07 -7.3564 0.36276E-07 -7.4404 0.82415E+00 -0.0840 94 PO4-3 0.56442E-17 -17.2484 0.12433E-17 -17.9054 0.22027E+00 -0.6570 96 H3P2O7- 0.13939E-17 -17.8558 0.11476E-17 -17.9402 0.82327E+00 -0.0845 97 H2P2O7-2 0.20943E-15 -15.6790 0.10353E-15 -15.9849 0.49432E+00 -0.3060 98 HP2O7-3 0.27588E-17 -17.5593 0.57545E-18 -18.2400 0.20858E+00 -0.6807 100 H2S,aq 0.18295E-01 -1.7377 0.17738E-01 -1.7511 0.96955E+00 -0.0134 101 S2-2 0.36838E-09 -9.4337 0.18210E-09 -9.7397 0.49432E+00 -0.3060 102 S3-2 0.28345E-08 -8.5475 0.14011E-08 -8.8535 0.49432E+00 -0.3060 103 S3- 0.73538E-06 -6.1335 0.60542E-06 -6.2179 0.82327E+00 -0.0845 104 S4-2 0.14407E-07 -7.8414 0.71216E-08 -8.1474 0.49432E+00 -0.3060 105 S5-2 0.48828E-07 -7.3113 0.24137E-07 -7.6173 0.49432E+00 -0.3060 106 SO2,aq 0.17918E-10 -10.7467 0.17918E-10 -10.7467 0.10000E+01 0.0000 107 SO3-2 0.80142E-12 -12.0961 0.40266E-12 -12.3951 0.50244E+00 -0.2989 108 HSO3- 0.11001E-08 -8.9586 0.90568E-09 -9.0430 0.82327E+00 -0.0845 109 HSO4- 0.41678E-04 -4.3801 0.34425E-04 -4.4631 0.82597E+00 -0.0830 111 S2O3-2 0.42054E-06 -6.3762 0.20788E-06 -6.6822 0.49432E+00 -0.3060 112 HS2O3- 0.16219E-08 -8.7900 0.13352E-08 -8.8744 0.82327E+00 -0.0845 113 H2S2O3,aq 0.76895E-12 -12.1141 0.76895E-12 -12.1141 0.10000E+01 0.0000 121 S4O6-2 0.77085E-14 -14.1130 0.38104E-14 -14.4190 0.49432E+00 -0.3060 Charge balance for all species = -.5895E-08 Component Molality Aq.molality ppm log[A(N)/A(H+)**Z] (total) 1 H+ 0.4333711E-04 0.1862389E+00 0.1859559E+03 0.0000 2 H2O 0.1000000E+01 0.5534055E+02 0.9876199E+06 0.0000 3 Cl- 0.1397323E-01 0.1404039E-01 0.4931024E+03 2.5055 4 SO4-- 0.2006737E-02 0.2051687E-02 0.1952387E+03 5.8868 5 HCO3- 0.2560096E-02 0.1702598E+00 0.1029128E+05 1.7691 6 HS- 0.1940252E-03 0.1849099E-01 0.6057948E+03 0.6481 7 Al+++ 0.1621747E-11 0.2684442E-09 0.7175052E-05 0.8626 8 H4SiO4 0.1017793E-02 0.1017833E-02 0.9691129E+02 -2.9923 9 Ca++ 0.1849901E-06 0.2227178E-06 0.8842314E-02 1.8478 10 Mg++ 0.8425314E-10 0.8956866E-10 0.2157156E-05 -1.4960 11 Fe++ 0.3695051E-12 0.3808444E-12 0.2106941E-07 -3.8534 12 K+ 0.1488354E-03 0.1511619E-03 0.5855262E+01 0.5337 13 Na+ 0.2137130E-01 0.2144099E-01 0.4882981E+03 2.6899 14 Mn++ 0.2026965E-08 0.2410316E-08 0.1311752E-03 -0.1138 15 F- 0.7771885E-03 0.9368815E-03 0.1763183E+02 1.2497 16 HPO4-- 0.1104544E-09 0.4462009E-07 0.4242399E-02 -1.3724 Component Tot moles Aq. moles Solid moles Gas moles 1 H+ 0.2168574E+00 0.1740015E+00 0.4285588E-01 0.0000000E+00 2 H2O 0.5164754E+02 0.5170423E+02 -.5669173E-01 0.0000000E+00 3 Cl- 0.1311783E-01 0.1311783E-01 0.0000000E+00 0.0000000E+00 4 SO4-- 0.1048997E-01 0.1916875E-02 0.8573092E-02 0.0000000E+00 5 HCO3- 0.1590723E+00 0.1590723E+00 0.0000000E+00 0.0000000E+00 6 HS- 0.4299529E-01 0.1727599E-01 0.2571931E-01 0.0000000E+00 7 Al+++ 0.4775352E-05 0.2508053E-09 0.4775101E-05 0.0000000E+00 8 H4SiO4 0.1215302E-01 0.9509532E-03 0.1120207E-01 0.0000000E+00 9 Ca++ 0.2080835E-06 0.2080835E-06 0.0000000E+00 0.0000000E+00 10 Mg++ 0.8368328E-10 0.8368328E-10 0.0000000E+00 0.0000000E+00 11 Fe++ 0.3259227E-07 0.3558199E-12 0.3259191E-07 0.0000000E+00 12 K+ 0.1412294E-03 0.1412294E-03 0.0000000E+00 0.0000000E+00 13 Na+ 0.2003215E-01 0.2003215E-01 0.0000000E+00 0.0000000E+00 14 Mn++ 0.2251939E-08 0.2251939E-08 0.0000000E+00 0.0000000E+00 15 F- 0.8800960E-03 0.8753209E-03 0.4775101E-05 0.0000000E+00 16 HPO4-- 0.4168819E-07 0.4168819E-07 0.0000000E+00 0.0000000E+00 Chg. balance for solid moles: -.7239E-17 Mass of aqueous solution: 0.943143E+03 g Temperature = 100.00 C Pressure = 50.00 bar Mixer frac. = 2.1999900 Log Log Vol Gas or mineral Moles Moles Grams Grams Wt.% (cm3) pyrite 0.3259E-07 -7.487 0.3910E-05 -5.408 0.2206E-03 0.7802E-06 quartz 0.1120E-01 -1.951 0.6729 -0.172 37.96 0.2541 sulfur 0.3429E-01 -1.465 1.099 0.041 62.02 0.5319 topaz 0.2388E-05 -5.622 0.4394E-03 -3.357 0.2479E-01 0.1230E-03 Partial press. Fugacity coef Log fugacity Gas or Mineral Mole fraction or activity Activity coef Log activity pyrite 0.1000E+01 0.1000E+01 1.0000 0.000 quartz 0.1000E+01 0.1000E+01 1.0000 0.000 sulfur 0.1000E+01 0.1000E+01 1.0000 0.000 topaz 0.1000E+01 0.1000E+01 1.0000 0.000 Solid products produced: Mass = 1.772732 g Volume = 0.786119 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. Reactant consumed: 2.1999900 moles log = 0.3424 Original solution: 1000.0103000 g Original solution / Rock added: 454.55 (Water/Rock Ratio), log = 2.6576 Gas composition at saturation ( 3 iterations) ------------------------------------------------- Temperature: 100.0000 deg.C Sat. pressure: 20.0609 bar Gas Mole fraction phi Fugacity Partial P(bar) H2O,gas 0.5591E-01 0.8939 0.1003E+01 0.1122E+01 CO2,gas 0.9178E+00 0.9448 0.1740E+02 0.1841E+02 CH4,gas 0.2371E-07 1.0160 0.4834E-06 0.4757E-06 H2,gas 0.2011E-06 1.0108 0.4078E-05 0.4034E-05 H2S,gas 0.2625E-01 0.9260 0.4876E+00 0.5266E+00 S2,gas 0.2676E-10 1.0000 0.5368E-09 0.5368E-09 CO,gas 0.9455E-09 1.0000 0.1897E-07 0.1897E-07 SO3,gas 0.2427E-28 1.0000 0.4868E-27 0.4868E-27 SO2,gas 0.3862E-11 1.0000 0.7748E-10 0.7748E-10 HF,gas 0.1921E-07 1.0000 0.3854E-06 0.3854E-06 HCl,gas 0.6661E-11 1.0000 0.1336E-09 0.1336E-09 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 145 pyrite -21.25 -21.25 0.00 0.000 0.00000E+00 150 quartz -2.99 -2.99 0.00 0.000 0.00000E+00 172 sulfur -9.15 -9.15 0.00 0.000 -0.30331E-11 214 topaz -16.55 -16.55 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 1.70 0.00 -1.70 -1.698 0.28990E+04 0.001 2 CO2,gas -6.66 -7.12 -0.46 -0.153 0.78292E+03 1.240 3 CH4,gas 4.54 -3.47 -8.01 -2.004 0.13685E+05 -6.316 4 H2,gas 8.00 0.91 -7.09 -4.051 0.12104E+05 -5.390 5 H2S,gas -6.23 -8.24 -2.01 -1.005 0.34336E+04 -0.312 6 S2,gas -7.34 -18.30 -10.97 -1.688 0.18730E+05 -9.270 7 CO,gas 3.21 -6.21 -9.42 -2.899 0.16086E+05 -7.722 8 SO3,gas 17.12 -11.89 -29.01 -7.253 0.49537E+05 -27.313 9 SO2,gas 0.83 -10.98 -11.81 -3.149 0.20165E+05 -10.111 10 HF,gas 0.47 -7.64 -8.11 -4.057 0.13853E+05 -6.414 11 HCl,gas 5.19 -6.38 -11.57 -5.787 0.19761E+05 -9.874 25 anhydrite -5.32 -10.04 -4.73 -2.364 0.80714E+04 57 coesite -2.38 -2.99 -0.61 -0.204 0.10473E+04 64 cristobalite -2.56 -2.99 -0.43 -0.143 0.73267E+03 68 diaspore 2.87 0.86 -2.01 -0.336 0.34388E+04 69 diamond -3.10 -5.29 -2.19 -0.626 0.37411E+04 86 gibbsite 4.08 0.86 -3.22 -0.460 0.54999E+04 89 graphite -3.55 -5.29 -1.75 -0.499 0.29833E+04 101 kaolinite -1.33 -4.26 -2.93 -0.266 0.49997E+04 149 pyrophyllite -6.18 -10.24 -4.06 -0.254 0.69366E+04 181 tridymite -2.63 -2.99 -0.36 -0.121 0.61998E+03 202 chalcedony -2.80 -2.99 -0.19 -0.062 0.31930E+03 237 boehmite 4.41 0.86 -3.55 -0.591 0.60557E+04 240 fluorite -9.93 -13.43 -3.50 -1.167 0.59772E+04 245 silica-amorphous -2.09 -2.99 -0.90 -0.299 0.15335E+04 Calculations done for 100.0000 Deg. C; 50.0000 bar Next reactant titration increment of: 0.1000000 MOLES Current total amount of reactant added: 2.1999900 MOLES New total amount of reactant added: 2.2999900 MOLES Solids and gases carried Charge balance check after fractionation or titration: TBAL = -.5508E-08 ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ Magmatic gas scrubbing preliminary calculation. React meteoric water with andesite, Getahun et al. 1996 J. Volc. Geotherm. Res. 71(73-107). Table 1 page 82 sample MAF-1 ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ Number of loops used = 14 Loop limit = 400 Temperature = 100.00 C Pressure = 50.00 bar Mixer fraction = 2.2999900 Water: Moles liquid = 0.5195E+02 kg liquid = 0.9360E+00 Moles total = 0.5173E+02 kg total = 0.9319E+00 Activity = 0.9965 Stoichiometric ionic strength = .1205027E+00 Osmotic coef. = 0.8975 True ionic strength = .2327260E-01 Chg. balance for total moles = -.5508E-08 Max. difference allowed = 0.1371E-05 Log Log Log Species(n) Molality Molality Activity Activity Gamma Gamma 1 H+ 0.47328E-04 -4.3249 0.39258E-04 -4.4061 0.82950E+00 -0.0812 2 H2O 0.99653E+00 -0.0015 0.99653E+00 -0.0015 3 Cl- 0.14576E-01 -1.8364 0.12009E-01 -1.9205 0.82389E+00 -0.0841 4 SO4-- 0.17451E-02 -2.7582 0.86760E-03 -3.0617 0.49718E+00 -0.3035 5 HCO3- 0.24439E-02 -2.6119 0.20169E-02 -2.6953 0.82525E+00 -0.0834 6 HS- 0.17496E-03 -3.7571 0.14417E-03 -3.8411 0.82403E+00 -0.0841 7 Al+++ 0.18687E-11 -11.7285 0.39238E-12 -12.4063 0.20998E+00 -0.6778 8 H4SiO4 0.10175E-02 -2.9925 0.10175E-02 -2.9925 0.10000E+01 0.0000 9 Ca++ 0.18778E-06 -6.7264 0.92586E-07 -7.0335 0.49306E+00 -0.3071 10 Mg++ 0.84125E-10 -10.0751 0.41266E-10 -10.3844 0.49053E+00 -0.3093 11 Fe++ 0.44593E-12 -12.3507 0.21901E-12 -12.6595 0.49113E+00 -0.3088 12 K+ 0.14886E-03 -3.8272 0.12288E-03 -3.9105 0.82546E+00 -0.0833 13 Na+ 0.21330E-01 -1.6710 0.17570E-01 -1.7552 0.82372E+00 -0.0842 14 Mn++ 0.20498E-08 -8.6883 0.10077E-08 -8.9967 0.49159E+00 -0.3084 15 F- 0.79872E-03 -3.0976 0.65653E-03 -3.1827 0.82199E+00 -0.0851 16 HPO4-- 0.10055E-09 -9.9976 0.49997E-10 -10.3011 0.49726E+00 -0.3034 17 SiF6-2 0.12570E-14 -14.9007 0.62344E-15 -15.2052 0.49599E+00 -0.3045 18 HSiO3- 0.29477E-07 -7.5305 0.24286E-07 -7.6147 0.82389E+00 -0.0841 19 Ca(HSiO3)+ 0.62019E-13 -13.2075 0.51207E-13 -13.2907 0.82566E+00 -0.0832 20 Mg(HSiO3)+ 0.34401E-16 -16.4634 0.28403E-16 -16.5466 0.82566E+00 -0.0832 21 NaHSiO3,aq 0.69013E-08 -8.1611 0.69013E-08 -8.1611 0.10000E+01 0.0000 22 AlO+ 0.41803E-10 -10.3788 0.34515E-10 -10.4620 0.82566E+00 -0.0832 23 AlOH+2 0.13710E-10 -10.8630 0.67471E-11 -11.1709 0.49213E+00 -0.3079 24 HAlO2,aq 0.17448E-09 -9.7583 0.17448E-09 -9.7583 0.10000E+01 0.0000 25 AlO2- 0.11965E-10 -10.9221 0.98380E-11 -11.0071 0.82222E+00 -0.0850 26 CH4,aq 0.33486E-09 -9.4751 0.32442E-09 -9.4889 0.96883E+00 -0.0138 31 CO,aq 0.13108E-10 -10.8825 0.13108E-10 -10.8825 0.10000E+01 0.0000 32 CO2,aq 0.17524E+00 -0.7564 0.16978E+00 -0.7701 0.96883E+00 -0.0138 33 CO3-2 0.90472E-08 -8.0435 0.44873E-08 -8.3480 0.49599E+00 -0.3045 34 CaCO3,aq 0.52094E-11 -11.2832 0.52094E-11 -11.2832 0.10000E+01 0.0000 35 Ca(HCO3)+ 0.57730E-08 -8.2386 0.47666E-08 -8.3218 0.82566E+00 -0.0832 36 CaCl+ 0.21793E-08 -8.6617 0.17993E-08 -8.7449 0.82566E+00 -0.0832 37 CaCl2,aq 0.51336E-11 -11.2896 0.51336E-11 -11.2896 0.10000E+01 0.0000 38 CaF+ 0.10749E-08 -8.9686 0.88748E-09 -9.0518 0.82566E+00 -0.0832 39 CaOH+ 0.20286E-12 -12.6928 0.16750E-12 -12.7760 0.82566E+00 -0.0832 40 CaSO4,aq 0.25508E-07 -7.5933 0.25508E-07 -7.5933 0.10000E+01 0.0000 41 HCl,aq 0.86391E-07 -7.0635 0.86391E-07 -7.0635 0.10000E+01 0.0000 45 HF,aq 0.17645E-03 -3.7534 0.17645E-03 -3.7534 0.10000E+01 0.0000 46 HF2- 0.47471E-07 -7.3236 0.39111E-07 -7.4077 0.82389E+00 -0.0841 48 FeCl+ 0.50420E-14 -14.2974 0.41630E-14 -14.3806 0.82566E+00 -0.0832 51 FeF+ 0.88993E-14 -14.0506 0.73478E-14 -14.1338 0.82566E+00 -0.0832 54 FeOH+ 0.21917E-15 -15.6592 0.18096E-15 -15.7424 0.82566E+00 -0.0832 60 H2,aq 0.31614E-08 -8.5001 0.30629E-08 -8.5139 0.96883E+00 -0.0138 61 KCl,aq 0.26745E-07 -7.5728 0.26745E-07 -7.5728 0.10000E+01 0.0000 62 KHSO4,aq 0.11833E-10 -10.9269 0.11833E-10 -10.9269 0.10000E+01 0.0000 63 KOH,aq 0.13320E-11 -11.8755 0.13320E-11 -11.8755 0.10000E+01 0.0000 64 KSO4- 0.20079E-05 -5.6973 0.16543E-05 -5.7814 0.82389E+00 -0.0841 65 MgCO3,aq 0.58198E-15 -15.2351 0.58198E-15 -15.2351 0.10000E+01 0.0000 66 Mg(HCO3)+ 0.26292E-11 -11.5802 0.21708E-11 -11.6634 0.82566E+00 -0.0832 67 MgCl+ 0.88033E-12 -12.0554 0.72685E-12 -12.1386 0.82566E+00 -0.0832 68 MgF+ 0.17746E-11 -11.7509 0.14652E-11 -11.8341 0.82566E+00 -0.0832 69 MgOH+ 0.50032E-15 -15.3008 0.41309E-15 -15.3840 0.82566E+00 -0.0832 71 MnF+ 0.13496E-10 -10.8698 0.11143E-10 -10.9530 0.82566E+00 -0.0832 72 MnO,aq 0.67474E-18 -18.1709 0.67474E-18 -18.1709 0.10000E+01 0.0000 73 MnOH+ 0.93678E-13 -13.0284 0.77346E-13 -13.1116 0.82566E+00 -0.0832 78 MnCl+ 0.90251E-10 -10.0445 0.74517E-10 -10.1277 0.82566E+00 -0.0832 79 MnSO4,aq 0.25239E-09 -9.5979 0.25239E-09 -9.5979 0.10000E+01 0.0000 80 NaCl,aq 0.69925E-04 -4.1554 0.69925E-04 -4.1554 0.10000E+01 0.0000 81 NaF,aq 0.27007E-05 -5.5685 0.27007E-05 -5.5685 0.10000E+01 0.0000 82 NaOH,aq 0.19162E-09 -9.7176 0.19162E-09 -9.7176 0.10000E+01 0.0000 84 OH- 0.17837E-07 -7.7487 0.14666E-07 -7.8337 0.82222E+00 -0.0850 91 H2PO3- 0.45759E-19 -19.3395 0.37700E-19 -19.4237 0.82389E+00 -0.0841 92 H3PO4,aq 0.53893E-09 -9.2685 0.53893E-09 -9.2685 0.10000E+01 0.0000 93 H2PO4- 0.43902E-07 -7.3575 0.36209E-07 -7.4412 0.82477E+00 -0.0837 94 PO4-3 0.46827E-17 -17.3295 0.10391E-17 -17.9834 0.22189E+00 -0.6539 96 H3P2O7- 0.15168E-17 -17.8191 0.12497E-17 -17.9032 0.82389E+00 -0.0841 97 H2P2O7-2 0.20798E-15 -15.6820 0.10316E-15 -15.9865 0.49599E+00 -0.3045 98 HP2O7-3 0.24958E-17 -17.6028 0.52468E-18 -18.2801 0.21023E+00 -0.6773 100 H2S,aq 0.18055E-01 -1.7434 0.17493E-01 -1.7571 0.96883E+00 -0.0138 101 S2-2 0.30316E-09 -9.5183 0.15037E-09 -9.8229 0.49599E+00 -0.3045 102 S3-2 0.23327E-08 -8.6321 0.11570E-08 -8.9367 0.49599E+00 -0.3045 103 S3- 0.66774E-06 -6.1754 0.55014E-06 -6.2595 0.82389E+00 -0.0841 104 S4-2 0.11856E-07 -7.9261 0.58806E-08 -8.2306 0.49599E+00 -0.3045 105 S5-2 0.40183E-07 -7.3960 0.19930E-07 -7.7005 0.49599E+00 -0.3045 106 SO2,aq 0.18418E-10 -10.7348 0.18418E-10 -10.7348 0.10000E+01 0.0000 107 SO3-2 0.68747E-12 -12.1627 0.34652E-12 -12.4603 0.50406E+00 -0.2975 108 HSO3- 0.10338E-08 -8.9855 0.85178E-09 -9.0697 0.82389E+00 -0.0841 109 HSO4- 0.39712E-04 -4.4011 0.32825E-04 -4.4838 0.82657E+00 -0.0827 111 S2O3-2 0.36068E-06 -6.4429 0.17890E-06 -6.7474 0.49599E+00 -0.3045 112 HS2O3- 0.15242E-08 -8.8170 0.12558E-08 -8.9011 0.82389E+00 -0.0841 113 H2S2O3,aq 0.79033E-12 -12.1022 0.79033E-12 -12.1022 0.10000E+01 0.0000 121 S4O6-2 0.68904E-14 -14.1618 0.34176E-14 -14.4663 0.49599E+00 -0.3045 Charge balance for all species = -.5884E-08 Component Molality Aq.molality ppm log[A(N)/A(H+)**Z] (total) 1 H+ 0.4732817E-04 0.1935601E+00 0.1932063E+03 0.0000 2 H2O 0.1000000E+01 0.5533301E+02 0.9871804E+06 0.0000 3 Cl- 0.1457584E-01 0.1464588E-01 0.5142084E+03 2.4856 4 SO4-- 0.1745050E-02 0.1787625E-02 0.1700580E+03 5.7505 5 HCO3- 0.2443949E-02 0.1776828E+00 0.1073664E+05 1.7107 6 HS- 0.1749574E-03 0.1823252E-01 0.5971425E+03 0.5649 7 Al+++ 0.1868677E-11 0.2438258E-09 0.6515031E-05 0.8119 8 H4SiO4 0.1017526E-02 0.1017563E-02 0.9685563E+02 -2.9925 9 Ca++ 0.1877775E-06 0.2223231E-06 0.8823915E-02 1.7787 10 Mg++ 0.8412468E-10 0.8940990E-10 0.2152668E-05 -1.5723 11 Fe++ 0.4459312E-12 0.4600916E-12 0.2544573E-07 -3.8474 12 K+ 0.1488593E-03 0.1508940E-03 0.5843078E+01 0.4955 13 Na+ 0.2133036E-01 0.2140299E-01 0.4872820E+03 2.6508 14 Mn++ 0.2049813E-08 0.2406044E-08 0.1309022E-03 -0.1845 15 F- 0.7987164E-03 0.9779581E-03 0.1839920E+02 1.2233 16 HPO4-- 0.1005461E-09 0.4454100E-07 0.4233571E-02 -1.4889 Component Tot moles Aq. moles Solid moles Gas moles 1 H+ 0.2276249E+00 0.1811628E+00 0.4646211E-01 0.0000000E+00 2 H2O 0.5172941E+02 0.5178898E+02 -.5957384E-01 0.0000000E+00 3 Cl- 0.1370783E-01 0.1370783E-01 0.0000000E+00 0.0000000E+00 4 SO4-- 0.1096747E-01 0.1673130E-02 0.9294338E-02 0.0000000E+00 5 HCO3- 0.1663023E+00 0.1663023E+00 0.0000000E+00 0.0000000E+00 6 HS- 0.4494779E-01 0.1706475E-01 0.2788305E-01 0.0000000E+00 7 Al+++ 0.4775352E-05 0.2282090E-09 0.4775124E-05 0.0000000E+00 8 H4SiO4 0.1215302E-01 0.9523889E-03 0.1120063E-01 0.0000000E+00 9 Ca++ 0.2080835E-06 0.2080835E-06 0.0000000E+00 0.0000000E+00 10 Mg++ 0.8368328E-10 0.8368328E-10 0.0000000E+00 0.0000000E+00 11 Fe++ 0.3259227E-07 0.4306232E-12 0.3259184E-07 0.0000000E+00 12 K+ 0.1412294E-03 0.1412294E-03 0.0000000E+00 0.0000000E+00 13 Na+ 0.2003215E-01 0.2003215E-01 0.0000000E+00 0.0000000E+00 14 Mn++ 0.2251939E-08 0.2251939E-08 0.0000000E+00 0.0000000E+00 15 F- 0.9200960E-03 0.9153209E-03 0.4775124E-05 0.0000000E+00 16 HPO4-- 0.4168819E-07 0.4168819E-07 0.0000000E+00 0.0000000E+00 Chg. balance for solid moles: 0.1143E-17 Mass of aqueous solution: 0.945110E+03 g Temperature = 100.00 C Pressure = 50.00 bar Mixer frac. = 2.2999900 Log Log Vol Gas or mineral Moles Moles Grams Grams Wt.% (cm3) pyrite 0.3259E-07 -7.487 0.3910E-05 -5.408 0.2097E-03 0.7802E-06 quartz 0.1120E-01 -1.951 0.6728 -0.172 36.07 0.2541 sulfur 0.3718E-01 -1.430 1.192 0.076 63.90 0.5766 topaz 0.2388E-05 -5.622 0.4394E-03 -3.357 0.2356E-01 0.1230E-03 Partial press. Fugacity coef Log fugacity Gas or Mineral Mole fraction or activity Activity coef Log activity pyrite 0.1000E+01 0.1000E+01 1.0000 0.000 quartz 0.1000E+01 0.1000E+01 1.0000 0.000 sulfur 0.1000E+01 0.1000E+01 1.0000 0.000 topaz 0.1000E+01 0.1000E+01 1.0000 0.000 Solid products produced: Mass = 1.865139 g Volume = 0.830834 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. Reactant consumed: 2.2999900 moles log = 0.3617 Original solution: 1000.0103000 g Original solution / Rock added: 434.79 (Water/Rock Ratio), log = 2.6383 Gas composition at saturation ( 3 iterations) ------------------------------------------------- Temperature: 100.0000 deg.C Sat. pressure: 20.9204 bar Gas Mole fraction phi Fugacity Partial P(bar) H2O,gas 0.5385E-01 0.8899 0.1002E+01 0.1127E+01 CO2,gas 0.9212E+00 0.9425 0.1816E+02 0.1927E+02 CH4,gas 0.2245E-07 1.0166 0.4775E-06 0.4697E-06 H2,gas 0.1901E-06 1.0112 0.4021E-05 0.3977E-05 H2S,gas 0.2490E-01 0.9230 0.4809E+00 0.5210E+00 S2,gas 0.2566E-10 1.0000 0.5368E-09 0.5368E-09 CO,gas 0.9337E-09 1.0000 0.1953E-07 0.1953E-07 SO3,gas 0.2425E-28 1.0000 0.5073E-27 0.5073E-27 SO2,gas 0.3807E-11 1.0000 0.7965E-10 0.7965E-10 HF,gas 0.2071E-07 1.0000 0.4332E-06 0.4332E-06 HCl,gas 0.7287E-11 1.0000 0.1524E-09 0.1524E-09 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 145 pyrite -21.25 -21.25 0.00 0.000 0.00000E+00 150 quartz -2.99 -2.99 0.00 0.000 0.00000E+00 172 sulfur -9.15 -9.15 0.00 0.000 -0.30331E-11 214 topaz -16.55 -16.55 0.00 0.000 -0.60662E-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 1.70 0.00 -1.70 -1.698 0.28991E+04 0.001 2 CO2,gas -6.66 -7.10 -0.44 -0.147 0.75087E+03 1.259 3 CH4,gas 4.54 -3.48 -8.02 -2.005 0.13694E+05 -6.321 4 H2,gas 8.00 0.91 -7.09 -4.054 0.12114E+05 -5.396 5 H2S,gas -6.23 -8.25 -2.02 -1.008 0.34439E+04 -0.318 6 S2,gas -7.34 -18.30 -10.97 -1.688 0.18730E+05 -9.270 7 CO,gas 3.21 -6.19 -9.41 -2.895 0.16064E+05 -7.709 8 SO3,gas 17.12 -11.87 -28.99 -7.248 0.49506E+05 -27.295 9 SO2,gas 0.83 -10.97 -11.80 -3.146 0.20144E+05 -10.099 10 HF,gas 0.47 -7.59 -8.06 -4.031 0.13766E+05 -6.363 11 HCl,gas 5.19 -6.33 -11.52 -5.758 0.19663E+05 -9.817 25 anhydrite -5.32 -10.10 -4.78 -2.389 0.81589E+04 57 coesite -2.38 -2.99 -0.61 -0.204 0.10473E+04 64 cristobalite -2.56 -2.99 -0.43 -0.143 0.73267E+03 68 diaspore 2.87 0.81 -2.06 -0.344 0.35256E+04 69 diamond -3.10 -5.29 -2.18 -0.624 0.37294E+04 86 gibbsite 4.08 0.81 -3.27 -0.467 0.55867E+04 89 graphite -3.55 -5.29 -1.74 -0.497 0.29717E+04 101 kaolinite -1.33 -4.36 -3.03 -0.275 0.51733E+04 149 pyrophyllite -6.18 -10.34 -4.16 -0.260 0.71102E+04 181 tridymite -2.63 -2.99 -0.36 -0.121 0.61998E+03 202 chalcedony -2.80 -2.99 -0.19 -0.062 0.31930E+03 237 boehmite 4.41 0.81 -3.60 -0.600 0.61425E+04 240 fluorite -9.93 -13.40 -3.47 -1.156 0.59219E+04 245 silica-amorphous -2.09 -2.99 -0.90 -0.299 0.15335E+04 Calculations done for 100.0000 Deg. C; 50.0000 bar Next reactant titration increment of: 0.1000000 MOLES Current total amount of reactant added: 2.2999900 MOLES New total amount of reactant added: 2.3999900 MOLES Solids and gases carried Charge balance check after fractionation or titration: TBAL = -.5508E-08 ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ Magmatic gas scrubbing preliminary calculation. React meteoric water with andesite, Getahun et al. 1996 J. Volc. Geotherm. Res. 71(73-107). Table 1 page 82 sample MAF-1 ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ Number of loops used = 14 Loop limit = 400 Temperature = 100.00 C Pressure = 50.00 bar Mixer fraction = 2.3999900 Water: Moles liquid = 0.5205E+02 kg liquid = 0.9376E+00 Moles total = 0.5181E+02 kg total = 0.9334E+00 Activity = 0.9964 Stoichiometric ionic strength = .1239059E+00 Osmotic coef. = 0.9003 True ionic strength = .2298433E-01 Chg. balance for total moles = -.5508E-08 Max. difference allowed = 0.1430E-05 Log Log Log Species(n) Molality Molality Activity Activity Gamma Gamma 1 H+ 0.52019E-04 -4.2838 0.43178E-04 -4.3647 0.83005E+00 -0.0809 2 H2O 0.99640E+00 -0.0016 0.99640E+00 -0.0016 3 Cl- 0.15176E-01 -1.8188 0.12513E-01 -1.9026 0.82449E+00 -0.0838 4 SO4-- 0.14929E-02 -2.8260 0.74466E-03 -3.1280 0.49880E+00 -0.3021 5 HCO3- 0.23138E-02 -2.6357 0.19109E-02 -2.7188 0.82584E+00 -0.0831 6 HS- 0.15696E-03 -3.8042 0.12943E-03 -3.8880 0.82463E+00 -0.0837 7 Al+++ 0.21908E-11 -11.6594 0.46357E-12 -12.3339 0.21159E+00 -0.6745 8 H4SiO4 0.10173E-02 -2.9926 0.10173E-02 -2.9926 0.10000E+01 0.0000 9 Ca++ 0.19062E-06 -6.7198 0.94303E-07 -7.0255 0.49472E+00 -0.3056 10 Mg++ 0.84018E-10 -10.0756 0.41353E-10 -10.3835 0.49219E+00 -0.3079 11 Fe++ 0.54446E-12 -12.2640 0.26831E-12 -12.5714 0.49280E+00 -0.3073 12 K+ 0.14888E-03 -3.8272 0.12298E-03 -3.9102 0.82605E+00 -0.0830 13 Na+ 0.21290E-01 -1.6718 0.17549E-01 -1.7557 0.82432E+00 -0.0839 14 Mn++ 0.20726E-08 -8.6835 0.10223E-08 -8.9904 0.49325E+00 -0.3069 15 F- 0.81729E-03 -3.0876 0.67231E-03 -3.1724 0.82261E+00 -0.0848 16 HPO4-- 0.90934E-10 -10.0413 0.45365E-10 -10.3433 0.49888E+00 -0.3020 17 SiF6-2 0.21145E-14 -14.6748 0.10522E-14 -14.9779 0.49762E+00 -0.3031 18 HSiO3- 0.26778E-07 -7.5722 0.22078E-07 -7.6560 0.82449E+00 -0.0838 19 Ca(HSiO3)+ 0.57387E-13 -13.2412 0.47416E-13 -13.3241 0.82625E+00 -0.0829 20 Mg(HSiO3)+ 0.31318E-16 -16.5042 0.25877E-16 -16.5871 0.82625E+00 -0.0829 21 NaHSiO3,aq 0.62666E-08 -8.2030 0.62666E-08 -8.2030 0.10000E+01 0.0000 22 AlO+ 0.40793E-10 -10.3894 0.33705E-10 -10.4723 0.82625E+00 -0.0829 23 AlOH+2 0.14676E-10 -10.8334 0.72466E-11 -11.1399 0.49379E+00 -0.3065 24 HAlO2,aq 0.15490E-09 -9.8100 0.15490E-09 -9.8100 0.10000E+01 0.0000 25 AlO2- 0.96508E-11 -11.0154 0.79410E-11 -11.1001 0.82284E+00 -0.0847 26 CH4,aq 0.33205E-09 -9.4788 0.32146E-09 -9.4929 0.96810E+00 -0.0141 31 CO,aq 0.13491E-10 -10.8700 0.13491E-10 -10.8700 0.10000E+01 0.0000 32 CO2,aq 0.18277E+00 -0.7381 0.17694E+00 -0.7522 0.96810E+00 -0.0141 33 CO3-2 0.77680E-08 -8.1097 0.38655E-08 -8.4128 0.49762E+00 -0.3031 34 CaCO3,aq 0.45708E-11 -11.3400 0.45708E-11 -11.3400 0.10000E+01 0.0000 35 Ca(HCO3)+ 0.55671E-08 -8.2544 0.45998E-08 -8.3373 0.82625E+00 -0.0829 36 CaCl+ 0.23112E-08 -8.6362 0.19096E-08 -8.7191 0.82625E+00 -0.0829 37 CaCl2,aq 0.56768E-11 -11.2459 0.56768E-11 -11.2459 0.10000E+01 0.0000 38 CaF+ 0.11203E-08 -8.9507 0.92566E-09 -9.0335 0.82625E+00 -0.0829 39 CaOH+ 0.18771E-12 -12.7265 0.15510E-12 -12.8094 0.82625E+00 -0.0829 40 CaSO4,aq 0.22299E-07 -7.6517 0.22299E-07 -7.6517 0.10000E+01 0.0000 41 HCl,aq 0.99004E-07 -7.0043 0.99004E-07 -7.0043 0.10000E+01 0.0000 45 HF,aq 0.19872E-03 -3.7017 0.19872E-03 -3.7017 0.10000E+01 0.0000 46 HF2- 0.54710E-07 -7.2619 0.45108E-07 -7.3457 0.82449E+00 -0.0838 48 FeCl+ 0.64315E-14 -14.1917 0.53140E-14 -14.2746 0.82625E+00 -0.0829 51 FeF+ 0.11156E-13 -13.9525 0.92180E-14 -14.0354 0.82625E+00 -0.0829 54 FeOH+ 0.24393E-15 -15.6127 0.20154E-15 -15.6956 0.82625E+00 -0.0829 56 FeO+ 0.10580E-19 -19.9755 0.87415E-20 -20.0584 0.82625E+00 -0.0829 60 H2,aq 0.31239E-08 -8.5053 0.30243E-08 -8.5194 0.96810E+00 -0.0141 61 KCl,aq 0.27890E-07 -7.5546 0.27890E-07 -7.5546 0.10000E+01 0.0000 62 KHSO4,aq 0.11180E-10 -10.9516 0.11180E-10 -10.9516 0.10000E+01 0.0000 63 KOH,aq 0.12120E-11 -11.9165 0.12120E-11 -11.9165 0.10000E+01 0.0000 64 KSO4- 0.17236E-05 -5.7636 0.14211E-05 -5.8474 0.82449E+00 -0.0838 65 MgCO3,aq 0.50241E-15 -15.2989 0.50241E-15 -15.2989 0.10000E+01 0.0000 66 Mg(HCO3)+ 0.24945E-11 -11.6030 0.20611E-11 -11.6859 0.82625E+00 -0.0829 67 MgCl+ 0.91856E-12 -12.0369 0.75896E-12 -12.1198 0.82625E+00 -0.0829 68 MgF+ 0.18198E-11 -11.7400 0.15036E-11 -11.8229 0.82625E+00 -0.0829 69 MgOH+ 0.45548E-15 -15.3415 0.37634E-15 -15.4244 0.82625E+00 -0.0829 71 MnF+ 0.14011E-10 -10.8535 0.11577E-10 -10.9364 0.82625E+00 -0.0829 72 MnO,aq 0.56582E-18 -18.2473 0.56582E-18 -18.2473 0.10000E+01 0.0000 73 MnOH+ 0.86338E-13 -13.0638 0.71337E-13 -13.1467 0.82625E+00 -0.0829 78 MnCl+ 0.95336E-10 -10.0207 0.78771E-10 -10.1036 0.82625E+00 -0.0829 79 MnSO4,aq 0.21977E-09 -9.6580 0.21977E-09 -9.6580 0.10000E+01 0.0000 80 NaCl,aq 0.72774E-04 -4.1380 0.72774E-04 -4.1380 0.10000E+01 0.0000 81 NaF,aq 0.27623E-05 -5.5587 0.27623E-05 -5.5587 0.10000E+01 0.0000 82 NaOH,aq 0.17400E-09 -9.7595 0.17400E-09 -9.7595 0.10000E+01 0.0000 84 OH- 0.16204E-07 -7.7904 0.13333E-07 -7.8751 0.82284E+00 -0.0847 91 H2PO3- 0.45062E-19 -19.3462 0.37153E-19 -19.4300 0.82449E+00 -0.0838 92 H3PO4,aq 0.59152E-09 -9.2280 0.59152E-09 -9.2280 0.10000E+01 0.0000 93 H2PO4- 0.43780E-07 -7.3587 0.36134E-07 -7.4421 0.82536E+00 -0.0834 94 PO4-3 0.38358E-17 -17.4161 0.85722E-18 -18.0669 0.22348E+00 -0.6508 96 H3P2O7- 0.16604E-17 -17.7798 0.13690E-17 -17.8636 0.82449E+00 -0.0838 97 H2P2O7-2 0.20648E-15 -15.6851 0.10275E-15 -15.9882 0.49762E+00 -0.3031 98 HP2O7-3 0.22430E-17 -17.6492 0.47516E-18 -18.3232 0.21184E+00 -0.6740 100 H2S,aq 0.17841E-01 -1.7486 0.17272E-01 -1.7627 0.96810E+00 -0.0141 101 S2-2 0.24665E-09 -9.6079 0.12274E-09 -9.9110 0.49762E+00 -0.3031 102 S3-2 0.18978E-08 -8.7217 0.94440E-09 -9.0248 0.49762E+00 -0.3031 103 S3- 0.60284E-06 -6.2198 0.49704E-06 -6.3036 0.82449E+00 -0.0838 104 S4-2 0.96462E-08 -8.0156 0.48001E-08 -8.3187 0.49762E+00 -0.3031 105 S5-2 0.32693E-07 -7.4855 0.16269E-07 -7.7886 0.49762E+00 -0.3031 106 SO2,aq 0.18887E-10 -10.7238 0.18887E-10 -10.7238 0.10000E+01 0.0000 107 SO3-2 0.58087E-12 -12.2359 0.29371E-12 -12.5321 0.50564E+00 -0.2962 108 HSO3- 0.96307E-09 -9.0163 0.79404E-09 -9.1002 0.82449E+00 -0.0838 109 HSO4- 0.37462E-04 -4.4264 0.30986E-04 -4.5088 0.82715E+00 -0.0824 111 S2O3-2 0.30471E-06 -6.5161 0.15163E-06 -6.8192 0.49762E+00 -0.3031 112 HS2O3- 0.14198E-08 -8.8478 0.11706E-08 -8.9316 0.82449E+00 -0.0838 113 H2S2O3,aq 0.81032E-12 -12.0913 0.81032E-12 -12.0913 0.10000E+01 0.0000 121 S4O6-2 0.60445E-14 -14.2186 0.30079E-14 -14.5217 0.49762E+00 -0.3031 Charge balance for all species = -.5874E-08 Component Molality Aq.molality ppm log[A(N)/A(H+)**Z] (total) 1 H+ 0.5201867E-04 0.2008972E+00 0.2004680E+03 0.0000 2 H2O 0.1000000E+01 0.5532548E+02 0.9867410E+06 0.0000 3 Cl- 0.1517633E-01 0.1524923E-01 0.5352262E+03 2.4621 4 SO4-- 0.1492905E-02 0.1532836E-02 0.1457746E+03 5.6014 5 HCO3- 0.2313850E-02 0.1850795E+00 0.1118014E+05 1.6460 6 HS- 0.1569556E-03 0.1799999E-01 0.5893445E+03 0.4768 7 Al+++ 0.2190839E-11 0.2222079E-09 0.5935564E-05 0.7603 8 H4SiO4 0.1017259E-02 0.1017292E-02 0.9679996E+02 -2.9926 9 Ca++ 0.1906213E-06 0.2219298E-06 0.8805582E-02 1.7040 10 Mg++ 0.8401786E-10 0.8925173E-10 0.2148195E-05 -1.6540 11 Fe++ 0.5444617E-12 0.5622936E-12 0.3108848E-07 -3.8419 12 K+ 0.1488756E-03 0.1506271E-03 0.5830939E+01 0.4546 13 Na+ 0.2128959E-01 0.2136513E-01 0.4862696E+03 2.6090 14 Mn++ 0.2072582E-08 0.2401787E-08 0.1306303E-03 -0.2609 15 F- 0.8172926E-03 0.1018890E-02 0.1916335E+02 1.1923 16 HPO4-- 0.9093422E-10 0.4446220E-07 0.4224776E-02 -1.6138 Component Tot moles Aq. moles Solid moles Gas moles 1 H+ 0.2383924E+00 0.1883631E+00 0.5002925E-01 0.0000000E+00 2 H2O 0.5181128E+02 0.5187371E+02 -.6242468E-01 0.0000000E+00 3 Cl- 0.1429783E-01 0.1429783E-01 0.0000000E+00 0.0000000E+00 4 SO4-- 0.1144497E-01 0.1437202E-02 0.1000777E-01 0.0000000E+00 5 HCO3- 0.1735323E+00 0.1735323E+00 0.0000000E+00 0.0000000E+00 6 HS- 0.4690029E-01 0.1687696E-01 0.3002333E-01 0.0000000E+00 7 Al+++ 0.4775352E-05 0.2083442E-09 0.4775144E-05 0.0000000E+00 8 H4SiO4 0.1215302E-01 0.9538231E-03 0.1119920E-01 0.0000000E+00 9 Ca++ 0.2080835E-06 0.2080835E-06 0.0000000E+00 0.0000000E+00 10 Mg++ 0.8368328E-10 0.8368328E-10 0.0000000E+00 0.0000000E+00 11 Fe++ 0.3259227E-07 0.5272119E-12 0.3259174E-07 0.0000000E+00 12 K+ 0.1412294E-03 0.1412294E-03 0.0000000E+00 0.0000000E+00 13 Na+ 0.2003215E-01 0.2003215E-01 0.0000000E+00 0.0000000E+00 14 Mn++ 0.2251939E-08 0.2251939E-08 0.0000000E+00 0.0000000E+00 15 F- 0.9600960E-03 0.9553209E-03 0.4775144E-05 0.0000000E+00 16 HPO4-- 0.4168819E-07 0.4168819E-07 0.0000000E+00 0.0000000E+00 Chg. balance for solid moles: -.6451E-17 Mass of aqueous solution: 0.947078E+03 g Temperature = 100.00 C Pressure = 50.00 bar Mixer frac. = 2.3999900 Log Log Vol Gas or mineral Moles Moles Grams Grams Wt.% (cm3) pyrite 0.3259E-07 -7.487 0.3910E-05 -5.408 0.1999E-03 0.7802E-06 quartz 0.1120E-01 -1.951 0.6727 -0.172 34.38 0.2540 sulfur 0.4003E-01 -1.398 1.283 0.108 65.60 0.6209 topaz 0.2388E-05 -5.622 0.4394E-03 -3.357 0.2246E-01 0.1230E-03 Partial press. Fugacity coef Log fugacity Gas or Mineral Mole fraction or activity Activity coef Log activity pyrite 0.1000E+01 0.1000E+01 1.0000 0.000 quartz 0.1000E+01 0.1000E+01 1.0000 0.000 sulfur 0.1000E+01 0.1000E+01 1.0000 0.000 topaz 0.1000E+01 0.1000E+01 1.0000 0.000 Solid products produced: Mass = 1.956542 g Volume = 0.875064 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. Reactant consumed: 2.3999900 moles log = 0.3802 Original solution: 1000.0103000 g Original solution / Rock added: 416.67 (Water/Rock Ratio), log = 2.6198 Gas composition at saturation ( 3 iterations) ------------------------------------------------- Temperature: 100.0000 deg.C Sat. pressure: 21.7822 bar Gas Mole fraction phi Fugacity Partial P(bar) H2O,gas 0.5195E-01 0.8858 0.1002E+01 0.1132E+01 CO2,gas 0.9244E+00 0.9402 0.1893E+02 0.2013E+02 CH4,gas 0.2136E-07 1.0172 0.4732E-06 0.4652E-06 H2,gas 0.1802E-06 1.0117 0.3971E-05 0.3925E-05 H2S,gas 0.2369E-01 0.9200 0.4748E+00 0.5161E+00 S2,gas 0.2464E-10 1.0000 0.5368E-09 0.5368E-09 CO,gas 0.9230E-09 1.0000 0.2010E-07 0.2010E-07 SO3,gas 0.2419E-28 1.0000 0.5268E-27 0.5268E-27 SO2,gas 0.3750E-11 1.0000 0.8167E-10 0.8167E-10 HF,gas 0.2240E-07 1.0000 0.4879E-06 0.4879E-06 HCl,gas 0.8020E-11 1.0000 0.1747E-09 0.1747E-09 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 145 pyrite -21.25 -21.25 0.00 0.000 -0.60662E-11 150 quartz -2.99 -2.99 0.00 0.000 0.00000E+00 172 sulfur -9.15 -9.15 0.00 0.000 0.00000E+00 214 topaz -16.55 -16.55 0.00 0.000 0.60662E-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 1.70 0.00 -1.70 -1.698 0.28992E+04 0.001 2 CO2,gas -6.66 -7.08 -0.42 -0.141 0.72024E+03 1.277 3 CH4,gas 4.54 -3.48 -8.02 -2.006 0.13701E+05 -6.325 4 H2,gas 8.00 0.90 -7.10 -4.057 0.12123E+05 -5.401 5 H2S,gas -6.23 -8.25 -2.02 -1.011 0.34533E+04 -0.323 6 S2,gas -7.34 -18.30 -10.97 -1.688 0.18730E+05 -9.270 7 CO,gas 3.21 -6.18 -9.40 -2.891 0.16043E+05 -7.697 8 SO3,gas 17.12 -11.86 -28.98 -7.244 0.49478E+05 -27.278 9 SO2,gas 0.83 -10.95 -11.79 -3.143 0.20126E+05 -10.088 10 HF,gas 0.47 -7.54 -8.01 -4.005 0.13678E+05 -6.312 11 HCl,gas 5.19 -6.27 -11.46 -5.728 0.19562E+05 -9.758 25 anhydrite -5.32 -10.15 -4.84 -2.418 0.82586E+04 57 coesite -2.38 -2.99 -0.61 -0.204 0.10473E+04 64 cristobalite -2.56 -2.99 -0.43 -0.143 0.73267E+03 68 diaspore 2.87 0.76 -2.12 -0.353 0.36139E+04 69 diamond -3.10 -5.28 -2.18 -0.622 0.37174E+04 86 gibbsite 4.08 0.76 -3.32 -0.475 0.56751E+04 89 graphite -3.55 -5.28 -1.73 -0.495 0.29597E+04 101 kaolinite -1.33 -4.47 -3.13 -0.285 0.53500E+04 149 pyrophyllite -6.18 -10.44 -4.27 -0.267 0.72867E+04 181 tridymite -2.63 -2.99 -0.36 -0.121 0.61998E+03 202 chalcedony -2.80 -2.99 -0.19 -0.062 0.31930E+03 237 boehmite 4.41 0.76 -3.65 -0.608 0.62308E+04 240 fluorite -9.93 -13.37 -3.44 -1.147 0.58730E+04 245 silica-amorphous -2.09 -2.99 -0.90 -0.299 0.15335E+04 Calculations done for 100.0000 Deg. C; 50.0000 bar Next reactant titration increment of: 0.1000000 MOLES Current total amount of reactant added: 2.3999900 MOLES New total amount of reactant added: 2.4999900 MOLES Solids and gases carried Charge balance check after fractionation or titration: TBAL = -.5508E-08 ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ Magmatic gas scrubbing preliminary calculation. React meteoric water with andesite, Getahun et al. 1996 J. Volc. Geotherm. Res. 71(73-107). Table 1 page 82 sample MAF-1 ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ Number of loops used = 14 Loop limit = 400 Temperature = 100.00 C Pressure = 50.00 bar Mixer fraction = 2.4999900 Water: Moles liquid = 0.5214E+02 kg liquid = 0.9393E+00 Moles total = 0.5189E+02 kg total = 0.9349E+00 Activity = 0.9963 Stoichiometric ionic strength = .1273306E+00 Osmotic coef. = 0.9031 True ionic strength = .2270763E-01 Chg. balance for total moles = -.5508E-08 Max. difference allowed = 0.1489E-05 Log Log Log Species(n) Molality Molality Activity Activity Gamma Gamma 1 H+ 0.57645E-04 -4.2392 0.47879E-04 -4.3199 0.83058E+00 -0.0806 2 H2O 0.99627E+00 -0.0016 0.99627E+00 -0.0016 3 Cl- 0.15775E-01 -1.8020 0.13015E-01 -1.8855 0.82507E+00 -0.0835 4 SO4-- 0.12512E-02 -2.9027 0.62608E-03 -3.2034 0.50038E+00 -0.3007 5 HCO3- 0.21691E-02 -2.6637 0.17925E-02 -2.7465 0.82641E+00 -0.0828 6 HS- 0.13986E-03 -3.8543 0.11542E-03 -3.9377 0.82521E+00 -0.0834 7 Al+++ 0.26245E-11 -11.5810 0.55946E-12 -12.2522 0.21317E+00 -0.6713 8 H4SiO4 0.10170E-02 -2.9927 0.10170E-02 -2.9927 0.10000E+01 0.0000 9 Ca++ 0.19351E-06 -6.7133 0.96042E-07 -7.0175 0.49632E+00 -0.3042 10 Mg++ 0.83935E-10 -10.0761 0.41448E-10 -10.3825 0.49381E+00 -0.3064 11 Fe++ 0.67484E-12 -12.1708 0.33365E-12 -12.4767 0.49441E+00 -0.3059 12 K+ 0.14888E-03 -3.8272 0.12307E-03 -3.9098 0.82662E+00 -0.0827 13 Na+ 0.21249E-01 -1.6727 0.17528E-01 -1.7563 0.82490E+00 -0.0836 14 Mn++ 0.20951E-08 -8.6788 0.10368E-08 -8.9843 0.49486E+00 -0.3055 15 F- 0.83220E-03 -3.0798 0.68507E-03 -3.1643 0.82320E+00 -0.0845 16 HPO4-- 0.81558E-10 -10.0885 0.40816E-10 -10.3892 0.50045E+00 -0.3006 17 SiF6-2 0.35682E-14 -14.4476 0.17813E-14 -14.7493 0.49920E+00 -0.3017 18 HSiO3- 0.24128E-07 -7.6175 0.19908E-07 -7.7010 0.82507E+00 -0.0835 19 Ca(HSiO3)+ 0.52664E-13 -13.2785 0.43543E-13 -13.3611 0.82682E+00 -0.0826 20 Mg(HSiO3)+ 0.28285E-16 -16.5484 0.23386E-16 -16.6310 0.82682E+00 -0.0826 21 NaHSiO3,aq 0.56438E-08 -8.2484 0.56438E-08 -8.2484 0.10000E+01 0.0000 22 AlO+ 0.40006E-10 -10.3979 0.33078E-10 -10.4805 0.82682E+00 -0.0826 23 AlOH+2 0.15919E-10 -10.7981 0.78860E-11 -11.1031 0.49539E+00 -0.3050 24 HAlO2,aq 0.13707E-09 -9.8631 0.13707E-09 -9.8631 0.10000E+01 0.0000 25 AlO2- 0.76960E-11 -11.1137 0.63371E-11 -11.1981 0.82343E+00 -0.0844 26 CH4,aq 0.33057E-09 -9.4807 0.31979E-09 -9.4951 0.96738E+00 -0.0144 31 CO,aq 0.13880E-10 -10.8576 0.13880E-10 -10.8576 0.10000E+01 0.0000 32 CO2,aq 0.19028E+00 -0.7206 0.18407E+00 -0.7350 0.96738E+00 -0.0144 33 CO3-2 0.65507E-08 -8.1837 0.32701E-08 -8.4854 0.49920E+00 -0.3017 34 CaCO3,aq 0.39381E-11 -11.4047 0.39381E-11 -11.4047 0.10000E+01 0.0000 35 Ca(HCO3)+ 0.53150E-08 -8.2745 0.43945E-08 -8.3571 0.82682E+00 -0.0826 36 CaCl+ 0.24466E-08 -8.6114 0.20229E-08 -8.6940 0.82682E+00 -0.0826 37 CaCl2,aq 0.62552E-11 -11.2038 0.62552E-11 -11.2038 0.10000E+01 0.0000 38 CaF+ 0.11618E-08 -8.9349 0.96062E-09 -9.0174 0.82682E+00 -0.0826 39 CaOH+ 0.17226E-12 -12.7638 0.14243E-12 -12.8464 0.82682E+00 -0.0826 40 CaSO4,aq 0.19094E-07 -7.7191 0.19094E-07 -7.7191 0.10000E+01 0.0000 41 HCl,aq 0.11419E-06 -6.9424 0.11419E-06 -6.9424 0.10000E+01 0.0000 45 HF,aq 0.22454E-03 -3.6487 0.22454E-03 -3.6487 0.10000E+01 0.0000 46 HF2- 0.62947E-07 -7.2010 0.51936E-07 -7.2845 0.82507E+00 -0.0835 48 FeCl+ 0.83132E-14 -14.0802 0.68735E-14 -14.1628 0.82682E+00 -0.0826 51 FeF+ 0.14127E-13 -13.8500 0.11680E-13 -13.9325 0.82682E+00 -0.0826 54 FeOH+ 0.27332E-15 -15.5633 0.22599E-15 -15.6459 0.82682E+00 -0.0826 56 FeO+ 0.11922E-19 -19.9237 0.98569E-20 -20.0063 0.82682E+00 -0.0826 60 H2,aq 0.30912E-08 -8.5099 0.29904E-08 -8.5243 0.96738E+00 -0.0144 61 KCl,aq 0.29031E-07 -7.5371 0.29031E-07 -7.5371 0.10000E+01 0.0000 62 KHSO4,aq 0.10431E-10 -10.9817 0.10431E-10 -10.9817 0.10000E+01 0.0000 63 KOH,aq 0.10936E-11 -11.9611 0.10936E-11 -11.9611 0.10000E+01 0.0000 64 KSO4- 0.14492E-05 -5.8389 0.11957E-05 -5.9224 0.82507E+00 -0.0835 65 MgCO3,aq 0.42600E-15 -15.3706 0.42600E-15 -15.3706 0.10000E+01 0.0000 66 Mg(HCO3)+ 0.23438E-11 -11.6301 0.19379E-11 -11.7127 0.82682E+00 -0.0826 67 MgCl+ 0.95699E-12 -12.0191 0.79125E-12 -12.1017 0.82682E+00 -0.0826 68 MgF+ 0.18573E-11 -11.7311 0.15357E-11 -11.8137 0.82682E+00 -0.0826 69 MgOH+ 0.41137E-15 -15.3858 0.34013E-15 -15.4684 0.82682E+00 -0.0826 71 MnF+ 0.14469E-10 -10.8396 0.11963E-10 -10.9221 0.82682E+00 -0.0826 72 MnO,aq 0.46662E-18 -18.3310 0.46662E-18 -18.3310 0.10000E+01 0.0000 73 MnOH+ 0.78900E-13 -13.1029 0.65236E-13 -13.1855 0.82682E+00 -0.0826 78 MnCl+ 0.10050E-09 -9.9978 0.83096E-10 -10.0804 0.82682E+00 -0.0826 79 MnSO4,aq 0.18739E-09 -9.7272 0.18739E-09 -9.7272 0.10000E+01 0.0000 80 NaCl,aq 0.75605E-04 -4.1214 0.75605E-04 -4.1214 0.10000E+01 0.0000 81 NaF,aq 0.28113E-05 -5.5511 0.28113E-05 -5.5511 0.10000E+01 0.0000 82 NaOH,aq 0.15671E-09 -9.8049 0.15671E-09 -9.8049 0.10000E+01 0.0000 84 OH- 0.14600E-07 -7.8356 0.12022E-07 -7.9200 0.82343E+00 -0.0844 91 H2PO3- 0.44429E-19 -19.3523 0.36657E-19 -19.4358 0.82507E+00 -0.0835 92 H3PO4,aq 0.65440E-09 -9.1842 0.65440E-09 -9.1842 0.10000E+01 0.0000 93 H2PO4- 0.43648E-07 -7.3600 0.36050E-07 -7.4431 0.82594E+00 -0.0831 94 PO4-3 0.30909E-17 -17.5099 0.69554E-18 -18.1577 0.22503E+00 -0.6478 96 H3P2O7- 0.18316E-17 -17.7372 0.15112E-17 -17.8207 0.82507E+00 -0.0835 97 H2P2O7-2 0.20490E-15 -15.6885 0.10229E-15 -15.9902 0.49920E+00 -0.3017 98 HP2O7-3 0.19988E-17 -17.6992 0.42658E-18 -18.3700 0.21341E+00 -0.6708 100 H2S,aq 0.17655E-01 -1.7531 0.17079E-01 -1.7675 0.96738E+00 -0.0144 101 S2-2 0.19772E-09 -9.7039 0.98703E-10 -10.0057 0.49920E+00 -0.3017 102 S3-2 0.15213E-08 -8.8178 0.75946E-09 -9.1195 0.49920E+00 -0.3017 103 S3- 0.54022E-06 -6.2674 0.44572E-06 -6.3509 0.82507E+00 -0.0835 104 S4-2 0.77326E-08 -8.1117 0.38601E-08 -8.4134 0.49920E+00 -0.3017 105 S5-2 0.26207E-07 -7.5816 0.13083E-07 -7.8833 0.49920E+00 -0.3017 106 SO2,aq 0.19311E-10 -10.7142 0.19311E-10 -10.7142 0.10000E+01 0.0000 107 SO3-2 0.48151E-12 -12.3174 0.24421E-12 -12.6122 0.50717E+00 -0.2948 108 HSO3- 0.88731E-09 -9.0519 0.73209E-09 -9.1354 0.82507E+00 -0.0835 109 HSO4- 0.34902E-04 -4.4572 0.28889E-04 -4.5393 0.82771E+00 -0.0821 111 S2O3-2 0.25255E-06 -6.5976 0.12608E-06 -6.8994 0.49920E+00 -0.3017 112 HS2O3- 0.13081E-08 -8.8833 0.10793E-08 -8.9669 0.82507E+00 -0.0835 113 H2S2O3,aq 0.82844E-12 -12.0817 0.82844E-12 -12.0817 0.10000E+01 0.0000 121 S4O6-2 0.51798E-14 -14.2857 0.25858E-14 -14.5874 0.49920E+00 -0.3017 Charge balance for all species = -.5864E-08 Component Molality Aq.molality ppm log[A(N)/A(H+)**Z] (total) 1 H+ 0.5764510E-04 0.2082548E+00 0.2077455E+03 0.0000 2 H2O 0.1000000E+01 0.5531797E+02 0.9863016E+06 0.0000 3 Cl- 0.1577471E-01 0.1585046E-01 0.5561562E+03 2.4343 4 SO4-- 0.1251224E-02 0.1288218E-02 0.1224733E+03 5.4363 5 HCO3- 0.2169078E-02 0.1924503E+00 0.1162178E+05 1.5733 6 HS- 0.1398626E-03 0.1779610E-01 0.5824885E+03 0.3821 7 Al+++ 0.2624515E-11 0.2033149E-09 0.5429219E-05 0.7073 8 H4SiO4 0.1016992E-02 0.1017021E-02 0.9674424E+02 -2.9927 9 Ca++ 0.1935099E-06 0.2215380E-06 0.8787316E-02 1.6222 10 Mg++ 0.8393516E-10 0.8909415E-10 0.2143739E-05 -1.7428 11 Fe++ 0.6748390E-12 0.6975524E-12 0.3855482E-07 -3.8370 12 K+ 0.1488830E-03 0.1503611E-03 0.5818843E+01 0.4100 13 Na+ 0.2124899E-01 0.2132741E-01 0.4852609E+03 2.5636 14 Mn++ 0.2095104E-08 0.2397547E-08 0.1303593E-03 -0.3446 15 F- 0.8321974E-03 0.1059677E-02 0.1992432E+02 1.1556 16 HPO4-- 0.8155807E-10 0.4438371E-07 0.4216012E-02 -1.7495 Component Tot moles Aq. moles Solid moles Gas moles 1 H+ 0.2491599E+00 0.1956070E+00 0.5355284E-01 0.0000000E+00 2 H2O 0.5189315E+02 0.5195839E+02 -.6524069E-01 0.0000000E+00 3 Cl- 0.1488783E-01 0.1488783E-01 0.0000000E+00 0.0000000E+00 4 SO4-- 0.1192247E-01 0.1209982E-02 0.1071249E-01 0.0000000E+00 5 HCO3- 0.1807623E+00 0.1807623E+00 0.0000000E+00 0.0000000E+00 6 HS- 0.4885279E-01 0.1671531E-01 0.3213749E-01 0.0000000E+00 7 Al+++ 0.4775352E-05 0.1909672E-09 0.4775161E-05 0.0000000E+00 8 H4SiO4 0.1215302E-01 0.9552556E-03 0.1119776E-01 0.0000000E+00 9 Ca++ 0.2080835E-06 0.2080835E-06 0.0000000E+00 0.0000000E+00 10 Mg++ 0.8368328E-10 0.8368328E-10 0.0000000E+00 0.0000000E+00 11 Fe++ 0.3259227E-07 0.6551886E-12 0.3259161E-07 0.0000000E+00 12 K+ 0.1412294E-03 0.1412294E-03 0.0000000E+00 0.0000000E+00 13 Na+ 0.2003215E-01 0.2003215E-01 0.0000000E+00 0.0000000E+00 14 Mn++ 0.2251939E-08 0.2251939E-08 0.0000000E+00 0.0000000E+00 15 F- 0.1000096E-02 0.9953208E-03 0.4775161E-05 0.0000000E+00 16 HPO4-- 0.4168819E-07 0.4168819E-07 0.0000000E+00 0.0000000E+00 Chg. balance for solid moles: 0.0000E+00 Mass of aqueous solution: 0.949046E+03 g Temperature = 100.00 C Pressure = 50.00 bar Mixer frac. = 2.4999900 Log Log Vol Gas or mineral Moles Moles Grams Grams Wt.% (cm3) pyrite 0.3259E-07 -7.487 0.3910E-05 -5.408 0.1910E-03 0.7802E-06 quartz 0.1120E-01 -1.951 0.6726 -0.172 32.86 0.2540 sulfur 0.4285E-01 -1.368 1.374 0.138 67.12 0.6646 topaz 0.2388E-05 -5.622 0.4394E-03 -3.357 0.2147E-01 0.1230E-03 Partial press. Fugacity coef Log fugacity Gas or Mineral Mole fraction or activity Activity coef Log activity pyrite 0.1000E+01 0.1000E+01 1.0000 0.000 quartz 0.1000E+01 0.1000E+01 1.0000 0.000 sulfur 0.1000E+01 0.1000E+01 1.0000 0.000 topaz 0.1000E+01 0.1000E+01 1.0000 0.000 Solid products produced: Mass = 2.046830 g Volume = 0.918753 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. Reactant consumed: 2.4999900 moles log = 0.3979 Original solution: 1000.0103000 g Original solution / Rock added: 400.01 (Water/Rock Ratio), log = 2.6021 Gas composition at saturation ( 3 iterations) ------------------------------------------------- Temperature: 100.0000 deg.C Sat. pressure: 22.6465 bar Gas Mole fraction phi Fugacity Partial P(bar) H2O,gas 0.5019E-01 0.8817 0.1002E+01 0.1137E+01 CO2,gas 0.9272E+00 0.9379 0.1969E+02 0.2100E+02 CH4,gas 0.2042E-07 1.0178 0.4707E-06 0.4625E-06 H2,gas 0.1713E-06 1.0121 0.3926E-05 0.3879E-05 H2S,gas 0.2261E-01 0.9170 0.4695E+00 0.5120E+00 S2,gas 0.2370E-10 1.0000 0.5368E-09 0.5368E-09 CO,gas 0.9133E-09 1.0000 0.2068E-07 0.2068E-07 SO3,gas 0.2405E-28 1.0000 0.5447E-27 0.5447E-27 SO2,gas 0.3688E-11 1.0000 0.8351E-10 0.8351E-10 HF,gas 0.2434E-07 1.0000 0.5513E-06 0.5513E-06 HCl,gas 0.8897E-11 1.0000 0.2015E-09 0.2015E-09 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 145 pyrite -21.25 -21.25 0.00 0.000 -0.60662E-11 150 quartz -2.99 -2.99 0.00 0.000 0.00000E+00 172 sulfur -9.15 -9.15 0.00 0.000 0.30331E-11 214 topaz -16.55 -16.55 0.00 0.000 -0.60662E-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 1.70 0.00 -1.70 -1.698 0.28993E+04 0.001 2 CO2,gas -6.66 -7.06 -0.40 -0.135 0.69090E+03 1.294 3 CH4,gas 4.54 -3.48 -8.03 -2.007 0.13705E+05 -6.327 4 H2,gas 8.00 0.89 -7.11 -4.060 0.12132E+05 -5.406 5 H2S,gas -6.23 -8.26 -2.03 -1.014 0.34616E+04 -0.328 6 S2,gas -7.34 -18.30 -10.97 -1.688 0.18730E+05 -9.270 7 CO,gas 3.21 -6.17 -9.38 -2.887 0.16022E+05 -7.684 8 SO3,gas 17.12 -11.84 -28.96 -7.241 0.49453E+05 -27.264 9 SO2,gas 0.83 -10.95 -11.78 -3.141 0.20109E+05 -10.078 10 HF,gas 0.47 -7.48 -7.96 -3.979 0.13587E+05 -6.259 11 HCl,gas 5.19 -6.21 -11.39 -5.697 0.19456E+05 -9.696 25 anhydrite -5.32 -10.22 -4.90 -2.452 0.83736E+04 57 coesite -2.38 -2.99 -0.61 -0.204 0.10473E+04 64 cristobalite -2.56 -2.99 -0.43 -0.143 0.73267E+03 68 diaspore 2.87 0.70 -2.17 -0.362 0.37045E+04 69 diamond -3.10 -5.27 -2.17 -0.620 0.37046E+04 86 gibbsite 4.08 0.70 -3.38 -0.482 0.57659E+04 89 graphite -3.55 -5.27 -1.73 -0.493 0.29468E+04 101 kaolinite -1.33 -4.57 -3.24 -0.295 0.55314E+04 149 pyrophyllite -6.18 -10.55 -4.37 -0.273 0.74681E+04 181 tridymite -2.63 -2.99 -0.36 -0.121 0.61998E+03 202 chalcedony -2.80 -2.99 -0.19 -0.062 0.31930E+03 237 boehmite 4.41 0.70 -3.70 -0.617 0.63215E+04 240 fluorite -9.93 -13.35 -3.42 -1.138 0.58316E+04 245 silica-amorphous -2.09 -2.99 -0.90 -0.299 0.15335E+04 Calculations done for 100.0000 Deg. C; 50.0000 bar Next reactant titration increment of: 0.1000000 MOLES Current total amount of reactant added: 2.4999900 MOLES New total amount of reactant added: 2.5999900 MOLES Solids and gases carried Charge balance check after fractionation or titration: TBAL = -.5508E-08 ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ Magmatic gas scrubbing preliminary calculation. React meteoric water with andesite, Getahun et al. 1996 J. Volc. Geotherm. Res. 71(73-107). Table 1 page 82 sample MAF-1 ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ Number of loops used = 13 Loop limit = 400 Temperature = 100.00 C Pressure = 50.00 bar Mixer fraction = 2.5999900 Water: Moles liquid = 0.5223E+02 kg liquid = 0.9409E+00 Moles total = 0.5198E+02 kg total = 0.9363E+00 Activity = 0.9961 Stoichiometric ionic strength = .1307815E+00 Osmotic coef. = 0.9058 True ionic strength = .2244419E-01 Chg. balance for total moles = -.5508E-08 Max. difference allowed = 0.1548E-05 Log Log Log Species(n) Molality Molality Activity Activity Gamma Gamma 1 H+ 0.64570E-04 -4.1900 0.53663E-04 -4.2703 0.83109E+00 -0.0804 2 H2O 0.99614E+00 -0.0017 0.99614E+00 -0.0017 3 Cl- 0.16371E-01 -1.7859 0.13516E-01 -1.8691 0.82563E+00 -0.0832 4 SO4-- 0.10213E-02 -2.9908 0.51260E-03 -3.2902 0.50189E+00 -0.2994 5 HCO3- 0.20085E-02 -2.6971 0.16610E-02 -2.7796 0.82695E+00 -0.0825 6 HS- 0.12352E-03 -3.9083 0.10200E-03 -3.9914 0.82576E+00 -0.0831 7 Al+++ 0.32321E-11 -11.4905 0.69390E-12 -12.1587 0.21469E+00 -0.6682 8 H4SiO4 0.10167E-02 -2.9928 0.10167E-02 -2.9928 0.10000E+01 0.0000 9 Ca++ 0.19643E-06 -6.7068 0.97791E-07 -7.0097 0.49786E+00 -0.3029 10 Mg++ 0.83880E-10 -10.0763 0.41551E-10 -10.3814 0.49537E+00 -0.3051 11 Fe++ 0.85320E-12 -12.0690 0.42315E-12 -12.3735 0.49596E+00 -0.3046 12 K+ 0.14888E-03 -3.8272 0.12315E-03 -3.9096 0.82716E+00 -0.0824 13 Na+ 0.21209E-01 -1.6735 0.17507E-01 -1.7568 0.82546E+00 -0.0833 14 Mn++ 0.21171E-08 -8.6742 0.10510E-08 -8.9784 0.49641E+00 -0.3042 15 F- 0.84240E-03 -3.0745 0.69395E-03 -3.1587 0.82377E+00 -0.0842 16 HPO4-- 0.72353E-10 -10.1405 0.36319E-10 -10.4399 0.50197E+00 -0.2993 17 SiF6-2 0.60663E-14 -14.2171 0.30375E-14 -14.5175 0.50073E+00 -0.3004 18 HSiO3- 0.21510E-07 -7.6674 0.17760E-07 -7.7506 0.82563E+00 -0.0832 19 Ca(HSiO3)+ 0.47805E-13 -13.3205 0.39552E-13 -13.4028 0.82736E+00 -0.0823 20 Mg(HSiO3)+ 0.25279E-16 -16.5972 0.20915E-16 -16.6795 0.82736E+00 -0.0823 21 NaHSiO3,aq 0.50286E-08 -8.2986 0.50286E-08 -8.2986 0.10000E+01 0.0000 22 AlO+ 0.39468E-10 -10.4038 0.32654E-10 -10.4861 0.82736E+00 -0.0823 23 AlOH+2 0.17559E-10 -10.7555 0.87256E-11 -11.0592 0.49694E+00 -0.3037 24 HAlO2,aq 0.12071E-09 -9.9182 0.12071E-09 -9.9182 0.10000E+01 0.0000 25 AlO2- 0.60430E-11 -11.2187 0.49794E-11 -11.3028 0.82400E+00 -0.0841 26 CH4,aq 0.33083E-09 -9.4804 0.31980E-09 -9.4951 0.96667E+00 -0.0147 31 CO,aq 0.14281E-10 -10.8452 0.14281E-10 -10.8452 0.10000E+01 0.0000 32 CO2,aq 0.19779E+00 -0.7038 0.19119E+00 -0.7185 0.96667E+00 -0.0147 33 CO3-2 0.53992E-08 -8.2677 0.27035E-08 -8.5681 0.50073E+00 -0.3004 34 CaCO3,aq 0.33150E-11 -11.4795 0.33150E-11 -11.4795 0.10000E+01 0.0000 35 Ca(HCO3)+ 0.50113E-08 -8.3000 0.41461E-08 -8.3824 0.82736E+00 -0.0823 36 CaCl+ 0.25854E-08 -8.5875 0.21391E-08 -8.6698 0.82736E+00 -0.0823 37 CaCl2,aq 0.68689E-11 -11.1631 0.68689E-11 -11.1631 0.10000E+01 0.0000 38 CaF+ 0.11975E-08 -8.9217 0.99079E-09 -9.0040 0.82736E+00 -0.0823 39 CaOH+ 0.15637E-12 -12.8058 0.12937E-12 -12.8882 0.82736E+00 -0.0823 40 CaSO4,aq 0.15918E-07 -7.7981 0.15918E-07 -7.7981 0.10000E+01 0.0000 41 HCl,aq 0.13291E-06 -6.8764 0.13291E-06 -6.8764 0.10000E+01 0.0000 45 HF,aq 0.25493E-03 -3.5936 0.25493E-03 -3.5936 0.10000E+01 0.0000 46 HF2- 0.72343E-07 -7.1406 0.59728E-07 -7.2238 0.82563E+00 -0.0832 48 FeCl+ 0.10942E-13 -13.9609 0.90529E-14 -14.0432 0.82736E+00 -0.0823 51 FeF+ 0.18137E-13 -13.7414 0.15006E-13 -13.8237 0.82736E+00 -0.0823 54 FeOH+ 0.30904E-15 -15.5100 0.25568E-15 -15.5923 0.82736E+00 -0.0823 56 FeO+ 0.13544E-19 -19.8683 0.11206E-19 -19.9506 0.82736E+00 -0.0823 60 H2,aq 0.30641E-08 -8.5137 0.29620E-08 -8.5284 0.96667E+00 -0.0147 61 KCl,aq 0.30168E-07 -7.5205 0.30168E-07 -7.5205 0.10000E+01 0.0000 62 KHSO4,aq 0.95777E-11 -11.0187 0.95777E-11 -11.0187 0.10000E+01 0.0000 63 KOH,aq 0.97623E-12 -12.0104 0.97623E-12 -12.0104 0.10000E+01 0.0000 64 KSO4- 0.11864E-05 -5.9258 0.97955E-06 -6.0090 0.82563E+00 -0.0832 65 MgCO3,aq 0.35306E-15 -15.4521 0.35306E-15 -15.4521 0.10000E+01 0.0000 66 Mg(HCO3)+ 0.21757E-11 -11.6624 0.18001E-11 -11.7447 0.82736E+00 -0.0823 67 MgCl+ 0.99565E-12 -12.0019 0.82376E-12 -12.0842 0.82736E+00 -0.0823 68 MgF+ 0.18849E-11 -11.7247 0.15595E-11 -11.8070 0.82736E+00 -0.0823 69 MgOH+ 0.36765E-15 -15.4346 0.30418E-15 -15.5169 0.82736E+00 -0.0823 71 MnF+ 0.14848E-10 -10.8283 0.12284E-10 -10.9106 0.82736E+00 -0.0823 72 MnO,aq 0.37649E-18 -18.4242 0.37649E-18 -18.4242 0.10000E+01 0.0000 73 MnOH+ 0.71303E-13 -13.1469 0.58993E-13 -13.2292 0.82736E+00 -0.0823 78 MnCl+ 0.10573E-09 -9.9758 0.87475E-10 -10.0581 0.82736E+00 -0.0823 79 MnSO4,aq 0.15553E-09 -9.8082 0.15553E-09 -9.8082 0.10000E+01 0.0000 80 NaCl,aq 0.78419E-04 -4.1056 0.78419E-04 -4.1056 0.10000E+01 0.0000 81 NaF,aq 0.28443E-05 -5.5460 0.28443E-05 -5.5460 0.10000E+01 0.0000 82 NaOH,aq 0.13963E-09 -9.8550 0.13963E-09 -9.8550 0.10000E+01 0.0000 84 OH- 0.13016E-07 -7.8855 0.10725E-07 -7.9696 0.82400E+00 -0.0841 91 H2PO3- 0.43865E-19 -19.3579 0.36216E-19 -19.4411 0.82563E+00 -0.0832 92 H3PO4,aq 0.73149E-09 -9.1358 0.73149E-09 -9.1358 0.10000E+01 0.0000 93 H2PO4- 0.43502E-07 -7.3615 0.35953E-07 -7.4443 0.82648E+00 -0.0828 94 PO4-3 0.24377E-17 -17.6130 0.55219E-18 -18.2579 0.22652E+00 -0.6449 96 H3P2O7- 0.20407E-17 -17.6902 0.16849E-17 -17.7734 0.82563E+00 -0.0832 97 H2P2O7-2 0.20320E-15 -15.6921 0.10175E-15 -15.9925 0.50073E+00 -0.3004 98 HP2O7-3 0.17615E-17 -17.7541 0.37860E-18 -18.4218 0.21493E+00 -0.6677 100 H2S,aq 0.17500E-01 -1.7570 0.16916E-01 -1.7717 0.96667E+00 -0.0147 101 S2-2 0.15543E-09 -9.8085 0.77825E-10 -10.1089 0.50073E+00 -0.3004 102 S3-2 0.11959E-08 -8.9223 0.59882E-09 -9.2227 0.50073E+00 -0.3004 103 S3- 0.47938E-06 -6.3193 0.39579E-06 -6.4025 0.82563E+00 -0.0832 104 S4-2 0.60785E-08 -8.2162 0.30436E-08 -8.5166 0.50073E+00 -0.3004 105 S5-2 0.20601E-07 -7.6861 0.10315E-07 -7.9865 0.50073E+00 -0.3004 106 SO2,aq 0.19679E-10 -10.7060 0.19679E-10 -10.7060 0.10000E+01 0.0000 107 SO3-2 0.38941E-12 -12.4096 0.19807E-12 -12.7032 0.50864E+00 -0.2936 108 HSO3- 0.80607E-09 -9.0936 0.66551E-09 -9.1768 0.82563E+00 -0.0832 109 HSO4- 0.32007E-04 -4.4948 0.26510E-04 -4.5766 0.82824E+00 -0.0818 111 S2O3-2 0.20422E-06 -6.6899 0.10226E-06 -6.9903 0.50073E+00 -0.3004 112 HS2O3- 0.11884E-08 -8.9250 0.98115E-09 -9.0083 0.82563E+00 -0.0832 113 H2S2O3,aq 0.84407E-12 -12.0736 0.84407E-12 -12.0736 0.10000E+01 0.0000 121 S4O6-2 0.43084E-14 -14.3657 0.21573E-14 -14.6661 0.50073E+00 -0.3004 Charge balance for all species = -.5853E-08 Component Molality Aq.molality ppm log[A(N)/A(H+)**Z] (total) 1 H+ 0.6456963E-04 0.2156396E+00 0.2150456E+03 0.0000 2 H2O 0.1000000E+01 0.5531046E+02 0.9858619E+06 0.0000 3 Cl- 0.1637099E-01 0.1644957E-01 0.5769988E+03 2.4012 4 SO4-- 0.1021338E-02 0.1055078E-02 0.1002770E+03 5.2504 5 HCO3- 0.2008541E-02 0.1997951E+00 0.1206159E+05 1.4907 6 HS- 0.1235190E-03 0.1762478E-01 0.5767020E+03 0.2789 7 Al+++ 0.3232130E-11 0.1870170E-09 0.4992460E-05 0.6523 8 H4SiO4 0.1016723E-02 0.1016750E-02 0.9668841E+02 -2.9928 9 Ca++ 0.1964251E-06 0.2211476E-06 0.8769113E-02 1.5309 10 Mg++ 0.8388017E-10 0.8893718E-10 0.2139298E-05 -1.8408 11 Fe++ 0.8531959E-12 0.8825838E-12 0.4876667E-07 -3.8329 12 K+ 0.1488796E-03 0.1500962E-03 0.5806789E+01 0.3607 13 Na+ 0.2120856E-01 0.2128983E-01 0.4842557E+03 2.5135 14 Mn++ 0.2117149E-08 0.2393323E-08 0.1300893E-03 -0.4378 15 F- 0.8424017E-03 0.1100322E-02 0.2068211E+02 1.1117 16 HPO4-- 0.7235283E-10 0.4430551E-07 0.4207278E-02 -1.8992 Component Tot moles Aq. moles Solid moles Gas moles 1 H+ 0.2599274E+00 0.2029009E+00 0.5702650E-01 0.0000000E+00 2 H2O 0.5197502E+02 0.5204304E+02 -.6801676E-01 0.0000000E+00 3 Cl- 0.1547783E-01 0.1547783E-01 0.0000000E+00 0.0000000E+00 4 SO4-- 0.1239997E-01 0.9927496E-03 0.1140722E-01 0.0000000E+00 5 HCO3- 0.1879923E+00 0.1879923E+00 0.0000000E+00 0.0000000E+00 6 HS- 0.5080529E-01 0.1658361E-01 0.3422169E-01 0.0000000E+00 7 Al+++ 0.4775352E-05 0.1759691E-09 0.4775176E-05 0.0000000E+00 8 H4SiO4 0.1215302E-01 0.9566861E-03 0.1119633E-01 0.0000000E+00 9 Ca++ 0.2080835E-06 0.2080835E-06 0.0000000E+00 0.0000000E+00 10 Mg++ 0.8368328E-10 0.8368328E-10 0.0000000E+00 0.0000000E+00 11 Fe++ 0.3259227E-07 0.8304458E-12 0.3259144E-07 0.0000000E+00 12 K+ 0.1412294E-03 0.1412294E-03 0.0000000E+00 0.0000000E+00 13 Na+ 0.2003215E-01 0.2003215E-01 0.0000000E+00 0.0000000E+00 14 Mn++ 0.2251939E-08 0.2251939E-08 0.0000000E+00 0.0000000E+00 15 F- 0.1040096E-02 0.1035321E-02 0.4775176E-05 0.0000000E+00 16 HPO4-- 0.4168819E-07 0.4168819E-07 0.0000000E+00 0.0000000E+00 Chg. balance for solid moles: -.4667E-17 Mass of aqueous solution: 0.951016E+03 g Temperature = 100.00 C Pressure = 50.00 bar Mixer frac. = 2.5999900 Log Log Vol Gas or mineral Moles Moles Grams Grams Wt.% (cm3) pyrite 0.3259E-07 -7.487 0.3910E-05 -5.408 0.1831E-03 0.7802E-06 quartz 0.1119E-01 -1.951 0.6725 -0.172 31.49 0.2540 sulfur 0.4563E-01 -1.341 1.463 0.165 68.49 0.7077 topaz 0.2388E-05 -5.622 0.4394E-03 -3.357 0.2057E-01 0.1230E-03 Partial press. Fugacity coef Log fugacity Gas or Mineral Mole fraction or activity Activity coef Log activity pyrite 0.1000E+01 0.1000E+01 1.0000 0.000 quartz 0.1000E+01 0.1000E+01 1.0000 0.000 sulfur 0.1000E+01 0.1000E+01 1.0000 0.000 topaz 0.1000E+01 0.1000E+01 1.0000 0.000 Solid products produced: Mass = 2.135836 g Volume = 0.961823 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. Reactant consumed: 2.5999900 moles log = 0.4150 Original solution: 1000.0103000 g Original solution / Rock added: 384.62 (Water/Rock Ratio), log = 2.5850 Gas composition at saturation ( 3 iterations) ------------------------------------------------- Temperature: 100.0000 deg.C Sat. pressure: 23.5137 bar Gas Mole fraction phi Fugacity Partial P(bar) H2O,gas 0.4856E-01 0.8775 0.1002E+01 0.1142E+01 CO2,gas 0.9298E+00 0.9356 0.2046E+02 0.2186E+02 CH4,gas 0.1966E-07 1.0184 0.4707E-06 0.4622E-06 H2,gas 0.1633E-06 1.0126 0.3889E-05 0.3840E-05 H2S,gas 0.2164E-01 0.9140 0.4650E+00 0.5088E+00 S2,gas 0.2283E-10 1.0000 0.5368E-09 0.5368E-09 CO,gas 0.9051E-09 1.0000 0.2128E-07 0.2128E-07 SO3,gas 0.2383E-28 1.0000 0.5603E-27 0.5603E-27 SO2,gas 0.3619E-11 1.0000 0.8510E-10 0.8510E-10 HF,gas 0.2662E-07 1.0000 0.6259E-06 0.6259E-06 HCl,gas 0.9974E-11 1.0000 0.2345E-09 0.2345E-09 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 145 pyrite -21.25 -21.25 0.00 0.000 0.00000E+00 150 quartz -2.99 -2.99 0.00 0.000 0.00000E+00 172 sulfur -9.15 -9.15 0.00 0.000 0.00000E+00 214 topaz -16.55 -16.55 0.00 0.000 0.60662E-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 1.70 0.00 -1.70 -1.698 0.28994E+04 0.001 2 CO2,gas -6.66 -7.05 -0.39 -0.129 0.66277E+03 1.311 3 CH4,gas 4.54 -3.48 -8.03 -2.007 0.13705E+05 -6.327 4 H2,gas 8.00 0.89 -7.11 -4.062 0.12139E+05 -5.410 5 H2S,gas -6.23 -8.26 -2.03 -1.016 0.34687E+04 -0.333 6 S2,gas -7.34 -18.30 -10.97 -1.688 0.18730E+05 -9.270 7 CO,gas 3.21 -6.16 -9.37 -2.883 0.16001E+05 -7.672 8 SO3,gas 17.12 -11.83 -28.95 -7.238 0.49432E+05 -27.252 9 SO2,gas 0.83 -10.94 -11.77 -3.138 0.20095E+05 -10.070 10 HF,gas 0.47 -7.43 -7.90 -3.951 0.13493E+05 -6.203 11 HCl,gas 5.19 -6.14 -11.33 -5.664 0.19344E+05 -9.630 25 anhydrite -5.32 -10.30 -4.98 -2.492 0.85085E+04 57 coesite -2.38 -2.99 -0.61 -0.204 0.10473E+04 64 cristobalite -2.56 -2.99 -0.43 -0.143 0.73267E+03 68 diaspore 2.87 0.65 -2.22 -0.371 0.37988E+04 69 diamond -3.10 -5.26 -2.16 -0.618 0.36904E+04 86 gibbsite 4.08 0.65 -3.43 -0.490 0.58602E+04 89 graphite -3.55 -5.26 -1.72 -0.491 0.29327E+04 101 kaolinite -1.33 -4.68 -3.35 -0.305 0.57200E+04 149 pyrophyllite -6.18 -10.66 -4.48 -0.280 0.76565E+04 181 tridymite -2.63 -2.99 -0.36 -0.121 0.61998E+03 202 chalcedony -2.80 -2.99 -0.19 -0.062 0.31930E+03 237 boehmite 4.41 0.65 -3.76 -0.626 0.64157E+04 240 fluorite -9.93 -13.33 -3.40 -1.132 0.57991E+04 245 silica-amorphous -2.09 -2.99 -0.90 -0.299 0.15335E+04 Calculations done for 100.0000 Deg. C; 50.0000 bar Next reactant titration increment of: 0.1000000 MOLES Current total amount of reactant added: 2.5999900 MOLES New total amount of reactant added: 2.6999900 MOLES Solids and gases carried Charge balance check after fractionation or titration: TBAL = -.5508E-08 ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ Magmatic gas scrubbing preliminary calculation. React meteoric water with andesite, Getahun et al. 1996 J. Volc. Geotherm. Res. 71(73-107). Table 1 page 82 sample MAF-1 ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ Number of loops used = 13 Loop limit = 400 Temperature = 100.00 C Pressure = 50.00 bar Mixer fraction = 2.6999900 Water: Moles liquid = 0.5232E+02 kg liquid = 0.9426E+00 Moles total = 0.5206E+02 kg total = 0.9378E+00 Activity = 0.9960 Stoichiometric ionic strength = .1342655E+00 Osmotic coef. = 0.9084 True ionic strength = .2219651E-01 Chg. balance for total moles = -.5508E-08 Max. difference allowed = 0.1607E-05 Log Log Log Species(n) Molality Molality Activity Activity Gamma Gamma 1 H+ 0.73375E-04 -4.1345 0.61016E-04 -4.2146 0.83156E+00 -0.0801 2 H2O 0.99600E+00 -0.0017 0.99600E+00 -0.0017 3 Cl- 0.16965E-01 -1.7704 0.14016E-01 -1.8534 0.82615E+00 -0.0829 4 SO4-- 0.80515E-03 -3.0941 0.40525E-03 -3.3923 0.50333E+00 -0.2982 5 HCO3- 0.18307E-02 -2.7374 0.15148E-02 -2.8196 0.82746E+00 -0.0823 6 HS- 0.10776E-03 -3.9675 0.89039E-04 -4.0504 0.82628E+00 -0.0829 7 Al+++ 0.41289E-11 -11.3842 0.89242E-12 -12.0494 0.21614E+00 -0.6653 8 H4SiO4 0.10165E-02 -2.9929 0.10165E-02 -2.9929 0.10000E+01 0.0000 9 Ca++ 0.19934E-06 -6.7004 0.99533E-07 -7.0020 0.49931E+00 -0.3016 10 Mg++ 0.83858E-10 -10.0765 0.41664E-10 -10.3802 0.49684E+00 -0.3038 11 Fe++ 0.11080E-11 -11.9555 0.55115E-12 -12.2587 0.49743E+00 -0.3033 12 K+ 0.14886E-03 -3.8272 0.12321E-03 -3.9094 0.82767E+00 -0.0821 13 Na+ 0.21168E-01 -1.6743 0.17485E-01 -1.7573 0.82598E+00 -0.0830 14 Mn++ 0.21384E-08 -8.6699 0.10647E-08 -8.9728 0.49788E+00 -0.3029 15 F- 0.84638E-03 -3.0724 0.69768E-03 -3.1563 0.82431E+00 -0.0839 16 HPO4-- 0.63249E-10 -10.1989 0.31840E-10 -10.4970 0.50340E+00 -0.2981 17 SiF6-2 0.10443E-13 -13.9812 0.52442E-14 -14.2803 0.50217E+00 -0.2992 18 HSiO3- 0.18904E-07 -7.7234 0.15617E-07 -7.8064 0.82615E+00 -0.0829 19 Ca(HSiO3)+ 0.42761E-13 -13.3689 0.35400E-13 -13.4510 0.82786E+00 -0.0820 20 Mg(HSiO3)+ 0.22276E-16 -16.6522 0.18442E-16 -16.7342 0.82786E+00 -0.0820 21 NaHSiO3,aq 0.44164E-08 -8.3549 0.44164E-08 -8.3549 0.10000E+01 0.0000 22 AlO+ 0.39233E-10 -10.4063 0.32480E-10 -10.4884 0.82786E+00 -0.0820 23 AlOH+2 0.19800E-10 -10.7033 0.98681E-11 -11.0058 0.49840E+00 -0.3024 24 HAlO2,aq 0.10559E-09 -9.9764 0.10559E-09 -9.9764 0.10000E+01 0.0000 25 AlO2- 0.46457E-11 -11.3330 0.38305E-11 -11.4167 0.82453E+00 -0.0838 26 CH4,aq 0.33336E-09 -9.4771 0.32201E-09 -9.4921 0.96595E+00 -0.0150 31 CO,aq 0.14704E-10 -10.8326 0.14704E-10 -10.8326 0.10000E+01 0.0000 32 CO2,aq 0.20528E+00 -0.6876 0.19829E+00 -0.7027 0.96595E+00 -0.0150 33 CO3-2 0.43183E-08 -8.3647 0.21685E-08 -8.6638 0.50217E+00 -0.2992 34 CaCO3,aq 0.27064E-11 -11.5676 0.27064E-11 -11.5676 0.10000E+01 0.0000 35 Ca(HCO3)+ 0.46490E-08 -8.3326 0.38487E-08 -8.4147 0.82786E+00 -0.0820 36 CaCl+ 0.27270E-08 -8.5643 0.22576E-08 -8.6464 0.82786E+00 -0.0820 37 CaCl2,aq 0.75174E-11 -11.1239 0.75174E-11 -11.1239 0.10000E+01 0.0000 38 CaF+ 0.12247E-08 -8.9120 0.10139E-08 -8.9940 0.82786E+00 -0.0820 39 CaOH+ 0.13987E-12 -12.8543 0.11579E-12 -12.9363 0.82786E+00 -0.0820 40 CaSO4,aq 0.12808E-07 -7.8925 0.12808E-07 -7.8925 0.10000E+01 0.0000 41 HCl,aq 0.15671E-06 -6.8049 0.15671E-06 -6.8049 0.10000E+01 0.0000 45 HF,aq 0.29142E-03 -3.5355 0.29142E-03 -3.5355 0.10000E+01 0.0000 46 HF2- 0.83090E-07 -7.0805 0.68645E-07 -7.1634 0.82615E+00 -0.0829 48 FeCl+ 0.14769E-13 -13.8306 0.12227E-13 -13.9127 0.82786E+00 -0.0820 51 FeF+ 0.23736E-13 -13.6246 0.19650E-13 -13.7066 0.82786E+00 -0.0820 54 FeOH+ 0.35375E-15 -15.4513 0.29286E-15 -15.5333 0.82786E+00 -0.0820 56 FeO+ 0.15561E-19 -19.8080 0.12883E-19 -19.8900 0.82786E+00 -0.0820 60 H2,aq 0.30436E-08 -8.5166 0.29400E-08 -8.5317 0.96595E+00 -0.0150 61 KCl,aq 0.31298E-07 -7.5045 0.31298E-07 -7.5045 0.10000E+01 0.0000 62 KHSO4,aq 0.86138E-11 -11.0648 0.86138E-11 -11.0648 0.10000E+01 0.0000 63 KOH,aq 0.85890E-12 -12.0661 0.85890E-12 -12.0661 0.10000E+01 0.0000 64 KSO4- 0.93785E-06 -6.0279 0.77480E-06 -6.1108 0.82615E+00 -0.0829 65 MgCO3,aq 0.28396E-15 -15.5467 0.28396E-15 -15.5467 0.10000E+01 0.0000 66 Mg(HCO3)+ 0.19885E-11 -11.7015 0.16462E-11 -11.7835 0.82786E+00 -0.0820 67 MgCl+ 0.10346E-11 -11.9852 0.85651E-12 -12.0673 0.82786E+00 -0.0820 68 MgF+ 0.18990E-11 -11.7215 0.15721E-11 -11.8035 0.82786E+00 -0.0820 69 MgOH+ 0.32398E-15 -15.4895 0.26821E-15 -15.5715 0.82786E+00 -0.0820 71 MnF+ 0.15113E-10 -10.8207 0.12511E-10 -10.9027 0.82786E+00 -0.0820 72 MnO,aq 0.29496E-18 -18.5302 0.29496E-18 -18.5302 0.10000E+01 0.0000 73 MnOH+ 0.63479E-13 -13.1974 0.52552E-13 -13.2794 0.82786E+00 -0.0820 78 MnCl+ 0.11099E-09 -9.9547 0.91888E-10 -10.0367 0.82786E+00 -0.0820 79 MnSO4,aq 0.12456E-09 -9.9046 0.12456E-09 -9.9046 0.10000E+01 0.0000 80 NaCl,aq 0.81213E-04 -4.0904 0.81213E-04 -4.0904 0.10000E+01 0.0000 81 NaF,aq 0.28559E-05 -5.5443 0.28559E-05 -5.5443 0.10000E+01 0.0000 82 NaOH,aq 0.12263E-09 -9.9114 0.12263E-09 -9.9114 0.10000E+01 0.0000 84 OH- 0.11438E-07 -7.9416 0.94313E-08 -8.0254 0.82453E+00 -0.0838 91 H2PO3- 0.43378E-19 -19.3627 0.35836E-19 -19.4457 0.82615E+00 -0.0829 92 H3PO4,aq 0.82905E-09 -9.0814 0.82905E-09 -9.0814 0.10000E+01 0.0000 93 H2PO4- 0.43335E-07 -7.3632 0.35838E-07 -7.4457 0.82700E+00 -0.0825 94 PO4-3 0.18677E-17 -17.7287 0.42575E-18 -18.3708 0.22795E+00 -0.6422 96 H3P2O7- 0.23043E-17 -17.6375 0.19037E-17 -17.7204 0.82615E+00 -0.0829 97 H2P2O7-2 0.20135E-15 -15.6960 0.10111E-15 -15.9952 0.50217E+00 -0.2992 98 HP2O7-3 0.15292E-17 -17.8155 0.33089E-18 -18.4803 0.21638E+00 -0.6648 100 H2S,aq 0.17383E-01 -1.7599 0.16791E-01 -1.7749 0.96595E+00 -0.0150 101 S2-2 0.11899E-09 -9.9245 0.59751E-10 -10.2237 0.50217E+00 -0.2992 102 S3-2 0.91553E-09 -9.0383 0.45975E-09 -9.3375 0.50217E+00 -0.2992 103 S3- 0.41977E-06 -6.3770 0.34680E-06 -6.4599 0.82615E+00 -0.0829 104 S4-2 0.46534E-08 -8.3322 0.23368E-08 -8.6314 0.50217E+00 -0.2992 105 S5-2 0.15771E-07 -7.8021 0.79198E-08 -8.1013 0.50217E+00 -0.2992 106 SO2,aq 0.19969E-10 -10.6996 0.19969E-10 -10.6996 0.10000E+01 0.0000 107 SO3-2 0.30477E-12 -12.5160 0.15545E-12 -12.8084 0.51004E+00 -0.2924 108 HSO3- 0.71884E-09 -9.1434 0.59387E-09 -9.2263 0.82615E+00 -0.0829 109 HSO4- 0.28754E-04 -4.5413 0.23830E-04 -4.6229 0.82874E+00 -0.0816 111 S2O3-2 0.15981E-06 -6.7964 0.80252E-07 -7.0955 0.50217E+00 -0.2992 112 HS2O3- 0.10598E-08 -8.9748 0.87553E-09 -9.0577 0.82615E+00 -0.0829 113 H2S2O3,aq 0.85641E-12 -12.0673 0.85641E-12 -12.0673 0.10000E+01 0.0000 121 S4O6-2 0.34465E-14 -14.4626 0.17307E-14 -14.7618 0.50217E+00 -0.2992 Charge balance for all species = -.5843E-08 Component Molality Aq.molality ppm log[A(N)/A(H+)**Z] (total) 1 H+ 0.7337527E-04 0.2230613E+00 0.2223776E+03 0.0000 2 H2O 0.1000000E+01 0.5530297E+02 0.9854217E+06 0.0000 3 Cl- 0.1696518E-01 0.1704659E-01 0.5977542E+03 2.3612 4 SO4-- 0.8051474E-03 0.8352949E-03 0.7936369E+02 5.0368 5 HCO3- 0.1830720E-02 0.2071142E+00 0.1249955E+05 1.3949 6 HS- 0.1077590E-03 0.1749168E-01 0.5721689E+03 0.1641 7 Al+++ 0.4128918E-11 0.1733935E-09 0.4627336E-05 0.5942 8 H4SiO4 0.1016454E-02 0.1016477E-02 0.9663243E+02 -2.9929 9 Ca++ 0.1993392E-06 0.2207588E-06 0.8750971E-02 1.4271 10 Mg++ 0.8385809E-10 0.8878081E-10 0.2134873E-05 -1.9511 11 Fe++ 0.1108005E-11 0.1146864E-11 0.6334961E-07 -3.8296 12 K+ 0.1488632E-03 0.1498323E-03 0.5794776E+01 0.3052 13 Na+ 0.2116832E-01 0.2125240E-01 0.4832539E+03 2.4572 14 Mn++ 0.2138388E-08 0.2389115E-08 0.1298201E-03 -0.5437 15 F- 0.8463812E-03 0.1140823E-02 0.2143673E+02 1.0582 16 HPO4-- 0.6324864E-10 0.4422761E-07 0.4198574E-02 -2.0679 Component Tot moles Aq. moles Solid moles Gas moles 1 H+ 0.2706949E+00 0.2102538E+00 0.6044108E-01 0.0000000E+00 2 H2O 0.5205689E+02 0.5212764E+02 -.7074557E-01 0.0000000E+00 3 Cl- 0.1606783E-01 0.1606783E-01 0.0000000E+00 0.0000000E+00 4 SO4-- 0.1287747E-01 0.7873348E-03 0.1209013E-01 0.0000000E+00 5 HCO3- 0.1952223E+00 0.1952223E+00 0.0000000E+00 0.0000000E+00 6 HS- 0.5275779E-01 0.1648736E-01 0.3627043E-01 0.0000000E+00 7 Al+++ 0.4775352E-05 0.1634378E-09 0.4775189E-05 0.0000000E+00 8 H4SiO4 0.1215302E-01 0.9581144E-03 0.1119491E-01 0.0000000E+00 9 Ca++ 0.2080835E-06 0.2080835E-06 0.0000000E+00 0.0000000E+00 10 Mg++ 0.8368328E-10 0.8368328E-10 0.0000000E+00 0.0000000E+00 11 Fe++ 0.3259227E-07 0.1081015E-11 0.3259119E-07 0.0000000E+00 12 K+ 0.1412294E-03 0.1412294E-03 0.0000000E+00 0.0000000E+00 13 Na+ 0.2003215E-01 0.2003215E-01 0.0000000E+00 0.0000000E+00 14 Mn++ 0.2251939E-08 0.2251939E-08 0.0000000E+00 0.0000000E+00 15 F- 0.1080096E-02 0.1075321E-02 0.4775189E-05 0.0000000E+00 16 HPO4-- 0.4168819E-07 0.4168819E-07 0.0000000E+00 0.0000000E+00 Chg. balance for solid moles: -.6517E-17 Mass of aqueous solution: 0.952988E+03 g Temperature = 100.00 C Pressure = 50.00 bar Mixer frac. = 2.6999900 Log Log Vol Gas or mineral Moles Moles Grams Grams Wt.% (cm3) pyrite 0.3259E-07 -7.487 0.3910E-05 -5.408 0.1759E-03 0.7802E-06 quartz 0.1119E-01 -1.951 0.6724 -0.172 30.25 0.2539 sulfur 0.4836E-01 -1.316 1.550 0.190 69.74 0.7501 topaz 0.2388E-05 -5.622 0.4394E-03 -3.357 0.1976E-01 0.1230E-03 Partial press. Fugacity coef Log fugacity Gas or Mineral Mole fraction or activity Activity coef Log activity pyrite 0.1000E+01 0.1000E+01 1.0000 0.000 quartz 0.1000E+01 0.1000E+01 1.0000 0.000 sulfur 0.1000E+01 0.1000E+01 1.0000 0.000 topaz 0.1000E+01 0.1000E+01 1.0000 0.000 Solid products produced: Mass = 2.223327 g Volume = 1.004160 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. Reactant consumed: 2.6999900 moles log = 0.4314 Original solution: 1000.0103000 g Original solution / Rock added: 370.38 (Water/Rock Ratio), log = 2.5686 Gas composition at saturation ( 3 iterations) ------------------------------------------------- Temperature: 100.0000 deg.C Sat. pressure: 24.3840 bar Gas Mole fraction phi Fugacity Partial P(bar) H2O,gas 0.4705E-01 0.8733 0.1002E+01 0.1147E+01 CO2,gas 0.9322E+00 0.9334 0.2122E+02 0.2273E+02 CH4,gas 0.1908E-07 1.0190 0.4740E-06 0.4652E-06 H2,gas 0.1563E-06 1.0131 0.3860E-05 0.3810E-05 H2S,gas 0.2078E-01 0.9110 0.4616E+00 0.5066E+00 S2,gas 0.2201E-10 1.0000 0.5368E-09 0.5368E-09 CO,gas 0.8986E-09 1.0000 0.2191E-07 0.2191E-07 SO3,gas 0.2349E-28 1.0000 0.5727E-27 0.5727E-27 SO2,gas 0.3541E-11 1.0000 0.8635E-10 0.8635E-10 HF,gas 0.2934E-07 1.0000 0.7155E-06 0.7155E-06 HCl,gas 0.1134E-10 1.0000 0.2765E-09 0.2765E-09 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 145 pyrite -21.25 -21.25 0.00 0.000 0.00000E+00 150 quartz -2.99 -2.99 0.00 0.000 0.00000E+00 172 sulfur -9.15 -9.15 0.00 0.000 0.00000E+00 214 topaz -16.55 -16.55 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 1.70 0.00 -1.70 -1.698 0.28995E+04 0.001 2 CO2,gas -6.66 -7.03 -0.37 -0.124 0.63573E+03 1.327 3 CH4,gas 4.54 -3.48 -8.02 -2.006 0.13699E+05 -6.324 4 H2,gas 8.00 0.89 -7.11 -4.064 0.12144E+05 -5.413 5 H2S,gas -6.23 -8.26 -2.03 -1.017 0.34743E+04 -0.336 6 S2,gas -7.34 -18.30 -10.97 -1.688 0.18730E+05 -9.270 7 CO,gas 3.21 -6.14 -9.36 -2.879 0.15979E+05 -7.659 8 SO3,gas 17.12 -11.82 -28.94 -7.235 0.49416E+05 -27.242 9 SO2,gas 0.83 -10.93 -11.76 -3.137 0.20084E+05 -10.064 10 HF,gas 0.47 -7.37 -7.84 -3.922 0.13394E+05 -6.145 11 HCl,gas 5.19 -6.07 -11.26 -5.629 0.19221E+05 -9.558 57 coesite -2.38 -2.99 -0.61 -0.204 0.10473E+04 64 cristobalite -2.56 -2.99 -0.43 -0.143 0.73267E+03 68 diaspore 2.87 0.59 -2.28 -0.380 0.38981E+04 69 diamond -3.10 -5.25 -2.15 -0.615 0.36742E+04 86 gibbsite 4.08 0.59 -3.49 -0.499 0.59596E+04 89 graphite -3.55 -5.25 -1.71 -0.488 0.29165E+04 101 kaolinite -1.33 -4.80 -3.47 -0.315 0.59187E+04 149 pyrophyllite -6.18 -10.78 -4.60 -0.288 0.78551E+04 181 tridymite -2.63 -2.99 -0.36 -0.121 0.61998E+03 202 chalcedony -2.80 -2.99 -0.19 -0.062 0.31930E+03 237 boehmite 4.41 0.59 -3.82 -0.636 0.65150E+04 240 fluorite -9.93 -13.31 -3.38 -1.128 0.57781E+04 245 silica-amorphous -2.09 -2.99 -0.90 -0.299 0.15335E+04 Calculations done for 100.0000 Deg. C; 50.0000 bar Next reactant titration increment of: 0.1000000 MOLES Current total amount of reactant added: 2.6999900 MOLES New total amount of reactant added: 2.7999900 MOLES Solids and gases carried Charge balance check after fractionation or titration: TBAL = -.5508E-08 ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ Magmatic gas scrubbing preliminary calculation. React meteoric water with andesite, Getahun et al. 1996 J. Volc. Geotherm. Res. 71(73-107). Table 1 page 82 sample MAF-1 ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ Number of loops used = 12 Loop limit = 400 Temperature = 100.00 C Pressure = 50.00 bar Mixer fraction = 2.7999900 Water: Moles liquid = 0.5241E+02 kg liquid = 0.9442E+00 Moles total = 0.5214E+02 kg total = 0.9393E+00 Activity = 0.9959 Stoichiometric ionic strength = .1377920E+00 Osmotic coef. = 0.9110 True ionic strength = .2196831E-01 Chg. balance for total moles = -.5508E-08 Max. difference allowed = 0.1666E-05 Log Log Log Species(n) Molality Molality Activity Activity Gamma Gamma 1 H+ 0.85058E-04 -4.0703 0.70768E-04 -4.1502 0.83200E+00 -0.0799 2 H2O 0.99587E+00 -0.0018 0.99587E+00 -0.0018 3 Cl- 0.17557E-01 -1.7555 0.14513E-01 -1.8382 0.82662E+00 -0.0827 4 SO4-- 0.60538E-03 -3.2180 0.30551E-03 -3.5150 0.50466E+00 -0.2970 5 HCO3- 0.16337E-02 -2.7868 0.13526E-02 -2.8688 0.82792E+00 -0.0820 6 HS- 0.92408E-04 -4.0343 0.76398E-04 -4.1169 0.82675E+00 -0.0826 7 Al+++ 0.55472E-11 -11.2559 0.12065E-11 -11.9185 0.21749E+00 -0.6626 8 H4SiO4 0.10162E-02 -2.9930 0.10162E-02 -2.9930 0.10000E+01 0.0000 9 Ca++ 0.20221E-06 -6.6942 0.10124E-06 -6.9946 0.50067E+00 -0.3005 10 Mg++ 0.83877E-10 -10.0764 0.41788E-10 -10.3790 0.49820E+00 -0.3026 11 Fe++ 0.14936E-11 -11.8258 0.74501E-12 -12.1278 0.49879E+00 -0.3021 12 K+ 0.14883E-03 -3.8273 0.12325E-03 -3.9092 0.82813E+00 -0.0819 13 Na+ 0.21128E-01 -1.6751 0.17462E-01 -1.7579 0.82646E+00 -0.0828 14 Mn++ 0.21584E-08 -8.6659 0.10775E-08 -8.9676 0.49924E+00 -0.3017 15 F- 0.84179E-03 -3.0748 0.69430E-03 -3.1585 0.82479E+00 -0.0837 16 HPO4-- 0.54172E-10 -10.2662 0.27343E-10 -10.5632 0.50473E+00 -0.2969 17 SiF6-2 0.18312E-13 -13.7373 0.92202E-14 -14.0353 0.50350E+00 -0.2980 18 HSiO3- 0.16287E-07 -7.7881 0.13463E-07 -7.8708 0.82662E+00 -0.0827 19 Ca(HSiO3)+ 0.37475E-13 -13.4263 0.31042E-13 -13.5081 0.82832E+00 -0.0818 20 Mg(HSiO3)+ 0.19250E-16 -16.7156 0.15946E-16 -16.7974 0.82832E+00 -0.0818 21 NaHSiO3,aq 0.38023E-08 -8.4200 0.38023E-08 -8.4200 0.10000E+01 0.0000 22 AlO+ 0.39402E-10 -10.4045 0.32638E-10 -10.4863 0.82832E+00 -0.0818 23 AlOH+2 0.23013E-10 -10.6380 0.11501E-10 -10.9393 0.49976E+00 -0.3012 24 HAlO2,aq 0.91466E-10 -10.0387 0.91466E-10 -10.0387 0.10000E+01 0.0000 25 AlO2- 0.34678E-11 -11.4599 0.28610E-11 -11.5435 0.82502E+00 -0.0835 26 CH4,aq 0.33899E-09 -9.4698 0.32720E-09 -9.4852 0.96523E+00 -0.0154 31 CO,aq 0.15157E-10 -10.8194 0.15157E-10 -10.8194 0.10000E+01 0.0000 32 CO2,aq 0.21277E+00 -0.6721 0.20538E+00 -0.6874 0.96523E+00 -0.0154 33 CO3-2 0.33156E-08 -8.4794 0.16694E-08 -8.7774 0.50350E+00 -0.2980 34 CaCO3,aq 0.21192E-11 -11.6738 0.21192E-11 -11.6738 0.10000E+01 0.0000 35 Ca(HCO3)+ 0.42198E-08 -8.3747 0.34954E-08 -8.4565 0.82832E+00 -0.0818 36 CaCl+ 0.28706E-08 -8.5420 0.23778E-08 -8.6238 0.82832E+00 -0.0818 37 CaCl2,aq 0.81988E-11 -11.0863 0.81988E-11 -11.0863 0.10000E+01 0.0000 38 CaF+ 0.12390E-08 -8.9069 0.10263E-08 -8.9887 0.82832E+00 -0.0818 39 CaOH+ 0.12258E-12 -12.9116 0.10154E-12 -12.9934 0.82832E+00 -0.0818 40 CaSO4,aq 0.98215E-08 -8.0078 0.98215E-08 -8.0078 0.10000E+01 0.0000 41 HCl,aq 0.18821E-06 -6.7254 0.18821E-06 -6.7254 0.10000E+01 0.0000 45 HF,aq 0.33636E-03 -3.4732 0.33636E-03 -3.4732 0.10000E+01 0.0000 46 HF2- 0.95386E-07 -7.0205 0.78848E-07 -7.1032 0.82662E+00 -0.0827 48 FeCl+ 0.20662E-13 -13.6848 0.17114E-13 -13.7666 0.82832E+00 -0.0818 51 FeF+ 0.31912E-13 -13.4961 0.26433E-13 -13.5779 0.82832E+00 -0.0818 54 FeOH+ 0.41200E-15 -15.3851 0.34127E-15 -15.4669 0.82832E+00 -0.0818 56 FeO+ 0.18168E-19 -19.7407 0.15049E-19 -19.8225 0.82832E+00 -0.0818 60 H2,aq 0.30312E-08 -8.5184 0.29258E-08 -8.5338 0.96523E+00 -0.0154 61 KCl,aq 0.32420E-07 -7.4892 0.32420E-07 -7.4892 0.10000E+01 0.0000 62 KHSO4,aq 0.75341E-11 -11.1230 0.75341E-11 -11.1230 0.10000E+01 0.0000 63 KOH,aq 0.74070E-12 -12.1304 0.74070E-12 -12.1304 0.10000E+01 0.0000 64 KSO4- 0.70685E-06 -6.1507 0.58430E-06 -6.2334 0.82662E+00 -0.0827 65 MgCO3,aq 0.21925E-15 -15.6591 0.21925E-15 -15.6591 0.10000E+01 0.0000 66 Mg(HCO3)+ 0.17798E-11 -11.7496 0.14742E-11 -11.8314 0.82832E+00 -0.0818 67 MgCl+ 0.10739E-11 -11.9690 0.88954E-12 -12.0508 0.82832E+00 -0.0818 68 MgF+ 0.18944E-11 -11.7225 0.15691E-11 -11.8043 0.82832E+00 -0.0818 69 MgOH+ 0.27997E-15 -15.5529 0.23191E-15 -15.6347 0.82832E+00 -0.0818 71 MnF+ 0.15213E-10 -10.8178 0.12601E-10 -10.8996 0.82832E+00 -0.0818 72 MnO,aq 0.22190E-18 -18.6539 0.22190E-18 -18.6539 0.10000E+01 0.0000 73 MnOH+ 0.55355E-13 -13.2568 0.45852E-13 -13.3386 0.82832E+00 -0.0818 78 MnCl+ 0.11626E-09 -9.9346 0.96301E-10 -10.0164 0.82832E+00 -0.0818 79 MnSO4,aq 0.95035E-10 -10.0221 0.95035E-10 -10.0221 0.10000E+01 0.0000 80 NaCl,aq 0.83985E-04 -4.0758 0.83985E-04 -4.0758 0.10000E+01 0.0000 81 NaF,aq 0.28384E-05 -5.5469 0.28384E-05 -5.5469 0.10000E+01 0.0000 82 NaOH,aq 0.10558E-09 -9.9764 0.10558E-09 -9.9764 0.10000E+01 0.0000 84 OH- 0.98551E-08 -8.0063 0.81306E-08 -8.0899 0.82502E+00 -0.0835 91 H2PO3- 0.42977E-19 -19.3668 0.35525E-19 -19.4495 0.82662E+00 -0.0827 92 H3PO4,aq 0.95772E-09 -9.0188 0.95772E-09 -9.0188 0.10000E+01 0.0000 93 H2PO4- 0.43138E-07 -7.3651 0.35695E-07 -7.4474 0.82746E+00 -0.0823 94 PO4-3 0.13749E-17 -17.8617 0.31523E-18 -18.5014 0.22928E+00 -0.6396 95 H4P2O7,aq 0.12143E-19 -19.9157 0.12143E-19 -19.9157 0.10000E+01 0.0000 96 H3P2O7- 0.26502E-17 -17.5767 0.21907E-17 -17.6594 0.82662E+00 -0.0827 97 H2P2O7-2 0.19924E-15 -15.7006 0.10032E-15 -15.9986 0.50350E+00 -0.2980 98 HP2O7-3 0.13000E-17 -17.8860 0.28306E-18 -18.5481 0.21773E+00 -0.6621 100 H2S,aq 0.17312E-01 -1.7617 0.16710E-01 -1.7770 0.96523E+00 -0.0154 101 S2-2 0.87791E-10 -10.0566 0.44203E-10 -10.3545 0.50350E+00 -0.2980 102 S3-2 0.67550E-09 -9.1704 0.34012E-09 -9.4684 0.50350E+00 -0.2980 103 S3- 0.36085E-06 -6.4427 0.29828E-06 -6.5254 0.82662E+00 -0.0827 104 S4-2 0.34334E-08 -8.4643 0.17287E-08 -8.7623 0.50350E+00 -0.2980 105 S5-2 0.11636E-07 -7.9342 0.58590E-08 -8.2322 0.50350E+00 -0.2980 106 SO2,aq 0.20158E-10 -10.6956 0.20158E-10 -10.6956 0.10000E+01 0.0000 107 SO3-2 0.22810E-12 -12.6419 0.11664E-12 -12.9332 0.51134E+00 -0.2913 108 HSO3- 0.62521E-09 -9.2040 0.51681E-09 -9.2867 0.82662E+00 -0.0827 109 HSO4- 0.25128E-04 -4.5998 0.20836E-04 -4.6812 0.82919E+00 -0.0813 111 S2O3-2 0.11959E-06 -6.9223 0.60215E-07 -7.2203 0.50350E+00 -0.2980 112 HS2O3- 0.92174E-09 -9.0354 0.76193E-09 -9.1181 0.82662E+00 -0.0827 113 H2S2O3,aq 0.86441E-12 -12.0633 0.86441E-12 -12.0633 0.10000E+01 0.0000 121 S4O6-2 0.26159E-14 -14.5824 0.13171E-14 -14.8804 0.50350E+00 -0.2980 Charge balance for all species = -.5833E-08 Component Molality Aq.molality ppm log[A(N)/A(H+)**Z] (total) 1 H+ 0.8505827E-04 0.2305336E+00 0.2297552E+03 0.0000 2 H2O 0.1000000E+01 0.5529547E+02 0.9849802E+06 0.0000 3 Cl- 0.1755731E-01 0.1764152E-01 0.6184228E+03 2.3119 4 SO4-- 0.6053764E-03 0.6315809E-03 0.5998950E+02 4.7853 5 HCO3- 0.1633691E-02 0.2144078E+00 0.1293568E+05 1.2813 6 HS- 0.9240759E-04 0.1740496E-01 0.5691541E+03 0.0332 7 Al+++ 0.5547245E-11 0.1628961E-09 0.4345835E-05 0.5320 8 H4SiO4 0.1016184E-02 0.1016204E-02 0.9657620E+02 -2.9930 9 Ca++ 0.2022100E-06 0.2203715E-06 0.8732888E-02 1.3057 10 Mg++ 0.8387650E-10 0.8862505E-10 0.2130461E-05 -2.0786 11 Fe++ 0.1493634E-11 0.1546619E-11 0.8540426E-07 -3.8275 12 K+ 0.1488302E-03 0.1495695E-03 0.5782801E+01 0.2410 13 Na+ 0.2112829E-01 0.2121511E-01 0.4822552E+03 2.3922 14 Mn++ 0.2158360E-08 0.2384923E-08 0.1295519E-03 -0.6672 15 F- 0.8417924E-03 0.1181184E-02 0.2218819E+02 0.9917 16 HPO4-- 0.5417223E-10 0.4415001E-07 0.4189898E-02 -2.2628 Component Tot moles Aq. moles Solid moles Gas moles 1 H+ 0.2814624E+00 0.2176789E+00 0.6378343E-01 0.0000000E+00 2 H2O 0.5213876E+02 0.5221218E+02 -.7341660E-01 0.0000000E+00 3 Cl- 0.1665783E-01 0.1665783E-01 0.0000000E+00 0.0000000E+00 4 SO4-- 0.1335497E-01 0.5963637E-03 0.1275860E-01 0.0000000E+00 5 HCO3- 0.2024523E+00 0.2024523E+00 0.0000000E+00 0.0000000E+00 6 HS- 0.5471029E-01 0.1643445E-01 0.3827584E-01 0.0000000E+00 7 Al+++ 0.4775352E-05 0.1538130E-09 0.4775198E-05 0.0000000E+00 8 H4SiO4 0.1215302E-01 0.9595397E-03 0.1119348E-01 0.0000000E+00 9 Ca++ 0.2080835E-06 0.2080835E-06 0.0000000E+00 0.0000000E+00 10 Mg++ 0.8368328E-10 0.8368328E-10 0.0000000E+00 0.0000000E+00 11 Fe++ 0.3259227E-07 0.1460379E-11 0.3259081E-07 0.0000000E+00 12 K+ 0.1412294E-03 0.1412294E-03 0.0000000E+00 0.0000000E+00 13 Na+ 0.2003215E-01 0.2003215E-01 0.0000000E+00 0.0000000E+00 14 Mn++ 0.2251939E-08 0.2251939E-08 0.0000000E+00 0.0000000E+00 15 F- 0.1120096E-02 0.1115321E-02 0.4775198E-05 0.0000000E+00 16 HPO4-- 0.4168819E-07 0.4168819E-07 0.0000000E+00 0.0000000E+00 Chg. balance for solid moles: 0.4092E-17 Mass of aqueous solution: 0.954961E+03 g Temperature = 100.00 C Pressure = 50.00 bar Mixer frac. = 2.7999900 Log Log Vol Gas or mineral Moles Moles Grams Grams Wt.% (cm3) pyrite 0.3259E-07 -7.487 0.3910E-05 -5.408 0.1694E-03 0.7802E-06 quartz 0.1119E-01 -1.951 0.6724 -0.172 29.12 0.2539 sulfur 0.5103E-01 -1.292 1.636 0.214 70.86 0.7916 topaz 0.2388E-05 -5.622 0.4394E-03 -3.357 0.1903E-01 0.1230E-03 Partial press. Fugacity coef Log fugacity Gas or Mineral Mole fraction or activity Activity coef Log activity pyrite 0.1000E+01 0.1000E+01 1.0000 0.000 quartz 0.1000E+01 0.1000E+01 1.0000 0.000 sulfur 0.1000E+01 0.1000E+01 1.0000 0.000 topaz 0.1000E+01 0.1000E+01 1.0000 0.000 Solid products produced: Mass = 2.308966 g Volume = 1.045600 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. Reactant consumed: 2.7999900 moles log = 0.4472 Original solution: 1000.0103000 g Original solution / Rock added: 357.15 (Water/Rock Ratio), log = 2.5528 Gas composition at saturation ( 3 iterations) ------------------------------------------------- Temperature: 100.0000 deg.C Sat. pressure: 25.2581 bar Gas Mole fraction phi Fugacity Partial P(bar) H2O,gas 0.4564E-01 0.8691 0.1002E+01 0.1153E+01 CO2,gas 0.9343E+00 0.9311 0.2197E+02 0.2360E+02 CH4,gas 0.1870E-07 1.0195 0.4816E-06 0.4724E-06 H2,gas 0.1500E-06 1.0136 0.3841E-05 0.3790E-05 H2S,gas 0.2003E-01 0.9081 0.4593E+00 0.5058E+00 S2,gas 0.2125E-10 1.0000 0.5368E-09 0.5368E-09 CO,gas 0.8943E-09 1.0000 0.2259E-07 0.2259E-07 SO3,gas 0.2300E-28 1.0000 0.5809E-27 0.5809E-27 SO2,gas 0.3451E-11 1.0000 0.8717E-10 0.8717E-10 HF,gas 0.3270E-07 1.0000 0.8259E-06 0.8259E-06 HCl,gas 0.1315E-10 1.0000 0.3321E-09 0.3321E-09 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 145 pyrite -21.25 -21.25 0.00 0.000 -0.60662E-11 150 quartz -2.99 -2.99 0.00 0.000 0.00000E+00 172 sulfur -9.15 -9.15 0.00 0.000 0.00000E+00 214 topaz -16.55 -16.55 0.00 0.000 -0.60662E-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 1.70 0.00 -1.70 -1.698 0.28996E+04 0.001 2 CO2,gas -6.66 -7.02 -0.36 -0.119 0.60970E+03 1.342 3 CH4,gas 4.54 -3.47 -8.02 -2.004 0.13688E+05 -6.317 4 H2,gas 8.00 0.89 -7.11 -4.065 0.12148E+05 -5.416 5 H2S,gas -6.23 -8.27 -2.04 -1.018 0.34778E+04 -0.338 6 S2,gas -7.34 -18.30 -10.97 -1.688 0.18730E+05 -9.270 7 CO,gas 3.21 -6.13 -9.35 -2.875 0.15957E+05 -7.646 8 SO3,gas 17.12 -11.81 -28.93 -7.234 0.49405E+05 -27.236 9 SO2,gas 0.83 -10.93 -11.76 -3.136 0.20077E+05 -10.060 10 HF,gas 0.47 -7.31 -7.78 -3.891 0.13288E+05 -6.083 11 HCl,gas 5.19 -5.99 -11.18 -5.589 0.19086E+05 -9.479 57 coesite -2.38 -2.99 -0.61 -0.204 0.10473E+04 64 cristobalite -2.56 -2.99 -0.43 -0.143 0.73267E+03 68 diaspore 2.87 0.53 -2.35 -0.391 0.40045E+04 69 diamond -3.10 -5.24 -2.14 -0.612 0.36552E+04 86 gibbsite 4.08 0.53 -3.55 -0.508 0.60661E+04 89 graphite -3.55 -5.24 -1.70 -0.485 0.28974E+04 101 kaolinite -1.33 -4.92 -3.59 -0.326 0.61317E+04 149 pyrophyllite -6.18 -10.90 -4.73 -0.295 0.80680E+04 181 tridymite -2.63 -2.99 -0.36 -0.121 0.61998E+03 202 chalcedony -2.80 -2.99 -0.19 -0.062 0.31930E+03 237 boehmite 4.41 0.53 -3.88 -0.646 0.66214E+04 240 fluorite -9.93 -13.31 -3.38 -1.127 0.57727E+04 245 silica-amorphous -2.09 -2.99 -0.90 -0.299 0.15335E+04 Calculations done for 100.0000 Deg. C; 50.0000 bar Next reactant titration increment of: 0.1000000 MOLES Current total amount of reactant added: 2.7999900 MOLES New total amount of reactant added: 2.8999900 MOLES Solids and gases carried Charge balance check after fractionation or titration: TBAL = -.5508E-08 ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ Magmatic gas scrubbing preliminary calculation. React meteoric water with andesite, Getahun et al. 1996 J. Volc. Geotherm. Res. 71(73-107). Table 1 page 82 sample MAF-1 ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ Number of loops used = 12 Loop limit = 400 Temperature = 100.00 C Pressure = 50.00 bar Mixer fraction = 2.8999900 Water: Moles liquid = 0.5250E+02 kg liquid = 0.9459E+00 Moles total = 0.5222E+02 kg total = 0.9408E+00 Activity = 0.9957 Stoichiometric ionic strength = .1413749E+00 Osmotic coef. = 0.9133 True ionic strength = .2176533E-01 Chg. balance for total moles = -.5508E-08 Max. difference allowed = 0.1725E-05 Log Log Log Species(n) Molality Molality Activity Activity Gamma Gamma 1 H+ 0.10145E-03 -3.9938 0.84441E-04 -4.0734 0.83237E+00 -0.0797 2 H2O 0.99574E+00 -0.0019 0.99574E+00 -0.0019 3 Cl- 0.18147E-01 -1.7412 0.15008E-01 -1.8237 0.82703E+00 -0.0825 4 SO4-- 0.42591E-03 -3.3707 0.21544E-03 -3.6667 0.50584E+00 -0.2960 5 HCO3- 0.14154E-02 -2.8491 0.11724E-02 -2.9309 0.82832E+00 -0.0818 6 HS- 0.77289E-04 -4.1119 0.63930E-04 -4.1943 0.82716E+00 -0.0824 7 Al+++ 0.80117E-11 -11.0963 0.17522E-11 -11.7564 0.21870E+00 -0.6601 8 H4SiO4 0.10159E-02 -2.9931 0.10159E-02 -2.9931 0.10000E+01 0.0000 9 Ca++ 0.20497E-06 -6.6883 0.10287E-06 -6.9877 0.50187E+00 -0.2994 10 Mg++ 0.83946E-10 -10.0760 0.41925E-10 -10.3775 0.49942E+00 -0.3015 11 Fe++ 0.21246E-11 -11.6727 0.10623E-11 -11.9737 0.50001E+00 -0.3010 12 K+ 0.14878E-03 -3.8275 0.12327E-03 -3.9092 0.82853E+00 -0.0817 13 Na+ 0.21088E-01 -1.6760 0.17437E-01 -1.7585 0.82687E+00 -0.0826 14 Mn++ 0.21764E-08 -8.6623 0.10892E-08 -8.9629 0.50045E+00 -0.3006 15 F- 0.82491E-03 -3.0836 0.68073E-03 -3.1670 0.82522E+00 -0.0834 16 HPO4-- 0.45057E-10 -10.3462 0.22795E-10 -10.6422 0.50592E+00 -0.2959 17 SiF6-2 0.32902E-13 -13.4828 0.16606E-13 -13.7797 0.50470E+00 -0.2970 18 HSiO3- 0.13641E-07 -7.8651 0.11282E-07 -7.9476 0.82703E+00 -0.0825 19 Ca(HSiO3)+ 0.31894E-13 -13.4963 0.26431E-13 -13.5779 0.82872E+00 -0.0816 20 Mg(HSiO3)+ 0.16176E-16 -16.7911 0.13406E-16 -16.8727 0.82872E+00 -0.0816 21 NaHSiO3,aq 0.31818E-08 -8.4973 0.31818E-08 -8.4973 0.10000E+01 0.0000 22 AlO+ 0.40169E-10 -10.3961 0.33289E-10 -10.4777 0.82872E+00 -0.0816 23 AlOH+2 0.27939E-10 -10.5538 0.13997E-10 -10.8540 0.50097E+00 -0.3002 24 HAlO2,aq 0.78174E-10 -10.1069 0.78174E-10 -10.1069 0.10000E+01 0.0000 25 AlO2- 0.24827E-11 -11.6051 0.20493E-11 -11.6884 0.82544E+00 -0.0833 26 CH4,aq 0.34888E-09 -9.4573 0.33650E-09 -9.4730 0.96451E+00 -0.0157 31 CO,aq 0.15657E-10 -10.8053 0.15657E-10 -10.8053 0.10000E+01 0.0000 32 CO2,aq 0.22026E+00 -0.6571 0.21244E+00 -0.6728 0.96451E+00 -0.0157 33 CO3-2 0.24029E-08 -8.6193 0.12127E-08 -8.9162 0.50470E+00 -0.2970 34 CaCO3,aq 0.15643E-11 -11.8057 0.15643E-11 -11.8057 0.10000E+01 0.0000 35 Ca(HCO3)+ 0.37149E-08 -8.4301 0.30786E-08 -8.5116 0.82872E+00 -0.0816 36 CaCl+ 0.30150E-08 -8.5207 0.24986E-08 -8.6023 0.82872E+00 -0.0816 37 CaCl2,aq 0.89091E-11 -11.0502 0.89091E-11 -11.0502 0.10000E+01 0.0000 38 CaF+ 0.12337E-08 -8.9088 0.10224E-08 -8.9904 0.82872E+00 -0.0816 39 CaOH+ 0.10432E-12 -12.9816 0.86455E-13 -13.0632 0.82872E+00 -0.0816 40 CaSO4,aq 0.70378E-08 -8.1526 0.70378E-08 -8.1526 0.10000E+01 0.0000 41 HCl,aq 0.23223E-06 -6.6341 0.23223E-06 -6.6341 0.10000E+01 0.0000 45 HF,aq 0.39350E-03 -3.4051 0.39350E-03 -3.4051 0.10000E+01 0.0000 46 HF2- 0.10935E-06 -6.9612 0.90438E-07 -7.0436 0.82703E+00 -0.0825 48 FeCl+ 0.30452E-13 -13.5164 0.25236E-13 -13.5980 0.82872E+00 -0.0816 49 FeCl2,aq 0.11992E-19 -19.9211 0.11992E-19 -19.9211 0.10000E+01 0.0000 51 FeF+ 0.44591E-13 -13.3508 0.36954E-13 -13.4323 0.82872E+00 -0.0816 54 FeOH+ 0.49204E-15 -15.3080 0.40776E-15 -15.3896 0.82872E+00 -0.0816 56 FeO+ 0.21714E-19 -19.6633 0.17995E-19 -19.7449 0.82872E+00 -0.0816 60 H2,aq 0.30288E-08 -8.5187 0.29213E-08 -8.5344 0.96451E+00 -0.0157 61 KCl,aq 0.33530E-07 -7.4746 0.33530E-07 -7.4746 0.10000E+01 0.0000 62 KHSO4,aq 0.63404E-11 -11.1979 0.63404E-11 -11.1979 0.10000E+01 0.0000 63 KOH,aq 0.62075E-12 -12.2071 0.62075E-12 -12.2071 0.10000E+01 0.0000 64 KSO4- 0.49829E-06 -6.3025 0.41210E-06 -6.3850 0.82703E+00 -0.0825 65 MgCO3,aq 0.15980E-15 -15.7964 0.15980E-15 -15.7964 0.10000E+01 0.0000 66 Mg(HCO3)+ 0.15470E-11 -11.8105 0.12820E-11 -11.8921 0.82872E+00 -0.0816 67 MgCl+ 0.11137E-11 -11.9532 0.92292E-12 -12.0348 0.82872E+00 -0.0816 68 MgF+ 0.18625E-11 -11.7299 0.15435E-11 -11.8115 0.82872E+00 -0.0816 69 MgOH+ 0.23526E-15 -15.6284 0.19497E-15 -15.7100 0.82872E+00 -0.0816 71 MnF+ 0.15070E-10 -10.8219 0.12488E-10 -10.9035 0.82872E+00 -0.0816 72 MnO,aq 0.15752E-18 -18.8027 0.15752E-18 -18.8027 0.10000E+01 0.0000 73 MnOH+ 0.46865E-13 -13.3291 0.38838E-13 -13.4107 0.82872E+00 -0.0816 78 MnCl+ 0.12147E-09 -9.9155 0.10066E-09 -9.9971 0.82872E+00 -0.0816 79 MnSO4,aq 0.67744E-10 -10.1691 0.67744E-10 -10.1691 0.10000E+01 0.0000 80 NaCl,aq 0.86731E-04 -4.0618 0.86731E-04 -4.0618 0.10000E+01 0.0000 81 NaF,aq 0.27790E-05 -5.5561 0.27790E-05 -5.5561 0.10000E+01 0.0000 82 NaOH,aq 0.88346E-10 -10.0538 0.88346E-10 -10.0538 0.10000E+01 0.0000 84 OH- 0.82540E-08 -8.0833 0.68132E-08 -8.1667 0.82544E+00 -0.0833 91 H2PO3- 0.42671E-19 -19.3699 0.35290E-19 -19.4523 0.82703E+00 -0.0825 92 H3PO4,aq 0.11368E-08 -8.9443 0.11368E-08 -8.9443 0.10000E+01 0.0000 93 H2PO4- 0.42891E-07 -7.3676 0.35508E-07 -7.4497 0.82787E+00 -0.0820 94 PO4-3 0.95567E-18 -18.0197 0.22025E-18 -18.6571 0.23047E+00 -0.6374 95 H4P2O7,aq 0.17110E-19 -19.7668 0.17110E-19 -19.7668 0.10000E+01 0.0000 96 H3P2O7- 0.31280E-17 -17.5047 0.25870E-17 -17.5872 0.82703E+00 -0.0825 97 H2P2O7-2 0.19672E-15 -15.7062 0.99284E-16 -16.0031 0.50470E+00 -0.2970 98 HP2O7-3 0.10723E-17 -17.9697 0.23478E-18 -18.6293 0.21894E+00 -0.6597 100 H2S,aq 0.17298E-01 -1.7620 0.16684E-01 -1.7777 0.96451E+00 -0.0157 101 S2-2 0.61423E-10 -10.2117 0.31000E-10 -10.5086 0.50470E+00 -0.2970 102 S3-2 0.47262E-09 -9.3255 0.23853E-09 -9.6225 0.50470E+00 -0.2970 103 S3- 0.30204E-06 -6.5199 0.24980E-06 -6.6024 0.82703E+00 -0.0825 104 S4-2 0.24022E-08 -8.6194 0.12124E-08 -8.9164 0.50470E+00 -0.2970 105 S5-2 0.81415E-08 -8.0893 0.41090E-08 -8.3863 0.50470E+00 -0.2970 106 SO2,aq 0.20214E-10 -10.6943 0.20214E-10 -10.6943 0.10000E+01 0.0000 107 SO3-2 0.16027E-12 -12.7951 0.82139E-13 -13.0855 0.51249E+00 -0.2903 108 HSO3- 0.52510E-09 -9.2798 0.43427E-09 -9.3622 0.82703E+00 -0.0825 109 HSO4- 0.21134E-04 -4.6750 0.17532E-04 -4.7562 0.82959E+00 -0.0811 111 S2O3-2 0.84021E-07 -7.0756 0.42405E-07 -7.3726 0.50470E+00 -0.2970 112 HS2O3- 0.77414E-09 -9.1112 0.64024E-09 -9.1937 0.82703E+00 -0.0825 113 H2S2O3,aq 0.86669E-12 -12.0621 0.86669E-12 -12.0621 0.10000E+01 0.0000 121 S4O6-2 0.18455E-14 -14.7339 0.93139E-15 -15.0309 0.50470E+00 -0.2970 Charge balance for all species = -.5823E-08 Component Molality Aq.molality ppm log[A(N)/A(H+)**Z] (total) 1 H+ 0.1014461E-03 0.2380762E+00 0.2371976E+03 0.0000 2 H2O 0.1000000E+01 0.5528799E+02 0.9845368E+06 0.0000 3 Cl- 0.1814739E-01 0.1823439E-01 0.6390045E+03 2.2498 4 SO4-- 0.4259122E-03 0.4478345E-03 0.4252330E+02 4.4802 5 HCO3- 0.1415399E-02 0.2216761E+00 0.1336998E+05 1.1425 6 HS- 0.7728902E-04 0.1737632E-01 0.5680385E+03 -0.1208 7 Al+++ 0.8011701E-11 0.1567764E-09 0.4181253E-05 0.4639 8 H4SiO4 0.1015911E-02 0.1015928E-02 0.9651960E+02 -2.9931 9 Ca++ 0.2049738E-06 0.2199858E-06 0.8714858E-02 1.1592 10 Mg++ 0.8394633E-10 0.8846992E-10 0.2126062E-05 -2.2306 11 Fe++ 0.2124592E-11 0.2200128E-11 0.1214528E-06 -3.8269 12 K+ 0.1487758E-03 0.1493077E-03 0.5770862E+01 0.1643 13 Na+ 0.2108847E-01 0.2117798E-01 0.4812596E+03 2.3149 14 Mn++ 0.2176419E-08 0.2380749E-08 0.1292844E-03 -0.8160 15 F- 0.8249066E-03 0.1221405E-02 0.2293650E+02 0.9064 16 HPO4-- 0.4505668E-10 0.4407273E-07 0.4181247E-02 -2.4953 Component Tot moles Aq. moles Solid moles Gas moles 1 H+ 0.2922299E+00 0.2251952E+00 0.6703473E-01 0.0000000E+00 2 H2O 0.5222063E+02 0.5229665E+02 -.7601479E-01 0.0000000E+00 3 Cl- 0.1724783E-01 0.1724783E-01 0.0000000E+00 0.0000000E+00 4 SO4-- 0.1383247E-01 0.4236045E-03 0.1340886E-01 0.0000000E+00 5 HCO3- 0.2096823E+00 0.2096823E+00 0.0000000E+00 0.0000000E+00 6 HS- 0.5666279E-01 0.1643617E-01 0.4022662E-01 0.0000000E+00 7 Al+++ 0.4775352E-05 0.1482941E-09 0.4775204E-05 0.0000000E+00 8 H4SiO4 0.1215302E-01 0.9609614E-03 0.1119206E-01 0.0000000E+00 9 Ca++ 0.2080835E-06 0.2080835E-06 0.0000000E+00 0.0000000E+00 10 Mg++ 0.8368328E-10 0.8368328E-10 0.0000000E+00 0.0000000E+00 11 Fe++ 0.3259227E-07 0.2081090E-11 0.3259019E-07 0.0000000E+00 12 K+ 0.1412294E-03 0.1412294E-03 0.0000000E+00 0.0000000E+00 13 Na+ 0.2003215E-01 0.2003215E-01 0.0000000E+00 0.0000000E+00 14 Mn++ 0.2251939E-08 0.2251939E-08 0.0000000E+00 0.0000000E+00 15 F- 0.1160096E-02 0.1155321E-02 0.4775204E-05 0.0000000E+00 16 HPO4-- 0.4168819E-07 0.4168819E-07 0.0000000E+00 0.0000000E+00 Chg. balance for solid moles: 0.5383E-17 Mass of aqueous solution: 0.956937E+03 g Temperature = 100.00 C Pressure = 50.00 bar Mixer frac. = 2.8999900 Log Log Vol Gas or mineral Moles Moles Grams Grams Wt.% (cm3) pyrite 0.3259E-07 -7.487 0.3910E-05 -5.408 0.1635E-03 0.7802E-06 quartz 0.1119E-01 -1.951 0.6723 -0.172 28.10 0.2539 sulfur 0.5364E-01 -1.271 1.720 0.235 71.88 0.8319 topaz 0.2388E-05 -5.622 0.4394E-03 -3.357 0.1837E-01 0.1230E-03 Partial press. Fugacity coef Log fugacity Gas or Mineral Mole fraction or activity Activity coef Log activity pyrite 0.1000E+01 0.1000E+01 1.0000 0.000 quartz 0.1000E+01 0.1000E+01 1.0000 0.000 sulfur 0.1000E+01 0.1000E+01 1.0000 0.000 topaz 0.1000E+01 0.1000E+01 1.0000 0.000 Solid products produced: Mass = 2.392270 g Volume = 1.085911 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. Reactant consumed: 2.8999900 moles log = 0.4624 Original solution: 1000.0103000 g Original solution / Rock added: 344.83 (Water/Rock Ratio), log = 2.5376 Gas composition at saturation ( 3 iterations) ------------------------------------------------- Temperature: 100.0000 deg.C Sat. pressure: 26.1364 bar Gas Mole fraction phi Fugacity Partial P(bar) H2O,gas 0.4432E-01 0.8648 0.1002E+01 0.1158E+01 CO2,gas 0.9363E+00 0.9288 0.2273E+02 0.2447E+02 CH4,gas 0.1858E-07 1.0202 0.4953E-06 0.4855E-06 H2,gas 0.1447E-06 1.0140 0.3835E-05 0.3782E-05 H2S,gas 0.1939E-01 0.9051 0.4586E+00 0.5067E+00 S2,gas 0.2054E-10 1.0000 0.5368E-09 0.5368E-09 CO,gas 0.8927E-09 1.0000 0.2333E-07 0.2333E-07 SO3,gas 0.2232E-28 1.0000 0.5833E-27 0.5833E-27 SO2,gas 0.3344E-11 1.0000 0.8741E-10 0.8741E-10 HF,gas 0.3697E-07 1.0000 0.9662E-06 0.9662E-06 HCl,gas 0.1568E-10 1.0000 0.4098E-09 0.4098E-09 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 145 pyrite -21.25 -21.25 0.00 0.000 0.60662E-11 150 quartz -2.99 -2.99 0.00 0.000 -0.75827E-12 172 sulfur -9.15 -9.15 0.00 0.000 0.00000E+00 214 topaz -16.55 -16.55 0.00 0.000 0.12132E-10 The following gases and minerals are presently EXCLUDED from matrix (Gases and minerals with log(Q/K) less than -5 are not listed below) Gas or Mineral Log K Log Q Log(Q/K) Log(Q/K)/S Affinity Log Fugacity 1 H2O,gas 1.70 0.00 -1.70 -1.698 0.28997E+04 0.001 2 CO2,gas -6.66 -7.00 -0.34 -0.114 0.58462E+03 1.357 3 CH4,gas 4.54 -3.46 -8.00 -2.001 0.13667E+05 -6.305 4 H2,gas 8.00 0.88 -7.12 -4.066 0.12149E+05 -5.416 5 H2S,gas -6.23 -8.27 -2.04 -1.019 0.34790E+04 -0.339 6 S2,gas -7.34 -18.30 -10.97 -1.688 0.18730E+05 -9.270 7 CO,gas 3.21 -6.12 -9.33 -2.871 0.15932E+05 -7.632 8 SO3,gas 17.12 -11.81 -28.93 -7.233 0.49402E+05 -27.234 9 SO2,gas 0.83 -10.93 -11.76 -3.135 0.20075E+05 -10.058 10 HF,gas 0.47 -7.24 -7.71 -3.857 0.13171E+05 -6.015 11 HCl,gas 5.19 -5.90 -11.09 -5.543 0.18930E+05 -9.387 57 coesite -2.38 -2.99 -0.61 -0.204 0.10473E+04 64 cristobalite -2.56 -2.99 -0.43 -0.143 0.73267E+03 68 diaspore 2.87 0.46 -2.41 -0.402 0.41210E+04 69 diamond -3.10 -5.23 -2.13 -0.608 0.36322E+04 86 gibbsite 4.08 0.46 -3.62 -0.517 0.61827E+04 89 graphite -3.55 -5.23 -1.68 -0.481 0.28744E+04 101 kaolinite -1.33 -5.06 -3.73 -0.339 0.63647E+04 149 pyrophyllite -6.18 -11.04 -4.86 -0.304 0.83009E+04 181 tridymite -2.63 -2.99 -0.36 -0.121 0.61998E+03 202 chalcedony -2.80 -2.99 -0.19 -0.062 0.31930E+03 237 boehmite 4.41 0.46 -3.95 -0.658 0.67379E+04 240 fluorite -9.93 -13.32 -3.39 -1.130 0.57901E+04 245 silica-amorphous -2.09 -2.99 -0.90 -0.299 0.15335E+04 Calculations done for 100.0000 Deg. C; 50.0000 bar Next reactant titration increment of: 0.1000000 MOLES Current total amount of reactant added: 2.8999900 MOLES New total amount of reactant added: 2.9999900 MOLES Solids and gases carried Charge balance check after fractionation or titration: TBAL = -.5508E-08 ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ Magmatic gas scrubbing preliminary calculation. React meteoric water with andesite, Getahun et al. 1996 J. Volc. Geotherm. Res. 71(73-107). Table 1 page 82 sample MAF-1 ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ Number of loops used = 12 Loop limit = 400 Temperature = 100.00 C Pressure = 50.00 bar Mixer fraction = 2.9999900 Water: Moles liquid = 0.5260E+02 kg liquid = 0.9475E+00 Moles total = 0.5230E+02 kg total = 0.9422E+00 Activity = 0.9956 Stoichiometric ionic strength = .1450338E+00 Osmotic coef. = 0.9153 True ionic strength = .2159665E-01 Chg. balance for total moles = -.5508E-08 Max. difference allowed = 0.1784E-05 Log Log Log Species(n) Molality Molality Activity Activity Gamma Gamma 1 H+ 0.12617E-03 -3.8990 0.10506E-03 -3.9786 0.83267E+00 -0.0795 2 H2O 0.99560E+00 -0.0019 0.99560E+00 -0.0019 3 Cl- 0.18735E-01 -1.7273 0.15501E-01 -1.8096 0.82736E+00 -0.0823 4 SO4-- 0.27218E-03 -3.5652 0.13795E-03 -3.8603 0.50683E+00 -0.2951 5 HCO3- 0.11748E-02 -2.9301 0.97345E-03 -3.0117 0.82864E+00 -0.0816 6 HS- 0.62267E-04 -4.2057 0.51525E-04 -4.2880 0.82749E+00 -0.0822 7 Al+++ 0.12892E-10 -10.8897 0.28326E-11 -11.5478 0.21972E+00 -0.6581 8 H4SiO4 0.10156E-02 -2.9933 0.10156E-02 -2.9933 0.10000E+01 0.0000 9 Ca++ 0.20754E-06 -6.6829 0.10436E-06 -6.9814 0.50287E+00 -0.2985 10 Mg++ 0.84083E-10 -10.0753 0.42078E-10 -10.3759 0.50043E+00 -0.3007 11 Fe++ 0.32733E-11 -11.4850 0.16399E-11 -11.7852 0.50101E+00 -0.3002 12 K+ 0.14869E-03 -3.8277 0.12324E-03 -3.9092 0.82885E+00 -0.0815 13 Na+ 0.21049E-01 -1.6768 0.17412E-01 -1.7592 0.82719E+00 -0.0824 14 Mn++ 0.21917E-08 -8.6592 0.10990E-08 -8.9590 0.50145E+00 -0.2998 15 F- 0.78969E-03 -3.1025 0.65193E-03 -3.1858 0.82555E+00 -0.0833 16 HPO4-- 0.35875E-10 -10.4452 0.18185E-10 -10.7403 0.50690E+00 -0.2951 17 SiF6-2 0.60735E-13 -13.2166 0.30713E-13 -13.5127 0.50568E+00 -0.2961 18 HSiO3- 0.10958E-07 -7.9603 0.90664E-08 -8.0426 0.82736E+00 -0.0823 19 Ca(HSiO3)+ 0.25992E-13 -13.5852 0.21549E-13 -13.6666 0.82904E+00 -0.0814 20 Mg(HSiO3)+ 0.13042E-16 -16.8847 0.10812E-16 -16.9661 0.82904E+00 -0.0814 21 NaHSiO3,aq 0.25532E-08 -8.5929 0.25532E-08 -8.5929 0.10000E+01 0.0000 22 AlO+ 0.41927E-10 -10.3775 0.34759E-10 -10.4589 0.82904E+00 -0.0814 23 AlOH+2 0.36225E-10 -10.4410 0.18184E-10 -10.7403 0.50197E+00 -0.2993 24 HAlO2,aq 0.65597E-10 -10.1831 0.65597E-10 -10.1831 0.10000E+01 0.0000 25 AlO2- 0.16737E-11 -11.7763 0.13821E-11 -11.8595 0.82577E+00 -0.0831 26 CH4,aq 0.36486E-09 -9.4379 0.35164E-09 -9.4539 0.96378E+00 -0.0160 31 CO,aq 0.16224E-10 -10.7898 0.16224E-10 -10.7898 0.10000E+01 0.0000 32 CO2,aq 0.22774E+00 -0.6426 0.21950E+00 -0.6586 0.96378E+00 -0.0160 33 CO3-2 0.16004E-08 -8.7958 0.80930E-09 -9.0919 0.50568E+00 -0.2961 34 CaCO3,aq 0.10591E-11 -11.9751 0.10591E-11 -11.9751 0.10000E+01 0.0000 35 Ca(HCO3)+ 0.31280E-08 -8.5047 0.25933E-08 -8.5862 0.82904E+00 -0.0814 36 CaCl+ 0.31579E-08 -8.5006 0.26180E-08 -8.5820 0.82904E+00 -0.0814 37 CaCl2,aq 0.96413E-11 -11.0159 0.96413E-11 -11.0159 0.10000E+01 0.0000 38 CaF+ 0.11982E-08 -8.9215 0.99336E-09 -9.0029 0.82904E+00 -0.0814 39 CaOH+ 0.85020E-13 -13.0705 0.70485E-13 -13.1519 0.82904E+00 -0.0814 40 CaSO4,aq 0.45716E-08 -8.3399 0.45716E-08 -8.3399 0.10000E+01 0.0000 41 HCl,aq 0.29842E-06 -6.5252 0.29842E-06 -6.5252 0.10000E+01 0.0000 45 HF,aq 0.46888E-03 -3.3289 0.46888E-03 -3.3289 0.10000E+01 0.0000 46 HF2- 0.12474E-06 -6.9040 0.10321E-06 -6.9863 0.82736E+00 -0.0823 48 FeCl+ 0.48534E-13 -13.3140 0.40237E-13 -13.3954 0.82904E+00 -0.0814 49 FeCl2,aq 0.19747E-19 -19.7045 0.19747E-19 -19.7045 0.10000E+01 0.0000 51 FeF+ 0.65901E-13 -13.1811 0.54635E-13 -13.2625 0.82904E+00 -0.0814 54 FeOH+ 0.61019E-15 -15.2145 0.50587E-15 -15.2960 0.82904E+00 -0.0814 56 FeO+ 0.26890E-19 -19.5704 0.22293E-19 -19.6518 0.82904E+00 -0.0814 60 H2,aq 0.30395E-08 -8.5172 0.29295E-08 -8.5332 0.96378E+00 -0.0160 61 KCl,aq 0.34624E-07 -7.4606 0.34624E-07 -7.4606 0.10000E+01 0.0000 62 KHSO4,aq 0.50501E-11 -11.2967 0.50501E-11 -11.2967 0.10000E+01 0.0000 63 KOH,aq 0.49876E-12 -12.3021 0.49876E-12 -12.3021 0.10000E+01 0.0000 64 KSO4- 0.31886E-06 -6.4964 0.26381E-06 -6.5787 0.82736E+00 -0.0823 65 MgCO3,aq 0.10703E-15 -15.9705 0.10703E-15 -15.9705 0.10000E+01 0.0000 66 Mg(HCO3)+ 0.12887E-11 -11.8899 0.10684E-11 -11.9713 0.82904E+00 -0.0814 67 MgCl+ 0.11540E-11 -11.9378 0.95668E-12 -12.0192 0.82904E+00 -0.0814 68 MgF+ 0.17896E-11 -11.7473 0.14836E-11 -11.8287 0.82904E+00 -0.0814 69 MgOH+ 0.18968E-15 -15.7220 0.15725E-15 -15.8034 0.82904E+00 -0.0814 71 MnF+ 0.14557E-10 -10.8369 0.12068E-10 -10.9184 0.82904E+00 -0.0814 72 MnO,aq 0.10266E-18 -18.9886 0.10266E-18 -18.9886 0.10000E+01 0.0000 73 MnOH+ 0.37988E-13 -13.4204 0.31493E-13 -13.5018 0.82904E+00 -0.0814 78 MnCl+ 0.12654E-09 -9.8978 0.10491E-09 -9.9792 0.82904E+00 -0.0814 79 MnSO4,aq 0.43768E-10 -10.3588 0.43768E-10 -10.3588 0.10000E+01 0.0000 80 NaCl,aq 0.89444E-04 -4.0485 0.89444E-04 -4.0485 0.10000E+01 0.0000 81 NaF,aq 0.26575E-05 -5.5755 0.26575E-05 -5.5755 0.10000E+01 0.0000 82 NaOH,aq 0.70891E-10 -10.1494 0.70891E-10 -10.1494 0.10000E+01 0.0000 84 OH- 0.66304E-08 -8.1785 0.54752E-08 -8.2616 0.82577E+00 -0.0831 91 H2PO3- 0.42461E-19 -19.3720 0.35130E-19 -19.4543 0.82736E+00 -0.0823 92 H3PO4,aq 0.14039E-08 -8.8527 0.14039E-08 -8.8527 0.10000E+01 0.0000 93 H2PO4- 0.42556E-07 -7.3710 0.35244E-07 -7.4529 0.82819E+00 -0.0819 94 PO4-3 0.61012E-18 -18.2146 0.14122E-18 -18.8501 0.23146E+00 -0.6355 95 H4P2O7,aq 0.26098E-19 -19.5834 0.26098E-19 -19.5834 0.10000E+01 0.0000 96 H3P2O7- 0.38333E-17 -17.4164 0.31715E-17 -17.4987 0.82736E+00 -0.0823 97 H2P2O7-2 0.19346E-15 -15.7134 0.97829E-16 -16.0095 0.50568E+00 -0.2961 98 HP2O7-3 0.84530E-18 -18.0730 0.18593E-18 -18.7307 0.21996E+00 -0.6577 100 H2S,aq 0.17359E-01 -1.7605 0.16731E-01 -1.7765 0.96378E+00 -0.0160 101 S2-2 0.39711E-10 -10.4011 0.20081E-10 -10.6972 0.50568E+00 -0.2961 102 S3-2 0.30555E-09 -9.5149 0.15451E-09 -9.8110 0.50568E+00 -0.2961 103 S3- 0.24300E-06 -6.6144 0.20105E-06 -6.6967 0.82736E+00 -0.0823 104 S4-2 0.15530E-08 -8.8088 0.78534E-09 -9.1049 0.50568E+00 -0.2961 105 S5-2 0.52635E-08 -8.2787 0.26617E-08 -8.5748 0.50568E+00 -0.2961 106 SO2,aq 0.20097E-10 -10.6969 0.20097E-10 -10.6969 0.10000E+01 0.0000 107 SO3-2 0.10273E-12 -12.9883 0.52745E-13 -13.2778 0.51345E+00 -0.2895 108 HSO3- 0.41937E-09 -9.3774 0.34697E-09 -9.4597 0.82736E+00 -0.0823 109 HSO4- 0.16830E-04 -4.7739 0.13967E-04 -4.8549 0.82990E+00 -0.0810 111 S2O3-2 0.53848E-07 -7.2688 0.27230E-07 -7.5649 0.50568E+00 -0.2961 112 HS2O3- 0.61827E-09 -9.2088 0.51153E-09 -9.2911 0.82736E+00 -0.0823 113 H2S2O3,aq 0.86155E-12 -12.0647 0.86155E-12 -12.0647 0.10000E+01 0.0000 121 S4O6-2 0.11725E-14 -14.9309 0.59290E-15 -15.2270 0.50568E+00 -0.2961 Charge balance for all species = -.5812E-08 Component Molality Aq.molality ppm log[A(N)/A(H+)**Z] (total) 1 H+ 0.1261748E-03 0.2457169E+00 0.2447322E+03 0.0000 2 H2O 0.1000000E+01 0.5528051E+02 0.9840903E+06 0.0000 3 Cl- 0.1873544E-01 0.1882522E-01 0.6594994E+03 2.1689 4 SO4-- 0.2721757E-03 0.2895411E-03 0.2748410E+02 4.0968 5 HCO3- 0.1174751E-02 0.2289193E+00 0.1380245E+05 0.9669 6 HS- 0.6226736E-04 0.1742223E-01 0.5693582E+03 -0.3094 7 Al+++ 0.1289211E-10 0.1583142E-09 0.4220924E-05 0.3879 8 H4SiO4 0.1015636E-02 0.1015650E-02 0.9646246E+02 -2.9933 9 Ca++ 0.2075352E-06 0.2196017E-06 0.8696874E-02 0.9757 10 Mg++ 0.8408296E-10 0.8831546E-10 0.2121675E-05 -2.4188 11 Fe++ 0.3273258E-11 0.3388304E-11 0.1869836E-06 -3.8281 12 K+ 0.1486935E-03 0.1490470E-03 0.5758954E+01 0.0693 13 Na+ 0.2104890E-01 0.2114100E-01 0.4802665E+03 2.2194 14 Mn++ 0.2191689E-08 0.2376592E-08 0.1290176E-03 -1.0019 15 F- 0.7896944E-03 0.1261486E-02 0.2368164E+02 0.7928 16 HPO4-- 0.3587484E-10 0.4399579E-07 0.4172619E-02 -2.7832 Component Tot moles Aq. moles Solid moles Gas moles 1 H+ 0.3029974E+00 0.2328289E+00 0.7016848E-01 0.0000000E+00 2 H2O 0.5230250E+02 0.5238102E+02 -.7851896E-01 0.0000000E+00 3 Cl- 0.1783783E-01 0.1783783E-01 0.0000000E+00 0.0000000E+00 4 SO4-- 0.1430997E-01 0.2743545E-03 0.1403561E-01 0.0000000E+00 5 HCO3- 0.2169123E+00 0.2169123E+00 0.0000000E+00 0.0000000E+00 6 HS- 0.5861529E-01 0.1650842E-01 0.4210687E-01 0.0000000E+00 7 Al+++ 0.4775352E-05 0.1500106E-09 0.4775202E-05 0.0000000E+00 8 H4SiO4 0.1215302E-01 0.9623784E-03 0.1119064E-01 0.0000000E+00 9 Ca++ 0.2080835E-06 0.2080835E-06 0.0000000E+00 0.0000000E+00 10 Mg++ 0.8368328E-10 0.8368328E-10 0.0000000E+00 0.0000000E+00 11 Fe++ 0.3259227E-07 0.3210586E-11 0.3258906E-07 0.0000000E+00 12 K+ 0.1412294E-03 0.1412294E-03 0.0000000E+00 0.0000000E+00 13 Na+ 0.2003215E-01 0.2003215E-01 0.0000000E+00 0.0000000E+00 14 Mn++ 0.2251939E-08 0.2251939E-08 0.0000000E+00 0.0000000E+00 15 F- 0.1200096E-02 0.1195321E-02 0.4775202E-05 0.0000000E+00 16 HPO4-- 0.4168819E-07 0.4168819E-07 0.0000000E+00 0.0000000E+00 Chg. balance for solid moles: -.3311E-17 Mass of aqueous solution: 0.958916E+03 g Temperature = 100.00 C Pressure = 50.00 bar Mixer frac. = 2.9999900 Log Log Vol Gas or mineral Moles Moles Grams Grams Wt.% (cm3) pyrite 0.3259E-07 -7.487 0.3910E-05 -5.408 0.1581E-03 0.7801E-06 quartz 0.1119E-01 -1.951 0.6722 -0.173 27.19 0.2538 sulfur 0.5614E-01 -1.251 1.800 0.255 72.80 0.8708 topaz 0.2388E-05 -5.622 0.4394E-03 -3.357 0.1777E-01 0.1230E-03 Partial press. Fugacity coef Log fugacity Gas or Mineral Mole fraction or activity Activity coef Log activity pyrite 0.1000E+01 0.1000E+01 1.0000 0.000 quartz 0.1000E+01 0.1000E+01 1.0000 0.000 sulfur 0.1000E+01 0.1000E+01 1.0000 0.000 topaz 0.1000E+01 0.1000E+01 1.0000 0.000 Solid products produced: Mass = 2.472560 g Volume = 1.124764 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. Reactant consumed: 2.9999900 moles log = 0.4771 Original solution: 1000.0103000 g Original solution / Rock added: 333.34 (Water/Rock Ratio), log = 2.5229 Gas composition at saturation ( 3 iterations) ------------------------------------------------- Temperature: 100.0000 deg.C Sat. pressure: 27.0197 bar Gas Mole fraction phi Fugacity Partial P(bar) H2O,gas 0.4308E-01 0.8605 0.1002E+01 0.1164E+01 CO2,gas 0.9381E+00 0.9265 0.2348E+02 0.2535E+02 CH4,gas 0.1877E-07 1.0208 0.5176E-06 0.5071E-06 H2,gas 0.1403E-06 1.0145 0.3846E-05 0.3791E-05 H2S,gas 0.1887E-01 0.9021 0.4599E+00 0.5098E+00 S2,gas 0.1987E-10 1.0000 0.5368E-09 0.5368E-09 CO,gas 0.8948E-09 1.0000 0.2418E-07 0.2418E-07 SO3,gas 0.2140E-28 1.0000 0.5783E-27 0.5783E-27 SO2,gas 0.3216E-11 1.0000 0.8691E-10 0.8691E-10 HF,gas 0.4261E-07 1.0000 0.1151E-05 0.1151E-05 HCl,gas 0.1949E-10 1.0000 0.5266E-09 0.5266E-09 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 145 pyrite -21.25 -21.25 0.00 0.000 0.00000E+00 150 quartz -2.99 -2.99 0.00 0.000 0.00000E+00 172 sulfur -9.15 -9.15 0.00 0.000 -0.30331E-11 214 topaz -16.55 -16.55 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 1.70 0.00 -1.70 -1.698 0.28998E+04 0.001 2 CO2,gas -6.66 -6.99 -0.33 -0.109 0.56040E+03 1.371 3 CH4,gas 4.54 -3.44 -7.98 -1.996 0.13634E+05 -6.286 4 H2,gas 8.00 0.89 -7.11 -4.065 0.12147E+05 -5.415 5 H2S,gas -6.23 -8.27 -2.04 -1.018 0.34769E+04 -0.337 6 S2,gas -7.34 -18.30 -10.97 -1.688 0.18730E+05 -9.270 7 CO,gas 3.21 -6.10 -9.32 -2.866 0.15906E+05 -7.617 8 SO3,gas 17.12 -11.82 -28.94 -7.234 0.49409E+05 -27.238 9 SO2,gas 0.83 -10.93 -11.76 -3.136 0.20080E+05 -10.061 10 HF,gas 0.47 -7.16 -7.64 -3.819 0.13041E+05 -5.939 11 HCl,gas 5.19 -5.79 -10.98 -5.489 0.18744E+05 -9.279 57 coesite -2.38 -2.99 -0.61 -0.204 0.10473E+04 64 cristobalite -2.56 -2.99 -0.43 -0.143 0.73267E+03 68 diaspore 2.87 0.38 -2.49 -0.415 0.42510E+04 69 diamond -3.10 -5.21 -2.11 -0.603 0.36036E+04 86 gibbsite 4.08 0.38 -3.70 -0.528 0.63128E+04 89 graphite -3.55 -5.21 -1.67 -0.476 0.28459E+04 101 kaolinite -1.33 -5.21 -3.88 -0.353 0.66249E+04 181 tridymite -2.63 -2.99 -0.36 -0.121 0.61998E+03 202 chalcedony -2.80 -2.99 -0.19 -0.062 0.31930E+03 237 boehmite 4.41 0.38 -4.02 -0.670 0.68680E+04 240 fluorite -9.93 -13.35 -3.42 -1.141 0.58435E+04 245 silica-amorphous -2.09 -2.99 -0.90 -0.299 0.15335E+04 Calculations done for 100.0000 Deg. C; 50.0000 bar Next reactant titration increment of: 0.1000000 MOLES Current total amount of reactant added: 2.9999900 MOLES New total amount of reactant added: 3.0999900 MOLES Solids and gases carried Charge balance check after fractionation or titration: TBAL = -.5508E-08 ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ Magmatic gas scrubbing preliminary calculation. React meteoric water with andesite, Getahun et al. 1996 J. Volc. Geotherm. Res. 71(73-107). Table 1 page 82 sample MAF-1 ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ Number of loops used = 12 Loop limit = 400 Temperature = 100.00 C Pressure = 50.00 bar Mixer fraction = 3.0999900 Water: Moles liquid = 0.5269E+02 kg liquid = 0.9492E+00 Moles total = 0.5238E+02 kg total = 0.9437E+00 Activity = 0.9955 Stoichiometric ionic strength = .1487936E+00 Osmotic coef. = 0.9168 True ionic strength = .2147705E-01 Chg. balance for total moles = -.5508E-08 Max. difference allowed = 0.1843E-05 Log Log Log Species(n) Molality Molality Activity Activity Gamma Gamma 1 H+ 0.16710E-03 -3.7770 0.13917E-03 -3.8565 0.83284E+00 -0.0794 2 H2O 0.99547E+00 -0.0020 0.99547E+00 -0.0020 3 Cl- 0.19321E-01 -1.7140 0.15990E-01 -1.7962 0.82755E+00 -0.0822 4 SO4-- 0.15105E-03 -3.8209 0.76659E-04 -4.1154 0.50750E+00 -0.2946 5 HCO3- 0.91493E-03 -3.0386 0.75832E-03 -3.1201 0.82883E+00 -0.0815 6 HS- 0.47384E-04 -4.3244 0.39219E-04 -4.4065 0.82768E+00 -0.0821 7 Al+++ 0.24494E-10 -10.6109 0.53993E-11 -11.2677 0.22044E+00 -0.6567 8 H4SiO4 0.10154E-02 -2.9934 0.10154E-02 -2.9934 0.10000E+01 0.0000 9 Ca++ 0.20976E-06 -6.6783 0.10563E-06 -6.9762 0.50357E+00 -0.2979 10 Mg++ 0.84305E-10 -10.0741 0.42248E-10 -10.3742 0.50113E+00 -0.3000 11 Fe++ 0.56885E-11 -11.2450 0.28540E-11 -11.5445 0.50171E+00 -0.2995 12 K+ 0.14857E-03 -3.8281 0.12317E-03 -3.9095 0.82904E+00 -0.0814 13 Na+ 0.21010E-01 -1.6776 0.17383E-01 -1.7599 0.82739E+00 -0.0823 14 Mn++ 0.22031E-08 -8.6570 0.11063E-08 -8.9561 0.50215E+00 -0.2992 15 F- 0.72687E-03 -3.1385 0.60022E-03 -3.2217 0.82575E+00 -0.0831 16 HPO4-- 0.26734E-10 -10.5729 0.13570E-10 -10.8674 0.50758E+00 -0.2945 17 SiF6-2 0.11376E-12 -12.9440 0.57606E-13 -13.2395 0.50637E+00 -0.2955 18 HSiO3- 0.82695E-08 -8.0825 0.68435E-08 -8.1647 0.82755E+00 -0.0822 19 Ca(HSiO3)+ 0.19852E-13 -13.7022 0.16462E-13 -13.7835 0.82923E+00 -0.0813 20 Mg(HSiO3)+ 0.98819E-17 -17.0052 0.81944E-17 -17.0865 0.82923E+00 -0.0813 21 NaHSiO3,aq 0.19240E-08 -8.7158 0.19240E-08 -8.7158 0.10000E+01 0.0000 22 AlO+ 0.45529E-10 -10.3417 0.37754E-10 -10.4230 0.82923E+00 -0.0813 23 AlOH+2 0.52047E-10 -10.2836 0.26162E-10 -10.5823 0.50267E+00 -0.2987 24 HAlO2,aq 0.53780E-10 -10.2694 0.53780E-10 -10.2694 0.10000E+01 0.0000 25 AlO2- 0.10356E-11 -11.9848 0.85541E-12 -12.0678 0.82598E+00 -0.0830 26 CH4,aq 0.38954E-09 -9.4094 0.37514E-09 -9.4258 0.96304E+00 -0.0164 31 CO,aq 0.16885E-10 -10.7725 0.16885E-10 -10.7725 0.10000E+01 0.0000 32 CO2,aq 0.23522E+00 -0.6285 0.22653E+00 -0.6449 0.96304E+00 -0.0164 33 CO3-2 0.93991E-09 -9.0269 0.47594E-09 -9.3224 0.50637E+00 -0.2955 34 CaCO3,aq 0.63036E-12 -12.2004 0.63036E-12 -12.2004 0.10000E+01 0.0000 35 Ca(HCO3)+ 0.24657E-08 -8.6081 0.20446E-08 -8.6894 0.82923E+00 -0.0813 36 CaCl+ 0.32961E-08 -8.4820 0.27332E-08 -8.5633 0.82923E+00 -0.0813 37 CaCl2,aq 0.10383E-10 -10.9837 0.10383E-10 -10.9837 0.10000E+01 0.0000 38 CaF+ 0.11163E-08 -8.9522 0.92564E-09 -9.0336 0.82923E+00 -0.0813 39 CaOH+ 0.64937E-13 -13.1875 0.53847E-13 -13.2688 0.82923E+00 -0.0813 40 CaSO4,aq 0.25713E-08 -8.5899 0.25713E-08 -8.5899 0.10000E+01 0.0000 41 HCl,aq 0.40777E-06 -6.3896 0.40777E-06 -6.3896 0.10000E+01 0.0000 45 HF,aq 0.57183E-03 -3.2427 0.57183E-03 -3.2427 0.10000E+01 0.0000 46 HF2- 0.14003E-06 -6.8538 0.11588E-06 -6.9360 0.82755E+00 -0.0822 48 FeCl+ 0.87107E-13 -13.0599 0.72231E-13 -13.1413 0.82923E+00 -0.0813 49 FeCl2,aq 0.36566E-19 -19.4369 0.36566E-19 -19.4369 0.10000E+01 0.0000 51 FeF+ 0.10557E-12 -12.9765 0.87539E-13 -13.0578 0.82923E+00 -0.0813 54 FeOH+ 0.80137E-15 -15.0962 0.66452E-15 -15.1775 0.82923E+00 -0.0813 56 FeO+ 0.35170E-19 -19.4538 0.29164E-19 -19.5351 0.82923E+00 -0.0813 60 H2,aq 0.30670E-08 -8.5133 0.29536E-08 -8.5296 0.96304E+00 -0.0164 61 KCl,aq 0.35696E-07 -7.4474 0.35696E-07 -7.4474 0.10000E+01 0.0000 62 KHSO4,aq 0.37154E-11 -11.4300 0.37154E-11 -11.4300 0.10000E+01 0.0000 63 KOH,aq 0.37626E-12 -12.4245 0.37626E-12 -12.4245 0.10000E+01 0.0000 64 KSO4- 0.17706E-06 -6.7519 0.14652E-06 -6.8341 0.82755E+00 -0.0822 65 MgCO3,aq 0.63197E-16 -16.1993 0.63197E-16 -16.1993 0.10000E+01 0.0000 66 Mg(HCO3)+ 0.10077E-11 -11.9967 0.83563E-12 -12.0780 0.82923E+00 -0.0813 67 MgCl+ 0.11949E-11 -11.9227 0.99082E-12 -12.0040 0.82923E+00 -0.0813 68 MgF+ 0.16539E-11 -11.7815 0.13714E-11 -11.8628 0.82923E+00 -0.0813 69 MgOH+ 0.14372E-15 -15.8425 0.11918E-15 -15.9238 0.82923E+00 -0.0813 71 MnF+ 0.13488E-10 -10.8701 0.11184E-10 -10.9514 0.82923E+00 -0.0813 72 MnO,aq 0.58885E-19 -19.2300 0.58885E-19 -19.2300 0.10000E+01 0.0000 73 MnOH+ 0.28856E-13 -13.5398 0.23929E-13 -13.6211 0.82923E+00 -0.0813 78 MnCl+ 0.13136E-09 -9.8815 0.10893E-09 -9.9629 0.82923E+00 -0.0813 79 MnSO4,aq 0.24483E-10 -10.6111 0.24483E-10 -10.6111 0.10000E+01 0.0000 80 NaCl,aq 0.92113E-04 -4.0357 0.92113E-04 -4.0357 0.10000E+01 0.0000 81 NaF,aq 0.24427E-05 -5.6121 0.24427E-05 -5.6121 0.10000E+01 0.0000 82 NaOH,aq 0.53423E-10 -10.2723 0.53423E-10 -10.2723 0.10000E+01 0.0000 84 OH- 0.50035E-08 -8.3007 0.41328E-08 -8.3838 0.82598E+00 -0.0830 91 H2PO3- 0.42312E-19 -19.3735 0.35016E-19 -19.4557 0.82755E+00 -0.0822 92 H3PO4,aq 0.18381E-08 -8.7356 0.18381E-08 -8.7356 0.10000E+01 0.0000 93 H2PO4- 0.42054E-07 -7.3762 0.34837E-07 -7.4580 0.82838E+00 -0.0818 94 PO4-3 0.34266E-18 -18.4651 0.79553E-19 -19.0993 0.23217E+00 -0.6342 95 H4P2O7,aq 0.44748E-19 -19.3492 0.44748E-19 -19.3492 0.10000E+01 0.0000 96 H3P2O7- 0.49606E-17 -17.3045 0.41051E-17 -17.3867 0.82755E+00 -0.0822 97 H2P2O7-2 0.18878E-15 -15.7240 0.95594E-16 -16.0196 0.50637E+00 -0.2955 98 HP2O7-3 0.62153E-18 -18.2065 0.13716E-18 -18.8628 0.22067E+00 -0.6562 100 H2S,aq 0.17516E-01 -1.7566 0.16869E-01 -1.7729 0.96304E+00 -0.0164 101 S2-2 0.22787E-10 -10.6423 0.11539E-10 -10.9378 0.50637E+00 -0.2955 102 S3-2 0.17534E-09 -9.7561 0.88784E-10 -10.0517 0.50637E+00 -0.2955 103 S3- 0.18416E-06 -6.7348 0.15240E-06 -6.8170 0.82755E+00 -0.0822 104 S4-2 0.89118E-09 -9.0500 0.45127E-09 -9.3456 0.50637E+00 -0.2955 105 S5-2 0.30204E-08 -8.5199 0.15294E-08 -8.8155 0.50637E+00 -0.2955 106 SO2,aq 0.19764E-10 -10.7041 0.19764E-10 -10.7041 0.10000E+01 0.0000 107 SO3-2 0.57493E-13 -13.2404 0.29558E-13 -13.5293 0.51411E+00 -0.2889 108 HSO3- 0.31122E-09 -9.5069 0.25756E-09 -9.5891 0.82755E+00 -0.0822 109 HSO4- 0.12386E-04 -4.9071 0.10281E-04 -4.9879 0.83008E+00 -0.0809 111 S2O3-2 0.30135E-07 -7.5209 0.15259E-07 -7.8165 0.50637E+00 -0.2955 112 HS2O3- 0.45883E-09 -9.3383 0.37971E-09 -9.4205 0.82755E+00 -0.0822 113 H2S2O3,aq 0.84715E-12 -12.0720 0.84715E-12 -12.0720 0.10000E+01 0.0000 121 S4O6-2 0.63990E-15 -15.1939 0.32402E-15 -15.4894 0.50637E+00 -0.2955 Charge balance for all species = -.5802E-08 Component Molality Aq.molality ppm log[A(N)/A(H+)**Z] (total) 1 H+ 0.1671009E-03 0.2534912E+00 0.2523938E+03 0.0000 2 H2O 0.1000000E+01 0.5527303E+02 0.9836394E+06 0.0000 3 Cl- 0.1932146E-01 0.1941402E-01 0.6799071E+03 2.0603 4 SO4-- 0.1510508E-03 0.1637651E-03 0.1554005E+02 3.5975 5 HCO3- 0.9149253E-03 0.2361376E+00 0.1423307E+05 0.7363 6 HS- 0.4738377E-04 0.1756391E-01 0.5738030E+03 -0.5500 7 Al+++ 0.2449390E-10 0.1768849E-09 0.4714526E-05 0.3017 8 H4SiO4 0.1015358E-02 0.1015368E-02 0.9640459E+02 -2.9934 9 Ca++ 0.2097590E-06 0.2192194E-06 0.8678930E-02 0.7367 10 Mg++ 0.8430502E-10 0.8816171E-10 0.2117297E-05 -2.6613 11 Fe++ 0.5688547E-11 0.5882022E-11 0.3244947E-06 -3.8316 12 K+ 0.1485747E-03 0.1487875E-03 0.5747071E+01 -0.0530 13 Na+ 0.2100964E-01 0.2110420E-01 0.4792755E+03 2.0966 14 Mn++ 0.2203095E-08 0.2372455E-08 0.1287514E-03 -1.2432 15 F- 0.7268730E-03 0.1301431E-02 0.2442363E+02 0.6348 16 HPO4-- 0.2673385E-10 0.4391919E-07 0.4164010E-02 -3.1545 Component Tot moles Aq. moles Solid moles Gas moles 1 H+ 0.3137649E+00 0.2406144E+00 0.7315052E-01 0.0000000E+00 2 H2O 0.5238437E+02 0.5246527E+02 -.8090177E-01 0.0000000E+00 3 Cl- 0.1842783E-01 0.1842783E-01 0.0000000E+00 0.0000000E+00 4 SO4-- 0.1478747E-01 0.1554462E-03 0.1463202E-01 0.0000000E+00 5 HCO3- 0.2241423E+00 0.2241423E+00 0.0000000E+00 0.0000000E+00 6 HS- 0.6056779E-01 0.1667170E-01 0.4389610E-01 0.0000000E+00 7 Al+++ 0.4775352E-05 0.1678995E-09 0.4775184E-05 0.0000000E+00 8 H4SiO4 0.1215302E-01 0.9637896E-03 0.1118923E-01 0.0000000E+00 9 Ca++ 0.2080835E-06 0.2080835E-06 0.0000000E+00 0.0000000E+00 10 Mg++ 0.8368328E-10 0.8368328E-10 0.0000000E+00 0.0000000E+00 11 Fe++ 0.3259227E-07 0.5583227E-11 0.3258669E-07 0.0000000E+00 12 K+ 0.1412294E-03 0.1412294E-03 0.0000000E+00 0.0000000E+00 13 Na+ 0.2003215E-01 0.2003215E-01 0.0000000E+00 0.0000000E+00 14 Mn++ 0.2251939E-08 0.2251939E-08 0.0000000E+00 0.0000000E+00 15 F- 0.1240096E-02 0.1235321E-02 0.4775184E-05 0.0000000E+00 16 HPO4-- 0.4168819E-07 0.4168819E-07 0.0000000E+00 0.0000000E+00 Chg. balance for solid moles: 0.1161E-16 Mass of aqueous solution: 0.960898E+03 g Temperature = 100.00 C Pressure = 50.00 bar Mixer frac. = 3.0999900 Log Log Vol Gas or mineral Moles Moles Grams Grams Wt.% (cm3) pyrite 0.3259E-07 -7.487 0.3910E-05 -5.408 0.1534E-03 0.7801E-06 quartz 0.1119E-01 -1.951 0.6721 -0.173 26.37 0.2538 sulfur 0.5853E-01 -1.233 1.876 0.273 73.61 0.9078 topaz 0.2388E-05 -5.622 0.4394E-03 -3.357 0.1724E-01 0.1230E-03 Partial press. Fugacity coef Log fugacity Gas or Mineral Mole fraction or activity Activity coef Log activity pyrite 0.1000E+01 0.1000E+01 1.0000 0.000 quartz 0.1000E+01 0.1000E+01 1.0000 0.000 sulfur 0.1000E+01 0.1000E+01 1.0000 0.000 topaz 0.1000E+01 0.1000E+01 1.0000 0.000 Solid products produced: Mass = 2.548958 g Volume = 1.161734 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. Reactant consumed: 3.0999900 moles log = 0.4914 Original solution: 1000.0103000 g Original solution / Rock added: 322.59 (Water/Rock Ratio), log = 2.5086 Gas composition at saturation ( 3 iterations) ------------------------------------------------- Temperature: 100.0000 deg.C Sat. pressure: 27.9080 bar Gas Mole fraction phi Fugacity Partial P(bar) H2O,gas 0.4191E-01 0.8561 0.1001E+01 0.1170E+01 CO2,gas 0.9396E+00 0.9242 0.2424E+02 0.2622E+02 CH4,gas 0.1937E-07 1.0214 0.5522E-06 0.5406E-06 H2,gas 0.1369E-06 1.0150 0.3878E-05 0.3821E-05 H2S,gas 0.1848E-01 0.8991 0.4637E+00 0.5157E+00 S2,gas 0.1923E-10 1.0000 0.5368E-09 0.5368E-09 CO,gas 0.9016E-09 1.0000 0.2516E-07 0.2516E-07 SO3,gas 0.2021E-28 1.0000 0.5639E-27 0.5639E-27 SO2,gas 0.3062E-11 1.0000 0.8547E-10 0.8547E-10 HF,gas 0.5031E-07 1.0000 0.1404E-05 0.1404E-05 HCl,gas 0.2578E-10 1.0000 0.7195E-09 0.7195E-09 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 145 pyrite -21.25 -21.25 0.00 0.000 0.00000E+00 150 quartz -2.99 -2.99 0.00 0.000 0.00000E+00 172 sulfur -9.15 -9.15 0.00 0.000 0.00000E+00 214 topaz -16.55 -16.55 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 1.70 0.00 -1.70 -1.698 0.28999E+04 0.001 2 CO2,gas -6.66 -6.97 -0.31 -0.105 0.53701E+03 1.384 3 CH4,gas 4.54 -3.41 -7.96 -1.989 0.13586E+05 -6.258 4 H2,gas 8.00 0.89 -7.11 -4.063 0.12141E+05 -5.411 5 H2S,gas -6.23 -8.26 -2.03 -1.016 0.34708E+04 -0.334 6 S2,gas -7.34 -18.30 -10.97 -1.688 0.18730E+05 -9.270 7 CO,gas 3.21 -6.08 -9.30 -2.861 0.15876E+05 -7.599 8 SO3,gas 17.12 -11.83 -28.95 -7.237 0.49427E+05 -27.249 9 SO2,gas 0.83 -10.94 -11.77 -3.138 0.20092E+05 -10.068 10 HF,gas 0.47 -7.08 -7.55 -3.776 0.12894E+05 -5.853 11 HCl,gas 5.19 -5.65 -10.84 -5.421 0.18512E+05 -9.143 57 coesite -2.38 -2.99 -0.61 -0.204 0.10473E+04 64 cristobalite -2.56 -2.99 -0.43 -0.143 0.73267E+03 68 diaspore 2.87 0.30 -2.58 -0.429 0.43983E+04 69 diamond -3.10 -5.19 -2.09 -0.597 0.35678E+04 86 gibbsite 4.08 0.30 -3.78 -0.541 0.64602E+04 89 graphite -3.55 -5.19 -1.65 -0.470 0.28101E+04 101 kaolinite -1.33 -5.39 -4.05 -0.368 0.69196E+04 181 tridymite -2.63 -2.99 -0.36 -0.121 0.61998E+03 202 chalcedony -2.80 -2.99 -0.19 -0.062 0.31930E+03 237 boehmite 4.41 0.30 -4.11 -0.685 0.70152E+04 240 fluorite -9.93 -13.42 -3.49 -1.163 0.59572E+04 245 silica-amorphous -2.09 -2.99 -0.90 -0.299 0.15335E+04 Calculations done for 100.0000 Deg. C; 50.0000 bar Next reactant titration increment of: 0.1000000 MOLES Current total amount of reactant added: 3.0999900 MOLES New total amount of reactant added: 3.1999900 MOLES Solids and gases carried Charge balance check after fractionation or titration: TBAL = -.5508E-08 ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ Magmatic gas scrubbing preliminary calculation. React meteoric water with andesite, Getahun et al. 1996 J. Volc. Geotherm. Res. 71(73-107). Table 1 page 82 sample MAF-1 ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ Number of loops used = 11 Loop limit = 400 Temperature = 100.00 C Pressure = 50.00 bar Mixer fraction = 3.1999900 Water: Moles liquid = 0.5278E+02 kg liquid = 0.9509E+00 Moles total = 0.5247E+02 kg total = 0.9452E+00 Activity = 0.9953 Stoichiometric ionic strength = .1526780E+00 Osmotic coef. = 0.9178 True ionic strength = .2143073E-01 Chg. balance for total moles = -.5508E-08 Max. difference allowed = 0.1902E-05 Log Log Log Species(n) Molality Molality Activity Activity Gamma Gamma 1 H+ 0.24206E-03 -3.6161 0.20160E-03 -3.6955 0.83284E+00 -0.0794 2 H2O 0.99533E+00 -0.0020 0.99533E+00 -0.0020 3 Cl- 0.19905E-01 -1.7010 0.16473E-01 -1.7832 0.82756E+00 -0.0822 4 SO4-- 0.68826E-04 -4.1622 0.34945E-04 -4.4566 0.50772E+00 -0.2944 5 HCO3- 0.65102E-03 -3.1864 0.53959E-03 -3.2679 0.82884E+00 -0.0815 6 HS- 0.33192E-04 -4.4790 0.27472E-04 -4.5611 0.82769E+00 -0.0821 7 Al+++ 0.59644E-10 -10.2244 0.13163E-10 -10.8806 0.22069E+00 -0.6562 8 H4SiO4 0.10151E-02 -2.9935 0.10151E-02 -2.9935 0.10000E+01 0.0000 9 Ca++ 0.21148E-06 -6.6747 0.10654E-06 -6.9725 0.50379E+00 -0.2978 10 Mg++ 0.84623E-10 -10.0725 0.42426E-10 -10.3724 0.50136E+00 -0.2999 11 Fe++ 0.11759E-10 -10.9296 0.59020E-11 -11.2290 0.50194E+00 -0.2993 12 K+ 0.14841E-03 -3.8285 0.12304E-03 -3.9100 0.82904E+00 -0.0814 13 Na+ 0.20971E-01 -1.6784 0.17351E-01 -1.7607 0.82740E+00 -0.0823 14 Mn++ 0.22097E-08 -8.6557 0.11101E-08 -8.9546 0.50238E+00 -0.2990 15 F- 0.62574E-03 -3.2036 0.51671E-03 -3.2868 0.82576E+00 -0.0831 16 HPO4-- 0.18079E-10 -10.7428 0.91806E-11 -11.0371 0.50780E+00 -0.2943 17 SiF6-2 0.20386E-12 -12.6907 0.10327E-12 -12.9860 0.50659E+00 -0.2953 18 HSiO3- 0.57078E-08 -8.2435 0.47236E-08 -8.3257 0.82756E+00 -0.0822 19 Ca(HSiO3)+ 0.13821E-13 -13.8594 0.11461E-13 -13.9408 0.82923E+00 -0.0813 20 Mg(HSiO3)+ 0.68496E-17 -17.1643 0.56799E-17 -17.2457 0.82923E+00 -0.0813 21 NaHSiO3,aq 0.13256E-08 -8.8776 0.13256E-08 -8.8776 0.10000E+01 0.0000 22 AlO+ 0.52887E-10 -10.2767 0.43855E-10 -10.3580 0.82923E+00 -0.0813 23 AlOH+2 0.87541E-10 -10.0578 0.44024E-10 -10.3563 0.50289E+00 -0.2985 24 HAlO2,aq 0.43120E-10 -10.3653 0.43120E-10 -10.3653 0.10000E+01 0.0000 25 AlO2- 0.57321E-12 -12.2417 0.47346E-12 -12.3247 0.82598E+00 -0.0830 26 CH4,aq 0.42621E-09 -9.3704 0.41013E-09 -9.3871 0.96229E+00 -0.0167 31 CO,aq 0.17665E-10 -10.7529 0.17665E-10 -10.7529 0.10000E+01 0.0000 32 CO2,aq 0.24268E+00 -0.6150 0.23353E+00 -0.6317 0.96229E+00 -0.0167 33 CO3-2 0.46149E-09 -9.3358 0.23378E-09 -9.6312 0.50659E+00 -0.2953 34 CaCO3,aq 0.31232E-12 -12.5054 0.31232E-12 -12.5054 0.10000E+01 0.0000 35 Ca(HCO3)+ 0.17697E-08 -8.7521 0.14675E-08 -8.8334 0.82923E+00 -0.0813 36 CaCl+ 0.34252E-08 -8.4653 0.28402E-08 -8.5466 0.82923E+00 -0.0813 37 CaCl2,aq 0.11116E-10 -10.9541 0.11116E-10 -10.9541 0.10000E+01 0.0000 38 CaF+ 0.96928E-09 -9.0136 0.80375E-09 -9.0949 0.82923E+00 -0.0813 39 CaOH+ 0.45209E-13 -13.3448 0.37489E-13 -13.4261 0.82923E+00 -0.0813 40 CaSO4,aq 0.11823E-08 -8.9273 0.11823E-08 -8.9273 0.10000E+01 0.0000 41 HCl,aq 0.60855E-06 -6.2157 0.60855E-06 -6.2157 0.10000E+01 0.0000 45 HF,aq 0.71310E-03 -3.1468 0.71310E-03 -3.1468 0.10000E+01 0.0000 46 HF2- 0.15033E-06 -6.8230 0.12440E-06 -6.9052 0.82756E+00 -0.0822 48 FeCl+ 0.18558E-12 -12.7315 0.15389E-12 -12.8128 0.82923E+00 -0.0813 49 FeCl2,aq 0.80259E-19 -19.0955 0.80259E-19 -19.0955 0.10000E+01 0.0000 51 FeF+ 0.18794E-12 -12.7260 0.15584E-12 -12.8073 0.82923E+00 -0.0813 52 FeF+2 0.16162E-19 -19.7915 0.81278E-20 -20.0900 0.50289E+00 -0.2985 54 FeOH+ 0.11439E-14 -14.9416 0.94852E-15 -15.0230 0.82923E+00 -0.0813 56 FeO+ 0.49836E-19 -19.3025 0.41325E-19 -19.3838 0.82923E+00 -0.0813 60 H2,aq 0.31146E-08 -8.5066 0.29971E-08 -8.5233 0.96229E+00 -0.0167 61 KCl,aq 0.36735E-07 -7.4349 0.36735E-07 -7.4349 0.10000E+01 0.0000 62 KHSO4,aq 0.24508E-11 -11.6107 0.24508E-11 -11.6107 0.10000E+01 0.0000 63 KOH,aq 0.25942E-12 -12.5860 0.25942E-12 -12.5860 0.10000E+01 0.0000 64 KSO4- 0.80622E-07 -7.0935 0.66720E-07 -7.1757 0.82756E+00 -0.0822 65 MgCO3,aq 0.31174E-16 -16.5062 0.31174E-16 -16.5062 0.10000E+01 0.0000 66 Mg(HCO3)+ 0.72007E-12 -12.1426 0.59710E-12 -12.2239 0.82923E+00 -0.0813 67 MgCl+ 0.12362E-11 -11.9079 0.10251E-11 -11.9892 0.82923E+00 -0.0813 68 MgF+ 0.14298E-11 -11.8447 0.11856E-11 -11.9261 0.82923E+00 -0.0813 69 MgOH+ 0.99619E-16 -16.0017 0.82607E-16 -16.0830 0.82923E+00 -0.0813 71 MnF+ 0.11651E-10 -10.9336 0.96614E-11 -11.0150 0.82923E+00 -0.0813 72 MnO,aq 0.28154E-19 -19.5505 0.28154E-19 -19.5505 0.10000E+01 0.0000 73 MnOH+ 0.19986E-13 -13.6993 0.16573E-13 -13.7806 0.82923E+00 -0.0813 78 MnCl+ 0.13580E-09 -9.8671 0.11261E-09 -9.9484 0.82923E+00 -0.0813 79 MnSO4,aq 0.11199E-10 -10.9508 0.11199E-10 -10.9508 0.10000E+01 0.0000 80 NaCl,aq 0.94723E-04 -4.0235 0.94723E-04 -4.0235 0.10000E+01 0.0000 81 NaF,aq 0.20990E-05 -5.6780 0.20990E-05 -5.6780 0.10000E+01 0.0000 82 NaOH,aq 0.36806E-10 -10.4341 0.36806E-10 -10.4341 0.10000E+01 0.0000 84 OH- 0.34535E-08 -8.4617 0.28526E-08 -8.5448 0.82598E+00 -0.0830 91 H2PO3- 0.42084E-19 -19.3759 0.34827E-19 -19.4581 0.82756E+00 -0.0822 92 H3PO4,aq 0.26096E-08 -8.5834 0.26096E-08 -8.5834 0.10000E+01 0.0000 93 H2PO4- 0.41215E-07 -7.3849 0.34142E-07 -7.4667 0.82839E+00 -0.0818 94 PO4-3 0.15986E-18 -18.7963 0.37155E-19 -19.4300 0.23242E+00 -0.6337 95 H4P2O7,aq 0.90204E-19 -19.0448 0.90204E-19 -19.0448 0.10000E+01 0.0000 96 H3P2O7- 0.69029E-17 -17.1610 0.57126E-17 -17.2432 0.82756E+00 -0.0822 97 H2P2O7-2 0.18127E-15 -15.7417 0.91831E-16 -16.0370 0.50659E+00 -0.2953 98 HP2O7-3 0.41168E-18 -18.3854 0.90955E-19 -19.0412 0.22093E+00 -0.6557 100 H2S,aq 0.17788E-01 -1.7499 0.17117E-01 -1.7666 0.96229E+00 -0.0167 101 S2-2 0.11014E-10 -10.9580 0.55797E-11 -11.2534 0.50659E+00 -0.2953 102 S3-2 0.84749E-10 -10.0719 0.42933E-10 -10.3672 0.50659E+00 -0.2953 103 S3- 0.12806E-06 -6.8926 0.10598E-06 -6.9748 0.82756E+00 -0.0822 104 S4-2 0.43075E-09 -9.3658 0.21822E-09 -9.6611 0.50659E+00 -0.2953 105 S5-2 0.14599E-08 -8.8357 0.73957E-09 -9.1310 0.50659E+00 -0.2953 106 SO2,aq 0.19189E-10 -10.7169 0.19189E-10 -10.7169 0.10000E+01 0.0000 107 SO3-2 0.26587E-13 -13.5753 0.13674E-13 -13.8641 0.51432E+00 -0.2888 108 HSO3- 0.20857E-09 -9.6808 0.17260E-09 -9.7630 0.82756E+00 -0.0822 109 HSO4- 0.81790E-05 -5.0873 0.67893E-05 -5.1682 0.83008E+00 -0.0809 111 S2O3-2 0.13935E-07 -7.8559 0.70594E-08 -8.1512 0.50659E+00 -0.2953 112 HS2O3- 0.30749E-09 -9.5122 0.25447E-09 -9.5944 0.82756E+00 -0.0822 113 H2S2O3,aq 0.82240E-12 -12.0849 0.82240E-12 -12.0849 0.10000E+01 0.0000 121 S4O6-2 0.28309E-15 -15.5481 0.14341E-15 -15.8434 0.50659E+00 -0.2953 Charge balance for all species = -.5792E-08 Component Molality Aq.molality ppm log[A(N)/A(H+)**Z] (total) 1 H+ 0.2420632E-03 0.2614330E+00 0.2602155E+03 0.0000 2 H2O 0.1000000E+01 0.5526557E+02 0.9831828E+06 0.0000 3 Cl- 0.1990545E-01 0.2000083E-01 0.7002273E+03 1.9123 4 SO4-- 0.6882648E-04 0.7718240E-04 0.7321604E+01 2.9344 5 HCO3- 0.6510161E-03 0.2433316E+00 0.1466186E+05 0.4276 6 HS- 0.3319156E-04 0.1782141E-01 0.5820238E+03 -0.8656 7 Al+++ 0.5964396E-10 0.2437649E-09 0.6494943E-05 0.2059 8 H4SiO4 0.1015077E-02 0.1015084E-02 0.9634583E+02 -2.9935 9 Ca++ 0.2114812E-06 0.2188390E-06 0.8661017E-02 0.4185 10 Mg++ 0.8462255E-10 0.8800873E-10 0.2112927E-05 -2.9813 11 Fe++ 0.1175850E-10 0.1213317E-10 0.6691324E-06 -3.8380 12 K+ 0.1484120E-03 0.1485293E-03 0.5735210E+01 -0.2144 13 Na+ 0.2097076E-01 0.2106758E-01 0.4782863E+03 1.9348 14 Mn++ 0.2209672E-08 0.2368338E-08 0.1284857E-03 -1.5636 15 F- 0.6257350E-03 0.1341240E-02 0.2516243E+02 0.4088 16 HPO4-- 0.1807903E-10 0.4384298E-07 0.4155416E-02 -3.6461 Component Tot moles Aq. moles Solid moles Gas moles 1 H+ 0.3245324E+00 0.2485841E+00 0.7594831E-01 0.0000000E+00 2 H2O 0.5246624E+02 0.5254938E+02 -.8313719E-01 0.0000000E+00 3 Cl- 0.1901783E-01 0.1901783E-01 0.0000000E+00 0.0000000E+00 4 SO4-- 0.1526497E-01 0.7338904E-04 0.1519158E-01 0.0000000E+00 5 HCO3- 0.2313723E+00 0.2313723E+00 0.0000000E+00 0.0000000E+00 6 HS- 0.6252029E-01 0.1694553E-01 0.4557477E-01 0.0000000E+00 7 Al+++ 0.4775352E-05 0.2317843E-09 0.4775120E-05 0.0000000E+00 8 H4SiO4 0.1215302E-01 0.9651943E-03 0.1118783E-01 0.0000000E+00 9 Ca++ 0.2080835E-06 0.2080835E-06 0.0000000E+00 0.0000000E+00 10 Mg++ 0.8368328E-10 0.8368328E-10 0.0000000E+00 0.0000000E+00 11 Fe++ 0.3259227E-07 0.1153684E-10 0.3258073E-07 0.0000000E+00 12 K+ 0.1412294E-03 0.1412294E-03 0.0000000E+00 0.0000000E+00 13 Na+ 0.2003215E-01 0.2003215E-01 0.0000000E+00 0.0000000E+00 14 Mn++ 0.2251939E-08 0.2251939E-08 0.0000000E+00 0.0000000E+00 15 F- 0.1280096E-02 0.1275321E-02 0.4775120E-05 0.0000000E+00 16 HPO4-- 0.4168819E-07 0.4168819E-07 0.0000000E+00 0.0000000E+00 Chg. balance for solid moles: 0.9090E-17 Mass of aqueous solution: 0.962886E+03 g Temperature = 100.00 C Pressure = 50.00 bar Mixer frac. = 3.1999900 Log Log Vol Gas or mineral Moles Moles Grams Grams Wt.% (cm3) pyrite 0.3258E-07 -7.487 0.3909E-05 -5.408 0.1492E-03 0.7799E-06 quartz 0.1119E-01 -1.951 0.6720 -0.173 25.64 0.2538 sulfur 0.6077E-01 -1.216 1.948 0.290 74.34 0.9425 topaz 0.2388E-05 -5.622 0.4394E-03 -3.357 0.1677E-01 0.1230E-03 Partial press. Fugacity coef Log fugacity Gas or Mineral Mole fraction or activity Activity coef Log activity pyrite 0.1000E+01 0.1000E+01 1.0000 0.000 quartz 0.1000E+01 0.1000E+01 1.0000 0.000 sulfur 0.1000E+01 0.1000E+01 1.0000 0.000 topaz 0.1000E+01 0.1000E+01 1.0000 0.000 Solid products produced: Mass = 2.620631 g Volume = 1.196418 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. Reactant consumed: 3.1999900 moles log = 0.5051 Original solution: 1000.0103000 g Original solution / Rock added: 312.50 (Water/Rock Ratio), log = 2.4949 Gas composition at saturation ( 3 iterations) ------------------------------------------------- Temperature: 100.0000 deg.C Sat. pressure: 28.8003 bar Gas Mole fraction phi Fugacity Partial P(bar) H2O,gas 0.4082E-01 0.8517 0.1001E+01 0.1176E+01 CO2,gas 0.9409E+00 0.9220 0.2498E+02 0.2710E+02 CH4,gas 0.2051E-07 1.0220 0.6037E-06 0.5907E-06 H2,gas 0.1345E-06 1.0155 0.3935E-05 0.3875E-05 H2S,gas 0.1823E-01 0.8961 0.4705E+00 0.5251E+00 S2,gas 0.1864E-10 1.0000 0.5368E-09 0.5368E-09 CO,gas 0.9140E-09 1.0000 0.2632E-07 0.2632E-07 SO3,gas 0.1873E-28 1.0000 0.5395E-27 0.5395E-27 SO2,gas 0.2881E-11 1.0000 0.8298E-10 0.8298E-10 HF,gas 0.6080E-07 1.0000 0.1751E-05 0.1751E-05 HCl,gas 0.3728E-10 1.0000 0.1074E-08 0.1074E-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 145 pyrite -21.25 -21.25 0.00 0.000 0.00000E+00 150 quartz -2.99 -2.99 0.00 0.000 0.00000E+00 172 sulfur -9.15 -9.15 0.00 0.000 0.00000E+00 214 topaz -16.55 -16.55 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 1.70 0.00 -1.70 -1.698 0.29000E+04 0.001 2 CO2,gas -6.66 -6.96 -0.30 -0.100 0.51445E+03 1.398 3 CH4,gas 4.54 -3.37 -7.92 -1.980 0.13520E+05 -6.219 4 H2,gas 8.00 0.90 -7.10 -4.059 0.12130E+05 -5.405 5 H2S,gas -6.23 -8.26 -2.03 -1.013 0.34600E+04 -0.327 6 S2,gas -7.34 -18.30 -10.97 -1.688 0.18730E+05 -9.270 7 CO,gas 3.21 -6.06 -9.28 -2.855 0.15843E+05 -7.580 8 SO3,gas 17.12 -11.85 -28.97 -7.242 0.49460E+05 -27.268 9 SO2,gas 0.83 -10.95 -11.78 -3.141 0.20114E+05 -10.081 10 HF,gas 0.47 -6.98 -7.46 -3.728 0.12730E+05 -5.757 11 HCl,gas 5.19 -5.48 -10.67 -5.334 0.18215E+05 -8.969 57 coesite -2.38 -2.99 -0.61 -0.204 0.10473E+04 64 cristobalite -2.56 -2.99 -0.43 -0.143 0.73267E+03 68 diaspore 2.87 0.20 -2.67 -0.445 0.45621E+04 69 diamond -3.10 -5.17 -2.06 -0.590 0.35234E+04 86 gibbsite 4.08 0.20 -3.88 -0.554 0.66242E+04 89 graphite -3.55 -5.17 -1.62 -0.463 0.27656E+04 101 kaolinite -1.33 -5.58 -4.24 -0.386 0.72473E+04 181 tridymite -2.63 -2.99 -0.36 -0.121 0.61998E+03 202 chalcedony -2.80 -2.99 -0.19 -0.062 0.31930E+03 237 boehmite 4.41 0.20 -4.20 -0.701 0.71791E+04 240 fluorite -9.93 -13.55 -3.62 -1.205 0.61730E+04 245 silica-amorphous -2.09 -2.99 -0.90 -0.299 0.15335E+04 Calculations done for 100.0000 Deg. C; 50.0000 bar Next reactant titration increment of: 0.1000000 MOLES Current total amount of reactant added: 3.1999900 MOLES New total amount of reactant added: 3.2999900 MOLES Solids and gases carried Charge balance check after fractionation or titration: TBAL = -.5508E-08 ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ Magmatic gas scrubbing preliminary calculation. React meteoric water with andesite, Getahun et al. 1996 J. Volc. Geotherm. Res. 71(73-107). Table 1 page 82 sample MAF-1 ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ Number of loops used = 12 Loop limit = 400 Temperature = 100.00 C Pressure = 50.00 bar Mixer fraction = 3.2999900 Water: Moles liquid = 0.5287E+02 kg liquid = 0.9525E+00 Moles total = 0.5255E+02 kg total = 0.9467E+00 Activity = 0.9952 Stoichiometric ionic strength = .1566880E+00 Osmotic coef. = 0.9182 True ionic strength = .2149479E-01 Chg. balance for total moles = -.5508E-08 Max. difference allowed = 0.1961E-05 Log Log Log Species(n) Molality Molality Activity Activity Gamma Gamma 1 H+ 0.38850E-03 -3.4106 0.32345E-03 -3.4902 0.83256E+00 -0.0796 2 H2O 0.99519E+00 -0.0021 0.99519E+00 -0.0021 3 Cl- 0.20487E-01 -1.6885 0.16949E-01 -1.7709 0.82727E+00 -0.0824 4 SO4-- 0.25138E-04 -4.5997 0.12751E-04 -4.8944 0.50725E+00 -0.2948 5 HCO3- 0.41789E-03 -3.3789 0.34624E-03 -3.4606 0.82855E+00 -0.0817 6 HS- 0.21127E-04 -4.6752 0.17480E-04 -4.7574 0.82740E+00 -0.0823 7 Al+++ 0.19750E-09 -9.7044 0.43501E-10 -10.3615 0.22026E+00 -0.6571 8 H4SiO4 0.10148E-02 -2.9936 0.10148E-02 -2.9936 0.10000E+01 0.0000 9 Ca++ 0.21258E-06 -6.6725 0.10699E-06 -6.9707 0.50331E+00 -0.2982 10 Mg++ 0.84998E-10 -10.0706 0.42573E-10 -10.3709 0.50087E+00 -0.3003 11 Fe++ 0.29678E-10 -10.5276 0.14882E-10 -10.8273 0.50145E+00 -0.2998 12 K+ 0.14821E-03 -3.8291 0.12283E-03 -3.9107 0.82876E+00 -0.0816 13 Na+ 0.20932E-01 -1.6792 0.17313E-01 -1.7616 0.82711E+00 -0.0824 14 Mn++ 0.22113E-08 -8.6553 0.11099E-08 -8.9547 0.50189E+00 -0.2994 15 F- 0.48765E-03 -3.3119 0.40254E-03 -3.3952 0.82547E+00 -0.0833 16 HPO4-- 0.10866E-10 -10.9639 0.55128E-11 -11.2586 0.50732E+00 -0.2947 17 SiF6-2 0.30239E-12 -12.5194 0.15304E-12 -12.8152 0.50611E+00 -0.2958 18 HSiO3- 0.35583E-08 -8.4488 0.29437E-08 -8.5311 0.82727E+00 -0.0824 19 Ca(HSiO3)+ 0.86525E-14 -14.0629 0.71725E-14 -14.1443 0.82895E+00 -0.0815 20 Mg(HSiO3)+ 0.42848E-17 -17.3681 0.35519E-17 -17.4495 0.82895E+00 -0.0815 21 NaHSiO3,aq 0.82428E-09 -9.0839 0.82428E-09 -9.0839 0.10000E+01 0.0000 22 AlO+ 0.67909E-10 -10.1681 0.56293E-10 -10.2495 0.82895E+00 -0.0815 23 AlOH+2 0.18046E-09 -9.7436 0.90666E-10 -10.0426 0.50241E+00 -0.2989 24 HAlO2,aq 0.34493E-10 -10.4623 0.34493E-10 -10.4623 0.10000E+01 0.0000 25 AlO2- 0.28589E-12 -12.5438 0.23605E-12 -12.6270 0.82569E+00 -0.0832 26 CH4,aq 0.47722E-09 -9.3213 0.45885E-09 -9.3383 0.96152E+00 -0.0170 27 C2H6,aq 0.12234E-19 -19.9124 0.11764E-19 -19.9295 0.96152E+00 -0.0170 31 CO,aq 0.18572E-10 -10.7311 0.18572E-10 -10.7311 0.10000E+01 0.0000 32 CO2,aq 0.25008E+00 -0.6019 0.24046E+00 -0.6190 0.96152E+00 -0.0170 33 CO3-2 0.18474E-09 -9.7334 0.93500E-10 -10.0292 0.50611E+00 -0.2958 34 CaCO3,aq 0.12544E-12 -12.9016 0.12544E-12 -12.9016 0.10000E+01 0.0000 35 Ca(HCO3)+ 0.11407E-08 -8.9428 0.94561E-09 -9.0243 0.82895E+00 -0.0815 36 CaCl+ 0.35401E-08 -8.4510 0.29346E-08 -8.5325 0.82895E+00 -0.0815 37 CaCl2,aq 0.11816E-10 -10.9275 0.11816E-10 -10.9275 0.10000E+01 0.0000 38 CaF+ 0.75856E-09 -9.1200 0.62881E-09 -9.2015 0.82895E+00 -0.0815 39 CaOH+ 0.28302E-13 -13.5482 0.23461E-13 -13.6297 0.82895E+00 -0.0815 40 CaSO4,aq 0.43322E-09 -9.3633 0.43322E-09 -9.3633 0.10000E+01 0.0000 41 HCl,aq 0.10046E-05 -5.9980 0.10046E-05 -5.9980 0.10000E+01 0.0000 45 HF,aq 0.89134E-03 -3.0500 0.89134E-03 -3.0500 0.10000E+01 0.0000 46 HF2- 0.14643E-06 -6.8344 0.12114E-06 -6.9167 0.82727E+00 -0.0824 48 FeCl+ 0.48162E-12 -12.3173 0.39924E-12 -12.3988 0.82895E+00 -0.0815 49 FeCl2,aq 0.21423E-18 -18.6691 0.21423E-18 -18.6691 0.10000E+01 0.0000 51 FeF+ 0.36931E-12 -12.4326 0.30614E-12 -12.5141 0.82895E+00 -0.0815 52 FeF+2 0.50463E-19 -19.2970 0.25353E-19 -19.5960 0.50241E+00 -0.2989 54 FeOH+ 0.17980E-14 -14.7452 0.14905E-14 -14.8267 0.82895E+00 -0.0815 56 FeO+ 0.77532E-19 -19.1105 0.64270E-19 -19.1920 0.82895E+00 -0.0815 60 H2,aq 0.31822E-08 -8.4973 0.30597E-08 -8.5143 0.96152E+00 -0.0170 61 KCl,aq 0.37730E-07 -7.4233 0.37730E-07 -7.4233 0.10000E+01 0.0000 62 KHSO4,aq 0.14323E-11 -11.8440 0.14323E-11 -11.8440 0.10000E+01 0.0000 63 KOH,aq 0.16139E-12 -12.7921 0.16139E-12 -12.7921 0.10000E+01 0.0000 64 KSO4- 0.29378E-07 -7.5320 0.24304E-07 -7.6143 0.82727E+00 -0.0824 65 MgCO3,aq 0.12511E-16 -16.9027 0.12511E-16 -16.9027 0.10000E+01 0.0000 66 Mg(HCO3)+ 0.46382E-12 -12.3337 0.38448E-12 -12.4151 0.82895E+00 -0.0815 67 MgCl+ 0.12767E-11 -11.8939 0.10583E-11 -11.9754 0.82895E+00 -0.0815 68 MgF+ 0.11181E-11 -11.9515 0.92685E-12 -12.0330 0.82895E+00 -0.0815 69 MgOH+ 0.62317E-16 -16.2054 0.51658E-16 -16.2869 0.82895E+00 -0.0815 71 MnF+ 0.90779E-11 -11.0420 0.75251E-11 -11.1235 0.82895E+00 -0.0815 72 MnO,aq 0.10933E-19 -19.9613 0.10933E-19 -19.9613 0.10000E+01 0.0000 73 MnOH+ 0.12457E-13 -13.9046 0.10326E-13 -13.9861 0.82895E+00 -0.0815 78 MnCl+ 0.13974E-09 -9.8547 0.11583E-09 -9.9362 0.82895E+00 -0.0815 79 MnSO4,aq 0.40856E-11 -11.3887 0.40856E-11 -11.3887 0.10000E+01 0.0000 80 NaCl,aq 0.97245E-04 -4.0121 0.97245E-04 -4.0121 0.10000E+01 0.0000 81 NaF,aq 0.16317E-05 -5.7874 0.16317E-05 -5.7874 0.10000E+01 0.0000 82 NaOH,aq 0.22887E-10 -10.6404 0.22887E-10 -10.6404 0.10000E+01 0.0000 84 OH- 0.21529E-08 -8.6670 0.17777E-08 -8.7501 0.82569E+00 -0.0832 91 H2PO3- 0.41413E-19 -19.3829 0.34260E-19 -19.4652 0.82727E+00 -0.0824 92 H3PO4,aq 0.40339E-08 -8.3943 0.40339E-08 -8.3943 0.10000E+01 0.0000 93 H2PO4- 0.39722E-07 -7.4010 0.32894E-07 -7.4829 0.82810E+00 -0.0819 94 PO4-3 0.59941E-19 -19.2223 0.13906E-19 -19.8568 0.23199E+00 -0.6345 95 H4P2O7,aq 0.21557E-18 -18.6664 0.21557E-18 -18.6664 0.10000E+01 0.0000 96 H3P2O7- 0.10285E-16 -16.9878 0.85088E-17 -17.0701 0.82727E+00 -0.0824 97 H2P2O7-2 0.16845E-15 -15.7735 0.85252E-16 -16.0693 0.50611E+00 -0.2958 98 HP2O7-3 0.23868E-18 -18.6222 0.52628E-19 -19.2788 0.22050E+00 -0.6566 100 H2S,aq 0.18174E-01 -1.7405 0.17475E-01 -1.7576 0.96152E+00 -0.0170 101 S2-2 0.43723E-11 -11.3593 0.22128E-11 -11.6550 0.50611E+00 -0.2958 102 S3-2 0.33642E-10 -10.4731 0.17027E-10 -10.7689 0.50611E+00 -0.2958 103 S3- 0.80673E-07 -7.0933 0.66739E-07 -7.1756 0.82727E+00 -0.0824 104 S4-2 0.17099E-09 -9.7670 0.86541E-10 -10.0628 0.50611E+00 -0.2958 105 S5-2 0.57953E-09 -9.2369 0.29330E-09 -9.5327 0.50611E+00 -0.2958 106 SO2,aq 0.18406E-10 -10.7350 0.18406E-10 -10.7350 0.10000E+01 0.0000 107 SO3-2 0.99146E-14 -14.0037 0.50946E-14 -14.2929 0.51385E+00 -0.2892 108 HSO3- 0.12472E-09 -9.9041 0.10318E-09 -9.9864 0.82727E+00 -0.0824 109 HSO4- 0.47901E-05 -5.3197 0.39748E-05 -5.4007 0.82980E+00 -0.0810 111 S2O3-2 0.51968E-08 -8.2843 0.26301E-08 -8.5800 0.50611E+00 -0.2958 112 HS2O3- 0.18387E-09 -9.7355 0.15211E-09 -9.8178 0.82727E+00 -0.0824 113 H2S2O3,aq 0.78875E-12 -12.1031 0.78875E-12 -12.1031 0.10000E+01 0.0000 121 S4O6-2 0.99181E-16 -16.0036 0.50196E-16 -16.2993 0.50611E+00 -0.2958 Charge balance for all species = -.5782E-08 Component Molality Aq.molality ppm log[A(N)/A(H+)**Z] (total) 1 H+ 0.3885033E-03 0.2695437E+00 0.2681983E+03 0.0000 2 H2O 0.1000000E+01 0.5525817E+02 0.9827204E+06 0.0000 3 Cl- 0.2048738E-01 0.2058567E-01 0.7204603E+03 1.7193 4 SO4-- 0.2513830E-04 0.3001357E-04 0.2846161E+01 2.0859 5 HCO3- 0.4178890E-03 0.2505015E+00 0.1508880E+05 0.0296 6 HS- 0.2112697E-04 0.1819543E-01 0.5940388E+03 -1.2673 7 Al+++ 0.1974955E-09 0.4806444E-09 0.1280212E-04 0.1091 8 H4SiO4 0.1014793E-02 0.1014797E-02 0.9628627E+02 -2.9936 9 Ca++ 0.2125760E-06 0.2184607E-06 0.8643135E-02 0.0097 10 Mg++ 0.8499784E-10 0.8785658E-10 0.2108565E-05 -3.3905 11 Fe++ 0.2967798E-10 0.3053071E-10 0.1683173E-05 -3.8470 12 K+ 0.1482054E-03 0.1482725E-03 0.5723368E+01 -0.4205 13 Na+ 0.2093228E-01 0.2103116E-01 0.4772988E+03 1.7286 14 Mn++ 0.2211331E-08 0.2364244E-08 0.1282204E-03 -1.9744 15 F- 0.4876531E-03 0.1380916E-02 0.2589806E+02 0.0950 16 HPO4-- 0.1086648E-10 0.4376719E-07 0.4146836E-02 -4.2782 Component Tot moles Aq. moles Solid moles Gas moles 1 H+ 0.3352999E+00 0.2567401E+00 0.7855981E-01 0.0000000E+00 2 H2O 0.5254811E+02 0.5263333E+02 -.8522360E-01 0.0000000E+00 3 Cl- 0.1960783E-01 0.1960783E-01 0.0000000E+00 0.0000000E+00 4 SO4-- 0.1574247E-01 0.2858788E-04 0.1571388E-01 0.0000000E+00 5 HCO3- 0.2386023E+00 0.2386023E+00 0.0000000E+00 0.0000000E+00 6 HS- 0.6447279E-01 0.1733112E-01 0.4714167E-01 0.0000000E+00 7 Al+++ 0.4775352E-05 0.4578132E-09 0.4774894E-05 0.0000000E+00 8 H4SiO4 0.1215302E-01 0.9665933E-03 0.1118643E-01 0.0000000E+00 9 Ca++ 0.2080835E-06 0.2080835E-06 0.0000000E+00 0.0000000E+00 10 Mg++ 0.8368328E-10 0.8368328E-10 0.0000000E+00 0.0000000E+00 11 Fe++ 0.3259227E-07 0.2908047E-10 0.3256319E-07 0.0000000E+00 12 K+ 0.1412294E-03 0.1412294E-03 0.0000000E+00 0.0000000E+00 13 Na+ 0.2003215E-01 0.2003215E-01 0.0000000E+00 0.0000000E+00 14 Mn++ 0.2251939E-08 0.2251939E-08 0.0000000E+00 0.0000000E+00 15 F- 0.1320096E-02 0.1315321E-02 0.4774894E-05 0.0000000E+00 16 HPO4-- 0.4168819E-07 0.4168819E-07 0.0000000E+00 0.0000000E+00 Chg. balance for solid moles: 0.5870E-18 Mass of aqueous solution: 0.964878E+03 g Temperature = 100.00 C Pressure = 50.00 bar Mixer frac. = 3.2999900 Log Log Vol Gas or mineral Moles Moles Grams Grams Wt.% (cm3) pyrite 0.3256E-07 -7.487 0.3907E-05 -5.408 0.1454E-03 0.7795E-06 quartz 0.1118E-01 -1.951 0.6719 -0.173 25.00 0.2538 sulfur 0.6286E-01 -1.202 2.015 0.304 74.98 0.9749 topaz 0.2387E-05 -5.622 0.4394E-03 -3.357 0.1635E-01 0.1230E-03 Partial press. Fugacity coef Log fugacity Gas or Mineral Mole fraction or activity Activity coef Log activity pyrite 0.1000E+01 0.1000E+01 1.0000 0.000 quartz 0.1000E+01 0.1000E+01 1.0000 0.000 sulfur 0.1000E+01 0.1000E+01 1.0000 0.000 topaz 0.1000E+01 0.1000E+01 1.0000 0.000 Solid products produced: Mass = 2.687527 g Volume = 1.228790 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. Reactant consumed: 3.2999900 moles log = 0.5185 Original solution: 1000.0103000 g Original solution / Rock added: 303.03 (Water/Rock Ratio), log = 2.4815 Gas composition at saturation ( 3 iterations) ------------------------------------------------- Temperature: 100.0000 deg.C Sat. pressure: 29.6922 bar Gas Mole fraction phi Fugacity Partial P(bar) H2O,gas 0.3980E-01 0.8472 0.1001E+01 0.1182E+01 CO2,gas 0.9421E+00 0.9197 0.2573E+02 0.2797E+02 CH4,gas 0.2224E-07 1.0226 0.6754E-06 0.6604E-06 H2,gas 0.1332E-06 1.0160 0.4017E-05 0.3954E-05 H2S,gas 0.1811E-01 0.8932 0.4804E+00 0.5378E+00 S2,gas 0.1808E-10 1.0000 0.5368E-09 0.5368E-09 CO,gas 0.9321E-09 1.0000 0.2768E-07 0.2768E-07 SO3,gas 0.1707E-28 1.0000 0.5069E-27 0.5069E-27 SO2,gas 0.2681E-11 1.0000 0.7960E-10 0.7960E-10 HF,gas 0.7371E-07 1.0000 0.2189E-05 0.2189E-05 HCl,gas 0.5970E-10 1.0000 0.1773E-08 0.1773E-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 145 pyrite -21.25 -21.25 0.00 0.000 -0.60662E-11 150 quartz -2.99 -2.99 0.00 0.000 0.00000E+00 172 sulfur -9.15 -9.15 0.00 0.000 0.00000E+00 214 topaz -16.55 -16.55 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 1.70 0.00 -1.70 -1.698 0.29001E+04 0.000 2 CO2,gas -6.66 -6.95 -0.29 -0.096 0.49276E+03 1.410 3 CH4,gas 4.54 -3.33 -7.87 -1.967 0.13437E+05 -6.170 4 H2,gas 8.00 0.90 -7.10 -4.054 0.12115E+05 -5.396 5 H2S,gas -6.23 -8.25 -2.02 -1.009 0.34446E+04 -0.318 6 S2,gas -7.34 -18.30 -10.97 -1.688 0.18730E+05 -9.270 7 CO,gas 3.21 -6.04 -9.26 -2.848 0.15806E+05 -7.558 8 SO3,gas 17.12 -11.87 -28.99 -7.249 0.49507E+05 -27.295 9 SO2,gas 0.83 -10.97 -11.80 -3.146 0.20145E+05 -10.099 10 HF,gas 0.47 -6.89 -7.36 -3.679 0.12565E+05 -5.660 11 HCl,gas 5.19 -5.26 -10.45 -5.225 0.17844E+05 -8.751 57 coesite -2.38 -2.99 -0.61 -0.204 0.10473E+04 64 cristobalite -2.56 -2.99 -0.43 -0.143 0.73267E+03 68 diaspore 2.87 0.10 -2.77 -0.461 0.47277E+04 69 diamond -3.10 -5.14 -2.03 -0.581 0.34708E+04 86 gibbsite 4.08 0.10 -3.98 -0.568 0.67898E+04 89 graphite -3.55 -5.14 -1.59 -0.454 0.27131E+04 101 kaolinite -1.33 -5.77 -4.44 -0.403 0.75785E+04 181 tridymite -2.63 -2.99 -0.36 -0.121 0.61998E+03 202 chalcedony -2.80 -2.99 -0.19 -0.062 0.31930E+03 237 boehmite 4.41 0.10 -4.30 -0.717 0.73446E+04 240 fluorite -9.93 -13.76 -3.83 -1.277 0.65401E+04 245 silica-amorphous -2.09 -2.99 -0.90 -0.299 0.15335E+04 Calculations done for 100.0000 Deg. C; 50.0000 bar Next reactant titration increment of: 0.1000000 MOLES Current total amount of reactant added: 3.2999900 MOLES New total amount of reactant added: 3.3999900 MOLES Solids and gases carried Charge balance check after fractionation or titration: TBAL = -.5508E-08 ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ Magmatic gas scrubbing preliminary calculation. React meteoric water with andesite, Getahun et al. 1996 J. Volc. Geotherm. Res. 71(73-107). Table 1 page 82 sample MAF-1 ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ Number of loops used = 11 Loop limit = 400 Temperature = 100.00 C Pressure = 50.00 bar Mixer fraction = 3.3999900 Water: Moles liquid = 0.5296E+02 kg liquid = 0.9541E+00 Moles total = 0.5263E+02 kg total = 0.9481E+00 Activity = 0.9951 Stoichiometric ionic strength = .1607834E+00 Osmotic coef. = 0.9182 True ionic strength = .2170872E-01 Chg. balance for total moles = -.5508E-08 Max. difference allowed = 0.2020E-05 Log Log Log Species(n) Molality Molality Activity Activity Gamma Gamma 1 H+ 0.65779E-03 -3.1819 0.54723E-03 -3.2618 0.83192E+00 -0.0799 2 H2O 0.99505E+00 -0.0022 0.99505E+00 -0.0022 3 Cl- 0.21067E-01 -1.6764 0.17414E-01 -1.7591 0.82659E+00 -0.0827 4 SO4-- 0.81800E-05 -5.0872 0.41377E-05 -5.3832 0.50584E+00 -0.2960 5 HCO3- 0.25419E-03 -3.5948 0.21044E-03 -3.6769 0.82788E+00 -0.0820 6 HS- 0.12807E-04 -4.8925 0.10588E-04 -4.9752 0.82672E+00 -0.0826 7 Al+++ 0.80020E-09 -9.0968 0.17516E-09 -9.7566 0.21890E+00 -0.6598 8 H4SiO4 0.10145E-02 -2.9937 0.10145E-02 -2.9937 0.10000E+01 0.0000 9 Ca++ 0.21306E-06 -6.6715 0.10693E-06 -6.9709 0.50188E+00 -0.2994 10 Mg++ 0.85313E-10 -10.0690 0.42608E-10 -10.3705 0.49943E+00 -0.3015 11 Fe++ 0.83134E-10 -10.0802 0.41568E-10 -10.3812 0.50001E+00 -0.3010 12 K+ 0.14797E-03 -3.8298 0.12253E-03 -3.9118 0.82809E+00 -0.0819 13 Na+ 0.20894E-01 -1.6800 0.17268E-01 -1.7628 0.82643E+00 -0.0828 14 Mn++ 0.22093E-08 -8.6558 0.11056E-08 -8.9564 0.50045E+00 -0.3006 15 F- 0.34698E-03 -3.4597 0.28618E-03 -3.5434 0.82478E+00 -0.0837 16 HPO4-- 0.60407E-11 -11.2189 0.30561E-11 -11.5148 0.50591E+00 -0.2959 17 SiF6-2 0.32084E-12 -12.4937 0.16192E-12 -12.7907 0.50469E+00 -0.2970 18 HSiO3- 0.21046E-08 -8.6768 0.17397E-08 -8.7595 0.82659E+00 -0.0827 19 Ca(HSiO3)+ 0.51148E-14 -14.2912 0.42365E-14 -14.3730 0.82828E+00 -0.0818 20 Mg(HSiO3)+ 0.25364E-17 -17.5958 0.21008E-17 -17.6776 0.82828E+00 -0.0818 21 NaHSiO3,aq 0.48586E-09 -9.3135 0.48586E-09 -9.3135 0.10000E+01 0.0000 22 AlO+ 0.95599E-10 -10.0195 0.79182E-10 -10.1014 0.82828E+00 -0.0818 23 AlOH+2 0.43068E-09 -9.3658 0.21576E-09 -9.6660 0.50097E+00 -0.3002 24 HAlO2,aq 0.28674E-10 -10.5425 0.28674E-10 -10.5425 0.10000E+01 0.0000 25 AlO2- 0.14059E-12 -12.8520 0.11599E-12 -12.9356 0.82500E+00 -0.0835 26 CH4,aq 0.54176E-09 -9.2662 0.52049E-09 -9.2836 0.96074E+00 -0.0174 27 C2H6,aq 0.15374E-19 -19.8132 0.14771E-19 -19.8306 0.96074E+00 -0.0174 31 CO,aq 0.19574E-10 -10.7083 0.19574E-10 -10.7083 0.10000E+01 0.0000 32 CO2,aq 0.25739E+00 -0.5894 0.24729E+00 -0.6068 0.96074E+00 -0.0174 33 CO3-2 0.66554E-10 -10.1768 0.33589E-10 -10.4738 0.50469E+00 -0.2970 34 CaCO3,aq 0.45036E-13 -13.3464 0.45036E-13 -13.3464 0.10000E+01 0.0000 35 Ca(HCO3)+ 0.69347E-09 -9.1590 0.57439E-09 -9.2408 0.82828E+00 -0.0818 36 CaCl+ 0.36382E-08 -8.4391 0.30134E-08 -8.5209 0.82828E+00 -0.0818 37 CaCl2,aq 0.12467E-10 -10.9042 0.12467E-10 -10.9042 0.10000E+01 0.0000 38 CaF+ 0.53941E-09 -9.2681 0.44678E-09 -9.3499 0.82828E+00 -0.0818 39 CaOH+ 0.16730E-13 -13.7765 0.13857E-13 -13.8583 0.82828E+00 -0.0818 40 CaSO4,aq 0.14050E-09 -9.8523 0.14050E-09 -9.8523 0.10000E+01 0.0000 41 HCl,aq 0.17462E-05 -5.7579 0.17462E-05 -5.7579 0.10000E+01 0.0000 45 HF,aq 0.10721E-02 -2.9698 0.10721E-02 -2.9698 0.10000E+01 0.0000 46 HF2- 0.12532E-06 -6.9020 0.10359E-06 -6.9847 0.82659E+00 -0.0827 48 FeCl+ 0.13833E-11 -11.8591 0.11458E-11 -11.9409 0.82828E+00 -0.0818 49 FeCl2,aq 0.63169E-18 -18.1995 0.63169E-18 -18.1995 0.10000E+01 0.0000 51 FeF+ 0.73394E-12 -12.1343 0.60791E-12 -12.2162 0.82828E+00 -0.0818 52 FeF+2 0.16795E-18 -18.7748 0.84141E-19 -19.0750 0.50097E+00 -0.3002 54 FeOH+ 0.29705E-14 -14.5272 0.24604E-14 -14.6090 0.82828E+00 -0.0818 56 FeO+ 0.12653E-18 -18.8978 0.10480E-18 -18.9796 0.82828E+00 -0.0818 57 FeOH+2 0.21862E-19 -19.6603 0.10953E-19 -19.9605 0.50097E+00 -0.3002 60 H2,aq 0.32636E-08 -8.4863 0.31354E-08 -8.5037 0.96074E+00 -0.0174 61 KCl,aq 0.38673E-07 -7.4126 0.38673E-07 -7.4126 0.10000E+01 0.0000 62 KHSO4,aq 0.78444E-12 -12.1054 0.78444E-12 -12.1054 0.10000E+01 0.0000 63 KOH,aq 0.95151E-13 -13.0216 0.95151E-13 -13.0216 0.10000E+01 0.0000 64 KSO4- 0.95179E-08 -8.0215 0.78674E-08 -8.1042 0.82659E+00 -0.0827 65 MgCO3,aq 0.44981E-17 -17.3470 0.44981E-17 -17.3470 0.10000E+01 0.0000 66 Mg(HCO3)+ 0.28235E-12 -12.5492 0.23387E-12 -12.6310 0.82828E+00 -0.0818 67 MgCl+ 0.13139E-11 -11.8814 0.10883E-11 -11.9633 0.82828E+00 -0.0818 68 MgF+ 0.79619E-12 -12.0990 0.65946E-12 -12.1808 0.82828E+00 -0.0818 69 MgOH+ 0.36889E-16 -16.4331 0.30554E-16 -16.5149 0.82828E+00 -0.0818 71 MnF+ 0.64344E-11 -11.1915 0.53295E-11 -11.2733 0.82828E+00 -0.0818 73 MnOH+ 0.73397E-14 -14.1343 0.60793E-14 -14.2161 0.82828E+00 -0.0818 78 MnCl+ 0.14314E-09 -9.8442 0.11856E-09 -9.9261 0.82828E+00 -0.0818 79 MnSO4,aq 0.13207E-11 -11.8792 0.13207E-11 -11.8792 0.10000E+01 0.0000 80 NaCl,aq 0.99651E-04 -4.0015 0.99651E-04 -4.0015 0.10000E+01 0.0000 81 NaF,aq 0.11569E-05 -5.9367 0.11569E-05 -5.9367 0.10000E+01 0.0000 82 NaOH,aq 0.13490E-10 -10.8700 0.13490E-10 -10.8700 0.10000E+01 0.0000 84 OH- 0.12734E-08 -8.8950 0.10506E-08 -8.9786 0.82500E+00 -0.0835 91 H2PO3- 0.39840E-19 -19.3997 0.32931E-19 -19.4824 0.82659E+00 -0.0827 92 H3PO4,aq 0.64006E-08 -8.1938 0.64006E-08 -8.1938 0.10000E+01 0.0000 93 H2PO4- 0.37285E-07 -7.4285 0.30851E-07 -7.5107 0.82743E+00 -0.0823 94 PO4-3 0.19755E-19 -19.7043 0.45565E-20 -20.3414 0.23065E+00 -0.6371 95 H4P2O7,aq 0.54281E-18 -18.2654 0.54281E-18 -18.2654 0.10000E+01 0.0000 96 H3P2O7- 0.15321E-16 -16.8147 0.12664E-16 -16.8974 0.82659E+00 -0.0827 97 H2P2O7-2 0.14860E-15 -15.8280 0.74999E-16 -16.1249 0.50469E+00 -0.2970 98 HP2O7-3 0.12488E-18 -18.9035 0.27366E-19 -19.5628 0.21914E+00 -0.6593 100 H2S,aq 0.18639E-01 -1.7296 0.17907E-01 -1.7470 0.96074E+00 -0.0174 101 S2-2 0.15697E-11 -11.8042 0.79224E-12 -12.1011 0.50469E+00 -0.2970 102 S3-2 0.12078E-10 -10.9180 0.60958E-11 -11.2150 0.50469E+00 -0.2970 103 S3- 0.48310E-07 -7.3160 0.39933E-07 -7.3987 0.82659E+00 -0.0827 104 S4-2 0.61390E-10 -10.2119 0.30983E-10 -10.5089 0.50469E+00 -0.2970 105 S5-2 0.20806E-09 -9.6818 0.10501E-09 -9.9788 0.50469E+00 -0.2970 106 SO2,aq 0.17523E-10 -10.7564 0.17523E-10 -10.7564 0.10000E+01 0.0000 107 SO3-2 0.33061E-14 -14.4807 0.16943E-14 -14.7710 0.51247E+00 -0.2903 108 HSO3- 0.70230E-10 -10.1535 0.58052E-10 -10.2362 0.82659E+00 -0.0827 109 HSO4- 0.26318E-05 -5.5798 0.21821E-05 -5.6611 0.82914E+00 -0.0814 111 S2O3-2 0.17331E-08 -8.7612 0.87470E-09 -9.0581 0.50469E+00 -0.2970 112 HS2O3- 0.10354E-09 -9.9849 0.85585E-10 -10.0676 0.82659E+00 -0.0827 113 H2S2O3,aq 0.75081E-12 -12.1245 0.75081E-12 -12.1245 0.10000E+01 0.0000 121 S4O6-2 0.30726E-16 -16.5125 0.15507E-16 -16.8095 0.50469E+00 -0.2970 Charge balance for all species = -.5772E-08 Component Molality Aq.molality ppm log[A(N)/A(H+)**Z] (total) 1 H+ 0.6577871E-03 0.2777666E+00 0.2762856E+03 0.0000 2 H2O 0.1000000E+01 0.5525086E+02 0.9822545E+06 0.0000 3 Cl- 0.2106713E-01 0.2116857E-01 0.7406072E+03 1.5027 4 SO4-- 0.8179958E-05 0.1085239E-04 0.1028771E+01 1.1404 5 HCO3- 0.2541894E-03 0.2576474E+00 0.1551392E+05 -0.4150 6 HS- 0.1280715E-04 0.1865175E-01 0.6087284E+03 -1.7134 7 Al+++ 0.8001978E-09 0.1355292E-08 0.3608630E-04 0.0289 8 H4SiO4 0.1014510E-02 0.1014513E-02 0.9622636E+02 -2.9937 9 Ca++ 0.2130603E-06 0.2180843E-06 0.8625296E-02 -0.4472 10 Mg++ 0.8531275E-10 0.8770523E-10 0.2104213E-05 -3.8468 11 Fe++ 0.8313445E-10 0.8525467E-10 0.4698525E-05 -3.8576 12 K+ 0.1479689E-03 0.1480171E-03 0.5711556E+01 -0.6499 13 Na+ 0.2089412E-01 0.2099493E-01 0.4763137E+03 1.4991 14 Mn++ 0.2209266E-08 0.2360171E-08 0.1279557E-03 -2.4327 15 F- 0.3469781E-03 0.1420461E-02 0.2663058E+02 -0.2815 16 HPO4-- 0.6040744E-11 0.4369179E-07 0.4138277E-02 -4.9912 Component Tot moles Aq. moles Solid moles Gas moles 1 H+ 0.3460674E+00 0.2650289E+00 0.8103848E-01 0.0000000E+00 2 H2O 0.5262998E+02 0.5271718E+02 -.8720374E-01 0.0000000E+00 3 Cl- 0.2019783E-01 0.2019783E-01 0.0000000E+00 0.0000000E+00 4 SO4-- 0.1621997E-01 0.1035473E-04 0.1620961E-01 0.0000000E+00 5 HCO3- 0.2458323E+00 0.2458323E+00 0.0000000E+00 0.0000000E+00 6 HS- 0.6642529E-01 0.1779642E-01 0.4862887E-01 0.0000000E+00 7 Al+++ 0.4775352E-05 0.1293141E-08 0.4774059E-05 0.0000000E+00 8 H4SiO4 0.1215302E-01 0.9679897E-03 0.1118503E-01 0.0000000E+00 9 Ca++ 0.2080835E-06 0.2080835E-06 0.0000000E+00 0.0000000E+00 10 Mg++ 0.8368328E-10 0.8368328E-10 0.0000000E+00 0.0000000E+00 11 Fe++ 0.3259227E-07 0.8134509E-10 0.3251092E-07 0.0000000E+00 12 K+ 0.1412294E-03 0.1412294E-03 0.0000000E+00 0.0000000E+00 13 Na+ 0.2003215E-01 0.2003215E-01 0.0000000E+00 0.0000000E+00 14 Mn++ 0.2251939E-08 0.2251939E-08 0.0000000E+00 0.0000000E+00 15 F- 0.1360096E-02 0.1355322E-02 0.4774059E-05 0.0000000E+00 16 HPO4-- 0.4168819E-07 0.4168819E-07 0.0000000E+00 0.0000000E+00 Chg. balance for solid moles: -.1084E-16 Mass of aqueous solution: 0.966874E+03 g Temperature = 100.00 C Pressure = 50.00 bar Mixer frac. = 3.3999900 Log Log Vol Gas or mineral Moles Moles Grams Grams Wt.% (cm3) pyrite 0.3251E-07 -7.488 0.3901E-05 -5.409 0.1418E-03 0.7783E-06 quartz 0.1118E-01 -1.951 0.6719 -0.173 24.42 0.2537 sulfur 0.6484E-01 -1.188 2.079 0.318 75.56 1.006 topaz 0.2387E-05 -5.622 0.4393E-03 -3.357 0.1597E-01 0.1230E-03 Partial press. Fugacity coef Log fugacity Gas or Mineral Mole fraction or activity Activity coef Log activity pyrite 0.1000E+01 0.1000E+01 1.0000 0.000 quartz 0.1000E+01 0.1000E+01 1.0000 0.000 sulfur 0.1000E+01 0.1000E+01 1.0000 0.000 topaz 0.1000E+01 0.1000E+01 1.0000 0.000 Solid products produced: Mass = 2.751016 g Volume = 1.259515 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. Reactant consumed: 3.3999900 moles log = 0.5315 Original solution: 1000.0103000 g Original solution / Rock added: 294.12 (Water/Rock Ratio), log = 2.4685 Gas composition at saturation ( 3 iterations) ------------------------------------------------- Temperature: 100.0000 deg.C Sat. pressure: 30.5780 bar Gas Mole fraction phi Fugacity Partial P(bar) H2O,gas 0.3884E-01 0.8428 0.1001E+01 0.1188E+01 CO2,gas 0.9431E+00 0.9175 0.2646E+02 0.2884E+02 CH4,gas 0.2449E-07 1.0233 0.7661E-06 0.7487E-06 H2,gas 0.1324E-06 1.0164 0.4116E-05 0.4050E-05 H2S,gas 0.1808E-01 0.8902 0.4923E+00 0.5529E+00 S2,gas 0.1755E-10 1.0000 0.5368E-09 0.5368E-09 CO,gas 0.9539E-09 1.0000 0.2917E-07 0.2917E-07 SO3,gas 0.1540E-28 1.0000 0.4708E-27 0.4708E-27 SO2,gas 0.2478E-11 1.0000 0.7578E-10 0.7578E-10 HF,gas 0.8609E-07 1.0000 0.2632E-05 0.2632E-05 HCl,gas 0.1008E-09 1.0000 0.3081E-08 0.3081E-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 145 pyrite -21.25 -21.25 0.00 0.000 -0.60662E-11 150 quartz -2.99 -2.99 0.00 0.000 0.00000E+00 172 sulfur -9.15 -9.15 0.00 0.000 0.00000E+00 214 topaz -16.55 -16.55 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 1.70 0.00 -1.70 -1.699 0.29002E+04 0.000 2 CO2,gas -6.66 -6.94 -0.28 -0.092 0.47199E+03 1.423 3 CH4,gas 4.54 -3.27 -7.81 -1.954 0.13343E+05 -6.116 4 H2,gas 8.00 0.92 -7.08 -4.048 0.12096E+05 -5.385 5 H2S,gas -6.23 -8.24 -2.01 -1.003 0.34265E+04 -0.308 6 S2,gas -7.34 -18.30 -10.97 -1.688 0.18730E+05 -9.270 7 CO,gas 3.21 -6.02 -9.23 -2.841 0.15767E+05 -7.535 8 SO3,gas 17.12 -11.90 -29.03 -7.257 0.49561E+05 -27.327 9 SO2,gas 0.83 -10.99 -11.82 -3.152 0.20181E+05 -10.120 10 HF,gas 0.47 -6.81 -7.28 -3.639 0.12428E+05 -5.580 11 HCl,gas 5.19 -5.02 -10.21 -5.105 0.17434E+05 -8.511 57 coesite -2.38 -2.99 -0.61 -0.204 0.10473E+04 64 cristobalite -2.56 -2.99 -0.43 -0.143 0.73267E+03 68 diaspore 2.87 0.02 -2.85 -0.475 0.48647E+04 69 diamond -3.10 -5.10 -2.00 -0.571 0.34136E+04 86 gibbsite 4.08 0.02 -4.06 -0.580 0.69269E+04 89 graphite -3.55 -5.10 -1.56 -0.444 0.26559E+04 101 kaolinite -1.33 -5.93 -4.60 -0.418 0.78527E+04 181 tridymite -2.63 -2.99 -0.36 -0.121 0.61998E+03 202 chalcedony -2.80 -2.99 -0.19 -0.062 0.31930E+03 237 boehmite 4.41 0.02 -4.38 -0.730 0.74816E+04 240 fluorite -9.93 -14.06 -4.13 -1.376 0.70466E+04 245 silica-amorphous -2.09 -2.99 -0.90 -0.299 0.15335E+04 Calculations done for 100.0000 Deg. C; 50.0000 bar Next reactant titration increment of: 0.1000000 MOLES Current total amount of reactant added: 3.3999900 MOLES New total amount of reactant added: 3.4999900 MOLES Solids and gases carried Charge balance check after fractionation or titration: TBAL = -.5508E-08 ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ Magmatic gas scrubbing preliminary calculation. React meteoric water with andesite, Getahun et al. 1996 J. Volc. Geotherm. Res. 71(73-107). Table 1 page 82 sample MAF-1 ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ Number of loops used = 10 Loop limit = 400 Temperature = 100.00 C Pressure = 50.00 bar Mixer fraction = 3.4999900 Water: Moles liquid = 0.5305E+02 kg liquid = 0.9558E+00 Moles total = 0.5271E+02 kg total = 0.9496E+00 Activity = 0.9949 Stoichiometric ionic strength = .1649106E+00 Osmotic coef. = 0.9180 True ionic strength = .2206963E-01 Chg. balance for total moles = -.5508E-08 Max. difference allowed = 0.2079E-05 Log Log Log Species(n) Molality Molality Activity Activity Gamma Gamma 1 H+ 0.10622E-02 -2.9738 0.88260E-03 -3.0542 0.83093E+00 -0.0804 2 H2O 0.99491E+00 -0.0022 0.99491E+00 -0.0022 3 Cl- 0.21645E-01 -1.6646 0.17868E-01 -1.7479 0.82554E+00 -0.0833 4 SO4-- 0.29243E-05 -5.5340 0.14725E-05 -5.8319 0.50353E+00 -0.2980 5 HCO3- 0.16207E-03 -3.7903 0.13401E-03 -3.8729 0.82684E+00 -0.0826 6 HS- 0.81565E-05 -5.0885 0.67345E-05 -5.1717 0.82567E+00 -0.0832 7 Al+++ 0.29939E-08 -8.5238 0.64866E-09 -9.1880 0.21666E+00 -0.6642 8 H4SiO4 0.10142E-02 -2.9939 0.10142E-02 -2.9939 0.10000E+01 0.0000 9 Ca++ 0.21311E-06 -6.6714 0.10646E-06 -6.9728 0.49954E+00 -0.3014 10 Mg++ 0.85471E-10 -10.0682 0.42485E-10 -10.3718 0.49707E+00 -0.3036 11 Fe++ 0.21180E-09 -9.6741 0.10541E-09 -9.9771 0.49766E+00 -0.3031 12 K+ 0.14772E-03 -3.8306 0.12217E-03 -3.9130 0.82705E+00 -0.0825 13 Na+ 0.20856E-01 -1.6808 0.17214E-01 -1.7641 0.82537E+00 -0.0833 14 Mn++ 0.22051E-08 -8.6566 0.10983E-08 -8.9593 0.49810E+00 -0.3027 15 F- 0.24409E-03 -3.6125 0.20106E-03 -3.6967 0.82371E+00 -0.0842 16 HPO4-- 0.34434E-11 -11.4630 0.17341E-11 -11.7609 0.50361E+00 -0.2979 17 SiF6-2 0.26233E-12 -12.5812 0.13179E-12 -12.8801 0.50238E+00 -0.2990 18 HSiO3- 0.13064E-08 -8.8839 0.10785E-08 -8.9672 0.82554E+00 -0.0833 19 Ca(HSiO3)+ 0.31607E-14 -14.5002 0.26147E-14 -14.5826 0.82724E+00 -0.0824 20 Mg(HSiO3)+ 0.15698E-17 -17.8041 0.12986E-17 -17.8865 0.82724E+00 -0.0824 21 NaHSiO3,aq 0.30027E-09 -9.5225 0.30027E-09 -9.5225 0.10000E+01 0.0000 22 AlO+ 0.13624E-09 -9.8657 0.11271E-09 -9.9480 0.82724E+00 -0.0824 23 AlOH+2 0.99338E-09 -9.0029 0.49533E-09 -9.3051 0.49863E+00 -0.3022 24 HAlO2,aq 0.25302E-10 -10.5968 0.25302E-10 -10.5968 0.10000E+01 0.0000 25 AlO2- 0.77018E-13 -13.1134 0.63458E-13 -13.1975 0.82393E+00 -0.0841 26 CH4,aq 0.61702E-09 -9.2097 0.59232E-09 -9.2274 0.95997E+00 -0.0177 27 C2H6,aq 0.19424E-19 -19.7117 0.18647E-19 -19.7294 0.95997E+00 -0.0177 31 CO,aq 0.20630E-10 -10.6855 0.20630E-10 -10.6855 0.10000E+01 0.0000 32 CO2,aq 0.26461E+00 -0.5774 0.25401E+00 -0.5951 0.95997E+00 -0.0177 33 CO3-2 0.26398E-10 -10.5784 0.13262E-10 -10.8774 0.50238E+00 -0.2990 34 CaCO3,aq 0.17702E-13 -13.7520 0.17702E-13 -13.7520 0.10000E+01 0.0000 35 Ca(HCO3)+ 0.44019E-09 -9.3564 0.36414E-09 -9.4387 0.82724E+00 -0.0824 36 CaCl+ 0.37212E-08 -8.4293 0.30783E-08 -8.5117 0.82724E+00 -0.0824 37 CaCl2,aq 0.13068E-10 -10.8838 0.13068E-10 -10.8838 0.10000E+01 0.0000 38 CaF+ 0.37775E-09 -9.4228 0.31249E-09 -9.5052 0.82724E+00 -0.0824 39 CaOH+ 0.10339E-13 -13.9855 0.85525E-14 -14.0679 0.82724E+00 -0.0824 40 CaSO4,aq 0.49777E-10 -10.3030 0.49777E-10 -10.3030 0.10000E+01 0.0000 41 HCl,aq 0.28899E-05 -5.5391 0.28899E-05 -5.5391 0.10000E+01 0.0000 45 HF,aq 0.12148E-02 -2.9155 0.12148E-02 -2.9155 0.10000E+01 0.0000 46 HF2- 0.99887E-07 -7.0005 0.82461E-07 -7.0838 0.82554E+00 -0.0833 48 FeCl+ 0.36037E-11 -11.4432 0.29811E-11 -11.5256 0.82724E+00 -0.0824 49 FeCl2,aq 0.16865E-17 -17.7730 0.16865E-17 -17.7730 0.10000E+01 0.0000 51 FeF+ 0.13091E-11 -11.8830 0.10830E-11 -11.9654 0.82724E+00 -0.0824 52 FeF+2 0.47869E-18 -18.3199 0.23869E-18 -18.6222 0.49863E+00 -0.3022 54 FeOH+ 0.46754E-14 -14.3302 0.38677E-14 -14.4126 0.82724E+00 -0.0824 56 FeO+ 0.19663E-18 -18.7064 0.16266E-18 -18.7887 0.82724E+00 -0.0824 57 FeOH+2 0.54983E-19 -19.2598 0.27416E-19 -19.5620 0.49863E+00 -0.3022 60 H2,aq 0.33507E-08 -8.4749 0.32166E-08 -8.4926 0.95997E+00 -0.0177 61 KCl,aq 0.39566E-07 -7.4027 0.39566E-07 -7.4027 0.10000E+01 0.0000 62 KHSO4,aq 0.44892E-12 -12.3478 0.44892E-12 -12.3478 0.10000E+01 0.0000 63 KOH,aq 0.58814E-13 -13.2305 0.58814E-13 -13.2305 0.10000E+01 0.0000 64 KSO4- 0.33815E-08 -8.4709 0.27916E-08 -8.5542 0.82554E+00 -0.0833 65 MgCO3,aq 0.17708E-17 -17.7518 0.17708E-17 -17.7518 0.10000E+01 0.0000 66 Mg(HCO3)+ 0.17951E-12 -12.7459 0.14850E-12 -12.8283 0.82724E+00 -0.0824 67 MgCl+ 0.13460E-11 -11.8710 0.11135E-11 -11.9533 0.82724E+00 -0.0824 68 MgF+ 0.55845E-12 -12.2530 0.46197E-12 -12.3354 0.82724E+00 -0.0824 69 MgOH+ 0.22831E-16 -16.6415 0.18887E-16 -16.7238 0.82724E+00 -0.0824 71 MnF+ 0.44963E-11 -11.3471 0.37196E-11 -11.4295 0.82724E+00 -0.0824 73 MnOH+ 0.45258E-14 -14.3443 0.37439E-14 -14.4267 0.82724E+00 -0.0824 78 MnCl+ 0.14609E-09 -9.8354 0.12085E-09 -9.9177 0.82724E+00 -0.0824 79 MnSO4,aq 0.46690E-12 -12.3308 0.46690E-12 -12.3308 0.10000E+01 0.0000 80 NaCl,aq 0.10194E-03 -3.9917 0.10194E-03 -3.9917 0.10000E+01 0.0000 81 NaF,aq 0.81028E-06 -6.0914 0.81028E-06 -6.0914 0.10000E+01 0.0000 82 NaOH,aq 0.83372E-11 -11.0790 0.83372E-11 -11.0790 0.10000E+01 0.0000 84 OH- 0.79048E-09 -9.1021 0.65130E-09 -9.1862 0.82393E+00 -0.0841 91 H2PO3- 0.37457E-19 -19.4265 0.30922E-19 -19.5097 0.82554E+00 -0.0833 92 H3PO4,aq 0.94477E-08 -8.0247 0.94477E-08 -8.0247 0.10000E+01 0.0000 93 H2PO4- 0.34166E-07 -7.4664 0.28234E-07 -7.5492 0.82638E+00 -0.0828 95 H4P2O7,aq 0.11828E-17 -17.9271 0.11828E-17 -17.9271 0.10000E+01 0.0000 96 H3P2O7- 0.20726E-16 -16.6835 0.17110E-16 -16.7668 0.82554E+00 -0.0833 97 H2P2O7-2 0.12505E-15 -15.9029 0.62824E-16 -16.2019 0.50238E+00 -0.2990 98 HP2O7-3 0.65529E-19 -19.1836 0.14213E-19 -19.8473 0.21690E+00 -0.6637 100 H2S,aq 0.19136E-01 -1.7181 0.18370E-01 -1.7359 0.95997E+00 -0.0177 101 S2-2 0.62190E-12 -12.2063 0.31243E-12 -12.5052 0.50238E+00 -0.2990 102 S3-2 0.47852E-11 -11.3201 0.24040E-11 -11.6191 0.50238E+00 -0.2990 103 S3- 0.30377E-07 -7.5175 0.25077E-07 -7.6007 0.82554E+00 -0.0833 104 S4-2 0.24322E-10 -10.6140 0.12219E-10 -10.9130 0.50238E+00 -0.2990 105 S5-2 0.82431E-10 -10.0839 0.41412E-10 -10.3829 0.50238E+00 -0.2990 106 SO2,aq 0.16646E-10 -10.7787 0.16646E-10 -10.7787 0.10000E+01 0.0000 107 SO3-2 0.12125E-14 -14.9163 0.61863E-15 -15.2086 0.51022E+00 -0.2922 108 HSO3- 0.41411E-10 -10.3829 0.34187E-10 -10.4661 0.82554E+00 -0.0833 109 HSO4- 0.15124E-05 -5.8203 0.12525E-05 -5.9022 0.82811E+00 -0.0819 111 S2O3-2 0.63573E-09 -9.1967 0.31938E-09 -9.4957 0.50238E+00 -0.2990 112 HS2O3- 0.61052E-10 -10.2143 0.50401E-10 -10.2976 0.82554E+00 -0.0833 113 H2S2O3,aq 0.71313E-12 -12.1468 0.71313E-12 -12.1468 0.10000E+01 0.0000 121 S4O6-2 0.10435E-16 -16.9815 0.52422E-17 -17.2805 0.50238E+00 -0.2990 Charge balance for all species = -.5762E-08 Component Molality Aq.molality ppm log[A(N)/A(H+)**Z] (total) 1 H+ 0.1062184E-02 0.2860253E+00 0.2844023E+03 0.0000 2 H2O 0.1000000E+01 0.5524364E+02 0.9817881E+06 0.0000 3 Cl- 0.2164463E-01 0.2174950E-01 0.7606700E+03 1.3063 4 SO4-- 0.2924316E-05 0.4458540E-05 0.4225094E+00 0.2765 5 HCO3- 0.1620696E-03 0.2647694E+00 0.1593727E+05 -0.8186 6 HS- 0.8156467E-05 0.1914465E-01 0.6245996E+03 -2.1175 7 Al+++ 0.2993916E-08 0.4148916E-08 0.1104319E-03 -0.0253 8 H4SiO4 0.1014230E-02 0.1014231E-02 0.9616654E+02 -2.9939 9 Ca++ 0.2131077E-06 0.2177098E-06 0.8607517E-02 -0.8644 10 Mg++ 0.8547062E-10 0.8755460E-10 0.2099876E-05 -4.2633 11 Fe++ 0.2118017E-09 0.2167192E-09 0.1193964E-04 -3.8687 12 K+ 0.1477199E-03 0.1477629E-03 0.5699783E+01 -0.8588 13 Na+ 0.2085612E-01 0.2095887E-01 0.4753319E+03 1.2901 14 Mn++ 0.2205057E-08 0.2356117E-08 0.1276920E-03 -2.8508 15 F- 0.2440866E-03 0.1459875E-02 0.2736008E+02 -0.6424 16 HPO4-- 0.3443355E-11 0.4361675E-07 0.4129747E-02 -5.6525 Component Tot moles Aq. moles Solid moles Gas moles 1 H+ 0.3568349E+00 0.2733784E+00 0.8345645E-01 0.0000000E+00 2 H2O 0.5271185E+02 0.5280099E+02 -.8913532E-01 0.0000000E+00 3 Cl- 0.2078783E-01 0.2078783E-01 0.0000000E+00 0.0000000E+00 4 SO4-- 0.1669747E-01 0.4261401E-05 0.1669321E-01 0.0000000E+00 5 HCO3- 0.2530623E+00 0.2530623E+00 0.0000000E+00 0.0000000E+00 6 HS- 0.6837779E-01 0.1829814E-01 0.5007965E-01 0.0000000E+00 7 Al+++ 0.4775352E-05 0.3965467E-08 0.4771387E-05 0.0000000E+00 8 H4SiO4 0.1215302E-01 0.9693861E-03 0.1118363E-01 0.0000000E+00 9 Ca++ 0.2080835E-06 0.2080835E-06 0.0000000E+00 0.0000000E+00 10 Mg++ 0.8368328E-10 0.8368328E-10 0.0000000E+00 0.0000000E+00 11 Fe++ 0.3259227E-07 0.2071367E-09 0.3238513E-07 0.0000000E+00 12 K+ 0.1412294E-03 0.1412294E-03 0.0000000E+00 0.0000000E+00 13 Na+ 0.2003215E-01 0.2003215E-01 0.0000000E+00 0.0000000E+00 14 Mn++ 0.2251939E-08 0.2251939E-08 0.0000000E+00 0.0000000E+00 15 F- 0.1400096E-02 0.1395325E-02 0.4771387E-05 0.0000000E+00 16 HPO4-- 0.4168819E-07 0.4168819E-07 0.0000000E+00 0.0000000E+00 Chg. balance for solid moles: 0.1189E-16 Mass of aqueous solution: 0.968871E+03 g Temperature = 100.00 C Pressure = 50.00 bar Mixer frac. = 3.4999900 Log Log Vol Gas or mineral Moles Moles Grams Grams Wt.% (cm3) pyrite 0.3239E-07 -7.490 0.3886E-05 -5.411 0.1381E-03 0.7753E-06 quartz 0.1118E-01 -1.952 0.6718 -0.173 23.88 0.2537 sulfur 0.6677E-01 -1.175 2.141 0.331 76.10 1.036 topaz 0.2386E-05 -5.622 0.4391E-03 -3.357 0.1561E-01 0.1229E-03 Partial press. Fugacity coef Log fugacity Gas or Mineral Mole fraction or activity Activity coef Log activity pyrite 0.1000E+01 0.1000E+01 1.0000 0.000 quartz 0.1000E+01 0.1000E+01 1.0000 0.000 sulfur 0.1000E+01 0.1000E+01 1.0000 0.000 topaz 0.1000E+01 0.1000E+01 1.0000 0.000 Solid products produced: Mass = 2.812948 g Volume = 1.289486 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. Reactant consumed: 3.4999900 moles log = 0.5441 Original solution: 1000.0103000 g Original solution / Rock added: 285.72 (Water/Rock Ratio), log = 2.4559 Gas composition at saturation ( 3 iterations) ------------------------------------------------- Temperature: 100.0000 deg.C Sat. pressure: 31.4563 bar Gas Mole fraction phi Fugacity Partial P(bar) H2O,gas 0.3795E-01 0.8384 0.1001E+01 0.1194E+01 CO2,gas 0.9440E+00 0.9152 0.2718E+02 0.2969E+02 CH4,gas 0.2707E-07 1.0239 0.8719E-06 0.8515E-06 H2,gas 0.1320E-06 1.0169 0.4223E-05 0.4153E-05 H2S,gas 0.1809E-01 0.8873 0.5050E+00 0.5691E+00 S2,gas 0.1706E-10 1.0000 0.5368E-09 0.5368E-09 CO,gas 0.9773E-09 1.0000 0.3074E-07 0.3074E-07 SO3,gas 0.1386E-28 1.0000 0.4359E-27 0.4359E-27 SO2,gas 0.2288E-11 1.0000 0.7198E-10 0.7198E-10 HF,gas 0.9482E-07 1.0000 0.2983E-05 0.2983E-05 HCl,gas 0.1621E-09 1.0000 0.5099E-08 0.5099E-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 145 pyrite -21.25 -21.25 0.00 0.000 -0.60662E-11 150 quartz -2.99 -2.99 0.00 0.000 0.00000E+00 172 sulfur -9.15 -9.15 0.00 0.000 0.00000E+00 214 topaz -16.55 -16.55 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 1.70 0.00 -1.70 -1.699 0.29003E+04 0.000 2 CO2,gas -6.66 -6.92 -0.26 -0.088 0.45209E+03 1.434 3 CH4,gas 4.54 -3.21 -7.76 -1.940 0.13247E+05 -6.060 4 H2,gas 8.00 0.93 -7.07 -4.042 0.12078E+05 -5.374 5 H2S,gas -6.23 -8.23 -2.00 -0.998 0.34076E+04 -0.297 6 S2,gas -7.34 -18.30 -10.97 -1.688 0.18730E+05 -9.270 7 CO,gas 3.21 -6.00 -9.21 -2.834 0.15728E+05 -7.512 8 SO3,gas 17.12 -11.94 -29.06 -7.265 0.49618E+05 -27.361 9 SO2,gas 0.83 -11.01 -11.84 -3.158 0.20219E+05 -10.143 10 HF,gas 0.47 -6.75 -7.22 -3.612 0.12335E+05 -5.525 11 HCl,gas 5.19 -4.80 -9.99 -4.996 0.17060E+05 -8.292 57 coesite -2.38 -2.99 -0.61 -0.204 0.10473E+04 64 cristobalite -2.56 -2.99 -0.43 -0.143 0.73267E+03 68 diaspore 2.87 -0.03 -2.90 -0.484 0.49575E+04 69 diamond -3.10 -5.07 -1.97 -0.562 0.33556E+04 86 gibbsite 4.08 -0.03 -4.11 -0.587 0.70198E+04 89 graphite -3.55 -5.07 -1.52 -0.435 0.25979E+04 101 kaolinite -1.33 -6.04 -4.71 -0.428 0.80383E+04 181 tridymite -2.63 -2.99 -0.36 -0.121 0.61998E+03 202 chalcedony -2.80 -2.99 -0.19 -0.062 0.31930E+03 237 boehmite 4.41 -0.03 -4.44 -0.739 0.75744E+04 240 fluorite -9.93 -14.37 -4.44 -1.478 0.75735E+04 245 silica-amorphous -2.09 -2.99 -0.90 -0.299 0.15335E+04 Calculations done for 100.0000 Deg. C; 50.0000 bar Next reactant titration increment of: 0.1000000 MOLES Current total amount of reactant added: 3.4999900 MOLES New total amount of reactant added: 3.5999900 MOLES Solids and gases carried Charge balance check after fractionation or titration: TBAL = -.5508E-08 ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ Magmatic gas scrubbing preliminary calculation. React meteoric water with andesite, Getahun et al. 1996 J. Volc. Geotherm. Res. 71(73-107). Table 1 page 82 sample MAF-1 ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ Number of loops used = 11 Loop limit = 400 Temperature = 100.00 C Pressure = 50.00 bar Mixer fraction = 3.5999900 Water: Moles liquid = 0.5314E+02 kg liquid = 0.9574E+00 Moles total = 0.5279E+02 kg total = 0.9511E+00 Activity = 0.9948 Stoichiometric ionic strength = .1690395E+00 Osmotic coef. = 0.9178 True ionic strength = .2252557E-01 Chg. balance for total moles = -.5508E-08 Max. difference allowed = 0.2138E-05 Log Log Log Species(n) Molality Molality Activity Activity Gamma Gamma 1 H+ 0.15579E-02 -2.8075 0.12926E-02 -2.8885 0.82972E+00 -0.0811 2 H2O 0.99478E+00 -0.0023 0.99478E+00 -0.0023 3 Cl- 0.22220E-01 -1.6533 0.18315E-01 -1.7372 0.82425E+00 -0.0839 4 SO4-- 0.12701E-05 -5.8961 0.63595E-06 -6.1966 0.50069E+00 -0.3004 5 HCO3- 0.11372E-03 -3.9442 0.93883E-04 -4.0274 0.82558E+00 -0.0832 6 HS- 0.57209E-05 -5.2425 0.47162E-05 -5.3264 0.82439E+00 -0.0839 7 Al+++ 0.87854E-08 -8.0562 0.18792E-08 -8.7260 0.21390E+00 -0.6698 8 H4SiO4 0.10140E-02 -2.9940 0.10140E-02 -2.9940 0.10000E+01 0.0000 9 Ca++ 0.21292E-06 -6.6718 0.10575E-06 -6.9757 0.49665E+00 -0.3039 10 Mg++ 0.85493E-10 -10.0681 0.42248E-10 -10.3742 0.49416E+00 -0.3061 11 Fe++ 0.44554E-09 -9.3511 0.22044E-09 -9.6567 0.49476E+00 -0.3056 12 K+ 0.14747E-03 -3.8313 0.12178E-03 -3.9144 0.82579E+00 -0.0831 13 Na+ 0.20818E-01 -1.6816 0.17156E-01 -1.7656 0.82409E+00 -0.0840 14 Mn++ 0.21998E-08 -8.6576 0.10894E-08 -8.9628 0.49521E+00 -0.3052 15 F- 0.18103E-03 -3.7423 0.14887E-03 -3.8272 0.82240E+00 -0.0849 16 HPO4-- 0.21423E-11 -11.6691 0.10728E-11 -11.9695 0.50077E+00 -0.3004 17 SiF6-2 0.20012E-12 -12.6987 0.99966E-13 -13.0001 0.49953E+00 -0.3014 18 HSiO3- 0.89328E-09 -9.0490 0.73629E-09 -9.1330 0.82425E+00 -0.0839 19 Ca(HSiO3)+ 0.21468E-14 -14.6682 0.17732E-14 -14.7512 0.82598E+00 -0.0830 20 Mg(HSiO3)+ 0.10674E-17 -17.9717 0.88163E-18 -18.0547 0.82598E+00 -0.0830 21 NaHSiO3,aq 0.20430E-09 -9.6897 0.20430E-09 -9.6897 0.10000E+01 0.0000 22 AlO+ 0.18428E-09 -9.7345 0.15221E-09 -9.8176 0.82598E+00 -0.0830 23 AlOH+2 0.19762E-08 -8.7042 0.97970E-09 -9.0089 0.49574E+00 -0.3047 24 HAlO2,aq 0.23328E-10 -10.6321 0.23328E-10 -10.6321 0.10000E+01 0.0000 25 AlO2- 0.48563E-13 -13.3137 0.39949E-13 -13.3985 0.82263E+00 -0.0848 26 CH4,aq 0.70139E-09 -9.1540 0.67277E-09 -9.1721 0.95920E+00 -0.0181 27 C2H6,aq 0.24453E-19 -19.6117 0.23455E-19 -19.6298 0.95920E+00 -0.0181 31 CO,aq 0.21716E-10 -10.6632 0.21716E-10 -10.6632 0.10000E+01 0.0000 32 CO2,aq 0.27175E+00 -0.5658 0.26067E+00 -0.5839 0.95920E+00 -0.0181 33 CO3-2 0.12700E-10 -10.8962 0.63439E-11 -11.1976 0.49953E+00 -0.3014 34 CaCO3,aq 0.84119E-14 -14.0751 0.84119E-14 -14.0751 0.10000E+01 0.0000 35 Ca(HCO3)+ 0.30681E-09 -9.5131 0.25342E-09 -9.5962 0.82598E+00 -0.0830 36 CaCl+ 0.37946E-08 -8.4208 0.31343E-08 -8.5039 0.82598E+00 -0.0830 37 CaCl2,aq 0.13638E-10 -10.8652 0.13638E-10 -10.8652 0.10000E+01 0.0000 38 CaF+ 0.27828E-09 -9.5555 0.22985E-09 -9.6385 0.82598E+00 -0.0830 39 CaOH+ 0.70220E-14 -14.1535 0.58001E-14 -14.2366 0.82598E+00 -0.0830 40 CaSO4,aq 0.21355E-10 -10.6705 0.21355E-10 -10.6705 0.10000E+01 0.0000 41 HCl,aq 0.43382E-05 -5.3627 0.43382E-05 -5.3627 0.10000E+01 0.0000 45 HF,aq 0.13174E-02 -2.8803 0.13174E-02 -2.8803 0.10000E+01 0.0000 46 HF2- 0.80335E-07 -7.0951 0.66216E-07 -7.1790 0.82425E+00 -0.0839 48 FeCl+ 0.77366E-11 -11.1114 0.63903E-11 -11.1945 0.82598E+00 -0.0830 49 FeCl2,aq 0.37055E-17 -17.4312 0.37055E-17 -17.4312 0.10000E+01 0.0000 51 FeF+ 0.20303E-11 -11.6924 0.16770E-11 -11.7755 0.82598E+00 -0.0830 52 FeF+2 0.10782E-17 -17.9673 0.53453E-18 -18.2720 0.49574E+00 -0.3047 54 FeOH+ 0.66855E-14 -14.1749 0.55221E-14 -14.2579 0.82598E+00 -0.0830 56 FeO+ 0.27763E-18 -18.5565 0.22932E-18 -18.6396 0.82598E+00 -0.0830 57 FeOH+2 0.11419E-18 -18.9424 0.56607E-19 -19.2471 0.49574E+00 -0.3047 60 H2,aq 0.34393E-08 -8.4635 0.32990E-08 -8.4816 0.95920E+00 -0.0181 61 KCl,aq 0.40423E-07 -7.3934 0.40423E-07 -7.3934 0.10000E+01 0.0000 62 KHSO4,aq 0.28304E-12 -12.5482 0.28304E-12 -12.5482 0.10000E+01 0.0000 63 KOH,aq 0.40023E-13 -13.3977 0.40023E-13 -13.3977 0.10000E+01 0.0000 64 KSO4- 0.14580E-08 -8.8362 0.12018E-08 -8.9202 0.82425E+00 -0.0839 65 MgCO3,aq 0.84237E-18 -18.0745 0.84237E-18 -18.0745 0.10000E+01 0.0000 66 Mg(HCO3)+ 0.12525E-12 -12.9022 0.10345E-12 -12.9853 0.82598E+00 -0.0830 67 MgCl+ 0.13740E-11 -11.8620 0.11349E-11 -11.9450 0.82598E+00 -0.0830 68 MgF+ 0.41183E-12 -12.3853 0.34016E-12 -12.4683 0.82598E+00 -0.0830 69 MgOH+ 0.15524E-16 -16.8090 0.12822E-16 -16.8920 0.82598E+00 -0.0830 71 MnF+ 0.33072E-11 -11.4805 0.27317E-11 -11.5636 0.82598E+00 -0.0830 73 MnOH+ 0.30692E-14 -14.5130 0.25351E-14 -14.5960 0.82598E+00 -0.0830 78 MnCl+ 0.14875E-09 -9.8276 0.12286E-09 -9.9106 0.82598E+00 -0.0830 79 MnSO4,aq 0.20000E-12 -12.6990 0.20000E-12 -12.6990 0.10000E+01 0.0000 80 NaCl,aq 0.10413E-03 -3.9824 0.10413E-03 -3.9824 0.10000E+01 0.0000 81 NaF,aq 0.59796E-06 -6.2233 0.59796E-06 -6.2233 0.10000E+01 0.0000 82 NaOH,aq 0.56727E-11 -11.2462 0.56727E-11 -11.2462 0.10000E+01 0.0000 84 OH- 0.54052E-09 -9.2672 0.44465E-09 -9.3520 0.82263E+00 -0.0848 91 H2PO3- 0.34866E-19 -19.4576 0.28739E-19 -19.5415 0.82425E+00 -0.0839 92 H3PO4,aq 0.12537E-07 -7.9018 0.12537E-07 -7.9018 0.10000E+01 0.0000 93 H2PO4- 0.31003E-07 -7.5086 0.25581E-07 -7.5921 0.82511E+00 -0.0835 95 H4P2O7,aq 0.20830E-17 -17.6813 0.20830E-17 -17.6813 0.10000E+01 0.0000 96 H3P2O7- 0.24960E-16 -16.6028 0.20574E-16 -16.6867 0.82425E+00 -0.0839 97 H2P2O7-2 0.10326E-15 -15.9861 0.51581E-16 -16.2875 0.49953E+00 -0.3014 98 HP2O7-3 0.37207E-19 -19.4294 0.79679E-20 -20.0987 0.21415E+00 -0.6693 100 H2S,aq 0.19643E-01 -1.7068 0.18841E-01 -1.7249 0.95920E+00 -0.0181 101 S2-2 0.29907E-12 -12.5242 0.14939E-12 -12.8257 0.49953E+00 -0.3014 102 S3-2 0.23012E-11 -11.6380 0.11495E-11 -11.9395 0.49953E+00 -0.3014 103 S3- 0.21038E-07 -7.6770 0.17341E-07 -7.7609 0.82425E+00 -0.0839 104 S4-2 0.11696E-10 -10.9320 0.58426E-11 -11.2334 0.49953E+00 -0.3014 105 S5-2 0.39641E-10 -10.4019 0.19802E-10 -10.7033 0.49953E+00 -0.3014 106 SO2,aq 0.15820E-10 -10.8008 0.15820E-10 -10.8008 0.10000E+01 0.0000 107 SO3-2 0.54009E-15 -15.2675 0.27407E-15 -15.5621 0.50745E+00 -0.2946 108 HSO3- 0.26911E-10 -10.5701 0.22181E-10 -10.6540 0.82425E+00 -0.0839 109 HSO4- 0.95809E-06 -6.0186 0.79221E-06 -6.1012 0.82687E+00 -0.0826 111 S2O3-2 0.28325E-09 -9.5478 0.14149E-09 -9.8493 0.49953E+00 -0.3014 112 HS2O3- 0.39674E-10 -10.4015 0.32702E-10 -10.4854 0.82425E+00 -0.0839 113 H2S2O3,aq 0.67765E-12 -12.1690 0.67765E-12 -12.1690 0.10000E+01 0.0000 121 S4O6-2 0.43075E-17 -17.3658 0.21517E-17 -17.6672 0.49953E+00 -0.3014 Charge balance for all species = -.5753E-08 Component Molality Aq.molality ppm log[A(N)/A(H+)**Z] (total) 1 H+ 0.1557890E-02 0.2942768E+00 0.2925061E+03 0.0000 2 H2O 0.1000000E+01 0.5523650E+02 0.9813227E+06 0.0000 3 Cl- 0.2221996E-01 0.2232847E-01 0.7806498E+03 1.1513 4 SO4-- 0.1270147E-05 0.2241703E-05 0.2123597E+00 -0.4195 5 HCO3- 0.1137175E-03 0.2718672E+00 0.1635887E+05 -1.1389 6 HS- 0.5720864E-05 0.1964834E-01 0.6408118E+03 -2.4379 7 Al+++ 0.8785420E-08 0.1096932E-07 0.2918705E-03 -0.0604 8 H4SiO4 0.1013952E-02 0.1013953E-02 0.9610698E+02 -2.9940 9 Ca++ 0.2129220E-06 0.2173367E-06 0.8589807E-02 -1.1987 10 Mg++ 0.8549347E-10 0.8740458E-10 0.2095555E-05 -4.5971 11 Fe++ 0.4455445E-09 0.4553182E-09 0.2507605E-04 -3.8797 12 K+ 0.1474678E-03 0.1475097E-03 0.5688055E+01 -1.0259 13 Na+ 0.2081823E-01 0.2092296E-01 0.4743539E+03 1.1229 14 Mn++ 0.2199825E-08 0.2352080E-08 0.1274293E-03 -3.1858 15 F- 0.1810256E-03 0.1499159E-02 0.2808663E+02 -0.9386 16 HPO4-- 0.2142302E-11 0.4354202E-07 0.4121250E-02 -6.1924 Component Tot moles Aq. moles Solid moles Gas moles 1 H+ 0.3676024E+00 0.2817478E+00 0.8585454E-01 0.0000000E+00 2 H2O 0.5279372E+02 0.5288477E+02 -.9105099E-01 0.0000000E+00 3 Cl- 0.2137783E-01 0.2137783E-01 0.0000000E+00 0.0000000E+00 4 SO4-- 0.1717497E-01 0.2146261E-05 0.1717282E-01 0.0000000E+00 5 HCO3- 0.2602923E+00 0.2602923E+00 0.0000000E+00 0.0000000E+00 6 HS- 0.7033029E-01 0.1881180E-01 0.5151849E-01 0.0000000E+00 7 Al+++ 0.4775352E-05 0.1050230E-07 0.4764850E-05 0.0000000E+00 8 H4SiO4 0.1215302E-01 0.9707831E-03 0.1118224E-01 0.0000000E+00 9 Ca++ 0.2080835E-06 0.2080835E-06 0.0000000E+00 0.0000000E+00 10 Mg++ 0.8368328E-10 0.8368328E-10 0.0000000E+00 0.0000000E+00 11 Fe++ 0.3259227E-07 0.4359327E-09 0.3215634E-07 0.0000000E+00 12 K+ 0.1412294E-03 0.1412294E-03 0.0000000E+00 0.0000000E+00 13 Na+ 0.2003215E-01 0.2003215E-01 0.0000000E+00 0.0000000E+00 14 Mn++ 0.2251939E-08 0.2251939E-08 0.0000000E+00 0.0000000E+00 15 F- 0.1440096E-02 0.1435331E-02 0.4764850E-05 0.0000000E+00 16 HPO4-- 0.4168819E-07 0.4168819E-07 0.0000000E+00 0.0000000E+00 Chg. balance for solid moles: 0.3463E-17 Mass of aqueous solution: 0.970868E+03 g Temperature = 100.00 C Pressure = 50.00 bar Mixer frac. = 3.5999900 Log Log Vol Gas or mineral Moles Moles Grams Grams Wt.% (cm3) pyrite 0.3216E-07 -7.493 0.3858E-05 -5.414 0.1342E-03 0.7698E-06 quartz 0.1118E-01 -1.952 0.6717 -0.173 23.37 0.2537 sulfur 0.6869E-01 -1.163 2.202 0.343 76.62 1.065 topaz 0.2382E-05 -5.623 0.4385E-03 -3.358 0.1525E-01 0.1228E-03 Partial press. Fugacity coef Log fugacity Gas or Mineral Mole fraction or activity Activity coef Log activity pyrite 0.1000E+01 0.1000E+01 1.0000 0.000 quartz 0.1000E+01 0.1000E+01 1.0000 0.000 sulfur 0.1000E+01 0.1000E+01 1.0000 0.000 topaz 0.1000E+01 0.1000E+01 1.0000 0.000 Solid products produced: Mass = 2.874370 g Volume = 1.319210 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. Reactant consumed: 3.5999900 moles log = 0.5563 Original solution: 1000.0103000 g Original solution / Rock added: 277.78 (Water/Rock Ratio), log = 2.4437 Gas composition at saturation ( 3 iterations) ------------------------------------------------- Temperature: 100.0000 deg.C Sat. pressure: 32.3297 bar Gas Mole fraction phi Fugacity Partial P(bar) H2O,gas 0.3711E-01 0.8340 0.1001E+01 0.1200E+01 CO2,gas 0.9448E+00 0.9131 0.2789E+02 0.3054E+02 CH4,gas 0.2990E-07 1.0245 0.9903E-06 0.9666E-06 H2,gas 0.1317E-06 1.0174 0.4331E-05 0.4257E-05 H2S,gas 0.1811E-01 0.8845 0.5179E+00 0.5856E+00 S2,gas 0.1660E-10 1.0000 0.5368E-09 0.5368E-09 CO,gas 0.1001E-08 1.0000 0.3236E-07 0.3236E-07 SO3,gas 0.1249E-28 1.0000 0.4039E-27 0.4039E-27 SO2,gas 0.2116E-11 1.0000 0.6841E-10 0.6841E-10 HF,gas 0.1001E-06 1.0000 0.3235E-05 0.3235E-05 HCl,gas 0.2368E-09 1.0000 0.7655E-08 0.7655E-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 145 pyrite -21.25 -21.25 0.00 0.000 0.00000E+00 150 quartz -2.99 -2.99 0.00 0.000 0.00000E+00 172 sulfur -9.15 -9.15 0.00 0.000 0.00000E+00 214 topaz -16.55 -16.55 0.00 0.000 0.60662E-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 1.70 0.00 -1.70 -1.699 0.29004E+04 0.000 2 CO2,gas -6.66 -6.91 -0.25 -0.085 0.43292E+03 1.445 3 CH4,gas 4.54 -3.16 -7.70 -1.926 0.13153E+05 -6.004 4 H2,gas 8.00 0.94 -7.06 -4.036 0.12059E+05 -5.363 5 H2S,gas -6.23 -8.21 -1.98 -0.992 0.33888E+04 -0.286 6 S2,gas -7.34 -18.30 -10.97 -1.688 0.18730E+05 -9.270 7 CO,gas 3.21 -5.97 -9.19 -2.827 0.15690E+05 -7.490 8 SO3,gas 17.12 -11.97 -29.09 -7.273 0.49675E+05 -27.394 9 SO2,gas 0.83 -11.03 -11.86 -3.164 0.20257E+05 -10.165 10 HF,gas 0.47 -6.72 -7.19 -3.595 0.12275E+05 -5.490 11 HCl,gas 5.19 -4.63 -9.82 -4.908 0.16759E+05 -8.116 57 coesite -2.38 -2.99 -0.61 -0.204 0.10473E+04 64 cristobalite -2.56 -2.99 -0.43 -0.143 0.73267E+03 68 diaspore 2.87 -0.06 -2.94 -0.490 0.50177E+04 69 diamond -3.10 -5.03 -1.93 -0.552 0.32987E+04 86 gibbsite 4.08 -0.07 -4.15 -0.592 0.70801E+04 89 graphite -3.55 -5.03 -1.49 -0.425 0.25410E+04 101 kaolinite -1.33 -6.11 -4.78 -0.434 0.81589E+04 181 tridymite -2.63 -2.99 -0.36 -0.121 0.61998E+03 202 chalcedony -2.80 -2.99 -0.19 -0.062 0.31930E+03 237 boehmite 4.41 -0.06 -4.47 -0.745 0.76346E+04 240 fluorite -9.93 -14.63 -4.70 -1.566 0.80240E+04 245 silica-amorphous -2.09 -2.99 -0.90 -0.299 0.15335E+04 Calculations done for 100.0000 Deg. C; 50.0000 bar Next reactant titration increment of: 0.1000000 MOLES Current total amount of reactant added: 3.5999900 MOLES New total amount of reactant added: 3.6999900 MOLES Solids and gases carried Charge balance check after fractionation or titration: TBAL = -.5508E-08 ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ Magmatic gas scrubbing preliminary calculation. React meteoric water with andesite, Getahun et al. 1996 J. Volc. Geotherm. Res. 71(73-107). Table 1 page 82 sample MAF-1 ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ Number of loops used = 9 Loop limit = 400 Temperature = 100.00 C Pressure = 50.00 bar Mixer fraction = 3.6999900 Water: Moles liquid = 0.5324E+02 kg liquid = 0.9591E+00 Moles total = 0.5288E+02 kg total = 0.9526E+00 Activity = 0.9946 Stoichiometric ionic strength = .1731599E+00 Osmotic coef. = 0.9176 True ionic strength = .2302992E-01 Chg. balance for total moles = -.5508E-08 Max. difference allowed = 0.2197E-05 Log Log Log Species(n) Molality Molality Activity Activity Gamma Gamma 1 H+ 0.21008E-02 -2.6776 0.17404E-02 -2.7594 0.82842E+00 -0.0817 2 H2O 0.99464E+00 -0.0023 0.99464E+00 -0.0023 3 Cl- 0.22793E-01 -1.6422 0.18756E-01 -1.7269 0.82287E+00 -0.0847 4 SO4-- 0.65427E-06 -6.1842 0.32557E-06 -6.4873 0.49762E+00 -0.3031 5 HCO3- 0.86732E-04 -4.0618 0.71485E-04 -4.1458 0.82421E+00 -0.0840 6 HS- 0.43627E-05 -5.3602 0.35905E-05 -5.4448 0.82300E+00 -0.0846 7 Al+++ 0.20535E-07 -7.6875 0.43317E-08 -8.3633 0.21095E+00 -0.6758 8 H4SiO4 0.10137E-02 -2.9941 0.10137E-02 -2.9941 0.10000E+01 0.0000 9 Ca++ 0.21263E-06 -6.6724 0.10494E-06 -6.9791 0.49354E+00 -0.3067 10 Mg++ 0.85439E-10 -10.0683 0.41952E-10 -10.3772 0.49102E+00 -0.3089 11 Fe++ 0.79298E-09 -9.1007 0.38985E-09 -9.4091 0.49162E+00 -0.3084 12 K+ 0.14722E-03 -3.8320 0.12137E-03 -3.9159 0.82443E+00 -0.0838 13 Na+ 0.20780E-01 -1.6823 0.17096E-01 -1.7671 0.82270E+00 -0.0848 14 Mn++ 0.21942E-08 -8.6587 0.10797E-08 -8.9667 0.49207E+00 -0.3080 15 F- 0.14263E-03 -3.8458 0.11710E-03 -3.9315 0.82098E+00 -0.0857 16 HPO4-- 0.14517E-11 -11.8381 0.72253E-12 -12.1411 0.49770E+00 -0.3030 17 SiF6-2 0.15671E-12 -12.8049 0.77799E-13 -13.1090 0.49644E+00 -0.3041 18 HSiO3- 0.66449E-09 -9.1775 0.54679E-09 -9.2622 0.82287E+00 -0.0847 19 Ca(HSiO3)+ 0.15847E-14 -14.8001 0.13067E-14 -14.8838 0.82463E+00 -0.0837 20 Mg(HSiO3)+ 0.78840E-18 -18.1033 0.65014E-18 -18.1870 0.82463E+00 -0.0837 21 NaHSiO3,aq 0.15119E-09 -9.8205 0.15119E-09 -9.8205 0.10000E+01 0.0000 22 AlO+ 0.23468E-09 -9.6295 0.19352E-09 -9.7133 0.82463E+00 -0.0837 23 AlOH+2 0.34044E-08 -8.4680 0.16770E-08 -8.7755 0.49261E+00 -0.3075 24 HAlO2,aq 0.22026E-10 -10.6571 0.22026E-10 -10.6571 0.10000E+01 0.0000 25 AlO2- 0.34114E-13 -13.4671 0.28015E-13 -13.5526 0.82122E+00 -0.0855 26 CH4,aq 0.79471E-09 -9.0998 0.76168E-09 -9.1182 0.95845E+00 -0.0184 27 C2H6,aq 0.30602E-19 -19.5143 0.29330E-19 -19.5327 0.95845E+00 -0.0184 31 CO,aq 0.22826E-10 -10.6416 0.22826E-10 -10.6416 0.10000E+01 0.0000 32 CO2,aq 0.27885E+00 -0.5546 0.26727E+00 -0.5731 0.95845E+00 -0.0184 33 CO3-2 0.72269E-11 -11.1410 0.35877E-11 -11.4452 0.49644E+00 -0.3041 34 CaCO3,aq 0.47208E-14 -14.3260 0.47208E-14 -14.3260 0.10000E+01 0.0000 35 Ca(HCO3)+ 0.23221E-09 -9.6341 0.19149E-09 -9.7179 0.82463E+00 -0.0837 36 CaCl+ 0.38626E-08 -8.4131 0.31852E-08 -8.4969 0.82463E+00 -0.0837 37 CaCl2,aq 0.14193E-10 -10.8479 0.14193E-10 -10.8479 0.10000E+01 0.0000 38 CaF+ 0.21756E-09 -9.6624 0.17941E-09 -9.7462 0.82463E+00 -0.0837 39 CaOH+ 0.51834E-14 -14.2854 0.42743E-14 -14.3691 0.82463E+00 -0.0837 40 CaSO4,aq 0.10849E-10 -10.9646 0.10849E-10 -10.9646 0.10000E+01 0.0000 41 HCl,aq 0.59815E-05 -5.2232 0.59815E-05 -5.2232 0.10000E+01 0.0000 45 HF,aq 0.13951E-02 -2.8554 0.13951E-02 -2.8554 0.10000E+01 0.0000 46 HF2- 0.67026E-07 -7.1738 0.55154E-07 -7.2584 0.82287E+00 -0.0847 48 FeCl+ 0.14035E-10 -10.8528 0.11573E-10 -10.9365 0.82463E+00 -0.0837 49 FeCl2,aq 0.68725E-17 -17.1629 0.68725E-17 -17.1629 0.10000E+01 0.0000 51 FeF+ 0.28289E-11 -11.5484 0.23328E-11 -11.6321 0.82463E+00 -0.0837 52 FeF+2 0.20073E-17 -17.6974 0.98879E-18 -18.0049 0.49261E+00 -0.3075 54 FeOH+ 0.87948E-14 -14.0558 0.72524E-14 -14.1395 0.82463E+00 -0.0837 56 FeO+ 0.36074E-18 -18.4428 0.29748E-18 -18.5265 0.82463E+00 -0.0837 57 FeOH+2 0.20070E-18 -18.6974 0.98869E-19 -19.0049 0.49261E+00 -0.3075 60 H2,aq 0.35281E-08 -8.4525 0.33815E-08 -8.4709 0.95845E+00 -0.0184 61 KCl,aq 0.41257E-07 -7.3845 0.41257E-07 -7.3845 0.10000E+01 0.0000 62 KHSO4,aq 0.19444E-12 -12.7112 0.19444E-12 -12.7112 0.10000E+01 0.0000 63 KOH,aq 0.29622E-13 -13.5284 0.29622E-13 -13.5284 0.10000E+01 0.0000 64 KSO4- 0.74516E-09 -9.1278 0.61317E-09 -9.2124 0.82287E+00 -0.0847 65 MgCO3,aq 0.47305E-18 -18.3251 0.47305E-18 -18.3251 0.10000E+01 0.0000 66 Mg(HCO3)+ 0.94856E-13 -13.0229 0.78221E-13 -13.1067 0.82463E+00 -0.0837 67 MgCl+ 0.13995E-11 -11.8540 0.11541E-11 -11.9378 0.82463E+00 -0.0837 68 MgF+ 0.32218E-12 -12.4919 0.26568E-12 -12.5756 0.82463E+00 -0.0837 69 MgOH+ 0.11466E-16 -16.9406 0.94554E-17 -17.0243 0.82463E+00 -0.0837 71 MnF+ 0.25824E-11 -11.5880 0.21295E-11 -11.6717 0.82463E+00 -0.0837 73 MnOH+ 0.22627E-14 -14.6454 0.18659E-14 -14.7291 0.82463E+00 -0.0837 78 MnCl+ 0.15122E-09 -9.8204 0.12470E-09 -9.9041 0.82463E+00 -0.0837 79 MnSO4,aq 0.10148E-12 -12.9936 0.10148E-12 -12.9936 0.10000E+01 0.0000 80 NaCl,aq 0.10626E-03 -3.9736 0.10626E-03 -3.9736 0.10000E+01 0.0000 81 NaF,aq 0.46868E-06 -6.3291 0.46868E-06 -6.3291 0.10000E+01 0.0000 82 NaOH,aq 0.41979E-11 -11.3770 0.41979E-11 -11.3770 0.10000E+01 0.0000 84 OH- 0.40209E-09 -9.3957 0.33021E-09 -9.4812 0.82122E+00 -0.0855 91 H2PO3- 0.32467E-19 -19.4886 0.26716E-19 -19.5732 0.82287E+00 -0.0847 92 H3PO4,aq 0.15306E-07 -7.8151 0.15306E-07 -7.8151 0.10000E+01 0.0000 93 H2PO4- 0.28160E-07 -7.5504 0.23197E-07 -7.6346 0.82374E+00 -0.0842 95 H4P2O7,aq 0.31053E-17 -17.5079 0.31053E-17 -17.5079 0.10000E+01 0.0000 96 H3P2O7- 0.27684E-16 -16.5578 0.22780E-16 -16.6424 0.82287E+00 -0.0847 97 H2P2O7-2 0.85446E-16 -16.0683 0.42419E-16 -16.3724 0.49644E+00 -0.3041 98 HP2O7-3 0.23044E-19 -19.6374 0.48668E-20 -20.3128 0.21119E+00 -0.6753 100 H2S,aq 0.20150E-01 -1.6957 0.19313E-01 -1.7142 0.95845E+00 -0.0184 101 S2-2 0.17016E-12 -12.7691 0.84474E-13 -13.0733 0.49644E+00 -0.3041 102 S3-2 0.13093E-11 -11.8830 0.64998E-12 -12.1871 0.49644E+00 -0.3041 103 S3- 0.15846E-07 -7.8001 0.13040E-07 -7.8847 0.82287E+00 -0.0847 104 S4-2 0.66547E-11 -11.1769 0.33037E-11 -11.4810 0.49644E+00 -0.3041 105 S5-2 0.22554E-10 -10.6468 0.11197E-10 -10.9509 0.49644E+00 -0.3041 106 SO2,aq 0.15053E-10 -10.8224 0.15053E-10 -10.8224 0.10000E+01 0.0000 107 SO3-2 0.28514E-15 -15.5449 0.14384E-15 -15.8421 0.50445E+00 -0.2972 108 HSO3- 0.19048E-10 -10.7202 0.15674E-10 -10.8048 0.82287E+00 -0.0847 109 HSO4- 0.66147E-06 -6.1795 0.54606E-06 -6.2628 0.82553E+00 -0.0833 111 S2O3-2 0.14958E-09 -9.8251 0.74258E-10 -10.1293 0.49644E+00 -0.3041 112 HS2O3- 0.28082E-10 -10.5516 0.23108E-10 -10.6362 0.82287E+00 -0.0847 113 H2S2O3,aq 0.64471E-12 -12.1906 0.64471E-12 -12.1906 0.10000E+01 0.0000 121 S4O6-2 0.21113E-17 -17.6754 0.10482E-17 -17.9796 0.49644E+00 -0.3041 Charge balance for all species = -.5743E-08 Component Molality Aq.molality ppm log[A(N)/A(H+)**Z] (total) 1 H+ 0.2100818E-02 0.3025067E+00 0.3005830E+03 0.0000 2 H2O 0.1000000E+01 0.5522940E+02 0.9808590E+06 0.0000 3 Cl- 0.2279318E-01 0.2290547E-01 0.8005474E+03 1.0325 4 SO4-- 0.6542657E-06 0.1324945E-05 0.1254708E+00 -0.9686 5 HCO3- 0.8673151E-04 0.2789409E+00 0.1677874E+05 -1.3864 6 HS- 0.4362662E-05 0.2015420E-01 0.6570837E+03 -2.6855 7 Al+++ 0.2053494E-07 0.2419608E-07 0.6435850E-03 -0.0853 8 H4SiO4 0.1013675E-02 0.1013676E-02 0.9604770E+02 -2.9941 9 Ca++ 0.2126276E-06 0.2169651E-06 0.8572168E-02 -1.4603 10 Mg++ 0.8543852E-10 0.8725511E-10 0.2091252E-05 -4.8585 11 Fe++ 0.7929847E-09 0.8098572E-09 0.4458647E-04 -3.8904 12 K+ 0.1472155E-03 0.1472575E-03 0.5676375E+01 -1.1565 13 Na+ 0.2078044E-01 0.2088718E-01 0.4733798E+03 0.9923 14 Mn++ 0.2194152E-08 0.2348058E-08 0.1271676E-03 -3.4480 15 F- 0.1426288E-03 0.1538316E-02 0.2881032E+02 -1.1721 16 HPO4-- 0.1451738E-11 0.4346756E-07 0.4112787E-02 -6.6224 Component Tot moles Aq. moles Solid moles Gas moles 1 H+ 0.3783699E+00 0.2901234E+00 0.8824645E-01 0.0000000E+00 2 H2O 0.5287559E+02 0.5296855E+02 -.9296171E-01 0.0000000E+00 3 Cl- 0.2196783E-01 0.2196783E-01 0.0000000E+00 0.0000000E+00 4 SO4-- 0.1765247E-01 0.1270708E-05 0.1765120E-01 0.0000000E+00 5 HCO3- 0.2675223E+00 0.2675223E+00 0.0000000E+00 0.0000000E+00 6 HS- 0.7228279E-01 0.1932917E-01 0.5295362E-01 0.0000000E+00 7 Al+++ 0.4775352E-05 0.2320560E-07 0.4752146E-05 0.0000000E+00 8 H4SiO4 0.1215302E-01 0.9721807E-03 0.1118084E-01 0.0000000E+00 9 Ca++ 0.2080835E-06 0.2080835E-06 0.0000000E+00 0.0000000E+00 10 Mg++ 0.8368328E-10 0.8368328E-10 0.0000000E+00 0.0000000E+00 11 Fe++ 0.3259227E-07 0.7767053E-09 0.3181556E-07 0.0000000E+00 12 K+ 0.1412294E-03 0.1412294E-03 0.0000000E+00 0.0000000E+00 13 Na+ 0.2003215E-01 0.2003215E-01 0.0000000E+00 0.0000000E+00 14 Mn++ 0.2251939E-08 0.2251939E-08 0.0000000E+00 0.0000000E+00 15 F- 0.1480096E-02 0.1475344E-02 0.4752146E-05 0.0000000E+00 16 HPO4-- 0.4168819E-07 0.4168819E-07 0.0000000E+00 0.0000000E+00 Chg. balance for solid moles: 0.5386E-17 Mass of aqueous solution: 0.972866E+03 g Temperature = 100.00 C Pressure = 50.00 bar Mixer frac. = 3.6999900 Log Log Vol Gas or mineral Moles Moles Grams Grams Wt.% (cm3) pyrite 0.3182E-07 -7.497 0.3817E-05 -5.418 0.1300E-03 0.7616E-06 quartz 0.1118E-01 -1.952 0.6716 -0.173 22.88 0.2536 sulfur 0.7060E-01 -1.151 2.264 0.355 77.11 1.095 topaz 0.2376E-05 -5.624 0.4373E-03 -3.359 0.1490E-01 0.1224E-03 Partial press. Fugacity coef Log fugacity Gas or Mineral Mole fraction or activity Activity coef Log activity pyrite 0.1000E+01 0.1000E+01 1.0000 0.000 quartz 0.1000E+01 0.1000E+01 1.0000 0.000 sulfur 0.1000E+01 0.1000E+01 1.0000 0.000 topaz 0.1000E+01 0.1000E+01 1.0000 0.000 Solid products produced: Mass = 2.935632 g Volume = 1.348857 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. Reactant consumed: 3.6999900 moles log = 0.5682 Original solution: 1000.0103000 g Original solution / Rock added: 270.27 (Water/Rock Ratio), log = 2.4318 Gas composition at saturation ( 3 iterations) ------------------------------------------------- Temperature: 100.0000 deg.C Sat. pressure: 33.2008 bar Gas Mole fraction phi Fugacity Partial P(bar) H2O,gas 0.3633E-01 0.8296 0.1001E+01 0.1206E+01 CO2,gas 0.9455E+00 0.9109 0.2859E+02 0.3139E+02 CH4,gas 0.3294E-07 1.0251 0.1121E-05 0.1094E-05 H2,gas 0.1314E-06 1.0179 0.4440E-05 0.4362E-05 H2S,gas 0.1814E-01 0.8816 0.5309E+00 0.6022E+00 S2,gas 0.1617E-10 1.0000 0.5368E-09 0.5368E-09 CO,gas 0.1025E-08 1.0000 0.3402E-07 0.3402E-07 SO3,gas 0.1129E-28 1.0000 0.3749E-27 0.3749E-27 SO2,gas 0.1961E-11 1.0000 0.6510E-10 0.6510E-10 HF,gas 0.1032E-06 1.0000 0.3425E-05 0.3425E-05 HCl,gas 0.3179E-09 1.0000 0.1055E-07 0.1055E-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 145 pyrite -21.25 -21.25 0.00 0.000 0.60662E-11 150 quartz -2.99 -2.99 0.00 0.000 0.00000E+00 172 sulfur -9.15 -9.15 0.00 0.000 0.00000E+00 214 topaz -16.55 -16.55 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 1.70 0.00 -1.70 -1.699 0.29005E+04 0.000 2 CO2,gas -6.66 -6.90 -0.24 -0.081 0.41438E+03 1.456 3 CH4,gas 4.54 -3.11 -7.65 -1.912 0.13061E+05 -5.950 4 H2,gas 8.00 0.95 -7.05 -4.030 0.12040E+05 -5.353 5 H2S,gas -6.23 -8.20 -1.97 -0.987 0.33705E+04 -0.275 6 S2,gas -7.34 -18.30 -10.97 -1.688 0.18730E+05 -9.270 7 CO,gas 3.21 -5.95 -9.17 -2.821 0.15653E+05 -7.468 8 SO3,gas 17.12 -12.00 -29.13 -7.281 0.49730E+05 -27.426 9 SO2,gas 0.83 -11.05 -11.89 -3.169 0.20294E+05 -10.186 10 HF,gas 0.47 -6.69 -7.16 -3.582 0.12233E+05 -5.465 11 HCl,gas 5.19 -4.49 -9.68 -4.838 0.16521E+05 -7.977 57 coesite -2.38 -2.99 -0.61 -0.204 0.10473E+04 64 cristobalite -2.56 -2.99 -0.43 -0.143 0.73267E+03 68 diaspore 2.87 -0.09 -2.96 -0.494 0.50603E+04 69 diamond -3.10 -5.00 -1.90 -0.543 0.32433E+04 86 gibbsite 4.08 -0.09 -4.17 -0.596 0.71228E+04 89 graphite -3.55 -5.00 -1.46 -0.416 0.24856E+04 101 kaolinite -1.33 -6.16 -4.83 -0.439 0.82442E+04 181 tridymite -2.63 -2.99 -0.36 -0.121 0.61998E+03 202 chalcedony -2.80 -2.99 -0.19 -0.062 0.31930E+03 237 boehmite 4.41 -0.09 -4.50 -0.749 0.76772E+04 240 fluorite -9.93 -14.84 -4.91 -1.637 0.83858E+04 245 silica-amorphous -2.09 -2.99 -0.90 -0.299 0.15335E+04 Calculations done for 100.0000 Deg. C; 50.0000 bar Next reactant titration increment of: 0.1000000 MOLES Current total amount of reactant added: 3.6999900 MOLES New total amount of reactant added: 3.7999900 MOLES Solids and gases carried Charge balance check after fractionation or titration: TBAL = -.5508E-08 ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ Magmatic gas scrubbing preliminary calculation. React meteoric water with andesite, Getahun et al. 1996 J. Volc. Geotherm. Res. 71(73-107). Table 1 page 82 sample MAF-1 ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ Number of loops used = 9 Loop limit = 400 Temperature = 100.00 C Pressure = 50.00 bar Mixer fraction = 3.7999900 Water: Moles liquid = 0.5333E+02 kg liquid = 0.9607E+00 Moles total = 0.5296E+02 kg total = 0.9540E+00 Activity = 0.9945 Stoichiometric ionic strength = .1772689E+00 Osmotic coef. = 0.9173 True ionic strength = .2355806E-01 Chg. balance for total moles = -.5508E-08 Max. difference allowed = 0.2256E-05 Log Log Log Species(n) Molality Molality Activity Activity Gamma Gamma 1 H+ 0.26670E-02 -2.5740 0.22059E-02 -2.6564 0.82709E+00 -0.0824 2 H2O 0.99451E+00 -0.0024 0.99451E+00 -0.0024 3 Cl- 0.23364E-01 -1.6314 0.19193E-01 -1.7169 0.82145E+00 -0.0854 4 SO4-- 0.38113E-06 -6.4189 0.18846E-06 -6.7248 0.49447E+00 -0.3059 5 HCO3- 0.70218E-04 -4.1535 0.57777E-04 -4.2382 0.82281E+00 -0.0847 6 HS- 0.35319E-05 -5.4520 0.29017E-05 -5.5373 0.82159E+00 -0.0853 7 Al+++ 0.40566E-07 -7.3918 0.84351E-08 -8.0739 0.20794E+00 -0.6821 8 H4SiO4 0.10134E-02 -2.9942 0.10134E-02 -2.9942 0.10000E+01 0.0000 9 Ca++ 0.21228E-06 -6.6731 0.10409E-06 -6.9826 0.49034E+00 -0.3095 10 Mg++ 0.85342E-10 -10.0688 0.41630E-10 -10.3806 0.48780E+00 -0.3118 11 Fe++ 0.12518E-08 -8.9025 0.61140E-09 -9.2137 0.48840E+00 -0.3112 12 K+ 0.14696E-03 -3.8328 0.12096E-03 -3.9174 0.82303E+00 -0.0846 13 Na+ 0.20743E-01 -1.6831 0.17035E-01 -1.7686 0.82127E+00 -0.0855 14 Mn++ 0.21883E-08 -8.6599 0.10698E-08 -8.9707 0.48886E+00 -0.3108 15 F- 0.11789E-03 -3.9285 0.96615E-04 -4.0150 0.81953E+00 -0.0864 16 HPO4-- 0.10506E-11 -11.9786 0.51957E-12 -12.2844 0.49455E+00 -0.3058 17 SiF6-2 0.12846E-12 -12.8912 0.63368E-13 -13.1981 0.49328E+00 -0.3069 18 HSiO3- 0.52510E-09 -9.2798 0.43134E-09 -9.3652 0.82145E+00 -0.0854 19 Ca(HSiO3)+ 0.12421E-14 -14.9059 0.10225E-14 -14.9903 0.82323E+00 -0.0845 20 Mg(HSiO3)+ 0.61821E-18 -18.2089 0.50893E-18 -18.2933 0.82323E+00 -0.0845 21 NaHSiO3,aq 0.11885E-09 -9.9250 0.11885E-09 -9.9250 0.10000E+01 0.0000 22 AlO+ 0.28490E-09 -9.5453 0.23454E-09 -9.6298 0.82323E+00 -0.0845 23 AlOH+2 0.52639E-08 -8.2787 0.25762E-08 -8.5890 0.48941E+00 -0.3103 24 HAlO2,aq 0.21059E-10 -10.6766 0.21059E-10 -10.6766 0.10000E+01 0.0000 25 AlO2- 0.25778E-13 -13.5887 0.21132E-13 -13.6751 0.81977E+00 -0.0863 26 CH4,aq 0.89735E-09 -9.0470 0.85940E-09 -9.0658 0.95771E+00 -0.0188 27 C2H6,aq 0.38061E-19 -19.4195 0.36452E-19 -19.4383 0.95771E+00 -0.0188 31 CO,aq 0.23959E-10 -10.6205 0.23959E-10 -10.6205 0.10000E+01 0.0000 32 CO2,aq 0.28592E+00 -0.5438 0.27383E+00 -0.5625 0.95771E+00 -0.0188 33 CO3-2 0.46379E-11 -11.3337 0.22878E-11 -11.6406 0.49328E+00 -0.3069 34 CaCO3,aq 0.29860E-14 -14.5249 0.29860E-14 -14.5249 0.10000E+01 0.0000 35 Ca(HCO3)+ 0.18648E-09 -9.7294 0.15351E-09 -9.8139 0.82323E+00 -0.0845 36 CaCl+ 0.39272E-08 -8.4059 0.32330E-08 -8.4904 0.82323E+00 -0.0845 37 CaCl2,aq 0.14742E-10 -10.8314 0.14742E-10 -10.8314 0.10000E+01 0.0000 38 CaF+ 0.17836E-09 -9.7487 0.14683E-09 -9.8332 0.82323E+00 -0.0845 39 CaOH+ 0.40628E-14 -14.3912 0.33446E-14 -14.4757 0.82323E+00 -0.0845 40 CaSO4,aq 0.62292E-11 -11.2056 0.62292E-11 -11.2056 0.10000E+01 0.0000 41 HCl,aq 0.77579E-05 -5.1103 0.77579E-05 -5.1103 0.10000E+01 0.0000 45 HF,aq 0.14590E-02 -2.8360 0.14590E-02 -2.8360 0.10000E+01 0.0000 46 HF2- 0.57935E-07 -7.2371 0.47591E-07 -7.3225 0.82145E+00 -0.0854 48 FeCl+ 0.22562E-10 -10.6466 0.18573E-10 -10.7311 0.82323E+00 -0.0845 49 FeCl2,aq 0.11286E-16 -16.9475 0.11286E-16 -16.9475 0.10000E+01 0.0000 51 FeF+ 0.36668E-11 -11.4357 0.30186E-11 -11.5202 0.82323E+00 -0.0845 52 FeF+2 0.32741E-17 -17.4849 0.16023E-17 -17.7952 0.48941E+00 -0.3103 54 FeOH+ 0.10899E-13 -13.9626 0.89726E-14 -14.0471 0.82323E+00 -0.0845 56 FeO+ 0.44172E-18 -18.3549 0.36364E-18 -18.4393 0.82323E+00 -0.0845 57 FeOH+2 0.31300E-18 -18.5045 0.15318E-18 -18.8148 0.48941E+00 -0.3103 60 H2,aq 0.36168E-08 -8.4417 0.34638E-08 -8.4604 0.95771E+00 -0.0188 61 KCl,aq 0.42075E-07 -7.3760 0.42075E-07 -7.3760 0.10000E+01 0.0000 62 KHSO4,aq 0.14217E-12 -12.8472 0.14217E-12 -12.8472 0.10000E+01 0.0000 63 KOH,aq 0.23289E-13 -13.6329 0.23289E-13 -13.6329 0.10000E+01 0.0000 64 KSO4- 0.43061E-09 -9.3659 0.35372E-09 -9.4513 0.82145E+00 -0.0854 65 MgCO3,aq 0.29934E-18 -18.5238 0.29934E-18 -18.5238 0.10000E+01 0.0000 66 Mg(HCO3)+ 0.76206E-13 -13.1180 0.62735E-13 -13.2025 0.82323E+00 -0.0845 67 MgCl+ 0.14235E-11 -11.8466 0.11719E-11 -11.9311 0.82323E+00 -0.0845 68 MgF+ 0.26424E-12 -12.5780 0.21753E-12 -12.6625 0.82323E+00 -0.0845 69 MgOH+ 0.89912E-17 -17.0462 0.74018E-17 -17.1307 0.82323E+00 -0.0845 71 MnF+ 0.21147E-11 -11.6747 0.17409E-11 -11.7592 0.82323E+00 -0.0845 73 MnOH+ 0.17716E-14 -14.7516 0.14584E-14 -14.8361 0.82323E+00 -0.0845 78 MnCl+ 0.15358E-09 -9.8137 0.12643E-09 -9.8981 0.82323E+00 -0.0845 79 MnSO4,aq 0.58202E-13 -13.2351 0.58202E-13 -13.2351 0.10000E+01 0.0000 80 NaCl,aq 0.10835E-03 -3.9652 0.10835E-03 -3.9652 0.10000E+01 0.0000 81 NaF,aq 0.38533E-06 -6.4142 0.38533E-06 -6.4142 0.10000E+01 0.0000 82 NaOH,aq 0.32999E-11 -11.4815 0.32999E-11 -11.4815 0.10000E+01 0.0000 84 OH- 0.31776E-09 -9.4979 0.26049E-09 -9.5842 0.81977E+00 -0.0863 91 H2PO3- 0.30368E-19 -19.5176 0.24946E-19 -19.6030 0.82145E+00 -0.0854 92 H3PO4,aq 0.17682E-07 -7.7525 0.17682E-07 -7.7525 0.10000E+01 0.0000 93 H2PO4- 0.25711E-07 -7.5899 0.21143E-07 -7.6748 0.82233E+00 -0.0850 95 H4P2O7,aq 0.41447E-17 -17.3825 0.41447E-17 -17.3825 0.10000E+01 0.0000 96 H3P2O7- 0.29203E-16 -16.5346 0.23989E-16 -16.6200 0.82145E+00 -0.0854 97 H2P2O7-2 0.71447E-16 -16.1460 0.35244E-16 -16.4529 0.49328E+00 -0.3069 98 HP2O7-3 0.15324E-19 -19.8146 0.31903E-20 -20.4962 0.20819E+00 -0.6815 100 H2S,aq 0.20656E-01 -1.6850 0.19783E-01 -1.7037 0.95771E+00 -0.0188 101 S2-2 0.10919E-12 -12.9618 0.53863E-13 -13.2687 0.49328E+00 -0.3069 102 S3-2 0.84018E-12 -12.0756 0.41445E-12 -12.3825 0.49328E+00 -0.3069 103 S3- 0.12676E-07 -7.8970 0.10412E-07 -7.9825 0.82145E+00 -0.0854 104 S4-2 0.42704E-11 -11.3695 0.21065E-11 -11.6764 0.49328E+00 -0.3069 105 S5-2 0.14473E-10 -10.8394 0.71394E-11 -11.1463 0.49328E+00 -0.3069 106 SO2,aq 0.14343E-10 -10.8434 0.14343E-10 -10.8434 0.10000E+01 0.0000 107 SO3-2 0.17012E-15 -15.7692 0.85298E-16 -16.0691 0.50138E+00 -0.2998 108 HSO3- 0.14341E-10 -10.8434 0.11781E-10 -10.9288 0.82145E+00 -0.0854 109 HSO4- 0.48611E-06 -6.3133 0.40063E-06 -6.3973 0.82415E+00 -0.0840 111 S2O3-2 0.89271E-10 -10.0493 0.44036E-10 -10.3562 0.49328E+00 -0.3069 112 HS2O3- 0.21143E-10 -10.6748 0.17368E-10 -10.7602 0.82145E+00 -0.0854 113 H2S2O3,aq 0.61419E-12 -12.2117 0.61419E-12 -12.2117 0.10000E+01 0.0000 121 S4O6-2 0.11719E-17 -17.9311 0.57807E-18 -18.2380 0.49328E+00 -0.3069 Charge balance for all species = -.5733E-08 Component Molality Aq.molality ppm log[A(N)/A(H+)**Z] (total) 1 H+ 0.2667013E-02 0.3107108E+00 0.3086291E+03 0.0000 2 H2O 0.1000000E+01 0.5522233E+02 0.9803971E+06 0.0000 3 Cl- 0.2336435E-01 0.2348051E-01 0.8203634E+03 0.9396 4 SO4-- 0.3811259E-06 0.8739376E-06 0.8273248E-01 -1.4119 5 HCO3- 0.7021837E-04 0.2859905E+00 0.1719688E+05 -1.5818 6 HS- 0.3531886E-05 0.2065972E-01 0.6733341E+03 -2.8809 7 Al+++ 0.4056583E-07 0.4613571E-07 0.1226730E-02 -0.1046 8 H4SiO4 0.1013400E-02 0.1013401E-02 0.9598868E+02 -2.9942 9 Ca++ 0.2122817E-06 0.2165947E-06 0.8554600E-02 -1.6697 10 Mg++ 0.8534218E-10 0.8710618E-10 0.2086966E-05 -5.0678 11 Fe++ 0.1251829E-08 0.1278068E-08 0.7033956E-04 -3.9008 12 K+ 0.1469636E-03 0.1470061E-03 0.5664742E+01 -1.2610 13 Na+ 0.2074279E-01 0.2085152E-01 0.4724097E+03 0.8878 14 Mn++ 0.2188293E-08 0.2344050E-08 0.1269070E-03 -3.6579 15 F- 0.1178907E-03 0.1577348E-02 0.2953121E+02 -1.3585 16 HPO4-- 0.1050594E-11 0.4339336E-07 0.4104359E-02 -6.9715 Component Tot moles Aq. moles Solid moles Gas moles 1 H+ 0.3891374E+00 0.2985012E+00 0.9063614E-01 0.0000000E+00 2 H2O 0.5295746E+02 0.5305233E+02 -.9487066E-01 0.0000000E+00 3 Cl- 0.2255783E-01 0.2255783E-01 0.0000000E+00 0.0000000E+00 4 SO4-- 0.1812997E-01 0.8395957E-06 0.1812913E-01 0.0000000E+00 5 HCO3- 0.2747523E+00 0.2747523E+00 0.0000000E+00 0.0000000E+00 6 HS- 0.7423529E-01 0.1984788E-01 0.5438741E-01 0.0000000E+00 7 Al+++ 0.4775352E-05 0.4432277E-07 0.4731029E-05 0.0000000E+00 8 H4SiO4 0.1215302E-01 0.9735786E-03 0.1117944E-01 0.0000000E+00 9 Ca++ 0.2080835E-06 0.2080835E-06 0.0000000E+00 0.0000000E+00 10 Mg++ 0.8368328E-10 0.8368328E-10 0.0000000E+00 0.0000000E+00 11 Fe++ 0.3259227E-07 0.1227846E-08 0.3136442E-07 0.0000000E+00 12 K+ 0.1412294E-03 0.1412294E-03 0.0000000E+00 0.0000000E+00 13 Na+ 0.2003215E-01 0.2003215E-01 0.0000000E+00 0.0000000E+00 14 Mn++ 0.2251939E-08 0.2251939E-08 0.0000000E+00 0.0000000E+00 15 F- 0.1520096E-02 0.1515365E-02 0.4731029E-05 0.0000000E+00 16 HPO4-- 0.4168819E-07 0.4168819E-07 0.0000000E+00 0.0000000E+00 Chg. balance for solid moles: -.7099E-17 Mass of aqueous solution: 0.974864E+03 g Temperature = 100.00 C Pressure = 50.00 bar Mixer frac. = 3.7999900 Log Log Vol Gas or mineral Moles Moles Grams Grams Wt.% (cm3) pyrite 0.3136E-07 -7.504 0.3763E-05 -5.424 0.1256E-03 0.7508E-06 quartz 0.1118E-01 -1.952 0.6715 -0.173 22.41 0.2536 sulfur 0.7252E-01 -1.140 2.325 0.366 77.58 1.125 topaz 0.2366E-05 -5.626 0.4354E-03 -3.361 0.1453E-01 0.1219E-03 Partial press. Fugacity coef Log fugacity Gas or Mineral Mole fraction or activity Activity coef Log activity pyrite 0.1000E+01 0.1000E+01 1.0000 0.000 quartz 0.1000E+01 0.1000E+01 1.0000 0.000 sulfur 0.1000E+01 0.1000E+01 1.0000 0.000 topaz 0.1000E+01 0.1000E+01 1.0000 0.000 Solid products produced: Mass = 2.996836 g Volume = 1.378477 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. Reactant consumed: 3.7999900 moles log = 0.5798 Original solution: 1000.0103000 g Original solution / Rock added: 263.16 (Water/Rock Ratio), log = 2.4202 Gas composition at saturation ( 3 iterations) ------------------------------------------------- Temperature: 100.0000 deg.C Sat. pressure: 34.0710 bar Gas Mole fraction phi Fugacity Partial P(bar) H2O,gas 0.3558E-01 0.8252 0.1000E+01 0.1212E+01 CO2,gas 0.9463E+00 0.9087 0.2930E+02 0.3224E+02 CH4,gas 0.3620E-07 1.0257 0.1265E-05 0.1233E-05 H2,gas 0.1311E-06 1.0183 0.4548E-05 0.4466E-05 H2S,gas 0.1816E-01 0.8788 0.5438E+00 0.6188E+00 S2,gas 0.1575E-10 1.0000 0.5368E-09 0.5368E-09 CO,gas 0.1048E-08 1.0000 0.3570E-07 0.3570E-07 SO3,gas 0.1023E-28 1.0000 0.3486E-27 0.3486E-27 SO2,gas 0.1820E-11 1.0000 0.6202E-10 0.6202E-10 HF,gas 0.1051E-06 1.0000 0.3582E-05 0.3582E-05 HCl,gas 0.4018E-09 1.0000 0.1369E-07 0.1369E-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 145 pyrite -21.25 -21.25 0.00 0.000 -0.60662E-11 150 quartz -2.99 -2.99 0.00 0.000 0.00000E+00 172 sulfur -9.15 -9.15 0.00 0.000 0.00000E+00 214 topaz -16.55 -16.55 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 1.70 0.00 -1.70 -1.699 0.29006E+04 0.000 2 CO2,gas -6.66 -6.89 -0.23 -0.077 0.39639E+03 1.467 3 CH4,gas 4.54 -3.05 -7.60 -1.899 0.12971E+05 -5.898 4 H2,gas 8.00 0.96 -7.04 -4.024 0.12023E+05 -5.342 5 H2S,gas -6.23 -8.19 -1.96 -0.982 0.33527E+04 -0.265 6 S2,gas -7.34 -18.30 -10.97 -1.688 0.18730E+05 -9.270 7 CO,gas 3.21 -5.93 -9.15 -2.814 0.15617E+05 -7.447 8 SO3,gas 17.12 -12.04 -29.16 -7.289 0.49784E+05 -27.458 9 SO2,gas 0.83 -11.07 -11.91 -3.175 0.20330E+05 -10.207 10 HF,gas 0.47 -6.67 -7.14 -3.572 0.12200E+05 -5.446 11 HCl,gas 5.19 -4.37 -9.56 -4.781 0.16328E+05 -7.864 57 coesite -2.38 -2.99 -0.61 -0.204 0.10473E+04 64 cristobalite -2.56 -2.99 -0.43 -0.143 0.73267E+03 68 diaspore 2.87 -0.11 -2.98 -0.497 0.50936E+04 69 diamond -3.10 -4.97 -1.87 -0.534 0.31895E+04 86 gibbsite 4.08 -0.11 -4.19 -0.599 0.71562E+04 89 graphite -3.55 -4.97 -1.42 -0.407 0.24317E+04 101 kaolinite -1.33 -6.20 -4.87 -0.442 0.83109E+04 181 tridymite -2.63 -2.99 -0.36 -0.121 0.61998E+03 202 chalcedony -2.80 -2.99 -0.19 -0.062 0.31930E+03 237 boehmite 4.41 -0.11 -4.52 -0.753 0.77105E+04 245 silica-amorphous -2.09 -2.99 -0.90 -0.299 0.15335E+04 Calculations done for 100.0000 Deg. C; 50.0000 bar Next reactant titration increment of: 0.1000000 MOLES Current total amount of reactant added: 3.7999900 MOLES New total amount of reactant added: 3.8999900 MOLES Solids and gases carried Charge balance check after fractionation or titration: TBAL = -.5508E-08 ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ Magmatic gas scrubbing preliminary calculation. React meteoric water with andesite, Getahun et al. 1996 J. Volc. Geotherm. Res. 71(73-107). Table 1 page 82 sample MAF-1 ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ Number of loops used = 8 Loop limit = 400 Temperature = 100.00 C Pressure = 50.00 bar Mixer fraction = 3.8999900 Water: Moles liquid = 0.5342E+02 kg liquid = 0.9623E+00 Moles total = 0.5304E+02 kg total = 0.9555E+00 Activity = 0.9944 Stoichiometric ionic strength = .1813657E+00 Osmotic coef. = 0.9171 True ionic strength = .2409832E-01 Chg. balance for total moles = -.5508E-08 Max. difference allowed = 0.2315E-05 Log Log Log Species(n) Molality Molality Activity Activity Gamma Gamma 1 H+ 0.32450E-02 -2.4888 0.26796E-02 -2.5719 0.82575E+00 -0.0832 2 H2O 0.99437E+00 -0.0025 0.99437E+00 -0.0025 3 Cl- 0.23933E-01 -1.6210 0.19626E-01 -1.7072 0.82002E+00 -0.0862 4 SO4-- 0.24219E-06 -6.6158 0.11900E-06 -6.9245 0.49133E+00 -0.3086 5 HCO3- 0.59276E-04 -4.2271 0.48689E-04 -4.3126 0.82141E+00 -0.0854 6 HS- 0.29815E-05 -5.5256 0.24453E-05 -5.6117 0.82016E+00 -0.0861 7 Al+++ 0.71060E-07 -7.1484 0.14564E-07 -7.8367 0.20495E+00 -0.6883 8 H4SiO4 0.10131E-02 -2.9943 0.10131E-02 -2.9943 0.10000E+01 0.0000 9 Ca++ 0.21191E-06 -6.6738 0.10323E-06 -6.9862 0.48715E+00 -0.3123 10 Mg++ 0.85223E-10 -10.0694 0.41297E-10 -10.3841 0.48458E+00 -0.3146 11 Fe++ 0.18165E-08 -8.7408 0.88133E-09 -9.0549 0.48519E+00 -0.3141 12 K+ 0.14671E-03 -3.8335 0.12054E-03 -3.9189 0.82163E+00 -0.0853 13 Na+ 0.20705E-01 -1.6839 0.16975E-01 -1.7702 0.81984E+00 -0.0863 14 Mn++ 0.21824E-08 -8.6611 0.10599E-08 -8.9747 0.48565E+00 -0.3137 15 F- 0.10095E-03 -3.9959 0.82584E-04 -4.0831 0.81808E+00 -0.0872 16 HPO4-- 0.79826E-12 -12.0979 0.39227E-12 -12.4064 0.49141E+00 -0.3086 17 SiF6-2 0.10983E-12 -12.9593 0.53830E-13 -13.2690 0.49012E+00 -0.3097 18 HSiO3- 0.43296E-09 -9.3635 0.35504E-09 -9.4497 0.82002E+00 -0.0862 19 Ca(HSiO3)+ 0.10156E-14 -14.9933 0.83469E-15 -15.0785 0.82183E+00 -0.0852 20 Mg(HSiO3)+ 0.50565E-18 -18.2962 0.41556E-18 -18.3814 0.82183E+00 -0.0852 21 NaHSiO3,aq 0.97475E-10 -10.0111 0.97475E-10 -10.0111 0.10000E+01 0.0000 22 AlO+ 0.33388E-09 -9.4764 0.27439E-09 -9.5616 0.82183E+00 -0.0852 23 AlOH+2 0.75300E-08 -8.1232 0.36611E-08 -8.4364 0.48620E+00 -0.3132 24 HAlO2,aq 0.20278E-10 -10.6930 0.20278E-10 -10.6930 0.10000E+01 0.0000 25 AlO2- 0.20471E-13 -13.6889 0.16752E-13 -13.7759 0.81832E+00 -0.0871 26 CH4,aq 0.10099E-08 -8.9957 0.96644E-09 -9.0148 0.95698E+00 -0.0191 27 C2H6,aq 0.47056E-19 -19.3274 0.45031E-19 -19.3465 0.95698E+00 -0.0191 31 CO,aq 0.25113E-10 -10.6001 0.25113E-10 -10.6001 0.10000E+01 0.0000 32 CO2,aq 0.29296E+00 -0.5332 0.28035E+00 -0.5523 0.95698E+00 -0.0191 33 CO3-2 0.32382E-11 -11.4897 0.15871E-11 -11.7994 0.49012E+00 -0.3097 34 CaCO3,aq 0.20544E-14 -14.6873 0.20544E-14 -14.6873 0.10000E+01 0.0000 35 Ca(HCO3)+ 0.15612E-09 -9.8066 0.12830E-09 -9.8918 0.82183E+00 -0.0852 36 CaCl+ 0.39895E-08 -8.3991 0.32787E-08 -8.4843 0.82183E+00 -0.0852 37 CaCl2,aq 0.15288E-10 -10.8157 0.15288E-10 -10.8157 0.10000E+01 0.0000 38 CaF+ 0.15145E-09 -9.8197 0.12447E-09 -9.9049 0.82183E+00 -0.0852 39 CaOH+ 0.33221E-14 -14.4786 0.27302E-14 -14.5638 0.82183E+00 -0.0852 40 CaSO4,aq 0.39008E-11 -11.4088 0.39008E-11 -11.4088 0.10000E+01 0.0000 41 HCl,aq 0.96367E-05 -5.0161 0.96367E-05 -5.0161 0.10000E+01 0.0000 45 HF,aq 0.15149E-02 -2.8196 0.15149E-02 -2.8196 0.10000E+01 0.0000 46 HF2- 0.51509E-07 -7.2881 0.42238E-07 -7.3743 0.82002E+00 -0.0862 47 Fe+3 0.15658E-19 -19.8053 0.32206E-20 -20.4921 0.20569E+00 -0.6868 48 FeCl+ 0.33314E-10 -10.4774 0.27378E-10 -10.5626 0.82183E+00 -0.0852 49 FeCl2,aq 0.17012E-16 -16.7692 0.17012E-16 -16.7692 0.10000E+01 0.0000 51 FeF+ 0.45257E-11 -11.3443 0.37194E-11 -11.4295 0.82183E+00 -0.0852 52 FeF+2 0.48754E-17 -17.3120 0.23704E-17 -17.6252 0.48620E+00 -0.3132 54 FeOH+ 0.12954E-13 -13.8876 0.10646E-13 -13.9728 0.82183E+00 -0.0852 56 FeO+ 0.51889E-18 -18.2849 0.42644E-18 -18.3701 0.82183E+00 -0.0852 57 FeOH+2 0.44882E-18 -18.3479 0.21822E-18 -18.6611 0.48620E+00 -0.3132 60 H2,aq 0.37052E-08 -8.4312 0.35458E-08 -8.4503 0.95698E+00 -0.0191 61 KCl,aq 0.42878E-07 -7.3678 0.42878E-07 -7.3678 0.10000E+01 0.0000 62 KHSO4,aq 0.10867E-12 -12.9639 0.10867E-12 -12.9639 0.10000E+01 0.0000 63 KOH,aq 0.19104E-13 -13.7189 0.19104E-13 -13.7189 0.10000E+01 0.0000 64 KSO4- 0.27144E-09 -9.5663 0.22259E-09 -9.6525 0.82002E+00 -0.0862 65 MgCO3,aq 0.20600E-18 -18.6861 0.20600E-18 -18.6861 0.10000E+01 0.0000 66 Mg(HCO3)+ 0.63815E-13 -13.1951 0.52446E-13 -13.2803 0.82183E+00 -0.0852 67 MgCl+ 0.14465E-11 -11.8397 0.11888E-11 -11.9249 0.82183E+00 -0.0852 68 MgF+ 0.22444E-12 -12.6489 0.18445E-12 -12.7341 0.82183E+00 -0.0852 69 MgOH+ 0.73540E-17 -17.1335 0.60438E-17 -17.2187 0.82183E+00 -0.0852 71 MnF+ 0.17939E-11 -11.7462 0.14743E-11 -11.8314 0.82183E+00 -0.0852 73 MnOH+ 0.14472E-14 -14.8395 0.11893E-14 -14.9247 0.82183E+00 -0.0852 78 MnCl+ 0.15586E-09 -9.8073 0.12809E-09 -9.8925 0.82183E+00 -0.0852 79 MnSO4,aq 0.36410E-13 -13.4388 0.36410E-13 -13.4388 0.10000E+01 0.0000 80 NaCl,aq 0.11041E-03 -3.9570 0.11041E-03 -3.9570 0.10000E+01 0.0000 81 NaF,aq 0.32820E-06 -6.4839 0.32820E-06 -6.4839 0.10000E+01 0.0000 82 NaOH,aq 0.27065E-11 -11.5676 0.27065E-11 -11.5676 0.10000E+01 0.0000 84 OH- 0.26201E-09 -9.5817 0.21441E-09 -9.6688 0.81832E+00 -0.0871 91 H2PO3- 0.28564E-19 -19.5442 0.23423E-19 -19.6304 0.82002E+00 -0.0862 92 H3PO4,aq 0.19699E-07 -7.7056 0.19699E-07 -7.7056 0.10000E+01 0.0000 93 H2PO4- 0.23620E-07 -7.6267 0.19390E-07 -7.7124 0.82092E+00 -0.0857 95 H4P2O7,aq 0.51448E-17 -17.2886 0.51448E-17 -17.2886 0.10000E+01 0.0000 96 H3P2O7- 0.29894E-16 -16.5244 0.24513E-16 -16.6106 0.82002E+00 -0.0862 97 H2P2O7-2 0.60489E-16 -16.2183 0.29647E-16 -16.5280 0.49012E+00 -0.3097 98 HP2O7-3 0.10766E-19 -19.9679 0.22093E-20 -20.6558 0.20520E+00 -0.6878 100 H2S,aq 0.21161E-01 -1.6745 0.20251E-01 -1.6936 0.95698E+00 -0.0191 101 S2-2 0.76238E-13 -13.1178 0.37366E-13 -13.4275 0.49012E+00 -0.3097 102 S3-2 0.58661E-12 -12.2317 0.28751E-12 -12.5413 0.49012E+00 -0.3097 103 S3- 0.10576E-07 -7.9757 0.86724E-08 -8.0619 0.82002E+00 -0.0862 104 S4-2 0.29816E-11 -11.5256 0.14613E-11 -11.8353 0.49012E+00 -0.3097 105 S5-2 0.10105E-10 -10.9955 0.49527E-11 -11.3052 0.49012E+00 -0.3097 106 SO2,aq 0.13683E-10 -10.8638 0.13683E-10 -10.8638 0.10000E+01 0.0000 107 SO3-2 0.11065E-15 -15.9560 0.55141E-16 -16.2585 0.49831E+00 -0.3025 108 HSO3- 0.11282E-10 -10.9476 0.92512E-11 -11.0338 0.82002E+00 -0.0862 109 HSO4- 0.37348E-06 -6.4277 0.30729E-06 -6.5125 0.82276E+00 -0.0847 111 S2O3-2 0.58081E-10 -10.2360 0.28467E-10 -10.5457 0.49012E+00 -0.3097 112 HS2O3- 0.16632E-10 -10.7790 0.13639E-10 -10.8652 0.82002E+00 -0.0862 113 H2S2O3,aq 0.58588E-12 -12.2322 0.58588E-12 -12.2322 0.10000E+01 0.0000 121 S4O6-2 0.71050E-18 -18.1484 0.34823E-18 -18.4581 0.49012E+00 -0.3097 Charge balance for all species = -.5723E-08 Component Molality Aq.molality ppm log[A(N)/A(H+)**Z] (total) 1 H+ 0.3245002E-02 0.3188880E+00 0.3166432E+03 0.0000 2 H2O 0.1000000E+01 0.5521529E+02 0.9799371E+06 0.0000 3 Cl- 0.2393349E-01 0.2405359E-01 0.8400983E+03 0.8648 4 SO4-- 0.2421919E-06 0.6207232E-06 0.5874151E-01 -1.7806 5 HCO3- 0.5927558E-04 0.2930161E+00 0.1761332E+05 -1.7406 6 HS- 0.2981481E-05 0.2116411E-01 0.6895373E+03 -3.0397 7 Al+++ 0.7105991E-07 0.7894412E-07 0.2098375E-02 -0.1209 8 H4SiO4 0.1013126E-02 0.1013127E-02 0.9592993E+02 -2.9943 9 Ca++ 0.2119094E-06 0.2162257E-06 0.8537105E-02 -1.8423 10 Mg++ 0.8522298E-10 0.8695776E-10 0.2082698E-05 -5.2402 11 Fe++ 0.1816471E-08 0.1854323E-08 0.1020194E-03 -3.9110 12 K+ 0.1467125E-03 0.1467556E-03 0.5653157E+01 -1.3469 13 Na+ 0.2070526E-01 0.2081600E-01 0.4714435E+03 0.8017 14 Mn++ 0.2182363E-08 0.2340056E-08 0.1266474E-03 -3.8309 15 F- 0.1009488E-03 0.1616258E-02 0.3024934E+02 -1.5112 16 HPO4-- 0.7982557E-12 0.4331942E-07 0.4095965E-02 -7.2625 Component Tot moles Aq. moles Solid moles Gas moles 1 H+ 0.3999049E+00 0.3068800E+00 0.9302492E-01 0.0000000E+00 2 H2O 0.5303933E+02 0.5313611E+02 -.9677887E-01 0.0000000E+00 3 Cl- 0.2314783E-01 0.2314783E-01 0.0000000E+00 0.0000000E+00 4 SO4-- 0.1860747E-01 0.5973493E-06 0.1860687E-01 0.0000000E+00 5 HCO3- 0.2819823E+00 0.2819823E+00 0.0000000E+00 0.0000000E+00 6 HS- 0.7618779E-01 0.2036715E-01 0.5582064E-01 0.0000000E+00 7 Al+++ 0.4775352E-05 0.7597140E-07 0.4699381E-05 0.0000000E+00 8 H4SiO4 0.1215302E-01 0.9749767E-03 0.1117804E-01 0.0000000E+00 9 Ca++ 0.2080835E-06 0.2080835E-06 0.0000000E+00 0.0000000E+00 10 Mg++ 0.8368328E-10 0.8368328E-10 0.0000000E+00 0.0000000E+00 11 Fe++ 0.3259227E-07 0.1784497E-08 0.3080777E-07 0.0000000E+00 12 K+ 0.1412294E-03 0.1412294E-03 0.0000000E+00 0.0000000E+00 13 Na+ 0.2003215E-01 0.2003215E-01 0.0000000E+00 0.0000000E+00 14 Mn++ 0.2251939E-08 0.2251939E-08 0.0000000E+00 0.0000000E+00 15 F- 0.1560096E-02 0.1555397E-02 0.4699381E-05 0.0000000E+00 16 HPO4-- 0.4168819E-07 0.4168819E-07 0.0000000E+00 0.0000000E+00 Chg. balance for solid moles: -.5883E-17 Mass of aqueous solution: 0.976862E+03 g Temperature = 100.00 C Pressure = 50.00 bar Mixer frac. = 3.8999900 Log Log Vol Gas or mineral Moles Moles Grams Grams Wt.% (cm3) pyrite 0.3081E-07 -7.511 0.3696E-05 -5.432 0.1209E-03 0.7375E-06 quartz 0.1118E-01 -1.952 0.6714 -0.173 21.96 0.2536 sulfur 0.7443E-01 -1.128 2.386 0.378 78.03 1.154 topaz 0.2350E-05 -5.629 0.4324E-03 -3.364 0.1414E-01 0.1211E-03 Partial press. Fugacity coef Log fugacity Gas or Mineral Mole fraction or activity Activity coef Log activity pyrite 0.1000E+01 0.1000E+01 1.0000 0.000 quartz 0.1000E+01 0.1000E+01 1.0000 0.000 sulfur 0.1000E+01 0.1000E+01 1.0000 0.000 topaz 0.1000E+01 0.1000E+01 1.0000 0.000 Solid products produced: Mass = 3.058016 g Volume = 1.408085 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. Reactant consumed: 3.8999900 moles log = 0.5911 Original solution: 1000.0103000 g Original solution / Rock added: 256.41 (Water/Rock Ratio), log = 2.4089 Gas composition at saturation ( 3 iterations) ------------------------------------------------- Temperature: 100.0000 deg.C Sat. pressure: 34.9407 bar Gas Mole fraction phi Fugacity Partial P(bar) H2O,gas 0.3488E-01 0.8207 0.1000E+01 0.1219E+01 CO2,gas 0.9469E+00 0.9066 0.2999E+02 0.3309E+02 CH4,gas 0.3967E-07 1.0264 0.1423E-05 0.1386E-05 H2,gas 0.1308E-06 1.0188 0.4655E-05 0.4569E-05 H2S,gas 0.1819E-01 0.8760 0.5567E+00 0.6355E+00 S2,gas 0.1536E-10 1.0000 0.5368E-09 0.5368E-09 CO,gas 0.1071E-08 1.0000 0.3742E-07 0.3742E-07 SO3,gas 0.9298E-29 1.0000 0.3249E-27 0.3249E-27 SO2,gas 0.1694E-11 1.0000 0.5917E-10 0.5917E-10 HF,gas 0.1065E-06 1.0000 0.3720E-05 0.3720E-05 HCl,gas 0.4867E-09 1.0000 0.1700E-07 0.1700E-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 145 pyrite -21.25 -21.25 0.00 0.000 -0.60662E-11 150 quartz -2.99 -2.99 0.00 0.000 0.00000E+00 172 sulfur -9.15 -9.15 0.00 0.000 0.00000E+00 214 topaz -16.55 -16.55 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 1.70 0.00 -1.70 -1.699 0.29007E+04 0.000 2 CO2,gas -6.66 -6.88 -0.22 -0.074 0.37893E+03 1.477 3 CH4,gas 4.54 -3.00 -7.55 -1.886 0.12884E+05 -5.847 4 H2,gas 8.00 0.97 -7.03 -4.018 0.12005E+05 -5.332 5 H2S,gas -6.23 -8.18 -1.95 -0.977 0.33353E+04 -0.254 6 S2,gas -7.34 -18.30 -10.97 -1.688 0.18730E+05 -9.270 7 CO,gas 3.21 -5.91 -9.13 -2.808 0.15582E+05 -7.427 8 SO3,gas 17.12 -12.07 -29.19 -7.297 0.49836E+05 -27.488 9 SO2,gas 0.83 -11.09 -11.93 -3.180 0.20365E+05 -10.228 10 HF,gas 0.47 -6.66 -7.13 -3.564 0.12172E+05 -5.430 11 HCl,gas 5.19 -4.28 -9.47 -4.734 0.16167E+05 -7.769 57 coesite -2.38 -2.99 -0.61 -0.204 0.10473E+04 64 cristobalite -2.56 -2.99 -0.43 -0.143 0.73267E+03 68 diaspore 2.87 -0.13 -3.00 -0.500 0.51216E+04 69 diamond -3.10 -4.94 -1.84 -0.525 0.31371E+04 86 gibbsite 4.08 -0.13 -4.21 -0.601 0.71843E+04 89 graphite -3.55 -4.94 -1.39 -0.398 0.23794E+04 101 kaolinite -1.33 -6.23 -4.90 -0.445 0.83669E+04 181 tridymite -2.63 -2.99 -0.36 -0.121 0.61998E+03 202 chalcedony -2.80 -2.99 -0.19 -0.062 0.31930E+03 237 boehmite 4.41 -0.13 -4.53 -0.755 0.77385E+04 245 silica-amorphous -2.09 -2.99 -0.90 -0.299 0.15335E+04 Calculations done for 100.0000 Deg. C; 50.0000 bar Next reactant titration increment of: 0.1000000 MOLES Current total amount of reactant added: 3.8999900 MOLES New total amount of reactant added: 3.9999900 MOLES Solids and gases carried Charge balance check after fractionation or titration: TBAL = -.5508E-08 ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ Magmatic gas scrubbing preliminary calculation. React meteoric water with andesite, Getahun et al. 1996 J. Volc. Geotherm. Res. 71(73-107). Table 1 page 82 sample MAF-1 ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ Number of loops used = 8 Loop limit = 400 Temperature = 100.00 C Pressure = 50.00 bar Mixer fraction = 3.9999900 Water: Moles liquid = 0.5351E+02 kg liquid = 0.9640E+00 Moles total = 0.5312E+02 kg total = 0.9570E+00 Activity = 0.9942 Stoichiometric ionic strength = .1854501E+00 Osmotic coef. = 0.9169 True ionic strength = .2464496E-01 Chg. balance for total moles = -.5508E-08 Max. difference allowed = 0.2374E-05 Log Log Log Species(n) Molality Molality Activity Activity Gamma Gamma 1 H+ 0.38291E-02 -2.4169 0.31568E-02 -2.5008 0.82442E+00 -0.0839 2 H2O 0.99424E+00 -0.0025 0.99424E+00 -0.0025 3 Cl- 0.24501E-01 -1.6108 0.20056E-01 -1.6977 0.81860E+00 -0.0869 4 SO4-- 0.16394E-06 -6.7853 0.80036E-07 -7.0967 0.48821E+00 -0.3114 5 HCO3- 0.51561E-04 -4.2877 0.42280E-04 -4.3739 0.82001E+00 -0.0862 6 HS- 0.25935E-05 -5.5861 0.21234E-05 -5.6730 0.81874E+00 -0.0869 7 Al+++ 0.11405E-06 -6.9429 0.23040E-07 -7.6375 0.20202E+00 -0.6946 8 H4SiO4 0.10129E-02 -2.9945 0.10129E-02 -2.9945 0.10000E+01 0.0000 9 Ca++ 0.21152E-06 -6.6746 0.10237E-06 -6.9898 0.48399E+00 -0.3152 10 Mg++ 0.85090E-10 -10.0701 0.40961E-10 -10.3876 0.48139E+00 -0.3175 11 Fe++ 0.24806E-08 -8.6054 0.11957E-08 -8.9224 0.48201E+00 -0.3169 12 K+ 0.14646E-03 -3.8343 0.12013E-03 -3.9203 0.82023E+00 -0.0861 13 Na+ 0.20668E-01 -1.6847 0.16915E-01 -1.7717 0.81842E+00 -0.0870 14 Mn++ 0.21764E-08 -8.6623 0.10501E-08 -8.9788 0.48248E+00 -0.3165 15 F- 0.88733E-04 -4.0519 0.72462E-04 -4.1399 0.81663E+00 -0.0880 16 HPO4-- 0.62920E-12 -12.2012 0.30723E-12 -12.5125 0.48829E+00 -0.3113 17 SiF6-2 0.97193E-13 -13.0124 0.47333E-13 -13.3248 0.48700E+00 -0.3125 18 HSiO3- 0.36810E-09 -9.4340 0.30133E-09 -9.5210 0.81860E+00 -0.0869 19 Ca(HSiO3)+ 0.85628E-15 -15.0674 0.70253E-15 -15.1533 0.82044E+00 -0.0860 20 Mg(HSiO3)+ 0.42638E-18 -18.3702 0.34982E-18 -18.4562 0.82044E+00 -0.0860 21 NaHSiO3,aq 0.82436E-10 -10.0839 0.82436E-10 -10.0839 0.10000E+01 0.0000 22 AlO+ 0.38116E-09 -9.4189 0.31272E-09 -9.5048 0.82044E+00 -0.0860 23 AlOH+2 0.10177E-07 -7.9924 0.49156E-08 -8.3084 0.48303E+00 -0.3160 24 HAlO2,aq 0.19615E-10 -10.7074 0.19615E-10 -10.7074 0.10000E+01 0.0000 25 AlO2- 0.16837E-13 -13.7737 0.13754E-13 -13.8616 0.81687E+00 -0.0878 26 CH4,aq 0.11329E-08 -8.9458 0.10833E-08 -8.9652 0.95626E+00 -0.0194 27 C2H6,aq 0.57842E-19 -19.2378 0.55312E-19 -19.2572 0.95626E+00 -0.0194 31 CO,aq 0.26290E-10 -10.5802 0.26290E-10 -10.5802 0.10000E+01 0.0000 32 CO2,aq 0.29997E+00 -0.5229 0.28685E+00 -0.5424 0.95626E+00 -0.0194 33 CO3-2 0.24022E-11 -11.6194 0.11699E-11 -11.9319 0.48700E+00 -0.3125 34 CaCO3,aq 0.15017E-14 -14.8234 0.15017E-14 -14.8234 0.10000E+01 0.0000 35 Ca(HCO3)+ 0.13467E-09 -9.8707 0.11049E-09 -9.9567 0.82044E+00 -0.0860 36 CaCl+ 0.40500E-08 -8.3925 0.33228E-08 -8.4785 0.82044E+00 -0.0860 37 CaCl2,aq 0.15833E-10 -10.8004 0.15833E-10 -10.8004 0.10000E+01 0.0000 38 CaF+ 0.13201E-09 -9.8794 0.10831E-09 -9.9653 0.82044E+00 -0.0860 39 CaOH+ 0.28009E-14 -14.5527 0.22980E-14 -14.6387 0.82044E+00 -0.0860 40 CaSO4,aq 0.26019E-11 -11.5847 0.26019E-11 -11.5847 0.10000E+01 0.0000 41 HCl,aq 0.11602E-04 -4.9355 0.11602E-04 -4.9355 0.10000E+01 0.0000 45 HF,aq 0.15659E-02 -2.8052 0.15659E-02 -2.8052 0.10000E+01 0.0000 46 HF2- 0.46800E-07 -7.3298 0.38311E-07 -7.4167 0.81860E+00 -0.0869 47 Fe+3 0.25100E-19 -19.6003 0.50892E-20 -20.2934 0.20276E+00 -0.6930 48 FeCl+ 0.46265E-10 -10.3347 0.37958E-10 -10.4207 0.82044E+00 -0.0860 49 FeCl2,aq 0.24103E-16 -16.6179 0.24103E-16 -16.6179 0.10000E+01 0.0000 50 FeCl+2 0.15098E-19 -19.8211 0.72929E-20 -20.1371 0.48303E+00 -0.3160 51 FeF+ 0.53965E-11 -11.2679 0.44275E-11 -11.3538 0.82044E+00 -0.0860 52 FeF+2 0.68043E-17 -17.1672 0.32867E-17 -17.4832 0.48303E+00 -0.3160 54 FeOH+ 0.14941E-13 -13.8256 0.12258E-13 -13.9116 0.82044E+00 -0.0860 56 FeO+ 0.59171E-18 -18.2279 0.48546E-18 -18.3138 0.82044E+00 -0.0860 57 FeOH+2 0.60589E-18 -18.2176 0.29266E-18 -18.5336 0.48303E+00 -0.3160 60 H2,aq 0.37934E-08 -8.4210 0.36274E-08 -8.4404 0.95626E+00 -0.0194 61 KCl,aq 0.43669E-07 -7.3598 0.43669E-07 -7.3598 0.10000E+01 0.0000 62 KHSO4,aq 0.85818E-13 -13.0664 0.85818E-13 -13.0664 0.10000E+01 0.0000 63 KOH,aq 0.16158E-13 -13.7916 0.16158E-13 -13.7916 0.10000E+01 0.0000 64 KSO4- 0.18226E-09 -9.7393 0.14920E-09 -9.8262 0.81860E+00 -0.0869 65 MgCO3,aq 0.15061E-18 -18.8221 0.15061E-18 -18.8221 0.10000E+01 0.0000 66 Mg(HCO3)+ 0.55058E-13 -13.2592 0.45172E-13 -13.3451 0.82044E+00 -0.0860 67 MgCl+ 0.14687E-11 -11.8331 0.12050E-11 -11.9190 0.82044E+00 -0.0860 68 MgF+ 0.19566E-12 -12.7085 0.16053E-12 -12.7945 0.82044E+00 -0.0860 69 MgOH+ 0.62012E-17 -17.2075 0.50877E-17 -17.2935 0.82044E+00 -0.0860 71 MnF+ 0.15621E-11 -11.8063 0.12816E-11 -11.8922 0.82044E+00 -0.0860 73 MnOH+ 0.12189E-14 -14.9140 0.10001E-14 -15.0000 0.82044E+00 -0.0860 78 MnCl+ 0.15807E-09 -9.8011 0.12969E-09 -9.8871 0.82044E+00 -0.0860 79 MnSO4,aq 0.24263E-13 -13.6151 0.24263E-13 -13.6151 0.10000E+01 0.0000 80 NaCl,aq 0.11243E-03 -3.9491 0.11243E-03 -3.9491 0.10000E+01 0.0000 81 NaF,aq 0.28696E-06 -6.5422 0.28696E-06 -6.5422 0.10000E+01 0.0000 82 NaOH,aq 0.22889E-11 -11.6404 0.22889E-11 -11.6404 0.10000E+01 0.0000 84 OH- 0.22277E-09 -9.6521 0.18197E-09 -9.7400 0.81687E+00 -0.0878 91 H2PO3- 0.27013E-19 -19.5684 0.22113E-19 -19.6554 0.81860E+00 -0.0869 92 H3PO4,aq 0.21413E-07 -7.6693 0.21413E-07 -7.6693 0.10000E+01 0.0000 93 H2PO4- 0.21832E-07 -7.6609 0.17892E-07 -7.7474 0.81951E+00 -0.0864 95 H4P2O7,aq 0.60803E-17 -17.2161 0.60803E-17 -17.2161 0.10000E+01 0.0000 96 H3P2O7- 0.30040E-16 -16.5223 0.24591E-16 -16.6092 0.81860E+00 -0.0869 97 H2P2O7-2 0.51838E-16 -16.2853 0.25245E-16 -16.5978 0.48700E+00 -0.3125 100 H2S,aq 0.21664E-01 -1.6643 0.20717E-01 -1.6837 0.95626E+00 -0.0194 101 S2-2 0.56555E-13 -13.2475 0.27542E-13 -13.5600 0.48700E+00 -0.3125 102 S3-2 0.43516E-12 -12.3614 0.21192E-12 -12.6738 0.48700E+00 -0.3125 103 S3- 0.90955E-08 -8.0412 0.74456E-08 -8.1281 0.81860E+00 -0.0869 104 S4-2 0.22118E-11 -11.6553 0.10771E-11 -11.9677 0.48700E+00 -0.3125 105 S5-2 0.74962E-11 -11.1252 0.36506E-11 -11.4376 0.48700E+00 -0.3125 106 SO2,aq 0.13071E-10 -10.8837 0.13071E-10 -10.8837 0.10000E+01 0.0000 107 SO3-2 0.76617E-16 -16.1157 0.37946E-16 -16.4208 0.49527E+00 -0.3052 108 HSO3- 0.91622E-11 -11.0380 0.75002E-11 -11.1249 0.81860E+00 -0.0869 109 HSO4- 0.29644E-06 -6.5281 0.24349E-06 -6.6135 0.82139E+00 -0.0855 111 S2O3-2 0.40227E-10 -10.3955 0.19590E-10 -10.7080 0.48700E+00 -0.3125 112 HS2O3- 0.13508E-10 -10.8694 0.11057E-10 -10.9563 0.81860E+00 -0.0869 113 H2S2O3,aq 0.55959E-12 -12.2521 0.55959E-12 -12.2521 0.10000E+01 0.0000 121 S4O6-2 0.45943E-18 -18.3378 0.22374E-18 -18.6503 0.48700E+00 -0.3125 Charge balance for all species = -.5713E-08 Component Molality Aq.molality ppm log[A(N)/A(H+)**Z] (total) 1 H+ 0.3829086E-02 0.3270378E+00 0.3246250E+03 0.0000 2 H2O 0.1000000E+01 0.5520828E+02 0.9794789E+06 0.0000 3 Cl- 0.2450064E-01 0.2462472E-01 0.8597527E+03 0.8030 4 SO4-- 0.1639367E-06 0.4642355E-06 0.4391749E-01 -2.0952 5 HCO3- 0.5156076E-04 0.3000179E+00 0.1802805E+05 -1.8731 6 HS- 0.2593500E-05 0.2166707E-01 0.7056836E+03 -3.1722 7 Al+++ 0.1140475E-06 0.1246249E-06 0.3311465E-02 -0.1353 8 H4SiO4 0.1012854E-02 0.1012854E-02 0.9587144E+02 -2.9945 9 Ca++ 0.2115227E-06 0.2158579E-06 0.8519681E-02 -1.9883 10 Mg++ 0.8509042E-10 0.8680985E-10 0.2078447E-05 -5.3861 11 Fe++ 0.2480638E-08 0.2532315E-08 0.1392730E-03 -3.9209 12 K+ 0.1464621E-03 0.1465060E-03 0.5641618E+01 -1.4196 13 Na+ 0.2066787E-01 0.2078059E-01 0.4704813E+03 0.7290 14 Mn++ 0.2176416E-08 0.2336076E-08 0.1263889E-03 -3.9773 15 F- 0.8873332E-04 0.1655050E-02 0.3096479E+02 -1.6391 16 HPO4-- 0.6291999E-12 0.4324574E-07 0.4087605E-02 -7.5110 Component Tot moles Aq. moles Solid moles Gas moles 1 H+ 0.4106724E+00 0.3152591E+00 0.9541326E-01 0.0000000E+00 2 H2O 0.5312120E+02 0.5321989E+02 -.9868671E-01 0.0000000E+00 3 Cl- 0.2373783E-01 0.2373783E-01 0.0000000E+00 0.0000000E+00 4 SO4-- 0.1908497E-01 0.4475155E-06 0.1908452E-01 0.0000000E+00 5 HCO3- 0.2892123E+00 0.2892123E+00 0.0000000E+00 0.0000000E+00 6 HS- 0.7814029E-01 0.2088671E-01 0.5725359E-01 0.0000000E+00 7 Al+++ 0.4775352E-05 0.1201364E-06 0.4655216E-05 0.0000000E+00 8 H4SiO4 0.1215302E-01 0.9763750E-03 0.1117665E-01 0.0000000E+00 9 Ca++ 0.2080835E-06 0.2080835E-06 0.0000000E+00 0.0000000E+00 10 Mg++ 0.8368328E-10 0.8368328E-10 0.0000000E+00 0.0000000E+00 11 Fe++ 0.3259227E-07 0.2441110E-08 0.3015116E-07 0.0000000E+00 12 K+ 0.1412294E-03 0.1412294E-03 0.0000000E+00 0.0000000E+00 13 Na+ 0.2003215E-01 0.2003215E-01 0.0000000E+00 0.0000000E+00 14 Mn++ 0.2251939E-08 0.2251939E-08 0.0000000E+00 0.0000000E+00 15 F- 0.1600096E-02 0.1595441E-02 0.4655216E-05 0.0000000E+00 16 HPO4-- 0.4168819E-07 0.4168819E-07 0.0000000E+00 0.0000000E+00 Chg. balance for solid moles: -.4331E-17 Mass of aqueous solution: 0.978860E+03 g Temperature = 100.00 C Pressure = 50.00 bar Mixer frac. = 3.9999900 Log Log Vol Gas or mineral Moles Moles Grams Grams Wt.% (cm3) pyrite 0.3015E-07 -7.521 0.3618E-05 -5.442 0.1160E-03 0.7218E-06 quartz 0.1117E-01 -1.952 0.6714 -0.173 21.52 0.2535 sulfur 0.7634E-01 -1.117 2.447 0.389 78.46 1.184 topaz 0.2328E-05 -5.633 0.4284E-03 -3.368 0.1373E-01 0.1199E-03 Partial press. Fugacity coef Log fugacity Gas or Mineral Mole fraction or activity Activity coef Log activity pyrite 0.1000E+01 0.1000E+01 1.0000 0.000 quartz 0.1000E+01 0.1000E+01 1.0000 0.000 sulfur 0.1000E+01 0.1000E+01 1.0000 0.000 topaz 0.1000E+01 0.1000E+01 1.0000 0.000 Solid products produced: Mass = 3.119183 g Volume = 1.437687 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. Reactant consumed: 3.9999900 moles log = 0.6021 Original solution: 1000.0103000 g Original solution / Rock added: 250.00 (Water/Rock Ratio), log = 2.3979 Gas composition at saturation ( 3 iterations) ------------------------------------------------- Temperature: 100.0000 deg.C Sat. pressure: 35.8105 bar Gas Mole fraction phi Fugacity Partial P(bar) H2O,gas 0.3422E-01 0.8163 0.1000E+01 0.1225E+01 CO2,gas 0.9476E+00 0.9044 0.3069E+02 0.3393E+02 CH4,gas 0.4336E-07 1.0270 0.1595E-05 0.1553E-05 H2,gas 0.1305E-06 1.0193 0.4762E-05 0.4672E-05 H2S,gas 0.1821E-01 0.8732 0.5695E+00 0.6522E+00 S2,gas 0.1499E-10 1.0000 0.5368E-09 0.5368E-09 CO,gas 0.1094E-08 1.0000 0.3918E-07 0.3918E-07 SO3,gas 0.8470E-29 1.0000 0.3033E-27 0.3033E-27 SO2,gas 0.1578E-11 1.0000 0.5652E-10 0.5652E-10 HF,gas 0.1074E-06 1.0000 0.3845E-05 0.3845E-05 HCl,gas 0.5717E-09 1.0000 0.2047E-07 0.2047E-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 145 pyrite -21.25 -21.25 0.00 0.000 -0.60662E-11 150 quartz -2.99 -2.99 0.00 0.000 0.00000E+00 172 sulfur -9.15 -9.15 0.00 0.000 0.00000E+00 214 topaz -16.55 -16.55 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 1.70 0.00 -1.70 -1.699 0.29008E+04 0.000 2 CO2,gas -6.66 -6.87 -0.21 -0.071 0.36195E+03 1.487 3 CH4,gas 4.54 -2.95 -7.50 -1.874 0.12800E+05 -5.797 4 H2,gas 8.00 0.98 -7.02 -4.012 0.11988E+05 -5.322 5 H2S,gas -6.23 -8.17 -1.94 -0.972 0.33184E+04 -0.245 6 S2,gas -7.34 -18.30 -10.97 -1.688 0.18730E+05 -9.270 7 CO,gas 3.21 -5.89 -9.11 -2.802 0.15548E+05 -7.407 8 SO3,gas 17.12 -12.10 -29.22 -7.304 0.49887E+05 -27.518 9 SO2,gas 0.83 -11.11 -11.95 -3.186 0.20399E+05 -10.248 10 HF,gas 0.47 -6.64 -7.11 -3.557 0.12147E+05 -5.415 11 HCl,gas 5.19 -4.20 -9.39 -4.694 0.16029E+05 -7.689 57 coesite -2.38 -2.99 -0.61 -0.204 0.10473E+04 64 cristobalite -2.56 -2.99 -0.43 -0.143 0.73267E+03 68 diaspore 2.87 -0.14 -3.01 -0.502 0.51463E+04 69 diamond -3.10 -4.91 -1.81 -0.516 0.30862E+04 86 gibbsite 4.08 -0.14 -4.22 -0.603 0.72091E+04 89 graphite -3.55 -4.91 -1.36 -0.390 0.23284E+04 101 kaolinite -1.33 -6.26 -4.93 -0.448 0.84164E+04 181 tridymite -2.63 -2.99 -0.36 -0.121 0.61998E+03 202 chalcedony -2.80 -2.99 -0.19 -0.062 0.31930E+03 237 boehmite 4.41 -0.14 -4.55 -0.758 0.77632E+04 245 silica-amorphous -2.09 -2.99 -0.90 -0.299 0.15335E+04 Calculations done for 100.0000 Deg. C; 50.0000 bar Next reactant titration increment of: 0.1000000 MOLES Current total amount of reactant added: 3.9999900 MOLES New total amount of reactant added: 4.0999900 MOLES Mixing fraction reached given limit of 0.4000E+01 TOTMIX = 0.4100E+01 Execution stopped.