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. 0.23042E-01 0.10538E-05 0.8294 0.00000000E+00 H2O 2 0. 0.50174E+02 0.10000E+01 0.9995 0.00000000E+00 Cl- 3 -1. 0.24978E-02 0.27475E-02 0.8236 0.00000000E+00 SO4-- 4 -2. 0.18950E-02 0.20911E-02 0.4923 0.00000000E+00 HCO3- 5 -1. 0.28932E-01 0.12499E-01 0.8250 0.00000000E+00 HS- 6 -1. 0.78503E-02 0.26701E-02 0.8238 0.00000000E+00 Al+++ 7 3. 0.47754E-05 0.68782E-15 0.2045 0.00000000E+00 H4SiO4 8 0. 0.12153E-01 0.10237E-02 1.0000 0.00000000E+00 Ca++ 9 2. 0.20808E-06 0.17360E-06 0.4881 0.00000000E+00 Mg++ 10 2. 0.83683E-10 0.79296E-10 0.4855 0.00000000E+00 Fe++ 11 2. 0.32592E-07 0.95166E-14 0.4861 0.00000000E+00 K+ 12 1. 0.14123E-03 0.15366E-03 0.8253 0.00000000E+00 Na+ 13 1. 0.20032E-01 0.22130E-01 0.8235 0.00000000E+00 Mn++ 14 2. 0.22519E-08 0.21529E-08 0.4866 0.00000000E+00 F- 15 -1. 0.16010E-03 0.17550E-03 0.8217 0.00000000E+00 HPO4-- 16 -2. 0.41688E-07 0.43345E-08 0.4924 0.00000000E+00 Chg. balance for total moles = -.5508E-08 Max. difference allowed = 0.2498E-06 The following parameters were given: ERPC = 0.1000E-11 pH = 0.0000 PFLUID = 50.0000 SLIM = 0.800000E+00 TEMP = 100.0000 SINC = 0.2000E-01 TEMPC = 0.0000 TOTMIX = 0.399990E+00 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 0.1122E-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 0.0000E+00 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 0.0000E+00 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 0.2377E-05 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: 0.3999900 moles log = -0.3980 Original solution: 1000.0103000 g Original solution / Rock added: 2500.09 (Water/Rock Ratio), log = 3.3980 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 = 8 Loop limit = 400 Temperature = 100.00 C Pressure = 50.00 bar Mixer fraction = 0.3999900 Water: Moles liquid = 0.5021E+02 kg liquid = 0.9046E+00 Moles total = 0.5017E+02 kg total = 0.9039E+00 Activity = 0.9995 Stoichiometric ionic strength = .3715285E-01 Osmotic coef. = 0.8983 True ionic strength = .2437824E-01 Chg. balance for total moles = -.5508E-08 Max. difference allowed = 0.2498E-06 Log Log Log Species(n) Molality Molality Activity Activity Gamma Gamma 1 H+ 0.10538E-05 -5.9772 0.87408E-06 -6.0584 0.82945E+00 -0.0812 2 H2O 0.99954E+00 -0.0002 0.99954E+00 -0.0002 3 Cl- 0.27475E-02 -2.5611 0.22630E-02 -2.6453 0.82364E+00 -0.0843 4 SO4-- 0.20911E-02 -2.6796 0.10295E-02 -2.9874 0.49232E+00 -0.3077 5 HCO3- 0.12499E-01 -1.9031 0.10312E-01 -1.9866 0.82505E+00 -0.0835 6 HS- 0.26701E-02 -2.5735 0.21996E-02 -2.6577 0.82378E+00 -0.0842 7 Al+++ 0.68782E-15 -15.1625 0.14067E-15 -15.8518 0.20452E+00 -0.6893 8 H4SiO4 0.10237E-02 -2.9898 0.10237E-02 -2.9898 0.10000E+01 0.0000 9 Ca++ 0.17360E-06 -6.7604 0.84736E-07 -7.0719 0.48810E+00 -0.3115 10 Mg++ 0.79296E-10 -10.1007 0.38498E-10 -10.4146 0.48550E+00 -0.3138 11 Fe++ 0.95166E-14 -14.0215 0.46262E-14 -14.3348 0.48612E+00 -0.3133 12 K+ 0.15366E-03 -3.8135 0.12681E-03 -3.8969 0.82527E+00 -0.0834 13 Na+ 0.22130E-01 -1.6550 0.18223E-01 -1.7394 0.82346E+00 -0.0844 14 Mn++ 0.21529E-08 -8.6670 0.10476E-08 -8.9798 0.48659E+00 -0.3128 15 F- 0.17550E-03 -3.7557 0.14420E-03 -3.8410 0.82167E+00 -0.0853 16 HPO4-- 0.43345E-08 -8.3631 0.21343E-08 -8.6707 0.49241E+00 -0.3077 18 HSiO3- 0.13283E-05 -5.8767 0.10941E-05 -5.9610 0.82364E+00 -0.0843 19 Ca(HSiO3)+ 0.25576E-11 -11.5922 0.21113E-11 -11.6755 0.82548E+00 -0.0833 20 Mg(HSiO3)+ 0.14461E-14 -14.8398 0.11938E-14 -14.9231 0.82548E+00 -0.0833 21 NaHSiO3,aq 0.32245E-06 -6.4915 0.32245E-06 -6.4915 0.10000E+01 0.0000 22 AlO+ 0.30330E-10 -10.5181 0.25037E-10 -10.6014 0.82548E+00 -0.0833 23 AlOH+2 0.22369E-12 -12.6503 0.10897E-12 -12.9627 0.48714E+00 -0.3123 24 HAlO2,aq 0.57017E-08 -8.2440 0.57017E-08 -8.2440 0.10000E+01 0.0000 25 AlO2- 0.17568E-07 -7.7553 0.14439E-07 -7.8405 0.82191E+00 -0.0852 26 CH4,aq 0.21628E-07 -7.6650 0.21393E-07 -7.6697 0.98911E+00 -0.0048 27 C2H6,aq 0.52524E-17 -17.2796 0.51952E-17 -17.2844 0.98911E+00 -0.0048 31 CO,aq 0.72934E-11 -11.1371 0.72934E-11 -11.1371 0.10000E+01 0.0000 32 CO2,aq 0.19482E-01 -1.7104 0.19269E-01 -1.7151 0.98911E+00 -0.0048 33 CO3-2 0.20983E-05 -5.6781 0.10305E-05 -5.9870 0.49111E+00 -0.3088 34 CaCO3,aq 0.10949E-08 -8.9606 0.10949E-08 -8.9606 0.10000E+01 0.0000 35 Ca(HCO3)+ 0.27021E-07 -7.5683 0.22305E-07 -7.6516 0.82548E+00 -0.0833 36 CaCl+ 0.37593E-09 -9.4249 0.31032E-09 -9.5082 0.82548E+00 -0.0833 37 CaCl2,aq 0.16684E-12 -12.7777 0.16684E-12 -12.7777 0.10000E+01 0.0000 38 CaF+ 0.21612E-09 -9.6653 0.17840E-09 -9.7486 0.82548E+00 -0.0833 39 CaOH+ 0.83659E-11 -11.0775 0.69058E-11 -11.1608 0.82548E+00 -0.0833 40 CaSO4,aq 0.27701E-07 -7.5575 0.27701E-07 -7.5575 0.10000E+01 0.0000 41 HCl,aq 0.36246E-09 -9.4407 0.36246E-09 -9.4407 0.10000E+01 0.0000 45 HF,aq 0.86286E-06 -6.0641 0.86286E-06 -6.0641 0.10000E+01 0.0000 46 HF2- 0.51004E-10 -10.2924 0.42009E-10 -10.3767 0.82364E+00 -0.0843 48 FeCl+ 0.20074E-16 -16.6974 0.16571E-16 -16.7807 0.82548E+00 -0.0833 51 FeF+ 0.41297E-16 -16.3841 0.34090E-16 -16.4674 0.82548E+00 -0.0833 53 FeO,aq 0.23522E-18 -18.6285 0.23522E-18 -18.6285 0.10000E+01 0.0000 54 FeOH+ 0.20861E-15 -15.6807 0.17220E-15 -15.7640 0.82548E+00 -0.0833 59 HFeO2,aq 0.99605E-19 -19.0017 0.99605E-19 -19.0017 0.10000E+01 0.0000 60 H2,aq 0.15226E-07 -7.8174 0.15060E-07 -7.8222 0.98911E+00 -0.0048 61 KCl,aq 0.52009E-08 -8.2839 0.52009E-08 -8.2839 0.10000E+01 0.0000 62 KHSO4,aq 0.32263E-12 -12.4913 0.32263E-12 -12.4913 0.10000E+01 0.0000 63 KOH,aq 0.61926E-10 -10.2081 0.61926E-10 -10.2081 0.10000E+01 0.0000 64 KSO4- 0.24595E-05 -5.6092 0.20258E-05 -5.6934 0.82364E+00 -0.0843 65 MgCO3,aq 0.12469E-12 -12.9042 0.12469E-12 -12.9042 0.10000E+01 0.0000 66 Mg(HCO3)+ 0.12544E-10 -10.9015 0.10355E-10 -10.9848 0.82548E+00 -0.0833 67 MgCl+ 0.15480E-12 -12.8102 0.12778E-12 -12.8935 0.82548E+00 -0.0833 68 MgF+ 0.36372E-12 -12.4392 0.30024E-12 -12.5225 0.82548E+00 -0.0833 69 MgOH+ 0.21032E-13 -13.6771 0.17362E-13 -13.7604 0.82548E+00 -0.0833 71 MnF+ 0.30823E-11 -11.5111 0.25444E-11 -11.5944 0.82548E+00 -0.0833 72 MnO,aq 0.14193E-14 -14.8479 0.14193E-14 -14.8479 0.10000E+01 0.0000 73 MnOH+ 0.43882E-11 -11.3577 0.36224E-11 -11.4410 0.82548E+00 -0.0833 75 HMnO2- 0.14327E-19 -19.8438 0.11800E-19 -19.9281 0.82364E+00 -0.0843 78 MnCl+ 0.17684E-10 -10.7524 0.14598E-10 -10.8357 0.82548E+00 -0.0833 79 MnSO4,aq 0.31134E-09 -9.5068 0.31134E-09 -9.5068 0.10000E+01 0.0000 80 NaCl,aq 0.13666E-04 -4.8644 0.13666E-04 -4.8644 0.10000E+01 0.0000 81 NaF,aq 0.61521E-06 -6.2110 0.61521E-06 -6.2110 0.10000E+01 0.0000 82 NaOH,aq 0.89532E-08 -8.0480 0.89532E-08 -8.0480 0.10000E+01 0.0000 84 OH- 0.80386E-06 -6.0948 0.66070E-06 -6.1800 0.82191E+00 -0.0852 89 HPO3-2 0.20406E-18 -18.6902 0.10021E-18 -18.9991 0.49111E+00 -0.3088 91 H2PO3- 0.21327E-18 -18.6711 0.17566E-18 -18.7553 0.82364E+00 -0.0843 92 H3PO4,aq 0.11405E-10 -10.9429 0.11405E-10 -10.9429 0.10000E+01 0.0000 93 H2PO4- 0.41738E-07 -7.3795 0.34415E-07 -7.4633 0.82455E+00 -0.0838 94 PO4-3 0.91995E-14 -14.0362 0.19922E-14 -14.7007 0.21656E+00 -0.6644 96 H3P2O7- 0.30425E-19 -19.5168 0.25060E-19 -19.6010 0.82364E+00 -0.0843 97 H2P2O7-2 0.18919E-15 -15.7231 0.92910E-16 -16.0319 0.49111E+00 -0.3088 98 HP2O7-3 0.10365E-15 -15.9844 0.21224E-16 -16.6732 0.20478E+00 -0.6887 99 P2O7-4 0.92953E-19 -19.0317 0.58009E-20 -20.2365 0.62407E-01 -1.2048 100 H2S,aq 0.60075E-02 -2.2213 0.59421E-02 -2.2261 0.98911E+00 -0.0048 101 S2-2 0.14495E-07 -7.8388 0.71185E-08 -8.1476 0.49111E+00 -0.3088 102 S3-2 0.77052E-08 -8.1132 0.37841E-08 -8.4220 0.49111E+00 -0.3088 103 S3- 0.21935E-07 -7.6589 0.18067E-07 -7.7431 0.82364E+00 -0.0843 104 S4-2 0.27057E-08 -8.5677 0.13288E-08 -8.8766 0.49111E+00 -0.3088 105 S5-2 0.63352E-09 -9.1982 0.31113E-09 -9.5071 0.49111E+00 -0.3088 106 SO2,aq 0.52950E-13 -13.2761 0.52950E-13 -13.2761 0.10000E+01 0.0000 107 SO3-2 0.40363E-11 -11.3940 0.20157E-11 -11.6956 0.49939E+00 -0.3016 108 HSO3- 0.13394E-09 -9.8731 0.11031E-09 -9.9574 0.82364E+00 -0.0843 109 HSO4- 0.10494E-05 -5.9791 0.86721E-06 -6.0619 0.82642E+00 -0.0828 111 S2O3-2 0.14639E-06 -6.8345 0.71892E-07 -7.1433 0.49111E+00 -0.3088 112 HS2O3- 0.13642E-10 -10.8651 0.11236E-10 -10.9494 0.82364E+00 -0.0843 113 H2S2O3,aq 0.15744E-15 -15.8029 0.15744E-15 -15.8029 0.10000E+01 0.0000 121 S4O6-2 0.11330E-18 -18.9458 0.55644E-19 -19.2546 0.49111E+00 -0.3088 Charge balance for all species = -.6088E-08 Component Molality Aq.molality ppm log[A(N)/A(H+)**Z] (total) 1 H+ 0.1053814E-05 0.2548761E-01 0.2561756E+02 0.0000 2 H2O 0.1000000E+01 0.5548877E+02 0.9968285E+06 0.0000 3 Cl- 0.2747511E-02 0.2761183E-02 0.9761625E+02 3.4131 4 SO4-- 0.2091072E-02 0.2094754E-02 0.2006581E+03 9.1295 5 HCO3- 0.1249918E-01 0.3198283E-01 0.1946001E+04 4.0718 6 HS- 0.2670120E-02 0.8677927E-02 0.2861873E+03 3.4008 7 Al+++ 0.6878193E-15 0.2330004E-07 0.6268976E-03 2.3235 8 H4SiO4 0.1023685E-02 0.1025336E-02 0.9827271E+02 -2.9898 9 Ca++ 0.1736027E-06 0.2300228E-06 0.9192863E-02 5.0450 10 Mg++ 0.7929629E-10 0.9250643E-10 0.2242676E-05 1.7023 11 Fe++ 0.9516603E-14 0.9786926E-14 0.5450296E-09 -2.2179 12 K+ 0.1536551E-03 0.1561199E-03 0.6087391E+01 2.1616 13 Na+ 0.2212963E-01 0.2214424E-01 0.5076564E+03 4.3191 14 Mn++ 0.2152875E-08 0.2489372E-08 0.1363756E-03 3.1371 15 F- 0.1754973E-03 0.1769757E-03 0.3352706E+01 2.2174 16 HPO4-- 0.4334481E-08 0.4608358E-07 0.4410587E-02 3.4462 Component Tot moles Aq. moles Solid moles Gas moles 1 H+ 0.2304238E-01 0.2305664E-01 -.1425467E-04 0.0000000E+00 2 H2O 0.5017388E+02 0.5019632E+02 -.2243911E-01 0.0000000E+00 3 Cl- 0.2497825E-02 0.2497825E-02 0.0000000E+00 0.0000000E+00 4 SO4-- 0.1894967E-02 0.1894959E-02 0.8148065E-08 0.0000000E+00 5 HCO3- 0.2893235E-01 0.2893235E-01 0.0000000E+00 0.0000000E+00 6 HS- 0.7850294E-02 0.7850237E-02 0.5703646E-07 0.0000000E+00 7 Al+++ 0.4775352E-05 0.2107771E-07 0.4754274E-05 0.0000000E+00 8 H4SiO4 0.1215302E-01 0.9275405E-03 0.1122548E-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 0.8853462E-14 0.3259226E-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- 0.1600960E-03 0.1600960E-03 0.0000000E+00 0.0000000E+00 16 HPO4-- 0.4168819E-07 0.4168819E-07 0.0000000E+00 0.0000000E+00 Chg. balance for solid moles: 0.9529E-21 Mass of aqueous solution: 0.907179E+03 g Temperature = 100.00 C Pressure = 50.00 bar Mixer frac. = 0.3999900 Log Log Vol Gas or mineral Moles Moles Grams Grams Wt.% (cm3) kaolinite 0.2377E-05 -5.624 0.6137E-03 -3.212 0.9095E-01 0.2361E-03 pyrite 0.3259E-07 -7.487 0.3910E-05 -5.408 0.5795E-03 0.7802E-06 quartz 0.1122E-01 -1.950 0.6741 -0.171 99.91 0.2546 Partial press. Fugacity coef Log fugacity Gas or Mineral Mole fraction or activity Activity coef Log activity kaolinite 0.1000E+01 0.1000E+01 1.0000 0.000 pyrite 0.1000E+01 0.1000E+01 1.0000 0.000 quartz 0.1000E+01 0.1000E+01 1.0000 0.000 Solid products produced: Mass = 0.674759 g Volume = 0.254822 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: 0.3999900 moles log = -0.3980 Original solution: 1000.0103000 g Original solution / Rock added: 2500.09 (Water/Rock Ratio), log = 3.3980 Gas composition at saturation ( 2 iterations) ------------------------------------------------- Temperature: 100.0000 deg.C Sat. pressure: 3.2769 bar Gas Mole fraction phi Fugacity Partial P(bar) H2O,gas 0.3165E+00 0.9694 0.1006E+01 0.1037E+01 CO2,gas 0.6330E+00 0.9940 0.2062E+01 0.2074E+01 CH4,gas 0.9538E-05 1.0075 0.3149E-04 0.3125E-04 H2,gas 0.6023E-05 1.0017 0.1977E-04 0.1974E-04 H2S,gas 0.5049E-01 0.9873 0.1633E+00 0.1654E+00 S2,gas 0.7818E-12 1.0000 0.2562E-11 0.2562E-11 CO,gas 0.3317E-08 1.0000 0.1087E-07 0.1087E-07 SO3,gas 0.9080E-31 1.0000 0.2975E-30 0.2975E-30 SO2,gas 0.6988E-13 1.0000 0.2290E-12 0.2290E-12 HF,gas 0.6465E-09 1.0000 0.2119E-08 0.2119E-08 HCl,gas 0.1952E-12 1.0000 0.6396E-12 0.6396E-12 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 101 kaolinite -1.33 -1.33 0.00 0.000 -0.64453E-11 145 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 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 -1.697 0.28969E+04 0.002 2 CO2,gas -6.66 -8.04 -1.38 -0.462 0.23644E+04 0.314 3 CH4,gas 4.54 -1.66 -6.20 -1.550 0.10588E+05 -4.502 4 H2,gas 8.00 1.60 -6.40 -3.659 0.10933E+05 -4.704 5 H2S,gas -6.23 -8.72 -2.49 -1.243 0.42445E+04 -0.787 6 S2,gas -7.34 -20.63 -13.29 -2.045 0.22693E+05 -11.591 7 CO,gas 3.21 -6.45 -9.66 -2.973 0.16499E+05 -7.964 8 SO3,gas 17.12 -15.10 -32.23 -8.056 0.55024E+05 -30.526 9 SO2,gas 0.83 -13.51 -14.34 -3.824 0.24484E+05 -12.640 10 HF,gas 0.47 -9.90 -10.37 -5.186 0.17711E+05 -8.674 11 HCl,gas 5.19 -8.70 -13.89 -6.947 0.23722E+05 -12.194 16 albite-high 0.69 -2.33 -3.02 -0.232 0.51551E+04 17 albite -0.38 -2.33 -1.94 -0.149 0.33163E+04 21 analcite 3.32 0.66 -2.66 -0.295 0.45397E+04 22 andalusite 5.00 1.66 -3.34 -0.334 0.57106E+04 25 anhydrite -5.32 -10.06 -4.74 -2.371 0.80977E+04 38 aragonite 0.97 -3.00 -3.97 -1.322 0.67729E+04 40 calcite 0.81 -3.00 -3.81 -1.271 0.65087E+04 57 coesite -2.38 -2.99 -0.61 -0.204 0.10473E+04 62 corundum 8.38 4.65 -3.74 -0.340 0.63802E+04 64 cristobalite -2.56 -2.99 -0.43 -0.143 0.73267E+03 68 diaspore 2.87 2.32 -0.55 -0.092 0.94004E+03 69 diamond -3.10 -4.85 -1.75 -0.500 0.29854E+04 86 gibbsite 4.08 2.32 -1.76 -0.251 0.29989E+04 89 graphite -3.55 -4.85 -1.30 -0.373 0.22276E+04 98 jadeite 4.22 0.66 -3.55 -0.355 0.60648E+04 102 kyanite 4.88 1.66 -3.22 -0.322 0.54965E+04 119 microcline -2.49 -4.48 -2.00 -0.154 0.34099E+04 123 muscovite 2.58 0.16 -2.42 -0.142 0.41316E+04 124 paragonite 4.24 2.32 -1.92 -0.113 0.32770E+04 125 nepheline 8.34 3.65 -4.69 -0.670 0.80024E+04 147 pyrrhotiteFe0.875 -6.02 -10.85 -4.84 -1.779 0.82604E+04 149 pyrophyllite -6.18 -7.31 -1.14 -0.071 0.19391E+04 154 rhodochrosite -0.98 -4.91 -3.93 -1.311 0.67133E+04 156 sanidine -1.28 -4.48 -3.21 -0.247 0.54777E+04 159 sillimanite 5.26 1.66 -3.60 -0.360 0.61545E+04 166 stilbite -7.52 -11.24 -3.71 -0.177 0.63418E+04 172 sulfur -9.15 -10.31 -1.16 -0.357 0.19817E+04 180 topaz-H 4.62 1.66 -2.96 -0.269 0.50569E+04 181 tridymite -2.63 -2.99 -0.36 -0.121 0.61998E+03 196 beidellite-Ca -1.65 -4.73 -3.08 -0.191 0.52595E+04 197 beidellite-H -2.33 -5.56 -3.23 -0.206 0.55186E+04 198 beidellite-K -1.52 -4.84 -3.32 -0.204 0.56769E+04 199 beidellite-Mg -1.79 -5.28 -3.49 -0.216 0.59550E+04 200 beidellite-Na -1.34 -4.13 -2.79 -0.171 0.47652E+04 202 chalcedony -2.80 -2.99 -0.19 -0.062 0.31930E+03 203 dawsonite 1.68 -1.40 -3.08 -0.386 0.52670E+04 204 montmorillonite-Ca -2.29 -6.68 -4.39 -0.272 0.75014E+04 205 montmorillonite-K -2.24 -6.80 -4.57 -0.280 0.77970E+04 206 montmorillonite-Mg -2.48 -7.24 -4.76 -0.294 0.81202E+04 207 montmorillonite-Na -2.04 -6.09 -4.05 -0.248 0.69210E+04 214 topaz -16.55 -18.14 -1.60 -0.177 0.27242E+04 234 alabandite -0.98 -5.58 -4.60 -1.534 0.78564E+04 237 boehmite 4.41 2.32 -2.08 -0.347 0.35570E+04 240 fluorite -9.93 -14.75 -4.82 -1.608 0.82356E+04 245 silica-amorphous -2.09 -2.99 -0.90 -0.299 0.15335E+04 247 an20ab80 2.02 -1.12 -3.14 -0.241 0.53549E+04 248 an25ab75 2.65 -0.82 -3.46 -0.266 0.59116E+04 249 an30ab70 3.28 -0.51 -3.79 -0.292 0.64778E+04 Calculations done for 100.0000 Deg. C; 50.0000 bar Next reactant titration increment of: 0.0200000 MOLES Current total amount of reactant added: 0.3999900 MOLES New total amount of reactant added: 0.4199900 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 = 7 Loop limit = 400 Temperature = 100.00 C Pressure = 50.00 bar Mixer fraction = 0.4199900 Water: Moles liquid = 0.5023E+02 kg liquid = 0.9049E+00 Moles total = 0.5019E+02 kg total = 0.9042E+00 Activity = 0.9995 Stoichiometric ionic strength = .3843660E-01 Osmotic coef. = 0.8972 True ionic strength = .2447382E-01 Chg. balance for total moles = -.5508E-08 Max. difference allowed = 0.2616E-06 Log Log Log Species(n) Molality Molality Activity Activity Gamma Gamma 1 H+ 0.11803E-05 -5.9280 0.97867E-06 -6.0094 0.82920E+00 -0.0813 2 H2O 0.99950E+00 -0.0002 0.99950E+00 -0.0002 3 Cl- 0.28763E-02 -2.5412 0.23683E-02 -2.6256 0.82338E+00 -0.0844 4 SO4-- 0.21955E-02 -2.6585 0.10797E-02 -2.9667 0.49177E+00 -0.3082 5 HCO3- 0.12227E-01 -1.9127 0.10085E-01 -1.9963 0.82479E+00 -0.0837 6 HS- 0.25875E-02 -2.5871 0.21309E-02 -2.6714 0.82352E+00 -0.0843 7 Al+++ 0.96799E-15 -15.0141 0.19747E-15 -15.7045 0.20400E+00 -0.6904 8 H4SiO4 0.10236E-02 -2.9899 0.10236E-02 -2.9899 0.10000E+01 0.0000 9 Ca++ 0.17310E-06 -6.7617 0.84393E-07 -7.0737 0.48754E+00 -0.3120 10 Mg++ 0.79509E-10 -10.0996 0.38557E-10 -10.4139 0.48493E+00 -0.3143 11 Fe++ 0.96751E-14 -14.0143 0.46978E-14 -14.3281 0.48555E+00 -0.3138 12 K+ 0.15348E-03 -3.8139 0.12662E-03 -3.8975 0.82501E+00 -0.0835 13 Na+ 0.22121E-01 -1.6552 0.18210E-01 -1.7397 0.82320E+00 -0.0845 14 Mn++ 0.21390E-08 -8.6698 0.10396E-08 -8.9831 0.48602E+00 -0.3133 15 F- 0.18409E-03 -3.7350 0.15122E-03 -3.8204 0.82141E+00 -0.0854 16 HPO4-- 0.39120E-08 -8.4076 0.19241E-08 -8.7158 0.49185E+00 -0.3082 18 HSiO3- 0.11867E-05 -5.9257 0.97709E-06 -6.0101 0.82338E+00 -0.0844 19 Ca(HSiO3)+ 0.22757E-11 -11.6429 0.18779E-11 -11.7263 0.82522E+00 -0.0834 20 Mg(HSiO3)+ 0.12939E-14 -14.8881 0.10678E-14 -14.9715 0.82522E+00 -0.0834 21 NaHSiO3,aq 0.28778E-06 -6.5409 0.28778E-06 -6.5409 0.10000E+01 0.0000 22 AlO+ 0.33972E-10 -10.4689 0.28034E-10 -10.5523 0.82522E+00 -0.0834 23 AlOH+2 0.28077E-12 -12.5516 0.13662E-12 -12.8645 0.48658E+00 -0.3128 24 HAlO2,aq 0.57018E-08 -8.2440 0.57018E-08 -8.2440 0.10000E+01 0.0000 25 AlO2- 0.15696E-07 -7.8042 0.12896E-07 -7.8895 0.82165E+00 -0.0853 26 CH4,aq 0.19544E-07 -7.7090 0.19324E-07 -7.7139 0.98876E+00 -0.0049 27 C2H6,aq 0.44986E-17 -17.3469 0.44480E-17 -17.3518 0.98876E+00 -0.0049 31 CO,aq 0.76113E-11 -11.1185 0.76113E-11 -11.1185 0.10000E+01 0.0000 32 CO2,aq 0.21340E-01 -1.6708 0.21100E-01 -1.6757 0.98876E+00 -0.0049 33 CO3-2 0.18348E-05 -5.7364 0.90008E-06 -6.0457 0.49055E+00 -0.3093 34 CaCO3,aq 0.95245E-09 -9.0212 0.95245E-09 -9.0212 0.10000E+01 0.0000 35 Ca(HCO3)+ 0.26326E-07 -7.5796 0.21725E-07 -7.6630 0.82522E+00 -0.0834 36 CaCl+ 0.39195E-09 -9.4068 0.32345E-09 -9.4902 0.82522E+00 -0.0834 37 CaCl2,aq 0.18199E-12 -12.7400 0.18199E-12 -12.7400 0.10000E+01 0.0000 38 CaF+ 0.22578E-09 -9.6463 0.18632E-09 -9.7297 0.82522E+00 -0.0834 39 CaOH+ 0.74436E-11 -11.1282 0.61426E-11 -11.2116 0.82522E+00 -0.0834 40 CaSO4,aq 0.28934E-07 -7.5386 0.28934E-07 -7.5386 0.10000E+01 0.0000 41 HCl,aq 0.42472E-09 -9.3719 0.42472E-09 -9.3719 0.10000E+01 0.0000 45 HF,aq 0.10131E-05 -5.9943 0.10131E-05 -5.9943 0.10000E+01 0.0000 46 HF2- 0.62818E-10 -10.2019 0.51723E-10 -10.2863 0.82338E+00 -0.0844 48 FeCl+ 0.21340E-16 -16.6708 0.17610E-16 -16.7542 0.82522E+00 -0.0834 51 FeF+ 0.43990E-16 -16.3566 0.36302E-16 -16.4401 0.82522E+00 -0.0834 53 FeO,aq 0.19053E-18 -18.7200 0.19053E-18 -18.7200 0.10000E+01 0.0000 54 FeOH+ 0.18925E-15 -15.7230 0.15617E-15 -15.8064 0.82522E+00 -0.0834 59 HFeO2,aq 0.82641E-19 -19.0828 0.82641E-19 -19.0828 0.10000E+01 0.0000 60 H2,aq 0.14515E-07 -7.8382 0.14352E-07 -7.8431 0.98876E+00 -0.0049 61 KCl,aq 0.54351E-08 -8.2648 0.54351E-08 -8.2648 0.10000E+01 0.0000 62 KHSO4,aq 0.37830E-12 -12.4222 0.37830E-12 -12.4222 0.10000E+01 0.0000 63 KOH,aq 0.55227E-10 -10.2579 0.55227E-10 -10.2579 0.10000E+01 0.0000 64 KSO4- 0.25766E-05 -5.5890 0.21215E-05 -5.6734 0.82338E+00 -0.0844 65 MgCO3,aq 0.10907E-12 -12.9623 0.10907E-12 -12.9623 0.10000E+01 0.0000 66 Mg(HCO3)+ 0.12290E-10 -10.9104 0.10142E-10 -10.9939 0.82522E+00 -0.0834 67 MgCl+ 0.16230E-12 -12.7897 0.13393E-12 -12.8731 0.82522E+00 -0.0834 68 MgF+ 0.38211E-12 -12.4178 0.31533E-12 -12.5012 0.82522E+00 -0.0834 69 MgOH+ 0.18818E-13 -13.7254 0.15529E-13 -13.8089 0.82522E+00 -0.0834 71 MnF+ 0.32087E-11 -11.4937 0.26479E-11 -11.5771 0.82522E+00 -0.0834 72 MnO,aq 0.11235E-14 -14.9494 0.11235E-14 -14.9494 0.10000E+01 0.0000 73 MnOH+ 0.38905E-11 -11.4100 0.32105E-11 -11.4934 0.82522E+00 -0.0834 75 HMnO2- 0.10132E-19 -19.9943 0.83423E-20 -20.0787 0.82338E+00 -0.0844 78 MnCl+ 0.18372E-10 -10.7358 0.15161E-10 -10.8193 0.82522E+00 -0.0834 79 MnSO4,aq 0.32404E-09 -9.4894 0.32404E-09 -9.4894 0.10000E+01 0.0000 80 NaCl,aq 0.14292E-04 -4.8449 0.14292E-04 -4.8449 0.10000E+01 0.0000 81 NaF,aq 0.64468E-06 -6.1907 0.64468E-06 -6.1907 0.10000E+01 0.0000 82 NaOH,aq 0.79904E-08 -8.0974 0.79904E-08 -8.0974 0.10000E+01 0.0000 84 OH- 0.71815E-06 -6.1438 0.59007E-06 -6.2291 0.82165E+00 -0.0853 89 HPO3-2 0.17552E-18 -18.7557 0.86102E-19 -19.0650 0.49055E+00 -0.3093 91 H2PO3- 0.20522E-18 -18.6878 0.16898E-18 -18.7722 0.82338E+00 -0.0844 92 H3PO4,aq 0.12889E-10 -10.8898 0.12889E-10 -10.8898 0.10000E+01 0.0000 93 H2PO4- 0.42142E-07 -7.3753 0.34738E-07 -7.4592 0.82429E+00 -0.0839 94 PO4-3 0.74246E-14 -14.1293 0.16041E-14 -14.7948 0.21605E+00 -0.6654 96 H3P2O7- 0.34720E-19 -19.4594 0.28588E-19 -19.5438 0.82338E+00 -0.0844 97 H2P2O7-2 0.19298E-15 -15.7145 0.94665E-16 -16.0238 0.49055E+00 -0.3093 98 HP2O7-3 0.94557E-16 -16.0243 0.19314E-16 -16.7141 0.20426E+00 -0.6898 99 P2O7-4 0.75878E-19 -19.1199 0.47146E-20 -20.3266 0.62135E-01 -1.2067 100 H2S,aq 0.65185E-02 -2.1859 0.64452E-02 -2.1908 0.98876E+00 -0.0049 101 S2-2 0.14290E-07 -7.8450 0.70101E-08 -8.1543 0.49055E+00 -0.3093 102 S3-2 0.86459E-08 -8.0632 0.42413E-08 -8.3725 0.49055E+00 -0.3093 103 S3- 0.28207E-07 -7.5496 0.23225E-07 -7.6340 0.82338E+00 -0.0844 104 S4-2 0.34554E-08 -8.4615 0.16951E-08 -8.7708 0.49055E+00 -0.3093 105 S5-2 0.92086E-09 -9.0358 0.45173E-09 -9.3451 0.49055E+00 -0.3093 106 SO2,aq 0.66351E-13 -13.1782 0.66351E-13 -13.1782 0.10000E+01 0.0000 107 SO3-2 0.40387E-11 -11.3938 0.20147E-11 -11.6958 0.49885E+00 -0.3020 108 HSO3- 0.14994E-09 -9.8241 0.12346E-09 -9.9085 0.82338E+00 -0.0844 109 HSO4- 0.12326E-05 -5.9092 0.10183E-05 -5.9921 0.82617E+00 -0.0829 111 S2O3-2 0.16672E-06 -6.7780 0.81786E-07 -7.0873 0.49055E+00 -0.3093 112 HS2O3- 0.17381E-10 -10.7599 0.14312E-10 -10.8443 0.82338E+00 -0.0844 113 H2S2O3,aq 0.22454E-15 -15.6487 0.22454E-15 -15.6487 0.10000E+01 0.0000 121 S4O6-2 0.19311E-18 -18.7142 0.94730E-19 -19.0235 0.49055E+00 -0.3093 Charge balance for all species = -.6086E-08 Component Molality Aq.molality ppm log[A(N)/A(H+)**Z] (total) 1 H+ 0.1180256E-05 0.2785815E-01 0.2799755E+02 0.0000 2 H2O 0.1000000E+01 0.5548691E+02 0.9967012E+06 0.0000 3 Cl- 0.2876286E-02 0.2890585E-02 0.1021814E+03 3.3838 4 SO4-- 0.2195521E-02 0.2199532E-02 0.2106750E+03 9.0520 5 HCO3- 0.1222730E-01 0.3356921E-01 0.2042332E+04 4.0130 6 HS- 0.2587500E-02 0.9106324E-02 0.3002870E+03 3.3379 7 Al+++ 0.9679908E-15 0.2143181E-07 0.5765779E-03 2.3236 8 H4SiO4 0.1023598E-02 0.1025072E-02 0.9823819E+02 -2.9899 9 Ca++ 0.1730992E-06 0.2299401E-06 0.9188691E-02 4.9450 10 Mg++ 0.7950936E-10 0.9247316E-10 0.2241658E-05 1.6048 11 Fe++ 0.9675079E-14 0.9929937E-14 0.5529417E-09 -2.3094 12 K+ 0.1534817E-03 0.1560638E-03 0.6084629E+01 2.1119 13 Na+ 0.2212104E-01 0.2213628E-01 0.5074260E+03 4.2697 14 Mn++ 0.2138965E-08 0.2488477E-08 0.1363137E-03 3.0356 15 F- 0.1840942E-03 0.1857524E-03 0.3518643E+01 2.1890 16 HPO4-- 0.3911951E-08 0.4606701E-07 0.4408585E-02 3.3030 Component Tot moles Aq. moles Solid moles Gas moles 1 H+ 0.2519588E-01 0.2521014E-01 -.1425972E-04 0.0000000E+00 2 H2O 0.5019025E+02 0.5021269E+02 -.2243891E-01 0.0000000E+00 3 Cl- 0.2615825E-02 0.2615825E-02 0.0000000E+00 0.0000000E+00 4 SO4-- 0.1990467E-02 0.1990459E-02 0.8148065E-08 0.0000000E+00 5 HCO3- 0.3037835E-01 0.3037835E-01 0.0000000E+00 0.0000000E+00 6 HS- 0.8240794E-02 0.8240737E-02 0.5703646E-07 0.0000000E+00 7 Al+++ 0.4775352E-05 0.1939465E-07 0.4755957E-05 0.0000000E+00 8 H4SiO4 0.1215302E-01 0.9276355E-03 0.1122538E-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 0.8986063E-14 0.3259226E-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- 0.1680960E-03 0.1680960E-03 0.0000000E+00 0.0000000E+00 16 HPO4-- 0.4168819E-07 0.4168819E-07 0.0000000E+00 0.0000000E+00 Chg. balance for solid moles: 0.4235E-21 Mass of aqueous solution: 0.907591E+03 g Temperature = 100.00 C Pressure = 50.00 bar Mixer frac. = 0.4199900 Log Log Vol Gas or mineral Moles Moles Grams Grams Wt.% (cm3) kaolinite 0.2378E-05 -5.624 0.6139E-03 -3.212 0.9098E-01 0.2362E-03 pyrite 0.3259E-07 -7.487 0.3910E-05 -5.408 0.5795E-03 0.7802E-06 quartz 0.1122E-01 -1.950 0.6741 -0.171 99.91 0.2546 Partial press. Fugacity coef Log fugacity Gas or Mineral Mole fraction or activity Activity coef Log activity kaolinite 0.1000E+01 0.1000E+01 1.0000 0.000 pyrite 0.1000E+01 0.1000E+01 1.0000 0.000 quartz 0.1000E+01 0.1000E+01 1.0000 0.000 Solid products produced: Mass = 0.674753 g Volume = 0.254820 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: 0.4199900 moles log = -0.3768 Original solution: 1000.0103000 g Original solution / Rock added: 2381.03 (Water/Rock Ratio), log = 3.3768 Gas composition at saturation ( 2 iterations) ------------------------------------------------- Temperature: 100.0000 deg.C Sat. pressure: 3.4911 bar Gas Mole fraction phi Fugacity Partial P(bar) H2O,gas 0.2974E+00 0.9683 0.1005E+01 0.1038E+01 CO2,gas 0.6511E+00 0.9931 0.2257E+01 0.2273E+01 CH4,gas 0.8087E-05 1.0074 0.2844E-04 0.2823E-04 H2,gas 0.5387E-05 1.0019 0.1884E-04 0.1881E-04 H2S,gas 0.5144E-01 0.9865 0.1772E+00 0.1796E+00 S2,gas 0.9506E-12 1.0000 0.3319E-11 0.3319E-11 CO,gas 0.3249E-08 1.0000 0.1134E-07 0.1134E-07 SO3,gas 0.1121E-30 1.0000 0.3912E-30 0.3912E-30 SO2,gas 0.8219E-13 1.0000 0.2869E-12 0.2869E-12 HF,gas 0.7125E-09 1.0000 0.2488E-08 0.2488E-08 HCl,gas 0.2147E-12 1.0000 0.7494E-12 0.7494E-12 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 101 kaolinite -1.33 -1.33 0.00 0.000 -0.64453E-11 145 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 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 -1.697 0.28969E+04 0.002 2 CO2,gas -6.66 -8.01 -1.35 -0.448 0.22971E+04 0.354 3 CH4,gas 4.54 -1.70 -6.24 -1.561 0.10663E+05 -4.546 4 H2,gas 8.00 1.58 -6.42 -3.671 0.10969E+05 -4.725 5 H2S,gas -6.23 -8.68 -2.45 -1.225 0.41843E+04 -0.752 6 S2,gas -7.34 -20.51 -13.18 -2.027 0.22501E+05 -11.479 7 CO,gas 3.21 -6.43 -9.64 -2.967 0.16467E+05 -7.945 8 SO3,gas 17.12 -14.99 -32.11 -8.027 0.54821E+05 -30.408 9 SO2,gas 0.83 -13.41 -14.24 -3.798 0.24316E+05 -12.542 10 HF,gas 0.47 -9.83 -10.30 -5.152 0.17592E+05 -8.604 11 HCl,gas 5.19 -8.63 -13.82 -6.912 0.23605E+05 -12.125 16 albite-high 0.69 -2.38 -3.07 -0.236 0.52394E+04 17 albite -0.38 -2.38 -1.99 -0.153 0.34006E+04 21 analcite 3.32 0.61 -2.71 -0.301 0.46240E+04 22 andalusite 5.00 1.66 -3.34 -0.334 0.57105E+04 25 anhydrite -5.32 -10.04 -4.72 -2.362 0.80654E+04 38 aragonite 0.97 -3.06 -4.03 -1.342 0.68763E+04 40 calcite 0.81 -3.06 -3.87 -1.291 0.66121E+04 57 coesite -2.38 -2.99 -0.61 -0.204 0.10473E+04 62 corundum 8.38 4.65 -3.74 -0.340 0.63801E+04 64 cristobalite -2.56 -2.99 -0.43 -0.143 0.73267E+03 68 diaspore 2.87 2.32 -0.55 -0.092 0.94003E+03 69 diamond -3.10 -4.85 -1.75 -0.500 0.29894E+04 86 gibbsite 4.08 2.32 -1.76 -0.251 0.29989E+04 89 graphite -3.55 -4.85 -1.31 -0.373 0.22316E+04 98 jadeite 4.22 0.61 -3.60 -0.360 0.61491E+04 102 kyanite 4.88 1.66 -3.22 -0.322 0.54964E+04 119 microcline -2.49 -4.53 -2.05 -0.157 0.34948E+04 123 muscovite 2.58 0.11 -2.47 -0.145 0.42164E+04 124 paragonite 4.24 2.27 -1.97 -0.116 0.33613E+04 125 nepheline 8.34 3.60 -4.74 -0.677 0.80867E+04 147 pyrrhotiteFe0.875 -6.02 -10.90 -4.88 -1.795 0.83324E+04 149 pyrophyllite -6.18 -7.31 -1.14 -0.071 0.19390E+04 154 rhodochrosite -0.98 -4.97 -3.99 -1.331 0.68193E+04 156 sanidine -1.28 -4.53 -3.26 -0.251 0.55626E+04 159 sillimanite 5.26 1.66 -3.60 -0.360 0.61545E+04 166 stilbite -7.52 -11.34 -3.81 -0.182 0.65126E+04 172 sulfur -9.15 -10.26 -1.10 -0.340 0.18857E+04 180 topaz-H 4.62 1.66 -2.96 -0.269 0.50569E+04 181 tridymite -2.63 -2.99 -0.36 -0.121 0.61998E+03 196 beidellite-Ca -1.65 -4.74 -3.10 -0.192 0.52876E+04 197 beidellite-H -2.33 -5.56 -3.23 -0.206 0.55186E+04 198 beidellite-K -1.52 -4.86 -3.34 -0.205 0.57049E+04 199 beidellite-Mg -1.79 -5.29 -3.50 -0.217 0.59825E+04 200 beidellite-Na -1.34 -4.15 -2.81 -0.172 0.47929E+04 202 chalcedony -2.80 -2.99 -0.19 -0.062 0.31930E+03 203 dawsonite 1.68 -1.41 -3.09 -0.387 0.52841E+04 204 montmorillonite-Ca -2.29 -6.73 -4.44 -0.275 0.75845E+04 205 montmorillonite-K -2.24 -6.85 -4.61 -0.283 0.78799E+04 206 montmorillonite-Mg -2.48 -7.28 -4.80 -0.297 0.82026E+04 207 montmorillonite-Na -2.04 -6.14 -4.10 -0.251 0.70038E+04 214 topaz -16.55 -18.00 -1.46 -0.162 0.24860E+04 234 alabandite -0.98 -5.65 -4.67 -1.556 0.79694E+04 237 boehmite 4.41 2.32 -2.08 -0.347 0.35569E+04 240 fluorite -9.93 -14.71 -4.78 -1.595 0.81682E+04 245 silica-amorphous -2.09 -2.99 -0.90 -0.299 0.15335E+04 247 an20ab80 2.02 -1.18 -3.20 -0.246 0.54565E+04 248 an25ab75 2.65 -0.88 -3.52 -0.271 0.60174E+04 249 an30ab70 3.28 -0.58 -3.86 -0.297 0.65880E+04 Calculations done for 100.0000 Deg. C; 50.0000 bar Next reactant titration increment of: 0.0200000 MOLES Current total amount of reactant added: 0.4199900 MOLES New total amount of reactant added: 0.4399900 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 = 7 Loop limit = 400 Temperature = 100.00 C Pressure = 50.00 bar Mixer fraction = 0.4399900 Water: Moles liquid = 0.5025E+02 kg liquid = 0.9053E+00 Moles total = 0.5021E+02 kg total = 0.9045E+00 Activity = 0.9995 Stoichiometric ionic strength = .3971952E-01 Osmotic coef. = 0.8960 True ionic strength = .2456935E-01 Chg. balance for total moles = -.5508E-08 Max. difference allowed = 0.2734E-06 Log Log Log Species(n) Molality Molality Activity Activity Gamma Gamma 1 H+ 0.13129E-05 -5.8818 0.10883E-05 -5.9632 0.82896E+00 -0.0815 2 H2O 0.99946E+00 -0.0002 0.99946E+00 -0.0002 3 Cl- 0.30050E-02 -2.5222 0.24735E-02 -2.6067 0.82312E+00 -0.0845 4 SO4-- 0.22999E-02 -2.6383 0.11297E-02 -2.9470 0.49122E+00 -0.3087 5 HCO3- 0.11953E-01 -1.9225 0.98553E-02 -2.0063 0.82454E+00 -0.0838 6 HS- 0.25079E-02 -2.6007 0.20646E-02 -2.6852 0.82326E+00 -0.0845 7 Al+++ 0.13347E-14 -14.8746 0.27160E-15 -15.5661 0.20349E+00 -0.6915 8 H4SiO4 0.10235E-02 -2.9899 0.10235E-02 -2.9899 0.10000E+01 0.0000 9 Ca++ 0.17259E-06 -6.7630 0.84048E-07 -7.0755 0.48698E+00 -0.3125 10 Mg++ 0.79723E-10 -10.0984 0.38615E-10 -10.4132 0.48437E+00 -0.3148 11 Fe++ 0.98555E-14 -14.0063 0.47799E-14 -14.3206 0.48499E+00 -0.3143 12 K+ 0.15331E-03 -3.8144 0.12644E-03 -3.8981 0.82476E+00 -0.0837 13 Na+ 0.22112E-01 -1.6554 0.18197E-01 -1.7400 0.82294E+00 -0.0846 14 Mn++ 0.21252E-08 -8.6726 0.10317E-08 -8.9864 0.48546E+00 -0.3138 15 F- 0.19267E-03 -3.7152 0.15821E-03 -3.8008 0.82114E+00 -0.0856 16 HPO4-- 0.35494E-08 -8.4498 0.17438E-08 -8.7585 0.49130E+00 -0.3087 18 HSiO3- 0.10674E-05 -5.9717 0.87860E-06 -6.0562 0.82312E+00 -0.0845 19 Ca(HSiO3)+ 0.20385E-11 -11.6907 0.16817E-11 -11.7742 0.82497E+00 -0.0836 20 Mg(HSiO3)+ 0.11656E-14 -14.9334 0.96158E-15 -15.0170 0.82497E+00 -0.0836 21 NaHSiO3,aq 0.25859E-06 -6.5874 0.25859E-06 -6.5874 0.10000E+01 0.0000 22 AlO+ 0.37793E-10 -10.4226 0.31178E-10 -10.5062 0.82497E+00 -0.0836 23 AlOH+2 0.34764E-12 -12.4589 0.16896E-12 -12.7722 0.48602E+00 -0.3133 24 HAlO2,aq 0.57019E-08 -8.2440 0.57019E-08 -8.2440 0.10000E+01 0.0000 25 AlO2- 0.14119E-07 -7.8502 0.11597E-07 -7.9356 0.82139E+00 -0.0855 26 CH4,aq 0.17691E-07 -7.7522 0.17486E-07 -7.7573 0.98841E+00 -0.0051 27 C2H6,aq 0.38575E-17 -17.4137 0.38128E-17 -17.4188 0.98841E+00 -0.0051 31 CO,aq 0.79017E-11 -11.1023 0.79017E-11 -11.1023 0.10000E+01 0.0000 32 CO2,aq 0.23200E-01 -1.6345 0.22931E-01 -1.6396 0.98841E+00 -0.0051 33 CO3-2 0.16142E-05 -5.7920 0.79095E-06 -6.1018 0.49000E+00 -0.3098 34 CaCO3,aq 0.83356E-09 -9.0791 0.83356E-09 -9.0791 0.10000E+01 0.0000 35 Ca(HCO3)+ 0.25630E-07 -7.5913 0.21144E-07 -7.6748 0.82497E+00 -0.0836 36 CaCl+ 0.40781E-09 -9.3895 0.33643E-09 -9.4731 0.82497E+00 -0.0836 37 CaCl2,aq 0.19770E-12 -12.7040 0.19770E-12 -12.7040 0.10000E+01 0.0000 38 CaF+ 0.23533E-09 -9.6283 0.19414E-09 -9.7119 0.82497E+00 -0.0836 39 CaOH+ 0.66680E-11 -11.1760 0.55009E-11 -11.2596 0.82497E+00 -0.0836 40 CaSO4,aq 0.30152E-07 -7.5207 0.30152E-07 -7.5207 0.10000E+01 0.0000 41 HCl,aq 0.49329E-09 -9.3069 0.49329E-09 -9.3069 0.10000E+01 0.0000 45 HF,aq 0.11787E-05 -5.9286 0.11787E-05 -5.9286 0.10000E+01 0.0000 46 HF2- 0.76492E-10 -10.1164 0.62962E-10 -10.2009 0.82312E+00 -0.0845 48 FeCl+ 0.22684E-16 -16.6443 0.18713E-16 -16.7278 0.82497E+00 -0.0836 51 FeF+ 0.46843E-16 -16.3294 0.38644E-16 -16.4129 0.82497E+00 -0.0836 53 FeO,aq 0.15675E-18 -18.8048 0.15675E-18 -18.8048 0.10000E+01 0.0000 54 FeOH+ 0.17320E-15 -15.7615 0.14288E-15 -15.8450 0.82497E+00 -0.0836 59 HFeO2,aq 0.69563E-19 -19.1576 0.69563E-19 -19.1576 0.10000E+01 0.0000 60 H2,aq 0.13870E-07 -7.8579 0.13710E-07 -7.8630 0.98841E+00 -0.0051 61 KCl,aq 0.56684E-08 -8.2465 0.56684E-08 -8.2465 0.10000E+01 0.0000 62 KHSO4,aq 0.43957E-12 -12.3570 0.43957E-12 -12.3570 0.10000E+01 0.0000 63 KOH,aq 0.49588E-10 -10.3046 0.49588E-10 -10.3046 0.10000E+01 0.0000 64 KSO4- 0.26930E-05 -5.5698 0.22167E-05 -5.6543 0.82312E+00 -0.0845 65 MgCO3,aq 0.95995E-13 -13.0177 0.95995E-13 -13.0177 0.10000E+01 0.0000 66 Mg(HCO3)+ 0.12032E-10 -10.9196 0.99263E-11 -11.0032 0.82497E+00 -0.0836 67 MgCl+ 0.16982E-12 -12.7700 0.14009E-12 -12.8536 0.82497E+00 -0.0836 68 MgF+ 0.40052E-12 -12.3974 0.33041E-12 -12.4809 0.82497E+00 -0.0836 69 MgOH+ 0.16952E-13 -13.7708 0.13985E-13 -13.8543 0.82497E+00 -0.0836 71 MnF+ 0.33327E-11 -11.4772 0.27493E-11 -11.5608 0.82497E+00 -0.0836 72 MnO,aq 0.90155E-15 -15.0450 0.90155E-15 -15.0450 0.10000E+01 0.0000 73 MnOH+ 0.34729E-11 -11.4593 0.28650E-11 -11.5429 0.82497E+00 -0.0836 78 MnCl+ 0.19049E-10 -10.7201 0.15715E-10 -10.8037 0.82497E+00 -0.0836 79 MnSO4,aq 0.33650E-09 -9.4730 0.33650E-09 -9.4730 0.10000E+01 0.0000 80 NaCl,aq 0.14916E-04 -4.8263 0.14916E-04 -4.8263 0.10000E+01 0.0000 81 NaF,aq 0.67402E-06 -6.1713 0.67402E-06 -6.1713 0.10000E+01 0.0000 82 NaOH,aq 0.71799E-08 -8.1439 0.71799E-08 -8.1439 0.10000E+01 0.0000 84 OH- 0.64597E-06 -6.1898 0.53059E-06 -6.2752 0.82139E+00 -0.0855 89 HPO3-2 0.15213E-18 -18.8178 0.74543E-19 -19.1276 0.49000E+00 -0.3098 91 H2PO3- 0.19764E-18 -18.7041 0.16269E-18 -18.7887 0.82312E+00 -0.0845 92 H3PO4,aq 0.14446E-10 -10.8402 0.14446E-10 -10.8402 0.10000E+01 0.0000 93 H2PO4- 0.42487E-07 -7.3717 0.35011E-07 -7.4558 0.82404E+00 -0.0841 94 PO4-3 0.60651E-14 -14.2172 0.13073E-14 -14.8836 0.21554E+00 -0.6665 96 H3P2O7- 0.39234E-19 -19.4063 0.32294E-19 -19.4909 0.82312E+00 -0.0845 97 H2P2O7-2 0.19625E-15 -15.7072 0.96163E-16 -16.0170 0.49000E+00 -0.3098 98 HP2O7-3 0.86592E-16 -16.0625 0.17643E-16 -16.7534 0.20375E+00 -0.6909 99 P2O7-4 0.62599E-19 -19.2034 0.38727E-20 -20.4120 0.61865E-01 -1.2086 100 H2S,aq 0.70262E-02 -2.1533 0.69447E-02 -2.1583 0.98841E+00 -0.0051 101 S2-2 0.14061E-07 -7.8520 0.68897E-08 -8.1618 0.49000E+00 -0.3098 102 S3-2 0.95960E-08 -8.0179 0.47020E-08 -8.3277 0.49000E+00 -0.3098 103 S3- 0.35592E-07 -7.4486 0.29297E-07 -7.5332 0.82312E+00 -0.0845 104 S4-2 0.43261E-08 -8.3639 0.21198E-08 -8.6737 0.49000E+00 -0.3098 105 S5-2 0.13005E-08 -8.8859 0.63723E-09 -9.1957 0.49000E+00 -0.3098 106 SO2,aq 0.82020E-13 -13.0861 0.82020E-13 -13.0861 0.10000E+01 0.0000 107 SO3-2 0.40412E-11 -11.3935 0.20138E-11 -11.6960 0.49831E+00 -0.3025 108 HSO3- 0.16671E-09 -9.7780 0.13723E-09 -9.8626 0.82312E+00 -0.0845 109 HSO4- 0.14347E-05 -5.8432 0.11849E-05 -5.9263 0.82592E+00 -0.0831 111 S2O3-2 0.18819E-06 -6.7254 0.92213E-07 -7.0352 0.49000E+00 -0.3098 112 HS2O3- 0.21800E-10 -10.6615 0.17944E-10 -10.7461 0.82312E+00 -0.0845 113 H2S2O3,aq 0.31308E-15 -15.5043 0.31308E-15 -15.5043 0.10000E+01 0.0000 121 S4O6-2 0.31818E-18 -18.4973 0.15591E-18 -18.8071 0.49000E+00 -0.3098 Charge balance for all species = -.6084E-08 Component Molality Aq.molality ppm log[A(N)/A(H+)**Z] (total) 1 H+ 0.1312895E-05 0.3022699E-01 0.3037537E+02 0.0000 2 H2O 0.1000000E+01 0.5548505E+02 0.9965741E+06 0.0000 3 Cl- 0.3004970E-02 0.3019893E-02 0.1067423E+03 3.3565 4 SO4-- 0.2299874E-02 0.2304234E-02 0.2206828E+03 8.9795 5 HCO3- 0.1195260E-01 0.3515445E-01 0.2138576E+04 3.9569 6 HS- 0.2507879E-02 0.9534412E-02 0.3143739E+03 3.2781 7 Al+++ 0.1334722E-14 0.1985909E-07 0.5342167E-03 2.3236 8 H4SiO4 0.1023510E-02 0.1024836E-02 0.9820635E+02 -2.9899 9 Ca++ 0.1725900E-06 0.2298574E-06 0.9184524E-02 4.8510 10 Mg++ 0.7972310E-10 0.9243992E-10 0.2240641E-05 1.5132 11 Fe++ 0.9855540E-14 0.1009850E-13 0.5622749E-09 -2.3941 12 K+ 0.1533090E-03 0.1560077E-03 0.6081869E+01 2.0651 13 Na+ 0.2211246E-01 0.2212832E-01 0.5071959E+03 4.2232 14 Mn++ 0.2125232E-08 0.2487582E-08 0.1362519E-03 2.9400 15 F- 0.1926696E-03 0.1945227E-03 0.3684430E+01 2.1625 16 HPO4-- 0.3549387E-08 0.4605045E-07 0.4406586E-02 3.1680 Component Tot moles Aq. moles Solid moles Gas moles 1 H+ 0.2734938E-01 0.2736365E-01 -.1426397E-04 0.0000000E+00 2 H2O 0.5020663E+02 0.5022907E+02 -.2243867E-01 0.0000000E+00 3 Cl- 0.2733825E-02 0.2733825E-02 0.0000000E+00 0.0000000E+00 4 SO4-- 0.2085967E-02 0.2085959E-02 0.8148065E-08 0.0000000E+00 5 HCO3- 0.3182435E-01 0.3182435E-01 0.0000000E+00 0.0000000E+00 6 HS- 0.8631294E-02 0.8631237E-02 0.5703646E-07 0.0000000E+00 7 Al+++ 0.4775352E-05 0.1797788E-07 0.4757374E-05 0.0000000E+00 8 H4SiO4 0.1215302E-01 0.9277557E-03 0.1122526E-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 0.9141888E-14 0.3259226E-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- 0.1760960E-03 0.1760960E-03 0.0000000E+00 0.0000000E+00 16 HPO4-- 0.4168819E-07 0.4168819E-07 0.0000000E+00 0.0000000E+00 Chg. balance for solid moles: -.1191E-20 Mass of aqueous solution: 0.908002E+03 g Temperature = 100.00 C Pressure = 50.00 bar Mixer frac. = 0.4399900 Log Log Vol Gas or mineral Moles Moles Grams Grams Wt.% (cm3) kaolinite 0.2379E-05 -5.624 0.6141E-03 -3.212 0.9101E-01 0.2363E-03 pyrite 0.3259E-07 -7.487 0.3910E-05 -5.408 0.5795E-03 0.7802E-06 quartz 0.1122E-01 -1.950 0.6741 -0.171 99.91 0.2546 Partial press. Fugacity coef Log fugacity Gas or Mineral Mole fraction or activity Activity coef Log activity kaolinite 0.1000E+01 0.1000E+01 1.0000 0.000 pyrite 0.1000E+01 0.1000E+01 1.0000 0.000 quartz 0.1000E+01 0.1000E+01 1.0000 0.000 Solid products produced: Mass = 0.674746 g Volume = 0.254817 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: 0.4399900 moles log = -0.3566 Original solution: 1000.0103000 g Original solution / Rock added: 2272.80 (Water/Rock Ratio), log = 3.3566 Gas composition at saturation ( 2 iterations) ------------------------------------------------- Temperature: 100.0000 deg.C Sat. pressure: 3.7056 bar Gas Mole fraction phi Fugacity Partial P(bar) H2O,gas 0.2805E+00 0.9672 0.1005E+01 0.1039E+01 CO2,gas 0.6672E+00 0.9923 0.2453E+01 0.2472E+01 CH4,gas 0.6895E-05 1.0074 0.2574E-04 0.2555E-04 H2,gas 0.4848E-05 1.0020 0.1800E-04 0.1796E-04 H2S,gas 0.5227E-01 0.9857 0.1909E+00 0.1937E+00 S2,gas 0.1140E-11 1.0000 0.4223E-11 0.4223E-11 CO,gas 0.3178E-08 1.0000 0.1178E-07 0.1178E-07 SO3,gas 0.1366E-30 1.0000 0.5062E-30 0.5062E-30 SO2,gas 0.9572E-13 1.0000 0.3547E-12 0.3547E-12 HF,gas 0.7810E-09 1.0000 0.2894E-08 0.2894E-08 HCl,gas 0.2349E-12 1.0000 0.8704E-12 0.8704E-12 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 101 kaolinite -1.33 -1.33 0.00 0.000 0.56870E-11 145 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 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 -1.697 0.28969E+04 0.002 2 CO2,gas -6.66 -7.97 -1.31 -0.436 0.22354E+04 0.390 3 CH4,gas 4.54 -1.74 -6.29 -1.572 0.10737E+05 -4.589 4 H2,gas 8.00 1.56 -6.44 -3.682 0.11002E+05 -4.745 5 H2S,gas -6.23 -8.65 -2.42 -1.209 0.41289E+04 -0.719 6 S2,gas -7.34 -20.41 -13.07 -2.011 0.22322E+05 -11.374 7 CO,gas 3.21 -6.41 -9.63 -2.962 0.16440E+05 -7.929 8 SO3,gas 17.12 -14.87 -31.99 -7.999 0.54630E+05 -30.296 9 SO2,gas 0.83 -13.32 -14.15 -3.773 0.24159E+05 -12.450 10 HF,gas 0.47 -9.76 -10.24 -5.119 0.17480E+05 -8.538 11 HCl,gas 5.19 -8.57 -13.76 -6.880 0.23494E+05 -12.060 16 albite-high 0.69 -2.42 -3.11 -0.240 0.53187E+04 17 albite -0.38 -2.42 -2.04 -0.157 0.34799E+04 21 analcite 3.32 0.57 -2.75 -0.306 0.47033E+04 22 andalusite 5.00 1.66 -3.34 -0.334 0.57104E+04 25 anhydrite -5.32 -10.02 -4.71 -2.353 0.80348E+04 38 aragonite 0.97 -3.12 -4.09 -1.362 0.69752E+04 40 calcite 0.81 -3.12 -3.93 -1.310 0.67109E+04 57 coesite -2.38 -2.99 -0.61 -0.204 0.10473E+04 62 corundum 8.38 4.65 -3.74 -0.340 0.63800E+04 64 cristobalite -2.56 -2.99 -0.43 -0.143 0.73267E+03 68 diaspore 2.87 2.32 -0.55 -0.092 0.94001E+03 69 diamond -3.10 -4.86 -1.75 -0.501 0.29956E+04 86 gibbsite 4.08 2.32 -1.76 -0.251 0.29990E+04 89 graphite -3.55 -4.86 -1.31 -0.374 0.22378E+04 98 jadeite 4.22 0.57 -3.65 -0.365 0.62284E+04 102 kyanite 4.88 1.66 -3.22 -0.322 0.54963E+04 119 microcline -2.49 -4.58 -2.09 -0.161 0.35746E+04 123 muscovite 2.58 0.07 -2.52 -0.148 0.42962E+04 124 paragonite 4.24 2.22 -2.01 -0.119 0.34405E+04 125 nepheline 8.34 3.56 -4.78 -0.683 0.81660E+04 147 pyrrhotiteFe0.875 -6.02 -10.94 -4.92 -1.809 0.83995E+04 149 pyrophyllite -6.18 -7.31 -1.14 -0.071 0.19390E+04 154 rhodochrosite -0.98 -5.03 -4.05 -1.351 0.69207E+04 156 sanidine -1.28 -4.58 -3.30 -0.254 0.56424E+04 159 sillimanite 5.26 1.66 -3.60 -0.360 0.61544E+04 166 stilbite -7.52 -11.43 -3.91 -0.186 0.66733E+04 172 sulfur -9.15 -10.20 -1.05 -0.324 0.17964E+04 180 topaz-H 4.62 1.66 -2.96 -0.269 0.50568E+04 181 tridymite -2.63 -2.99 -0.36 -0.121 0.61998E+03 196 beidellite-Ca -1.65 -4.76 -3.11 -0.193 0.53140E+04 197 beidellite-H -2.33 -5.56 -3.23 -0.206 0.55186E+04 198 beidellite-K -1.52 -4.88 -3.36 -0.206 0.57312E+04 199 beidellite-Mg -1.79 -5.31 -3.52 -0.218 0.60082E+04 200 beidellite-Na -1.34 -4.16 -2.82 -0.173 0.48191E+04 202 chalcedony -2.80 -2.99 -0.19 -0.062 0.31930E+03 203 dawsonite 1.68 -1.42 -3.10 -0.388 0.53016E+04 204 montmorillonite-Ca -2.29 -6.78 -4.49 -0.278 0.76626E+04 205 montmorillonite-K -2.24 -6.90 -4.66 -0.285 0.79579E+04 206 montmorillonite-Mg -2.48 -7.33 -4.85 -0.300 0.82800E+04 207 montmorillonite-Na -2.04 -6.19 -4.15 -0.254 0.70815E+04 214 topaz -16.55 -17.87 -1.32 -0.147 0.22613E+04 234 alabandite -0.98 -5.71 -4.73 -1.577 0.80772E+04 237 boehmite 4.41 2.32 -2.08 -0.347 0.35569E+04 240 fluorite -9.93 -14.68 -4.75 -1.582 0.81042E+04 245 silica-amorphous -2.09 -2.99 -0.90 -0.299 0.15335E+04 247 an20ab80 2.02 -1.23 -3.25 -0.250 0.55520E+04 248 an25ab75 2.65 -0.94 -3.58 -0.276 0.61170E+04 249 an30ab70 3.28 -0.64 -3.92 -0.301 0.66916E+04 Calculations done for 100.0000 Deg. C; 50.0000 bar Next reactant titration increment of: 0.0200000 MOLES Current total amount of reactant added: 0.4399900 MOLES New total amount of reactant added: 0.4599900 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 = 7 Loop limit = 400 Temperature = 100.00 C Pressure = 50.00 bar Mixer fraction = 0.4599900 Water: Moles liquid = 0.5027E+02 kg liquid = 0.9056E+00 Moles total = 0.5022E+02 kg total = 0.9048E+00 Activity = 0.9994 Stoichiometric ionic strength = .4100161E-01 Osmotic coef. = 0.8949 True ionic strength = .2466483E-01 Chg. balance for total moles = -.5508E-08 Max. difference allowed = 0.2852E-06 Log Log Log Species(n) Molality Molality Activity Activity Gamma Gamma 1 H+ 0.14522E-05 -5.8380 0.12035E-05 -5.9196 0.82872E+00 -0.0816 2 H2O 0.99941E+00 -0.0003 0.99941E+00 -0.0003 3 Cl- 0.31336E-02 -2.5040 0.25785E-02 -2.5886 0.82286E+00 -0.0847 4 SO4-- 0.24041E-02 -2.6190 0.11796E-02 -2.9282 0.49067E+00 -0.3092 5 HCO3- 0.11676E-01 -1.9327 0.96239E-02 -2.0166 0.82428E+00 -0.0839 6 HS- 0.24308E-02 -2.6142 0.20006E-02 -2.6988 0.82301E+00 -0.0846 7 Al+++ 0.18093E-14 -14.7425 0.36726E-15 -15.4350 0.20298E+00 -0.6926 8 H4SiO4 0.10234E-02 -2.9899 0.10234E-02 -2.9899 0.10000E+01 0.0000 9 Ca++ 0.17208E-06 -6.7643 0.83703E-07 -7.0773 0.48643E+00 -0.3130 10 Mg++ 0.79938E-10 -10.0972 0.38675E-10 -10.4126 0.48381E+00 -0.3153 11 Fe++ 0.10058E-13 -13.9975 0.48724E-14 -14.3123 0.48443E+00 -0.3148 12 K+ 0.15314E-03 -3.8149 0.12626E-03 -3.8987 0.82451E+00 -0.0838 13 Na+ 0.22104E-01 -1.6555 0.18184E-01 -1.7403 0.82268E+00 -0.0848 14 Mn++ 0.21117E-08 -8.6754 0.10240E-08 -8.9897 0.48490E+00 -0.3143 15 F- 0.20122E-03 -3.6963 0.16518E-03 -3.7820 0.82088E+00 -0.0857 16 HPO4-- 0.32349E-08 -8.4901 0.15875E-08 -8.7993 0.49076E+00 -0.3091 18 HSiO3- 0.96556E-06 -6.0152 0.79453E-06 -6.0999 0.82286E+00 -0.0847 19 Ca(HSiO3)+ 0.18365E-11 -11.7360 0.15146E-11 -11.8197 0.82471E+00 -0.0837 20 Mg(HSiO3)+ 0.10560E-14 -14.9763 0.87090E-15 -15.0600 0.82471E+00 -0.0837 21 NaHSiO3,aq 0.23368E-06 -6.6314 0.23368E-06 -6.6314 0.10000E+01 0.0000 22 AlO+ 0.41805E-10 -10.3788 0.34478E-10 -10.4625 0.82471E+00 -0.0837 23 AlOH+2 0.42558E-12 -12.3710 0.20660E-12 -12.6849 0.48546E+00 -0.3138 24 HAlO2,aq 0.57020E-08 -8.2440 0.57020E-08 -8.2440 0.10000E+01 0.0000 25 AlO2- 0.12773E-07 -7.8937 0.10488E-07 -7.9793 0.82112E+00 -0.0856 26 CH4,aq 0.16037E-07 -7.7949 0.15845E-07 -7.8001 0.98806E+00 -0.0052 27 C2H6,aq 0.33107E-17 -17.4801 0.32711E-17 -17.4853 0.98806E+00 -0.0052 31 CO,aq 0.81668E-11 -11.0879 0.81668E-11 -11.0879 0.10000E+01 0.0000 32 CO2,aq 0.25062E-01 -1.6010 0.24762E-01 -1.6062 0.98806E+00 -0.0052 33 CO3-2 0.14271E-05 -5.8455 0.69850E-06 -6.1558 0.48945E+00 -0.3103 34 CaCO3,aq 0.73311E-09 -9.1348 0.73311E-09 -9.1348 0.10000E+01 0.0000 35 Ca(HCO3)+ 0.24933E-07 -7.6032 0.20563E-07 -7.6869 0.82471E+00 -0.0837 36 CaCl+ 0.42351E-09 -9.3731 0.34928E-09 -9.4568 0.82471E+00 -0.0837 37 CaCl2,aq 0.21397E-12 -12.6697 0.21397E-12 -12.6697 0.10000E+01 0.0000 38 CaF+ 0.24476E-09 -9.6113 0.20186E-09 -9.6949 0.82471E+00 -0.0837 39 CaOH+ 0.60070E-11 -11.2213 0.49541E-11 -11.3050 0.82471E+00 -0.0837 40 CaSO4,aq 0.31354E-07 -7.5037 0.31354E-07 -7.5037 0.10000E+01 0.0000 41 HCl,aq 0.56863E-09 -9.2452 0.56863E-09 -9.2452 0.10000E+01 0.0000 45 HF,aq 0.13608E-05 -5.8662 0.13608E-05 -5.8662 0.10000E+01 0.0000 46 HF2- 0.92228E-10 -10.0351 0.75891E-10 -10.1198 0.82286E+00 -0.0847 48 FeCl+ 0.24112E-16 -16.6178 0.19886E-16 -16.7015 0.82471E+00 -0.0837 51 FeF+ 0.49869E-16 -16.3022 0.41127E-16 -16.3859 0.82471E+00 -0.0837 53 FeO,aq 0.13068E-18 -18.8838 0.13068E-18 -18.8838 0.10000E+01 0.0000 54 FeOH+ 0.15971E-15 -15.7967 0.13171E-15 -15.8804 0.82471E+00 -0.0837 59 HFeO2,aq 0.59274E-19 -19.2271 0.59274E-19 -19.2271 0.10000E+01 0.0000 60 H2,aq 0.13280E-07 -7.8768 0.13121E-07 -7.8820 0.98806E+00 -0.0052 61 KCl,aq 0.59006E-08 -8.2291 0.59006E-08 -8.2291 0.10000E+01 0.0000 62 KHSO4,aq 0.50680E-12 -12.2952 0.50680E-12 -12.2952 0.10000E+01 0.0000 63 KOH,aq 0.44779E-10 -10.3489 0.44779E-10 -10.3489 0.10000E+01 0.0000 64 KSO4- 0.28088E-05 -5.5515 0.23113E-05 -5.6362 0.82286E+00 -0.0847 65 MgCO3,aq 0.84904E-13 -13.0711 0.84904E-13 -13.0711 0.10000E+01 0.0000 66 Mg(HCO3)+ 0.11771E-10 -10.9292 0.97081E-11 -11.0129 0.82471E+00 -0.0837 67 MgCl+ 0.17736E-12 -12.7512 0.14627E-12 -12.8349 0.82471E+00 -0.0837 68 MgF+ 0.41893E-12 -12.3779 0.34550E-12 -12.4616 0.82471E+00 -0.0837 69 MgOH+ 0.15358E-13 -13.8137 0.12666E-13 -13.8974 0.82471E+00 -0.0837 71 MnF+ 0.34544E-11 -11.4616 0.28489E-11 -11.5453 0.82471E+00 -0.0837 72 MnO,aq 0.73176E-15 -15.1356 0.73176E-15 -15.1356 0.10000E+01 0.0000 73 MnOH+ 0.31179E-11 -11.5061 0.25714E-11 -11.5898 0.82471E+00 -0.0837 78 MnCl+ 0.19714E-10 -10.7052 0.16259E-10 -10.7889 0.82471E+00 -0.0837 79 MnSO4,aq 0.34872E-09 -9.4575 0.34872E-09 -9.4575 0.10000E+01 0.0000 80 NaCl,aq 0.15539E-04 -4.8086 0.15539E-04 -4.8086 0.10000E+01 0.0000 81 NaF,aq 0.70322E-06 -6.1529 0.70322E-06 -6.1529 0.10000E+01 0.0000 82 NaOH,aq 0.64883E-08 -8.1879 0.64883E-08 -8.1879 0.10000E+01 0.0000 84 OH- 0.58434E-06 -6.2333 0.47982E-06 -6.3189 0.82112E+00 -0.0856 89 HPO3-2 0.13270E-18 -18.8771 0.64952E-19 -19.1874 0.48945E+00 -0.3103 91 H2PO3- 0.19049E-18 -18.7201 0.15675E-18 -18.8048 0.82286E+00 -0.0847 92 H3PO4,aq 0.16081E-10 -10.7937 0.16081E-10 -10.7937 0.10000E+01 0.0000 93 H2PO4- 0.42783E-07 -7.3687 0.35244E-07 -7.4529 0.82378E+00 -0.0842 94 PO4-3 0.50051E-14 -14.3006 0.10763E-14 -14.9681 0.21504E+00 -0.6675 96 H3P2O7- 0.43979E-19 -19.3568 0.36189E-19 -19.4414 0.82286E+00 -0.0847 97 H2P2O7-2 0.19911E-15 -15.7009 0.97452E-16 -16.0112 0.48945E+00 -0.3103 98 HP2O7-3 0.79559E-16 -16.0993 0.16169E-16 -16.7913 0.20324E+00 -0.6920 99 P2O7-4 0.52108E-19 -19.2831 0.32098E-20 -20.4935 0.61598E-01 -1.2104 100 H2S,aq 0.75309E-02 -2.1232 0.74410E-02 -2.1284 0.98806E+00 -0.0052 101 S2-2 0.13809E-07 -7.8598 0.67589E-08 -8.1701 0.48945E+00 -0.3103 102 S3-2 0.10551E-07 -7.9767 0.51640E-08 -8.2870 0.48945E+00 -0.3103 103 S3- 0.44196E-07 -7.3546 0.36367E-07 -7.4393 0.82286E+00 -0.0847 104 S4-2 0.53249E-08 -8.2737 0.26063E-08 -8.5840 0.48945E+00 -0.3103 105 S5-2 0.17920E-08 -8.7467 0.87710E-09 -9.0570 0.48945E+00 -0.3103 106 SO2,aq 0.10023E-12 -12.9990 0.10023E-12 -12.9990 0.10000E+01 0.0000 107 SO3-2 0.40432E-11 -11.3933 0.20126E-11 -11.6962 0.49777E+00 -0.3030 108 HSO3- 0.18429E-09 -9.7345 0.15165E-09 -9.8192 0.82286E+00 -0.0847 109 HSO4- 0.16570E-05 -5.7807 0.13681E-05 -5.8639 0.82567E+00 -0.0832 111 S2O3-2 0.21079E-06 -6.6762 0.10317E-06 -6.9864 0.48945E+00 -0.3103 112 HS2O3- 0.26979E-10 -10.5690 0.22200E-10 -10.6536 0.82286E+00 -0.0847 113 H2S2O3,aq 0.42830E-15 -15.3682 0.42830E-15 -15.3682 0.10000E+01 0.0000 121 S4O6-2 0.50941E-18 -18.2929 0.24933E-18 -18.6032 0.48945E+00 -0.3103 Charge balance for all species = -.6082E-08 Component Molality Aq.molality ppm log[A(N)/A(H+)**Z] (total) 1 H+ 0.1452183E-05 0.3259411E-01 0.3275104E+02 0.0000 2 H2O 0.1000000E+01 0.5548319E+02 0.9964470E+06 0.0000 3 Cl- 0.3133563E-02 0.3149109E-02 0.1112992E+03 3.3309 4 SO4-- 0.2404130E-02 0.2408861E-02 0.2306816E+03 8.9109 5 HCO3- 0.1167551E-01 0.3673856E-01 0.2234733E+04 3.9029 6 HS- 0.2430833E-02 0.9962192E-02 0.3284480E+03 3.2207 7 Al+++ 0.1809345E-14 0.1851715E-07 0.4980712E-03 2.3237 8 H4SiO4 0.1023423E-02 0.1024622E-02 0.9817663E+02 -2.9899 9 Ca++ 0.1720780E-06 0.2297748E-06 0.9180360E-02 4.7619 10 Mg++ 0.7993768E-10 0.9240670E-10 0.2239626E-05 1.4266 11 Fe++ 0.1005792E-13 0.1029180E-13 0.5729839E-09 -2.4731 12 K+ 0.1531369E-03 0.1559516E-03 0.6079112E+01 2.0208 13 Na+ 0.2210388E-01 0.2212037E-01 0.5069660E+03 4.1793 14 Mn++ 0.2111686E-08 0.2486688E-08 0.1361901E-03 2.8494 15 F- 0.2012223E-03 0.2032868E-03 0.3850067E+01 2.1375 16 HPO4-- 0.3234874E-08 0.4603390E-07 0.4404588E-02 3.0399 Component Tot moles Aq. moles Solid moles Gas moles 1 H+ 0.2950288E-01 0.2951715E-01 -.1426760E-04 0.0000000E+00 2 H2O 0.5022300E+02 0.5024544E+02 -.2243839E-01 0.0000000E+00 3 Cl- 0.2851825E-02 0.2851825E-02 0.0000000E+00 0.0000000E+00 4 SO4-- 0.2181467E-02 0.2181459E-02 0.8148065E-08 0.0000000E+00 5 HCO3- 0.3327035E-01 0.3327035E-01 0.0000000E+00 0.0000000E+00 6 HS- 0.9021794E-02 0.9021737E-02 0.5703646E-07 0.0000000E+00 7 Al+++ 0.4775352E-05 0.1676908E-07 0.4758583E-05 0.0000000E+00 8 H4SiO4 0.1215302E-01 0.9278955E-03 0.1122512E-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 0.9320227E-14 0.3259226E-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- 0.1840960E-03 0.1840960E-03 0.0000000E+00 0.0000000E+00 16 HPO4-- 0.4168819E-07 0.4168819E-07 0.0000000E+00 0.0000000E+00 Chg. balance for solid moles: 0.9264E-22 Mass of aqueous solution: 0.908414E+03 g Temperature = 100.00 C Pressure = 50.00 bar Mixer frac. = 0.4599900 Log Log Vol Gas or mineral Moles Moles Grams Grams Wt.% (cm3) kaolinite 0.2379E-05 -5.624 0.6142E-03 -3.212 0.9103E-01 0.2363E-03 pyrite 0.3259E-07 -7.487 0.3910E-05 -5.408 0.5795E-03 0.7802E-06 quartz 0.1122E-01 -1.950 0.6741 -0.171 99.91 0.2546 Partial press. Fugacity coef Log fugacity Gas or Mineral Mole fraction or activity Activity coef Log activity kaolinite 0.1000E+01 0.1000E+01 1.0000 0.000 pyrite 0.1000E+01 0.1000E+01 1.0000 0.000 quartz 0.1000E+01 0.1000E+01 1.0000 0.000 Solid products produced: Mass = 0.674738 g Volume = 0.254814 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: 0.4599900 moles log = -0.3373 Original solution: 1000.0103000 g Original solution / Rock added: 2173.98 (Water/Rock Ratio), log = 3.3373 Gas composition at saturation ( 2 iterations) ------------------------------------------------- Temperature: 100.0000 deg.C Sat. pressure: 3.9202 bar Gas Mole fraction phi Fugacity Partial P(bar) H2O,gas 0.2654E+00 0.9662 0.1005E+01 0.1041E+01 CO2,gas 0.6816E+00 0.9915 0.2649E+01 0.2672E+01 CH4,gas 0.5906E-05 1.0074 0.2332E-04 0.2315E-04 H2,gas 0.4385E-05 1.0021 0.1723E-04 0.1719E-04 H2S,gas 0.5298E-01 0.9849 0.2045E+00 0.2077E+00 S2,gas 0.1350E-11 1.0000 0.5292E-11 0.5292E-11 CO,gas 0.3105E-08 1.0000 0.1217E-07 0.1217E-07 SO3,gas 0.1649E-30 1.0000 0.6464E-30 0.6464E-30 SO2,gas 0.1106E-12 1.0000 0.4334E-12 0.4334E-12 HF,gas 0.8523E-09 1.0000 0.3341E-08 0.3341E-08 HCl,gas 0.2559E-12 1.0000 0.1003E-11 0.1003E-11 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 101 kaolinite -1.33 -1.33 0.00 0.000 -0.64453E-11 145 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 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 -1.697 0.28970E+04 0.002 2 CO2,gas -6.66 -7.94 -1.28 -0.425 0.21785E+04 0.423 3 CH4,gas 4.54 -1.79 -6.33 -1.583 0.10810E+05 -4.632 4 H2,gas 8.00 1.54 -6.46 -3.693 0.11035E+05 -4.764 5 H2S,gas -6.23 -8.62 -2.39 -1.194 0.40777E+04 -0.689 6 S2,gas -7.34 -20.31 -12.98 -1.996 0.22155E+05 -11.276 7 CO,gas 3.21 -6.40 -9.61 -2.958 0.16415E+05 -7.915 8 SO3,gas 17.12 -14.77 -31.89 -7.972 0.54449E+05 -30.190 9 SO2,gas 0.83 -13.23 -14.06 -3.750 0.24011E+05 -12.363 10 HF,gas 0.47 -9.70 -10.18 -5.088 0.17374E+05 -8.476 11 HCl,gas 5.19 -8.51 -13.70 -6.849 0.23388E+05 -11.999 16 albite-high 0.69 -2.47 -3.16 -0.243 0.53938E+04 17 albite -0.38 -2.47 -2.08 -0.160 0.35549E+04 21 analcite 3.32 0.52 -2.80 -0.311 0.47784E+04 22 andalusite 5.00 1.66 -3.34 -0.334 0.57104E+04 25 anhydrite -5.32 -10.01 -4.69 -2.344 0.80058E+04 38 aragonite 0.97 -3.17 -4.14 -1.380 0.70704E+04 40 calcite 0.81 -3.17 -3.99 -1.329 0.68062E+04 57 coesite -2.38 -2.99 -0.61 -0.204 0.10473E+04 62 corundum 8.38 4.65 -3.74 -0.340 0.63800E+04 64 cristobalite -2.56 -2.99 -0.43 -0.143 0.73267E+03 68 diaspore 2.87 2.32 -0.55 -0.092 0.94000E+03 69 diamond -3.10 -4.86 -1.76 -0.503 0.30036E+04 86 gibbsite 4.08 2.32 -1.76 -0.251 0.29990E+04 89 graphite -3.55 -4.86 -1.32 -0.376 0.22458E+04 98 jadeite 4.22 0.52 -3.69 -0.369 0.63035E+04 102 kyanite 4.88 1.66 -3.22 -0.322 0.54963E+04 119 microcline -2.49 -4.62 -2.14 -0.164 0.36502E+04 123 muscovite 2.58 0.02 -2.56 -0.151 0.43717E+04 124 paragonite 4.24 2.18 -2.06 -0.121 0.35156E+04 125 nepheline 8.34 3.51 -4.83 -0.689 0.82410E+04 147 pyrrhotiteFe0.875 -6.02 -10.97 -4.96 -1.823 0.84623E+04 149 pyrophyllite -6.18 -7.31 -1.14 -0.071 0.19390E+04 154 rhodochrosite -0.98 -5.09 -4.11 -1.370 0.70185E+04 156 sanidine -1.28 -4.62 -3.35 -0.258 0.57180E+04 159 sillimanite 5.26 1.66 -3.60 -0.360 0.61543E+04 166 stilbite -7.52 -11.52 -4.00 -0.190 0.68257E+04 172 sulfur -9.15 -10.16 -1.00 -0.309 0.17127E+04 180 topaz-H 4.62 1.66 -2.96 -0.269 0.50568E+04 181 tridymite -2.63 -2.99 -0.36 -0.121 0.61998E+03 196 beidellite-Ca -1.65 -4.77 -3.13 -0.193 0.53391E+04 197 beidellite-H -2.33 -5.56 -3.23 -0.206 0.55185E+04 198 beidellite-K -1.52 -4.89 -3.37 -0.206 0.57561E+04 199 beidellite-Mg -1.79 -5.32 -3.53 -0.219 0.60326E+04 200 beidellite-Na -1.34 -4.18 -2.84 -0.174 0.48438E+04 202 chalcedony -2.80 -2.99 -0.19 -0.062 0.31930E+03 203 dawsonite 1.68 -1.43 -3.12 -0.389 0.53198E+04 204 montmorillonite-Ca -2.29 -6.82 -4.53 -0.280 0.77366E+04 205 montmorillonite-K -2.24 -6.94 -4.70 -0.288 0.80317E+04 206 montmorillonite-Mg -2.48 -7.37 -4.89 -0.303 0.83532E+04 207 montmorillonite-Na -2.04 -6.23 -4.19 -0.257 0.71551E+04 214 topaz -16.55 -17.75 -1.20 -0.133 0.20482E+04 234 alabandite -0.98 -5.77 -4.79 -1.597 0.81807E+04 237 boehmite 4.41 2.32 -2.08 -0.347 0.35569E+04 240 fluorite -9.93 -14.64 -4.71 -1.570 0.80433E+04 245 silica-amorphous -2.09 -2.99 -0.90 -0.299 0.15335E+04 247 an20ab80 2.02 -1.29 -3.30 -0.254 0.56425E+04 248 an25ab75 2.65 -0.99 -3.64 -0.280 0.62114E+04 249 an30ab70 3.28 -0.70 -3.98 -0.306 0.67898E+04 Calculations done for 100.0000 Deg. C; 50.0000 bar Next reactant titration increment of: 0.0200000 MOLES Current total amount of reactant added: 0.4599900 MOLES New total amount of reactant added: 0.4799900 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 = 7 Loop limit = 400 Temperature = 100.00 C Pressure = 50.00 bar Mixer fraction = 0.4799900 Water: Moles liquid = 0.5029E+02 kg liquid = 0.9059E+00 Moles total = 0.5024E+02 kg total = 0.9051E+00 Activity = 0.9994 Stoichiometric ionic strength = .4228286E-01 Osmotic coef. = 0.8939 True ionic strength = .2476025E-01 Chg. balance for total moles = -.5508E-08 Max. difference allowed = 0.2970E-06 Log Log Log Species(n) Molality Molality Activity Activity Gamma Gamma 1 H+ 0.15986E-05 -5.7963 0.13244E-05 -5.8780 0.82848E+00 -0.0817 2 H2O 0.99937E+00 -0.0003 0.99937E+00 -0.0003 3 Cl- 0.32621E-02 -2.4865 0.26834E-02 -2.5713 0.82261E+00 -0.0848 4 SO4-- 0.25083E-02 -2.6006 0.12294E-02 -2.9103 0.49013E+00 -0.3097 5 HCO3- 0.11396E-01 -1.9432 0.93910E-02 -2.0273 0.82403E+00 -0.0841 6 HS- 0.23560E-02 -2.6278 0.19384E-02 -2.7126 0.82275E+00 -0.0847 7 Al+++ 0.24179E-14 -14.6166 0.48956E-15 -15.3102 0.20247E+00 -0.6936 8 H4SiO4 0.10233E-02 -2.9900 0.10233E-02 -2.9900 0.10000E+01 0.0000 9 Ca++ 0.17157E-06 -6.7656 0.83359E-07 -7.0790 0.48587E+00 -0.3135 10 Mg++ 0.80153E-10 -10.0961 0.38734E-10 -10.4119 0.48325E+00 -0.3158 11 Fe++ 0.10283E-13 -13.9879 0.49755E-14 -14.3032 0.48387E+00 -0.3153 12 K+ 0.15297E-03 -3.8154 0.12608E-03 -3.8993 0.82425E+00 -0.0839 13 Na+ 0.22095E-01 -1.6557 0.18172E-01 -1.7406 0.82242E+00 -0.0849 14 Mn++ 0.20983E-08 -8.6781 0.10163E-08 -8.9930 0.48435E+00 -0.3148 15 F- 0.20975E-03 -3.6783 0.17213E-03 -3.7642 0.82062E+00 -0.0859 16 HPO4-- 0.29595E-08 -8.5288 0.14508E-08 -8.8384 0.49021E+00 -0.3096 18 HSiO3- 0.87761E-06 -6.0567 0.72193E-06 -6.1415 0.82261E+00 -0.0848 19 Ca(HSiO3)+ 0.16623E-11 -11.7793 0.13705E-11 -11.8631 0.82446E+00 -0.0838 20 Mg(HSiO3)+ 0.96128E-15 -15.0171 0.79254E-15 -15.1010 0.82446E+00 -0.0838 21 NaHSiO3,aq 0.21218E-06 -6.6733 0.21218E-06 -6.6733 0.10000E+01 0.0000 22 AlO+ 0.46025E-10 -10.3370 0.37946E-10 -10.4208 0.82446E+00 -0.0838 23 AlOH+2 0.51607E-12 -12.2873 0.25024E-12 -12.6016 0.48491E+00 -0.3143 24 HAlO2,aq 0.57021E-08 -8.2440 0.57021E-08 -8.2440 0.10000E+01 0.0000 25 AlO2- 0.11610E-07 -7.9352 0.95304E-08 -8.0209 0.82086E+00 -0.0857 26 CH4,aq 0.14553E-07 -7.8370 0.14374E-07 -7.8424 0.98771E+00 -0.0054 27 C2H6,aq 0.28430E-17 -17.5462 0.28081E-17 -17.5516 0.98771E+00 -0.0054 31 CO,aq 0.84084E-11 -11.0753 0.84084E-11 -11.0753 0.10000E+01 0.0000 32 CO2,aq 0.26924E-01 -1.5699 0.26593E-01 -1.5752 0.98771E+00 -0.0054 33 CO3-2 0.12668E-05 -5.8973 0.61934E-06 -6.2081 0.48890E+00 -0.3108 34 CaCO3,aq 0.64735E-09 -9.1889 0.64735E-09 -9.1889 0.10000E+01 0.0000 35 Ca(HCO3)+ 0.24237E-07 -7.6155 0.19982E-07 -7.6994 0.82446E+00 -0.0838 36 CaCl+ 0.43907E-09 -9.3575 0.36199E-09 -9.4413 0.82446E+00 -0.0838 37 CaCl2,aq 0.23078E-12 -12.6368 0.23078E-12 -12.6368 0.10000E+01 0.0000 38 CaF+ 0.25409E-09 -9.5950 0.20948E-09 -9.6788 0.82446E+00 -0.0838 39 CaOH+ 0.54373E-11 -11.2646 0.44829E-11 -11.3484 0.82446E+00 -0.0838 40 CaSO4,aq 0.32542E-07 -7.4876 0.32542E-07 -7.4876 0.10000E+01 0.0000 41 HCl,aq 0.65124E-09 -9.1863 0.65124E-09 -9.1863 0.10000E+01 0.0000 45 HF,aq 0.15606E-05 -5.8067 0.15606E-05 -5.8067 0.10000E+01 0.0000 46 HF2- 0.11025E-09 -9.9576 0.90692E-10 -10.0424 0.82261E+00 -0.0848 48 FeCl+ 0.25632E-16 -16.5912 0.21133E-16 -16.6750 0.82446E+00 -0.0838 51 FeF+ 0.53082E-16 -16.2751 0.43764E-16 -16.3589 0.82446E+00 -0.0838 53 FeO,aq 0.11017E-18 -18.9579 0.11017E-18 -18.9579 0.10000E+01 0.0000 54 FeOH+ 0.14823E-15 -15.8291 0.12221E-15 -15.9129 0.82446E+00 -0.0838 59 HFeO2,aq 0.51038E-19 -19.2921 0.51038E-19 -19.2921 0.10000E+01 0.0000 60 H2,aq 0.12735E-07 -7.8950 0.12579E-07 -7.9004 0.98771E+00 -0.0054 61 KCl,aq 0.61319E-08 -8.2124 0.61319E-08 -8.2124 0.10000E+01 0.0000 62 KHSO4,aq 0.58043E-12 -12.2363 0.58043E-12 -12.2363 0.10000E+01 0.0000 63 KOH,aq 0.40629E-10 -10.3912 0.40629E-10 -10.3912 0.10000E+01 0.0000 64 KSO4- 0.29240E-05 -5.5340 0.24053E-05 -5.6188 0.82261E+00 -0.0848 65 MgCO3,aq 0.75398E-13 -13.1226 0.75398E-13 -13.1226 0.10000E+01 0.0000 66 Mg(HCO3)+ 0.11508E-10 -10.9390 0.94877E-11 -11.0228 0.82446E+00 -0.0838 67 MgCl+ 0.18491E-12 -12.7330 0.15245E-12 -12.8169 0.82446E+00 -0.0838 68 MgF+ 0.43735E-12 -12.3592 0.36058E-12 -12.4430 0.82446E+00 -0.0838 69 MgOH+ 0.13981E-13 -13.8545 0.11527E-13 -13.9383 0.82446E+00 -0.0838 71 MnF+ 0.35739E-11 -11.4469 0.29465E-11 -11.5307 0.82446E+00 -0.0838 72 MnO,aq 0.59965E-15 -15.2221 0.59965E-15 -15.2221 0.10000E+01 0.0000 73 MnOH+ 0.28127E-11 -11.5509 0.23190E-11 -11.6347 0.82446E+00 -0.0838 78 MnCl+ 0.20370E-10 -10.6910 0.16794E-10 -10.7748 0.82446E+00 -0.0838 79 MnSO4,aq 0.36071E-09 -9.4428 0.36071E-09 -9.4428 0.10000E+01 0.0000 80 NaCl,aq 0.16160E-04 -4.7916 0.16160E-04 -4.7916 0.10000E+01 0.0000 81 NaF,aq 0.73228E-06 -6.1353 0.73228E-06 -6.1353 0.10000E+01 0.0000 82 NaOH,aq 0.58913E-08 -8.2298 0.58913E-08 -8.2298 0.10000E+01 0.0000 84 OH- 0.53112E-06 -6.2748 0.43597E-06 -6.3605 0.82086E+00 -0.0857 89 HPO3-2 0.11639E-18 -18.9341 0.56906E-19 -19.2448 0.48890E+00 -0.3108 91 H2PO3- 0.18372E-18 -18.7358 0.15113E-18 -18.8206 0.82261E+00 -0.0848 92 H3PO4,aq 0.17798E-10 -10.7496 0.17798E-10 -10.7496 0.10000E+01 0.0000 93 H2PO4- 0.43040E-07 -7.3661 0.35445E-07 -7.4504 0.82353E+00 -0.0843 94 PO4-3 0.41658E-14 -14.3803 0.89372E-15 -15.0488 0.21454E+00 -0.6685 96 H3P2O7- 0.48971E-19 -19.3101 0.40284E-19 -19.3949 0.82261E+00 -0.0848 97 H2P2O7-2 0.20162E-15 -15.6955 0.98571E-16 -16.0063 0.48890E+00 -0.3108 98 HP2O7-3 0.73305E-16 -16.1349 0.14861E-16 -16.8280 0.20273E+00 -0.6931 99 P2O7-4 0.43706E-19 -19.3595 0.26806E-20 -20.5718 0.61332E-01 -1.2123 100 H2S,aq 0.80332E-02 -2.0951 0.79344E-02 -2.1005 0.98771E+00 -0.0054 101 S2-2 0.13538E-07 -7.8684 0.66188E-08 -8.1792 0.48890E+00 -0.3108 102 S3-2 0.11505E-07 -7.9391 0.56248E-08 -8.2499 0.48890E+00 -0.3108 103 S3- 0.54125E-07 -7.2666 0.44524E-07 -7.3514 0.82261E+00 -0.0848 104 S4-2 0.64585E-08 -8.1899 0.31576E-08 -8.5006 0.48890E+00 -0.3108 105 S5-2 0.24175E-08 -8.6166 0.11819E-08 -8.9274 0.48890E+00 -0.3108 106 SO2,aq 0.12129E-12 -12.9162 0.12129E-12 -12.9162 0.10000E+01 0.0000 107 SO3-2 0.40440E-11 -11.3932 0.20108E-11 -11.6966 0.49724E+00 -0.3034 108 HSO3- 0.20271E-09 -9.6931 0.16675E-09 -9.7779 0.82261E+00 -0.0848 109 HSO4- 0.19010E-05 -5.7210 0.15691E-05 -5.8043 0.82542E+00 -0.0833 111 S2O3-2 0.23452E-06 -6.6298 0.11466E-06 -6.9406 0.48890E+00 -0.3108 112 HS2O3- 0.33007E-10 -10.4814 0.27152E-10 -10.5662 0.82261E+00 -0.0848 113 H2S2O3,aq 0.57648E-15 -15.2392 0.57648E-15 -15.2392 0.10000E+01 0.0000 121 S4O6-2 0.79571E-18 -18.0992 0.38902E-18 -18.4100 0.48890E+00 -0.3108 Charge balance for all species = -.6080E-08 Component Molality Aq.molality ppm log[A(N)/A(H+)**Z] (total) 1 H+ 0.1598619E-05 0.3495954E-01 0.3512456E+02 0.0000 2 H2O 0.1000000E+01 0.5548133E+02 0.9963200E+06 0.0000 3 Cl- 0.3262064E-02 0.3278231E-02 0.1158519E+03 3.3067 4 SO4-- 0.2508288E-02 0.2513413E-02 0.2406713E+03 8.8456 5 HCO3- 0.1139642E-01 0.3832152E-01 0.2330803E+04 3.8507 6 HS- 0.2356017E-02 0.1038966E-01 0.3425094E+03 3.1654 7 Al+++ 0.2417943E-14 0.1735889E-07 0.4668729E-03 2.3237 8 H4SiO4 0.1023336E-02 0.1024426E-02 0.9814858E+02 -2.9900 9 Ca++ 0.1715655E-06 0.2296922E-06 0.9176200E-02 4.6769 10 Mg++ 0.8015320E-10 0.9237349E-10 0.2238611E-05 1.3440 11 Fe++ 0.1028260E-13 0.1050970E-13 0.5850607E-09 -2.5472 12 K+ 0.1529654E-03 0.1558956E-03 0.6076357E+01 1.9786 13 Na+ 0.2209531E-01 0.2211242E-01 0.5067362E+03 4.1374 14 Mn++ 0.2098332E-08 0.2485795E-08 0.1361284E-03 2.7630 15 F- 0.2097511E-03 0.2120445E-03 0.4015553E+01 2.1138 16 HPO4-- 0.2959454E-08 0.4601736E-07 0.4402592E-02 2.9175 Component Tot moles Aq. moles Solid moles Gas moles 1 H+ 0.3165638E-01 0.3167065E-01 -.1427073E-04 0.0000000E+00 2 H2O 0.5023938E+02 0.5026181E+02 -.2243807E-01 0.0000000E+00 3 Cl- 0.2969825E-02 0.2969825E-02 0.0000000E+00 0.0000000E+00 4 SO4-- 0.2276967E-02 0.2276959E-02 0.8148065E-08 0.0000000E+00 5 HCO3- 0.3471635E-01 0.3471635E-01 0.0000000E+00 0.0000000E+00 6 HS- 0.9412294E-02 0.9412237E-02 0.5703646E-07 0.0000000E+00 7 Al+++ 0.4775352E-05 0.1572582E-07 0.4759626E-05 0.0000000E+00 8 H4SiO4 0.1215302E-01 0.9280510E-03 0.1122497E-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 0.9520984E-14 0.3259226E-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- 0.1920960E-03 0.1920960E-03 0.0000000E+00 0.0000000E+00 16 HPO4-- 0.4168819E-07 0.4168819E-07 0.0000000E+00 0.0000000E+00 Chg. balance for solid moles: 0.5426E-21 Mass of aqueous solution: 0.908826E+03 g Temperature = 100.00 C Pressure = 50.00 bar Mixer frac. = 0.4799900 Log Log Vol Gas or mineral Moles Moles Grams Grams Wt.% (cm3) kaolinite 0.2380E-05 -5.623 0.6144E-03 -3.212 0.9105E-01 0.2364E-03 pyrite 0.3259E-07 -7.487 0.3910E-05 -5.408 0.5796E-03 0.7802E-06 quartz 0.1122E-01 -1.950 0.6741 -0.171 99.91 0.2546 Partial press. Fugacity coef Log fugacity Gas or Mineral Mole fraction or activity Activity coef Log activity kaolinite 0.1000E+01 0.1000E+01 1.0000 0.000 pyrite 0.1000E+01 0.1000E+01 1.0000 0.000 quartz 0.1000E+01 0.1000E+01 1.0000 0.000 Solid products produced: Mass = 0.674728 g Volume = 0.254810 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: 0.4799900 moles log = -0.3188 Original solution: 1000.0103000 g Original solution / Rock added: 2083.40 (Water/Rock Ratio), log = 3.3188 Gas composition at saturation ( 2 iterations) ------------------------------------------------- Temperature: 100.0000 deg.C Sat. pressure: 4.1349 bar Gas Mole fraction phi Fugacity Partial P(bar) H2O,gas 0.2519E+00 0.9652 0.1005E+01 0.1042E+01 CO2,gas 0.6945E+00 0.9908 0.2845E+01 0.2872E+01 CH4,gas 0.5079E-05 1.0074 0.2116E-04 0.2100E-04 H2,gas 0.3985E-05 1.0022 0.1651E-04 0.1648E-04 H2S,gas 0.5360E-01 0.9841 0.2181E+00 0.2216E+00 S2,gas 0.1583E-11 1.0000 0.6547E-11 0.6547E-11 CO,gas 0.3030E-08 1.0000 0.1253E-07 0.1253E-07 SO3,gas 0.1973E-30 1.0000 0.8159E-30 0.8159E-30 SO2,gas 0.1269E-12 1.0000 0.5245E-12 0.5245E-12 HF,gas 0.9267E-09 1.0000 0.3832E-08 0.3832E-08 HCl,gas 0.2779E-12 1.0000 0.1149E-11 0.1149E-11 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 101 kaolinite -1.33 -1.33 0.00 0.000 0.56870E-11 145 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 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 -1.697 0.28970E+04 0.002 2 CO2,gas -6.66 -7.90 -1.24 -0.415 0.21256E+04 0.454 3 CH4,gas 4.54 -1.83 -6.37 -1.593 0.10883E+05 -4.675 4 H2,gas 8.00 1.52 -6.48 -3.703 0.11066E+05 -4.782 5 H2S,gas -6.23 -8.59 -2.36 -1.180 0.40301E+04 -0.661 6 S2,gas -7.34 -20.22 -12.88 -1.982 0.21997E+05 -11.184 7 CO,gas 3.21 -6.39 -9.60 -2.954 0.16393E+05 -7.902 8 SO3,gas 17.12 -14.67 -31.79 -7.947 0.54276E+05 -30.088 9 SO2,gas 0.83 -13.15 -13.98 -3.728 0.23869E+05 -12.280 10 HF,gas 0.47 -9.64 -10.12 -5.058 0.17272E+05 -8.417 11 HCl,gas 5.19 -8.45 -13.64 -6.819 0.23288E+05 -11.940 16 albite-high 0.69 -2.51 -3.20 -0.246 0.54653E+04 17 albite -0.38 -2.51 -2.12 -0.163 0.36265E+04 21 analcite 3.32 0.48 -2.84 -0.316 0.48500E+04 22 andalusite 5.00 1.66 -3.34 -0.334 0.57103E+04 25 anhydrite -5.32 -9.99 -4.67 -2.336 0.79783E+04 38 aragonite 0.97 -3.23 -4.19 -1.398 0.71626E+04 40 calcite 0.81 -3.23 -4.04 -1.347 0.68984E+04 57 coesite -2.38 -2.99 -0.61 -0.204 0.10473E+04 62 corundum 8.38 4.65 -3.74 -0.340 0.63799E+04 64 cristobalite -2.56 -2.99 -0.43 -0.143 0.73267E+03 68 diaspore 2.87 2.32 -0.55 -0.092 0.93998E+03 69 diamond -3.10 -4.87 -1.76 -0.504 0.30132E+04 86 gibbsite 4.08 2.32 -1.76 -0.251 0.29990E+04 89 graphite -3.55 -4.87 -1.32 -0.377 0.22555E+04 98 jadeite 4.22 0.48 -3.73 -0.373 0.63750E+04 102 kyanite 4.88 1.66 -3.22 -0.322 0.54962E+04 119 microcline -2.49 -4.67 -2.18 -0.168 0.37223E+04 123 muscovite 2.58 -0.02 -2.60 -0.153 0.44438E+04 124 paragonite 4.24 2.14 -2.10 -0.124 0.35871E+04 125 nepheline 8.34 3.47 -4.87 -0.695 0.83125E+04 147 pyrrhotiteFe0.875 -6.02 -11.01 -4.99 -1.835 0.85215E+04 149 pyrophyllite -6.18 -7.31 -1.14 -0.071 0.19390E+04 154 rhodochrosite -0.98 -5.14 -4.17 -1.389 0.71133E+04 156 sanidine -1.28 -4.67 -3.39 -0.261 0.57900E+04 159 sillimanite 5.26 1.66 -3.60 -0.360 0.61543E+04 166 stilbite -7.52 -11.60 -4.08 -0.194 0.69710E+04 172 sulfur -9.15 -10.11 -0.96 -0.294 0.16338E+04 180 topaz-H 4.62 1.66 -2.96 -0.269 0.50568E+04 181 tridymite -2.63 -2.99 -0.36 -0.121 0.61998E+03 196 beidellite-Ca -1.65 -4.79 -3.14 -0.194 0.53630E+04 197 beidellite-H -2.33 -5.56 -3.23 -0.206 0.55185E+04 198 beidellite-K -1.52 -4.91 -3.39 -0.207 0.57798E+04 199 beidellite-Mg -1.79 -5.34 -3.55 -0.219 0.60558E+04 200 beidellite-Na -1.34 -4.19 -2.85 -0.175 0.48674E+04 202 chalcedony -2.80 -2.99 -0.19 -0.062 0.31930E+03 203 dawsonite 1.68 -1.44 -3.13 -0.391 0.53384E+04 204 montmorillonite-Ca -2.29 -6.86 -4.57 -0.283 0.78070E+04 205 montmorillonite-K -2.24 -6.98 -4.74 -0.291 0.81020E+04 206 montmorillonite-Mg -2.48 -7.41 -4.93 -0.305 0.84230E+04 207 montmorillonite-Na -2.04 -6.27 -4.23 -0.259 0.72252E+04 214 topaz -16.55 -17.63 -1.08 -0.120 0.18450E+04 234 alabandite -0.98 -5.83 -4.85 -1.617 0.82807E+04 237 boehmite 4.41 2.32 -2.08 -0.347 0.35569E+04 240 fluorite -9.93 -14.61 -4.68 -1.559 0.79852E+04 245 silica-amorphous -2.09 -2.99 -0.90 -0.299 0.15335E+04 247 an20ab80 2.02 -1.34 -3.36 -0.258 0.57287E+04 248 an25ab75 2.65 -1.04 -3.69 -0.284 0.63013E+04 249 an30ab70 3.28 -0.75 -4.03 -0.310 0.68834E+04 Calculations done for 100.0000 Deg. C; 50.0000 bar Next reactant titration increment of: 0.0200000 MOLES Current total amount of reactant added: 0.4799900 MOLES New total amount of reactant added: 0.4999900 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 = 7 Loop limit = 400 Temperature = 100.00 C Pressure = 50.00 bar Mixer fraction = 0.4999900 Water: Moles liquid = 0.5030E+02 kg liquid = 0.9062E+00 Moles total = 0.5026E+02 kg total = 0.9054E+00 Activity = 0.9993 Stoichiometric ionic strength = .4356327E-01 Osmotic coef. = 0.8929 True ionic strength = .2485560E-01 Chg. balance for total moles = -.5508E-08 Max. difference allowed = 0.3088E-06 Log Log Log Species(n) Molality Molality Activity Activity Gamma Gamma 1 H+ 0.17528E-05 -5.7563 0.14517E-05 -5.8381 0.82824E+00 -0.0818 2 H2O 0.99933E+00 -0.0003 0.99933E+00 -0.0003 3 Cl- 0.33905E-02 -2.4697 0.27882E-02 -2.5547 0.82235E+00 -0.0849 4 SO4-- 0.26123E-02 -2.5830 0.12790E-02 -2.8931 0.48958E+00 -0.3102 5 HCO3- 0.11116E-01 -1.9541 0.91568E-02 -2.0383 0.82377E+00 -0.0842 6 HS- 0.22831E-02 -2.6415 0.18779E-02 -2.7263 0.82249E+00 -0.0849 7 Al+++ 0.31925E-14 -14.4959 0.64477E-15 -15.1906 0.20197E+00 -0.6947 8 H4SiO4 0.10232E-02 -2.9900 0.10232E-02 -2.9900 0.10000E+01 0.0000 9 Ca++ 0.17105E-06 -6.7669 0.83016E-07 -7.0808 0.48532E+00 -0.3140 10 Mg++ 0.80370E-10 -10.0949 0.38794E-10 -10.4112 0.48269E+00 -0.3163 11 Fe++ 0.10530E-13 -13.9776 0.50895E-14 -14.2933 0.48332E+00 -0.3158 12 K+ 0.15279E-03 -3.8159 0.12590E-03 -3.9000 0.82400E+00 -0.0841 13 Na+ 0.22087E-01 -1.6559 0.18159E-01 -1.7409 0.82217E+00 -0.0850 14 Mn++ 0.20852E-08 -8.6809 0.10088E-08 -8.9962 0.48379E+00 -0.3153 15 F- 0.21825E-03 -3.6610 0.17905E-03 -3.7470 0.82036E+00 -0.0860 16 HPO4-- 0.27163E-08 -8.5660 0.13301E-08 -8.8761 0.48967E+00 -0.3101 18 HSiO3- 0.80088E-06 -6.0964 0.65860E-06 -6.1814 0.82235E+00 -0.0849 19 Ca(HSiO3)+ 0.15107E-11 -11.8208 0.12452E-11 -11.9048 0.82421E+00 -0.0840 20 Mg(HSiO3)+ 0.87859E-15 -15.0562 0.72414E-15 -15.1402 0.82421E+00 -0.0840 21 NaHSiO3,aq 0.19343E-06 -6.7135 0.19343E-06 -6.7135 0.10000E+01 0.0000 22 AlO+ 0.50466E-10 -10.2970 0.41595E-10 -10.3810 0.82421E+00 -0.0840 23 AlOH+2 0.62077E-12 -12.2071 0.30067E-12 -12.5219 0.48435E+00 -0.3148 24 HAlO2,aq 0.57023E-08 -8.2440 0.57023E-08 -8.2440 0.10000E+01 0.0000 25 AlO2- 0.10596E-07 -7.9749 0.86950E-08 -8.0607 0.82060E+00 -0.0859 26 CH4,aq 0.13218E-07 -7.8788 0.13051E-07 -7.8844 0.98736E+00 -0.0055 27 C2H6,aq 0.24422E-17 -17.6122 0.24113E-17 -17.6177 0.98736E+00 -0.0055 31 CO,aq 0.86281E-11 -11.0641 0.86281E-11 -11.0641 0.10000E+01 0.0000 32 CO2,aq 0.28787E-01 -1.5408 0.28423E-01 -1.5463 0.98736E+00 -0.0055 33 CO3-2 0.11282E-05 -5.9476 0.55095E-06 -6.2589 0.48836E+00 -0.3113 34 CaCO3,aq 0.57350E-09 -9.2415 0.57350E-09 -9.2415 0.10000E+01 0.0000 35 Ca(HCO3)+ 0.23542E-07 -7.6282 0.19404E-07 -7.7121 0.82421E+00 -0.0840 36 CaCl+ 0.45447E-09 -9.3425 0.37458E-09 -9.4265 0.82421E+00 -0.0840 37 CaCl2,aq 0.24812E-12 -12.6053 0.24812E-12 -12.6053 0.10000E+01 0.0000 38 CaF+ 0.26330E-09 -9.5796 0.21701E-09 -9.6635 0.82421E+00 -0.0840 39 CaOH+ 0.49415E-11 -11.3061 0.40729E-11 -11.3901 0.82421E+00 -0.0840 40 CaSO4,aq 0.33715E-07 -7.4722 0.33715E-07 -7.4722 0.10000E+01 0.0000 41 HCl,aq 0.74170E-09 -9.1298 0.74170E-09 -9.1298 0.10000E+01 0.0000 45 HF,aq 0.17793E-05 -5.7497 0.17793E-05 -5.7497 0.10000E+01 0.0000 46 HF2- 0.13080E-09 -9.8834 0.10756E-09 -9.9683 0.82235E+00 -0.0849 48 FeCl+ 0.27252E-16 -16.5646 0.22461E-16 -16.6486 0.82421E+00 -0.0840 51 FeF+ 0.56499E-16 -16.2480 0.46567E-16 -16.3319 0.82421E+00 -0.0840 53 FeO,aq 0.93800E-19 -19.0278 0.93800E-19 -19.0278 0.10000E+01 0.0000 54 FeOH+ 0.13837E-15 -15.8590 0.11404E-15 -15.9429 0.82421E+00 -0.0840 59 HFeO2,aq 0.44346E-19 -19.3531 0.44346E-19 -19.3531 0.10000E+01 0.0000 60 H2,aq 0.12231E-07 -7.9126 0.12076E-07 -7.9181 0.98736E+00 -0.0055 61 KCl,aq 0.63623E-08 -8.1964 0.63623E-08 -8.1964 0.10000E+01 0.0000 62 KHSO4,aq 0.66093E-12 -12.1798 0.66093E-12 -12.1798 0.10000E+01 0.0000 63 KOH,aq 0.37013E-10 -10.4316 0.37013E-10 -10.4316 0.10000E+01 0.0000 64 KSO4- 0.30385E-05 -5.5173 0.24987E-05 -5.6023 0.82235E+00 -0.0849 65 MgCO3,aq 0.67176E-13 -13.1728 0.67176E-13 -13.1728 0.10000E+01 0.0000 66 Mg(HCO3)+ 0.11242E-10 -10.9492 0.92654E-11 -11.0331 0.82421E+00 -0.0840 67 MgCl+ 0.19249E-12 -12.7156 0.15865E-12 -12.7996 0.82421E+00 -0.0840 68 MgF+ 0.45578E-12 -12.3412 0.37566E-12 -12.4252 0.82421E+00 -0.0840 69 MgOH+ 0.12778E-13 -13.8935 0.10532E-13 -13.9775 0.82421E+00 -0.0840 71 MnF+ 0.36912E-11 -11.4328 0.30423E-11 -11.5168 0.82421E+00 -0.0840 72 MnO,aq 0.49540E-15 -15.3050 0.49540E-15 -15.3050 0.10000E+01 0.0000 73 MnOH+ 0.25478E-11 -11.5938 0.20999E-11 -11.6778 0.82421E+00 -0.0840 78 MnCl+ 0.21014E-10 -10.6775 0.17320E-10 -10.7614 0.82421E+00 -0.0840 79 MnSO4,aq 0.37247E-09 -9.4289 0.37247E-09 -9.4289 0.10000E+01 0.0000 80 NaCl,aq 0.16779E-04 -4.7752 0.16779E-04 -4.7752 0.10000E+01 0.0000 81 NaF,aq 0.76119E-06 -6.1185 0.76119E-06 -6.1185 0.10000E+01 0.0000 82 NaOH,aq 0.53708E-08 -8.2700 0.53708E-08 -8.2700 0.10000E+01 0.0000 84 OH- 0.48468E-06 -6.3145 0.39773E-06 -6.4004 0.82060E+00 -0.0859 89 HPO3-2 0.10256E-18 -18.9890 0.50088E-19 -19.3003 0.48836E+00 -0.3113 91 H2PO3- 0.17731E-18 -18.7513 0.14581E-18 -18.8362 0.82235E+00 -0.0849 92 H3PO4,aq 0.19604E-10 -10.7077 0.19604E-10 -10.7077 0.10000E+01 0.0000 93 H2PO4- 0.43265E-07 -7.3639 0.35619E-07 -7.4483 0.82327E+00 -0.0845 94 PO4-3 0.34925E-14 -14.4569 0.74753E-15 -15.1264 0.21404E+00 -0.6695 96 H3P2O7- 0.54225E-19 -19.2658 0.44592E-19 -19.3507 0.82235E+00 -0.0849 97 H2P2O7-2 0.20384E-15 -15.6907 0.99546E-16 -16.0020 0.48836E+00 -0.3113 98 HP2O7-3 0.67708E-16 -16.1694 0.13692E-16 -16.8635 0.20222E+00 -0.6942 99 P2O7-4 0.36897E-19 -19.4330 0.22533E-20 -20.6472 0.61069E-01 -1.2142 100 H2S,aq 0.85332E-02 -2.0689 0.84253E-02 -2.0744 0.98736E+00 -0.0055 101 S2-2 0.13250E-07 -7.8778 0.64705E-08 -8.1891 0.48836E+00 -0.3113 102 S3-2 0.12454E-07 -7.9047 0.60821E-08 -8.2159 0.48836E+00 -0.3113 103 S3- 0.65492E-07 -7.1838 0.53858E-07 -7.2688 0.82235E+00 -0.0849 104 S4-2 0.77330E-08 -8.1117 0.37765E-08 -8.4229 0.48836E+00 -0.3113 105 S5-2 0.32017E-08 -8.4946 0.15636E-08 -8.8059 0.48836E+00 -0.3113 106 SO2,aq 0.14556E-12 -12.8370 0.14556E-12 -12.8370 0.10000E+01 0.0000 107 SO3-2 0.40434E-11 -11.3933 0.20084E-11 -11.6972 0.49671E+00 -0.3039 108 HSO3- 0.22199E-09 -9.6537 0.18255E-09 -9.7386 0.82235E+00 -0.0849 109 HSO4- 0.21684E-05 -5.6639 0.17893E-05 -5.7473 0.82517E+00 -0.0835 111 S2O3-2 0.25937E-06 -6.5861 0.12667E-06 -6.8973 0.48836E+00 -0.3113 112 HS2O3- 0.39980E-10 -10.3982 0.32878E-10 -10.4831 0.82235E+00 -0.0849 113 H2S2O3,aq 0.76515E-15 -15.1163 0.76515E-15 -15.1163 0.10000E+01 0.0000 121 S4O6-2 0.12167E-17 -17.9148 0.59417E-18 -18.2261 0.48836E+00 -0.3113 Charge balance for all species = -.6077E-08 Component Molality Aq.molality ppm log[A(N)/A(H+)**Z] (total) 1 H+ 0.1752755E-05 0.3732326E-01 0.3749593E+02 0.0000 2 H2O 0.1000000E+01 0.5547946E+02 0.9961932E+06 0.0000 3 Cl- 0.3390474E-02 0.3407260E-02 0.1204005E+03 3.2834 4 SO4-- 0.2612346E-02 0.2617890E-02 0.2506519E+03 8.7831 5 HCO3- 0.1111563E-01 0.3990334E-01 0.2426785E+04 3.7999 6 HS- 0.2283144E-02 0.1081683E-01 0.3565581E+03 3.1118 7 Al+++ 0.3192463E-14 0.1634925E-07 0.4396769E-03 2.3238 8 H4SiO4 0.1023249E-02 0.1024243E-02 0.9812189E+02 -2.9900 9 Ca++ 0.1710541E-06 0.2296097E-06 0.9172044E-02 4.5954 10 Mg++ 0.8036970E-10 0.9234031E-10 0.2237597E-05 1.2650 11 Fe++ 0.1053035E-13 0.1075261E-13 0.5985268E-09 -2.6171 12 K+ 0.1527947E-03 0.1558396E-03 0.6073605E+01 1.9382 13 Na+ 0.2208674E-01 0.2210447E-01 0.5065067E+03 4.0972 14 Mn++ 0.2085174E-08 0.2484902E-08 0.1360667E-03 2.6801 15 F- 0.2182549E-03 0.2207959E-03 0.4180890E+01 2.0911 16 HPO4-- 0.2716265E-08 0.4600083E-07 0.4400598E-02 2.8001 Component Tot moles Aq. moles Solid moles Gas moles 1 H+ 0.3380988E-01 0.3382416E-01 -.1427346E-04 0.0000000E+00 2 H2O 0.5025575E+02 0.5027819E+02 -.2243773E-01 0.0000000E+00 3 Cl- 0.3087825E-02 0.3087825E-02 0.0000000E+00 0.0000000E+00 4 SO4-- 0.2372467E-02 0.2372459E-02 0.8148065E-08 0.0000000E+00 5 HCO3- 0.3616235E-01 0.3616235E-01 0.0000000E+00 0.0000000E+00 6 HS- 0.9802794E-02 0.9802737E-02 0.5703646E-07 0.0000000E+00 7 Al+++ 0.4775352E-05 0.1481648E-07 0.4760536E-05 0.0000000E+00 8 H4SiO4 0.1215302E-01 0.9282190E-03 0.1122480E-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 0.9744539E-14 0.3259226E-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- 0.2000960E-03 0.2000960E-03 0.0000000E+00 0.0000000E+00 16 HPO4-- 0.4168819E-07 0.4168819E-07 0.0000000E+00 0.0000000E+00 Chg. balance for solid moles: -.7412E-21 Mass of aqueous solution: 0.909238E+03 g Temperature = 100.00 C Pressure = 50.00 bar Mixer frac. = 0.4999900 Log Log Vol Gas or mineral Moles Moles Grams Grams Wt.% (cm3) kaolinite 0.2380E-05 -5.623 0.6145E-03 -3.211 0.9107E-01 0.2364E-03 pyrite 0.3259E-07 -7.487 0.3910E-05 -5.408 0.5796E-03 0.7802E-06 quartz 0.1122E-01 -1.950 0.6741 -0.171 99.91 0.2546 Partial press. Fugacity coef Log fugacity Gas or Mineral Mole fraction or activity Activity coef Log activity kaolinite 0.1000E+01 0.1000E+01 1.0000 0.000 pyrite 0.1000E+01 0.1000E+01 1.0000 0.000 quartz 0.1000E+01 0.1000E+01 1.0000 0.000 Solid products produced: Mass = 0.674718 g Volume = 0.254807 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: 0.4999900 moles log = -0.3010 Original solution: 1000.0103000 g Original solution / Rock added: 2000.06 (Water/Rock Ratio), log = 3.3010 Gas composition at saturation ( 2 iterations) ------------------------------------------------- Temperature: 100.0000 deg.C Sat. pressure: 4.3498 bar Gas Mole fraction phi Fugacity Partial P(bar) H2O,gas 0.2397E+00 0.9642 0.1005E+01 0.1043E+01 CO2,gas 0.7061E+00 0.9900 0.3041E+01 0.3072E+01 CH4,gas 0.4384E-05 1.0074 0.1921E-04 0.1907E-04 H2,gas 0.3636E-05 1.0023 0.1585E-04 0.1582E-04 H2S,gas 0.5415E-01 0.9833 0.2316E+00 0.2356E+00 S2,gas 0.1842E-11 1.0000 0.8010E-11 0.8010E-11 CO,gas 0.2956E-08 1.0000 0.1286E-07 0.1286E-07 SO3,gas 0.2344E-30 1.0000 0.1020E-29 0.1020E-29 SO2,gas 0.1447E-12 1.0000 0.6294E-12 0.6294E-12 HF,gas 0.1004E-08 1.0000 0.4369E-08 0.4369E-08 HCl,gas 0.3009E-12 1.0000 0.1309E-11 0.1309E-11 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 101 kaolinite -1.33 -1.33 0.00 0.000 -0.64453E-11 145 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 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 -1.697 0.28970E+04 0.002 2 CO2,gas -6.66 -7.88 -1.22 -0.405 0.20762E+04 0.483 3 CH4,gas 4.54 -1.87 -6.42 -1.604 0.10954E+05 -4.716 4 H2,gas 8.00 1.50 -6.50 -3.714 0.11097E+05 -4.800 5 H2S,gas -6.23 -8.56 -2.33 -1.167 0.39856E+04 -0.635 6 S2,gas -7.34 -20.13 -12.80 -1.969 0.21848E+05 -11.096 7 CO,gas 3.21 -6.37 -9.59 -2.951 0.16374E+05 -7.891 8 SO3,gas 17.12 -14.57 -31.69 -7.923 0.54111E+05 -29.991 9 SO2,gas 0.83 -13.07 -13.90 -3.707 0.23734E+05 -12.201 10 HF,gas 0.47 -9.59 -10.06 -5.029 0.17175E+05 -8.360 11 HCl,gas 5.19 -8.39 -13.58 -6.791 0.23191E+05 -11.883 16 albite-high 0.69 -2.55 -3.24 -0.249 0.55338E+04 17 albite -0.38 -2.55 -2.16 -0.166 0.36950E+04 21 analcite 3.32 0.44 -2.88 -0.320 0.49186E+04 22 andalusite 5.00 1.66 -3.34 -0.334 0.57103E+04 25 anhydrite -5.32 -9.97 -4.66 -2.329 0.79520E+04 38 aragonite 0.97 -3.28 -4.25 -1.416 0.72525E+04 40 calcite 0.81 -3.28 -4.09 -1.364 0.69883E+04 57 coesite -2.38 -2.99 -0.61 -0.204 0.10473E+04 62 corundum 8.38 4.65 -3.74 -0.340 0.63799E+04 64 cristobalite -2.56 -2.99 -0.43 -0.143 0.73267E+03 68 diaspore 2.87 2.32 -0.55 -0.092 0.93996E+03 69 diamond -3.10 -4.87 -1.77 -0.506 0.30243E+04 86 gibbsite 4.08 2.32 -1.76 -0.251 0.29990E+04 89 graphite -3.55 -4.87 -1.33 -0.379 0.22666E+04 98 jadeite 4.22 0.44 -3.77 -0.377 0.64436E+04 102 kyanite 4.88 1.66 -3.22 -0.322 0.54962E+04 119 microcline -2.49 -4.71 -2.22 -0.171 0.37914E+04 123 muscovite 2.58 -0.06 -2.64 -0.155 0.45128E+04 124 paragonite 4.24 2.10 -2.14 -0.126 0.36556E+04 125 nepheline 8.34 3.43 -4.91 -0.701 0.83811E+04 149 pyrophyllite -6.18 -7.31 -1.14 -0.071 0.19389E+04 154 rhodochrosite -0.98 -5.20 -4.22 -1.407 0.72055E+04 156 sanidine -1.28 -4.71 -3.43 -0.264 0.58591E+04 159 sillimanite 5.26 1.66 -3.60 -0.360 0.61542E+04 166 stilbite -7.52 -11.69 -4.16 -0.198 0.71103E+04 172 sulfur -9.15 -10.07 -0.91 -0.281 0.15590E+04 180 topaz-H 4.62 1.66 -2.96 -0.269 0.50567E+04 181 tridymite -2.63 -2.99 -0.36 -0.121 0.61998E+03 196 beidellite-Ca -1.65 -4.80 -3.15 -0.195 0.53859E+04 197 beidellite-H -2.33 -5.56 -3.23 -0.206 0.55185E+04 198 beidellite-K -1.52 -4.92 -3.40 -0.208 0.58026E+04 199 beidellite-Mg -1.79 -5.35 -3.56 -0.220 0.60780E+04 200 beidellite-Na -1.34 -4.21 -2.86 -0.175 0.48900E+04 202 chalcedony -2.80 -2.99 -0.19 -0.062 0.31930E+03 203 dawsonite 1.68 -1.46 -3.14 -0.392 0.53577E+04 204 montmorillonite-Ca -2.29 -6.90 -4.61 -0.285 0.78745E+04 205 montmorillonite-K -2.24 -7.02 -4.78 -0.293 0.81693E+04 206 montmorillonite-Mg -2.48 -7.45 -4.97 -0.308 0.84898E+04 207 montmorillonite-Na -2.04 -6.31 -4.27 -0.262 0.72924E+04 214 topaz -16.55 -17.51 -0.97 -0.107 0.16503E+04 234 alabandite -0.98 -5.88 -4.91 -1.636 0.83778E+04 237 boehmite 4.41 2.32 -2.08 -0.347 0.35569E+04 240 fluorite -9.93 -14.57 -4.64 -1.548 0.79298E+04 245 silica-amorphous -2.09 -2.99 -0.90 -0.299 0.15335E+04 247 an20ab80 2.02 -1.39 -3.40 -0.262 0.58114E+04 248 an25ab75 2.65 -1.10 -3.74 -0.288 0.63875E+04 249 an30ab70 3.28 -0.80 -4.08 -0.314 0.69731E+04 Calculations done for 100.0000 Deg. C; 50.0000 bar Next reactant titration increment of: 0.0200000 MOLES Current total amount of reactant added: 0.4999900 MOLES New total amount of reactant added: 0.5199900 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 = 7 Loop limit = 400 Temperature = 100.00 C Pressure = 50.00 bar Mixer fraction = 0.5199900 Water: Moles liquid = 0.5032E+02 kg liquid = 0.9066E+00 Moles total = 0.5027E+02 kg total = 0.9057E+00 Activity = 0.9993 Stoichiometric ionic strength = .4484285E-01 Osmotic coef. = 0.8918 True ionic strength = .2495089E-01 Chg. balance for total moles = -.5508E-08 Max. difference allowed = 0.3206E-06 Log Log Log Species(n) Molality Molality Activity Activity Gamma Gamma 1 H+ 0.19152E-05 -5.7178 0.15858E-05 -5.7998 0.82800E+00 -0.0820 2 H2O 0.99929E+00 -0.0003 0.99929E+00 -0.0003 3 Cl- 0.35188E-02 -2.4536 0.28928E-02 -2.5387 0.82210E+00 -0.0851 4 SO4-- 0.27163E-02 -2.5660 0.13284E-02 -2.8767 0.48904E+00 -0.3107 5 HCO3- 0.10833E-01 -1.9652 0.89215E-02 -2.0496 0.82352E+00 -0.0843 6 HS- 0.22120E-02 -2.6552 0.18188E-02 -2.7402 0.82224E+00 -0.0850 7 Al+++ 0.41721E-14 -14.3796 0.84053E-15 -15.0754 0.20146E+00 -0.6958 8 H4SiO4 0.10232E-02 -2.9901 0.10232E-02 -2.9901 0.10000E+01 0.0000 9 Ca++ 0.17054E-06 -6.7682 0.82675E-07 -7.0826 0.48477E+00 -0.3145 10 Mg++ 0.80587E-10 -10.0937 0.38854E-10 -10.4106 0.48214E+00 -0.3168 11 Fe++ 0.10802E-13 -13.9665 0.52150E-14 -14.2827 0.48277E+00 -0.3163 12 K+ 0.15262E-03 -3.8164 0.12572E-03 -3.9006 0.82375E+00 -0.0842 13 Na+ 0.22078E-01 -1.6560 0.18146E-01 -1.7412 0.82191E+00 -0.0852 14 Mn++ 0.20722E-08 -8.6836 0.10014E-08 -8.9994 0.48324E+00 -0.3158 15 F- 0.22673E-03 -3.6445 0.18594E-03 -3.7306 0.82010E+00 -0.0861 16 HPO4-- 0.25000E-08 -8.6021 0.12228E-08 -8.9126 0.48913E+00 -0.3106 18 HSiO3- 0.73336E-06 -6.1347 0.60289E-06 -6.2198 0.82210E+00 -0.0851 19 Ca(HSiO3)+ 0.13777E-11 -11.8609 0.11351E-11 -11.9450 0.82396E+00 -0.0841 20 Mg(HSiO3)+ 0.80577E-15 -15.0938 0.66392E-15 -15.1779 0.82396E+00 -0.0841 21 NaHSiO3,aq 0.17694E-06 -6.7522 0.17694E-06 -6.7522 0.10000E+01 0.0000 22 AlO+ 0.55148E-10 -10.2585 0.45439E-10 -10.3426 0.82396E+00 -0.0841 23 AlOH+2 0.74162E-12 -12.1298 0.35880E-12 -12.4451 0.48380E+00 -0.3153 24 HAlO2,aq 0.57024E-08 -8.2439 0.57024E-08 -8.2439 0.10000E+01 0.0000 25 AlO2- 0.97032E-08 -8.0131 0.79600E-08 -8.0991 0.82034E+00 -0.0860 26 CH4,aq 0.12013E-07 -7.9204 0.11857E-07 -7.9260 0.98702E+00 -0.0057 27 C2H6,aq 0.20979E-17 -17.6782 0.20706E-17 -17.6839 0.98702E+00 -0.0057 31 CO,aq 0.88271E-11 -11.0542 0.88271E-11 -11.0542 0.10000E+01 0.0000 32 CO2,aq 0.30650E-01 -1.5136 0.30252E-01 -1.5193 0.98702E+00 -0.0057 33 CO3-2 0.10074E-05 -5.9968 0.49141E-06 -6.3086 0.48781E+00 -0.3117 34 CaCO3,aq 0.50942E-09 -9.2929 0.50942E-09 -9.2929 0.10000E+01 0.0000 35 Ca(HCO3)+ 0.22850E-07 -7.6411 0.18828E-07 -7.7252 0.82396E+00 -0.0841 36 CaCl+ 0.46973E-09 -9.3282 0.38704E-09 -9.4122 0.82396E+00 -0.0841 37 CaCl2,aq 0.26600E-12 -12.5751 0.26600E-12 -12.5751 0.10000E+01 0.0000 38 CaF+ 0.27240E-09 -9.5648 0.22444E-09 -9.6489 0.82396E+00 -0.0841 39 CaOH+ 0.45063E-11 -11.3462 0.37130E-11 -11.4303 0.82396E+00 -0.0841 40 CaSO4,aq 0.34875E-07 -7.4575 0.34875E-07 -7.4575 0.10000E+01 0.0000 41 HCl,aq 0.84060E-09 -9.0754 0.84060E-09 -9.0754 0.10000E+01 0.0000 45 HF,aq 0.20185E-05 -5.6950 0.20185E-05 -5.6950 0.10000E+01 0.0000 46 HF2- 0.15414E-09 -9.8121 0.12672E-09 -9.8972 0.82210E+00 -0.0851 48 FeCl+ 0.28980E-16 -16.5379 0.23878E-16 -16.6220 0.82396E+00 -0.0841 51 FeF+ 0.60140E-16 -16.2208 0.49553E-16 -16.3049 0.82396E+00 -0.0841 53 FeO,aq 0.80542E-19 -19.0940 0.80542E-19 -19.0940 0.10000E+01 0.0000 54 FeOH+ 0.12983E-15 -15.8866 0.10697E-15 -15.9707 0.82396E+00 -0.0841 59 HFeO2,aq 0.38838E-19 -19.4107 0.38838E-19 -19.4107 0.10000E+01 0.0000 60 H2,aq 0.11760E-07 -7.9296 0.11607E-07 -7.9353 0.98702E+00 -0.0057 61 KCl,aq 0.65917E-08 -8.1810 0.65917E-08 -8.1810 0.10000E+01 0.0000 62 KHSO4,aq 0.74881E-12 -12.1256 0.74881E-12 -12.1256 0.10000E+01 0.0000 63 KOH,aq 0.33834E-10 -10.4706 0.33834E-10 -10.4706 0.10000E+01 0.0000 64 KSO4- 0.31524E-05 -5.5014 0.25916E-05 -5.5864 0.82210E+00 -0.0851 65 MgCO3,aq 0.60009E-13 -13.2218 0.60009E-13 -13.2218 0.10000E+01 0.0000 66 Mg(HCO3)+ 0.10973E-10 -10.9597 0.90414E-11 -11.0438 0.82396E+00 -0.0841 67 MgCl+ 0.20008E-12 -12.6988 0.16486E-12 -12.7829 0.82396E+00 -0.0841 68 MgF+ 0.47421E-12 -12.3240 0.39073E-12 -12.4081 0.82396E+00 -0.0841 69 MgOH+ 0.11719E-13 -13.9311 0.96559E-14 -14.0152 0.82396E+00 -0.0841 71 MnF+ 0.38063E-11 -11.4195 0.31363E-11 -11.5036 0.82396E+00 -0.0841 72 MnO,aq 0.41210E-15 -15.3850 0.41210E-15 -15.3850 0.10000E+01 0.0000 73 MnOH+ 0.23158E-11 -11.6353 0.19081E-11 -11.7194 0.82396E+00 -0.0841 78 MnCl+ 0.21649E-10 -10.6646 0.17838E-10 -10.7486 0.82396E+00 -0.0841 79 MnSO4,aq 0.38403E-09 -9.4156 0.38403E-09 -9.4156 0.10000E+01 0.0000 80 NaCl,aq 0.17396E-04 -4.7595 0.17396E-04 -4.7595 0.10000E+01 0.0000 81 NaF,aq 0.78995E-06 -6.1024 0.78995E-06 -6.1024 0.10000E+01 0.0000 82 NaOH,aq 0.49130E-08 -8.3087 0.49130E-08 -8.3087 0.10000E+01 0.0000 84 OH- 0.44382E-06 -6.3528 0.36409E-06 -6.4388 0.82034E+00 -0.0860 89 HPO3-2 0.90736E-19 -19.0422 0.44262E-19 -19.3540 0.48781E+00 -0.3117 91 H2PO3- 0.17121E-18 -18.7665 0.14075E-18 -18.8515 0.82210E+00 -0.0851 92 H3PO4,aq 0.21506E-10 -10.6674 0.21506E-10 -10.6674 0.10000E+01 0.0000 93 H2PO4- 0.43463E-07 -7.3619 0.35771E-07 -7.4465 0.82302E+00 -0.0846 94 PO4-3 0.29462E-14 -14.5307 0.62914E-15 -15.2013 0.21354E+00 -0.6705 96 H3P2O7- 0.59761E-19 -19.2236 0.49129E-19 -19.3087 0.82210E+00 -0.0851 97 H2P2O7-2 0.20582E-15 -15.6865 0.10040E-15 -15.9983 0.48781E+00 -0.3117 98 HP2O7-3 0.62671E-16 -16.2029 0.12642E-16 -16.8982 0.20172E+00 -0.6952 99 P2O7-4 0.31321E-19 -19.5042 0.19045E-20 -20.7202 0.60807E-01 -1.2160 100 H2S,aq 0.90311E-02 -2.0443 0.89139E-02 -2.0499 0.98702E+00 -0.0057 101 S2-2 0.12945E-07 -7.8879 0.63148E-08 -8.1996 0.48781E+00 -0.3117 102 S3-2 0.13394E-07 -7.8731 0.65336E-08 -8.1848 0.48781E+00 -0.3117 103 S3- 0.78414E-07 -7.1056 0.64464E-07 -7.1907 0.82210E+00 -0.0851 104 S4-2 0.91540E-08 -8.0384 0.44655E-08 -8.3501 0.48781E+00 -0.3117 105 S5-2 0.41718E-08 -8.3797 0.20351E-08 -8.6914 0.48781E+00 -0.3117 106 SO2,aq 0.17341E-12 -12.7609 0.17341E-12 -12.7609 0.10000E+01 0.0000 107 SO3-2 0.40410E-11 -11.3935 0.20051E-11 -11.6979 0.49618E+00 -0.3044 108 HSO3- 0.24217E-09 -9.6159 0.19908E-09 -9.7010 0.82210E+00 -0.0851 109 HSO4- 0.24610E-05 -5.6089 0.20301E-05 -5.6925 0.82492E+00 -0.0836 111 S2O3-2 0.28534E-06 -6.5446 0.13919E-06 -6.8564 0.48781E+00 -0.3117 112 HS2O3- 0.48008E-10 -10.3187 0.39467E-10 -10.4038 0.82210E+00 -0.0851 113 H2S2O3,aq 0.10033E-14 -14.9986 0.10033E-14 -14.9986 0.10000E+01 0.0000 121 S4O6-2 0.18261E-17 -17.7385 0.89079E-18 -18.0502 0.48781E+00 -0.3117 Charge balance for all species = -.6075E-08 Component Molality Aq.molality ppm log[A(N)/A(H+)**Z] (total) 1 H+ 0.1915201E-05 0.3968529E-01 0.3986515E+02 0.0000 2 H2O 0.1000000E+01 0.5547760E+02 0.9960665E+06 0.0000 3 Cl- 0.3518793E-02 0.3536197E-02 0.1249449E+03 3.2611 4 SO4-- 0.2716302E-02 0.2722291E-02 0.2606235E+03 8.7228 5 HCO3- 0.1083339E-01 0.4148402E-01 0.2522681E+04 3.7502 6 HS- 0.2211976E-02 0.1124369E-01 0.3705940E+03 3.0595 7 Al+++ 0.4172095E-14 0.1546153E-07 0.4157647E-03 2.3238 8 H4SiO4 0.1023162E-02 0.1024072E-02 0.9809632E+02 -2.9901 9 Ca++ 0.1705447E-06 0.2295273E-06 0.9167892E-02 4.5169 10 Mg++ 0.8058721E-10 0.9230715E-10 0.2236584E-05 1.1890 11 Fe++ 0.1080229E-13 0.1102136E-13 0.6134286E-09 -2.6832 12 K+ 0.1526245E-03 0.1557836E-03 0.6070855E+01 1.8992 13 Na+ 0.2207817E-01 0.2209654E-01 0.5062774E+03 4.0585 14 Mn++ 0.2072212E-08 0.2484010E-08 0.1360051E-03 2.6001 15 F- 0.2267320E-03 0.2295411E-03 0.4346077E+01 2.0691 16 HPO4-- 0.2499960E-08 0.4598431E-07 0.4398606E-02 2.6869 Component Tot moles Aq. moles Solid moles Gas moles 1 H+ 0.3596338E-01 0.3597766E-01 -.1427586E-04 0.0000000E+00 2 H2O 0.5027212E+02 0.5029456E+02 -.2243737E-01 0.0000000E+00 3 Cl- 0.3205825E-02 0.3205825E-02 0.0000000E+00 0.0000000E+00 4 SO4-- 0.2467967E-02 0.2467959E-02 0.8148065E-08 0.0000000E+00 5 HCO3- 0.3760835E-01 0.3760835E-01 0.0000000E+00 0.0000000E+00 6 HS- 0.1019329E-01 0.1019324E-01 0.5703646E-07 0.0000000E+00 7 Al+++ 0.4775352E-05 0.1401702E-07 0.4761335E-05 0.0000000E+00 8 H4SiO4 0.1215302E-01 0.9283975E-03 0.1122462E-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 0.9991677E-14 0.3259226E-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- 0.2080960E-03 0.2080960E-03 0.0000000E+00 0.0000000E+00 16 HPO4-- 0.4168819E-07 0.4168819E-07 0.0000000E+00 0.0000000E+00 Chg. balance for solid moles: 0.1032E-20 Mass of aqueous solution: 0.909650E+03 g Temperature = 100.00 C Pressure = 50.00 bar Mixer frac. = 0.5199900 Log Log Vol Gas or mineral Moles Moles Grams Grams Wt.% (cm3) kaolinite 0.2381E-05 -5.623 0.6146E-03 -3.211 0.9109E-01 0.2365E-03 pyrite 0.3259E-07 -7.487 0.3910E-05 -5.408 0.5796E-03 0.7802E-06 quartz 0.1122E-01 -1.950 0.6741 -0.171 99.91 0.2546 Partial press. Fugacity coef Log fugacity Gas or Mineral Mole fraction or activity Activity coef Log activity kaolinite 0.1000E+01 0.1000E+01 1.0000 0.000 pyrite 0.1000E+01 0.1000E+01 1.0000 0.000 quartz 0.1000E+01 0.1000E+01 1.0000 0.000 Solid products produced: Mass = 0.674708 g Volume = 0.254803 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: 0.5199900 moles log = -0.2840 Original solution: 1000.0103000 g Original solution / Rock added: 1923.13 (Water/Rock Ratio), log = 3.2840 Gas composition at saturation ( 2 iterations) ------------------------------------------------- Temperature: 100.0000 deg.C Sat. pressure: 4.5648 bar Gas Mole fraction phi Fugacity Partial P(bar) H2O,gas 0.2286E+00 0.9632 0.1005E+01 0.1044E+01 CO2,gas 0.7167E+00 0.9893 0.3237E+01 0.3272E+01 CH4,gas 0.3795E-05 1.0074 0.1745E-04 0.1732E-04 H2,gas 0.3330E-05 1.0024 0.1524E-04 0.1520E-04 H2S,gas 0.5464E-01 0.9824 0.2450E+00 0.2494E+00 S2,gas 0.2126E-11 1.0000 0.9705E-11 0.9705E-11 CO,gas 0.2882E-08 1.0000 0.1315E-07 0.1315E-07 SO3,gas 0.2769E-30 1.0000 0.1264E-29 0.1264E-29 SO2,gas 0.1643E-12 1.0000 0.7499E-12 0.7499E-12 HF,gas 0.1086E-08 1.0000 0.4956E-08 0.4956E-08 HCl,gas 0.3249E-12 1.0000 0.1483E-11 0.1483E-11 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 101 kaolinite -1.33 -1.33 0.00 0.000 0.56870E-11 145 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 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 -1.697 0.28971E+04 0.002 2 CO2,gas -6.66 -7.85 -1.19 -0.396 0.20300E+04 0.510 3 CH4,gas 4.54 -1.91 -6.46 -1.614 0.11025E+05 -4.758 4 H2,gas 8.00 1.48 -6.52 -3.723 0.11126E+05 -4.817 5 H2S,gas -6.23 -8.54 -2.31 -1.155 0.39438E+04 -0.611 6 S2,gas -7.34 -20.05 -12.71 -1.956 0.21705E+05 -11.013 7 CO,gas 3.21 -6.36 -9.58 -2.948 0.16357E+05 -7.881 8 SO3,gas 17.12 -14.48 -31.60 -7.899 0.53951E+05 -29.898 9 SO2,gas 0.83 -12.99 -13.82 -3.686 0.23604E+05 -12.125 10 HF,gas 0.47 -9.53 -10.00 -5.002 0.17081E+05 -8.305 11 HCl,gas 5.19 -8.34 -13.53 -6.764 0.23098E+05 -11.829 16 albite-high 0.69 -2.59 -3.28 -0.252 0.55998E+04 17 albite -0.38 -2.59 -2.20 -0.169 0.37610E+04 21 analcite 3.32 0.40 -2.92 -0.324 0.49846E+04 22 andalusite 5.00 1.66 -3.34 -0.334 0.57102E+04 25 anhydrite -5.32 -9.96 -4.64 -2.321 0.79269E+04 38 aragonite 0.97 -3.33 -4.30 -1.433 0.73403E+04 40 calcite 0.81 -3.33 -4.14 -1.381 0.70761E+04 57 coesite -2.38 -2.99 -0.61 -0.204 0.10473E+04 62 corundum 8.38 4.65 -3.74 -0.340 0.63798E+04 64 cristobalite -2.56 -2.99 -0.43 -0.143 0.73267E+03 68 diaspore 2.87 2.32 -0.55 -0.092 0.93995E+03 69 diamond -3.10 -4.88 -1.78 -0.508 0.30368E+04 86 gibbsite 4.08 2.32 -1.76 -0.251 0.29990E+04 89 graphite -3.55 -4.88 -1.33 -0.381 0.22790E+04 98 jadeite 4.22 0.40 -3.81 -0.381 0.65096E+04 102 kyanite 4.88 1.66 -3.22 -0.322 0.54961E+04 119 microcline -2.49 -4.75 -2.26 -0.174 0.38579E+04 123 muscovite 2.58 -0.10 -2.68 -0.158 0.45793E+04 124 paragonite 4.24 2.06 -2.18 -0.128 0.37216E+04 125 nepheline 8.34 3.39 -4.95 -0.707 0.84471E+04 149 pyrophyllite -6.18 -7.31 -1.14 -0.071 0.19389E+04 154 rhodochrosite -0.98 -5.25 -4.27 -1.424 0.72958E+04 156 sanidine -1.28 -4.75 -3.47 -0.267 0.59257E+04 159 sillimanite 5.26 1.66 -3.60 -0.360 0.61541E+04 166 stilbite -7.52 -11.76 -4.24 -0.202 0.72446E+04 172 sulfur -9.15 -10.02 -0.87 -0.268 0.14879E+04 180 topaz-H 4.62 1.66 -2.96 -0.269 0.50567E+04 181 tridymite -2.63 -2.99 -0.36 -0.121 0.61998E+03 196 beidellite-Ca -1.65 -4.81 -3.17 -0.196 0.54080E+04 197 beidellite-H -2.33 -5.56 -3.23 -0.206 0.55184E+04 198 beidellite-K -1.52 -4.93 -3.41 -0.209 0.58245E+04 199 beidellite-Mg -1.79 -5.36 -3.57 -0.221 0.60994E+04 200 beidellite-Na -1.34 -4.22 -2.88 -0.176 0.49117E+04 202 chalcedony -2.80 -2.99 -0.19 -0.062 0.31930E+03 203 dawsonite 1.68 -1.47 -3.15 -0.394 0.53775E+04 204 montmorillonite-Ca -2.29 -6.94 -4.65 -0.288 0.79395E+04 205 montmorillonite-K -2.24 -7.06 -4.82 -0.295 0.82341E+04 207 montmorillonite-Na -2.04 -6.35 -4.31 -0.264 0.73570E+04 214 topaz -16.55 -17.40 -0.86 -0.095 0.14632E+04 234 alabandite -0.98 -5.94 -4.96 -1.654 0.84725E+04 237 boehmite 4.41 2.32 -2.08 -0.347 0.35569E+04 240 fluorite -9.93 -14.54 -4.61 -1.538 0.78768E+04 245 silica-amorphous -2.09 -2.99 -0.90 -0.299 0.15335E+04 247 an20ab80 2.02 -1.43 -3.45 -0.265 0.58910E+04 248 an25ab75 2.65 -1.14 -3.79 -0.292 0.64705E+04 249 an30ab70 3.28 -0.86 -4.13 -0.318 0.70596E+04 Calculations done for 100.0000 Deg. C; 50.0000 bar Next reactant titration increment of: 0.0200000 MOLES Current total amount of reactant added: 0.5199900 MOLES New total amount of reactant added: 0.5399900 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 = 7 Loop limit = 400 Temperature = 100.00 C Pressure = 50.00 bar Mixer fraction = 0.5399900 Water: Moles liquid = 0.5034E+02 kg liquid = 0.9069E+00 Moles total = 0.5029E+02 kg total = 0.9060E+00 Activity = 0.9992 Stoichiometric ionic strength = .4612160E-01 Osmotic coef. = 0.8909 True ionic strength = .2504610E-01 Chg. balance for total moles = -.5508E-08 Max. difference allowed = 0.3324E-06 Log Log Log Species(n) Molality Molality Activity Activity Gamma Gamma 1 H+ 0.20866E-05 -5.6806 0.17272E-05 -5.7627 0.82776E+00 -0.0821 2 H2O 0.99924E+00 -0.0003 0.99924E+00 -0.0003 3 Cl- 0.36470E-02 -2.4381 0.29973E-02 -2.5233 0.82184E+00 -0.0852 4 SO4-- 0.28202E-02 -2.5497 0.13777E-02 -2.8609 0.48851E+00 -0.3111 5 HCO3- 0.10550E-01 -1.9768 0.86854E-02 -2.0612 0.82327E+00 -0.0845 6 HS- 0.21423E-02 -2.6691 0.17609E-02 -2.7543 0.82198E+00 -0.0851 7 Al+++ 0.54050E-14 -14.2672 0.10862E-14 -14.9641 0.20096E+00 -0.6969 8 H4SiO4 0.10231E-02 -2.9901 0.10231E-02 -2.9901 0.10000E+01 0.0000 9 Ca++ 0.17004E-06 -6.7695 0.82337E-07 -7.0844 0.48423E+00 -0.3150 10 Mg++ 0.80806E-10 -10.0926 0.38915E-10 -10.4099 0.48159E+00 -0.3173 11 Fe++ 0.11100E-13 -13.9547 0.53525E-14 -14.2714 0.48222E+00 -0.3168 12 K+ 0.15246E-03 -3.8169 0.12555E-03 -3.9012 0.82350E+00 -0.0843 13 Na+ 0.22070E-01 -1.6562 0.18134E-01 -1.7415 0.82165E+00 -0.0853 14 Mn++ 0.20594E-08 -8.6862 0.99408E-09 -9.0026 0.48269E+00 -0.3163 15 F- 0.23518E-03 -3.6286 0.19281E-03 -3.7149 0.81984E+00 -0.0863 16 HPO4-- 0.23063E-08 -8.6371 0.11268E-08 -8.9481 0.48859E+00 -0.3111 18 HSiO3- 0.67348E-06 -6.1717 0.55350E-06 -6.2569 0.82184E+00 -0.0852 19 Ca(HSiO3)+ 0.12600E-11 -11.8996 0.10379E-11 -11.9839 0.82371E+00 -0.0842 20 Mg(HSiO3)+ 0.74113E-15 -15.1301 0.61048E-15 -15.2143 0.82371E+00 -0.0842 21 NaHSiO3,aq 0.16233E-06 -6.7896 0.16233E-06 -6.7896 0.10000E+01 0.0000 22 AlO+ 0.60089E-10 -10.2212 0.49496E-10 -10.3054 0.82371E+00 -0.0842 23 AlOH+2 0.88088E-12 -12.0551 0.42569E-12 -12.3709 0.48325E+00 -0.3158 24 HAlO2,aq 0.57025E-08 -8.2439 0.57025E-08 -8.2439 0.10000E+01 0.0000 25 AlO2- 0.89116E-08 -8.0500 0.73083E-08 -8.1362 0.82008E+00 -0.0861 26 CH4,aq 0.10922E-07 -7.9617 0.10776E-07 -7.9675 0.98667E+00 -0.0058 27 C2H6,aq 0.18016E-17 -17.7443 0.17776E-17 -17.7502 0.98667E+00 -0.0058 31 CO,aq 0.90065E-11 -11.0454 0.90065E-11 -11.0454 0.10000E+01 0.0000 32 CO2,aq 0.32513E-01 -1.4879 0.32079E-01 -1.4938 0.98667E+00 -0.0058 33 CO3-2 0.90139E-06 -6.0451 0.43922E-06 -6.3573 0.48727E+00 -0.3122 34 CaCO3,aq 0.45346E-09 -9.3435 0.45346E-09 -9.3435 0.10000E+01 0.0000 35 Ca(HCO3)+ 0.22161E-07 -7.6544 0.18254E-07 -7.7386 0.82371E+00 -0.0842 36 CaCl+ 0.48485E-09 -9.3144 0.39938E-09 -9.3986 0.82371E+00 -0.0842 37 CaCl2,aq 0.28439E-12 -12.5461 0.28439E-12 -12.5461 0.10000E+01 0.0000 38 CaF+ 0.28139E-09 -9.5507 0.23178E-09 -9.6349 0.82371E+00 -0.0842 39 CaOH+ 0.41214E-11 -11.3850 0.33948E-11 -11.4692 0.82371E+00 -0.0842 40 CaSO4,aq 0.36020E-07 -7.4435 0.36020E-07 -7.4435 0.10000E+01 0.0000 41 HCl,aq 0.94866E-09 -9.0229 0.94866E-09 -9.0229 0.10000E+01 0.0000 45 HF,aq 0.22798E-05 -5.6421 0.22798E-05 -5.6421 0.10000E+01 0.0000 46 HF2- 0.18058E-09 -9.7433 0.14841E-09 -9.8285 0.82184E+00 -0.0852 48 FeCl+ 0.30828E-16 -16.5111 0.25393E-16 -16.5953 0.82371E+00 -0.0842 51 FeF+ 0.64025E-16 -16.1937 0.52738E-16 -16.2779 0.82371E+00 -0.0842 53 FeO,aq 0.69678E-19 -19.1569 0.69678E-19 -19.1569 0.10000E+01 0.0000 54 FeOH+ 0.12237E-15 -15.9123 0.10080E-15 -15.9966 0.82371E+00 -0.0842 59 HFeO2,aq 0.34253E-19 -19.4653 0.34253E-19 -19.4653 0.10000E+01 0.0000 60 H2,aq 0.11319E-07 -7.9462 0.11168E-07 -7.9520 0.98667E+00 -0.0058 61 KCl,aq 0.68201E-08 -8.1662 0.68201E-08 -8.1662 0.10000E+01 0.0000 62 KHSO4,aq 0.84466E-12 -12.0733 0.84466E-12 -12.0733 0.10000E+01 0.0000 63 KOH,aq 0.31018E-10 -10.5084 0.31018E-10 -10.5084 0.10000E+01 0.0000 64 KSO4- 0.32658E-05 -5.4860 0.26839E-05 -5.5712 0.82184E+00 -0.0852 65 MgCO3,aq 0.53721E-13 -13.2699 0.53721E-13 -13.2699 0.10000E+01 0.0000 66 Mg(HCO3)+ 0.10703E-10 -10.9705 0.88159E-11 -11.0547 0.82371E+00 -0.0842 67 MgCl+ 0.20770E-12 -12.6826 0.17108E-12 -12.7668 0.82371E+00 -0.0842 68 MgF+ 0.49265E-12 -12.3075 0.40580E-12 -12.3917 0.82371E+00 -0.0842 69 MgOH+ 0.10779E-13 -13.9674 0.88786E-14 -14.0517 0.82371E+00 -0.0842 71 MnF+ 0.39193E-11 -11.4068 0.32284E-11 -11.4910 0.82371E+00 -0.0842 72 MnO,aq 0.34482E-15 -15.4624 0.34482E-15 -15.4624 0.10000E+01 0.0000 73 MnOH+ 0.21112E-11 -11.6755 0.17390E-11 -11.7597 0.82371E+00 -0.0842 78 MnCl+ 0.22275E-10 -10.6522 0.18348E-10 -10.7364 0.82371E+00 -0.0842 79 MnSO4,aq 0.39537E-09 -9.4030 0.39537E-09 -9.4030 0.10000E+01 0.0000 80 NaCl,aq 0.18012E-04 -4.7444 0.18012E-04 -4.7444 0.10000E+01 0.0000 81 NaF,aq 0.81855E-06 -6.0870 0.81855E-06 -6.0870 0.10000E+01 0.0000 82 NaOH,aq 0.45073E-08 -8.3461 0.45073E-08 -8.3461 0.10000E+01 0.0000 84 OH- 0.40759E-06 -6.3898 0.33426E-06 -6.4759 0.82008E+00 -0.0861 89 HPO3-2 0.80543E-19 -19.0940 0.39247E-19 -19.4062 0.48727E+00 -0.3122 91 H2PO3- 0.16540E-18 -18.7815 0.13593E-18 -18.8667 0.82184E+00 -0.0852 92 H3PO4,aq 0.23512E-10 -10.6287 0.23512E-10 -10.6287 0.10000E+01 0.0000 93 H2PO4- 0.43638E-07 -7.3601 0.35904E-07 -7.4449 0.82277E+00 -0.0847 94 PO4-3 0.24984E-14 -14.6023 0.53228E-15 -15.2739 0.21305E+00 -0.6715 96 H3P2O7- 0.65600E-19 -19.1831 0.53912E-19 -19.2683 0.82184E+00 -0.0852 97 H2P2O7-2 0.20759E-15 -15.6828 0.10115E-15 -15.9950 0.48727E+00 -0.3122 98 HP2O7-3 0.58114E-16 -16.2357 0.11694E-16 -16.9320 0.20122E+00 -0.6963 99 P2O7-4 0.26713E-19 -19.5733 0.16174E-20 -20.7912 0.60548E-01 -1.2179 100 H2S,aq 0.95273E-02 -2.0210 0.94003E-02 -2.0269 0.98667E+00 -0.0058 101 S2-2 0.12627E-07 -7.8987 0.61526E-08 -8.2109 0.48727E+00 -0.3122 102 S3-2 0.14319E-07 -7.8441 0.69772E-08 -8.1563 0.48727E+00 -0.3122 103 S3- 0.93012E-07 -7.0315 0.76441E-07 -7.1167 0.82184E+00 -0.0852 104 S4-2 0.10726E-07 -7.9695 0.52267E-08 -8.2818 0.48727E+00 -0.3122 105 S5-2 0.53579E-08 -8.2710 0.26108E-08 -8.5832 0.48727E+00 -0.3122 106 SO2,aq 0.20530E-12 -12.6876 0.20530E-12 -12.6876 0.10000E+01 0.0000 107 SO3-2 0.40367E-11 -11.3940 0.20008E-11 -11.6988 0.49566E+00 -0.3048 108 HSO3- 0.26329E-09 -9.5796 0.21638E-09 -9.6648 0.82184E+00 -0.0852 109 HSO4- 0.27807E-05 -5.5558 0.22932E-05 -5.6396 0.82467E+00 -0.0837 111 S2O3-2 0.31244E-06 -6.5052 0.15224E-06 -6.8175 0.48727E+00 -0.3122 112 HS2O3- 0.57209E-10 -10.2425 0.47017E-10 -10.3277 0.82184E+00 -0.0852 113 H2S2O3,aq 0.13019E-14 -14.8854 0.13019E-14 -14.8854 0.10000E+01 0.0000 121 S4O6-2 0.26965E-17 -17.5692 0.13139E-17 -17.8814 0.48727E+00 -0.3122 Charge balance for all species = -.6073E-08 Component Molality Aq.molality ppm log[A(N)/A(H+)**Z] (total) 1 H+ 0.2086636E-05 0.4204562E-01 0.4223222E+02 0.0000 2 H2O 0.1000000E+01 0.5547574E+02 0.9959399E+06 0.0000 3 Cl- 0.3647021E-02 0.3665041E-02 0.1294853E+03 3.2394 4 SO4-- 0.2820154E-02 0.2826618E-02 0.2705861E+03 8.6644 5 HCO3- 0.1054991E-01 0.4306357E-01 0.2618490E+04 3.7014 6 HS- 0.2142313E-02 0.1167024E-01 0.3846172E+03 3.0084 7 Al+++ 0.5405024E-14 0.1467510E-07 0.3945807E-03 2.3239 8 H4SiO4 0.1023075E-02 0.1023911E-02 0.9807169E+02 -2.9901 9 Ca++ 0.1700382E-06 0.2294449E-06 0.9163743E-02 4.4409 10 Mg++ 0.8080573E-10 0.9227401E-10 0.2235572E-05 1.1154 11 Fe++ 0.1109985E-13 0.1131718E-13 0.6298348E-09 -2.7461 12 K+ 0.1524551E-03 0.1557277E-03 0.6068108E+01 1.8615 13 Na+ 0.2206961E-01 0.2208860E-01 0.5060483E+03 4.0211 14 Mn++ 0.2059447E-08 0.2483118E-08 0.1359436E-03 2.5227 15 F- 0.2351809E-03 0.2382799E-03 0.4511114E+01 2.0478 16 HPO4-- 0.2306310E-08 0.4596780E-07 0.4396616E-02 2.5772 Component Tot moles Aq. moles Solid moles Gas moles 1 H+ 0.3811688E-01 0.3813116E-01 -.1427798E-04 0.0000000E+00 2 H2O 0.5028850E+02 0.5031094E+02 -.2243700E-01 0.0000000E+00 3 Cl- 0.3323825E-02 0.3323825E-02 0.0000000E+00 0.0000000E+00 4 SO4-- 0.2563467E-02 0.2563459E-02 0.8148065E-08 0.0000000E+00 5 HCO3- 0.3905435E-01 0.3905435E-01 0.0000000E+00 0.0000000E+00 6 HS- 0.1058379E-01 0.1058374E-01 0.5703645E-07 0.0000000E+00 7 Al+++ 0.4775352E-05 0.1330885E-07 0.4762043E-05 0.0000000E+00 8 H4SiO4 0.1215302E-01 0.9285846E-03 0.1122444E-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 0.1026355E-13 0.3259226E-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- 0.2160960E-03 0.2160960E-03 0.0000000E+00 0.0000000E+00 16 HPO4-- 0.4168819E-07 0.4168819E-07 0.0000000E+00 0.0000000E+00 Chg. balance for solid moles: -.1826E-20 Mass of aqueous solution: 0.910062E+03 g Temperature = 100.00 C Pressure = 50.00 bar Mixer frac. = 0.5399900 Log Log Vol Gas or mineral Moles Moles Grams Grams Wt.% (cm3) kaolinite 0.2381E-05 -5.623 0.6147E-03 -3.211 0.9111E-01 0.2365E-03 pyrite 0.3259E-07 -7.487 0.3910E-05 -5.408 0.5796E-03 0.7802E-06 quartz 0.1122E-01 -1.950 0.6741 -0.171 99.91 0.2546 Partial press. Fugacity coef Log fugacity Gas or Mineral Mole fraction or activity Activity coef Log activity kaolinite 0.1000E+01 0.1000E+01 1.0000 0.000 pyrite 0.1000E+01 0.1000E+01 1.0000 0.000 quartz 0.1000E+01 0.1000E+01 1.0000 0.000 Solid products produced: Mass = 0.674697 g Volume = 0.254798 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: 0.5399900 moles log = -0.2676 Original solution: 1000.0103000 g Original solution / Rock added: 1851.91 (Water/Rock Ratio), log = 3.2676 Gas composition at saturation ( 2 iterations) ------------------------------------------------- Temperature: 100.0000 deg.C Sat. pressure: 4.7798 bar Gas Mole fraction phi Fugacity Partial P(bar) H2O,gas 0.2186E+00 0.9622 0.1005E+01 0.1045E+01 CO2,gas 0.7264E+00 0.9886 0.3432E+01 0.3472E+01 CH4,gas 0.3294E-05 1.0074 0.1586E-04 0.1574E-04 H2,gas 0.3060E-05 1.0026 0.1466E-04 0.1462E-04 H2S,gas 0.5507E-01 0.9816 0.2584E+00 0.2632E+00 S2,gas 0.2439E-11 1.0000 0.1166E-10 0.1166E-10 CO,gas 0.2808E-08 1.0000 0.1342E-07 0.1342E-07 SO3,gas 0.3254E-30 1.0000 0.1555E-29 0.1555E-29 SO2,gas 0.1857E-12 1.0000 0.8878E-12 0.8878E-12 HF,gas 0.1171E-08 1.0000 0.5598E-08 0.5598E-08 HCl,gas 0.3502E-12 1.0000 0.1674E-11 0.1674E-11 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 101 kaolinite -1.33 -1.33 0.00 0.000 -0.64453E-11 145 pyrite -21.25 -21.25 0.00 0.000 0.00000E+00 150 quartz -2.99 -2.99 0.00 0.000 -0.75827E-12 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 -1.697 0.28971E+04 0.002 2 CO2,gas -6.66 -7.82 -1.16 -0.388 0.19865E+04 0.536 3 CH4,gas 4.54 -1.95 -6.50 -1.625 0.11096E+05 -4.800 4 H2,gas 8.00 1.47 -6.53 -3.733 0.11155E+05 -4.834 5 H2S,gas -6.23 -8.52 -2.29 -1.143 0.39044E+04 -0.588 6 S2,gas -7.34 -19.97 -12.63 -1.943 0.21569E+05 -10.933 7 CO,gas 3.21 -6.36 -9.57 -2.945 0.16343E+05 -7.872 8 SO3,gas 17.12 -14.39 -31.51 -7.877 0.53798E+05 -29.808 9 SO2,gas 0.83 -12.92 -13.75 -3.667 0.23479E+05 -12.052 10 HF,gas 0.47 -9.48 -9.95 -4.975 0.16991E+05 -8.252 11 HCl,gas 5.19 -8.29 -13.48 -6.738 0.23009E+05 -11.776 16 albite-high 0.69 -2.62 -3.32 -0.255 0.56637E+04 17 albite -0.38 -2.62 -2.24 -0.172 0.38249E+04 21 analcite 3.32 0.37 -2.96 -0.329 0.50485E+04 22 andalusite 5.00 1.66 -3.34 -0.334 0.57101E+04 25 anhydrite -5.32 -9.95 -4.63 -2.314 0.79030E+04 38 aragonite 0.97 -3.38 -4.35 -1.450 0.74266E+04 40 calcite 0.81 -3.38 -4.19 -1.398 0.71624E+04 57 coesite -2.38 -2.99 -0.61 -0.204 0.10473E+04 62 corundum 8.38 4.65 -3.74 -0.340 0.63797E+04 64 cristobalite -2.56 -2.99 -0.43 -0.143 0.73267E+03 68 diaspore 2.87 2.32 -0.55 -0.092 0.93993E+03 69 diamond -3.10 -4.89 -1.79 -0.510 0.30504E+04 86 gibbsite 4.08 2.32 -1.76 -0.251 0.29990E+04 89 graphite -3.55 -4.89 -1.34 -0.384 0.22927E+04 98 jadeite 4.22 0.37 -3.85 -0.385 0.65734E+04 102 kyanite 4.88 1.66 -3.22 -0.322 0.54960E+04 119 microcline -2.49 -4.78 -2.30 -0.177 0.39223E+04 123 muscovite 2.58 -0.14 -2.72 -0.160 0.46437E+04 124 paragonite 4.24 2.02 -2.22 -0.130 0.37854E+04 125 nepheline 8.34 3.35 -4.98 -0.712 0.85110E+04 149 pyrophyllite -6.18 -7.31 -1.14 -0.071 0.19389E+04 154 rhodochrosite -0.98 -5.30 -4.32 -1.442 0.73845E+04 156 sanidine -1.28 -4.78 -3.51 -0.270 0.59901E+04 159 sillimanite 5.26 1.66 -3.60 -0.360 0.61541E+04 166 stilbite -7.52 -11.84 -4.32 -0.206 0.73745E+04 172 sulfur -9.15 -9.98 -0.83 -0.256 0.14199E+04 180 topaz-H 4.62 1.66 -2.96 -0.269 0.50567E+04 181 tridymite -2.63 -2.99 -0.36 -0.121 0.61998E+03 196 beidellite-Ca -1.65 -4.83 -3.18 -0.197 0.54294E+04 197 beidellite-H -2.33 -5.56 -3.23 -0.206 0.55184E+04 198 beidellite-K -1.52 -4.94 -3.42 -0.210 0.58457E+04 199 beidellite-Mg -1.79 -5.37 -3.58 -0.222 0.61201E+04 200 beidellite-Na -1.34 -4.23 -2.89 -0.177 0.49328E+04 202 chalcedony -2.80 -2.99 -0.19 -0.062 0.31930E+03 203 dawsonite 1.68 -1.48 -3.16 -0.395 0.53979E+04 204 montmorillonite-Ca -2.29 -6.98 -4.69 -0.290 0.80023E+04 205 montmorillonite-K -2.24 -7.10 -4.86 -0.298 0.82968E+04 207 montmorillonite-Na -2.04 -6.38 -4.35 -0.266 0.74195E+04 214 topaz -16.55 -17.30 -0.75 -0.083 0.12826E+04 218 gypsum -4.96 -9.95 -4.99 -1.248 0.85217E+04 237 boehmite 4.41 2.32 -2.08 -0.347 0.35569E+04 240 fluorite -9.93 -14.51 -4.58 -1.528 0.78261E+04 245 silica-amorphous -2.09 -2.99 -0.90 -0.299 0.15335E+04 247 an20ab80 2.02 -1.48 -3.50 -0.269 0.59680E+04 248 an25ab75 2.65 -1.19 -3.84 -0.295 0.65508E+04 249 an30ab70 3.28 -0.90 -4.18 -0.322 0.71432E+04 Calculations done for 100.0000 Deg. C; 50.0000 bar Next reactant titration increment of: 0.0200000 MOLES Current total amount of reactant added: 0.5399900 MOLES New total amount of reactant added: 0.5599900 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 = 7 Loop limit = 400 Temperature = 100.00 C Pressure = 50.00 bar Mixer fraction = 0.5599900 Water: Moles liquid = 0.5036E+02 kg liquid = 0.9072E+00 Moles total = 0.5030E+02 kg total = 0.9063E+00 Activity = 0.9992 Stoichiometric ionic strength = .4739952E-01 Osmotic coef. = 0.8899 True ionic strength = .2514124E-01 Chg. balance for total moles = -.5508E-08 Max. difference allowed = 0.3442E-06 Log Log Log Species(n) Molality Molality Activity Activity Gamma Gamma 1 H+ 0.22678E-05 -5.6444 0.18767E-05 -5.7266 0.82752E+00 -0.0822 2 H2O 0.99920E+00 -0.0003 0.99920E+00 -0.0003 3 Cl- 0.37752E-02 -2.4231 0.31016E-02 -2.5084 0.82159E+00 -0.0853 4 SO4-- 0.29239E-02 -2.5340 0.14268E-02 -2.8456 0.48797E+00 -0.3116 5 HCO3- 0.10265E-01 -1.9886 0.84486E-02 -2.0732 0.82302E+00 -0.0846 6 HS- 0.20740E-02 -2.6832 0.17043E-02 -2.7685 0.82173E+00 -0.0853 7 Al+++ 0.69506E-14 -14.1580 0.13934E-14 -14.8559 0.20047E+00 -0.6980 8 H4SiO4 0.10230E-02 -2.9901 0.10230E-02 -2.9901 0.10000E+01 0.0000 9 Ca++ 0.16954E-06 -6.7707 0.82001E-07 -7.0862 0.48368E+00 -0.3154 10 Mg++ 0.81025E-10 -10.0914 0.38977E-10 -10.4092 0.48104E+00 -0.3178 11 Fe++ 0.11425E-13 -13.9422 0.55030E-14 -14.2594 0.48167E+00 -0.3173 12 K+ 0.15229E-03 -3.8173 0.12537E-03 -3.9018 0.82325E+00 -0.0845 13 Na+ 0.22061E-01 -1.6564 0.18121E-01 -1.7418 0.82140E+00 -0.0854 14 Mn++ 0.20469E-08 -8.6889 0.98689E-09 -9.0057 0.48215E+00 -0.3168 15 F- 0.24360E-03 -3.6133 0.19965E-03 -3.6997 0.81958E+00 -0.0864 16 HPO4-- 0.21319E-08 -8.6712 0.10405E-08 -8.9828 0.48805E+00 -0.3115 18 HSiO3- 0.62002E-06 -6.2076 0.50940E-06 -6.2929 0.82159E+00 -0.0853 19 Ca(HSiO3)+ 0.11552E-11 -11.9373 0.95129E-12 -12.0217 0.82346E+00 -0.0844 20 Mg(HSiO3)+ 0.68337E-15 -15.1653 0.56273E-15 -15.2497 0.82346E+00 -0.0844 21 NaHSiO3,aq 0.14930E-06 -6.8260 0.14930E-06 -6.8260 0.10000E+01 0.0000 22 AlO+ 0.65311E-10 -10.1850 0.53781E-10 -10.2694 0.82346E+00 -0.0844 23 AlOH+2 0.10411E-11 -11.9825 0.50256E-12 -12.2988 0.48271E+00 -0.3163 24 HAlO2,aq 0.57026E-08 -8.2439 0.57026E-08 -8.2439 0.10000E+01 0.0000 25 AlO2- 0.82048E-08 -8.0859 0.67265E-08 -8.1722 0.81982E+00 -0.0863 26 CH4,aq 0.99309E-08 -8.0030 0.97951E-08 -8.0090 0.98633E+00 -0.0060 27 C2H6,aq 0.15463E-17 -17.8107 0.15252E-17 -17.8167 0.98633E+00 -0.0060 31 CO,aq 0.91673E-11 -11.0378 0.91673E-11 -11.0378 0.10000E+01 0.0000 32 CO2,aq 0.34376E-01 -1.4637 0.33906E-01 -1.4697 0.98633E+00 -0.0060 33 CO3-2 0.80789E-06 -6.0926 0.39323E-06 -6.4054 0.48673E+00 -0.3127 34 CaCO3,aq 0.40432E-09 -9.3933 0.40432E-09 -9.3933 0.10000E+01 0.0000 35 Ca(HCO3)+ 0.21476E-07 -7.6681 0.17684E-07 -7.7524 0.82346E+00 -0.0844 36 CaCl+ 0.49984E-09 -9.3012 0.41160E-09 -9.3855 0.82346E+00 -0.0844 37 CaCl2,aq 0.30330E-12 -12.5181 0.30330E-12 -12.5181 0.10000E+01 0.0000 38 CaF+ 0.29027E-09 -9.5372 0.23902E-09 -9.6216 0.82346E+00 -0.0844 39 CaOH+ 0.37788E-11 -11.4227 0.31117E-11 -11.5070 0.82346E+00 -0.0844 40 CaSO4,aq 0.37152E-07 -7.4300 0.37152E-07 -7.4300 0.10000E+01 0.0000 41 HCl,aq 0.10666E-08 -8.9720 0.10666E-08 -8.9720 0.10000E+01 0.0000 45 HF,aq 0.25649E-05 -5.5909 0.25649E-05 -5.5909 0.10000E+01 0.0000 46 HF2- 0.21043E-09 -9.6769 0.17289E-09 -9.7622 0.82159E+00 -0.0853 48 FeCl+ 0.32808E-16 -16.4840 0.27016E-16 -16.5684 0.82346E+00 -0.0844 51 FeF+ 0.68180E-16 -16.1663 0.56144E-16 -16.2507 0.82346E+00 -0.0844 53 FeO,aq 0.60680E-19 -19.2170 0.60680E-19 -19.2170 0.10000E+01 0.0000 54 FeOH+ 0.11582E-15 -15.9362 0.95374E-16 -16.0206 0.82346E+00 -0.0844 59 HFeO2,aq 0.30396E-19 -19.5172 0.30396E-19 -19.5172 0.10000E+01 0.0000 60 H2,aq 0.10903E-07 -7.9624 0.10754E-07 -7.9684 0.98633E+00 -0.0060 61 KCl,aq 0.70476E-08 -8.1520 0.70476E-08 -8.1520 0.10000E+01 0.0000 62 KHSO4,aq 0.94911E-12 -12.0227 0.94911E-12 -12.0227 0.10000E+01 0.0000 63 KOH,aq 0.28507E-10 -10.5451 0.28507E-10 -10.5451 0.10000E+01 0.0000 64 KSO4- 0.33784E-05 -5.4713 0.27757E-05 -5.5566 0.82159E+00 -0.0853 65 MgCO3,aq 0.48171E-13 -13.3172 0.48171E-13 -13.3172 0.10000E+01 0.0000 66 Mg(HCO3)+ 0.10430E-10 -10.9817 0.85890E-11 -11.0661 0.82346E+00 -0.0844 67 MgCl+ 0.21533E-12 -12.6669 0.17732E-12 -12.7513 0.82346E+00 -0.0844 68 MgF+ 0.51108E-12 -12.2915 0.42085E-12 -12.3759 0.82346E+00 -0.0844 69 MgOH+ 0.99388E-14 -14.0027 0.81842E-14 -14.0870 0.82346E+00 -0.0844 71 MnF+ 0.40302E-11 -11.3947 0.33187E-11 -11.4790 0.82346E+00 -0.0844 72 MnO,aq 0.28997E-15 -15.5377 0.28997E-15 -15.5377 0.10000E+01 0.0000 73 MnOH+ 0.19296E-11 -11.7145 0.15889E-11 -11.7989 0.82346E+00 -0.0844 78 MnCl+ 0.22890E-10 -10.6403 0.18849E-10 -10.7247 0.82346E+00 -0.0844 79 MnSO4,aq 0.40650E-09 -9.3909 0.40650E-09 -9.3909 0.10000E+01 0.0000 80 NaCl,aq 0.18626E-04 -4.7299 0.18626E-04 -4.7299 0.10000E+01 0.0000 81 NaF,aq 0.84700E-06 -6.0721 0.84700E-06 -6.0721 0.10000E+01 0.0000 82 NaOH,aq 0.41454E-08 -8.3824 0.41454E-08 -8.3824 0.10000E+01 0.0000 84 OH- 0.37524E-06 -6.4257 0.30763E-06 -6.5120 0.81982E+00 -0.0863 89 HPO3-2 0.71701E-19 -19.1445 0.34899E-19 -19.4572 0.48673E+00 -0.3127 91 H2PO3- 0.15986E-18 -18.7963 0.13133E-18 -18.8816 0.82159E+00 -0.0853 92 H3PO4,aq 0.25629E-10 -10.5913 0.25629E-10 -10.5913 0.10000E+01 0.0000 93 H2PO4- 0.43794E-07 -7.3586 0.36021E-07 -7.4434 0.82252E+00 -0.0849 94 PO4-3 0.21282E-14 -14.6720 0.45236E-15 -15.3445 0.21256E+00 -0.6725 96 H3P2O7- 0.71766E-19 -19.1441 0.58962E-19 -19.2294 0.82159E+00 -0.0853 97 H2P2O7-2 0.20919E-15 -15.6795 0.10182E-15 -15.9922 0.48673E+00 -0.3127 98 HP2O7-3 0.53971E-16 -16.2678 0.10834E-16 -16.9652 0.20073E+00 -0.6974 99 P2O7-4 0.22874E-19 -19.6406 0.13791E-20 -20.8604 0.60290E-01 -1.2198 100 H2S,aq 0.10022E-01 -1.9991 0.98847E-02 -2.0050 0.98633E+00 -0.0060 101 S2-2 0.12295E-07 -7.9103 0.59843E-08 -8.2230 0.48673E+00 -0.3127 102 S3-2 0.15225E-07 -7.8174 0.74105E-08 -8.1302 0.48673E+00 -0.3127 103 S3- 0.10941E-06 -6.9609 0.89893E-07 -7.0463 0.82159E+00 -0.0853 104 S4-2 0.12454E-07 -7.9047 0.60618E-08 -8.2174 0.48673E+00 -0.3127 105 S5-2 0.67930E-08 -8.1679 0.33064E-08 -8.4806 0.48673E+00 -0.3127 106 SO2,aq 0.24172E-12 -12.6167 0.24172E-12 -12.6167 0.10000E+01 0.0000 107 SO3-2 0.40303E-11 -11.3947 0.19955E-11 -11.6999 0.49514E+00 -0.3053 108 HSO3- 0.28540E-09 -9.5445 0.23448E-09 -9.6299 0.82159E+00 -0.0853 109 HSO4- 0.31300E-05 -5.5045 0.25804E-05 -5.5883 0.82442E+00 -0.0838 111 S2O3-2 0.34064E-06 -6.4677 0.16580E-06 -6.7804 0.48673E+00 -0.3127 112 HS2O3- 0.67716E-10 -10.1693 0.55635E-10 -10.2547 0.82159E+00 -0.0853 113 H2S2O3,aq 0.16738E-14 -14.7763 0.16738E-14 -14.7763 0.10000E+01 0.0000 121 S4O6-2 0.39250E-17 -17.4062 0.19104E-17 -17.7189 0.48673E+00 -0.3127 Charge balance for all species = -.6071E-08 Component Molality Aq.molality ppm log[A(N)/A(H+)**Z] (total) 1 H+ 0.2267814E-05 0.4440425E-01 0.4459716E+02 0.0000 2 H2O 0.1000000E+01 0.5547387E+02 0.9958134E+06 0.0000 3 Cl- 0.3775158E-02 0.3793793E-02 0.1340215E+03 3.2182 4 SO4-- 0.2923900E-02 0.2930869E-02 0.2805396E+03 8.6076 5 HCO3- 0.1026537E-01 0.4464199E-01 0.2714212E+04 3.6534 6 HS- 0.2073987E-02 0.1209648E-01 0.3986278E+03 2.9582 7 Al+++ 0.6950629E-14 0.1397377E-07 0.3756883E-03 2.3239 8 H4SiO4 0.1022988E-02 0.1023758E-02 0.9804784E+02 -2.9901 9 Ca++ 0.1695353E-06 0.2293625E-06 0.9159598E-02 4.3671 10 Mg++ 0.8102527E-10 0.9224089E-10 0.2234561E-05 1.0440 11 Fe++ 0.1142481E-13 0.1164172E-13 0.6478356E-09 -2.8062 12 K+ 0.1522863E-03 0.1556718E-03 0.6065364E+01 1.8248 13 Na+ 0.2206105E-01 0.2208067E-01 0.5058194E+03 3.9848 14 Mn++ 0.2046876E-08 0.2482226E-08 0.1358821E-03 2.4475 15 F- 0.2435999E-03 0.2470125E-03 0.4676003E+01 2.0269 16 HPO4-- 0.2131932E-08 0.4595130E-07 0.4394627E-02 2.4705 Component Tot moles Aq. moles Solid moles Gas moles 1 H+ 0.4027038E-01 0.4028466E-01 -.1427988E-04 0.0000000E+00 2 H2O 0.5030487E+02 0.5032731E+02 -.2243661E-01 0.0000000E+00 3 Cl- 0.3441825E-02 0.3441825E-02 0.0000000E+00 0.0000000E+00 4 SO4-- 0.2658967E-02 0.2658959E-02 0.8148065E-08 0.0000000E+00 5 HCO3- 0.4050035E-01 0.4050035E-01 0.0000000E+00 0.0000000E+00 6 HS- 0.1097429E-01 0.1097424E-01 0.5703645E-07 0.0000000E+00 7 Al+++ 0.4775352E-05 0.1267736E-07 0.4762675E-05 0.0000000E+00 8 H4SiO4 0.1215302E-01 0.9287789E-03 0.1122424E-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 0.1056166E-13 0.3259226E-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- 0.2240960E-03 0.2240960E-03 0.0000000E+00 0.0000000E+00 16 HPO4-- 0.4168819E-07 0.4168819E-07 0.0000000E+00 0.0000000E+00 Chg. balance for solid moles: -.1046E-20 Mass of aqueous solution: 0.910473E+03 g Temperature = 100.00 C Pressure = 50.00 bar Mixer frac. = 0.5599900 Log Log Vol Gas or mineral Moles Moles Grams Grams Wt.% (cm3) kaolinite 0.2381E-05 -5.623 0.6148E-03 -3.211 0.9112E-01 0.2365E-03 pyrite 0.3259E-07 -7.487 0.3910E-05 -5.408 0.5796E-03 0.7802E-06 quartz 0.1122E-01 -1.950 0.6741 -0.171 99.91 0.2546 Partial press. Fugacity coef Log fugacity Gas or Mineral Mole fraction or activity Activity coef Log activity kaolinite 0.1000E+01 0.1000E+01 1.0000 0.000 pyrite 0.1000E+01 0.1000E+01 1.0000 0.000 quartz 0.1000E+01 0.1000E+01 1.0000 0.000 Solid products produced: Mass = 0.674685 g Volume = 0.254794 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: 0.5599900 moles log = -0.2518 Original solution: 1000.0103000 g Original solution / Rock added: 1785.76 (Water/Rock Ratio), log = 3.2518 Gas composition at saturation ( 2 iterations) ------------------------------------------------- Temperature: 100.0000 deg.C Sat. pressure: 4.9950 bar Gas Mole fraction phi Fugacity Partial P(bar) H2O,gas 0.2094E+00 0.9612 0.1005E+01 0.1046E+01 CO2,gas 0.7352E+00 0.9879 0.3628E+01 0.3672E+01 CH4,gas 0.2865E-05 1.0075 0.1442E-04 0.1431E-04 H2,gas 0.2819E-05 1.0027 0.1412E-04 0.1408E-04 H2S,gas 0.5546E-01 0.9808 0.2717E+00 0.2770E+00 S2,gas 0.2783E-11 1.0000 0.1390E-10 0.1390E-10 CO,gas 0.2735E-08 1.0000 0.1366E-07 0.1366E-07 SO3,gas 0.3807E-30 1.0000 0.1901E-29 0.1901E-29 SO2,gas 0.2093E-12 1.0000 0.1045E-11 0.1045E-11 HF,gas 0.1261E-08 1.0000 0.6298E-08 0.6298E-08 HCl,gas 0.3768E-12 1.0000 0.1882E-11 0.1882E-11 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 101 kaolinite -1.33 -1.33 0.00 0.000 -0.64453E-11 145 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 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 -1.697 0.28971E+04 0.002 2 CO2,gas -6.66 -7.80 -1.14 -0.380 0.19454E+04 0.560 3 CH4,gas 4.54 -2.00 -6.54 -1.635 0.11167E+05 -4.841 4 H2,gas 8.00 1.45 -6.55 -3.742 0.11183E+05 -4.850 5 H2S,gas -6.23 -8.50 -2.26 -1.132 0.38672E+04 -0.566 6 S2,gas -7.34 -19.89 -12.56 -1.932 0.21439E+05 -10.857 7 CO,gas 3.21 -6.35 -9.56 -2.943 0.16329E+05 -7.865 8 SO3,gas 17.12 -14.30 -31.42 -7.855 0.53649E+05 -29.721 9 SO2,gas 0.83 -12.85 -13.68 -3.648 0.23358E+05 -11.981 10 HF,gas 0.47 -9.43 -9.90 -4.950 0.16904E+05 -8.201 11 HCl,gas 5.19 -8.24 -13.42 -6.712 0.22922E+05 -11.725 16 albite-high 0.69 -2.66 -3.35 -0.258 0.57257E+04 17 albite -0.38 -2.66 -2.28 -0.175 0.38869E+04 21 analcite 3.32 0.33 -2.99 -0.333 0.51106E+04 22 andalusite 5.00 1.66 -3.34 -0.334 0.57101E+04 25 anhydrite -5.32 -9.93 -4.62 -2.308 0.78800E+04 38 aragonite 0.97 -3.43 -4.40 -1.466 0.75117E+04 40 calcite 0.81 -3.43 -4.24 -1.415 0.72475E+04 57 coesite -2.38 -2.99 -0.61 -0.204 0.10473E+04 62 corundum 8.38 4.65 -3.74 -0.340 0.63797E+04 64 cristobalite -2.56 -2.99 -0.43 -0.143 0.73267E+03 68 diaspore 2.87 2.32 -0.55 -0.092 0.93992E+03 69 diamond -3.10 -4.90 -1.80 -0.513 0.30652E+04 86 gibbsite 4.08 2.32 -1.76 -0.251 0.29991E+04 89 graphite -3.55 -4.90 -1.35 -0.386 0.23075E+04 98 jadeite 4.22 0.33 -3.89 -0.389 0.66355E+04 102 kyanite 4.88 1.66 -3.22 -0.322 0.54960E+04 119 microcline -2.49 -4.82 -2.33 -0.180 0.39849E+04 123 muscovite 2.58 -0.17 -2.76 -0.162 0.47062E+04 124 paragonite 4.24 1.99 -2.25 -0.133 0.38474E+04 149 pyrophyllite -6.18 -7.31 -1.14 -0.071 0.19388E+04 154 rhodochrosite -0.98 -5.35 -4.38 -1.459 0.74719E+04 156 sanidine -1.28 -4.82 -3.54 -0.273 0.60526E+04 159 sillimanite 5.26 1.66 -3.60 -0.360 0.61540E+04 166 stilbite -7.52 -11.91 -4.39 -0.209 0.75008E+04 172 sulfur -9.15 -9.95 -0.79 -0.244 0.13546E+04 180 topaz-H 4.62 1.66 -2.96 -0.269 0.50566E+04 181 tridymite -2.63 -2.99 -0.36 -0.121 0.61998E+03 196 beidellite-Ca -1.65 -4.84 -3.19 -0.197 0.54502E+04 197 beidellite-H -2.33 -5.56 -3.23 -0.206 0.55184E+04 198 beidellite-K -1.52 -4.96 -3.44 -0.210 0.58664E+04 199 beidellite-Mg -1.79 -5.39 -3.60 -0.222 0.61402E+04 200 beidellite-Na -1.34 -4.24 -2.90 -0.178 0.49532E+04 202 chalcedony -2.80 -2.99 -0.19 -0.062 0.31930E+03 203 dawsonite 1.68 -1.49 -3.17 -0.397 0.54189E+04 204 montmorillonite-Ca -2.29 -7.01 -4.72 -0.292 0.80633E+04 205 montmorillonite-K -2.24 -7.13 -4.89 -0.300 0.83576E+04 207 montmorillonite-Na -2.04 -6.42 -4.38 -0.268 0.74802E+04 214 topaz -16.55 -17.19 -0.65 -0.072 0.11077E+04 218 gypsum -4.96 -9.93 -4.98 -1.244 0.84988E+04 237 boehmite 4.41 2.32 -2.08 -0.347 0.35568E+04 240 fluorite -9.93 -14.49 -4.55 -1.518 0.77774E+04 245 silica-amorphous -2.09 -2.99 -0.90 -0.299 0.15335E+04 247 an20ab80 2.02 -1.52 -3.54 -0.272 0.60429E+04 248 an25ab75 2.65 -1.24 -3.88 -0.299 0.66288E+04 249 an30ab70 3.28 -0.95 -4.23 -0.325 0.72244E+04 Calculations done for 100.0000 Deg. C; 50.0000 bar Next reactant titration increment of: 0.0200000 MOLES Current total amount of reactant added: 0.5599900 MOLES New total amount of reactant added: 0.5799900 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 = 7 Loop limit = 400 Temperature = 100.00 C Pressure = 50.00 bar Mixer fraction = 0.5799900 Water: Moles liquid = 0.5038E+02 kg liquid = 0.9076E+00 Moles total = 0.5032E+02 kg total = 0.9066E+00 Activity = 0.9992 Stoichiometric ionic strength = .4867661E-01 Osmotic coef. = 0.8890 True ionic strength = .2523630E-01 Chg. balance for total moles = -.5508E-08 Max. difference allowed = 0.3560E-06 Log Log Log Species(n) Molality Molality Activity Activity Gamma Gamma 1 H+ 0.24596E-05 -5.6091 0.20348E-05 -5.6915 0.82728E+00 -0.0823 2 H2O 0.99916E+00 -0.0004 0.99916E+00 -0.0004 3 Cl- 0.39032E-02 -2.4086 0.32058E-02 -2.4941 0.82133E+00 -0.0855 4 SO4-- 0.30275E-02 -2.5189 0.14757E-02 -2.8310 0.48744E+00 -0.3121 5 HCO3- 0.99799E-02 -2.0009 0.82112E-02 -2.0856 0.82277E+00 -0.0847 6 HS- 0.20069E-02 -2.6975 0.16486E-02 -2.7829 0.82148E+00 -0.0854 7 Al+++ 0.88823E-14 -14.0515 0.17762E-14 -14.7505 0.19998E+00 -0.6990 8 H4SiO4 0.10229E-02 -2.9902 0.10229E-02 -2.9902 0.10000E+01 0.0000 9 Ca++ 0.16904E-06 -6.7720 0.81668E-07 -7.0879 0.48314E+00 -0.3159 10 Mg++ 0.81246E-10 -10.0902 0.39038E-10 -10.4085 0.48050E+00 -0.3183 11 Fe++ 0.11779E-13 -13.9289 0.56673E-14 -14.2466 0.48113E+00 -0.3177 12 K+ 0.15212E-03 -3.8178 0.12519E-03 -3.9024 0.82300E+00 -0.0846 13 Na+ 0.22052E-01 -1.6565 0.18108E-01 -1.7421 0.82115E+00 -0.0856 14 Mn++ 0.20345E-08 -8.6915 0.97982E-09 -9.0089 0.48160E+00 -0.3173 15 F- 0.25199E-03 -3.5986 0.20646E-03 -3.6852 0.81932E+00 -0.0865 16 HPO4-- 0.19741E-08 -8.7046 0.96240E-09 -9.0166 0.48752E+00 -0.3120 18 HSiO3- 0.57200E-06 -6.2426 0.46980E-06 -6.3281 0.82133E+00 -0.0855 19 Ca(HSiO3)+ 0.10614E-11 -11.9741 0.87378E-12 -12.0586 0.82321E+00 -0.0845 20 Mg(HSiO3)+ 0.63143E-15 -15.1997 0.51980E-15 -15.2842 0.82321E+00 -0.0845 21 NaHSiO3,aq 0.13759E-06 -6.8614 0.13759E-06 -6.8614 0.10000E+01 0.0000 22 AlO+ 0.70840E-10 -10.1497 0.58316E-10 -10.2342 0.82321E+00 -0.0845 23 AlOH+2 0.12254E-11 -11.9117 0.59085E-12 -12.2285 0.48216E+00 -0.3168 24 HAlO2,aq 0.57028E-08 -8.2439 0.57028E-08 -8.2439 0.10000E+01 0.0000 25 AlO2- 0.75698E-08 -8.1209 0.62039E-08 -8.2073 0.81957E+00 -0.0864 26 CH4,aq 0.90295E-08 -8.0443 0.89030E-08 -8.0505 0.98599E+00 -0.0061 27 C2H6,aq 0.13261E-17 -17.8774 0.13075E-17 -17.8836 0.98599E+00 -0.0061 31 CO,aq 0.93102E-11 -11.0310 0.93102E-11 -11.0310 0.10000E+01 0.0000 32 CO2,aq 0.36239E-01 -1.4408 0.35731E-01 -1.4470 0.98599E+00 -0.0061 33 CO3-2 0.72498E-06 -6.1397 0.35248E-06 -6.4529 0.48620E+00 -0.3132 34 CaCO3,aq 0.36095E-09 -9.4426 0.36095E-09 -9.4426 0.10000E+01 0.0000 35 Ca(HCO3)+ 0.20794E-07 -7.6821 0.17118E-07 -7.7666 0.82321E+00 -0.0845 36 CaCl+ 0.51469E-09 -9.2885 0.42370E-09 -9.3729 0.82321E+00 -0.0845 37 CaCl2,aq 0.32270E-12 -12.4912 0.32270E-12 -12.4912 0.10000E+01 0.0000 38 CaF+ 0.29904E-09 -9.5243 0.24617E-09 -9.6088 0.82321E+00 -0.0845 39 CaOH+ 0.34719E-11 -11.4594 0.28581E-11 -11.5439 0.82321E+00 -0.0845 40 CaSO4,aq 0.38271E-07 -7.4171 0.38271E-07 -7.4171 0.10000E+01 0.0000 41 HCl,aq 0.11953E-08 -8.9225 0.11953E-08 -8.9225 0.10000E+01 0.0000 45 HF,aq 0.28758E-05 -5.5412 0.28758E-05 -5.5412 0.10000E+01 0.0000 46 HF2- 0.24407E-09 -9.6125 0.20046E-09 -9.6980 0.82133E+00 -0.0855 48 FeCl+ 0.34933E-16 -16.4568 0.28758E-16 -16.5412 0.82321E+00 -0.0845 51 FeF+ 0.72633E-16 -16.1389 0.59792E-16 -16.2234 0.82321E+00 -0.0845 53 FeO,aq 0.53156E-19 -19.2744 0.53156E-19 -19.2744 0.10000E+01 0.0000 54 FeOH+ 0.11004E-15 -15.9584 0.90586E-16 -16.0429 0.82321E+00 -0.0845 59 HFeO2,aq 0.27123E-19 -19.5667 0.27123E-19 -19.5667 0.10000E+01 0.0000 60 H2,aq 0.10511E-07 -7.9784 0.10364E-07 -7.9845 0.98599E+00 -0.0061 61 KCl,aq 0.72741E-08 -8.1382 0.72741E-08 -8.1382 0.10000E+01 0.0000 62 KHSO4,aq 0.10629E-11 -11.9735 0.10629E-11 -11.9735 0.10000E+01 0.0000 63 KOH,aq 0.26254E-10 -10.5808 0.26254E-10 -10.5808 0.10000E+01 0.0000 64 KSO4- 0.34905E-05 -5.4571 0.28669E-05 -5.5426 0.82133E+00 -0.0855 65 MgCO3,aq 0.43248E-13 -13.3640 0.43248E-13 -13.3640 0.10000E+01 0.0000 66 Mg(HCO3)+ 0.10156E-10 -10.9933 0.83609E-11 -11.0777 0.82321E+00 -0.0845 67 MgCl+ 0.22298E-12 -12.6517 0.18356E-12 -12.7362 0.82321E+00 -0.0845 68 MgF+ 0.52951E-12 -12.2761 0.43590E-12 -12.3606 0.82321E+00 -0.0845 69 MgOH+ 0.91834E-14 -14.0370 0.75599E-14 -14.1215 0.82321E+00 -0.0845 71 MnF+ 0.41390E-11 -11.3831 0.34073E-11 -11.4676 0.82321E+00 -0.0845 72 MnO,aq 0.24488E-15 -15.6111 0.24488E-15 -15.6111 0.10000E+01 0.0000 73 MnOH+ 0.17673E-11 -11.7527 0.14549E-11 -11.8372 0.82321E+00 -0.0845 78 MnCl+ 0.23497E-10 -10.6290 0.19343E-10 -10.7135 0.82321E+00 -0.0845 79 MnSO4,aq 0.41743E-09 -9.3794 0.41743E-09 -9.3794 0.10000E+01 0.0000 80 NaCl,aq 0.19239E-04 -4.7158 0.19239E-04 -4.7158 0.10000E+01 0.0000 81 NaF,aq 0.87527E-06 -6.0579 0.87527E-06 -6.0579 0.10000E+01 0.0000 82 NaOH,aq 0.38204E-08 -8.4179 0.38204E-08 -8.4179 0.10000E+01 0.0000 84 OH- 0.34617E-06 -6.4607 0.28371E-06 -6.5471 0.81957E+00 -0.0864 89 HPO3-2 0.63983E-19 -19.1939 0.31109E-19 -19.5071 0.48620E+00 -0.3132 91 H2PO3- 0.15454E-18 -18.8109 0.12693E-18 -18.8964 0.82133E+00 -0.0855 92 H3PO4,aq 0.27868E-10 -10.5549 0.27868E-10 -10.5549 0.10000E+01 0.0000 93 H2PO4- 0.43933E-07 -7.3572 0.36124E-07 -7.4422 0.82227E+00 -0.0850 94 PO4-3 0.18197E-14 -14.7400 0.38590E-15 -15.4135 0.21207E+00 -0.6735 96 H3P2O7- 0.78287E-19 -19.1063 0.64300E-19 -19.1918 0.82133E+00 -0.0855 97 H2P2O7-2 0.21063E-15 -15.6765 0.10241E-15 -15.9897 0.48620E+00 -0.3132 98 HP2O7-3 0.50189E-16 -16.2994 0.10050E-16 -16.9978 0.20024E+00 -0.6985 99 P2O7-4 0.19654E-19 -19.7066 0.11799E-20 -20.9281 0.60035E-01 -1.2216 100 H2S,aq 0.10515E-01 -1.9782 0.10367E-01 -1.9843 0.98599E+00 -0.0061 101 S2-2 0.11952E-07 -7.9226 0.58108E-08 -8.2358 0.48620E+00 -0.3132 102 S3-2 0.16108E-07 -7.7930 0.78315E-08 -8.1062 0.48620E+00 -0.3132 103 S3- 0.12775E-06 -6.8936 0.10493E-06 -6.9791 0.82133E+00 -0.0855 104 S4-2 0.14340E-07 -7.8434 0.69722E-08 -8.1566 0.48620E+00 -0.3132 105 S5-2 0.85131E-08 -8.0699 0.41390E-08 -8.3831 0.48620E+00 -0.3132 106 SO2,aq 0.28327E-12 -12.5478 0.28327E-12 -12.5478 0.10000E+01 0.0000 107 SO3-2 0.40216E-11 -11.3956 0.19891E-11 -11.7013 0.49462E+00 -0.3057 108 HSO3- 0.30854E-09 -9.5107 0.25342E-09 -9.5962 0.82133E+00 -0.0855 109 HSO4- 0.35111E-05 -5.4546 0.28938E-05 -5.5385 0.82418E+00 -0.0840 111 S2O3-2 0.36996E-06 -6.4319 0.17987E-06 -6.7450 0.48620E+00 -0.3132 112 HS2O3- 0.79676E-10 -10.0987 0.65441E-10 -10.1842 0.82133E+00 -0.0855 113 H2S2O3,aq 0.21347E-14 -14.6707 0.21347E-14 -14.6707 0.10000E+01 0.0000 121 S4O6-2 0.56415E-17 -17.2486 0.27429E-17 -17.5618 0.48620E+00 -0.3132 Charge balance for all species = -.6069E-08 Component Molality Aq.molality ppm log[A(N)/A(H+)**Z] (total) 1 H+ 0.2459579E-05 0.4676119E-01 0.4695995E+02 0.0000 2 H2O 0.1000000E+01 0.5547201E+02 0.9956870E+06 0.0000 3 Cl- 0.3903204E-02 0.3922452E-02 0.1385537E+03 3.1974 4 SO4-- 0.3027537E-02 0.3035046E-02 0.2904842E+03 8.5520 5 HCO3- 0.9979933E-02 0.4621927E-01 0.2809848E+04 3.6059 6 HS- 0.2006853E-02 0.1252242E-01 0.4126256E+03 2.9086 7 Al+++ 0.8882301E-14 0.1334462E-07 0.3587399E-03 2.3240 8 H4SiO4 0.1022901E-02 0.1023611E-02 0.9802466E+02 -2.9902 9 Ca++ 0.1690363E-06 0.2292802E-06 0.9155457E-02 4.2950 10 Mg++ 0.8124581E-10 0.9220779E-10 0.2233550E-05 0.9745 11 Fe++ 0.1177929E-13 0.1199698E-13 0.6675432E-09 -2.8636 12 K+ 0.1521181E-03 0.1556159E-03 0.6062621E+01 1.7891 13 Na+ 0.2205250E-01 0.2207275E-01 0.5055907E+03 3.9494 14 Mn++ 0.2034499E-08 0.2481336E-08 0.1358207E-03 2.3741 15 F- 0.2519869E-03 0.2557388E-03 0.4840742E+01 2.0063 16 HPO4-- 0.1974081E-08 0.4593481E-07 0.4392640E-02 2.3663 Component Tot moles Aq. moles Solid moles Gas moles 1 H+ 0.4242388E-01 0.4243816E-01 -.1428158E-04 0.0000000E+00 2 H2O 0.5032125E+02 0.5034368E+02 -.2243621E-01 0.0000000E+00 3 Cl- 0.3559825E-02 0.3559825E-02 0.0000000E+00 0.0000000E+00 4 SO4-- 0.2754467E-02 0.2754459E-02 0.8148065E-08 0.0000000E+00 5 HCO3- 0.4194635E-01 0.4194635E-01 0.0000000E+00 0.0000000E+00 6 HS- 0.1136479E-01 0.1136474E-01 0.5703645E-07 0.0000000E+00 7 Al+++ 0.4775352E-05 0.1211092E-07 0.4763241E-05 0.0000000E+00 8 H4SiO4 0.1215302E-01 0.9289793E-03 0.1122404E-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 0.1088788E-13 0.3259226E-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- 0.2320960E-03 0.2320960E-03 0.0000000E+00 0.0000000E+00 16 HPO4-- 0.4168819E-07 0.4168819E-07 0.0000000E+00 0.0000000E+00 Chg. balance for solid moles: -.4368E-21 Mass of aqueous solution: 0.910885E+03 g Temperature = 100.00 C Pressure = 50.00 bar Mixer frac. = 0.5799900 Log Log Vol Gas or mineral Moles Moles Grams Grams Wt.% (cm3) kaolinite 0.2382E-05 -5.623 0.6148E-03 -3.211 0.9113E-01 0.2366E-03 pyrite 0.3259E-07 -7.487 0.3910E-05 -5.408 0.5796E-03 0.7802E-06 quartz 0.1122E-01 -1.950 0.6741 -0.171 99.91 0.2546 Partial press. Fugacity coef Log fugacity Gas or Mineral Mole fraction or activity Activity coef Log activity kaolinite 0.1000E+01 0.1000E+01 1.0000 0.000 pyrite 0.1000E+01 0.1000E+01 1.0000 0.000 quartz 0.1000E+01 0.1000E+01 1.0000 0.000 Solid products produced: Mass = 0.674673 g Volume = 0.254790 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: 0.5799900 moles log = -0.2366 Original solution: 1000.0103000 g Original solution / Rock added: 1724.19 (Water/Rock Ratio), log = 3.2366 Gas composition at saturation ( 2 iterations) ------------------------------------------------- Temperature: 100.0000 deg.C Sat. pressure: 5.2102 bar Gas Mole fraction phi Fugacity Partial P(bar) H2O,gas 0.2009E+00 0.9602 0.1005E+01 0.1047E+01 CO2,gas 0.7433E+00 0.9871 0.3823E+01 0.3873E+01 CH4,gas 0.2496E-05 1.0075 0.1310E-04 0.1301E-04 H2,gas 0.2604E-05 1.0028 0.1361E-04 0.1357E-04 H2S,gas 0.5582E-01 0.9800 0.2850E+00 0.2908E+00 S2,gas 0.3161E-11 1.0000 0.1647E-10 0.1647E-10 CO,gas 0.2663E-08 1.0000 0.1387E-07 0.1387E-07 SO3,gas 0.4438E-30 1.0000 0.2312E-29 0.2312E-29 SO2,gas 0.2351E-12 1.0000 0.1225E-11 0.1225E-11 HF,gas 0.1355E-08 1.0000 0.7061E-08 0.7061E-08 HCl,gas 0.4048E-12 1.0000 0.2109E-11 0.2109E-11 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 101 kaolinite -1.33 -1.33 0.00 0.000 -0.64453E-11 145 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 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 -1.697 0.28972E+04 0.002 2 CO2,gas -6.66 -7.78 -1.12 -0.372 0.19065E+04 0.582 3 CH4,gas 4.54 -2.04 -6.58 -1.645 0.11238E+05 -4.883 4 H2,gas 8.00 1.43 -6.57 -3.752 0.11210E+05 -4.866 5 H2S,gas -6.23 -8.47 -2.24 -1.122 0.38318E+04 -0.545 6 S2,gas -7.34 -19.82 -12.48 -1.920 0.21313E+05 -10.783 7 CO,gas 3.21 -6.34 -9.56 -2.941 0.16318E+05 -7.858 8 SO3,gas 17.12 -14.21 -31.33 -7.834 0.53504E+05 -29.636 9 SO2,gas 0.83 -12.78 -13.61 -3.630 0.23240E+05 -11.912 10 HF,gas 0.47 -9.38 -9.85 -4.925 0.16819E+05 -8.151 11 HCl,gas 5.19 -8.19 -13.37 -6.687 0.22837E+05 -11.676 16 albite-high 0.69 -2.70 -3.39 -0.261 0.57862E+04 17 albite -0.38 -2.70 -2.31 -0.178 0.39474E+04 21 analcite 3.32 0.29 -3.03 -0.336 0.51711E+04 22 andalusite 5.00 1.66 -3.34 -0.334 0.57100E+04 25 anhydrite -5.32 -9.92 -4.60 -2.301 0.78580E+04 38 aragonite 0.97 -3.48 -4.45 -1.483 0.75958E+04 40 calcite 0.81 -3.48 -4.29 -1.431 0.73316E+04 57 coesite -2.38 -2.99 -0.61 -0.204 0.10473E+04 62 corundum 8.38 4.65 -3.74 -0.340 0.63796E+04 64 cristobalite -2.56 -2.99 -0.43 -0.143 0.73267E+03 68 diaspore 2.87 2.32 -0.55 -0.092 0.93990E+03 69 diamond -3.10 -4.91 -1.80 -0.516 0.30812E+04 86 gibbsite 4.08 2.32 -1.76 -0.251 0.29991E+04 89 graphite -3.55 -4.91 -1.36 -0.389 0.23234E+04 98 jadeite 4.22 0.29 -3.92 -0.392 0.66959E+04 102 kyanite 4.88 1.66 -3.22 -0.322 0.54959E+04 119 microcline -2.49 -4.86 -2.37 -0.182 0.40459E+04 123 muscovite 2.58 -0.21 -2.79 -0.164 0.47672E+04 124 paragonite 4.24 1.95 -2.29 -0.135 0.39078E+04 149 pyrophyllite -6.18 -7.31 -1.14 -0.071 0.19388E+04 154 rhodochrosite -0.98 -5.40 -4.43 -1.476 0.75584E+04 156 sanidine -1.28 -4.86 -3.58 -0.275 0.61136E+04 159 sillimanite 5.26 1.66 -3.60 -0.360 0.61539E+04 166 stilbite -7.52 -11.99 -4.47 -0.213 0.76240E+04 172 sulfur -9.15 -9.91 -0.76 -0.233 0.12918E+04 180 topaz-H 4.62 1.66 -2.96 -0.269 0.50566E+04 181 tridymite -2.63 -2.99 -0.36 -0.121 0.61998E+03 196 beidellite-Ca -1.65 -4.85 -3.20 -0.198 0.54704E+04 197 beidellite-H -2.33 -5.56 -3.23 -0.206 0.55183E+04 198 beidellite-K -1.52 -4.97 -3.45 -0.211 0.58865E+04 199 beidellite-Mg -1.79 -5.40 -3.61 -0.223 0.61598E+04 200 beidellite-Na -1.34 -4.25 -2.91 -0.178 0.49731E+04 202 chalcedony -2.80 -2.99 -0.19 -0.062 0.31930E+03 203 dawsonite 1.68 -1.50 -3.19 -0.398 0.54405E+04 204 montmorillonite-Ca -2.29 -7.05 -4.76 -0.294 0.81228E+04 205 montmorillonite-K -2.24 -7.17 -4.93 -0.302 0.84170E+04 207 montmorillonite-Na -2.04 -6.45 -4.42 -0.270 0.75394E+04 214 topaz -16.55 -17.10 -0.55 -0.061 0.93791E+03 218 gypsum -4.96 -9.92 -4.96 -1.241 0.84769E+04 237 boehmite 4.41 2.32 -2.08 -0.347 0.35568E+04 240 fluorite -9.93 -14.46 -4.53 -1.509 0.77307E+04 245 silica-amorphous -2.09 -2.99 -0.90 -0.299 0.15335E+04 247 an20ab80 2.02 -1.56 -3.58 -0.276 0.61159E+04 248 an25ab75 2.65 -1.28 -3.93 -0.302 0.67049E+04 249 an30ab70 3.28 -1.00 -4.28 -0.329 0.73036E+04 Calculations done for 100.0000 Deg. C; 50.0000 bar Next reactant titration increment of: 0.0200000 MOLES Current total amount of reactant added: 0.5799900 MOLES New total amount of reactant added: 0.5999900 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 = 7 Loop limit = 400 Temperature = 100.00 C Pressure = 50.00 bar Mixer fraction = 0.5999900 Water: Moles liquid = 0.5039E+02 kg liquid = 0.9079E+00 Moles total = 0.5034E+02 kg total = 0.9068E+00 Activity = 0.9991 Stoichiometric ionic strength = .4995287E-01 Osmotic coef. = 0.8881 True ionic strength = .2533127E-01 Chg. balance for total moles = -.5508E-08 Max. difference allowed = 0.3678E-06 Log Log Log Species(n) Molality Molality Activity Activity Gamma Gamma 1 H+ 0.26629E-05 -5.5746 0.22023E-05 -5.6571 0.82704E+00 -0.0825 2 H2O 0.99912E+00 -0.0004 0.99912E+00 -0.0004 3 Cl- 0.40312E-02 -2.3946 0.33099E-02 -2.4802 0.82108E+00 -0.0856 4 SO4-- 0.31311E-02 -2.5043 0.15245E-02 -2.8169 0.48690E+00 -0.3126 5 HCO3- 0.96937E-02 -2.0135 0.79733E-02 -2.0984 0.82252E+00 -0.0849 6 HS- 0.19408E-02 -2.7120 0.15938E-02 -2.7976 0.82123E+00 -0.0855 7 Al+++ 0.11291E-13 -13.9473 0.22524E-14 -14.6474 0.19949E+00 -0.7001 8 H4SiO4 0.10228E-02 -2.9902 0.10228E-02 -2.9902 0.10000E+01 0.0000 9 Ca++ 0.16854E-06 -6.7733 0.81338E-07 -7.0897 0.48260E+00 -0.3164 10 Mg++ 0.81467E-10 -10.0890 0.39100E-10 -10.4078 0.47995E+00 -0.3188 11 Fe++ 0.12166E-13 -13.9149 0.58467E-14 -14.2331 0.48058E+00 -0.3182 12 K+ 0.15195E-03 -3.8183 0.12502E-03 -3.9030 0.82275E+00 -0.0847 13 Na+ 0.22044E-01 -1.6567 0.18096E-01 -1.7424 0.82089E+00 -0.0857 14 Mn++ 0.20223E-08 -8.6942 0.97285E-09 -9.0120 0.48106E+00 -0.3178 15 F- 0.26034E-03 -3.5845 0.21323E-03 -3.6711 0.81906E+00 -0.0867 16 HPO4-- 0.18305E-08 -8.7374 0.89144E-09 -9.0499 0.48699E+00 -0.3125 18 HSiO3- 0.52862E-06 -6.2769 0.43404E-06 -6.3625 0.82108E+00 -0.0856 19 Ca(HSiO3)+ 0.97696E-12 -12.0101 0.80401E-12 -12.0947 0.82296E+00 -0.0846 20 Mg(HSiO3)+ 0.58447E-15 -15.2332 0.48100E-15 -15.3179 0.82296E+00 -0.0846 21 NaHSiO3,aq 0.12703E-06 -6.8961 0.12703E-06 -6.8961 0.10000E+01 0.0000 22 AlO+ 0.76701E-10 -10.1152 0.63122E-10 -10.1998 0.82296E+00 -0.0846 23 AlOH+2 0.14372E-11 -11.8425 0.69221E-12 -12.1598 0.48162E+00 -0.3173 24 HAlO2,aq 0.57029E-08 -8.2439 0.57029E-08 -8.2439 0.10000E+01 0.0000 25 AlO2- 0.69962E-08 -8.1551 0.57321E-08 -8.2417 0.81931E+00 -0.0866 26 CH4,aq 0.82078E-08 -8.0858 0.80900E-08 -8.0920 0.98565E+00 -0.0063 27 C2H6,aq 0.11359E-17 -17.9446 0.11196E-17 -17.9509 0.98565E+00 -0.0063 31 CO,aq 0.94359E-11 -11.0252 0.94359E-11 -11.0252 0.10000E+01 0.0000 32 CO2,aq 0.38101E-01 -1.4191 0.37554E-01 -1.4253 0.98565E+00 -0.0063 33 CO3-2 0.65113E-06 -6.1863 0.31623E-06 -6.5000 0.48567E+00 -0.3137 34 CaCO3,aq 0.32252E-09 -9.4914 0.32252E-09 -9.4914 0.10000E+01 0.0000 35 Ca(HCO3)+ 0.20116E-07 -7.6965 0.16555E-07 -7.7811 0.82296E+00 -0.0846 36 CaCl+ 0.52941E-09 -9.2762 0.43569E-09 -9.3608 0.82296E+00 -0.0846 37 CaCl2,aq 0.34261E-12 -12.4652 0.34261E-12 -12.4652 0.10000E+01 0.0000 38 CaF+ 0.30770E-09 -9.5119 0.25323E-09 -9.5965 0.82296E+00 -0.0846 39 CaOH+ 0.31956E-11 -11.4954 0.26299E-11 -11.5801 0.82296E+00 -0.0846 40 CaSO4,aq 0.39377E-07 -7.4048 0.39377E-07 -7.4048 0.10000E+01 0.0000 41 HCl,aq 0.13358E-08 -8.8743 0.13358E-08 -8.8743 0.10000E+01 0.0000 45 HF,aq 0.32148E-05 -5.4928 0.32148E-05 -5.4928 0.10000E+01 0.0000 46 HF2- 0.28188E-09 -9.5499 0.23144E-09 -9.6356 0.82108E+00 -0.0856 48 FeCl+ 0.37220E-16 -16.4292 0.30631E-16 -16.5138 0.82296E+00 -0.0846 51 FeF+ 0.77414E-16 -16.1112 0.63709E-16 -16.1958 0.82296E+00 -0.0846 53 FeO,aq 0.46809E-19 -19.3297 0.46809E-19 -19.3297 0.10000E+01 0.0000 54 FeOH+ 0.10491E-15 -15.9792 0.86340E-16 -16.0638 0.82296E+00 -0.0846 59 HFeO2,aq 0.24322E-19 -19.6140 0.24322E-19 -19.6140 0.10000E+01 0.0000 60 H2,aq 0.10139E-07 -7.9940 0.99932E-08 -8.0003 0.98565E+00 -0.0063 61 KCl,aq 0.74998E-08 -8.1250 0.74998E-08 -8.1250 0.10000E+01 0.0000 62 KHSO4,aq 0.11868E-11 -11.9256 0.11868E-11 -11.9256 0.10000E+01 0.0000 63 KOH,aq 0.24221E-10 -10.6158 0.24221E-10 -10.6158 0.10000E+01 0.0000 64 KSO4- 0.36020E-05 -5.4435 0.29575E-05 -5.5291 0.82108E+00 -0.0856 65 MgCO3,aq 0.38862E-13 -13.4105 0.38862E-13 -13.4105 0.10000E+01 0.0000 66 Mg(HCO3)+ 0.98809E-11 -11.0052 0.81316E-11 -11.0898 0.82296E+00 -0.0846 67 MgCl+ 0.23066E-12 -12.6370 0.18982E-12 -12.7216 0.82296E+00 -0.0846 68 MgF+ 0.54792E-12 -12.2613 0.45092E-12 -12.3459 0.82296E+00 -0.0846 69 MgOH+ 0.85004E-14 -14.0706 0.69956E-14 -14.1552 0.82296E+00 -0.0846 71 MnF+ 0.42458E-11 -11.3720 0.34941E-11 -11.4567 0.82296E+00 -0.0846 72 MnO,aq 0.20754E-15 -15.6829 0.20754E-15 -15.6829 0.10000E+01 0.0000 73 MnOH+ 0.16217E-11 -11.7900 0.13346E-11 -11.8746 0.82296E+00 -0.0846 78 MnCl+ 0.24095E-10 -10.6181 0.19829E-10 -10.7027 0.82296E+00 -0.0846 79 MnSO4,aq 0.42817E-09 -9.3684 0.42817E-09 -9.3684 0.10000E+01 0.0000 80 NaCl,aq 0.19849E-04 -4.7023 0.19849E-04 -4.7023 0.10000E+01 0.0000 81 NaF,aq 0.90338E-06 -6.0441 0.90338E-06 -6.0441 0.10000E+01 0.0000 82 NaOH,aq 0.35272E-08 -8.4526 0.35272E-08 -8.4526 0.10000E+01 0.0000 84 OH- 0.31992E-06 -6.4950 0.26212E-06 -6.5815 0.81931E+00 -0.0866 89 HPO3-2 0.57212E-19 -19.2425 0.27786E-19 -19.5562 0.48567E+00 -0.3137 91 H2PO3- 0.14945E-18 -18.8255 0.12271E-18 -18.9111 0.82108E+00 -0.0856 92 H3PO4,aq 0.30239E-10 -10.5194 0.30239E-10 -10.5194 0.10000E+01 0.0000 93 H2PO4- 0.44058E-07 -7.3560 0.36216E-07 -7.4411 0.82202E+00 -0.0851 94 PO4-3 0.15608E-14 -14.8067 0.33025E-15 -15.4812 0.21159E+00 -0.6745 96 H3P2O7- 0.85193E-19 -19.0696 0.69951E-19 -19.1552 0.82108E+00 -0.0856 97 H2P2O7-2 0.21194E-15 -15.6738 0.10293E-15 -15.9874 0.48567E+00 -0.3137 98 HP2O7-3 0.46722E-16 -16.3305 0.93327E-17 -17.0300 0.19975E+00 -0.6995 99 P2O7-4 0.16934E-19 -19.7712 0.10124E-20 -20.9947 0.59781E-01 -1.2234 100 H2S,aq 0.11006E-01 -1.9584 0.10848E-01 -1.9646 0.98565E+00 -0.0063 101 S2-2 0.11598E-07 -7.9356 0.56326E-08 -8.2493 0.48567E+00 -0.3137 102 S3-2 0.16962E-07 -7.7705 0.82379E-08 -8.0842 0.48567E+00 -0.3137 103 S3- 0.14816E-06 -6.8293 0.12165E-06 -6.9149 0.82108E+00 -0.0856 104 S4-2 0.16388E-07 -7.7855 0.79588E-08 -8.0992 0.48567E+00 -0.3137 105 S5-2 0.10557E-07 -7.9765 0.51272E-08 -8.2901 0.48567E+00 -0.3137 106 SO2,aq 0.33058E-12 -12.4807 0.33058E-12 -12.4807 0.10000E+01 0.0000 107 SO3-2 0.40104E-11 -11.3968 0.19815E-11 -11.7030 0.49410E+00 -0.3062 108 HSO3- 0.33278E-09 -9.4778 0.27324E-09 -9.5635 0.82108E+00 -0.0856 109 HSO4- 0.39271E-05 -5.4059 0.32357E-05 -5.4900 0.82393E+00 -0.0841 111 S2O3-2 0.40038E-06 -6.3975 0.19445E-06 -6.7112 0.48567E+00 -0.3137 112 HS2O3- 0.93254E-10 -10.0303 0.76569E-10 -10.1159 0.82108E+00 -0.0856 113 H2S2O3,aq 0.27033E-14 -14.5681 0.27033E-14 -14.5681 0.10000E+01 0.0000 121 S4O6-2 0.80186E-17 -17.0959 0.38943E-17 -17.4096 0.48567E+00 -0.3137 Charge balance for all species = -.6066E-08 Component Molality Aq.molality ppm log[A(N)/A(H+)**Z] (total) 1 H+ 0.2662873E-05 0.4911643E-01 0.4932061E+02 0.0000 2 H2O 0.1000000E+01 0.5547015E+02 0.9955607E+06 0.0000 3 Cl- 0.4031159E-02 0.4051018E-02 0.1430817E+03 3.1769 4 SO4-- 0.3131062E-02 0.3139148E-02 0.3004198E+03 8.4974 5 HCO3- 0.9693727E-02 0.4779542E-01 0.2905397E+04 3.5588 6 HS- 0.1940788E-02 0.1294805E-01 0.4266109E+03 2.8596 7 Al+++ 0.1129102E-13 0.1277725E-07 0.3434554E-03 2.3240 8 H4SiO4 0.1022815E-02 0.1023470E-02 0.9800206E+02 -2.9902 9 Ca++ 0.1685416E-06 0.2291980E-06 0.9151320E-02 4.2245 10 Mg++ 0.8146734E-10 0.9217472E-10 0.2232541E-05 0.9064 11 Fe++ 0.1216580E-13 0.1238542E-13 0.6890925E-09 -2.9188 12 K+ 0.1519506E-03 0.1555601E-03 0.6059882E+01 1.7541 13 Na+ 0.2204395E-01 0.2206483E-01 0.5053623E+03 3.9147 14 Mn++ 0.2022312E-08 0.2480446E-08 0.1357593E-03 2.3023 15 F- 0.2603398E-03 0.2644588E-03 0.5005332E+01 1.9860 16 HPO4-- 0.1830511E-08 0.4591834E-07 0.4390655E-02 2.2643 Component Tot moles Aq. moles Solid moles Gas moles 1 H+ 0.4457738E-01 0.4459167E-01 -.1428311E-04 0.0000000E+00 2 H2O 0.5033762E+02 0.5036006E+02 -.2243579E-01 0.0000000E+00 3 Cl- 0.3677825E-02 0.3677825E-02 0.0000000E+00 0.0000000E+00 4 SO4-- 0.2849967E-02 0.2849959E-02 0.8148065E-08 0.0000000E+00 5 HCO3- 0.4339235E-01 0.4339235E-01 0.0000000E+00 0.0000000E+00 6 HS- 0.1175529E-01 0.1175524E-01 0.5703645E-07 0.0000000E+00 7 Al+++ 0.4775352E-05 0.1160016E-07 0.4763752E-05 0.0000000E+00 8 H4SiO4 0.1215302E-01 0.9291850E-03 0.1122384E-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 0.1124443E-13 0.3259226E-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- 0.2400960E-03 0.2400960E-03 0.0000000E+00 0.0000000E+00 16 HPO4-- 0.4168819E-07 0.4168819E-07 0.0000000E+00 0.0000000E+00 Chg. balance for solid moles: -.3176E-21 Mass of aqueous solution: 0.911297E+03 g Temperature = 100.00 C Pressure = 50.00 bar Mixer frac. = 0.5999900 Log Log Vol Gas or mineral Moles Moles Grams Grams Wt.% (cm3) kaolinite 0.2382E-05 -5.623 0.6149E-03 -3.211 0.9114E-01 0.2366E-03 pyrite 0.3259E-07 -7.487 0.3910E-05 -5.408 0.5796E-03 0.7802E-06 quartz 0.1122E-01 -1.950 0.6740 -0.171 99.91 0.2545 Partial press. Fugacity coef Log fugacity Gas or Mineral Mole fraction or activity Activity coef Log activity kaolinite 0.1000E+01 0.1000E+01 1.0000 0.000 pyrite 0.1000E+01 0.1000E+01 1.0000 0.000 quartz 0.1000E+01 0.1000E+01 1.0000 0.000 Solid products produced: Mass = 0.674661 g Volume = 0.254785 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: 0.5999900 moles log = -0.2219 Original solution: 1000.0103000 g Original solution / Rock added: 1666.71 (Water/Rock Ratio), log = 3.2219 Gas composition at saturation ( 2 iterations) ------------------------------------------------- Temperature: 100.0000 deg.C Sat. pressure: 5.4255 bar Gas Mole fraction phi Fugacity Partial P(bar) H2O,gas 0.1931E+00 0.9592 0.1005E+01 0.1048E+01 CO2,gas 0.7507E+00 0.9864 0.4018E+01 0.4073E+01 CH4,gas 0.2178E-05 1.0076 0.1191E-04 0.1182E-04 H2,gas 0.2411E-05 1.0029 0.1312E-04 0.1308E-04 H2S,gas 0.5613E-01 0.9792 0.2982E+00 0.3046E+00 S2,gas 0.3574E-11 1.0000 0.1939E-10 0.1939E-10 CO,gas 0.2592E-08 1.0000 0.1406E-07 0.1406E-07 SO3,gas 0.5158E-30 1.0000 0.2798E-29 0.2798E-29 SO2,gas 0.2635E-12 1.0000 0.1430E-11 0.1430E-11 HF,gas 0.1455E-08 1.0000 0.7893E-08 0.7893E-08 HCl,gas 0.4344E-12 1.0000 0.2357E-11 0.2357E-11 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 101 kaolinite -1.33 -1.33 0.00 0.000 0.56870E-11 145 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 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 -1.697 0.28972E+04 0.002 2 CO2,gas -6.66 -7.76 -1.09 -0.365 0.18696E+04 0.604 3 CH4,gas 4.54 -2.08 -6.62 -1.656 0.11309E+05 -4.924 4 H2,gas 8.00 1.42 -6.58 -3.761 0.11237E+05 -4.882 5 H2S,gas -6.23 -8.45 -2.22 -1.112 0.37982E+04 -0.525 6 S2,gas -7.34 -19.75 -12.41 -1.909 0.21192E+05 -10.712 7 CO,gas 3.21 -6.34 -9.55 -2.939 0.16308E+05 -7.852 8 SO3,gas 17.12 -14.13 -31.25 -7.813 0.53362E+05 -29.553 9 SO2,gas 0.83 -12.71 -13.54 -3.612 0.23126E+05 -11.845 10 HF,gas 0.47 -9.33 -9.80 -4.901 0.16736E+05 -8.103 11 HCl,gas 5.19 -8.14 -13.33 -6.663 0.22755E+05 -11.628 16 albite-high 0.69 -2.73 -3.42 -0.263 0.58454E+04 17 albite -0.38 -2.73 -2.35 -0.180 0.40066E+04 21 analcite 3.32 0.26 -3.06 -0.340 0.52303E+04 22 andalusite 5.00 1.66 -3.34 -0.334 0.57099E+04 25 anhydrite -5.32 -9.91 -4.59 -2.295 0.78369E+04 38 aragonite 0.97 -3.53 -4.50 -1.499 0.76793E+04 40 calcite 0.81 -3.53 -4.34 -1.448 0.74151E+04 57 coesite -2.38 -2.99 -0.61 -0.204 0.10473E+04 62 corundum 8.38 4.65 -3.74 -0.340 0.63795E+04 64 cristobalite -2.56 -2.99 -0.43 -0.143 0.73267E+03 68 diaspore 2.87 2.32 -0.55 -0.092 0.93989E+03 69 diamond -3.10 -4.92 -1.81 -0.518 0.30982E+04 86 gibbsite 4.08 2.32 -1.76 -0.251 0.29991E+04 89 graphite -3.55 -4.92 -1.37 -0.392 0.23404E+04 98 jadeite 4.22 0.26 -3.96 -0.396 0.67551E+04 102 kyanite 4.88 1.66 -3.22 -0.322 0.54958E+04 119 microcline -2.49 -4.89 -2.40 -0.185 0.41056E+04 123 muscovite 2.58 -0.24 -2.83 -0.166 0.48269E+04 124 paragonite 4.24 1.92 -2.32 -0.137 0.39670E+04 149 pyrophyllite -6.18 -7.31 -1.14 -0.071 0.19388E+04 154 rhodochrosite -0.98 -5.45 -4.48 -1.492 0.76441E+04 156 sanidine -1.28 -4.89 -3.62 -0.278 0.61733E+04 159 sillimanite 5.26 1.66 -3.60 -0.360 0.61539E+04 166 stilbite -7.52 -12.06 -4.54 -0.216 0.77445E+04 172 sulfur -9.15 -9.87 -0.72 -0.222 0.12312E+04 180 topaz-H 4.62 1.66 -2.96 -0.269 0.50566E+04 181 tridymite -2.63 -2.99 -0.36 -0.121 0.61998E+03 196 beidellite-Ca -1.65 -4.86 -3.22 -0.199 0.54902E+04 197 beidellite-H -2.33 -5.56 -3.23 -0.206 0.55183E+04 198 beidellite-K -1.52 -4.98 -3.46 -0.212 0.59061E+04 199 beidellite-Mg -1.79 -5.41 -3.62 -0.224 0.61789E+04 200 beidellite-Na -1.34 -4.27 -2.92 -0.179 0.49926E+04 202 chalcedony -2.80 -2.99 -0.19 -0.062 0.31930E+03 203 dawsonite 1.68 -1.52 -3.20 -0.400 0.54628E+04 204 montmorillonite-Ca -2.29 -7.08 -4.79 -0.296 0.81810E+04 205 montmorillonite-K -2.24 -7.20 -4.96 -0.304 0.84750E+04 207 montmorillonite-Na -2.04 -6.49 -4.45 -0.272 0.75972E+04 214 topaz -16.55 -17.00 -0.45 -0.050 0.77256E+03 218 gypsum -4.96 -9.91 -4.95 -1.238 0.84558E+04 237 boehmite 4.41 2.32 -2.08 -0.347 0.35568E+04 240 fluorite -9.93 -14.43 -4.50 -1.500 0.76858E+04 245 silica-amorphous -2.09 -2.99 -0.90 -0.299 0.15335E+04 247 an20ab80 2.02 -1.61 -3.62 -0.279 0.61873E+04 248 an25ab75 2.65 -1.32 -3.97 -0.305 0.67794E+04 249 an30ab70 3.28 -1.04 -4.32 -0.333 0.73812E+04 Calculations done for 100.0000 Deg. C; 50.0000 bar Next reactant titration increment of: 0.0200000 MOLES Current total amount of reactant added: 0.5999900 MOLES New total amount of reactant added: 0.6199900 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 = 7 Loop limit = 400 Temperature = 100.00 C Pressure = 50.00 bar Mixer fraction = 0.6199900 Water: Moles liquid = 0.5041E+02 kg liquid = 0.9082E+00 Moles total = 0.5035E+02 kg total = 0.9071E+00 Activity = 0.9991 Stoichiometric ionic strength = .5122830E-01 Osmotic coef. = 0.8872 True ionic strength = .2542616E-01 Chg. balance for total moles = -.5508E-08 Max. difference allowed = 0.3796E-06 Log Log Log Species(n) Molality Molality Activity Activity Gamma Gamma 1 H+ 0.28788E-05 -5.5408 0.23802E-05 -5.6234 0.82681E+00 -0.0826 2 H2O 0.99907E+00 -0.0004 0.99907E+00 -0.0004 3 Cl- 0.41590E-02 -2.3810 0.34139E-02 -2.4668 0.82083E+00 -0.0857 4 SO4-- 0.32345E-02 -2.4902 0.15732E-02 -2.8032 0.48638E+00 -0.3130 5 HCO3- 0.94069E-02 -2.0266 0.77350E-02 -2.1115 0.82228E+00 -0.0850 6 HS- 0.18757E-02 -2.7268 0.15399E-02 -2.8125 0.82098E+00 -0.0857 7 Al+++ 0.14290E-13 -13.8450 0.28437E-14 -14.5461 0.19900E+00 -0.7012 8 H4SiO4 0.10227E-02 -2.9902 0.10227E-02 -2.9902 0.10000E+01 0.0000 9 Ca++ 0.16805E-06 -6.7746 0.81012E-07 -7.0915 0.48206E+00 -0.3169 10 Mg++ 0.81690E-10 -10.0878 0.39163E-10 -10.4071 0.47941E+00 -0.3193 11 Fe++ 0.12587E-13 -13.9001 0.60424E-14 -14.2188 0.48004E+00 -0.3187 12 K+ 0.15178E-03 -3.8188 0.12484E-03 -3.9036 0.82251E+00 -0.0849 13 Na+ 0.22035E-01 -1.6569 0.18083E-01 -1.7427 0.82064E+00 -0.0858 14 Mn++ 0.20103E-08 -8.6967 0.96600E-09 -9.0150 0.48052E+00 -0.3183 15 F- 0.26866E-03 -3.5708 0.21998E-03 -3.6576 0.81881E+00 -0.0868 16 HPO4-- 0.16994E-08 -8.7697 0.82667E-09 -9.0827 0.48646E+00 -0.3130 18 HSiO3- 0.48925E-06 -6.3105 0.40159E-06 -6.3962 0.82083E+00 -0.0857 19 Ca(HSiO3)+ 0.90056E-12 -12.0455 0.74090E-12 -12.1302 0.82272E+00 -0.0847 20 Mg(HSiO3)+ 0.54180E-15 -15.2662 0.44575E-15 -15.3509 0.82272E+00 -0.0847 21 NaHSiO3,aq 0.11745E-06 -6.9301 0.11745E-06 -6.9301 0.10000E+01 0.0000 22 AlO+ 0.82925E-10 -10.0813 0.68224E-10 -10.1661 0.82272E+00 -0.0847 23 AlOH+2 0.16807E-11 -11.7745 0.80858E-12 -12.0923 0.48109E+00 -0.3178 24 HAlO2,aq 0.57030E-08 -8.2439 0.57030E-08 -8.2439 0.10000E+01 0.0000 25 AlO2- 0.64756E-08 -8.1887 0.53038E-08 -8.2754 0.81905E+00 -0.0867 26 CH4,aq 0.74575E-08 -8.1274 0.73479E-08 -8.1338 0.98531E+00 -0.0064 27 C2H6,aq 0.97170E-18 -18.0125 0.95743E-18 -18.0189 0.98531E+00 -0.0064 31 CO,aq 0.95450E-11 -11.0202 0.95450E-11 -11.0202 0.10000E+01 0.0000 32 CO2,aq 0.39963E-01 -1.3983 0.39376E-01 -1.4048 0.98531E+00 -0.0064 33 CO3-2 0.58511E-06 -6.2328 0.28386E-06 -6.5469 0.48513E+00 -0.3141 34 CaCO3,aq 0.28834E-09 -9.5401 0.28834E-09 -9.5401 0.10000E+01 0.0000 35 Ca(HCO3)+ 0.19442E-07 -7.7113 0.15995E-07 -7.7960 0.82272E+00 -0.0847 36 CaCl+ 0.54401E-09 -9.2644 0.44756E-09 -9.3491 0.82272E+00 -0.0847 37 CaCl2,aq 0.36300E-12 -12.4401 0.36300E-12 -12.4401 0.10000E+01 0.0000 38 CaF+ 0.31625E-09 -9.5000 0.26018E-09 -9.5847 0.82272E+00 -0.0847 39 CaOH+ 0.29457E-11 -11.5308 0.24235E-11 -11.6156 0.82272E+00 -0.0847 40 CaSO4,aq 0.40470E-07 -7.3929 0.40470E-07 -7.3929 0.10000E+01 0.0000 41 HCl,aq 0.14890E-08 -8.8271 0.14890E-08 -8.8271 0.10000E+01 0.0000 45 HF,aq 0.35843E-05 -5.4456 0.35843E-05 -5.4456 0.10000E+01 0.0000 46 HF2- 0.32431E-09 -9.4890 0.26621E-09 -9.5748 0.82083E+00 -0.0857 48 FeCl+ 0.39686E-16 -16.4014 0.32651E-16 -16.4861 0.82272E+00 -0.0847 51 FeF+ 0.82560E-16 -16.0832 0.67924E-16 -16.1680 0.82272E+00 -0.0847 53 FeO,aq 0.41415E-19 -19.3828 0.41415E-19 -19.3828 0.10000E+01 0.0000 54 FeOH+ 0.10035E-15 -15.9985 0.82559E-16 -16.0832 0.82272E+00 -0.0847 59 HFeO2,aq 0.21908E-19 -19.6594 0.21908E-19 -19.6594 0.10000E+01 0.0000 60 H2,aq 0.97844E-08 -8.0095 0.96407E-08 -8.0159 0.98531E+00 -0.0064 61 KCl,aq 0.77245E-08 -8.1121 0.77245E-08 -8.1121 0.10000E+01 0.0000 62 KHSO4,aq 0.13217E-11 -11.8789 0.13217E-11 -11.8789 0.10000E+01 0.0000 63 KOH,aq 0.22379E-10 -10.6502 0.22379E-10 -10.6502 0.10000E+01 0.0000 64 KSO4- 0.37129E-05 -5.4303 0.30476E-05 -5.5160 0.82083E+00 -0.0857 65 MgCO3,aq 0.34939E-13 -13.4567 0.34939E-13 -13.4567 0.10000E+01 0.0000 66 Mg(HCO3)+ 0.96038E-11 -11.0176 0.79012E-11 -11.1023 0.82272E+00 -0.0847 67 MgCl+ 0.23836E-12 -12.6228 0.19610E-12 -12.7075 0.82272E+00 -0.0847 68 MgF+ 0.56632E-12 -12.2469 0.46592E-12 -12.3317 0.82272E+00 -0.0847 69 MgOH+ 0.78798E-14 -14.1035 0.64829E-14 -14.1882 0.82272E+00 -0.0847 71 MnF+ 0.43505E-11 -11.3615 0.35792E-11 -11.4462 0.82272E+00 -0.0847 72 MnO,aq 0.17642E-15 -15.7535 0.17642E-15 -15.7535 0.10000E+01 0.0000 73 MnOH+ 0.14903E-11 -11.8267 0.12261E-11 -11.9115 0.82272E+00 -0.0847 78 MnCl+ 0.24683E-10 -10.6076 0.20307E-10 -10.6923 0.82272E+00 -0.0847 79 MnSO4,aq 0.43872E-09 -9.3578 0.43872E-09 -9.3578 0.10000E+01 0.0000 80 NaCl,aq 0.20459E-04 -4.6891 0.20459E-04 -4.6891 0.10000E+01 0.0000 81 NaF,aq 0.93129E-06 -6.0309 0.93129E-06 -6.0309 0.10000E+01 0.0000 82 NaOH,aq 0.32612E-08 -8.4866 0.32612E-08 -8.4866 0.10000E+01 0.0000 84 OH- 0.29610E-06 -6.5286 0.24252E-06 -6.6153 0.81905E+00 -0.0867 89 HPO3-2 0.51242E-19 -19.2904 0.24859E-19 -19.6045 0.48513E+00 -0.3141 91 H2PO3- 0.14455E-18 -18.8400 0.11865E-18 -18.9257 0.82083E+00 -0.0857 92 H3PO4,aq 0.32755E-10 -10.4847 0.32755E-10 -10.4847 0.10000E+01 0.0000 93 H2PO4- 0.44170E-07 -7.3549 0.36297E-07 -7.4401 0.82177E+00 -0.0853 94 PO4-3 0.13423E-14 -14.8721 0.28337E-15 -15.5476 0.21111E+00 -0.6755 96 H3P2O7- 0.92519E-19 -19.0338 0.75943E-19 -19.1195 0.82083E+00 -0.0857 97 H2P2O7-2 0.21314E-15 -15.6713 0.10340E-15 -15.9855 0.48513E+00 -0.3141 98 HP2O7-3 0.43533E-16 -16.3612 0.86744E-17 -17.0618 0.19926E+00 -0.7006 99 P2O7-4 0.14625E-19 -19.8349 0.87064E-21 -21.0602 0.59530E-01 -1.2253 100 H2S,aq 0.11497E-01 -1.9394 0.11328E-01 -1.9459 0.98531E+00 -0.0064 101 S2-2 0.11234E-07 -7.9495 0.54501E-08 -8.2636 0.48513E+00 -0.3141 102 S3-2 0.17784E-07 -7.7500 0.86277E-08 -8.0641 0.48513E+00 -0.3141 103 S3- 0.17080E-06 -6.7675 0.14019E-06 -6.8533 0.82083E+00 -0.0857 104 S4-2 0.18597E-07 -7.7306 0.90220E-08 -8.0447 0.48513E+00 -0.3141 105 S5-2 0.12967E-07 -7.8871 0.62909E-08 -8.2013 0.48513E+00 -0.3141 106 SO2,aq 0.38443E-12 -12.4152 0.38443E-12 -12.4152 0.10000E+01 0.0000 107 SO3-2 0.39967E-11 -11.3983 0.19727E-11 -11.7049 0.49358E+00 -0.3066 108 HSO3- 0.35816E-09 -9.4459 0.29399E-09 -9.5317 0.82083E+00 -0.0857 109 HSO4- 0.43810E-05 -5.3584 0.36086E-05 -5.4427 0.82369E+00 -0.0842 111 S2O3-2 0.43190E-06 -6.3646 0.20953E-06 -6.6788 0.48513E+00 -0.3141 112 HS2O3- 0.10864E-09 -9.9640 0.89171E-10 -10.0498 0.82083E+00 -0.0857 113 H2S2O3,aq 0.34025E-14 -14.4682 0.34025E-14 -14.4682 0.10000E+01 0.0000 121 S4O6-2 0.11285E-16 -16.9475 0.54748E-17 -17.2616 0.48513E+00 -0.3141 Charge balance for all species = -.6064E-08 Component Molality Aq.molality ppm log[A(N)/A(H+)**Z] (total) 1 H+ 0.2878754E-05 0.5146999E-01 0.5167914E+02 0.0000 2 H2O 0.1000000E+01 0.5546829E+02 0.9954346E+06 0.0000 3 Cl- 0.4159024E-02 0.4179493E-02 0.1476057E+03 3.1566 4 SO4-- 0.3234472E-02 0.3243175E-02 0.3103463E+03 8.4436 5 HCO3- 0.9406868E-02 0.4937043E-01 0.3000860E+04 3.5119 6 HS- 0.1875688E-02 0.1337338E-01 0.4405834E+03 2.8109 7 Al+++ 0.1429000E-13 0.1226319E-07 0.3296066E-03 2.3241 8 H4SiO4 0.1022728E-02 0.1023335E-02 0.9797995E+02 -2.9902 9 Ca++ 0.1680513E-06 0.2291158E-06 0.9147186E-02 4.1553 10 Mg++ 0.8168984E-10 0.9214166E-10 0.2231532E-05 0.8397 11 Fe++ 0.1258725E-13 0.1280991E-13 0.7126438E-09 -2.9720 12 K+ 0.1517837E-03 0.1555043E-03 0.6057144E+01 1.7198 13 Na+ 0.2203541E-01 0.2205692E-01 0.5051340E+03 3.8807 14 Mn++ 0.2010313E-08 0.2479556E-08 0.1356980E-03 2.2318 15 F- 0.2686560E-03 0.2731726E-03 0.5169773E+01 1.9658 16 HPO4-- 0.1699365E-08 0.4590187E-07 0.4388672E-02 2.1641 Component Tot moles Aq. moles Solid moles Gas moles 1 H+ 0.4673088E-01 0.4674517E-01 -.1428450E-04 0.0000000E+00 2 H2O 0.5035399E+02 0.5037643E+02 -.2243537E-01 0.0000000E+00 3 Cl- 0.3795825E-02 0.3795825E-02 0.0000000E+00 0.0000000E+00 4 SO4-- 0.2945467E-02 0.2945459E-02 0.8148065E-08 0.0000000E+00 5 HCO3- 0.4483835E-01 0.4483835E-01 0.0000000E+00 0.0000000E+00 6 HS- 0.1214579E-01 0.1214574E-01 0.5703645E-07 0.0000000E+00 7 Al+++ 0.4775352E-05 0.1113746E-07 0.4764215E-05 0.0000000E+00 8 H4SiO4 0.1215302E-01 0.9293951E-03 0.1122362E-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 0.1163399E-13 0.3259226E-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- 0.2480960E-03 0.2480960E-03 0.0000000E+00 0.0000000E+00 16 HPO4-- 0.4168819E-07 0.4168819E-07 0.0000000E+00 0.0000000E+00 Chg. balance for solid moles: -.1363E-20 Mass of aqueous solution: 0.911709E+03 g Temperature = 100.00 C Pressure = 50.00 bar Mixer frac. = 0.6199900 Log Log Vol Gas or mineral Moles Moles Grams Grams Wt.% (cm3) kaolinite 0.2382E-05 -5.623 0.6150E-03 -3.211 0.9115E-01 0.2366E-03 pyrite 0.3259E-07 -7.487 0.3910E-05 -5.408 0.5796E-03 0.7802E-06 quartz 0.1122E-01 -1.950 0.6740 -0.171 99.91 0.2545 Partial press. Fugacity coef Log fugacity Gas or Mineral Mole fraction or activity Activity coef Log activity kaolinite 0.1000E+01 0.1000E+01 1.0000 0.000 pyrite 0.1000E+01 0.1000E+01 1.0000 0.000 quartz 0.1000E+01 0.1000E+01 1.0000 0.000 Solid products produced: Mass = 0.674648 g Volume = 0.254780 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: 0.6199900 moles log = -0.2076 Original solution: 1000.0103000 g Original solution / Rock added: 1612.95 (Water/Rock Ratio), log = 3.2076 Gas composition at saturation ( 2 iterations) ------------------------------------------------- Temperature: 100.0000 deg.C Sat. pressure: 5.6408 bar Gas Mole fraction phi Fugacity Partial P(bar) H2O,gas 0.1859E+00 0.9583 0.1005E+01 0.1049E+01 CO2,gas 0.7576E+00 0.9858 0.4213E+01 0.4274E+01 CH4,gas 0.1903E-05 1.0077 0.1082E-04 0.1073E-04 H2,gas 0.2237E-05 1.0030 0.1266E-04 0.1262E-04 H2S,gas 0.5643E-01 0.9784 0.3114E+00 0.3183E+00 S2,gas 0.4028E-11 1.0000 0.2272E-10 0.2272E-10 CO,gas 0.2522E-08 1.0000 0.1422E-07 0.1422E-07 SO3,gas 0.5980E-30 1.0000 0.3373E-29 0.3373E-29 SO2,gas 0.2947E-12 1.0000 0.1662E-11 0.1662E-11 HF,gas 0.1560E-08 1.0000 0.8801E-08 0.8801E-08 HCl,gas 0.4658E-12 1.0000 0.2627E-11 0.2627E-11 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 101 kaolinite -1.33 -1.33 0.00 0.000 0.56870E-11 145 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 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 -1.697 0.28972E+04 0.002 2 CO2,gas -6.66 -7.73 -1.07 -0.358 0.18345E+04 0.625 3 CH4,gas 4.54 -2.12 -6.66 -1.666 0.11380E+05 -4.966 4 H2,gas 8.00 1.40 -6.60 -3.770 0.11264E+05 -4.898 5 H2S,gas -6.23 -8.44 -2.21 -1.103 0.37661E+04 -0.507 6 S2,gas -7.34 -19.68 -12.34 -1.899 0.21075E+05 -10.644 7 CO,gas 3.21 -6.33 -9.55 -2.937 0.16299E+05 -7.847 8 SO3,gas 17.12 -14.05 -31.17 -7.793 0.53224E+05 -29.472 9 SO2,gas 0.83 -12.65 -13.48 -3.594 0.23014E+05 -11.779 10 HF,gas 0.47 -9.28 -9.75 -4.877 0.16655E+05 -8.055 11 HCl,gas 5.19 -8.09 -13.28 -6.640 0.22674E+05 -11.580 16 albite-high 0.69 -2.76 -3.46 -0.266 0.59035E+04 17 albite -0.38 -2.76 -2.38 -0.183 0.40647E+04 21 analcite 3.32 0.22 -3.10 -0.344 0.52884E+04 22 andalusite 5.00 1.66 -3.34 -0.334 0.57099E+04 25 anhydrite -5.32 -9.89 -4.58 -2.289 0.78166E+04 38 aragonite 0.97 -3.58 -4.55 -1.515 0.77624E+04 40 calcite 0.81 -3.58 -4.39 -1.464 0.74982E+04 57 coesite -2.38 -2.99 -0.61 -0.204 0.10473E+04 62 corundum 8.38 4.65 -3.74 -0.340 0.63795E+04 64 cristobalite -2.56 -2.99 -0.43 -0.143 0.73267E+03 68 diaspore 2.87 2.32 -0.55 -0.092 0.93987E+03 69 diamond -3.10 -4.93 -1.83 -0.521 0.31163E+04 86 gibbsite 4.08 2.32 -1.76 -0.251 0.29991E+04 89 graphite -3.55 -4.93 -1.38 -0.395 0.23585E+04 98 jadeite 4.22 0.23 -3.99 -0.399 0.68132E+04 102 kyanite 4.88 1.66 -3.22 -0.322 0.54958E+04 119 microcline -2.49 -4.93 -2.44 -0.188 0.41642E+04 123 muscovite 2.58 -0.28 -2.86 -0.168 0.48855E+04 124 paragonite 4.24 1.88 -2.36 -0.139 0.40250E+04 149 pyrophyllite -6.18 -7.31 -1.14 -0.071 0.19387E+04 154 rhodochrosite -0.98 -5.50 -4.53 -1.509 0.77295E+04 156 sanidine -1.28 -4.93 -3.65 -0.281 0.62319E+04 159 sillimanite 5.26 1.66 -3.60 -0.360 0.61538E+04 166 stilbite -7.52 -12.13 -4.60 -0.219 0.78629E+04 172 sulfur -9.15 -9.84 -0.69 -0.211 0.11725E+04 180 topaz-H 4.62 1.66 -2.96 -0.269 0.50565E+04 181 tridymite -2.63 -2.99 -0.36 -0.121 0.61998E+03 196 beidellite-Ca -1.65 -4.87 -3.23 -0.200 0.55097E+04 197 beidellite-H -2.33 -5.56 -3.23 -0.206 0.55182E+04 198 beidellite-K -1.52 -4.99 -3.47 -0.213 0.59254E+04 199 beidellite-Mg -1.79 -5.42 -3.63 -0.225 0.61977E+04 200 beidellite-Na -1.34 -4.28 -2.94 -0.180 0.50118E+04 202 chalcedony -2.80 -2.99 -0.19 -0.062 0.31930E+03 203 dawsonite 1.68 -1.53 -3.21 -0.402 0.54858E+04 204 montmorillonite-Ca -2.29 -7.12 -4.82 -0.298 0.82381E+04 205 montmorillonite-K -2.24 -7.23 -5.00 -0.306 0.85320E+04 207 montmorillonite-Na -2.04 -6.52 -4.48 -0.275 0.76540E+04 214 topaz -16.55 -16.90 -0.36 -0.040 0.61111E+03 218 gypsum -4.96 -9.90 -4.94 -1.235 0.84355E+04 237 boehmite 4.41 2.32 -2.08 -0.347 0.35568E+04 240 fluorite -9.93 -14.41 -4.48 -1.492 0.76426E+04 245 silica-amorphous -2.09 -2.99 -0.90 -0.299 0.15335E+04 247 an20ab80 2.02 -1.65 -3.66 -0.282 0.62574E+04 248 an25ab75 2.65 -1.37 -4.01 -0.309 0.68525E+04 249 an30ab70 3.28 -1.09 -4.37 -0.336 0.74573E+04 Calculations done for 100.0000 Deg. C; 50.0000 bar Next reactant titration increment of: 0.0200000 MOLES Current total amount of reactant added: 0.6199900 MOLES New total amount of reactant added: 0.6399900 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 = 7 Loop limit = 400 Temperature = 100.00 C Pressure = 50.00 bar Mixer fraction = 0.6399900 Water: Moles liquid = 0.5043E+02 kg liquid = 0.9085E+00 Moles total = 0.5037E+02 kg total = 0.9074E+00 Activity = 0.9990 Stoichiometric ionic strength = .5250290E-01 Osmotic coef. = 0.8864 True ionic strength = .2552096E-01 Chg. balance for total moles = -.5508E-08 Max. difference allowed = 0.3914E-06 Log Log Log Species(n) Molality Molality Activity Activity Gamma Gamma 1 H+ 0.31084E-05 -5.5075 0.25693E-05 -5.5902 0.82657E+00 -0.0827 2 H2O 0.99903E+00 -0.0004 0.99903E+00 -0.0004 3 Cl- 0.42868E-02 -2.3679 0.35177E-02 -2.4537 0.82058E+00 -0.0859 4 SO4-- 0.33378E-02 -2.4765 0.16216E-02 -2.7900 0.48585E+00 -0.3135 5 HCO3- 0.91195E-02 -2.0400 0.74965E-02 -2.1251 0.82203E+00 -0.0851 6 HS- 0.18115E-02 -2.7420 0.14867E-02 -2.8278 0.82073E+00 -0.0858 7 Al+++ 0.18021E-13 -13.7442 0.35773E-14 -14.4464 0.19851E+00 -0.7022 8 H4SiO4 0.10226E-02 -2.9903 0.10226E-02 -2.9903 0.10000E+01 0.0000 9 Ca++ 0.16757E-06 -6.7758 0.80688E-07 -7.0932 0.48153E+00 -0.3174 10 Mg++ 0.81913E-10 -10.0866 0.39226E-10 -10.4064 0.47887E+00 -0.3198 11 Fe++ 0.13047E-13 -13.8845 0.62561E-14 -14.2037 0.47950E+00 -0.3192 12 K+ 0.15162E-03 -3.8193 0.12467E-03 -3.9042 0.82226E+00 -0.0850 13 Na+ 0.22027E-01 -1.6570 0.18071E-01 -1.7430 0.82039E+00 -0.0860 14 Mn++ 0.19985E-08 -8.6993 0.95925E-09 -9.0181 0.47998E+00 -0.3188 15 F- 0.27693E-03 -3.5576 0.22668E-03 -3.6446 0.81855E+00 -0.0870 16 HPO4-- 0.15791E-08 -8.8016 0.76733E-09 -9.1150 0.48593E+00 -0.3134 18 HSiO3- 0.45335E-06 -6.3436 0.37201E-06 -6.4294 0.82058E+00 -0.0859 19 Ca(HSiO3)+ 0.83114E-12 -12.0803 0.68359E-12 -12.1652 0.82247E+00 -0.0849 20 Mg(HSiO3)+ 0.50285E-15 -15.2986 0.41358E-15 -15.3834 0.82247E+00 -0.0849 21 NaHSiO3,aq 0.10873E-06 -6.9637 0.10873E-06 -6.9637 0.10000E+01 0.0000 22 AlO+ 0.89548E-10 -10.0479 0.73651E-10 -10.1328 0.82247E+00 -0.0849 23 AlOH+2 0.19608E-11 -11.7076 0.94226E-12 -12.0258 0.48055E+00 -0.3183 24 HAlO2,aq 0.57031E-08 -8.2439 0.57031E-08 -8.2439 0.10000E+01 0.0000 25 AlO2- 0.60008E-08 -8.2218 0.49135E-08 -8.3086 0.81880E+00 -0.0868 26 CH4,aq 0.67713E-08 -8.1693 0.66695E-08 -8.1759 0.98497E+00 -0.0066 27 C2H6,aq 0.82980E-18 -18.0810 0.81733E-18 -18.0876 0.98497E+00 -0.0066 31 CO,aq 0.96379E-11 -11.0160 0.96379E-11 -11.0160 0.10000E+01 0.0000 32 CO2,aq 0.41824E-01 -1.3786 0.41196E-01 -1.3851 0.98497E+00 -0.0066 33 CO3-2 0.52589E-06 -6.2791 0.25485E-06 -6.5937 0.48461E+00 -0.3146 34 CaCO3,aq 0.25784E-09 -9.5887 0.25784E-09 -9.5887 0.10000E+01 0.0000 35 Ca(HCO3)+ 0.18773E-07 -7.7265 0.15440E-07 -7.8114 0.82247E+00 -0.0849 36 CaCl+ 0.55848E-09 -9.2530 0.45933E-09 -9.3379 0.82247E+00 -0.0849 37 CaCl2,aq 0.38387E-12 -12.4158 0.38387E-12 -12.4158 0.10000E+01 0.0000 38 CaF+ 0.32469E-09 -9.4885 0.26704E-09 -9.5734 0.82247E+00 -0.0849 39 CaOH+ 0.27186E-11 -11.5656 0.22360E-11 -11.6505 0.82247E+00 -0.0849 40 CaSO4,aq 0.41550E-07 -7.3814 0.41550E-07 -7.3814 0.10000E+01 0.0000 41 HCl,aq 0.16562E-08 -8.7809 0.16562E-08 -8.7809 0.10000E+01 0.0000 45 HF,aq 0.39871E-05 -5.3993 0.39871E-05 -5.3993 0.10000E+01 0.0000 46 HF2- 0.37187E-09 -9.4296 0.30515E-09 -9.5155 0.82058E+00 -0.0859 48 FeCl+ 0.42352E-16 -16.3731 0.34833E-16 -16.4580 0.82247E+00 -0.0849 51 FeF+ 0.88113E-16 -16.0550 0.72470E-16 -16.1398 0.82247E+00 -0.0849 53 FeO,aq 0.36797E-19 -19.4342 0.36797E-19 -19.4342 0.10000E+01 0.0000 54 FeOH+ 0.96274E-16 -16.0165 0.79183E-16 -16.1014 0.82247E+00 -0.0849 59 HFeO2,aq 0.19814E-19 -19.7030 0.19814E-19 -19.7030 0.10000E+01 0.0000 60 H2,aq 0.94460E-08 -8.0247 0.93041E-08 -8.0313 0.98497E+00 -0.0066 61 KCl,aq 0.79482E-08 -8.0997 0.79482E-08 -8.0997 0.10000E+01 0.0000 62 KHSO4,aq 0.14687E-11 -11.8331 0.14687E-11 -11.8331 0.10000E+01 0.0000 63 KOH,aq 0.20702E-10 -10.6840 0.20702E-10 -10.6840 0.10000E+01 0.0000 64 KSO4- 0.38231E-05 -5.4176 0.31372E-05 -5.5035 0.82058E+00 -0.0859 65 MgCO3,aq 0.31419E-13 -13.5028 0.31419E-13 -13.5028 0.10000E+01 0.0000 66 Mg(HCO3)+ 0.93253E-11 -11.0303 0.76698E-11 -11.1152 0.82247E+00 -0.0849 67 MgCl+ 0.24607E-12 -12.6089 0.20239E-12 -12.6938 0.82247E+00 -0.0849 68 MgF+ 0.58470E-12 -12.2331 0.48090E-12 -12.3179 0.82247E+00 -0.0849 69 MgOH+ 0.73133E-14 -14.1359 0.60150E-14 -14.2208 0.82247E+00 -0.0849 71 MnF+ 0.44531E-11 -11.3513 0.36626E-11 -11.4362 0.82247E+00 -0.0849 72 MnO,aq 0.15034E-15 -15.8229 0.15034E-15 -15.8229 0.10000E+01 0.0000 73 MnOH+ 0.13713E-11 -11.8629 0.11279E-11 -11.9477 0.82247E+00 -0.0849 78 MnCl+ 0.25264E-10 -10.5975 0.20779E-10 -10.6824 0.82247E+00 -0.0849 79 MnSO4,aq 0.44908E-09 -9.3477 0.44908E-09 -9.3477 0.10000E+01 0.0000 80 NaCl,aq 0.21066E-04 -4.6764 0.21066E-04 -4.6764 0.10000E+01 0.0000 81 NaF,aq 0.95902E-06 -6.0182 0.95902E-06 -6.0182 0.10000E+01 0.0000 82 NaOH,aq 0.30189E-08 -8.5202 0.30189E-08 -8.5202 0.10000E+01 0.0000 84 OH- 0.27437E-06 -6.5617 0.22466E-06 -6.6485 0.81880E+00 -0.0868 89 HPO3-2 0.45955E-19 -19.3377 0.22270E-19 -19.6523 0.48461E+00 -0.3146 91 H2PO3- 0.13983E-18 -18.8544 0.11474E-18 -18.9403 0.82058E+00 -0.0859 92 H3PO4,aq 0.35428E-10 -10.4507 0.35428E-10 -10.4507 0.10000E+01 0.0000 93 H2PO4- 0.44271E-07 -7.3539 0.36369E-07 -7.4393 0.82152E+00 -0.0854 94 PO4-3 0.11569E-14 -14.9367 0.24367E-15 -15.6132 0.21063E+00 -0.6765 96 H3P2O7- 0.10030E-18 -18.9987 0.82308E-19 -19.0846 0.82058E+00 -0.0859 97 H2P2O7-2 0.21423E-15 -15.6691 0.10382E-15 -15.9837 0.48461E+00 -0.3146 98 HP2O7-3 0.40589E-16 -16.3916 0.80681E-17 -17.0932 0.19878E+00 -0.7016 99 P2O7-4 0.12655E-19 -19.8977 0.75017E-21 -21.1248 0.59280E-01 -1.2271 100 H2S,aq 0.11986E-01 -1.9213 0.11806E-01 -1.9279 0.98497E+00 -0.0066 101 S2-2 0.10862E-07 -7.9641 0.52639E-08 -8.2787 0.48461E+00 -0.3146 102 S3-2 0.18569E-07 -7.7312 0.89987E-08 -8.0458 0.48461E+00 -0.3146 103 S3- 0.19580E-06 -6.7082 0.16067E-06 -6.7941 0.82058E+00 -0.0859 104 S4-2 0.20969E-07 -7.6784 0.10162E-07 -7.9930 0.48461E+00 -0.3146 105 S5-2 0.15790E-07 -7.8016 0.76517E-08 -8.1162 0.48461E+00 -0.3146 106 SO2,aq 0.44569E-12 -12.3510 0.44569E-12 -12.3510 0.10000E+01 0.0000 107 SO3-2 0.39804E-11 -11.4001 0.19626E-11 -11.7072 0.49307E+00 -0.3071 108 HSO3- 0.38476E-09 -9.4148 0.31572E-09 -9.5007 0.82058E+00 -0.0859 109 HSO4- 0.48763E-05 -5.3119 0.40154E-05 -5.3963 0.82345E+00 -0.0844 111 S2O3-2 0.46452E-06 -6.3330 0.22511E-06 -6.6476 0.48461E+00 -0.3146 112 HS2O3- 0.12603E-09 -9.8995 0.10341E-09 -9.9854 0.82058E+00 -0.0859 113 H2S2O3,aq 0.42596E-14 -14.3706 0.42596E-14 -14.3706 0.10000E+01 0.0000 121 S4O6-2 0.15745E-16 -16.8029 0.76299E-17 -17.1175 0.48461E+00 -0.3146 Charge balance for all species = -.6062E-08 Component Molality Aq.molality ppm log[A(N)/A(H+)**Z] (total) 1 H+ 0.3108414E-05 0.5382186E-01 0.5403553E+02 0.0000 2 H2O 0.1000000E+01 0.5546642E+02 0.9953085E+06 0.0000 3 Cl- 0.4286799E-02 0.4307875E-02 0.1521255E+03 3.1364 4 SO4-- 0.3337764E-02 0.3347127E-02 0.3202640E+03 8.3903 5 HCO3- 0.9119459E-02 0.5094432E-01 0.3096236E+04 3.4650 6 HS- 0.1811461E-02 0.1379840E-01 0.4545434E+03 2.7624 7 Al+++ 0.1802059E-13 0.1179548E-07 0.3170061E-03 2.3241 8 H4SiO4 0.1022642E-02 0.1023204E-02 0.9795828E+02 -2.9903 9 Ca++ 0.1675658E-06 0.2290337E-06 0.9143056E-02 4.0872 10 Mg++ 0.8191330E-10 0.9210863E-10 0.2230525E-05 0.7739 11 Fe++ 0.1304707E-13 0.1327387E-13 0.7383858E-09 -3.0233 12 K+ 0.1516175E-03 0.1554486E-03 0.6054410E+01 1.6859 13 Na+ 0.2202688E-01 0.2204902E-01 0.5049059E+03 3.8472 14 Mn++ 0.1998500E-08 0.2478668E-08 0.1356367E-03 2.1623 15 F- 0.2769329E-03 0.2818801E-03 0.5334066E+01 1.9456 16 HPO4-- 0.1579095E-08 0.4588542E-07 0.4386690E-02 2.0653 Component Tot moles Aq. moles Solid moles Gas moles 1 H+ 0.4888438E-01 0.4889867E-01 -.1428576E-04 0.0000000E+00 2 H2O 0.5037037E+02 0.5039280E+02 -.2243494E-01 0.0000000E+00 3 Cl- 0.3913825E-02 0.3913825E-02 0.0000000E+00 0.0000000E+00 4 SO4-- 0.3040967E-02 0.3040959E-02 0.8148064E-08 0.0000000E+00 5 HCO3- 0.4628435E-01 0.4628435E-01 0.0000000E+00 0.0000000E+00 6 HS- 0.1253629E-01 0.1253624E-01 0.5703645E-07 0.0000000E+00 7 Al+++ 0.4775352E-05 0.1071652E-07 0.4764635E-05 0.0000000E+00 8 H4SiO4 0.1215302E-01 0.9296093E-03 0.1122341E-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 0.1205968E-13 0.3259226E-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- 0.2560960E-03 0.2560960E-03 0.0000000E+00 0.0000000E+00 16 HPO4-- 0.4168819E-07 0.4168819E-07 0.0000000E+00 0.0000000E+00 Chg. balance for solid moles: -.1496E-20 Mass of aqueous solution: 0.912121E+03 g Temperature = 100.00 C Pressure = 50.00 bar Mixer frac. = 0.6399900 Log Log Vol Gas or mineral Moles Moles Grams Grams Wt.% (cm3) kaolinite 0.2382E-05 -5.623 0.6150E-03 -3.211 0.9116E-01 0.2366E-03 pyrite 0.3259E-07 -7.487 0.3910E-05 -5.408 0.5796E-03 0.7802E-06 quartz 0.1122E-01 -1.950 0.6740 -0.171 99.91 0.2545 Partial press. Fugacity coef Log fugacity Gas or Mineral Mole fraction or activity Activity coef Log activity kaolinite 0.1000E+01 0.1000E+01 1.0000 0.000 pyrite 0.1000E+01 0.1000E+01 1.0000 0.000 quartz 0.1000E+01 0.1000E+01 1.0000 0.000 Solid products produced: Mass = 0.674635 g Volume = 0.254775 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: 0.6399900 moles log = -0.1938 Original solution: 1000.0103000 g Original solution / Rock added: 1562.54 (Water/Rock Ratio), log = 3.1938 Gas composition at saturation ( 2 iterations) ------------------------------------------------- Temperature: 100.0000 deg.C Sat. pressure: 5.8561 bar Gas Mole fraction phi Fugacity Partial P(bar) H2O,gas 0.1793E+00 0.9573 0.1005E+01 0.1050E+01 CO2,gas 0.7640E+00 0.9851 0.4408E+01 0.4474E+01 CH4,gas 0.1664E-05 1.0077 0.9817E-05 0.9742E-05 H2,gas 0.2079E-05 1.0031 0.1222E-04 0.1218E-04 H2S,gas 0.5669E-01 0.9775 0.3245E+00 0.3320E+00 S2,gas 0.4524E-11 1.0000 0.2649E-10 0.2649E-10 CO,gas 0.2453E-08 1.0000 0.1436E-07 0.1436E-07 SO3,gas 0.6919E-30 1.0000 0.4052E-29 0.4052E-29 SO2,gas 0.3291E-12 1.0000 0.1927E-11 0.1927E-11 HF,gas 0.1672E-08 1.0000 0.9790E-08 0.9790E-08 HCl,gas 0.4990E-12 1.0000 0.2922E-11 0.2922E-11 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 101 kaolinite -1.33 -1.33 0.00 0.000 0.56870E-11 145 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 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 -1.697 0.28973E+04 0.002 2 CO2,gas -6.66 -7.71 -1.05 -0.352 0.18010E+04 0.644 3 CH4,gas 4.54 -2.16 -6.71 -1.677 0.11452E+05 -5.008 4 H2,gas 8.00 1.39 -6.61 -3.778 0.11290E+05 -4.913 5 H2S,gas -6.23 -8.42 -2.19 -1.094 0.37355E+04 -0.489 6 S2,gas -7.34 -19.61 -12.28 -1.889 0.20961E+05 -10.577 7 CO,gas 3.21 -6.33 -9.54 -2.936 0.16292E+05 -7.843 8 SO3,gas 17.12 -13.97 -31.09 -7.773 0.53088E+05 -29.392 9 SO2,gas 0.83 -12.58 -13.41 -3.577 0.22904E+05 -11.715 10 HF,gas 0.47 -9.23 -9.71 -4.854 0.16576E+05 -8.009 11 HCl,gas 5.19 -8.04 -13.23 -6.617 0.22595E+05 -11.534 16 albite-high 0.69 -2.80 -3.49 -0.269 0.59607E+04 17 albite -0.38 -2.80 -2.41 -0.186 0.41219E+04 21 analcite 3.32 0.19 -3.13 -0.348 0.53456E+04 22 andalusite 5.00 1.66 -3.34 -0.334 0.57098E+04 25 anhydrite -5.32 -9.88 -4.57 -2.283 0.77971E+04 38 aragonite 0.97 -3.63 -4.59 -1.532 0.78453E+04 40 calcite 0.81 -3.63 -4.44 -1.480 0.75811E+04 57 coesite -2.38 -2.99 -0.61 -0.204 0.10473E+04 62 corundum 8.38 4.65 -3.74 -0.340 0.63794E+04 64 cristobalite -2.56 -2.99 -0.43 -0.143 0.73267E+03 68 diaspore 2.87 2.32 -0.55 -0.092 0.93985E+03 69 diamond -3.10 -4.94 -1.84 -0.525 0.31354E+04 86 gibbsite 4.08 2.32 -1.76 -0.251 0.29991E+04 89 graphite -3.55 -4.94 -1.39 -0.398 0.23777E+04 98 jadeite 4.22 0.19 -4.02 -0.402 0.68704E+04 102 kyanite 4.88 1.66 -3.22 -0.322 0.54957E+04 119 microcline -2.49 -4.96 -2.47 -0.190 0.42219E+04 123 muscovite 2.58 -0.31 -2.90 -0.170 0.49432E+04 124 paragonite 4.24 1.85 -2.39 -0.141 0.40822E+04 149 pyrophyllite -6.18 -7.31 -1.14 -0.071 0.19387E+04 154 rhodochrosite -0.98 -5.55 -4.58 -1.526 0.78146E+04 156 sanidine -1.28 -4.96 -3.68 -0.283 0.62897E+04 159 sillimanite 5.26 1.66 -3.60 -0.360 0.61538E+04 166 stilbite -7.52 -12.20 -4.67 -0.223 0.79794E+04 172 sulfur -9.15 -9.81 -0.65 -0.201 0.11155E+04 180 topaz-H 4.62 1.66 -2.96 -0.269 0.50565E+04 181 tridymite -2.63 -2.99 -0.36 -0.121 0.61998E+03 196 beidellite-Ca -1.65 -4.88 -3.24 -0.200 0.55289E+04 197 beidellite-H -2.33 -5.56 -3.23 -0.206 0.55182E+04 198 beidellite-K -1.52 -5.00 -3.48 -0.213 0.59445E+04 199 beidellite-Mg -1.79 -5.43 -3.64 -0.225 0.62161E+04 200 beidellite-Na -1.34 -4.29 -2.95 -0.180 0.50306E+04 202 chalcedony -2.80 -2.99 -0.19 -0.062 0.31930E+03 203 dawsonite 1.68 -1.54 -3.23 -0.403 0.55095E+04 204 montmorillonite-Ca -2.29 -7.15 -4.86 -0.301 0.82943E+04 207 montmorillonite-Na -2.04 -6.55 -4.52 -0.277 0.77099E+04 214 topaz -16.55 -16.81 -0.27 -0.029 0.45307E+03 218 gypsum -4.96 -9.88 -4.93 -1.232 0.84161E+04 237 boehmite 4.41 2.32 -2.08 -0.347 0.35568E+04 240 fluorite -9.93 -14.38 -4.45 -1.484 0.76010E+04 245 silica-amorphous -2.09 -2.99 -0.90 -0.299 0.15335E+04 247 an20ab80 2.02 -1.69 -3.71 -0.285 0.63264E+04 248 an25ab75 2.65 -1.41 -4.06 -0.312 0.69245E+04 249 an30ab70 3.28 -1.13 -4.41 -0.339 0.75322E+04 Calculations done for 100.0000 Deg. C; 50.0000 bar Next reactant titration increment of: 0.0200000 MOLES Current total amount of reactant added: 0.6399900 MOLES New total amount of reactant added: 0.6599900 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 = 7 Loop limit = 400 Temperature = 100.00 C Pressure = 50.00 bar Mixer fraction = 0.6599900 Water: Moles liquid = 0.5045E+02 kg liquid = 0.9089E+00 Moles total = 0.5039E+02 kg total = 0.9077E+00 Activity = 0.9990 Stoichiometric ionic strength = .5377667E-01 Osmotic coef. = 0.8855 True ionic strength = .2561567E-01 Chg. balance for total moles = -.5508E-08 Max. difference allowed = 0.4032E-06 Log Log Log Species(n) Molality Molality Activity Activity Gamma Gamma 1 H+ 0.33532E-05 -5.4745 0.27709E-05 -5.5574 0.82634E+00 -0.0828 2 H2O 0.99899E+00 -0.0004 0.99899E+00 -0.0004 3 Cl- 0.44145E-02 -2.3551 0.36213E-02 -2.4411 0.82033E+00 -0.0860 4 SO4-- 0.34409E-02 -2.4633 0.16700E-02 -2.7773 0.48532E+00 -0.3140 5 HCO3- 0.88316E-02 -2.0540 0.72577E-02 -2.1392 0.82178E+00 -0.0852 6 HS- 0.17480E-02 -2.7575 0.14342E-02 -2.8434 0.82048E+00 -0.0859 7 Al+++ 0.22660E-13 -13.6447 0.44874E-14 -14.3480 0.19803E+00 -0.7033 8 H4SiO4 0.10226E-02 -2.9903 0.10226E-02 -2.9903 0.10000E+01 0.0000 9 Ca++ 0.16709E-06 -6.7771 0.80368E-07 -7.0949 0.48100E+00 -0.3179 10 Mg++ 0.82138E-10 -10.0855 0.39289E-10 -10.4057 0.47833E+00 -0.3203 11 Fe++ 0.13549E-13 -13.8681 0.64897E-14 -14.1878 0.47897E+00 -0.3197 12 K+ 0.15145E-03 -3.8197 0.12450E-03 -3.9048 0.82201E+00 -0.0851 13 Na+ 0.22018E-01 -1.6572 0.18058E-01 -1.7433 0.82014E+00 -0.0861 14 Mn++ 0.19869E-08 -8.7018 0.95260E-09 -9.0211 0.47945E+00 -0.3193 15 F- 0.28517E-03 -3.5449 0.23335E-03 -3.6320 0.81830E+00 -0.0871 16 HPO4-- 0.14684E-08 -8.8332 0.71277E-09 -9.1470 0.48541E+00 -0.3139 18 HSiO3- 0.42048E-06 -6.3763 0.34493E-06 -6.4623 0.82033E+00 -0.0860 19 Ca(HSiO3)+ 0.76782E-12 -12.1147 0.63132E-12 -12.1997 0.82223E+00 -0.0850 20 Mg(HSiO3)+ 0.46715E-15 -15.3305 0.38410E-15 -15.4156 0.82223E+00 -0.0850 21 NaHSiO3,aq 0.10074E-06 -6.9968 0.10074E-06 -6.9968 0.10000E+01 0.0000 22 AlO+ 0.96607E-10 -10.0150 0.79433E-10 -10.1000 0.82223E+00 -0.0850 23 AlOH+2 0.22832E-11 -11.6415 0.10960E-11 -11.9602 0.48002E+00 -0.3187 24 HAlO2,aq 0.57032E-08 -8.2439 0.57032E-08 -8.2439 0.10000E+01 0.0000 25 AlO2- 0.55662E-08 -8.2544 0.45562E-08 -8.3414 0.81855E+00 -0.0870 26 CH4,aq 0.61429E-08 -8.2116 0.60486E-08 -8.2183 0.98464E+00 -0.0067 27 C2H6,aq 0.70720E-18 -18.1505 0.69634E-18 -18.1572 0.98464E+00 -0.0067 31 CO,aq 0.97151E-11 -11.0126 0.97151E-11 -11.0126 0.10000E+01 0.0000 32 CO2,aq 0.43685E-01 -1.3597 0.43014E-01 -1.3664 0.98464E+00 -0.0067 33 CO3-2 0.47261E-06 -6.3255 0.22878E-06 -6.6406 0.48408E+00 -0.3151 34 CaCO3,aq 0.23055E-09 -9.6372 0.23055E-09 -9.6372 0.10000E+01 0.0000 35 Ca(HCO3)+ 0.18108E-07 -7.7421 0.14889E-07 -7.8271 0.82223E+00 -0.0850 36 CaCl+ 0.57282E-09 -9.2420 0.47099E-09 -9.3270 0.82223E+00 -0.0850 37 CaCl2,aq 0.40522E-12 -12.3923 0.40522E-12 -12.3923 0.10000E+01 0.0000 38 CaF+ 0.33301E-09 -9.4775 0.27381E-09 -9.5626 0.82223E+00 -0.0850 39 CaOH+ 0.25115E-11 -11.6001 0.20650E-11 -11.6851 0.82223E+00 -0.0850 40 CaSO4,aq 0.42618E-07 -7.3704 0.42618E-07 -7.3704 0.10000E+01 0.0000 41 HCl,aq 0.18387E-08 -8.7355 0.18387E-08 -8.7355 0.10000E+01 0.0000 45 HF,aq 0.44263E-05 -5.3540 0.44263E-05 -5.3540 0.10000E+01 0.0000 46 HF2- 0.42511E-09 -9.3715 0.34873E-09 -9.4575 0.82033E+00 -0.0860 48 FeCl+ 0.45241E-16 -16.3445 0.37199E-16 -16.4295 0.82223E+00 -0.0850 51 FeF+ 0.94118E-16 -16.0263 0.77387E-16 -16.1113 0.82223E+00 -0.0850 53 FeO,aq 0.32818E-19 -19.4839 0.32818E-19 -19.4839 0.10000E+01 0.0000 54 FeOH+ 0.92627E-16 -16.0333 0.76161E-16 -16.1183 0.82223E+00 -0.0850 59 HFeO2,aq 0.17985E-19 -19.7451 0.17985E-19 -19.7451 0.10000E+01 0.0000 60 H2,aq 0.91220E-08 -8.0399 0.89819E-08 -8.0466 0.98464E+00 -0.0067 61 KCl,aq 0.81711E-08 -8.0877 0.81711E-08 -8.0877 0.10000E+01 0.0000 62 KHSO4,aq 0.16288E-11 -11.7881 0.16288E-11 -11.7881 0.10000E+01 0.0000 63 KOH,aq 0.19168E-10 -10.7174 0.19168E-10 -10.7174 0.10000E+01 0.0000 64 KSO4- 0.39328E-05 -5.4053 0.32262E-05 -5.4913 0.82033E+00 -0.0860 65 MgCO3,aq 0.28251E-13 -13.5490 0.28251E-13 -13.5490 0.10000E+01 0.0000 66 Mg(HCO3)+ 0.90455E-11 -11.0436 0.74375E-11 -11.1286 0.82223E+00 -0.0850 67 MgCl+ 0.25381E-12 -12.5955 0.20869E-12 -12.6805 0.82223E+00 -0.0850 68 MgF+ 0.60305E-12 -12.2196 0.49585E-12 -12.3047 0.82223E+00 -0.0850 69 MgOH+ 0.67941E-14 -14.1679 0.55863E-14 -14.2529 0.82223E+00 -0.0850 71 MnF+ 0.45537E-11 -11.3416 0.37442E-11 -11.4266 0.82223E+00 -0.0850 72 MnO,aq 0.12836E-15 -15.8916 0.12836E-15 -15.8916 0.10000E+01 0.0000 73 MnOH+ 0.12631E-11 -11.8986 0.10385E-11 -11.9836 0.82223E+00 -0.0850 78 MnCl+ 0.25836E-10 -10.5878 0.21243E-10 -10.6728 0.82223E+00 -0.0850 79 MnSO4,aq 0.45926E-09 -9.3379 0.45926E-09 -9.3379 0.10000E+01 0.0000 80 NaCl,aq 0.21672E-04 -4.6641 0.21672E-04 -4.6641 0.10000E+01 0.0000 81 NaF,aq 0.98655E-06 -6.0059 0.98655E-06 -6.0059 0.10000E+01 0.0000 82 NaOH,aq 0.27972E-08 -8.5533 0.27972E-08 -8.5533 0.10000E+01 0.0000 84 OH- 0.25448E-06 -6.5943 0.20831E-06 -6.6813 0.81855E+00 -0.0870 89 HPO3-2 0.41256E-19 -19.3845 0.19971E-19 -19.6996 0.48408E+00 -0.3151 91 H2PO3- 0.13527E-18 -18.8688 0.11097E-18 -18.9548 0.82033E+00 -0.0860 92 H3PO4,aq 0.38274E-10 -10.4171 0.38274E-10 -10.4171 0.10000E+01 0.0000 93 H2PO4- 0.44362E-07 -7.3530 0.36434E-07 -7.4385 0.82127E+00 -0.0855 94 PO4-3 0.99869E-15 -15.0006 0.20988E-15 -15.6780 0.21015E+00 -0.6775 96 H3P2O7- 0.10859E-18 -18.9642 0.89081E-19 -19.0502 0.82033E+00 -0.0860 97 H2P2O7-2 0.21523E-15 -15.6671 0.10419E-15 -15.9822 0.48408E+00 -0.3151 98 HP2O7-3 0.37863E-16 -16.4218 0.75080E-17 -17.1245 0.19830E+00 -0.7027 99 P2O7-4 0.10965E-19 -19.9600 0.64732E-21 -21.1889 0.59033E-01 -1.2289 100 H2S,aq 0.12474E-01 -1.9040 0.12282E-01 -1.9107 0.98464E+00 -0.0067 101 S2-2 0.10483E-07 -7.9795 0.50745E-08 -8.2946 0.48408E+00 -0.3151 102 S3-2 0.19313E-07 -7.7142 0.93488E-08 -8.0292 0.48408E+00 -0.3151 103 S3- 0.22335E-06 -6.6510 0.18322E-06 -6.7370 0.82033E+00 -0.0860 104 S4-2 0.23503E-07 -7.6289 0.11377E-07 -7.9440 0.48408E+00 -0.3151 105 S5-2 0.19072E-07 -7.7196 0.92326E-08 -8.0347 0.48408E+00 -0.3151 106 SO2,aq 0.51535E-12 -12.2879 0.51535E-12 -12.2879 0.10000E+01 0.0000 107 SO3-2 0.39613E-11 -11.4022 0.19511E-11 -11.7097 0.49256E+00 -0.3075 108 HSO3- 0.41265E-09 -9.3844 0.33851E-09 -9.4704 0.82033E+00 -0.0860 109 HSO4- 0.54171E-05 -5.2662 0.44594E-05 -5.3507 0.82321E+00 -0.0845 111 S2O3-2 0.49823E-06 -6.3026 0.24118E-06 -6.6177 0.48408E+00 -0.3151 112 HS2O3- 0.14566E-09 -9.8367 0.11949E-09 -9.9227 0.82033E+00 -0.0860 113 H2S2O3,aq 0.53078E-14 -14.2751 0.53078E-14 -14.2751 0.10000E+01 0.0000 121 S4O6-2 0.21798E-16 -16.6616 0.10552E-16 -16.9767 0.48408E+00 -0.3151 Charge balance for all species = -.6060E-08 Component Molality Aq.molality ppm log[A(N)/A(H+)**Z] (total) 1 H+ 0.3353201E-05 0.5617204E-01 0.5638980E+02 0.0000 2 H2O 0.1000000E+01 0.5546456E+02 0.9951826E+06 0.0000 3 Cl- 0.4414482E-02 0.4436165E-02 0.1566413E+03 3.1163 4 SO4-- 0.3440933E-02 0.3451005E-02 0.3301727E+03 8.3375 5 HCO3- 0.8831588E-02 0.5251708E-01 0.3191527E+04 3.4182 6 HS- 0.1748028E-02 0.1422312E-01 0.4684908E+03 2.7140 7 Al+++ 0.2266014E-13 0.1136834E-07 0.3054982E-03 2.3241 8 H4SiO4 0.1022555E-02 0.1023076E-02 0.9793698E+02 -2.9903 9 Ca++ 0.1670852E-06 0.2289516E-06 0.9138930E-02 4.0198 10 Mg++ 0.8213772E-10 0.9207563E-10 0.2229518E-05 0.7090 11 Fe++ 0.1354921E-13 0.1378125E-13 0.7665389E-09 -3.0730 12 K+ 0.1514519E-03 0.1553929E-03 0.6051677E+01 1.6525 13 Na+ 0.2201835E-01 0.2204111E-01 0.5046781E+03 3.8141 14 Mn++ 0.1986869E-08 0.2477779E-08 0.1355755E-03 2.0937 15 F- 0.2851673E-03 0.2905814E-03 0.5498211E+01 1.9254 16 HPO4-- 0.1468400E-08 0.4586897E-07 0.4384711E-02 1.9677 Component Tot moles Aq. moles Solid moles Gas moles 1 H+ 0.5103788E-01 0.5105217E-01 -.1428691E-04 0.0000000E+00 2 H2O 0.5038674E+02 0.5040918E+02 -.2243451E-01 0.0000000E+00 3 Cl- 0.4031825E-02 0.4031825E-02 0.0000000E+00 0.0000000E+00 4 SO4-- 0.3136467E-02 0.3136459E-02 0.8148064E-08 0.0000000E+00 5 HCO3- 0.4773035E-01 0.4773035E-01 0.0000000E+00 0.0000000E+00 6 HS- 0.1292679E-01 0.1292674E-01 0.5703645E-07 0.0000000E+00 7 Al+++ 0.4775352E-05 0.1033215E-07 0.4765020E-05 0.0000000E+00 8 H4SiO4 0.1215302E-01 0.9298268E-03 0.1122319E-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 0.1252514E-13 0.3259226E-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- 0.2640960E-03 0.2640960E-03 0.0000000E+00 0.0000000E+00 16 HPO4-- 0.4168819E-07 0.4168819E-07 0.0000000E+00 0.0000000E+00 Chg. balance for solid moles: 0.1323E-22 Mass of aqueous solution: 0.912532E+03 g Temperature = 100.00 C Pressure = 50.00 bar Mixer frac. = 0.6599900 Log Log Vol Gas or mineral Moles Moles Grams Grams Wt.% (cm3) kaolinite 0.2383E-05 -5.623 0.6151E-03 -3.211 0.9117E-01 0.2367E-03 pyrite 0.3259E-07 -7.487 0.3910E-05 -5.408 0.5796E-03 0.7802E-06 quartz 0.1122E-01 -1.950 0.6740 -0.171 99.91 0.2545 Partial press. Fugacity coef Log fugacity Gas or Mineral Mole fraction or activity Activity coef Log activity kaolinite 0.1000E+01 0.1000E+01 1.0000 0.000 pyrite 0.1000E+01 0.1000E+01 1.0000 0.000 quartz 0.1000E+01 0.1000E+01 1.0000 0.000 Solid products produced: Mass = 0.674622 g Volume = 0.254770 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: 0.6599900 moles log = -0.1805 Original solution: 1000.0103000 g Original solution / Rock added: 1515.19 (Water/Rock Ratio), log = 3.1805 Gas composition at saturation ( 2 iterations) ------------------------------------------------- Temperature: 100.0000 deg.C Sat. pressure: 6.0715 bar Gas Mole fraction phi Fugacity Partial P(bar) H2O,gas 0.1731E+00 0.9564 0.1005E+01 0.1051E+01 CO2,gas 0.7700E+00 0.9844 0.4602E+01 0.4675E+01 CH4,gas 0.1455E-05 1.0078 0.8903E-05 0.8834E-05 H2,gas 0.1936E-05 1.0032 0.1179E-04 0.1175E-04 H2S,gas 0.5693E-01 0.9767 0.3376E+00 0.3457E+00 S2,gas 0.5068E-11 1.0000 0.3077E-10 0.3077E-10 CO,gas 0.2384E-08 1.0000 0.1448E-07 0.1448E-07 SO3,gas 0.7993E-30 1.0000 0.4853E-29 0.4853E-29 SO2,gas 0.3671E-12 1.0000 0.2229E-11 0.2229E-11 HF,gas 0.1790E-08 1.0000 0.1087E-07 0.1087E-07 HCl,gas 0.5344E-12 1.0000 0.3244E-11 0.3244E-11 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 101 kaolinite -1.33 -1.33 0.00 0.000 0.56870E-11 145 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 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 -1.697 0.28973E+04 0.002 2 CO2,gas -6.66 -7.70 -1.04 -0.345 0.17690E+04 0.663 3 CH4,gas 4.54 -2.21 -6.75 -1.687 0.11524E+05 -5.050 4 H2,gas 8.00 1.37 -6.63 -3.787 0.11316E+05 -4.928 5 H2S,gas -6.23 -8.40 -2.17 -1.085 0.37061E+04 -0.472 6 S2,gas -7.34 -19.55 -12.21 -1.879 0.20850E+05 -10.512 7 CO,gas 3.21 -6.32 -9.54 -2.935 0.16286E+05 -7.839 8 SO3,gas 17.12 -13.89 -31.01 -7.753 0.52954E+05 -29.314 9 SO2,gas 0.83 -12.52 -13.35 -3.560 0.22796E+05 -11.652 10 HF,gas 0.47 -9.19 -9.66 -4.831 0.16499E+05 -7.964 11 HCl,gas 5.19 -8.00 -13.19 -6.594 0.22518E+05 -11.489 16 albite-high 0.69 -2.83 -3.52 -0.271 0.60172E+04 17 albite -0.38 -2.83 -2.45 -0.188 0.41784E+04 21 analcite 3.32 0.16 -3.16 -0.352 0.54022E+04 22 andalusite 5.00 1.66 -3.34 -0.334 0.57098E+04 25 anhydrite -5.32 -9.87 -4.56 -2.278 0.77782E+04 38 aragonite 0.97 -3.68 -4.64 -1.548 0.79282E+04 40 calcite 0.81 -3.68 -4.49 -1.496 0.76640E+04 57 coesite -2.38 -2.99 -0.61 -0.204 0.10473E+04 62 corundum 8.38 4.65 -3.74 -0.340 0.63794E+04 64 cristobalite -2.56 -2.99 -0.43 -0.143 0.73267E+03 68 diaspore 2.87 2.32 -0.55 -0.092 0.93984E+03 69 diamond -3.10 -4.95 -1.85 -0.528 0.31556E+04 86 gibbsite 4.08 2.32 -1.76 -0.251 0.29991E+04 89 graphite -3.55 -4.95 -1.40 -0.401 0.23979E+04 98 jadeite 4.22 0.16 -4.06 -0.406 0.69269E+04 102 kyanite 4.88 1.66 -3.22 -0.322 0.54957E+04 119 microcline -2.49 -4.99 -2.51 -0.193 0.42789E+04 123 muscovite 2.58 -0.35 -2.93 -0.172 0.50001E+04 124 paragonite 4.24 1.82 -2.42 -0.143 0.41387E+04 149 pyrophyllite -6.18 -7.31 -1.14 -0.071 0.19387E+04 154 rhodochrosite -0.98 -5.60 -4.63 -1.542 0.78998E+04 156 sanidine -1.28 -4.99 -3.72 -0.286 0.63467E+04 159 sillimanite 5.26 1.66 -3.60 -0.360 0.61537E+04 166 stilbite -7.52 -12.26 -4.74 -0.226 0.80946E+04 172 sulfur -9.15 -9.77 -0.62 -0.191 0.10600E+04 180 topaz-H 4.62 1.66 -2.96 -0.269 0.50565E+04 181 tridymite -2.63 -2.99 -0.36 -0.121 0.61998E+03 196 beidellite-Ca -1.65 -4.89 -3.25 -0.201 0.55478E+04 197 beidellite-H -2.33 -5.56 -3.23 -0.206 0.55182E+04 198 beidellite-K -1.52 -5.01 -3.49 -0.214 0.59632E+04 199 beidellite-Mg -1.79 -5.44 -3.65 -0.226 0.62344E+04 200 beidellite-Na -1.34 -4.30 -2.96 -0.181 0.50492E+04 202 chalcedony -2.80 -2.99 -0.19 -0.062 0.31930E+03 203 dawsonite 1.68 -1.56 -3.24 -0.405 0.55340E+04 204 montmorillonite-Ca -2.29 -7.18 -4.89 -0.303 0.83499E+04 207 montmorillonite-Na -2.04 -6.59 -4.55 -0.278 0.77652E+04 214 topaz -16.55 -16.72 -0.17 -0.019 0.29797E+03 218 gypsum -4.96 -9.87 -4.92 -1.229 0.83973E+04 237 boehmite 4.41 2.32 -2.08 -0.347 0.35568E+04 240 fluorite -9.93 -14.36 -4.43 -1.476 0.75610E+04 245 silica-amorphous -2.09 -2.99 -0.90 -0.299 0.15335E+04 247 an20ab80 2.02 -1.73 -3.75 -0.288 0.63946E+04 248 an25ab75 2.65 -1.45 -4.10 -0.315 0.69956E+04 249 an30ab70 3.28 -1.18 -4.45 -0.343 0.76062E+04 Calculations done for 100.0000 Deg. C; 50.0000 bar Next reactant titration increment of: 0.0200000 MOLES Current total amount of reactant added: 0.6599900 MOLES New total amount of reactant added: 0.6799900 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 = 6 Loop limit = 400 Temperature = 100.00 C Pressure = 50.00 bar Mixer fraction = 0.6799900 Water: Moles liquid = 0.5047E+02 kg liquid = 0.9092E+00 Moles total = 0.5040E+02 kg total = 0.9080E+00 Activity = 0.9989 Stoichiometric ionic strength = .5504961E-01 Osmotic coef. = 0.8847 True ionic strength = .2571028E-01 Chg. balance for total moles = -.5508E-08 Max. difference allowed = 0.4150E-06 Log Log Log Species(n) Molality Molality Activity Activity Gamma Gamma 1 H+ 0.36146E-05 -5.4419 0.29861E-05 -5.5249 0.82610E+00 -0.0830 2 H2O 0.99895E+00 -0.0005 0.99895E+00 -0.0005 3 Cl- 0.45421E-02 -2.3427 0.37249E-02 -2.4289 0.82008E+00 -0.0861 4 SO4-- 0.35440E-02 -2.4505 0.17181E-02 -2.7649 0.48480E+00 -0.3144 5 HCO3- 0.85433E-02 -2.0684 0.70187E-02 -2.1537 0.82154E+00 -0.0854 6 HS- 0.16853E-02 -2.7733 0.13823E-02 -2.8594 0.82023E+00 -0.0861 7 Al+++ 0.28432E-13 -13.5462 0.56169E-14 -14.2505 0.19755E+00 -0.7043 8 H4SiO4 0.10225E-02 -2.9903 0.10225E-02 -2.9903 0.10000E+01 0.0000 9 Ca++ 0.16661E-06 -6.7783 0.80051E-07 -7.0966 0.48047E+00 -0.3183 10 Mg++ 0.82363E-10 -10.0843 0.39353E-10 -10.4050 0.47780E+00 -0.3208 11 Fe++ 0.14098E-13 -13.8508 0.67451E-14 -14.1710 0.47844E+00 -0.3202 12 K+ 0.15129E-03 -3.8202 0.12432E-03 -3.9054 0.82177E+00 -0.0852 13 Na+ 0.22010E-01 -1.6574 0.18046E-01 -1.7436 0.81989E+00 -0.0862 14 Mn++ 0.19754E-08 -8.7043 0.94606E-09 -9.0241 0.47892E+00 -0.3197 15 F- 0.29336E-03 -3.5326 0.23998E-03 -3.6198 0.81804E+00 -0.0872 16 HPO4-- 0.13662E-08 -8.8645 0.66244E-09 -9.1789 0.48489E+00 -0.3144 18 HSiO3- 0.39028E-06 -6.4086 0.32006E-06 -6.4948 0.82008E+00 -0.0861 19 Ca(HSiO3)+ 0.70986E-12 -12.1488 0.58349E-12 -12.2340 0.82198E+00 -0.0851 20 Mg(HSiO3)+ 0.43429E-15 -15.3622 0.35698E-15 -15.4474 0.82198E+00 -0.0851 21 NaHSiO3,aq 0.93415E-07 -7.0296 0.93415E-07 -7.0296 0.10000E+01 0.0000 22 AlO+ 0.10415E-09 -9.9824 0.85608E-10 -10.0675 0.82198E+00 -0.0851 23 AlOH+2 0.26547E-11 -11.5760 0.12729E-11 -11.8952 0.47948E+00 -0.3192 24 HAlO2,aq 0.57034E-08 -8.2439 0.57034E-08 -8.2439 0.10000E+01 0.0000 25 AlO2- 0.51668E-08 -8.2868 0.42279E-08 -8.3739 0.81829E+00 -0.0871 26 CH4,aq 0.55670E-08 -8.2544 0.54796E-08 -8.2613 0.98431E+00 -0.0069 27 C2H6,aq 0.60132E-18 -18.2209 0.59189E-18 -18.2278 0.98431E+00 -0.0069 31 CO,aq 0.97769E-11 -11.0098 0.97769E-11 -11.0098 0.10000E+01 0.0000 32 CO2,aq 0.45545E-01 -1.3416 0.44830E-01 -1.3484 0.98431E+00 -0.0069 33 CO3-2 0.42457E-06 -6.3720 0.20530E-06 -6.6876 0.48356E+00 -0.3156 34 CaCO3,aq 0.20607E-09 -9.6860 0.20607E-09 -9.6860 0.10000E+01 0.0000 35 Ca(HCO3)+ 0.17448E-07 -7.7583 0.14342E-07 -7.8434 0.82198E+00 -0.0851 36 CaCl+ 0.58705E-09 -9.2313 0.48255E-09 -9.3165 0.82198E+00 -0.0851 37 CaCl2,aq 0.42703E-12 -12.3695 0.42703E-12 -12.3695 0.10000E+01 0.0000 38 CaF+ 0.34121E-09 -9.4670 0.28047E-09 -9.5521 0.82198E+00 -0.0851 39 CaOH+ 0.23219E-11 -11.6342 0.19086E-11 -11.7193 0.82198E+00 -0.0851 40 CaSO4,aq 0.43675E-07 -7.3598 0.43675E-07 -7.3598 0.10000E+01 0.0000 41 HCl,aq 0.20382E-08 -8.6908 0.20382E-08 -8.6908 0.10000E+01 0.0000 45 HF,aq 0.49056E-05 -5.3093 0.49056E-05 -5.3093 0.10000E+01 0.0000 46 HF2- 0.48466E-09 -9.3146 0.39746E-09 -9.4007 0.82008E+00 -0.0861 48 FeCl+ 0.48381E-16 -16.3153 0.39768E-16 -16.4005 0.82198E+00 -0.0851 51 FeF+ 0.10063E-15 -15.9973 0.82717E-16 -16.0824 0.82198E+00 -0.0851 53 FeO,aq 0.29370E-19 -19.5321 0.29370E-19 -19.5321 0.10000E+01 0.0000 54 FeOH+ 0.89358E-16 -16.0489 0.73451E-16 -16.1340 0.82198E+00 -0.0851 59 HFeO2,aq 0.16379E-19 -19.7857 0.16379E-19 -19.7857 0.10000E+01 0.0000 60 H2,aq 0.88107E-08 -8.0550 0.86724E-08 -8.0619 0.98431E+00 -0.0069 61 KCl,aq 0.83931E-08 -8.0761 0.83931E-08 -8.0761 0.10000E+01 0.0000 62 KHSO4,aq 0.18034E-11 -11.7439 0.18034E-11 -11.7439 0.10000E+01 0.0000 63 KOH,aq 0.17762E-10 -10.7505 0.17762E-10 -10.7505 0.10000E+01 0.0000 64 KSO4- 0.40418E-05 -5.3934 0.33146E-05 -5.4796 0.82008E+00 -0.0861 65 MgCO3,aq 0.25393E-13 -13.5953 0.25393E-13 -13.5953 0.10000E+01 0.0000 66 Mg(HCO3)+ 0.87645E-11 -11.0573 0.72043E-11 -11.1424 0.82198E+00 -0.0851 67 MgCl+ 0.26157E-12 -12.5824 0.21500E-12 -12.6676 0.82198E+00 -0.0851 68 MgF+ 0.62137E-12 -12.2067 0.51076E-12 -12.2918 0.82198E+00 -0.0851 69 MgOH+ 0.63163E-14 -14.1995 0.51919E-14 -14.2847 0.82198E+00 -0.0851 71 MnF+ 0.46522E-11 -11.3323 0.38241E-11 -11.4175 0.82198E+00 -0.0851 72 MnO,aq 0.10976E-15 -15.9595 0.10976E-15 -15.9595 0.10000E+01 0.0000 73 MnOH+ 0.11643E-11 -11.9339 0.95703E-12 -12.0191 0.82198E+00 -0.0851 78 MnCl+ 0.26400E-10 -10.5784 0.21700E-10 -10.6635 0.82198E+00 -0.0851 79 MnSO4,aq 0.46926E-09 -9.3286 0.46926E-09 -9.3286 0.10000E+01 0.0000 80 NaCl,aq 0.22276E-04 -4.6522 0.22276E-04 -4.6522 0.10000E+01 0.0000 81 NaF,aq 0.10139E-05 -5.9940 0.10139E-05 -5.9940 0.10000E+01 0.0000 82 NaOH,aq 0.25938E-08 -8.5861 0.25938E-08 -8.5861 0.10000E+01 0.0000 84 OH- 0.23621E-06 -6.6267 0.19329E-06 -6.7138 0.81829E+00 -0.0871 89 HPO3-2 0.37063E-19 -19.4311 0.17922E-19 -19.7466 0.48356E+00 -0.3156 91 H2PO3- 0.13086E-18 -18.8832 0.10732E-18 -18.9693 0.82008E+00 -0.0861 92 H3PO4,aq 0.41311E-10 -10.3839 0.41311E-10 -10.3839 0.10000E+01 0.0000 93 H2PO4- 0.44445E-07 -7.3522 0.36491E-07 -7.4378 0.82103E+00 -0.0856 94 PO4-3 0.86322E-15 -15.0639 0.18100E-15 -15.7423 0.20968E+00 -0.6784 96 H3P2O7- 0.11743E-18 -18.9302 0.96304E-19 -19.0164 0.82008E+00 -0.0861 97 H2P2O7-2 0.21614E-15 -15.6653 0.10452E-15 -15.9808 0.48356E+00 -0.3156 98 HP2O7-3 0.35331E-16 -16.4518 0.69890E-17 -17.1556 0.19782E+00 -0.7037 100 H2S,aq 0.12961E-01 -1.8874 0.12757E-01 -1.8942 0.98431E+00 -0.0069 101 S2-2 0.10097E-07 -7.9958 0.48823E-08 -8.3114 0.48356E+00 -0.3156 102 S3-2 0.20010E-07 -7.6987 0.96761E-08 -8.0143 0.48356E+00 -0.3156 103 S3- 0.25360E-06 -6.5958 0.20797E-06 -6.6820 0.82008E+00 -0.0861 104 S4-2 0.26197E-07 -7.5818 0.12668E-07 -7.8973 0.48356E+00 -0.3156 105 S5-2 0.22869E-07 -7.6408 0.11058E-07 -7.9563 0.48356E+00 -0.3156 106 SO2,aq 0.59460E-12 -12.2258 0.59460E-12 -12.2258 0.10000E+01 0.0000 107 SO3-2 0.39393E-11 -11.4046 0.19383E-11 -11.7126 0.49205E+00 -0.3080 108 HSO3- 0.44191E-09 -9.3547 0.36240E-09 -9.4408 0.82008E+00 -0.0861 109 HSO4- 0.60079E-05 -5.2213 0.49443E-05 -5.3059 0.82296E+00 -0.0846 111 S2O3-2 0.53303E-06 -6.2732 0.25775E-06 -6.5888 0.48356E+00 -0.3156 112 HS2O3- 0.16781E-09 -9.7752 0.13762E-09 -9.8613 0.82008E+00 -0.0861 113 H2S2O3,aq 0.65877E-14 -14.1813 0.65877E-14 -14.1813 0.10000E+01 0.0000 121 S4O6-2 0.29976E-16 -16.5232 0.14495E-16 -16.8388 0.48356E+00 -0.3156 Charge balance for all species = -.6058E-08 Component Molality Aq.molality ppm log[A(N)/A(H+)**Z] (total) 1 H+ 0.3614642E-05 0.5852054E-01 0.5874195E+02 0.0000 2 H2O 0.1000000E+01 0.5546270E+02 0.9950568E+06 0.0000 3 Cl- 0.4542076E-02 0.4564363E-02 0.1611530E+03 3.0960 4 SO4-- 0.3543976E-02 0.3554809E-02 0.3400724E+03 8.2849 5 HCO3- 0.8543337E-02 0.5408871E-01 0.3286732E+04 3.3712 6 HS- 0.1685320E-02 0.1464753E-01 0.4824256E+03 2.6655 7 Al+++ 0.2843209E-13 0.1097694E-07 0.2949530E-03 2.3242 8 H4SiO4 0.1022469E-02 0.1022952E-02 0.9791602E+02 -2.9903 9 Ca++ 0.1666095E-06 0.2288696E-06 0.9134808E-02 3.9532 10 Mg++ 0.8236306E-10 0.9204264E-10 0.2228513E-05 0.6448 11 Fe++ 0.1409831E-13 0.1433673E-13 0.7973614E-09 -3.1212 12 K+ 0.1512870E-03 0.1553372E-03 0.6048947E+01 1.6195 13 Na+ 0.2200983E-01 0.2203322E-01 0.5044504E+03 3.7813 14 Mn++ 0.1975418E-08 0.2476892E-08 0.1355143E-03 2.0257 15 F- 0.2933557E-03 0.2992765E-03 0.5662207E+01 1.9051 16 HPO4-- 0.1366178E-08 0.4585254E-07 0.4382733E-02 1.8709 Component Tot moles Aq. moles Solid moles Gas moles 1 H+ 0.5319138E-01 0.5320567E-01 -.1428797E-04 0.0000000E+00 2 H2O 0.5040312E+02 0.5042555E+02 -.2243406E-01 0.0000000E+00 3 Cl- 0.4149825E-02 0.4149825E-02 0.0000000E+00 0.0000000E+00 4 SO4-- 0.3231967E-02 0.3231959E-02 0.8148064E-08 0.0000000E+00 5 HCO3- 0.4917635E-01 0.4917635E-01 0.0000000E+00 0.0000000E+00 6 HS- 0.1331729E-01 0.1331724E-01 0.5703645E-07 0.0000000E+00 7 Al+++ 0.4775352E-05 0.9980012E-08 0.4765372E-05 0.0000000E+00 8 H4SiO4 0.1215302E-01 0.9300474E-03 0.1122297E-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 0.1303466E-13 0.3259226E-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- 0.2720960E-03 0.2720960E-03 0.0000000E+00 0.0000000E+00 16 HPO4-- 0.4168819E-07 0.4168819E-07 0.0000000E+00 0.0000000E+00 Chg. balance for solid moles: 0.6750E-21 Mass of aqueous solution: 0.912944E+03 g Temperature = 100.00 C Pressure = 50.00 bar Mixer frac. = 0.6799900 Log Log Vol Gas or mineral Moles Moles Grams Grams Wt.% (cm3) kaolinite 0.2383E-05 -5.623 0.6151E-03 -3.211 0.9118E-01 0.2367E-03 pyrite 0.3259E-07 -7.487 0.3910E-05 -5.408 0.5797E-03 0.7802E-06 quartz 0.1122E-01 -1.950 0.6740 -0.171 99.91 0.2545 Partial press. Fugacity coef Log fugacity Gas or Mineral Mole fraction or activity Activity coef Log activity kaolinite 0.1000E+01 0.1000E+01 1.0000 0.000 pyrite 0.1000E+01 0.1000E+01 1.0000 0.000 quartz 0.1000E+01 0.1000E+01 1.0000 0.000 Solid products produced: Mass = 0.674609 g Volume = 0.254765 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: 0.6799900 moles log = -0.1675 Original solution: 1000.0103000 g Original solution / Rock added: 1470.63 (Water/Rock Ratio), log = 3.1675 Gas composition at saturation ( 2 iterations) ------------------------------------------------- Temperature: 100.0000 deg.C Sat. pressure: 6.2869 bar Gas Mole fraction phi Fugacity Partial P(bar) H2O,gas 0.1673E+00 0.9554 0.1005E+01 0.1052E+01 CO2,gas 0.7755E+00 0.9837 0.4796E+01 0.4876E+01 CH4,gas 0.1273E-05 1.0079 0.8066E-05 0.8002E-05 H2,gas 0.1805E-05 1.0034 0.1139E-04 0.1135E-04 H2S,gas 0.5716E-01 0.9759 0.3507E+00 0.3593E+00 S2,gas 0.5664E-11 1.0000 0.3561E-10 0.3561E-10 CO,gas 0.2317E-08 1.0000 0.1457E-07 0.1457E-07 SO3,gas 0.9223E-30 1.0000 0.5799E-29 0.5799E-29 SO2,gas 0.4090E-12 1.0000 0.2571E-11 0.2571E-11 HF,gas 0.1916E-08 1.0000 0.1204E-07 0.1204E-07 HCl,gas 0.5721E-12 1.0000 0.3596E-11 0.3596E-11 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 101 kaolinite -1.33 -1.33 0.00 0.000 -0.64453E-11 145 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 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 -1.697 0.28973E+04 0.002 2 CO2,gas -6.66 -7.68 -1.02 -0.339 0.17383E+04 0.681 3 CH4,gas 4.54 -2.25 -6.79 -1.698 0.11598E+05 -5.093 4 H2,gas 8.00 1.36 -6.64 -3.796 0.11342E+05 -4.944 5 H2S,gas -6.23 -8.38 -2.15 -1.077 0.36780E+04 -0.455 6 S2,gas -7.34 -19.48 -12.15 -1.869 0.20741E+05 -10.448 7 CO,gas 3.21 -6.32 -9.54 -2.934 0.16282E+05 -7.837 8 SO3,gas 17.12 -13.81 -30.94 -7.734 0.52822E+05 -29.237 9 SO2,gas 0.83 -12.46 -13.29 -3.544 0.22690E+05 -11.590 10 HF,gas 0.47 -9.14 -9.62 -4.809 0.16423E+05 -7.919 11 HCl,gas 5.19 -7.95 -13.14 -6.572 0.22441E+05 -11.444 16 albite-high 0.69 -2.86 -3.56 -0.274 0.60731E+04 17 albite -0.38 -2.86 -2.48 -0.191 0.42343E+04 21 analcite 3.32 0.13 -3.20 -0.355 0.54582E+04 22 andalusite 5.00 1.66 -3.34 -0.334 0.57097E+04 25 anhydrite -5.32 -9.86 -4.54 -2.272 0.77601E+04 38 aragonite 0.97 -3.73 -4.69 -1.564 0.80115E+04 40 calcite 0.81 -3.73 -4.54 -1.512 0.77472E+04 57 coesite -2.38 -2.99 -0.61 -0.204 0.10473E+04 62 corundum 8.38 4.65 -3.74 -0.340 0.63793E+04 64 cristobalite -2.56 -2.99 -0.43 -0.143 0.73267E+03 68 diaspore 2.87 2.32 -0.55 -0.092 0.93982E+03 69 diamond -3.10 -4.96 -1.86 -0.532 0.31769E+04 86 gibbsite 4.08 2.32 -1.76 -0.251 0.29992E+04 89 graphite -3.55 -4.96 -1.42 -0.405 0.24191E+04 98 jadeite 4.22 0.13 -4.09 -0.409 0.69829E+04 102 kyanite 4.88 1.66 -3.22 -0.322 0.54956E+04 119 microcline -2.49 -5.03 -2.54 -0.195 0.43354E+04 123 muscovite 2.58 -0.38 -2.96 -0.174 0.50566E+04 124 paragonite 4.24 1.78 -2.46 -0.145 0.41946E+04 149 pyrophyllite -6.18 -7.31 -1.14 -0.071 0.19386E+04 154 rhodochrosite -0.98 -5.65 -4.68 -1.559 0.79852E+04 156 sanidine -1.28 -5.03 -3.75 -0.288 0.64032E+04 159 sillimanite 5.26 1.66 -3.60 -0.360 0.61536E+04 166 stilbite -7.52 -12.33 -4.81 -0.229 0.82086E+04 172 sulfur -9.15 -9.74 -0.59 -0.181 0.10059E+04 180 topaz-H 4.62 1.66 -2.96 -0.269 0.50565E+04 181 tridymite -2.63 -2.99 -0.36 -0.121 0.61998E+03 196 beidellite-Ca -1.65 -4.91 -3.26 -0.202 0.55665E+04 197 beidellite-H -2.33 -5.56 -3.23 -0.206 0.55181E+04 198 beidellite-K -1.52 -5.02 -3.50 -0.215 0.59818E+04 199 beidellite-Mg -1.79 -5.45 -3.66 -0.227 0.62525E+04 200 beidellite-Na -1.34 -4.31 -2.97 -0.182 0.50677E+04 202 chalcedony -2.80 -2.99 -0.19 -0.062 0.31930E+03 203 dawsonite 1.68 -1.57 -3.26 -0.407 0.55594E+04 204 montmorillonite-Ca -2.29 -7.21 -4.92 -0.305 0.84049E+04 207 montmorillonite-Na -2.04 -6.62 -4.58 -0.280 0.78198E+04 214 topaz -16.55 -16.63 -0.09 -0.009 0.14543E+03 218 gypsum -4.96 -9.86 -4.91 -1.227 0.83792E+04 237 boehmite 4.41 2.32 -2.08 -0.347 0.35567E+04 240 fluorite -9.93 -14.34 -4.41 -1.469 0.75224E+04 245 silica-amorphous -2.09 -2.99 -0.90 -0.299 0.15335E+04 247 an20ab80 2.02 -1.77 -3.78 -0.291 0.64621E+04 248 an25ab75 2.65 -1.49 -4.14 -0.318 0.70660E+04 249 an30ab70 3.28 -1.22 -4.50 -0.346 0.76796E+04 Calculations done for 100.0000 Deg. C; 50.0000 bar Next reactant titration increment of: 0.0200000 MOLES Current total amount of reactant added: 0.6799900 MOLES New total amount of reactant added: 0.6999900 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 = 6 Loop limit = 400 Temperature = 100.00 C Pressure = 50.00 bar Mixer fraction = 0.6999900 Water: Moles liquid = 0.5049E+02 kg liquid = 0.9095E+00 Moles total = 0.5042E+02 kg total = 0.9083E+00 Activity = 0.9989 Stoichiometric ionic strength = .5632173E-01 Osmotic coef. = 0.8839 True ionic strength = .2580479E-01 Chg. balance for total moles = -.5508E-08 Max. difference allowed = 0.4268E-06 Log Log Log Species(n) Molality Molality Activity Activity Gamma Gamma 1 H+ 0.38945E-05 -5.4096 0.32163E-05 -5.4926 0.82587E+00 -0.0831 2 H2O 0.99890E+00 -0.0005 0.99890E+00 -0.0005 3 Cl- 0.46696E-02 -2.3307 0.38283E-02 -2.4170 0.81984E+00 -0.0863 4 SO4-- 0.36469E-02 -2.4381 0.17661E-02 -2.7530 0.48428E+00 -0.3149 5 HCO3- 0.82548E-02 -2.0833 0.67796E-02 -2.1688 0.82130E+00 -0.0855 6 HS- 0.16233E-02 -2.7896 0.13311E-02 -2.8758 0.81998E+00 -0.0862 7 Al+++ 0.35619E-13 -13.4483 0.70198E-14 -14.1537 0.19708E+00 -0.7054 8 H4SiO4 0.10224E-02 -2.9904 0.10224E-02 -2.9904 0.10000E+01 0.0000 9 Ca++ 0.16614E-06 -6.7795 0.79737E-07 -7.0983 0.47994E+00 -0.3188 10 Mg++ 0.82589E-10 -10.0831 0.39417E-10 -10.4043 0.47727E+00 -0.3212 11 Fe++ 0.14700E-13 -13.8327 0.70251E-14 -14.1533 0.47791E+00 -0.3207 12 K+ 0.15112E-03 -3.8207 0.12415E-03 -3.9060 0.82153E+00 -0.0854 13 Na+ 0.22001E-01 -1.6576 0.18033E-01 -1.7439 0.81964E+00 -0.0864 14 Mn++ 0.19641E-08 -8.7068 0.93962E-09 -9.0270 0.47839E+00 -0.3202 15 F- 0.30149E-03 -3.5207 0.24656E-03 -3.6081 0.81779E+00 -0.0874 16 HPO4-- 0.12715E-08 -8.8957 0.61587E-09 -9.2105 0.48437E+00 -0.3148 18 HSiO3- 0.36243E-06 -6.4408 0.29714E-06 -6.5270 0.81984E+00 -0.0863 19 Ca(HSiO3)+ 0.65662E-12 -12.1827 0.53957E-12 -12.2680 0.82174E+00 -0.0853 20 Mg(HSiO3)+ 0.40396E-15 -15.3937 0.33195E-15 -15.4789 0.82174E+00 -0.0853 21 NaHSiO3,aq 0.86663E-07 -7.0622 0.86663E-07 -7.0622 0.10000E+01 0.0000 22 AlO+ 0.11222E-09 -9.9499 0.92215E-10 -10.0352 0.82174E+00 -0.0853 23 AlOH+2 0.30835E-11 -11.5110 0.14769E-11 -11.8307 0.47896E+00 -0.3197 24 HAlO2,aq 0.57035E-08 -8.2439 0.57035E-08 -8.2439 0.10000E+01 0.0000 25 AlO2- 0.47984E-08 -8.3189 0.39253E-08 -8.4061 0.81804E+00 -0.0872 26 CH4,aq 0.50386E-08 -8.2977 0.49578E-08 -8.3047 0.98397E+00 -0.0070 27 C2H6,aq 0.50995E-18 -18.2925 0.50177E-18 -18.2995 0.98397E+00 -0.0070 31 CO,aq 0.98236E-11 -11.0077 0.98236E-11 -11.0077 0.10000E+01 0.0000 32 CO2,aq 0.47404E-01 -1.3242 0.46644E-01 -1.3312 0.98397E+00 -0.0070 33 CO3-2 0.38116E-06 -6.4189 0.18411E-06 -6.7349 0.48303E+00 -0.3160 34 CaCO3,aq 0.18408E-09 -9.7350 0.18408E-09 -9.7350 0.10000E+01 0.0000 35 Ca(HCO3)+ 0.16792E-07 -7.7749 0.13799E-07 -7.8602 0.82174E+00 -0.0853 36 CaCl+ 0.60116E-09 -9.2210 0.49400E-09 -9.3063 0.82174E+00 -0.0853 37 CaCl2,aq 0.44930E-12 -12.3475 0.44930E-12 -12.3475 0.10000E+01 0.0000 38 CaF+ 0.34930E-09 -9.4568 0.28704E-09 -9.5421 0.82174E+00 -0.0853 39 CaOH+ 0.21478E-11 -11.6680 0.17649E-11 -11.7533 0.82174E+00 -0.0853 40 CaSO4,aq 0.44719E-07 -7.3495 0.44719E-07 -7.3495 0.10000E+01 0.0000 41 HCl,aq 0.22563E-08 -8.6466 0.22563E-08 -8.6466 0.10000E+01 0.0000 45 HF,aq 0.54288E-05 -5.2653 0.54288E-05 -5.2653 0.10000E+01 0.0000 46 HF2- 0.55123E-09 -9.2587 0.45191E-09 -9.3449 0.81984E+00 -0.0863 48 FeCl+ 0.51803E-16 -16.2856 0.42569E-16 -16.3709 0.82174E+00 -0.0853 51 FeF+ 0.10771E-15 -15.9677 0.88513E-16 -16.0530 0.82174E+00 -0.0853 53 FeO,aq 0.26364E-19 -19.5790 0.26364E-19 -19.5790 0.10000E+01 0.0000 54 FeOH+ 0.86426E-16 -16.0634 0.71020E-16 -16.1486 0.82174E+00 -0.0853 59 HFeO2,aq 0.14961E-19 -19.8250 0.14961E-19 -19.8250 0.10000E+01 0.0000 60 H2,aq 0.85109E-08 -8.0700 0.83745E-08 -8.0770 0.98397E+00 -0.0070 61 KCl,aq 0.86142E-08 -8.0648 0.86142E-08 -8.0648 0.10000E+01 0.0000 62 KHSO4,aq 0.19940E-11 -11.7003 0.19940E-11 -11.7003 0.10000E+01 0.0000 63 KOH,aq 0.16466E-10 -10.7834 0.16466E-10 -10.7834 0.10000E+01 0.0000 64 KSO4- 0.41502E-05 -5.3819 0.34025E-05 -5.4682 0.81984E+00 -0.0863 65 MgCO3,aq 0.22809E-13 -13.6419 0.22809E-13 -13.6419 0.10000E+01 0.0000 66 Mg(HCO3)+ 0.84823E-11 -11.0715 0.69702E-11 -11.1568 0.82174E+00 -0.0853 67 MgCl+ 0.26935E-12 -12.5697 0.22133E-12 -12.6550 0.82174E+00 -0.0853 68 MgF+ 0.63964E-12 -12.1941 0.52562E-12 -12.2793 0.82174E+00 -0.0853 69 MgOH+ 0.58751E-14 -14.2310 0.48278E-14 -14.3162 0.82174E+00 -0.0853 71 MnF+ 0.47487E-11 -11.3234 0.39022E-11 -11.4087 0.82174E+00 -0.0853 72 MnO,aq 0.93961E-16 -16.0271 0.93961E-16 -16.0271 0.10000E+01 0.0000 73 MnOH+ 0.10739E-11 -11.9691 0.88243E-12 -12.0543 0.82174E+00 -0.0853 78 MnCl+ 0.26956E-10 -10.5693 0.22151E-10 -10.6546 0.82174E+00 -0.0853 79 MnSO4,aq 0.47908E-09 -9.3196 0.47908E-09 -9.3196 0.10000E+01 0.0000 80 NaCl,aq 0.22879E-04 -4.6406 0.22879E-04 -4.6406 0.10000E+01 0.0000 81 NaF,aq 0.10409E-05 -5.9826 0.10409E-05 -5.9826 0.10000E+01 0.0000 82 NaOH,aq 0.24063E-08 -8.6187 0.24063E-08 -8.6187 0.10000E+01 0.0000 84 OH- 0.21935E-06 -6.6589 0.17944E-06 -6.7461 0.81804E+00 -0.0872 89 HPO3-2 0.33311E-19 -19.4774 0.16091E-19 -19.7934 0.48303E+00 -0.3160 91 H2PO3- 0.12659E-18 -18.8976 0.10378E-18 -18.9839 0.81984E+00 -0.0863 92 H3PO4,aq 0.44559E-10 -10.3511 0.44559E-10 -10.3511 0.10000E+01 0.0000 93 H2PO4- 0.44520E-07 -7.3514 0.36541E-07 -7.4372 0.82078E+00 -0.0858 94 PO4-3 0.74675E-15 -15.1268 0.15623E-15 -15.8062 0.20921E+00 -0.6794 96 H3P2O7- 0.12688E-18 -18.8966 0.10402E-18 -18.9829 0.81984E+00 -0.0863 97 H2P2O7-2 0.21699E-15 -15.6636 0.10481E-15 -15.9796 0.48303E+00 -0.3160 98 HP2O7-3 0.32973E-16 -16.4818 0.65070E-17 -17.1866 0.19734E+00 -0.7048 100 H2S,aq 0.13447E-01 -1.8714 0.13231E-01 -1.8784 0.98397E+00 -0.0070 101 S2-2 0.97048E-08 -8.0130 0.46877E-08 -8.3290 0.48303E+00 -0.3160 102 S3-2 0.20658E-07 -7.6849 0.99784E-08 -8.0009 0.48303E+00 -0.3160 103 S3- 0.28675E-06 -6.5425 0.23508E-06 -6.6288 0.81984E+00 -0.0863 104 S4-2 0.29047E-07 -7.5369 0.14031E-07 -7.8529 0.48303E+00 -0.3160 105 S5-2 0.27234E-07 -7.5649 0.13155E-07 -7.8809 0.48303E+00 -0.3160 106 SO2,aq 0.68482E-12 -12.1644 0.68482E-12 -12.1644 0.10000E+01 0.0000 107 SO3-2 0.39145E-11 -11.4073 0.19241E-11 -11.7158 0.49154E+00 -0.3084 108 HSO3- 0.47264E-09 -9.3255 0.38749E-09 -9.4117 0.81984E+00 -0.0863 109 HSO4- 0.66539E-05 -5.1769 0.54744E-05 -5.2617 0.82272E+00 -0.0847 111 S2O3-2 0.56891E-06 -6.2450 0.27480E-06 -6.5610 0.48303E+00 -0.3160 112 HS2O3- 0.19277E-09 -9.7150 0.15804E-09 -9.8012 0.81984E+00 -0.0863 113 H2S2O3,aq 0.81486E-14 -14.0889 0.81486E-14 -14.0889 0.10000E+01 0.0000 121 S4O6-2 0.40983E-16 -16.3874 0.19796E-16 -16.7034 0.48303E+00 -0.3160 Charge balance for all species = -.6056E-08 Component Molality Aq.molality ppm log[A(N)/A(H+)**Z] (total) 1 H+ 0.3894479E-05 0.6086735E-01 0.6109197E+02 0.0000 2 H2O 0.1000000E+01 0.5546084E+02 0.9949311E+06 0.0000 3 Cl- 0.4669579E-02 0.4692469E-02 0.1656607E+03 3.0756 4 SO4-- 0.3646885E-02 0.3658538E-02 0.3499632E+03 8.2323 5 HCO3- 0.8254778E-02 0.5565922E-01 0.3381851E+04 3.3238 6 HS- 0.1623277E-02 0.1507164E-01 0.4963478E+03 2.6168 7 Al+++ 0.3561946E-13 0.1061725E-07 0.2852614E-03 2.3242 8 H4SiO4 0.1022382E-02 0.1022832E-02 0.9789536E+02 -2.9904 9 Ca++ 0.1661388E-06 0.2287876E-06 0.9130689E-02 3.8869 10 Mg++ 0.8258932E-10 0.9200968E-10 0.2227508E-05 0.5810 11 Fe++ 0.1469974E-13 0.1494573E-13 0.8311549E-09 -3.1681 12 K+ 0.1511227E-03 0.1552816E-03 0.6046220E+01 1.5866 13 Na+ 0.2200132E-01 0.2202533E-01 0.5042230E+03 3.7487 14 Mn++ 0.1964143E-08 0.2476005E-08 0.1354532E-03 1.9582 15 F- 0.3014941E-03 0.3079653E-03 0.5826056E+01 1.8846 16 HPO4-- 0.1271492E-08 0.4583612E-07 0.4380757E-02 1.7748 Component Tot moles Aq. moles Solid moles Gas moles 1 H+ 0.5534488E-01 0.5535917E-01 -.1428894E-04 0.0000000E+00 2 H2O 0.5041949E+02 0.5044192E+02 -.2243362E-01 0.0000000E+00 3 Cl- 0.4267825E-02 0.4267825E-02 0.0000000E+00 0.0000000E+00 4 SO4-- 0.3327467E-02 0.3327459E-02 0.8148064E-08 0.0000000E+00 5 HCO3- 0.5062235E-01 0.5062235E-01 0.0000000E+00 0.0000000E+00 6 HS- 0.1370779E-01 0.1370774E-01 0.5703645E-07 0.0000000E+00 7 Al+++ 0.4775352E-05 0.9656439E-08 0.4765696E-05 0.0000000E+00 8 H4SiO4 0.1215302E-01 0.9302706E-03 0.1122275E-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 0.1359322E-13 0.3259226E-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- 0.2800960E-03 0.2800960E-03 0.0000000E+00 0.0000000E+00 16 HPO4-- 0.4168819E-07 0.4168819E-07 0.0000000E+00 0.0000000E+00 Chg. balance for solid moles: 0.7941E-21 Mass of aqueous solution: 0.913356E+03 g Temperature = 100.00 C Pressure = 50.00 bar Mixer frac. = 0.6999900 Log Log Vol Gas or mineral Moles Moles Grams Grams Wt.% (cm3) kaolinite 0.2383E-05 -5.623 0.6152E-03 -3.211 0.9119E-01 0.2367E-03 pyrite 0.3259E-07 -7.487 0.3910E-05 -5.408 0.5797E-03 0.7802E-06 quartz 0.1122E-01 -1.950 0.6740 -0.171 99.91 0.2545 Partial press. Fugacity coef Log fugacity Gas or Mineral Mole fraction or activity Activity coef Log activity kaolinite 0.1000E+01 0.1000E+01 1.0000 0.000 pyrite 0.1000E+01 0.1000E+01 1.0000 0.000 quartz 0.1000E+01 0.1000E+01 1.0000 0.000 Solid products produced: Mass = 0.674596 g Volume = 0.254760 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: 0.6999900 moles log = -0.1549 Original solution: 1000.0103000 g Original solution / Rock added: 1428.61 (Water/Rock Ratio), log = 3.1549 Gas composition at saturation ( 2 iterations) ------------------------------------------------- Temperature: 100.0000 deg.C Sat. pressure: 6.5024 bar Gas Mole fraction phi Fugacity Partial P(bar) H2O,gas 0.1619E+00 0.9545 0.1005E+01 0.1053E+01 CO2,gas 0.7807E+00 0.9830 0.4990E+01 0.5077E+01 CH4,gas 0.1113E-05 1.0080 0.7298E-05 0.7240E-05 H2,gas 0.1685E-05 1.0035 0.1099E-04 0.1096E-04 H2S,gas 0.5736E-01 0.9751 0.3637E+00 0.3730E+00 S2,gas 0.6317E-11 1.0000 0.4108E-10 0.4108E-10 CO,gas 0.2251E-08 1.0000 0.1464E-07 0.1464E-07 SO3,gas 0.1064E-29 1.0000 0.6916E-29 0.6916E-29 SO2,gas 0.4554E-12 1.0000 0.2961E-11 0.2961E-11 HF,gas 0.2050E-08 1.0000 0.1333E-07 0.1333E-07 HCl,gas 0.6123E-12 1.0000 0.3981E-11 0.3981E-11 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 101 kaolinite -1.33 -1.33 0.00 0.000 0.56870E-11 145 pyrite -21.25 -21.25 0.00 0.000 0.00000E+00 150 quartz -2.99 -2.99 0.00 0.000 0.00000E+00 214 topaz -16.55 -16.54 0.00 0.000 -0.49658E+01 The following gases and minerals are presently EXCLUDED from matrix (Gases and minerals with log(Q/K) less than -5 are not listed below) Gas or Mineral Log K Log Q Log(Q/K) Log(Q/K)/S Affinity Log Fugacity 1 H2O,gas 1.70 0.00 -1.70 -1.697 0.28973E+04 0.002 2 CO2,gas -6.66 -7.66 -1.00 -0.334 0.17089E+04 0.698 3 CH4,gas 4.54 -2.29 -6.84 -1.709 0.11672E+05 -5.137 4 H2,gas 8.00 1.34 -6.66 -3.804 0.11368E+05 -4.959 5 H2S,gas -6.23 -8.37 -2.14 -1.069 0.36509E+04 -0.439 6 S2,gas -7.34 -19.42 -12.09 -1.859 0.20635E+05 -10.386 7 CO,gas 3.21 -6.32 -9.53 -2.933 0.16278E+05 -7.834 8 SO3,gas 17.12 -13.74 -30.86 -7.715 0.52691E+05 -29.160 9 SO2,gas 0.83 -12.40 -13.23 -3.527 0.22586E+05 -11.529 10 HF,gas 0.47 -9.10 -9.57 -4.787 0.16348E+05 -7.875 11 HCl,gas 5.19 -7.91 -13.10 -6.549 0.22366E+05 -11.400 16 albite-high 0.69 -2.90 -3.59 -0.276 0.61287E+04 17 albite -0.38 -2.90 -2.51 -0.193 0.42899E+04 21 analcite 3.32 0.09 -3.23 -0.359 0.55138E+04 22 andalusite 5.00 1.66 -3.34 -0.334 0.57096E+04 25 anhydrite -5.32 -9.85 -4.53 -2.267 0.77426E+04 38 aragonite 0.97 -3.77 -4.74 -1.580 0.80952E+04 40 calcite 0.81 -3.77 -4.59 -1.529 0.78309E+04 57 coesite -2.38 -2.99 -0.61 -0.204 0.10473E+04 62 corundum 8.38 4.65 -3.74 -0.340 0.63792E+04 64 cristobalite -2.56 -2.99 -0.43 -0.143 0.73267E+03 68 diaspore 2.87 2.32 -0.55 -0.092 0.93981E+03 69 diamond -3.10 -4.98 -1.87 -0.535 0.31992E+04 86 gibbsite 4.08 2.32 -1.76 -0.251 0.29992E+04 89 graphite -3.55 -4.98 -1.43 -0.409 0.24415E+04 98 jadeite 4.22 0.09 -4.12 -0.412 0.70385E+04 102 kyanite 4.88 1.66 -3.22 -0.322 0.54955E+04 119 microcline -2.49 -5.06 -2.57 -0.198 0.43915E+04 123 muscovite 2.58 -0.41 -2.99 -0.176 0.51127E+04 124 paragonite 4.24 1.75 -2.49 -0.146 0.42502E+04 149 pyrophyllite -6.18 -7.31 -1.14 -0.071 0.19386E+04 154 rhodochrosite -0.98 -5.70 -4.73 -1.576 0.80710E+04 156 sanidine -1.28 -5.06 -3.78 -0.291 0.64593E+04 159 sillimanite 5.26 1.66 -3.60 -0.360 0.61536E+04 166 stilbite -7.52 -12.40 -4.87 -0.232 0.83219E+04 172 sulfur -9.15 -9.71 -0.56 -0.172 0.95291E+03 180 topaz-H 4.62 1.66 -2.96 -0.269 0.50564E+04 181 tridymite -2.63 -2.99 -0.36 -0.121 0.61998E+03 196 beidellite-Ca -1.65 -4.92 -3.27 -0.202 0.55852E+04 197 beidellite-H -2.33 -5.56 -3.23 -0.206 0.55181E+04 198 beidellite-K -1.52 -5.03 -3.51 -0.215 0.60003E+04 199 beidellite-Mg -1.79 -5.46 -3.67 -0.227 0.62704E+04 200 beidellite-Na -1.34 -4.32 -2.98 -0.182 0.50860E+04 202 chalcedony -2.80 -2.99 -0.19 -0.062 0.31930E+03 203 dawsonite 1.68 -1.59 -3.27 -0.409 0.55856E+04 204 montmorillonite-Ca -2.29 -7.25 -4.95 -0.306 0.84595E+04 207 montmorillonite-Na -2.04 -6.65 -4.61 -0.282 0.78741E+04 218 gypsum -4.96 -9.85 -4.90 -1.224 0.83618E+04 237 boehmite 4.41 2.32 -2.08 -0.347 0.35567E+04 240 fluorite -9.93 -14.31 -4.38 -1.461 0.74852E+04 245 silica-amorphous -2.09 -2.99 -0.90 -0.299 0.15335E+04 247 an20ab80 2.02 -1.81 -3.82 -0.294 0.65292E+04 248 an25ab75 2.65 -1.53 -4.18 -0.321 0.71360E+04 249 an30ab70 3.28 -1.26 -4.54 -0.349 0.77524E+04 ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ 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 = 6 Loop limit = 400 Temperature = 100.00 C Pressure = 50.00 bar Mixer fraction = 0.6999900 Water: Moles liquid = 0.5049E+02 kg liquid = 0.9095E+00 Moles total = 0.5042E+02 kg total = 0.9083E+00 Activity = 0.9989 Stoichiometric ionic strength = .5632123E-01 Osmotic coef. = 0.8839 True ionic strength = .2580479E-01 Chg. balance for total moles = -.5508E-08 Max. difference allowed = 0.4268E-06 Log Log Log Species(n) Molality Molality Activity Activity Gamma Gamma 1 H+ 0.38940E-05 -5.4096 0.32160E-05 -5.4927 0.82587E+00 -0.0831 2 H2O 0.99890E+00 -0.0005 0.99890E+00 -0.0005 3 Cl- 0.46696E-02 -2.3307 0.38283E-02 -2.4170 0.81984E+00 -0.0863 4 SO4-- 0.36469E-02 -2.4381 0.17661E-02 -2.7530 0.48428E+00 -0.3149 5 HCO3- 0.82556E-02 -2.0833 0.67803E-02 -2.1688 0.82130E+00 -0.0855 6 HS- 0.16234E-02 -2.7896 0.13312E-02 -2.8758 0.81998E+00 -0.0862 7 Al+++ 0.35607E-13 -13.4485 0.70174E-14 -14.1538 0.19708E+00 -0.7054 8 H4SiO4 0.10224E-02 -2.9904 0.10224E-02 -2.9904 0.10000E+01 0.0000 9 Ca++ 0.16614E-06 -6.7795 0.79737E-07 -7.0983 0.47994E+00 -0.3188 10 Mg++ 0.82590E-10 -10.0831 0.39418E-10 -10.4043 0.47727E+00 -0.3212 11 Fe++ 0.14698E-13 -13.8328 0.70240E-14 -14.1534 0.47791E+00 -0.3207 12 K+ 0.15112E-03 -3.8207 0.12415E-03 -3.9060 0.82153E+00 -0.0854 13 Na+ 0.22001E-01 -1.6576 0.18033E-01 -1.7439 0.81964E+00 -0.0864 14 Mn++ 0.19642E-08 -8.7068 0.93963E-09 -9.0270 0.47839E+00 -0.3202 15 F- 0.30052E-03 -3.5221 0.24576E-03 -3.6095 0.81779E+00 -0.0874 16 HPO4-- 0.12716E-08 -8.8956 0.61594E-09 -9.2105 0.48437E+00 -0.3148 18 HSiO3- 0.36247E-06 -6.4407 0.29717E-06 -6.5270 0.81984E+00 -0.0863 19 Ca(HSiO3)+ 0.65669E-12 -12.1826 0.53963E-12 -12.2679 0.82174E+00 -0.0853 20 Mg(HSiO3)+ 0.40401E-15 -15.3936 0.33200E-15 -15.4789 0.82174E+00 -0.0853 21 NaHSiO3,aq 0.86673E-07 -7.0621 0.86673E-07 -7.0621 0.10000E+01 0.0000 22 AlO+ 0.11221E-09 -9.9500 0.92204E-10 -10.0352 0.82174E+00 -0.0853 23 AlOH+2 0.30828E-11 -11.5111 0.14765E-11 -11.8308 0.47896E+00 -0.3197 24 HAlO2,aq 0.57035E-08 -8.2439 0.57035E-08 -8.2439 0.10000E+01 0.0000 25 AlO2- 0.47990E-08 -8.3189 0.39258E-08 -8.4061 0.81804E+00 -0.0872 26 CH4,aq 0.50396E-08 -8.2976 0.49588E-08 -8.3046 0.98397E+00 -0.0070 27 C2H6,aq 0.51012E-18 -18.2923 0.50195E-18 -18.2993 0.98397E+00 -0.0070 31 CO,aq 0.98239E-11 -11.0077 0.98239E-11 -11.0077 0.10000E+01 0.0000 32 CO2,aq 0.47403E-01 -1.3242 0.46644E-01 -1.3312 0.98397E+00 -0.0070 33 CO3-2 0.38124E-06 -6.4188 0.18415E-06 -6.7348 0.48303E+00 -0.3160 34 CaCO3,aq 0.18412E-09 -9.7349 0.18412E-09 -9.7349 0.10000E+01 0.0000 35 Ca(HCO3)+ 0.16794E-07 -7.7748 0.13800E-07 -7.8601 0.82174E+00 -0.0853 36 CaCl+ 0.60116E-09 -9.2210 0.49400E-09 -9.3063 0.82174E+00 -0.0853 37 CaCl2,aq 0.44930E-12 -12.3475 0.44930E-12 -12.3475 0.10000E+01 0.0000 38 CaF+ 0.34817E-09 -9.4582 0.28611E-09 -9.5435 0.82174E+00 -0.0853 39 CaOH+ 0.21480E-11 -11.6680 0.17651E-11 -11.7532 0.82174E+00 -0.0853 40 CaSO4,aq 0.44719E-07 -7.3495 0.44719E-07 -7.3495 0.10000E+01 0.0000 41 HCl,aq 0.22561E-08 -8.6467 0.22561E-08 -8.6467 0.10000E+01 0.0000 45 HF,aq 0.54106E-05 -5.2668 0.54106E-05 -5.2668 0.10000E+01 0.0000 46 HF2- 0.54761E-09 -9.2615 0.44895E-09 -9.3478 0.81984E+00 -0.0863 48 FeCl+ 0.51795E-16 -16.2857 0.42562E-16 -16.3710 0.82174E+00 -0.0853 51 FeF+ 0.10735E-15 -15.9692 0.88214E-16 -16.0545 0.82174E+00 -0.0853 53 FeO,aq 0.26366E-19 -19.5789 0.26366E-19 -19.5789 0.10000E+01 0.0000 54 FeOH+ 0.86423E-16 -16.0634 0.71017E-16 -16.1486 0.82174E+00 -0.0853 59 HFeO2,aq 0.14962E-19 -19.8250 0.14962E-19 -19.8250 0.10000E+01 0.0000 60 H2,aq 0.85114E-08 -8.0700 0.83750E-08 -8.0770 0.98397E+00 -0.0070 61 KCl,aq 0.86142E-08 -8.0648 0.86142E-08 -8.0648 0.10000E+01 0.0000 62 KHSO4,aq 0.19937E-11 -11.7003 0.19937E-11 -11.7003 0.10000E+01 0.0000 63 KOH,aq 0.16468E-10 -10.7834 0.16468E-10 -10.7834 0.10000E+01 0.0000 64 KSO4- 0.41502E-05 -5.3819 0.34025E-05 -5.4682 0.81984E+00 -0.0863 65 MgCO3,aq 0.22814E-13 -13.6418 0.22814E-13 -13.6418 0.10000E+01 0.0000 66 Mg(HCO3)+ 0.84832E-11 -11.0714 0.69710E-11 -11.1567 0.82174E+00 -0.0853 67 MgCl+ 0.26935E-12 -12.5697 0.22134E-12 -12.6549 0.82174E+00 -0.0853 68 MgF+ 0.63758E-12 -12.1955 0.52393E-12 -12.2807 0.82174E+00 -0.0853 69 MgOH+ 0.58759E-14 -14.2309 0.48285E-14 -14.3162 0.82174E+00 -0.0853 71 MnF+ 0.47334E-11 -11.3248 0.38896E-11 -11.4101 0.82174E+00 -0.0853 72 MnO,aq 0.93983E-16 -16.0270 0.93983E-16 -16.0270 0.10000E+01 0.0000 73 MnOH+ 0.10740E-11 -11.9690 0.88254E-12 -12.0543 0.82174E+00 -0.0853 78 MnCl+ 0.26956E-10 -10.5693 0.22151E-10 -10.6546 0.82174E+00 -0.0853 79 MnSO4,aq 0.47909E-09 -9.3196 0.47909E-09 -9.3196 0.10000E+01 0.0000 80 NaCl,aq 0.22879E-04 -4.6406 0.22879E-04 -4.6406 0.10000E+01 0.0000 81 NaF,aq 0.10376E-05 -5.9840 0.10376E-05 -5.9840 0.10000E+01 0.0000 82 NaOH,aq 0.24066E-08 -8.6186 0.24066E-08 -8.6186 0.10000E+01 0.0000 84 OH- 0.21938E-06 -6.6588 0.17946E-06 -6.7460 0.81804E+00 -0.0872 89 HPO3-2 0.33317E-19 -19.4773 0.16093E-19 -19.7934 0.48303E+00 -0.3160 91 H2PO3- 0.12659E-18 -18.8976 0.10378E-18 -18.9839 0.81984E+00 -0.0863 92 H3PO4,aq 0.44554E-10 -10.3511 0.44554E-10 -10.3511 0.10000E+01 0.0000 93 H2PO4- 0.44520E-07 -7.3514 0.36541E-07 -7.4372 0.82078E+00 -0.0858 94 PO4-3 0.74692E-15 -15.1267 0.15626E-15 -15.8061 0.20921E+00 -0.6794 96 H3P2O7- 0.12687E-18 -18.8966 0.10401E-18 -18.9829 0.81984E+00 -0.0863 97 H2P2O7-2 0.21699E-15 -15.6636 0.10481E-15 -15.9796 0.48303E+00 -0.3160 98 HP2O7-3 0.32977E-16 -16.4818 0.65077E-17 -17.1866 0.19734E+00 -0.7048 100 H2S,aq 0.13447E-01 -1.8714 0.13231E-01 -1.8784 0.98397E+00 -0.0070 101 S2-2 0.97062E-08 -8.0129 0.46884E-08 -8.3290 0.48303E+00 -0.3160 102 S3-2 0.20659E-07 -7.6849 0.99792E-08 -8.0009 0.48303E+00 -0.3160 103 S3- 0.28673E-06 -6.5425 0.23507E-06 -6.6288 0.81984E+00 -0.0863 104 S4-2 0.29047E-07 -7.5369 0.14031E-07 -7.8529 0.48303E+00 -0.3160 105 S5-2 0.27233E-07 -7.5649 0.13154E-07 -7.8809 0.48303E+00 -0.3160 106 SO2,aq 0.68470E-12 -12.1645 0.68470E-12 -12.1645 0.10000E+01 0.0000 107 SO3-2 0.39147E-11 -11.4073 0.19242E-11 -11.7157 0.49154E+00 -0.3084 108 HSO3- 0.47261E-09 -9.3255 0.38746E-09 -9.4118 0.81984E+00 -0.0863 109 HSO4- 0.66532E-05 -5.1770 0.54737E-05 -5.2617 0.82272E+00 -0.0847 111 S2O3-2 0.56890E-06 -6.2450 0.27480E-06 -6.5610 0.48303E+00 -0.3160 112 HS2O3- 0.19274E-09 -9.7150 0.15802E-09 -9.8013 0.81984E+00 -0.0863 113 H2S2O3,aq 0.81467E-14 -14.0890 0.81467E-14 -14.0890 0.10000E+01 0.0000 121 S4O6-2 0.40970E-16 -16.3875 0.19790E-16 -16.7036 0.48303E+00 -0.3160 Charge balance for all species = -.6056E-08 Component Molality Aq.molality ppm log[A(N)/A(H+)**Z] (total) 1 H+ 0.3894032E-05 0.6086636E-01 0.6109097E+02 0.0000 2 H2O 0.1000000E+01 0.5546085E+02 0.9949311E+06 0.0000 3 Cl- 0.4669579E-02 0.4692469E-02 0.1656607E+03 3.0757 4 SO4-- 0.3646886E-02 0.3658538E-02 0.3499632E+03 8.2324 5 HCO3- 0.8255586E-02 0.5565922E-01 0.3381850E+04 3.3239 6 HS- 0.1623443E-02 0.1507164E-01 0.4963478E+03 2.6169 7 Al+++ 0.3560719E-13 0.1061778E-07 0.2852758E-03 2.3242 8 H4SiO4 0.1022383E-02 0.1022832E-02 0.9789537E+02 -2.9904 9 Ca++ 0.1661384E-06 0.2287876E-06 0.9130689E-02 3.8870 10 Mg++ 0.8259043E-10 0.9200968E-10 0.2227508E-05 0.5811 11 Fe++ 0.1469753E-13 0.1494314E-13 0.8310108E-09 -3.1680 12 K+ 0.1511227E-03 0.1552816E-03 0.6046220E+01 1.5866 13 Na+ 0.2200132E-01 0.2202533E-01 0.5042229E+03 3.7488 14 Mn++ 0.1964155E-08 0.2476005E-08 0.1354532E-03 1.9583 15 F- 0.3005208E-03 0.3069705E-03 0.5807237E+01 1.8832 16 HPO4-- 0.1271634E-08 0.4583612E-07 0.4380756E-02 1.7749 Component Tot moles Aq. moles Solid moles Gas moles 1 H+ 0.5534488E-01 0.5535827E-01 -.1338417E-04 0.0000000E+00 2 H2O 0.5041949E+02 0.5044193E+02 -.2243497E-01 0.0000000E+00 3 Cl- 0.4267825E-02 0.4267825E-02 0.0000000E+00 0.0000000E+00 4 SO4-- 0.3327467E-02 0.3327459E-02 0.8148064E-08 0.0000000E+00 5 HCO3- 0.5062235E-01 0.5062235E-01 0.0000000E+00 0.0000000E+00 6 HS- 0.1370779E-01 0.1370774E-01 0.5703645E-07 0.0000000E+00 7 Al+++ 0.4775352E-05 0.9656928E-08 0.4765695E-05 0.0000000E+00 8 H4SiO4 0.1215302E-01 0.9302707E-03 0.1122275E-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 0.1359086E-13 0.3259226E-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- 0.2800960E-03 0.2791912E-03 0.9047655E-06 0.0000000E+00 16 HPO4-- 0.4168819E-07 0.4168819E-07 0.0000000E+00 0.0000000E+00 Chg. balance for solid moles: -.1059E-21 Mass of aqueous solution: 0.913356E+03 g Temperature = 100.00 C Pressure = 50.00 bar Mixer frac. = 0.6999900 Log Log Vol Gas or mineral Moles Moles Grams Grams Wt.% (cm3) kaolinite 0.1930E-05 -5.714 0.4984E-03 -3.302 0.7388E-01 0.1918E-03 pyrite 0.3259E-07 -7.487 0.3910E-05 -5.408 0.5797E-03 0.7802E-06 quartz 0.1122E-01 -1.950 0.6740 -0.171 99.91 0.2545 topaz 0.4524E-06 -6.344 0.8326E-04 -4.080 0.1234E-01 0.2331E-04 Partial press. Fugacity coef Log fugacity Gas or Mineral Mole fraction or activity Activity coef Log activity kaolinite 0.1000E+01 0.1000E+01 1.0000 0.000 pyrite 0.1000E+01 0.1000E+01 1.0000 0.000 quartz 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 = 0.674589 g Volume = 0.254749 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: 0.6999900 moles log = -0.1549 Original solution: 1000.0103000 g Original solution / Rock added: 1428.61 (Water/Rock Ratio), log = 3.1549 Gas composition at saturation ( 2 iterations) ------------------------------------------------- Temperature: 100.0000 deg.C Sat. pressure: 6.5023 bar Gas Mole fraction phi Fugacity Partial P(bar) H2O,gas 0.1619E+00 0.9545 0.1005E+01 0.1053E+01 CO2,gas 0.7807E+00 0.9830 0.4990E+01 0.5076E+01 CH4,gas 0.1114E-05 1.0080 0.7299E-05 0.7241E-05 H2,gas 0.1685E-05 1.0035 0.1100E-04 0.1096E-04 H2S,gas 0.5736E-01 0.9751 0.3637E+00 0.3730E+00 S2,gas 0.6317E-11 1.0000 0.4107E-10 0.4107E-10 CO,gas 0.2251E-08 1.0000 0.1464E-07 0.1464E-07 SO3,gas 0.1063E-29 1.0000 0.6914E-29 0.6914E-29 SO2,gas 0.4554E-12 1.0000 0.2961E-11 0.2961E-11 HF,gas 0.2043E-08 1.0000 0.1328E-07 0.1328E-07 HCl,gas 0.6122E-12 1.0000 0.3981E-11 0.3981E-11 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 101 kaolinite -1.33 -1.33 0.00 0.000 0.56870E-11 145 pyrite -21.25 -21.25 0.00 0.000 0.00000E+00 150 quartz -2.99 -2.99 0.00 0.000 0.00000E+00 214 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 -1.697 0.28973E+04 0.002 2 CO2,gas -6.66 -7.66 -1.00 -0.334 0.17089E+04 0.698 3 CH4,gas 4.54 -2.29 -6.84 -1.709 0.11672E+05 -5.137 4 H2,gas 8.00 1.34 -6.66 -3.804 0.11368E+05 -4.959 5 H2S,gas -6.23 -8.37 -2.14 -1.069 0.36509E+04 -0.439 6 S2,gas -7.34 -19.42 -12.09 -1.859 0.20636E+05 -10.386 7 CO,gas 3.21 -6.32 -9.53 -2.933 0.16278E+05 -7.834 8 SO3,gas 17.12 -13.74 -30.86 -7.715 0.52691E+05 -29.160 9 SO2,gas 0.83 -12.40 -13.23 -3.527 0.22586E+05 -11.529 10 HF,gas 0.47 -9.10 -9.58 -4.788 0.16350E+05 -7.877 11 HCl,gas 5.19 -7.91 -13.10 -6.549 0.22366E+05 -11.400 16 albite-high 0.69 -2.90 -3.59 -0.276 0.61286E+04 17 albite -0.38 -2.90 -2.51 -0.193 0.42898E+04 21 analcite 3.32 0.09 -3.23 -0.359 0.55137E+04 22 andalusite 5.00 1.66 -3.34 -0.334 0.57096E+04 25 anhydrite -5.32 -9.85 -4.53 -2.267 0.77426E+04 38 aragonite 0.97 -3.77 -4.74 -1.580 0.80950E+04 40 calcite 0.81 -3.77 -4.59 -1.529 0.78308E+04 57 coesite -2.38 -2.99 -0.61 -0.204 0.10473E+04 62 corundum 8.38 4.65 -3.74 -0.340 0.63792E+04 64 cristobalite -2.56 -2.99 -0.43 -0.143 0.73267E+03 68 diaspore 2.87 2.32 -0.55 -0.092 0.93981E+03 69 diamond -3.10 -4.98 -1.87 -0.535 0.31992E+04 86 gibbsite 4.08 2.32 -1.76 -0.251 0.29992E+04 89 graphite -3.55 -4.98 -1.43 -0.409 0.24414E+04 98 jadeite 4.22 0.09 -4.12 -0.412 0.70384E+04 102 kyanite 4.88 1.66 -3.22 -0.322 0.54955E+04 119 microcline -2.49 -5.06 -2.57 -0.198 0.43914E+04 123 muscovite 2.58 -0.41 -2.99 -0.176 0.51126E+04 124 paragonite 4.24 1.75 -2.49 -0.146 0.42501E+04 149 pyrophyllite -6.18 -7.31 -1.14 -0.071 0.19386E+04 154 rhodochrosite -0.98 -5.70 -4.73 -1.576 0.80709E+04 156 sanidine -1.28 -5.06 -3.78 -0.291 0.64592E+04 159 sillimanite 5.26 1.66 -3.60 -0.360 0.61536E+04 166 stilbite -7.52 -12.40 -4.87 -0.232 0.83217E+04 172 sulfur -9.15 -9.71 -0.56 -0.172 0.95296E+03 180 topaz-H 4.62 1.66 -2.96 -0.269 0.50564E+04 181 tridymite -2.63 -2.99 -0.36 -0.121 0.61998E+03 196 beidellite-Ca -1.65 -4.92 -3.27 -0.202 0.55851E+04 197 beidellite-H -2.33 -5.56 -3.23 -0.206 0.55181E+04 198 beidellite-K -1.52 -5.03 -3.51 -0.215 0.60003E+04 199 beidellite-Mg -1.79 -5.46 -3.67 -0.227 0.62704E+04 200 beidellite-Na -1.34 -4.32 -2.98 -0.182 0.50859E+04 202 chalcedony -2.80 -2.99 -0.19 -0.062 0.31930E+03 203 dawsonite 1.68 -1.59 -3.27 -0.409 0.55855E+04 204 montmorillonite-Ca -2.29 -7.25 -4.95 -0.306 0.84594E+04 207 montmorillonite-Na -2.04 -6.65 -4.61 -0.282 0.78740E+04 218 gypsum -4.96 -9.85 -4.90 -1.224 0.83618E+04 237 boehmite 4.41 2.32 -2.08 -0.347 0.35567E+04 240 fluorite -9.93 -14.32 -4.39 -1.462 0.74900E+04 245 silica-amorphous -2.09 -2.99 -0.90 -0.299 0.15335E+04 247 an20ab80 2.02 -1.81 -3.82 -0.294 0.65291E+04 248 an25ab75 2.65 -1.53 -4.18 -0.321 0.71359E+04 249 an30ab70 3.28 -1.26 -4.54 -0.349 0.77523E+04 Calculations done for 100.0000 Deg. C; 50.0000 bar Next reactant titration increment of: 0.0200000 MOLES Current total amount of reactant added: 0.6999900 MOLES New total amount of reactant added: 0.7199900 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 = 0.7199900 Water: Moles liquid = 0.5050E+02 kg liquid = 0.9098E+00 Moles total = 0.5044E+02 kg total = 0.9086E+00 Activity = 0.9989 Stoichiometric ionic strength = .5757789E-01 Osmotic coef. = 0.8831 True ionic strength = .2589930E-01 Chg. balance for total moles = -.5508E-08 Max. difference allowed = 0.4386E-06 Log Log Log Species(n) Molality Molality Activity Activity Gamma Gamma 1 H+ 0.41798E-05 -5.3788 0.34510E-05 -5.4621 0.82564E+00 -0.0832 2 H2O 0.99886E+00 -0.0005 0.99886E+00 -0.0005 3 Cl- 0.47970E-02 -2.3190 0.39316E-02 -2.4054 0.81959E+00 -0.0864 4 SO4-- 0.37497E-02 -2.4260 0.18140E-02 -2.7414 0.48377E+00 -0.3154 5 HCO3- 0.79905E-02 -2.0974 0.65606E-02 -2.1831 0.82105E+00 -0.0856 6 HS- 0.15669E-02 -2.8050 0.12844E-02 -2.8913 0.81973E+00 -0.0863 7 Al+++ 0.44109E-13 -13.3555 0.86719E-14 -14.0619 0.19660E+00 -0.7064 8 H4SiO4 0.10223E-02 -2.9904 0.10223E-02 -2.9904 0.10000E+01 0.0000 9 Ca++ 0.16566E-06 -6.7808 0.79421E-07 -7.1001 0.47942E+00 -0.3193 10 Mg++ 0.82850E-10 -10.0817 0.39498E-10 -10.4034 0.47674E+00 -0.3217 11 Fe++ 0.15287E-13 -13.8157 0.72979E-14 -14.1368 0.47738E+00 -0.3211 12 K+ 0.15096E-03 -3.8211 0.12398E-03 -3.9066 0.82128E+00 -0.0855 13 Na+ 0.21993E-01 -1.6577 0.18021E-01 -1.7442 0.81940E+00 -0.0865 14 Mn++ 0.19534E-08 -8.7092 0.93345E-09 -9.0299 0.47786E+00 -0.3207 15 F- 0.28012E-03 -3.5527 0.22901E-03 -3.6401 0.81754E+00 -0.0875 16 HPO4-- 0.11877E-08 -8.9253 0.57465E-09 -9.2406 0.48385E+00 -0.3153 18 HSiO3- 0.33788E-06 -6.4712 0.27692E-06 -6.5576 0.81959E+00 -0.0864 19 Ca(HSiO3)+ 0.60970E-12 -12.2149 0.50087E-12 -12.3003 0.82150E+00 -0.0854 20 Mg(HSiO3)+ 0.37736E-15 -15.4232 0.31000E-15 -15.5086 0.82150E+00 -0.0854 21 NaHSiO3,aq 0.80712E-07 -7.0931 0.80712E-07 -7.0931 0.10000E+01 0.0000 22 AlO+ 0.12045E-09 -9.9192 0.98949E-10 -10.0046 0.82150E+00 -0.0854 23 AlOH+2 0.35540E-11 -11.4493 0.17003E-11 -11.7695 0.47843E+00 -0.3202 24 HAlO2,aq 0.57036E-08 -8.2439 0.57036E-08 -8.2439 0.10000E+01 0.0000 25 AlO2- 0.44736E-08 -8.3493 0.36585E-08 -8.4367 0.81779E+00 -0.0874 26 CH4,aq 0.45822E-08 -8.3389 0.45073E-08 -8.3461 0.98365E+00 -0.0072 27 C2H6,aq 0.43586E-18 -18.3607 0.42873E-18 -18.3678 0.98365E+00 -0.0072 31 CO,aq 0.98670E-11 -11.0058 0.98670E-11 -11.0058 0.10000E+01 0.0000 32 CO2,aq 0.49238E-01 -1.3077 0.48433E-01 -1.3149 0.98365E+00 -0.0072 33 CO3-2 0.34414E-06 -6.4633 0.16605E-06 -6.7798 0.48251E+00 -0.3165 34 CaCO3,aq 0.16536E-09 -9.7816 0.16536E-09 -9.7816 0.10000E+01 0.0000 35 Ca(HCO3)+ 0.16190E-07 -7.7907 0.13300E-07 -7.8761 0.82150E+00 -0.0854 36 CaCl+ 0.61511E-09 -9.2110 0.50531E-09 -9.2964 0.82150E+00 -0.0854 37 CaCl2,aq 0.47199E-12 -12.3261 0.47199E-12 -12.3261 0.10000E+01 0.0000 38 CaF+ 0.32325E-09 -9.4905 0.26555E-09 -9.5759 0.82150E+00 -0.0854 39 CaOH+ 0.19943E-11 -11.7002 0.16383E-11 -11.7856 0.82150E+00 -0.0854 40 CaSO4,aq 0.45748E-07 -7.3396 0.45748E-07 -7.3396 0.10000E+01 0.0000 41 HCl,aq 0.24862E-08 -8.6045 0.24862E-08 -8.6045 0.10000E+01 0.0000 45 HF,aq 0.54103E-05 -5.2668 0.54103E-05 -5.2668 0.10000E+01 0.0000 46 HF2- 0.51041E-09 -9.2921 0.41832E-09 -9.3785 0.81959E+00 -0.0864 48 FeCl+ 0.55283E-16 -16.2574 0.45415E-16 -16.3428 0.82150E+00 -0.0854 51 FeF+ 0.10396E-15 -15.9831 0.85406E-16 -16.0685 0.82150E+00 -0.0854 53 FeO,aq 0.23789E-19 -19.6236 0.23789E-19 -19.6236 0.10000E+01 0.0000 54 FeOH+ 0.83698E-16 -16.0773 0.68758E-16 -16.1627 0.82150E+00 -0.0854 59 HFeO2,aq 0.13726E-19 -19.8625 0.13726E-19 -19.8625 0.10000E+01 0.0000 60 H2,aq 0.82353E-08 -8.0843 0.81007E-08 -8.0915 0.98365E+00 -0.0072 61 KCl,aq 0.88344E-08 -8.0538 0.88344E-08 -8.0538 0.10000E+01 0.0000 62 KHSO4,aq 0.21944E-11 -11.6587 0.21944E-11 -11.6587 0.10000E+01 0.0000 63 KOH,aq 0.15325E-10 -10.8146 0.15325E-10 -10.8146 0.10000E+01 0.0000 64 KSO4- 0.42581E-05 -5.3708 0.34899E-05 -5.4572 0.81959E+00 -0.0864 65 MgCO3,aq 0.20614E-13 -13.6858 0.20614E-13 -13.6858 0.10000E+01 0.0000 66 Mg(HCO3)+ 0.82275E-11 -11.0847 0.67589E-11 -11.1701 0.82150E+00 -0.0854 67 MgCl+ 0.27726E-12 -12.5571 0.22777E-12 -12.6425 0.82150E+00 -0.0854 68 MgF+ 0.59551E-12 -12.2251 0.48921E-12 -12.3105 0.82150E+00 -0.0854 69 MgOH+ 0.54882E-14 -14.2606 0.45086E-14 -14.3460 0.82150E+00 -0.0854 71 MnF+ 0.43831E-11 -11.3582 0.36007E-11 -11.4436 0.82150E+00 -0.0854 72 MnO,aq 0.81078E-16 -16.0911 0.81078E-16 -16.0911 0.10000E+01 0.0000 73 MnOH+ 0.99452E-12 -12.0024 0.81700E-12 -12.0878 0.82150E+00 -0.0854 78 MnCl+ 0.27510E-10 -10.5605 0.22599E-10 -10.6459 0.82150E+00 -0.0854 79 MnSO4,aq 0.48883E-09 -9.3108 0.48883E-09 -9.3108 0.10000E+01 0.0000 80 NaCl,aq 0.23480E-04 -4.6293 0.23480E-04 -4.6293 0.10000E+01 0.0000 81 NaF,aq 0.96620E-06 -6.0149 0.96620E-06 -6.0149 0.10000E+01 0.0000 82 NaOH,aq 0.22410E-08 -8.6495 0.22410E-08 -8.6495 0.10000E+01 0.0000 84 OH- 0.20449E-06 -6.6893 0.16723E-06 -6.7767 0.81779E+00 -0.0874 89 HPO3-2 0.30099E-19 -19.5214 0.14523E-19 -19.8379 0.48251E+00 -0.3165 91 H2PO3- 0.12263E-18 -18.9114 0.10050E-18 -18.9978 0.81959E+00 -0.0864 92 H3PO4,aq 0.47864E-10 -10.3200 0.47864E-10 -10.3200 0.10000E+01 0.0000 93 H2PO4- 0.44584E-07 -7.3508 0.36583E-07 -7.4367 0.82054E+00 -0.0859 94 PO4-3 0.65085E-15 -15.1865 0.13586E-15 -15.8669 0.20874E+00 -0.6804 96 H3P2O7- 0.13650E-18 -18.8649 0.11187E-18 -18.9513 0.81959E+00 -0.0864 97 H2P2O7-2 0.21773E-15 -15.6621 0.10506E-15 -15.9786 0.48251E+00 -0.3165 98 HP2O7-3 0.30877E-16 -16.5104 0.60786E-17 -17.2162 0.19687E+00 -0.7058 100 H2S,aq 0.13927E-01 -1.8561 0.13699E-01 -1.8633 0.98365E+00 -0.0072 101 S2-2 0.93521E-08 -8.0291 0.45125E-08 -8.3456 0.48251E+00 -0.3165 102 S3-2 0.21307E-07 -7.6715 0.10281E-07 -7.9880 0.48251E+00 -0.3165 103 S3- 0.32241E-06 -6.4916 0.26425E-06 -6.5780 0.81959E+00 -0.0864 104 S4-2 0.32068E-07 -7.4939 0.15473E-07 -7.8104 0.48251E+00 -0.3165 105 S5-2 0.32183E-07 -7.4924 0.15529E-07 -7.8089 0.48251E+00 -0.3165 106 SO2,aq 0.78333E-12 -12.1061 0.78333E-12 -12.1061 0.10000E+01 0.0000 107 SO3-2 0.38932E-11 -11.4097 0.19117E-11 -11.7186 0.49103E+00 -0.3089 108 HSO3- 0.50400E-09 -9.2976 0.41307E-09 -9.3840 0.81959E+00 -0.0864 109 HSO4- 0.73349E-05 -5.1346 0.60329E-05 -5.2195 0.82248E+00 -0.0849 111 S2O3-2 0.60566E-06 -6.2178 0.29224E-06 -6.5343 0.48251E+00 -0.3165 112 HS2O3- 0.22002E-09 -9.6575 0.18032E-09 -9.7439 0.81959E+00 -0.0864 113 H2S2O3,aq 0.99762E-14 -14.0010 0.99762E-14 -14.0010 0.10000E+01 0.0000 121 S4O6-2 0.55221E-16 -16.2579 0.26645E-16 -16.5744 0.48251E+00 -0.3165 Charge balance for all species = -.6053E-08 Component Molality Aq.molality ppm log[A(N)/A(H+)**Z] (total) 1 H+ 0.4179782E-05 0.6318232E-01 0.6340961E+02 0.0000 2 H2O 0.1000000E+01 0.5545901E+02 0.9948061E+06 0.0000 3 Cl- 0.4796990E-02 0.4820482E-02 0.1701642E+03 3.0566 4 SO4-- 0.3749682E-02 0.3762191E-02 0.3598450E+03 8.1827 5 HCO3- 0.7990465E-02 0.5722858E-01 0.3476883E+04 3.2790 6 HS- 0.1566862E-02 0.1549544E-01 0.5102573E+03 2.5708 7 Al+++ 0.4410872E-13 0.1030126E-07 0.2767460E-03 2.3243 8 H4SiO4 0.1022297E-02 0.1022716E-02 0.9787524E+02 -2.9904 9 Ca++ 0.1656608E-06 0.2287056E-06 0.9126572E-02 3.8240 10 Mg++ 0.8285001E-10 0.9197671E-10 0.2226503E-05 0.5207 11 Fe++ 0.1528747E-13 0.1553046E-13 0.8635925E-09 -3.2127 12 K+ 0.1509590E-03 0.1552259E-03 0.6043494E+01 1.5554 13 Na+ 0.2199291E-01 0.2201744E-01 0.5039956E+03 3.7178 14 Mn++ 0.1953400E-08 0.2475117E-08 0.1353921E-03 1.8942 15 F- 0.2801229E-03 0.2865007E-03 0.5419490E+01 1.8219 16 HPO4-- 0.1187656E-08 0.4581970E-07 0.4378781E-02 1.6835 Component Tot moles Aq. moles Solid moles Gas moles 1 H+ 0.5749838E-01 0.5748524E-01 0.1313891E-04 0.0000000E+00 2 H2O 0.5043586E+02 0.5045834E+02 -.2247430E-01 0.0000000E+00 3 Cl- 0.4385825E-02 0.4385825E-02 0.0000000E+00 0.0000000E+00 4 SO4-- 0.3422967E-02 0.3422959E-02 0.8148064E-08 0.0000000E+00 5 HCO3- 0.5206835E-01 0.5206835E-01 0.0000000E+00 0.0000000E+00 6 HS- 0.1409829E-01 0.1409824E-01 0.5703645E-07 0.0000000E+00 7 Al+++ 0.4775352E-05 0.9372409E-08 0.4765980E-05 0.0000000E+00 8 H4SiO4 0.1215302E-01 0.9304989E-03 0.1122252E-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 0.1413009E-13 0.3259226E-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- 0.2880960E-03 0.2606673E-03 0.2742870E-04 0.0000000E+00 16 HPO4-- 0.4168819E-07 0.4168819E-07 0.0000000E+00 0.0000000E+00 Chg. balance for solid moles: -.3388E-20 Mass of aqueous solution: 0.913768E+03 g Temperature = 100.00 C Pressure = 50.00 bar Mixer frac. = 0.7199900 Log Log Vol Gas or mineral Moles Moles Grams Grams Wt.% (cm3) kaolinite -.1133E-04 1.000 -.2925E-02 1.000 -.4338 -.1126E-02 pyrite 0.3259E-07 -7.487 0.3910E-05 -5.408 0.5798E-03 0.7802E-06 quartz 0.1123E-01 -1.950 0.6748 -0.171 100.1 0.2548 topaz 0.1371E-04 -4.863 0.2524E-02 -2.598 0.3743 0.7066E-03 Partial press. Fugacity coef Log fugacity Gas or Mineral Mole fraction or activity Activity coef Log activity kaolinite 0.1000E+01 0.1000E+01 1.0000 0.000 pyrite 0.1000E+01 0.1000E+01 1.0000 0.000 quartz 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 = 0.674389 g Volume = 0.254411 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: 0.7199900 moles log = -0.1427 Original solution: 1000.0103000 g Original solution / Rock added: 1388.92 (Water/Rock Ratio), log = 3.1427 Gas composition at saturation ( 2 iterations) ------------------------------------------------- Temperature: 100.0000 deg.C Sat. pressure: 6.7150 bar Gas Mole fraction phi Fugacity Partial P(bar) H2O,gas 0.1569E+00 0.9535 0.1005E+01 0.1054E+01 CO2,gas 0.7855E+00 0.9824 0.5182E+01 0.5275E+01 CH4,gas 0.9801E-06 1.0081 0.6634E-05 0.6581E-05 H2,gas 0.1578E-05 1.0036 0.1064E-04 0.1060E-04 H2S,gas 0.5756E-01 0.9743 0.3766E+00 0.3865E+00 S2,gas 0.7009E-11 1.0000 0.4706E-10 0.4706E-10 CO,gas 0.2190E-08 1.0000 0.1470E-07 0.1470E-07 SO3,gas 0.1218E-29 1.0000 0.8178E-29 0.8178E-29 SO2,gas 0.5045E-12 1.0000 0.3387E-11 0.3387E-11 HF,gas 0.1978E-08 1.0000 0.1328E-07 0.1328E-07 HCl,gas 0.6533E-12 1.0000 0.4387E-11 0.4387E-11 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+00 214 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 -1.697 0.28974E+04 0.002 2 CO2,gas -6.66 -7.64 -0.98 -0.328 0.16810E+04 0.714 3 CH4,gas 4.54 -2.33 -6.88 -1.719 0.11743E+05 -5.178 4 H2,gas 8.00 1.33 -6.67 -3.813 0.11393E+05 -4.973 5 H2S,gas -6.23 -8.35 -2.12 -1.062 0.36252E+04 -0.424 6 S2,gas -7.34 -19.36 -12.03 -1.850 0.20535E+05 -10.327 7 CO,gas 3.21 -6.32 -9.53 -2.933 0.16275E+05 -7.833 8 SO3,gas 17.12 -13.66 -30.79 -7.697 0.52567E+05 -29.087 9 SO2,gas 0.83 -12.34 -13.17 -3.512 0.22486E+05 -11.470 10 HF,gas 0.47 -9.10 -9.58 -4.788 0.16350E+05 -7.877 11 HCl,gas 5.19 -7.87 -13.06 -6.528 0.22294E+05 -11.358 16 albite-high 0.69 -2.93 -3.62 -0.278 0.61814E+04 17 albite -0.38 -2.93 -2.54 -0.196 0.43426E+04 21 analcite 3.32 0.06 -3.26 -0.362 0.55665E+04 22 andalusite 5.00 1.66 -3.34 -0.334 0.57096E+04 25 anhydrite -5.32 -9.84 -4.52 -2.262 0.77257E+04 38 aragonite 0.97 -3.82 -4.79 -1.596 0.81747E+04 40 calcite 0.81 -3.82 -4.63 -1.544 0.79105E+04 57 coesite -2.38 -2.99 -0.61 -0.204 0.10473E+04 62 corundum 8.38 4.65 -3.74 -0.340 0.63792E+04 64 cristobalite -2.56 -2.99 -0.43 -0.143 0.73267E+03 68 diaspore 2.87 2.32 -0.55 -0.092 0.93979E+03 69 diamond -3.10 -4.99 -1.89 -0.539 0.32206E+04 86 gibbsite 4.08 2.32 -1.76 -0.251 0.29992E+04 89 graphite -3.55 -4.99 -1.44 -0.412 0.24628E+04 98 jadeite 4.22 0.06 -4.15 -0.415 0.70912E+04 101 kaolinite -1.33 -1.33 0.00 0.000 0.56870E-11 102 kyanite 4.88 1.66 -3.22 -0.322 0.54955E+04 119 microcline -2.49 -5.09 -2.60 -0.200 0.44447E+04 123 muscovite 2.58 -0.44 -3.03 -0.178 0.51658E+04 124 paragonite 4.24 1.72 -2.52 -0.148 0.43028E+04 149 pyrophyllite -6.18 -7.31 -1.14 -0.071 0.19386E+04 154 rhodochrosite -0.98 -5.75 -4.77 -1.592 0.81525E+04 156 sanidine -1.28 -5.09 -3.81 -0.293 0.65125E+04 159 sillimanite 5.26 1.66 -3.60 -0.360 0.61535E+04 166 stilbite -7.52 -12.46 -4.94 -0.235 0.84295E+04 172 sulfur -9.15 -9.68 -0.53 -0.163 0.90249E+03 180 topaz-H 4.62 1.66 -2.96 -0.269 0.50564E+04 181 tridymite -2.63 -2.99 -0.36 -0.121 0.61998E+03 196 beidellite-Ca -1.65 -4.93 -3.28 -0.203 0.56029E+04 197 beidellite-H -2.33 -5.56 -3.23 -0.206 0.55181E+04 198 beidellite-K -1.52 -5.04 -3.52 -0.216 0.60179E+04 199 beidellite-Mg -1.79 -5.47 -3.68 -0.228 0.62873E+04 200 beidellite-Na -1.34 -4.33 -2.99 -0.183 0.51033E+04 202 chalcedony -2.80 -2.99 -0.19 -0.062 0.31930E+03 203 dawsonite 1.68 -1.60 -3.29 -0.411 0.56104E+04 204 montmorillonite-Ca -2.29 -7.28 -4.98 -0.308 0.85111E+04 207 montmorillonite-Na -2.04 -6.68 -4.64 -0.284 0.79255E+04 218 gypsum -4.96 -9.84 -4.89 -1.222 0.83450E+04 237 boehmite 4.41 2.32 -2.08 -0.347 0.35567E+04 240 fluorite -9.93 -14.38 -4.45 -1.483 0.75976E+04 245 silica-amorphous -2.09 -2.99 -0.90 -0.299 0.15335E+04 247 an20ab80 2.02 -1.84 -3.86 -0.297 0.65928E+04 248 an25ab75 2.65 -1.57 -4.22 -0.324 0.72024E+04 249 an30ab70 3.28 -1.30 -4.58 -0.352 0.78215E+04 ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ 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 = 6 Loop limit = 400 Temperature = 100.00 C Pressure = 50.00 bar Mixer fraction = 0.7199900 Water: Moles liquid = 0.5050E+02 kg liquid = 0.9098E+00 Moles total = 0.5044E+02 kg total = 0.9086E+00 Activity = 0.9989 Stoichiometric ionic strength = .5759039E-01 Osmotic coef. = 0.8831 True ionic strength = .2589921E-01 Chg. balance for total moles = -.5508E-08 Max. difference allowed = 0.4386E-06 Log Log Log Species(n) Molality Molality Activity Activity Gamma Gamma 1 H+ 0.41921E-05 -5.3776 0.34612E-05 -5.4608 0.82564E+00 -0.0832 2 H2O 0.99886E+00 -0.0005 0.99886E+00 -0.0005 3 Cl- 0.47970E-02 -2.3190 0.39316E-02 -2.4054 0.81959E+00 -0.0864 4 SO4-- 0.37497E-02 -2.4260 0.18140E-02 -2.7414 0.48377E+00 -0.3154 5 HCO3- 0.79702E-02 -2.0985 0.65440E-02 -2.1842 0.82105E+00 -0.0856 6 HS- 0.15627E-02 -2.8061 0.12810E-02 -2.8924 0.81973E+00 -0.0863 7 Al+++ 0.40823E-13 -13.3891 0.80259E-14 -14.0955 0.19660E+00 -0.7064 8 H4SiO4 0.10223E-02 -2.9904 0.10223E-02 -2.9904 0.10000E+01 0.0000 9 Ca++ 0.16567E-06 -6.7808 0.79425E-07 -7.1000 0.47942E+00 -0.3193 10 Mg++ 0.82822E-10 -10.0819 0.39485E-10 -10.4036 0.47674E+00 -0.3217 11 Fe++ 0.15347E-13 -13.8140 0.73264E-14 -14.1351 0.47738E+00 -0.3211 12 K+ 0.15096E-03 -3.8211 0.12398E-03 -3.9066 0.82128E+00 -0.0855 13 Na+ 0.21993E-01 -1.6577 0.18021E-01 -1.7442 0.81940E+00 -0.0865 14 Mn++ 0.19531E-08 -8.7093 0.93331E-09 -9.0300 0.47786E+00 -0.3207 15 F- 0.30446E-03 -3.5165 0.24891E-03 -3.6040 0.81754E+00 -0.0875 16 HPO4-- 0.11843E-08 -8.9266 0.57300E-09 -9.2418 0.48385E+00 -0.3153 18 HSiO3- 0.33688E-06 -6.4725 0.27611E-06 -6.5589 0.81959E+00 -0.0864 19 Ca(HSiO3)+ 0.60794E-12 -12.2161 0.49942E-12 -12.3015 0.82150E+00 -0.0854 20 Mg(HSiO3)+ 0.37612E-15 -15.4247 0.30899E-15 -15.5101 0.82150E+00 -0.0854 21 NaHSiO3,aq 0.80474E-07 -7.0943 0.80474E-07 -7.0943 0.10000E+01 0.0000 22 AlO+ 0.11082E-09 -9.9554 0.91040E-10 -10.0408 0.82150E+00 -0.0854 23 AlOH+2 0.32795E-11 -11.4842 0.15690E-11 -11.8044 0.47843E+00 -0.3202 24 HAlO2,aq 0.52323E-08 -8.2813 0.52323E-08 -8.2813 0.10000E+01 0.0000 25 AlO2- 0.40919E-08 -8.3881 0.33463E-08 -8.4754 0.81779E+00 -0.0874 26 CH4,aq 0.45585E-08 -8.3412 0.44840E-08 -8.3483 0.98364E+00 -0.0072 27 C2H6,aq 0.43197E-18 -18.3645 0.42491E-18 -18.3717 0.98364E+00 -0.0072 31 CO,aq 0.98573E-11 -11.0062 0.98573E-11 -11.0062 0.10000E+01 0.0000 32 CO2,aq 0.49258E-01 -1.3075 0.48452E-01 -1.3147 0.98364E+00 -0.0072 33 CO3-2 0.34226E-06 -6.4656 0.16514E-06 -6.7821 0.48252E+00 -0.3165 34 CaCO3,aq 0.16447E-09 -9.7839 0.16447E-09 -9.7839 0.10000E+01 0.0000 35 Ca(HCO3)+ 0.16150E-07 -7.7918 0.13267E-07 -7.8772 0.82150E+00 -0.0854 36 CaCl+ 0.61515E-09 -9.2110 0.50534E-09 -9.2964 0.82150E+00 -0.0854 37 CaCl2,aq 0.47202E-12 -12.3260 0.47202E-12 -12.3260 0.10000E+01 0.0000 38 CaF+ 0.35135E-09 -9.4543 0.28864E-09 -9.5396 0.82150E+00 -0.0854 39 CaOH+ 0.19886E-11 -11.7015 0.16336E-11 -11.7869 0.82150E+00 -0.0854 40 CaSO4,aq 0.45750E-07 -7.3396 0.45750E-07 -7.3396 0.10000E+01 0.0000 41 HCl,aq 0.24936E-08 -8.6032 0.24936E-08 -8.6032 0.10000E+01 0.0000 45 HF,aq 0.58976E-05 -5.2293 0.58976E-05 -5.2293 0.10000E+01 0.0000 46 HF2- 0.60472E-09 -9.2184 0.49562E-09 -9.3048 0.81959E+00 -0.0864 48 FeCl+ 0.55499E-16 -16.2557 0.45592E-16 -16.3411 0.82150E+00 -0.0854 51 FeF+ 0.11344E-15 -15.9452 0.93189E-16 -16.0306 0.82150E+00 -0.0854 53 FeO,aq 0.23742E-19 -19.6245 0.23742E-19 -19.6245 0.10000E+01 0.0000 54 FeOH+ 0.83778E-16 -16.0769 0.68824E-16 -16.1623 0.82150E+00 -0.0854 59 HFeO2,aq 0.13708E-19 -19.8630 0.13708E-19 -19.8630 0.10000E+01 0.0000 60 H2,aq 0.82239E-08 -8.0849 0.80894E-08 -8.0921 0.98364E+00 -0.0072 61 KCl,aq 0.88344E-08 -8.0538 0.88344E-08 -8.0538 0.10000E+01 0.0000 62 KHSO4,aq 0.22008E-11 -11.6574 0.22008E-11 -11.6574 0.10000E+01 0.0000 63 KOH,aq 0.15280E-10 -10.8159 0.15280E-10 -10.8159 0.10000E+01 0.0000 64 KSO4- 0.42580E-05 -5.3708 0.34898E-05 -5.4572 0.81959E+00 -0.0864 65 MgCO3,aq 0.20494E-13 -13.6884 0.20494E-13 -13.6884 0.10000E+01 0.0000 66 Mg(HCO3)+ 0.82039E-11 -11.0860 0.67395E-11 -11.1714 0.82150E+00 -0.0854 67 MgCl+ 0.27717E-12 -12.5573 0.22769E-12 -12.6427 0.82150E+00 -0.0854 68 MgF+ 0.64703E-12 -12.1891 0.53153E-12 -12.2745 0.82150E+00 -0.0854 69 MgOH+ 0.54703E-14 -14.2620 0.44938E-14 -14.3474 0.82150E+00 -0.0854 71 MnF+ 0.47631E-11 -11.3221 0.39129E-11 -11.4075 0.82150E+00 -0.0854 72 MnO,aq 0.80590E-16 -16.0937 0.80590E-16 -16.0937 0.10000E+01 0.0000 73 MnOH+ 0.99144E-12 -12.0037 0.81447E-12 -12.0891 0.82150E+00 -0.0854 78 MnCl+ 0.27505E-10 -10.5606 0.22596E-10 -10.6460 0.82150E+00 -0.0854 79 MnSO4,aq 0.48875E-09 -9.3109 0.48875E-09 -9.3109 0.10000E+01 0.0000 80 NaCl,aq 0.23480E-04 -4.6293 0.23480E-04 -4.6293 0.10000E+01 0.0000 81 NaF,aq 0.10501E-05 -5.9788 0.10501E-05 -5.9788 0.10000E+01 0.0000 82 NaOH,aq 0.22345E-08 -8.6508 0.22345E-08 -8.6508 0.10000E+01 0.0000 84 OH- 0.20389E-06 -6.6906 0.16674E-06 -6.7780 0.81779E+00 -0.0874 89 HPO3-2 0.29971E-19 -19.5233 0.14461E-19 -19.8398 0.48252E+00 -0.3165 91 H2PO3- 0.12247E-18 -18.9120 0.10037E-18 -18.9984 0.81959E+00 -0.0864 92 H3PO4,aq 0.48009E-10 -10.3187 0.48009E-10 -10.3187 0.10000E+01 0.0000 93 H2PO4- 0.44587E-07 -7.3508 0.36586E-07 -7.4367 0.82054E+00 -0.0859 94 PO4-3 0.64707E-15 -15.1890 0.13507E-15 -15.8694 0.20874E+00 -0.6804 96 H3P2O7- 0.13692E-18 -18.8635 0.11222E-18 -18.9499 0.81959E+00 -0.0864 97 H2P2O7-2 0.21776E-15 -15.6620 0.10507E-15 -15.9785 0.48252E+00 -0.3165 98 HP2O7-3 0.30790E-16 -16.5116 0.60617E-17 -17.2174 0.19687E+00 -0.7058 100 H2S,aq 0.13931E-01 -1.8560 0.13703E-01 -1.8632 0.98364E+00 -0.0072 101 S2-2 0.93157E-08 -8.0308 0.44949E-08 -8.3473 0.48252E+00 -0.3165 102 S3-2 0.21260E-07 -7.6724 0.10258E-07 -7.9889 0.48252E+00 -0.3165 103 S3- 0.32288E-06 -6.4910 0.26462E-06 -6.5774 0.81959E+00 -0.0864 104 S4-2 0.32052E-07 -7.4941 0.15465E-07 -7.8106 0.48252E+00 -0.3165 105 S5-2 0.32220E-07 -7.4919 0.15547E-07 -7.8084 0.48252E+00 -0.3165 106 SO2,aq 0.78685E-12 -12.1041 0.78685E-12 -12.1041 0.10000E+01 0.0000 107 SO3-2 0.38878E-11 -11.4103 0.19090E-11 -11.7192 0.49103E+00 -0.3089 108 HSO3- 0.50478E-09 -9.2969 0.41371E-09 -9.3833 0.81959E+00 -0.0864 109 HSO4- 0.73565E-05 -5.1333 0.60506E-05 -5.2182 0.82248E+00 -0.0849 111 S2O3-2 0.60583E-06 -6.2176 0.29232E-06 -6.5341 0.48252E+00 -0.3165 112 HS2O3- 0.22073E-09 -9.6561 0.18091E-09 -9.7425 0.81959E+00 -0.0864 113 H2S2O3,aq 0.10038E-13 -13.9984 0.10038E-13 -13.9984 0.10000E+01 0.0000 121 S4O6-2 0.55657E-16 -16.2545 0.26856E-16 -16.5710 0.48252E+00 -0.3165 Charge balance for all species = -.6053E-08 Component Molality Aq.molality ppm log[A(N)/A(H+)**Z] (total) 1 H+ 0.4192102E-05 0.6320725E-01 0.6343462E+02 0.0000 2 H2O 0.1000000E+01 0.5545899E+02 0.9948056E+06 0.0000 3 Cl- 0.4796992E-02 0.4820484E-02 0.1701643E+03 3.0553 4 SO4-- 0.3749661E-02 0.3762192E-02 0.3598451E+03 8.1802 5 HCO3- 0.7970232E-02 0.5722860E-01 0.3476883E+04 3.2766 6 HS- 0.1562718E-02 0.1549545E-01 0.5102574E+03 2.5683 7 Al+++ 0.4082251E-13 0.9438278E-08 0.2535617E-03 2.2868 8 H4SiO4 0.1022296E-02 0.1022714E-02 0.9787502E+02 -2.9904 9 Ca++ 0.1656710E-06 0.2287057E-06 0.9126573E-02 3.8215 10 Mg++ 0.8282232E-10 0.9197674E-10 0.2226504E-05 0.5180 11 Fe++ 0.1534720E-13 0.1559996E-13 0.8674571E-09 -3.2136 12 K+ 0.1509591E-03 0.1552260E-03 0.6043495E+01 1.5541 13 Na+ 0.2199283E-01 0.2201744E-01 0.5039957E+03 3.7166 14 Mn++ 0.1953104E-08 0.2475118E-08 0.1353922E-03 1.8916 15 F- 0.3044593E-03 0.3114087E-03 0.5890652E+01 1.8568 16 HPO4-- 0.1184252E-08 0.4581971E-07 0.4378782E-02 1.6797 Component Tot moles Aq. moles Solid moles Gas moles 1 H+ 0.5749838E-01 0.5750791E-01 -.9525381E-05 0.0000000E+00 2 H2O 0.5043586E+02 0.5045830E+02 -.2244031E-01 0.0000000E+00 3 Cl- 0.4385825E-02 0.4385825E-02 0.0000000E+00 0.0000000E+00 4 SO4-- 0.3422967E-02 0.3422959E-02 0.8148064E-08 0.0000000E+00 5 HCO3- 0.5206835E-01 0.5206835E-01 0.0000000E+00 0.0000000E+00 6 HS- 0.1409829E-01 0.1409824E-01 0.5703645E-07 0.0000000E+00 7 Al+++ 0.4775352E-05 0.8587238E-08 0.4766765E-05 0.0000000E+00 8 H4SiO4 0.1215302E-01 0.9304967E-03 0.1122252E-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 0.1419332E-13 0.3259226E-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- 0.2880960E-03 0.2833292E-03 0.4766765E-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: 0.913768E+03 g Temperature = 100.00 C Pressure = 50.00 bar Mixer frac. = 0.7199900 Log Log Vol Gas or mineral Moles Moles Grams Grams Wt.% (cm3) pyrite 0.3259E-07 -7.487 0.3910E-05 -5.408 0.5797E-03 0.7802E-06 quartz 0.1122E-01 -1.950 0.6741 -0.171 99.93 0.2546 topaz 0.2383E-05 -5.623 0.4386E-03 -3.358 0.6503E-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 topaz 0.1000E+01 0.1000E+01 1.0000 0.000 Solid products produced: Mass = 0.674549 g Volume = 0.254695 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: 0.7199900 moles log = -0.1427 Original solution: 1000.0103000 g Original solution / Rock added: 1388.92 (Water/Rock Ratio), log = 3.1427 Gas composition at saturation ( 2 iterations) ------------------------------------------------- Temperature: 100.0000 deg.C Sat. pressure: 6.7173 bar Gas Mole fraction phi Fugacity Partial P(bar) H2O,gas 0.1569E+00 0.9535 0.1005E+01 0.1054E+01 CO2,gas 0.7856E+00 0.9824 0.5184E+01 0.5277E+01 CH4,gas 0.9747E-06 1.0081 0.6600E-05 0.6547E-05 H2,gas 0.1575E-05 1.0036 0.1062E-04 0.1058E-04 H2S,gas 0.5756E-01 0.9743 0.3767E+00 0.3866E+00 S2,gas 0.7030E-11 1.0000 0.4722E-10 0.4722E-10 CO,gas 0.2187E-08 1.0000 0.1469E-07 0.1469E-07 SO3,gas 0.1225E-29 1.0000 0.8226E-29 0.8226E-29 SO2,gas 0.5065E-12 1.0000 0.3403E-11 0.3403E-11 HF,gas 0.2156E-08 1.0000 0.1448E-07 0.1448E-07 HCl,gas 0.6550E-12 1.0000 0.4400E-11 0.4400E-11 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+00 214 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 -1.697 0.28974E+04 0.002 2 CO2,gas -6.66 -7.64 -0.98 -0.328 0.16807E+04 0.715 3 CH4,gas 4.54 -2.34 -6.88 -1.720 0.11746E+05 -5.180 4 H2,gas 8.00 1.33 -6.67 -3.813 0.11394E+05 -4.974 5 H2S,gas -6.23 -8.35 -2.12 -1.061 0.36249E+04 -0.424 6 S2,gas -7.34 -19.36 -12.02 -1.850 0.20532E+05 -10.326 7 CO,gas 3.21 -6.32 -9.53 -2.933 0.16276E+05 -7.833 8 SO3,gas 17.12 -13.66 -30.78 -7.696 0.52562E+05 -29.085 9 SO2,gas 0.83 -12.34 -13.17 -3.511 0.22483E+05 -11.468 10 HF,gas 0.47 -9.06 -9.54 -4.769 0.16286E+05 -7.839 11 HCl,gas 5.19 -7.87 -13.06 -6.528 0.22292E+05 -11.357 16 albite-high 0.69 -2.97 -3.66 -0.281 0.62476E+04 17 albite -0.38 -2.97 -2.58 -0.199 0.44088E+04 21 analcite 3.32 0.02 -3.30 -0.367 0.56327E+04 22 andalusite 5.00 1.58 -3.42 -0.342 0.58375E+04 25 anhydrite -5.32 -9.84 -4.52 -2.262 0.77256E+04 38 aragonite 0.97 -3.82 -4.79 -1.597 0.81787E+04 40 calcite 0.81 -3.82 -4.64 -1.545 0.79145E+04 57 coesite -2.38 -2.99 -0.61 -0.204 0.10473E+04 62 corundum 8.38 4.57 -3.81 -0.346 0.65071E+04 64 cristobalite -2.56 -2.99 -0.43 -0.143 0.73267E+03 68 diaspore 2.87 2.29 -0.59 -0.098 0.10038E+04 69 diamond -3.10 -4.99 -1.89 -0.539 0.32223E+04 86 gibbsite 4.08 2.29 -1.79 -0.256 0.30631E+04 89 graphite -3.55 -4.99 -1.44 -0.412 0.24646E+04 98 jadeite 4.22 0.02 -4.19 -0.419 0.71573E+04 101 kaolinite -1.33 -1.41 -0.07 -0.007 0.12792E+03 102 kyanite 4.88 1.58 -3.29 -0.329 0.56234E+04 119 microcline -2.49 -5.13 -2.64 -0.203 0.45109E+04 123 muscovite 2.58 -0.56 -3.14 -0.185 0.53599E+04 124 paragonite 4.24 1.61 -2.63 -0.155 0.44969E+04 149 pyrophyllite -6.18 -7.39 -1.21 -0.076 0.20665E+04 154 rhodochrosite -0.98 -5.75 -4.78 -1.592 0.81567E+04 156 sanidine -1.28 -5.13 -3.85 -0.296 0.65786E+04 159 sillimanite 5.26 1.58 -3.68 -0.368 0.62814E+04 172 sulfur -9.15 -9.68 -0.53 -0.162 0.90123E+03 180 topaz-H 4.62 1.58 -3.04 -0.276 0.51843E+04 181 tridymite -2.63 -2.99 -0.36 -0.121 0.61998E+03 196 beidellite-Ca -1.65 -5.01 -3.37 -0.208 0.57526E+04 197 beidellite-H -2.33 -5.65 -3.32 -0.212 0.56671E+04 198 beidellite-K -1.52 -5.13 -3.61 -0.221 0.61676E+04 199 beidellite-Mg -1.79 -5.56 -3.77 -0.233 0.64371E+04 200 beidellite-Na -1.34 -4.42 -3.08 -0.188 0.52531E+04 202 chalcedony -2.80 -2.99 -0.19 -0.062 0.31930E+03 203 dawsonite 1.68 -1.64 -3.32 -0.416 0.56762E+04 207 montmorillonite-Na -2.04 -6.74 -4.71 -0.288 0.80345E+04 218 gypsum -4.96 -9.84 -4.89 -1.222 0.83449E+04 237 boehmite 4.41 2.29 -2.12 -0.353 0.36207E+04 240 fluorite -9.93 -14.31 -4.38 -1.459 0.74740E+04 245 silica-amorphous -2.09 -2.99 -0.90 -0.299 0.15335E+04 247 an20ab80 2.02 -1.89 -3.91 -0.301 0.66722E+04 248 an25ab75 2.65 -1.62 -4.27 -0.328 0.72850E+04 249 an30ab70 3.28 -1.35 -4.63 -0.356 0.79075E+04 Calculations done for 100.0000 Deg. C; 50.0000 bar Next reactant titration increment of: 0.0200000 MOLES Current total amount of reactant added: 0.7199900 MOLES New total amount of reactant added: 0.7399900 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 = 7 Loop limit = 400 Temperature = 100.00 C Pressure = 50.00 bar Mixer fraction = 0.7399900 Water: Moles liquid = 0.5052E+02 kg liquid = 0.9102E+00 Moles total = 0.5045E+02 kg total = 0.9089E+00 Activity = 0.9988 Stoichiometric ionic strength = .5886086E-01 Osmotic coef. = 0.8824 True ionic strength = .2599350E-01 Chg. balance for total moles = -.5508E-08 Max. difference allowed = 0.4504E-06 Log Log Log Species(n) Molality Molality Activity Activity Gamma Gamma 1 H+ 0.45147E-05 -5.3454 0.37265E-05 -5.4287 0.82541E+00 -0.0833 2 H2O 0.99882E+00 -0.0005 0.99882E+00 -0.0005 3 Cl- 0.49243E-02 -2.3077 0.40347E-02 -2.3942 0.81934E+00 -0.0865 4 SO4-- 0.38523E-02 -2.4143 0.18616E-02 -2.7301 0.48325E+00 -0.3158 5 HCO3- 0.76812E-02 -2.1146 0.63048E-02 -2.2003 0.82081E+00 -0.0858 6 HS- 0.15018E-02 -2.8234 0.12307E-02 -2.9098 0.81949E+00 -0.0865 7 Al+++ 0.46231E-13 -13.3351 0.90676E-14 -14.0425 0.19613E+00 -0.7074 8 H4SiO4 0.10222E-02 -2.9905 0.10222E-02 -2.9905 0.10000E+01 0.0000 9 Ca++ 0.16521E-06 -6.7820 0.79118E-07 -7.1017 0.47889E+00 -0.3198 10 Mg++ 0.83050E-10 -10.0807 0.39550E-10 -10.4029 0.47621E+00 -0.3222 11 Fe++ 0.16072E-13 -13.7939 0.76641E-14 -14.1155 0.47685E+00 -0.3216 12 K+ 0.15080E-03 -3.8216 0.12381E-03 -3.9072 0.82104E+00 -0.0856 13 Na+ 0.21984E-01 -1.6579 0.18008E-01 -1.7445 0.81915E+00 -0.0866 14 Mn++ 0.19422E-08 -8.7117 0.92707E-09 -9.0329 0.47734E+00 -0.3212 15 F- 0.31249E-03 -3.5052 0.25540E-03 -3.5928 0.81729E+00 -0.0876 16 HPO4-- 0.11023E-08 -8.9577 0.53278E-09 -9.2734 0.48334E+00 -0.3158 18 HSiO3- 0.31298E-06 -6.5045 0.25644E-06 -6.5910 0.81934E+00 -0.0865 19 Ca(HSiO3)+ 0.56262E-12 -12.2498 0.46205E-12 -12.3353 0.82126E+00 -0.0855 20 Mg(HSiO3)+ 0.35001E-15 -15.4559 0.28745E-15 -15.5414 0.82126E+00 -0.0855 21 NaHSiO3,aq 0.74690E-07 -7.1267 0.74690E-07 -7.1267 0.10000E+01 0.0000 22 AlO+ 0.10804E-09 -9.9664 0.88727E-10 -10.0519 0.82126E+00 -0.0855 23 AlOH+2 0.34450E-11 -11.4628 0.16464E-11 -11.7835 0.47791E+00 -0.3207 24 HAlO2,aq 0.47361E-08 -8.3246 0.47361E-08 -8.3246 0.10000E+01 0.0000 25 AlO2- 0.34412E-08 -8.4633 0.28133E-08 -8.5508 0.81754E+00 -0.0875 26 CH4,aq 0.41128E-08 -8.3859 0.40442E-08 -8.3932 0.98332E+00 -0.0073 27 C2H6,aq 0.36402E-18 -18.4389 0.35795E-18 -18.4462 0.98332E+00 -0.0073 31 CO,aq 0.98743E-11 -11.0055 0.98743E-11 -11.0055 0.10000E+01 0.0000 32 CO2,aq 0.51115E-01 -1.2914 0.50262E-01 -1.2988 0.98332E+00 -0.0073 33 CO3-2 0.30660E-06 -6.5134 0.14778E-06 -6.8304 0.48200E+00 -0.3170 34 CaCO3,aq 0.14661E-09 -9.8338 0.14661E-09 -9.8338 0.10000E+01 0.0000 35 Ca(HCO3)+ 0.15504E-07 -7.8095 0.12733E-07 -7.8951 0.82126E+00 -0.0855 36 CaCl+ 0.62903E-09 -9.2013 0.51660E-09 -9.2868 0.82126E+00 -0.0855 37 CaCl2,aq 0.49519E-12 -12.3052 0.49519E-12 -12.3052 0.10000E+01 0.0000 38 CaF+ 0.35923E-09 -9.4446 0.29502E-09 -9.5302 0.82126E+00 -0.0855 39 CaOH+ 0.18403E-11 -11.7351 0.15114E-11 -11.8206 0.82126E+00 -0.0855 40 CaSO4,aq 0.46771E-07 -7.3300 0.46771E-07 -7.3300 0.10000E+01 0.0000 41 HCl,aq 0.27552E-08 -8.5599 0.27552E-08 -8.5599 0.10000E+01 0.0000 45 HF,aq 0.65153E-05 -5.1861 0.65153E-05 -5.1861 0.10000E+01 0.0000 46 HF2- 0.68567E-09 -9.1639 0.56180E-09 -9.2504 0.81934E+00 -0.0865 48 FeCl+ 0.59597E-16 -16.2248 0.48945E-16 -16.3103 0.82126E+00 -0.0855 51 FeF+ 0.12180E-15 -15.9144 0.10003E-15 -15.9999 0.82126E+00 -0.0855 53 FeO,aq 0.21425E-19 -19.6691 0.21425E-19 -19.6691 0.10000E+01 0.0000 54 FeOH+ 0.81420E-16 -16.0893 0.66867E-16 -16.1748 0.82126E+00 -0.0855 59 HFeO2,aq 0.12588E-19 -19.9000 0.12588E-19 -19.9000 0.10000E+01 0.0000 60 H2,aq 0.79437E-08 -8.1000 0.78111E-08 -8.1073 0.98332E+00 -0.0073 61 KCl,aq 0.90537E-08 -8.0432 0.90537E-08 -8.0432 0.10000E+01 0.0000 62 KHSO4,aq 0.24285E-11 -11.6147 0.24285E-11 -11.6147 0.10000E+01 0.0000 63 KOH,aq 0.14172E-10 -10.8486 0.14172E-10 -10.8486 0.10000E+01 0.0000 64 KSO4- 0.43652E-05 -5.3600 0.35766E-05 -5.4465 0.81934E+00 -0.0865 65 MgCO3,aq 0.18370E-13 -13.7359 0.18370E-13 -13.7359 0.10000E+01 0.0000 66 Mg(HCO3)+ 0.79194E-11 -11.1013 0.65039E-11 -11.1868 0.82126E+00 -0.0855 67 MgCl+ 0.28499E-12 -12.5452 0.23405E-12 -12.6307 0.82126E+00 -0.0855 68 MgF+ 0.66518E-12 -12.1771 0.54629E-12 -12.2626 0.82126E+00 -0.0855 69 MgOH+ 0.50904E-14 -14.2932 0.41806E-14 -14.3788 0.82126E+00 -0.0855 71 MnF+ 0.48560E-11 -11.3137 0.39881E-11 -11.3992 0.82126E+00 -0.0855 72 MnO,aq 0.69055E-16 -16.1608 0.69055E-16 -16.1608 0.10000E+01 0.0000 73 MnOH+ 0.91492E-12 -12.0386 0.75139E-12 -12.1241 0.82126E+00 -0.0855 78 MnCl+ 0.28047E-10 -10.5521 0.23033E-10 -10.6376 0.82126E+00 -0.0855 79 MnSO4,aq 0.49824E-09 -9.3026 0.49824E-09 -9.3026 0.10000E+01 0.0000 80 NaCl,aq 0.24079E-04 -4.6184 0.24079E-04 -4.6184 0.10000E+01 0.0000 81 NaF,aq 0.10768E-05 -5.9679 0.10768E-05 -5.9679 0.10000E+01 0.0000 82 NaOH,aq 0.20738E-08 -8.6832 0.20738E-08 -8.6832 0.10000E+01 0.0000 84 OH- 0.18942E-06 -6.7226 0.15486E-06 -6.8101 0.81754E+00 -0.0875 89 HPO3-2 0.26939E-19 -19.5696 0.12984E-19 -19.8866 0.48200E+00 -0.3170 91 H2PO3- 0.11842E-18 -18.9266 0.97029E-19 -19.0131 0.81934E+00 -0.0865 92 H3PO4,aq 0.51746E-10 -10.2861 0.51746E-10 -10.2861 0.10000E+01 0.0000 93 H2PO4- 0.44649E-07 -7.3502 0.36625E-07 -7.4362 0.82029E+00 -0.0860 94 PO4-3 0.56006E-15 -15.2518 0.11665E-15 -15.9331 0.20828E+00 -0.6814 96 H3P2O7- 0.14779E-18 -18.8304 0.12109E-18 -18.9169 0.81934E+00 -0.0865 97 H2P2O7-2 0.21848E-15 -15.6606 0.10531E-15 -15.9775 0.48200E+00 -0.3170 98 HP2O7-3 0.28730E-16 -16.5417 0.56426E-17 -17.2485 0.19640E+00 -0.7069 100 H2S,aq 0.14415E-01 -1.8412 0.14175E-01 -1.8485 0.98332E+00 -0.0073 101 S2-2 0.89148E-08 -8.0499 0.42969E-08 -8.3668 0.48200E+00 -0.3170 102 S3-2 0.21795E-07 -7.6616 0.10505E-07 -7.9786 0.48200E+00 -0.3170 103 S3- 0.36238E-06 -6.4408 0.29692E-06 -6.5274 0.81934E+00 -0.0865 104 S4-2 0.35199E-07 -7.4535 0.16966E-07 -7.7704 0.48200E+00 -0.3170 105 S5-2 0.37906E-07 -7.4213 0.18271E-07 -7.7382 0.48200E+00 -0.3170 106 SO2,aq 0.90396E-12 -12.0439 0.90396E-12 -12.0439 0.10000E+01 0.0000 107 SO3-2 0.38568E-11 -11.4138 0.18919E-11 -11.7231 0.49053E+00 -0.3093 108 HSO3- 0.53875E-09 -9.2686 0.44142E-09 -9.3551 0.81934E+00 -0.0865 109 HSO4- 0.81309E-05 -5.0899 0.66856E-05 -5.1749 0.82225E+00 -0.0850 111 S2O3-2 0.64387E-06 -6.1912 0.31034E-06 -6.5082 0.48200E+00 -0.3170 112 HS2O3- 0.25238E-09 -9.5980 0.20678E-09 -9.6845 0.81934E+00 -0.0865 113 H2S2O3,aq 0.12353E-13 -13.9082 0.12353E-13 -13.9082 0.10000E+01 0.0000 121 S4O6-2 0.75387E-16 -16.1227 0.36336E-16 -16.4397 0.48200E+00 -0.3170 Charge balance for all species = -.6051E-08 Component Molality Aq.molality ppm log[A(N)/A(H+)**Z] (total) 1 H+ 0.4514724E-05 0.6555071E-01 0.6578041E+02 0.0000 2 H2O 0.1000000E+01 0.5545713E+02 0.9946801E+06 0.0000 3 Cl- 0.4924315E-02 0.4948407E-02 0.1746638E+03 3.0345 4 SO4-- 0.3852287E-02 0.3865773E-02 0.3697181E+03 8.1273 5 HCO3- 0.7681247E-02 0.5879685E-01 0.3571831E+04 3.2284 6 HS- 0.1501848E-02 0.1591895E-01 0.5241546E+03 2.5189 7 Al+++ 0.4623141E-13 0.8288744E-08 0.2226585E-03 2.2436 8 H4SiO4 0.1022210E-02 0.1022598E-02 0.9785487E+02 -2.9905 9 Ca++ 0.1652105E-06 0.2286238E-06 0.9122462E-02 3.7557 10 Mg++ 0.8305041E-10 0.9194382E-10 0.2225501E-05 0.4545 11 Fe++ 0.1607224E-13 0.1633509E-13 0.9082512E-09 -3.2581 12 K+ 0.1507961E-03 0.1551704E-03 0.6040772E+01 1.5215 13 Na+ 0.2198433E-01 0.2200956E-01 0.5037686E+03 3.6842 14 Mn++ 0.1942173E-08 0.2474232E-08 0.1353312E-03 1.8245 15 F- 0.3124920E-03 0.3200858E-03 0.6054228E+01 1.8359 16 HPO4-- 0.1102302E-08 0.4580331E-07 0.4376809E-02 1.5839 Component Tot moles Aq. moles Solid moles Gas moles 1 H+ 0.5965188E-01 0.5966141E-01 -.9527468E-05 0.0000000E+00 2 H2O 0.5045224E+02 0.5047468E+02 -.2243986E-01 0.0000000E+00 3 Cl- 0.4503825E-02 0.4503825E-02 0.0000000E+00 0.0000000E+00 4 SO4-- 0.3518467E-02 0.3518459E-02 0.8148064E-08 0.0000000E+00 5 HCO3- 0.5351435E-01 0.5351435E-01 0.0000000E+00 0.0000000E+00 6 HS- 0.1448879E-01 0.1448874E-01 0.5703645E-07 0.0000000E+00 7 Al+++ 0.4775352E-05 0.7544055E-08 0.4767808E-05 0.0000000E+00 8 H4SiO4 0.1215302E-01 0.9307244E-03 0.1122230E-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 0.1486749E-13 0.3259226E-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- 0.2960960E-03 0.2913282E-03 0.4767808E-05 0.0000000E+00 16 HPO4-- 0.4168819E-07 0.4168819E-07 0.0000000E+00 0.0000000E+00 Chg. balance for solid moles: -.8470E-21 Mass of aqueous solution: 0.914180E+03 g Temperature = 100.00 C Pressure = 50.00 bar Mixer frac. = 0.7399900 Log Log Vol Gas or mineral Moles Moles Grams Grams Wt.% (cm3) pyrite 0.3259E-07 -7.487 0.3910E-05 -5.408 0.5797E-03 0.7802E-06 quartz 0.1122E-01 -1.950 0.6741 -0.171 99.93 0.2546 topaz 0.2384E-05 -5.623 0.4387E-03 -3.358 0.6504E-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 topaz 0.1000E+01 0.1000E+01 1.0000 0.000 Solid products produced: Mass = 0.674535 g Volume = 0.254690 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: 0.7399900 moles log = -0.1308 Original solution: 1000.0103000 g Original solution / Rock added: 1351.38 (Water/Rock Ratio), log = 3.1308 Gas composition at saturation ( 2 iterations) ------------------------------------------------- Temperature: 100.0000 deg.C Sat. pressure: 6.9328 bar Gas Mole fraction phi Fugacity Partial P(bar) H2O,gas 0.1521E+00 0.9526 0.1005E+01 0.1055E+01 CO2,gas 0.7901E+00 0.9817 0.5378E+01 0.5478E+01 CH4,gas 0.8517E-06 1.0082 0.5953E-05 0.5905E-05 H2,gas 0.1474E-05 1.0037 0.1026E-04 0.1022E-04 H2S,gas 0.5773E-01 0.9735 0.3897E+00 0.4003E+00 S2,gas 0.7817E-11 1.0000 0.5419E-10 0.5419E-10 CO,gas 0.2122E-08 1.0000 0.1471E-07 0.1471E-07 SO3,gas 0.1412E-29 1.0000 0.9786E-29 0.9786E-29 SO2,gas 0.5639E-12 1.0000 0.3909E-11 0.3909E-11 HF,gas 0.2307E-08 1.0000 0.1600E-07 0.1600E-07 HCl,gas 0.7012E-12 1.0000 0.4862E-11 0.4862E-11 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+00 214 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 -1.697 0.28974E+04 0.002 2 CO2,gas -6.66 -7.63 -0.97 -0.323 0.16535E+04 0.731 3 CH4,gas 4.54 -2.38 -6.92 -1.731 0.11823E+05 -5.225 4 H2,gas 8.00 1.31 -6.69 -3.822 0.11420E+05 -4.989 5 H2S,gas -6.23 -8.34 -2.11 -1.054 0.35998E+04 -0.409 6 S2,gas -7.34 -19.30 -11.97 -1.841 0.20430E+05 -10.266 7 CO,gas 3.21 -6.32 -9.53 -2.933 0.16274E+05 -7.832 8 SO3,gas 17.12 -13.59 -30.71 -7.677 0.52434E+05 -29.009 9 SO2,gas 0.83 -12.27 -13.11 -3.495 0.22380E+05 -11.408 10 HF,gas 0.47 -9.02 -9.49 -4.747 0.16212E+05 -7.796 11 HCl,gas 5.19 -7.82 -13.01 -6.506 0.22218E+05 -11.313 16 albite-high 0.69 -3.04 -3.73 -0.287 0.63768E+04 17 albite -0.38 -3.04 -2.66 -0.204 0.45379E+04 21 analcite 3.32 -0.05 -3.37 -0.375 0.57619E+04 22 andalusite 5.00 1.50 -3.51 -0.351 0.59852E+04 25 anhydrite -5.32 -9.83 -4.52 -2.258 0.77093E+04 38 aragonite 0.97 -3.87 -4.84 -1.613 0.82639E+04 40 calcite 0.81 -3.87 -4.69 -1.562 0.79997E+04 57 coesite -2.38 -2.99 -0.61 -0.204 0.10473E+04 62 corundum 8.38 4.49 -3.90 -0.354 0.66548E+04 64 cristobalite -2.56 -2.99 -0.43 -0.143 0.73267E+03 68 diaspore 2.87 2.24 -0.63 -0.105 0.10776E+04 69 diamond -3.10 -5.00 -1.90 -0.543 0.32470E+04 86 gibbsite 4.08 2.24 -1.84 -0.262 0.31371E+04 89 graphite -3.55 -5.00 -1.46 -0.417 0.24892E+04 98 jadeite 4.22 -0.05 -4.27 -0.427 0.72865E+04 101 kaolinite -1.33 -1.49 -0.16 -0.015 0.27573E+03 102 kyanite 4.88 1.50 -3.38 -0.338 0.57711E+04 119 microcline -2.49 -5.20 -2.72 -0.209 0.46406E+04 123 muscovite 2.58 -0.72 -3.30 -0.194 0.56374E+04 124 paragonite 4.24 1.44 -2.80 -0.164 0.47739E+04 149 pyrophyllite -6.18 -7.47 -1.30 -0.081 0.22143E+04 154 rhodochrosite -0.98 -5.80 -4.83 -1.609 0.82440E+04 156 sanidine -1.28 -5.20 -3.93 -0.302 0.67083E+04 159 sillimanite 5.26 1.50 -3.77 -0.377 0.64292E+04 172 sulfur -9.15 -9.65 -0.50 -0.153 0.85019E+03 180 topaz-H 4.62 1.50 -3.12 -0.284 0.53321E+04 181 tridymite -2.63 -2.99 -0.36 -0.121 0.61998E+03 196 beidellite-Ca -1.65 -5.13 -3.48 -0.215 0.59433E+04 197 beidellite-H -2.33 -5.75 -3.42 -0.218 0.58392E+04 198 beidellite-K -1.52 -5.24 -3.72 -0.228 0.63582E+04 199 beidellite-Mg -1.79 -5.67 -3.88 -0.240 0.66272E+04 200 beidellite-Na -1.34 -4.53 -3.19 -0.195 0.54435E+04 202 chalcedony -2.80 -2.99 -0.19 -0.062 0.31930E+03 203 dawsonite 1.68 -1.70 -3.38 -0.423 0.57782E+04 207 montmorillonite-Na -2.04 -6.85 -4.81 -0.295 0.82119E+04 218 gypsum -4.96 -9.83 -4.88 -1.219 0.83286E+04 237 boehmite 4.41 2.24 -2.16 -0.361 0.36946E+04 240 fluorite -9.93 -14.29 -4.36 -1.452 0.74387E+04 245 silica-amorphous -2.09 -2.99 -0.90 -0.299 0.15335E+04 247 an20ab80 2.02 -1.98 -4.00 -0.308 0.68276E+04 248 an25ab75 2.65 -1.72 -4.36 -0.335 0.74469E+04 249 an30ab70 3.28 -1.45 -4.73 -0.364 0.80759E+04 Calculations done for 100.0000 Deg. C; 50.0000 bar Next reactant titration increment of: 0.0200000 MOLES Current total amount of reactant added: 0.7399900 MOLES New total amount of reactant added: 0.7599900 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 = 6 Loop limit = 400 Temperature = 100.00 C Pressure = 50.00 bar Mixer fraction = 0.7599900 Water: Moles liquid = 0.5054E+02 kg liquid = 0.9105E+00 Moles total = 0.5047E+02 kg total = 0.9092E+00 Activity = 0.9988 Stoichiometric ionic strength = .6013050E-01 Osmotic coef. = 0.8816 True ionic strength = .2608769E-01 Chg. balance for total moles = -.5508E-08 Max. difference allowed = 0.4622E-06 Log Log Log Species(n) Molality Molality Activity Activity Gamma Gamma 1 H+ 0.48626E-05 -5.3131 0.40125E-05 -5.3966 0.82518E+00 -0.0835 2 H2O 0.99878E+00 -0.0005 0.99878E+00 -0.0005 3 Cl- 0.50515E-02 -2.2966 0.41377E-02 -2.3832 0.81910E+00 -0.0867 4 SO4-- 0.39548E-02 -2.4029 0.19091E-02 -2.7192 0.48274E+00 -0.3163 5 HCO3- 0.73921E-02 -2.1312 0.60658E-02 -2.2171 0.82057E+00 -0.0859 6 HS- 0.14415E-02 -2.8412 0.11809E-02 -2.9278 0.81924E+00 -0.0866 7 Al+++ 0.52412E-13 -13.2806 0.10255E-13 -13.9891 0.19567E+00 -0.7085 8 H4SiO4 0.10221E-02 -2.9905 0.10221E-02 -2.9905 0.10000E+01 0.0000 9 Ca++ 0.16476E-06 -6.7832 0.78815E-07 -7.1034 0.47838E+00 -0.3202 10 Mg++ 0.83279E-10 -10.0795 0.39615E-10 -10.4021 0.47569E+00 -0.3227 11 Fe++ 0.16872E-13 -13.7728 0.80366E-14 -14.0949 0.47633E+00 -0.3221 12 K+ 0.15063E-03 -3.8221 0.12364E-03 -3.9078 0.82080E+00 -0.0858 13 Na+ 0.21976E-01 -1.6581 0.17996E-01 -1.7448 0.81890E+00 -0.0868 14 Mn++ 0.19314E-08 -8.7141 0.92092E-09 -9.0358 0.47681E+00 -0.3217 15 F- 0.32046E-03 -3.4942 0.26183E-03 -3.5820 0.81704E+00 -0.0878 16 HPO4-- 0.10258E-08 -8.9889 0.49528E-09 -9.3052 0.48282E+00 -0.3162 18 HSiO3- 0.29074E-06 -6.5365 0.23815E-06 -6.6232 0.81910E+00 -0.0867 19 Ca(HSiO3)+ 0.52063E-12 -12.2835 0.42745E-12 -12.3691 0.82102E+00 -0.0856 20 Mg(HSiO3)+ 0.32568E-15 -15.4872 0.26739E-15 -15.5729 0.82102E+00 -0.0856 21 NaHSiO3,aq 0.69315E-07 -7.1592 0.69315E-07 -7.1592 0.10000E+01 0.0000 22 AlO+ 0.10541E-09 -9.9771 0.86547E-10 -10.0627 0.82102E+00 -0.0856 23 AlOH+2 0.36222E-11 -11.4410 0.17292E-11 -11.7622 0.47739E+00 -0.3211 24 HAlO2,aq 0.42902E-08 -8.3675 0.42902E-08 -8.3675 0.10000E+01 0.0000 25 AlO2- 0.28959E-08 -8.5382 0.23668E-08 -8.6258 0.81729E+00 -0.0876 26 CH4,aq 0.37033E-08 -8.4314 0.36403E-08 -8.4389 0.98299E+00 -0.0075 27 C2H6,aq 0.30561E-18 -18.5148 0.30041E-18 -18.5223 0.98299E+00 -0.0075 31 CO,aq 0.98765E-11 -11.0054 0.98765E-11 -11.0054 0.10000E+01 0.0000 32 CO2,aq 0.52972E-01 -1.2760 0.52070E-01 -1.2834 0.98299E+00 -0.0075 33 CO3-2 0.27424E-06 -6.5619 0.13204E-06 -6.8793 0.48148E+00 -0.3174 34 CaCO3,aq 0.13049E-09 -9.8844 0.13049E-09 -9.8844 0.10000E+01 0.0000 35 Ca(HCO3)+ 0.14864E-07 -7.8279 0.12203E-07 -7.9135 0.82102E+00 -0.0856 36 CaCl+ 0.64280E-09 -9.1919 0.52775E-09 -9.2776 0.82102E+00 -0.0856 37 CaCl2,aq 0.51880E-12 -12.2850 0.51880E-12 -12.2850 0.10000E+01 0.0000 38 CaF+ 0.36697E-09 -9.4354 0.30129E-09 -9.5210 0.82102E+00 -0.0856 39 CaOH+ 0.17030E-11 -11.7688 0.13982E-11 -11.8544 0.82102E+00 -0.0856 40 CaSO4,aq 0.47780E-07 -7.3208 0.47780E-07 -7.3208 0.10000E+01 0.0000 41 HCl,aq 0.30424E-08 -8.5168 0.30424E-08 -8.5168 0.10000E+01 0.0000 45 HF,aq 0.71921E-05 -5.1431 0.71921E-05 -5.1431 0.10000E+01 0.0000 46 HF2- 0.77619E-09 -9.1100 0.63578E-09 -9.1967 0.81910E+00 -0.0867 48 FeCl+ 0.64108E-16 -16.1931 0.52634E-16 -16.2787 0.82102E+00 -0.0856 51 FeF+ 0.13097E-15 -15.8828 0.10753E-15 -15.9685 0.82102E+00 -0.0856 53 FeO,aq 0.19376E-19 -19.7127 0.19376E-19 -19.7127 0.10000E+01 0.0000 54 FeOH+ 0.79311E-16 -16.1007 0.65116E-16 -16.1863 0.82102E+00 -0.0856 59 HFeO2,aq 0.11586E-19 -19.9361 0.11586E-19 -19.9361 0.10000E+01 0.0000 60 H2,aq 0.76718E-08 -8.1151 0.75413E-08 -8.1226 0.98299E+00 -0.0075 61 KCl,aq 0.92721E-08 -8.0328 0.92721E-08 -8.0328 0.10000E+01 0.0000 62 KHSO4,aq 0.26779E-11 -11.5722 0.26779E-11 -11.5722 0.10000E+01 0.0000 63 KOH,aq 0.13143E-10 -10.8813 0.13143E-10 -10.8813 0.10000E+01 0.0000 64 KSO4- 0.44718E-05 -5.3495 0.36628E-05 -5.4362 0.81910E+00 -0.0867 65 MgCO3,aq 0.16440E-13 -13.7841 0.16440E-13 -13.7841 0.10000E+01 0.0000 66 Mg(HCO3)+ 0.76339E-11 -11.1173 0.62676E-11 -11.2029 0.82102E+00 -0.0856 67 MgCl+ 0.29284E-12 -12.5334 0.24042E-12 -12.6190 0.82102E+00 -0.0856 68 MgF+ 0.68326E-12 -12.1654 0.56097E-12 -12.2511 0.82102E+00 -0.0856 69 MgOH+ 0.47366E-14 -14.3245 0.38888E-14 -14.4102 0.82102E+00 -0.0856 71 MnF+ 0.49468E-11 -11.3057 0.40614E-11 -11.3913 0.82102E+00 -0.0856 72 MnO,aq 0.59163E-16 -16.2280 0.59163E-16 -16.2280 0.10000E+01 0.0000 73 MnOH+ 0.84428E-12 -12.0735 0.69317E-12 -12.1592 0.82102E+00 -0.0856 78 MnCl+ 0.28580E-10 -10.5439 0.23465E-10 -10.6296 0.82102E+00 -0.0856 79 MnSO4,aq 0.50757E-09 -9.2945 0.50757E-09 -9.2945 0.10000E+01 0.0000 80 NaCl,aq 0.24677E-04 -4.6077 0.24677E-04 -4.6077 0.10000E+01 0.0000 81 NaF,aq 0.11031E-05 -5.9574 0.11031E-05 -5.9574 0.10000E+01 0.0000 82 NaOH,aq 0.19246E-08 -8.7157 0.19246E-08 -8.7157 0.10000E+01 0.0000 84 OH- 0.17597E-06 -6.7546 0.14382E-06 -6.8422 0.81729E+00 -0.0876 89 HPO3-2 0.24204E-19 -19.6161 0.11654E-19 -19.9335 0.48148E+00 -0.3174 91 H2PO3- 0.11448E-18 -18.9413 0.93771E-19 -19.0279 0.81910E+00 -0.0867 92 H3PO4,aq 0.55771E-10 -10.2536 0.55771E-10 -10.2536 0.10000E+01 0.0000 93 H2PO4- 0.44705E-07 -7.3496 0.36661E-07 -7.4358 0.82005E+00 -0.0862 94 PO4-3 0.48460E-15 -15.3146 0.10071E-15 -15.9969 0.20782E+00 -0.6823 96 H3P2O7- 0.15949E-18 -18.7973 0.13064E-18 -18.8839 0.81910E+00 -0.0867 97 H2P2O7-2 0.21914E-15 -15.6593 0.10551E-15 -15.9767 0.48148E+00 -0.3174 98 HP2O7-3 0.26798E-16 -16.5719 0.52506E-17 -17.2798 0.19593E+00 -0.7079 100 H2S,aq 0.14899E-01 -1.8269 0.14645E-01 -1.8343 0.98299E+00 -0.0075 101 S2-2 0.85106E-08 -8.0700 0.40977E-08 -8.3875 0.48148E+00 -0.3174 102 S3-2 0.22267E-07 -7.6523 0.10721E-07 -7.9698 0.48148E+00 -0.3174 103 S3- 0.40540E-06 -6.3921 0.33206E-06 -6.4788 0.81910E+00 -0.0867 104 S4-2 0.38484E-07 -7.4147 0.18530E-07 -7.7321 0.48148E+00 -0.3174 105 S5-2 0.44351E-07 -7.3531 0.21354E-07 -7.6705 0.48148E+00 -0.3174 106 SO2,aq 0.10378E-11 -11.9839 0.10378E-11 -11.9839 0.10000E+01 0.0000 107 SO3-2 0.38226E-11 -11.4176 0.18732E-11 -11.7274 0.49003E+00 -0.3098 108 HSO3- 0.57455E-09 -9.2407 0.47061E-09 -9.3273 0.81910E+00 -0.0867 109 HSO4- 0.89810E-05 -5.0467 0.73825E-05 -5.1318 0.82201E+00 -0.0851 111 S2O3-2 0.68296E-06 -6.1656 0.32884E-06 -6.4830 0.48148E+00 -0.3174 112 HS2O3- 0.28803E-09 -9.5406 0.23592E-09 -9.6272 0.81910E+00 -0.0867 113 H2S2O3,aq 0.15176E-13 -13.8188 0.15176E-13 -13.8188 0.10000E+01 0.0000 121 S4O6-2 0.10175E-15 -15.9925 0.48992E-16 -16.3099 0.48148E+00 -0.3174 Charge balance for all species = -.6049E-08 Component Molality Aq.molality ppm log[A(N)/A(H+)**Z] (total) 1 H+ 0.4862625E-05 0.6789249E-01 0.6812409E+02 0.0000 2 H2O 0.1000000E+01 0.5545528E+02 0.9945548E+06 0.0000 3 Cl- 0.5051548E-02 0.5076238E-02 0.1791593E+03 3.0133 4 SO4-- 0.3954760E-02 0.3969280E-02 0.3795822E+03 8.0740 5 HCO3- 0.7392138E-02 0.6036399E-01 0.3666693E+04 3.1795 6 HS- 0.1441506E-02 0.1634215E-01 0.5380392E+03 2.4688 7 Al+++ 0.5241152E-13 0.7295171E-08 0.1959503E-03 2.2007 8 H4SiO4 0.1022124E-02 0.1022484E-02 0.9783493E+02 -2.9905 9 Ca++ 0.1647552E-06 0.2285420E-06 0.9118354E-02 3.6898 10 Mg++ 0.8327938E-10 0.9191093E-10 0.2224499E-05 0.3910 11 Fe++ 0.1687190E-13 0.1714632E-13 0.9532681E-09 -3.3018 12 K+ 0.1506338E-03 0.1551149E-03 0.6038052E+01 1.4887 13 Na+ 0.2197584E-01 0.2200169E-01 0.5035418E+03 3.6518 14 Mn++ 0.1931410E-08 0.2473347E-08 0.1352702E-03 1.7574 15 F- 0.3204597E-03 0.3287568E-03 0.6217660E+01 1.8146 16 HPO4-- 0.1025792E-08 0.4578693E-07 0.4374839E-02 1.4880 Component Tot moles Aq. moles Solid moles Gas moles 1 H+ 0.6180538E-01 0.6181491E-01 -.9529272E-05 0.0000000E+00 2 H2O 0.5046861E+02 0.5049105E+02 -.2243940E-01 0.0000000E+00 3 Cl- 0.4621825E-02 0.4621825E-02 0.0000000E+00 0.0000000E+00 4 SO4-- 0.3613967E-02 0.3613959E-02 0.8148064E-08 0.0000000E+00 5 HCO3- 0.5496035E-01 0.5496035E-01 0.0000000E+00 0.0000000E+00 6 HS- 0.1487929E-01 0.1487924E-01 0.5703645E-07 0.0000000E+00 7 Al+++ 0.4775352E-05 0.6642125E-08 0.4768710E-05 0.0000000E+00 8 H4SiO4 0.1215302E-01 0.9309539E-03 0.1122207E-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 0.1561142E-13 0.3259225E-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- 0.3040960E-03 0.2993273E-03 0.4768710E-05 0.0000000E+00 16 HPO4-- 0.4168819E-07 0.4168819E-07 0.0000000E+00 0.0000000E+00 Chg. balance for solid moles: -.1694E-20 Mass of aqueous solution: 0.914592E+03 g Temperature = 100.00 C Pressure = 50.00 bar Mixer frac. = 0.7599900 Log Log Vol Gas or mineral Moles Moles Grams Grams Wt.% (cm3) pyrite 0.3259E-07 -7.487 0.3910E-05 -5.408 0.5797E-03 0.7802E-06 quartz 0.1122E-01 -1.950 0.6741 -0.171 99.93 0.2546 topaz 0.2384E-05 -5.623 0.4388E-03 -3.358 0.6506E-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 topaz 0.1000E+01 0.1000E+01 1.0000 0.000 Solid products produced: Mass = 0.674521 g Volume = 0.254685 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: 0.7599900 moles log = -0.1192 Original solution: 1000.0103000 g Original solution / Rock added: 1315.82 (Water/Rock Ratio), log = 3.1192 Gas composition at saturation ( 2 iterations) ------------------------------------------------- Temperature: 100.0000 deg.C Sat. pressure: 7.1482 bar Gas Mole fraction phi Fugacity Partial P(bar) H2O,gas 0.1477E+00 0.9516 0.1005E+01 0.1056E+01 CO2,gas 0.7944E+00 0.9811 0.5571E+01 0.5679E+01 CH4,gas 0.7435E-06 1.0083 0.5358E-05 0.5314E-05 H2,gas 0.1380E-05 1.0038 0.9901E-05 0.9863E-05 H2S,gas 0.5790E-01 0.9727 0.4026E+00 0.4139E+00 S2,gas 0.8682E-11 1.0000 0.6206E-10 0.6206E-10 CO,gas 0.2059E-08 1.0000 0.1472E-07 0.1472E-07 SO3,gas 0.1628E-29 1.0000 0.1164E-28 0.1164E-28 SO2,gas 0.6278E-12 1.0000 0.4488E-11 0.4488E-11 HF,gas 0.2470E-08 1.0000 0.1766E-07 0.1766E-07 HCl,gas 0.7510E-12 1.0000 0.5368E-11 0.5368E-11 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+00 214 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 -1.697 0.28974E+04 0.002 2 CO2,gas -6.66 -7.61 -0.95 -0.318 0.16273E+04 0.746 3 CH4,gas 4.54 -2.43 -6.97 -1.742 0.11901E+05 -5.271 4 H2,gas 8.00 1.30 -6.70 -3.830 0.11446E+05 -5.004 5 H2S,gas -6.23 -8.32 -2.09 -1.047 0.35756E+04 -0.395 6 S2,gas -7.34 -19.24 -11.91 -1.832 0.20329E+05 -10.207 7 CO,gas 3.21 -6.32 -9.53 -2.933 0.16274E+05 -7.832 8 SO3,gas 17.12 -13.51 -30.63 -7.658 0.52305E+05 -28.934 9 SO2,gas 0.83 -12.21 -13.05 -3.479 0.22277E+05 -11.348 10 HF,gas 0.47 -8.98 -9.45 -4.726 0.16139E+05 -7.753 11 HCl,gas 5.19 -7.78 -12.97 -6.485 0.22144E+05 -11.270 16 albite-high 0.69 -3.12 -3.81 -0.293 0.65054E+04 17 albite -0.38 -3.12 -2.73 -0.210 0.46666E+04 21 analcite 3.32 -0.13 -3.45 -0.383 0.58906E+04 22 andalusite 5.00 1.41 -3.59 -0.359 0.61318E+04 25 anhydrite -5.32 -9.82 -4.51 -2.253 0.76935E+04 38 aragonite 0.97 -3.92 -4.89 -1.630 0.83503E+04 40 calcite 0.81 -3.92 -4.74 -1.579 0.80861E+04 57 coesite -2.38 -2.99 -0.61 -0.204 0.10473E+04 62 corundum 8.38 4.40 -3.98 -0.362 0.68014E+04 64 cristobalite -2.56 -2.99 -0.43 -0.143 0.73267E+03 68 diaspore 2.87 2.20 -0.67 -0.112 0.11510E+04 69 diamond -3.10 -5.02 -1.92 -0.548 0.32729E+04 86 gibbsite 4.08 2.20 -1.88 -0.269 0.32104E+04 89 graphite -3.55 -5.02 -1.47 -0.421 0.25151E+04 98 jadeite 4.22 -0.13 -4.34 -0.434 0.74151E+04 101 kaolinite -1.33 -1.58 -0.25 -0.022 0.42239E+03 102 kyanite 4.88 1.41 -3.47 -0.347 0.59177E+04 119 microcline -2.49 -5.28 -2.79 -0.215 0.47697E+04 123 muscovite 2.58 -0.88 -3.46 -0.204 0.59132E+04 124 paragonite 4.24 1.28 -2.96 -0.174 0.50492E+04 149 pyrophyllite -6.18 -7.56 -1.38 -0.086 0.23609E+04 154 rhodochrosite -0.98 -5.86 -4.88 -1.627 0.83324E+04 156 sanidine -1.28 -5.28 -4.00 -0.308 0.68375E+04 159 sillimanite 5.26 1.41 -3.85 -0.385 0.65758E+04 172 sulfur -9.15 -9.62 -0.47 -0.144 0.79991E+03 180 topaz-H 4.62 1.41 -3.21 -0.292 0.54787E+04 181 tridymite -2.63 -2.99 -0.36 -0.121 0.61998E+03 196 beidellite-Ca -1.65 -5.24 -3.59 -0.222 0.61327E+04 197 beidellite-H -2.33 -5.85 -3.52 -0.225 0.60101E+04 198 beidellite-K -1.52 -5.35 -3.83 -0.235 0.65474E+04 199 beidellite-Mg -1.79 -5.78 -3.99 -0.247 0.68159E+04 200 beidellite-Na -1.34 -4.64 -3.30 -0.202 0.56326E+04 202 chalcedony -2.80 -2.99 -0.19 -0.062 0.31930E+03 203 dawsonite 1.68 -1.76 -3.44 -0.431 0.58807E+04 207 montmorillonite-Na -2.04 -6.95 -4.91 -0.301 0.83885E+04 218 gypsum -4.96 -9.82 -4.87 -1.217 0.83128E+04 237 boehmite 4.41 2.20 -2.21 -0.368 0.37679E+04 240 fluorite -9.93 -14.27 -4.34 -1.446 0.74047E+04 245 silica-amorphous -2.09 -2.99 -0.90 -0.299 0.15335E+04 247 an20ab80 2.02 -2.07 -4.09 -0.315 0.69823E+04 248 an25ab75 2.65 -1.81 -4.46 -0.343 0.76082E+04 249 an30ab70 3.28 -1.55 -4.83 -0.371 0.82438E+04 Calculations done for 100.0000 Deg. C; 50.0000 bar Next reactant titration increment of: 0.0200000 MOLES Current total amount of reactant added: 0.7599900 MOLES New total amount of reactant added: 0.7799900 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 = 6 Loop limit = 400 Temperature = 100.00 C Pressure = 50.00 bar Mixer fraction = 0.7799900 Water: Moles liquid = 0.5056E+02 kg liquid = 0.9108E+00 Moles total = 0.5048E+02 kg total = 0.9095E+00 Activity = 0.9987 Stoichiometric ionic strength = .6139932E-01 Osmotic coef. = 0.8809 True ionic strength = .2618174E-01 Chg. balance for total moles = -.5508E-08 Max. difference allowed = 0.4740E-06 Log Log Log Species(n) Molality Molality Activity Activity Gamma Gamma 1 H+ 0.52389E-05 -5.2808 0.43218E-05 -5.3643 0.82495E+00 -0.0836 2 H2O 0.99874E+00 -0.0005 0.99874E+00 -0.0005 3 Cl- 0.51787E-02 -2.2858 0.42406E-02 -2.3726 0.81885E+00 -0.0868 4 SO4-- 0.40571E-02 -2.3918 0.19564E-02 -2.7085 0.48223E+00 -0.3167 5 HCO3- 0.71030E-02 -2.1486 0.58268E-02 -2.2346 0.82033E+00 -0.0860 6 HS- 0.13817E-02 -2.8596 0.11316E-02 -2.9463 0.81900E+00 -0.0867 7 Al+++ 0.59502E-13 -13.2255 0.11615E-13 -13.9350 0.19520E+00 -0.7095 8 H4SiO4 0.10220E-02 -2.9905 0.10220E-02 -2.9905 0.10000E+01 0.0000 9 Ca++ 0.16430E-06 -6.7843 0.78514E-07 -7.1051 0.47786E+00 -0.3207 10 Mg++ 0.83509E-10 -10.0783 0.39681E-10 -10.4014 0.47517E+00 -0.3232 11 Fe++ 0.17756E-13 -13.7506 0.84487E-14 -14.0732 0.47581E+00 -0.3226 12 K+ 0.15047E-03 -3.8225 0.12347E-03 -3.9084 0.82056E+00 -0.0859 13 Na+ 0.21967E-01 -1.6582 0.17984E-01 -1.7451 0.81866E+00 -0.0869 14 Mn++ 0.19208E-08 -8.7165 0.91487E-09 -9.0386 0.47629E+00 -0.3221 15 F- 0.32836E-03 -3.4837 0.26820E-03 -3.5715 0.81679E+00 -0.0879 16 HPO4-- 0.95420E-09 -9.0204 0.46022E-09 -9.3370 0.48232E+00 -0.3167 18 HSiO3- 0.27000E-06 -6.5686 0.22109E-06 -6.6554 0.81885E+00 -0.0868 19 Ca(HSiO3)+ 0.48166E-12 -12.3173 0.39533E-12 -12.4030 0.82078E+00 -0.0858 20 Mg(HSiO3)+ 0.30295E-15 -15.5186 0.24865E-15 -15.6044 0.82078E+00 -0.0858 21 NaHSiO3,aq 0.64308E-07 -7.1917 0.64308E-07 -7.1917 0.10000E+01 0.0000 22 AlO+ 0.10294E-09 -9.9874 0.84492E-10 -10.0732 0.82078E+00 -0.0858 23 AlOH+2 0.38129E-11 -11.4187 0.18183E-11 -11.7403 0.47687E+00 -0.3216 24 HAlO2,aq 0.38884E-08 -8.4102 0.38884E-08 -8.4102 0.10000E+01 0.0000 25 AlO2- 0.24376E-08 -8.6130 0.19916E-08 -8.7008 0.81704E+00 -0.0878 26 CH4,aq 0.33272E-08 -8.4779 0.32695E-08 -8.4855 0.98266E+00 -0.0076 27 C2H6,aq 0.25549E-18 -18.5926 0.25106E-18 -18.6002 0.98266E+00 -0.0076 31 CO,aq 0.98640E-11 -11.0059 0.98640E-11 -11.0059 0.10000E+01 0.0000 32 CO2,aq 0.54827E-01 -1.2610 0.53876E-01 -1.2686 0.98266E+00 -0.0076 33 CO3-2 0.24484E-06 -6.6111 0.11776E-06 -6.9290 0.48097E+00 -0.3179 34 CaCO3,aq 0.11594E-09 -9.9358 0.11594E-09 -9.9358 0.10000E+01 0.0000 35 Ca(HCO3)+ 0.14228E-07 -7.8469 0.11678E-07 -7.9326 0.82078E+00 -0.0858 36 CaCl+ 0.65647E-09 -9.1828 0.53881E-09 -9.2686 0.82078E+00 -0.0858 37 CaCl2,aq 0.54284E-12 -12.2653 0.54284E-12 -12.2653 0.10000E+01 0.0000 38 CaF+ 0.37457E-09 -9.4265 0.30744E-09 -9.5122 0.82078E+00 -0.0858 39 CaOH+ 0.15755E-11 -11.8026 0.12931E-11 -11.8884 0.82078E+00 -0.0858 40 CaSO4,aq 0.48778E-07 -7.3118 0.48778E-07 -7.3118 0.10000E+01 0.0000 41 HCl,aq 0.33583E-08 -8.4739 0.33583E-08 -8.4739 0.10000E+01 0.0000 45 HF,aq 0.79348E-05 -5.1005 0.79348E-05 -5.1005 0.10000E+01 0.0000 46 HF2- 0.87745E-09 -9.0568 0.71850E-09 -9.1436 0.81885E+00 -0.0868 48 FeCl+ 0.69091E-16 -16.1606 0.56709E-16 -16.2463 0.82078E+00 -0.0858 51 FeF+ 0.14108E-15 -15.8505 0.11579E-15 -15.9363 0.82078E+00 -0.0858 53 FeO,aq 0.17558E-19 -19.7555 0.17558E-19 -19.7555 0.10000E+01 0.0000 54 FeOH+ 0.77431E-16 -16.1111 0.63554E-16 -16.1969 0.82078E+00 -0.0858 59 HFeO2,aq 0.10686E-19 -19.9712 0.10686E-19 -19.9712 0.10000E+01 0.0000 60 H2,aq 0.74074E-08 -8.1303 0.72790E-08 -8.1379 0.98266E+00 -0.0076 61 KCl,aq 0.94897E-08 -8.0227 0.94897E-08 -8.0227 0.10000E+01 0.0000 62 KHSO4,aq 0.29518E-11 -11.5299 0.29518E-11 -11.5299 0.10000E+01 0.0000 63 KOH,aq 0.12185E-10 -10.9142 0.12185E-10 -10.9142 0.10000E+01 0.0000 64 KSO4- 0.45778E-05 -5.3393 0.37485E-05 -5.4261 0.81885E+00 -0.0868 65 MgCO3,aq 0.14687E-13 -13.8331 0.14687E-13 -13.8331 0.10000E+01 0.0000 66 Mg(HCO3)+ 0.73475E-11 -11.1339 0.60307E-11 -11.2196 0.82078E+00 -0.0858 67 MgCl+ 0.30070E-12 -12.5219 0.24681E-12 -12.6076 0.82078E+00 -0.0858 68 MgF+ 0.70125E-12 -12.1541 0.57557E-12 -12.2399 0.82078E+00 -0.0858 69 MgOH+ 0.44060E-14 -14.3560 0.36164E-14 -14.4417 0.82078E+00 -0.0858 71 MnF+ 0.50353E-11 -11.2980 0.41329E-11 -11.3838 0.82078E+00 -0.0858 72 MnO,aq 0.50661E-16 -16.2953 0.50661E-16 -16.2953 0.10000E+01 0.0000 73 MnOH+ 0.77891E-12 -12.1085 0.63931E-12 -12.1943 0.82078E+00 -0.0858 78 MnCl+ 0.29107E-10 -10.5360 0.23890E-10 -10.6218 0.82078E+00 -0.0858 79 MnSO4,aq 0.51673E-09 -9.2867 0.51673E-09 -9.2867 0.10000E+01 0.0000 80 NaCl,aq 0.25273E-04 -4.5973 0.25273E-04 -4.5973 0.10000E+01 0.0000 81 NaF,aq 0.11292E-05 -5.9472 0.11292E-05 -5.9472 0.10000E+01 0.0000 82 NaOH,aq 0.17856E-08 -8.7482 0.17856E-08 -8.7482 0.10000E+01 0.0000 84 OH- 0.16342E-06 -6.7867 0.13352E-06 -6.8745 0.81704E+00 -0.0878 89 HPO3-2 0.21733E-19 -19.6629 0.10453E-19 -19.9808 0.48097E+00 -0.3179 91 H2PO3- 0.11063E-18 -18.9561 0.90590E-19 -19.0429 0.81885E+00 -0.0868 92 H3PO4,aq 0.60120E-10 -10.2210 0.60120E-10 -10.2210 0.10000E+01 0.0000 93 H2PO4- 0.44756E-07 -7.3491 0.36692E-07 -7.4354 0.81981E+00 -0.0863 94 PO4-3 0.41900E-15 -15.3778 0.86883E-16 -16.0611 0.20736E+00 -0.6833 96 H3P2O7- 0.17213E-18 -18.7641 0.14095E-18 -18.8509 0.81885E+00 -0.0868 97 H2P2O7-2 0.21975E-15 -15.6581 0.10569E-15 -15.9759 0.48097E+00 -0.3179 98 HP2O7-3 0.24983E-16 -16.6024 0.48833E-17 -17.3113 0.19547E+00 -0.7089 100 H2S,aq 0.15381E-01 -1.8130 0.15115E-01 -1.8206 0.98266E+00 -0.0076 101 S2-2 0.81041E-08 -8.0913 0.38979E-08 -8.4092 0.48097E+00 -0.3179 102 S3-2 0.22672E-07 -7.6445 0.10904E-07 -7.9624 0.48097E+00 -0.3179 103 S3- 0.45217E-06 -6.3447 0.37026E-06 -6.4315 0.81885E+00 -0.0868 104 S4-2 0.41896E-07 -7.3778 0.20151E-07 -7.6957 0.48097E+00 -0.3179 105 S5-2 0.51626E-07 -7.2871 0.24831E-07 -7.6050 0.48097E+00 -0.3179 106 SO2,aq 0.11909E-11 -11.9241 0.11909E-11 -11.9241 0.10000E+01 0.0000 107 SO3-2 0.37851E-11 -11.4219 0.18529E-11 -11.7321 0.48954E+00 -0.3102 108 HSO3- 0.61233E-09 -9.2130 0.50140E-09 -9.2998 0.81885E+00 -0.0868 109 HSO4- 0.99159E-05 -5.0037 0.81486E-05 -5.0889 0.82177E+00 -0.0852 111 S2O3-2 0.72312E-06 -6.1408 0.34780E-06 -6.4587 0.48097E+00 -0.3179 112 HS2O3- 0.32822E-09 -9.4838 0.26876E-09 -9.5706 0.81885E+00 -0.0868 113 H2S2O3,aq 0.18621E-13 -13.7300 0.18621E-13 -13.7300 0.10000E+01 0.0000 121 S4O6-2 0.13695E-15 -15.8634 0.65871E-16 -16.1813 0.48097E+00 -0.3179 Charge balance for all species = -.6047E-08 Component Molality Aq.molality ppm log[A(N)/A(H+)**Z] (total) 1 H+ 0.5238864E-05 0.7023259E-01 0.7046566E+02 0.0000 2 H2O 0.1000000E+01 0.5545342E+02 0.9944295E+06 0.0000 3 Cl- 0.5178691E-02 0.5203978E-02 0.1836507E+03 2.9918 4 SO4-- 0.4057071E-02 0.4072712E-02 0.3894374E+03 8.0201 5 HCO3- 0.7102959E-02 0.6193000E-01 0.3761469E+04 3.1298 6 HS- 0.1381654E-02 0.1676504E-01 0.5519113E+03 2.4180 7 Al+++ 0.5950178E-13 0.6432858E-08 0.1727723E-03 2.1580 8 H4SiO4 0.1022038E-02 0.1022373E-02 0.9781520E+02 -2.9905 9 Ca++ 0.1643050E-06 0.2284603E-06 0.9114250E-02 3.6236 10 Mg++ 0.8350923E-10 0.9187806E-10 0.2223498E-05 0.3273 11 Fe++ 0.1775646E-13 0.1804409E-13 0.1003088E-08 -3.3445 12 K+ 0.1504722E-03 0.1550594E-03 0.6035335E+01 1.4559 13 Na+ 0.2196735E-01 0.2199382E-01 0.5033152E+03 3.6192 14 Mn++ 0.1920812E-08 0.2472463E-08 0.1352094E-03 1.6900 15 F- 0.3283556E-03 0.3374218E-03 0.6380948E+01 1.7928 16 HPO4-- 0.9541967E-09 0.4577055E-07 0.4372870E-02 1.3916 Component Tot moles Aq. moles Solid moles Gas moles 1 H+ 0.6395888E-01 0.6396841E-01 -.9530838E-05 0.0000000E+00 2 H2O 0.5048499E+02 0.5050743E+02 -.2243893E-01 0.0000000E+00 3 Cl- 0.4739825E-02 0.4739825E-02 0.0000000E+00 0.0000000E+00 4 SO4-- 0.3709467E-02 0.3709459E-02 0.8148063E-08 0.0000000E+00 5 HCO3- 0.5640635E-01 0.5640635E-01 0.0000000E+00 0.0000000E+00 6 HS- 0.1526979E-01 0.1526974E-01 0.5703644E-07 0.0000000E+00 7 Al+++ 0.4775352E-05 0.5859099E-08 0.4769493E-05 0.0000000E+00 8 H4SiO4 0.1215302E-01 0.9311852E-03 0.1122183E-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 0.1643470E-13 0.3259225E-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- 0.3120960E-03 0.3073265E-03 0.4769493E-05 0.0000000E+00 16 HPO4-- 0.4168819E-07 0.4168819E-07 0.0000000E+00 0.0000000E+00 Chg. balance for solid moles: 0.8470E-21 Mass of aqueous solution: 0.915003E+03 g Temperature = 100.00 C Pressure = 50.00 bar Mixer frac. = 0.7799900 Log Log Vol Gas or mineral Moles Moles Grams Grams Wt.% (cm3) pyrite 0.3259E-07 -7.487 0.3910E-05 -5.408 0.5797E-03 0.7802E-06 quartz 0.1122E-01 -1.950 0.6741 -0.171 99.93 0.2546 topaz 0.2385E-05 -5.623 0.4389E-03 -3.358 0.6507E-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 topaz 0.1000E+01 0.1000E+01 1.0000 0.000 Solid products produced: Mass = 0.674507 g Volume = 0.254680 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: 0.7799900 moles log = -0.1079 Original solution: 1000.0103000 g Original solution / Rock added: 1282.08 (Water/Rock Ratio), log = 3.1079 Gas composition at saturation ( 2 iterations) ------------------------------------------------- Temperature: 100.0000 deg.C Sat. pressure: 7.3637 bar Gas Mole fraction phi Fugacity Partial P(bar) H2O,gas 0.1435E+00 0.9507 0.1005E+01 0.1057E+01 CO2,gas 0.7984E+00 0.9804 0.5764E+01 0.5879E+01 CH4,gas 0.6481E-06 1.0084 0.4813E-05 0.4773E-05 H2,gas 0.1293E-05 1.0039 0.9556E-05 0.9519E-05 H2S,gas 0.5806E-01 0.9719 0.4155E+00 0.4275E+00 S2,gas 0.9635E-11 1.0000 0.7095E-10 0.7095E-10 CO,gas 0.1996E-08 1.0000 0.1470E-07 0.1470E-07 SO3,gas 0.1879E-29 1.0000 0.1383E-28 0.1383E-28 SO2,gas 0.6994E-12 1.0000 0.5150E-11 0.5150E-11 HF,gas 0.2646E-08 1.0000 0.1948E-07 0.1948E-07 HCl,gas 0.8047E-12 1.0000 0.5926E-11 0.5926E-11 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+00 214 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 -1.697 0.28975E+04 0.002 2 CO2,gas -6.66 -7.60 -0.94 -0.313 0.16020E+04 0.761 3 CH4,gas 4.54 -2.47 -7.02 -1.754 0.11981E+05 -5.318 4 H2,gas 8.00 1.28 -6.72 -3.839 0.11472E+05 -5.020 5 H2S,gas -6.23 -8.31 -2.08 -1.040 0.35522E+04 -0.381 6 S2,gas -7.34 -19.18 -11.85 -1.823 0.20230E+05 -10.149 7 CO,gas 3.21 -6.32 -9.53 -2.933 0.16275E+05 -7.833 8 SO3,gas 17.12 -13.44 -30.56 -7.640 0.52177E+05 -28.859 9 SO2,gas 0.83 -12.16 -12.99 -3.463 0.22175E+05 -11.288 10 HF,gas 0.47 -8.94 -9.41 -4.705 0.16066E+05 -7.710 11 HCl,gas 5.19 -7.74 -12.93 -6.463 0.22071E+05 -11.227 16 albite-high 0.69 -3.19 -3.89 -0.299 0.66339E+04 17 albite -0.38 -3.19 -2.81 -0.216 0.47951E+04 21 analcite 3.32 -0.20 -3.53 -0.392 0.60191E+04 22 andalusite 5.00 1.32 -3.68 -0.368 0.62776E+04 25 anhydrite -5.32 -9.81 -4.50 -2.248 0.76781E+04 38 aragonite 0.97 -3.98 -4.94 -1.647 0.84380E+04 40 calcite 0.81 -3.98 -4.79 -1.596 0.81738E+04 57 coesite -2.38 -2.99 -0.61 -0.204 0.10473E+04 62 corundum 8.38 4.31 -4.07 -0.370 0.69472E+04 64 cristobalite -2.56 -2.99 -0.43 -0.143 0.73267E+03 68 diaspore 2.87 2.16 -0.72 -0.119 0.12239E+04 69 diamond -3.10 -5.04 -1.93 -0.552 0.33000E+04 86 gibbsite 4.08 2.16 -1.92 -0.275 0.32834E+04 89 graphite -3.55 -5.04 -1.49 -0.425 0.25423E+04 98 jadeite 4.22 -0.20 -4.42 -0.442 0.75436E+04 101 kaolinite -1.33 -1.67 -0.33 -0.030 0.56825E+03 102 kyanite 4.88 1.32 -3.55 -0.355 0.60635E+04 119 microcline -2.49 -5.36 -2.87 -0.221 0.48987E+04 123 muscovite 2.58 -1.04 -3.62 -0.213 0.61880E+04 124 paragonite 4.24 1.12 -3.12 -0.183 0.53235E+04 149 pyrophyllite -6.18 -7.64 -1.47 -0.092 0.25067E+04 154 rhodochrosite -0.98 -5.91 -4.93 -1.644 0.84222E+04 156 sanidine -1.28 -5.36 -4.08 -0.314 0.69665E+04 159 sillimanite 5.26 1.32 -3.94 -0.394 0.67216E+04 172 sulfur -9.15 -9.59 -0.44 -0.135 0.75027E+03 180 topaz-H 4.62 1.32 -3.29 -0.299 0.56245E+04 181 tridymite -2.63 -2.99 -0.36 -0.121 0.61998E+03 196 beidellite-Ca -1.65 -5.35 -3.70 -0.229 0.63212E+04 197 beidellite-H -2.33 -5.95 -3.62 -0.231 0.61800E+04 198 beidellite-K -1.52 -5.47 -3.94 -0.242 0.67358E+04 199 beidellite-Mg -1.79 -5.89 -4.10 -0.254 0.70037E+04 200 beidellite-Na -1.34 -4.75 -3.41 -0.209 0.58208E+04 202 chalcedony -2.80 -2.99 -0.19 -0.062 0.31930E+03 203 dawsonite 1.68 -1.82 -3.50 -0.438 0.59840E+04 218 gypsum -4.96 -9.81 -4.86 -1.215 0.82976E+04 237 boehmite 4.41 2.16 -2.25 -0.375 0.38408E+04 240 fluorite -9.93 -14.25 -4.32 -1.439 0.73719E+04 245 silica-amorphous -2.09 -2.99 -0.90 -0.299 0.15335E+04 247 an20ab80 2.02 -2.16 -4.18 -0.322 0.71369E+04 248 an25ab75 2.65 -1.90 -4.55 -0.350 0.77693E+04 249 an30ab70 3.28 -1.65 -4.93 -0.379 0.84113E+04 Calculations done for 100.0000 Deg. C; 50.0000 bar Next reactant titration increment of: 0.0200000 MOLES Current total amount of reactant added: 0.7799900 MOLES New total amount of reactant added: 0.7999900 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 = 7 Loop limit = 400 Temperature = 100.00 C Pressure = 50.00 bar Mixer fraction = 0.7999900 Water: Moles liquid = 0.5058E+02 kg liquid = 0.9111E+00 Moles total = 0.5050E+02 kg total = 0.9098E+00 Activity = 0.9987 Stoichiometric ionic strength = .6266731E-01 Osmotic coef. = 0.8802 True ionic strength = .2627568E-01 Chg. balance for total moles = -.5508E-08 Max. difference allowed = 0.4858E-06 Log Log Log Species(n) Molality Molality Activity Activity Gamma Gamma 1 H+ 0.56470E-05 -5.2482 0.46572E-05 -5.3319 0.82472E+00 -0.0837 2 H2O 0.99869E+00 -0.0006 0.99869E+00 -0.0006 3 Cl- 0.53057E-02 -2.2753 0.43433E-02 -2.3622 0.81861E+00 -0.0869 4 SO4-- 0.41592E-02 -2.3810 0.20036E-02 -2.6982 0.48172E+00 -0.3172 5 HCO3- 0.68138E-02 -2.1666 0.55879E-02 -2.2528 0.82009E+00 -0.0861 6 HS- 0.13223E-02 -2.8787 0.10826E-02 -2.9655 0.81876E+00 -0.0868 7 Al+++ 0.67673E-13 -13.1696 0.13179E-13 -13.8801 0.19474E+00 -0.7105 8 H4SiO4 0.10220E-02 -2.9906 0.10220E-02 -2.9906 0.10000E+01 0.0000 9 Ca++ 0.16386E-06 -6.7855 0.78217E-07 -7.1067 0.47734E+00 -0.3212 10 Mg++ 0.83740E-10 -10.0771 0.39747E-10 -10.4007 0.47465E+00 -0.3236 11 Fe++ 0.18738E-13 -13.7273 0.89061E-14 -14.0503 0.47529E+00 -0.3230 12 K+ 0.15031E-03 -3.8230 0.12330E-03 -3.9090 0.82032E+00 -0.0860 13 Na+ 0.21959E-01 -1.6584 0.17971E-01 -1.7454 0.81842E+00 -0.0870 14 Mn++ 0.19104E-08 -8.7189 0.90891E-09 -9.0415 0.47578E+00 -0.3226 15 F- 0.33617E-03 -3.4734 0.27450E-03 -3.5615 0.81654E+00 -0.0880 16 HPO4-- 0.88706E-09 -9.0520 0.42739E-09 -9.3692 0.48181E+00 -0.3171 18 HSiO3- 0.25062E-06 -6.6010 0.20516E-06 -6.6879 0.81861E+00 -0.0869 19 Ca(HSiO3)+ 0.44539E-12 -12.3513 0.36546E-12 -12.4372 0.82054E+00 -0.0859 20 Mg(HSiO3)+ 0.28167E-15 -15.5503 0.23112E-15 -15.6362 0.82054E+00 -0.0859 21 NaHSiO3,aq 0.59633E-07 -7.2245 0.59633E-07 -7.2245 0.10000E+01 0.0000 22 AlO+ 0.10061E-09 -9.9974 0.82552E-10 -10.0833 0.82054E+00 -0.0859 23 AlOH+2 0.40189E-11 -11.3959 0.19144E-11 -11.7180 0.47635E+00 -0.3221 24 HAlO2,aq 0.35254E-08 -8.4528 0.35254E-08 -8.4528 0.10000E+01 0.0000 25 AlO2- 0.20515E-08 -8.6879 0.16756E-08 -8.7758 0.81680E+00 -0.0879 26 CH4,aq 0.29818E-08 -8.5255 0.29291E-08 -8.5333 0.98234E+00 -0.0077 27 C2H6,aq 0.21259E-18 -18.6725 0.20883E-18 -18.6802 0.98234E+00 -0.0077 31 CO,aq 0.98367E-11 -11.0072 0.98367E-11 -11.0072 0.10000E+01 0.0000 32 CO2,aq 0.56681E-01 -1.2466 0.55680E-01 -1.2543 0.98234E+00 -0.0077 33 CO3-2 0.21812E-06 -6.6613 0.10480E-06 -6.9796 0.48046E+00 -0.3183 34 CaCO3,aq 0.10278E-09 -9.9881 0.10278E-09 -9.9881 0.10000E+01 0.0000 35 Ca(HCO3)+ 0.13597E-07 -7.8666 0.11157E-07 -7.9525 0.82054E+00 -0.0859 36 CaCl+ 0.67002E-09 -9.1739 0.54978E-09 -9.2598 0.82054E+00 -0.0859 37 CaCl2,aq 0.56731E-12 -12.2462 0.56731E-12 -12.2462 0.10000E+01 0.0000 38 CaF+ 0.38203E-09 -9.4179 0.31347E-09 -9.5038 0.82054E+00 -0.0859 39 CaOH+ 0.14568E-11 -11.8366 0.11954E-11 -11.9225 0.82054E+00 -0.0859 40 CaSO4,aq 0.49765E-07 -7.3031 0.49765E-07 -7.3031 0.10000E+01 0.0000 41 HCl,aq 0.37067E-08 -8.4310 0.37067E-08 -8.4310 0.10000E+01 0.0000 45 HF,aq 0.87515E-05 -5.0579 0.87515E-05 -5.0579 0.10000E+01 0.0000 46 HF2- 0.99079E-09 -9.0040 0.81107E-09 -9.0909 0.81861E+00 -0.0869 48 FeCl+ 0.74618E-16 -16.1272 0.61227E-16 -16.2131 0.82054E+00 -0.0859 51 FeF+ 0.15225E-15 -15.8174 0.12493E-15 -15.9033 0.82054E+00 -0.0859 53 FeO,aq 0.15938E-19 -19.7976 0.15938E-19 -19.7976 0.10000E+01 0.0000 54 FeOH+ 0.75763E-16 -16.1205 0.62167E-16 -16.2064 0.82054E+00 -0.0859 60 H2,aq 0.71497E-08 -8.1457 0.70235E-08 -8.1534 0.98234E+00 -0.0077 61 KCl,aq 0.97064E-08 -8.0129 0.97064E-08 -8.0129 0.10000E+01 0.0000 62 KHSO4,aq 0.32531E-11 -11.4877 0.32531E-11 -11.4877 0.10000E+01 0.0000 63 KOH,aq 0.11292E-10 -10.9472 0.11292E-10 -10.9472 0.10000E+01 0.0000 64 KSO4- 0.46831E-05 -5.3295 0.38336E-05 -5.4164 0.81861E+00 -0.0869 65 MgCO3,aq 0.13092E-13 -13.8830 0.13092E-13 -13.8830 0.10000E+01 0.0000 66 Mg(HCO3)+ 0.70601E-11 -11.1512 0.57931E-11 -11.2371 0.82054E+00 -0.0859 67 MgCl+ 0.30859E-12 -12.5106 0.25321E-12 -12.5965 0.82054E+00 -0.0859 68 MgF+ 0.71913E-12 -12.1432 0.59008E-12 -12.2291 0.82054E+00 -0.0859 69 MgOH+ 0.40965E-14 -14.3876 0.33614E-14 -14.4735 0.82054E+00 -0.0859 71 MnF+ 0.51215E-11 -11.2906 0.42024E-11 -11.3765 0.82054E+00 -0.0859 72 MnO,aq 0.43341E-16 -16.3631 0.43341E-16 -16.3631 0.10000E+01 0.0000 73 MnOH+ 0.71828E-12 -12.1437 0.58938E-12 -12.2296 0.82054E+00 -0.0859 78 MnCl+ 0.29627E-10 -10.5283 0.24310E-10 -10.6142 0.82054E+00 -0.0859 79 MnSO4,aq 0.52573E-09 -9.2792 0.52573E-09 -9.2792 0.10000E+01 0.0000 80 NaCl,aq 0.25868E-04 -4.5872 0.25868E-04 -4.5872 0.10000E+01 0.0000 81 NaF,aq 0.11549E-05 -5.9374 0.11549E-05 -5.9374 0.10000E+01 0.0000 82 NaOH,aq 0.16558E-08 -8.7810 0.16558E-08 -8.7810 0.10000E+01 0.0000 84 OH- 0.15169E-06 -6.8190 0.12390E-06 -6.9069 0.81680E+00 -0.0879 89 HPO3-2 0.19495E-19 -19.7101 0.93668E-20 -20.0284 0.48046E+00 -0.3183 91 H2PO3- 0.10686E-18 -18.9712 0.87477E-19 -19.0581 0.81861E+00 -0.0869 92 H3PO4,aq 0.64834E-10 -10.1882 0.64834E-10 -10.1882 0.10000E+01 0.0000 93 H2PO4- 0.44802E-07 -7.3487 0.36719E-07 -7.4351 0.81957E+00 -0.0864 94 PO4-3 0.36188E-15 -15.4414 0.74874E-16 -16.1257 0.20690E+00 -0.6842 96 H3P2O7- 0.18583E-18 -18.7309 0.15212E-18 -18.8178 0.81861E+00 -0.0869 97 H2P2O7-2 0.22032E-15 -15.6570 0.10585E-15 -15.9753 0.48046E+00 -0.3183 98 HP2O7-3 0.23273E-16 -16.6331 0.45385E-17 -17.3431 0.19501E+00 -0.7099 100 H2S,aq 0.15863E-01 -1.7996 0.15583E-01 -1.8074 0.98234E+00 -0.0077 101 S2-2 0.76960E-08 -8.1137 0.36977E-08 -8.4321 0.48046E+00 -0.3183 102 S3-2 0.23005E-07 -7.6382 0.11053E-07 -7.9565 0.48046E+00 -0.3183 103 S3- 0.50296E-06 -6.2985 0.41173E-06 -6.3854 0.81861E+00 -0.0869 104 S4-2 0.45424E-07 -7.3427 0.21824E-07 -7.6611 0.48046E+00 -0.3183 105 S5-2 0.59807E-07 -7.2233 0.28735E-07 -7.5416 0.48046E+00 -0.3183 106 SO2,aq 0.13667E-11 -11.8643 0.13667E-11 -11.8643 0.10000E+01 0.0000 107 SO3-2 0.37442E-11 -11.4266 0.18311E-11 -11.7373 0.48904E+00 -0.3107 108 HSO3- 0.65224E-09 -9.1856 0.53393E-09 -9.2725 0.81861E+00 -0.0869 109 HSO4- 0.10946E-04 -4.9607 0.89926E-05 -5.0461 0.82154E+00 -0.0854 111 S2O3-2 0.76433E-06 -6.1167 0.36723E-06 -6.4351 0.48046E+00 -0.3183 112 HS2O3- 0.37356E-09 -9.4276 0.30580E-09 -9.5146 0.81861E+00 -0.0869 113 H2S2O3,aq 0.22831E-13 -13.6415 0.22831E-13 -13.6415 0.10000E+01 0.0000 121 S4O6-2 0.18395E-15 -15.7353 0.88381E-16 -16.0536 0.48046E+00 -0.3183 Charge balance for all species = -.6045E-08 Component Molality Aq.molality ppm log[A(N)/A(H+)**Z] (total) 1 H+ 0.5647011E-05 0.7257102E-01 0.7280513E+02 0.0000 2 H2O 0.1000000E+01 0.5545157E+02 0.9943044E+06 0.0000 3 Cl- 0.5305744E-02 0.5331626E-02 0.1881381E+03 2.9697 4 SO4-- 0.4159209E-02 0.4176070E-02 0.3992838E+03 7.9656 5 HCO3- 0.6813765E-02 0.6349489E-01 0.3856161E+04 3.0791 6 HS- 0.1322263E-02 0.1718764E-01 0.5657710E+03 2.3663 7 Al+++ 0.6767279E-13 0.5681600E-08 0.1525811E-03 2.1155 8 H4SiO4 0.1021952E-02 0.1022263E-02 0.9779564E+02 -2.9906 9 Ca++ 0.1638600E-06 0.2283786E-06 0.9110150E-02 3.5571 10 Mg++ 0.8373995E-10 0.9184521E-10 0.2222497E-05 0.2631 11 Fe++ 0.1873822E-13 0.1904088E-13 0.1058403E-08 -3.3866 12 K+ 0.1503112E-03 0.1550040E-03 0.6032620E+01 1.4228 13 Na+ 0.2195887E-01 0.2198596E-01 0.5030888E+03 3.5865 14 Mn++ 0.1910378E-08 0.2471579E-08 0.1351485E-03 1.6223 15 F- 0.3361719E-03 0.3460807E-03 0.6544090E+01 1.7704 16 HPO4-- 0.8870590E-09 0.4575419E-07 0.4370902E-02 1.2946 Component Tot moles Aq. moles Solid moles Gas moles 1 H+ 0.6611238E-01 0.6612192E-01 -.9532203E-05 0.0000000E+00 2 H2O 0.5050136E+02 0.5052380E+02 -.2243847E-01 0.0000000E+00 3 Cl- 0.4857825E-02 0.4857825E-02 0.0000000E+00 0.0000000E+00 4 SO4-- 0.3804967E-02 0.3804959E-02 0.8148063E-08 0.0000000E+00 5 HCO3- 0.5785235E-01 0.5785235E-01 0.0000000E+00 0.0000000E+00 6 HS- 0.1566029E-01 0.1566024E-01 0.5703644E-07 0.0000000E+00 7 Al+++ 0.4775352E-05 0.5176698E-08 0.4770175E-05 0.0000000E+00 8 H4SiO4 0.1215302E-01 0.9314181E-03 0.1122160E-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 0.1734879E-13 0.3259225E-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- 0.3200960E-03 0.3153258E-03 0.4770175E-05 0.0000000E+00 16 HPO4-- 0.4168819E-07 0.4168819E-07 0.0000000E+00 0.0000000E+00 Chg. balance for solid moles: -.8470E-21 Mass of aqueous solution: 0.915415E+03 g Temperature = 100.00 C Pressure = 50.00 bar Mixer frac. = 0.7999900 Log Log Vol Gas or mineral Moles Moles Grams Grams Wt.% (cm3) pyrite 0.3259E-07 -7.487 0.3910E-05 -5.408 0.5798E-03 0.7802E-06 quartz 0.1122E-01 -1.950 0.6741 -0.171 99.93 0.2546 topaz 0.2385E-05 -5.622 0.4390E-03 -3.358 0.6508E-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 topaz 0.1000E+01 0.1000E+01 1.0000 0.000 Solid products produced: Mass = 0.674493 g Volume = 0.254674 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: 0.7999900 moles log = -0.0969 Original solution: 1000.0103000 g Original solution / Rock added: 1250.03 (Water/Rock Ratio), log = 3.0969 Gas composition at saturation ( 2 iterations) ------------------------------------------------- Temperature: 100.0000 deg.C Sat. pressure: 7.5792 bar Gas Mole fraction phi Fugacity Partial P(bar) H2O,gas 0.1396E+00 0.9497 0.1005E+01 0.1058E+01 CO2,gas 0.8022E+00 0.9798 0.5957E+01 0.6080E+01 CH4,gas 0.5641E-06 1.0085 0.4311E-05 0.4275E-05 H2,gas 0.1212E-05 1.0040 0.9221E-05 0.9184E-05 H2S,gas 0.5820E-01 0.9711 0.4284E+00 0.4411E+00 S2,gas 0.1069E-10 1.0000 0.8101E-10 0.8101E-10 CO,gas 0.1934E-08 1.0000 0.1466E-07 0.1466E-07 SO3,gas 0.2171E-29 1.0000 0.1645E-28 0.1645E-28 SO2,gas 0.7798E-12 1.0000 0.5910E-11 0.5910E-11 HF,gas 0.2835E-08 1.0000 0.2149E-07 0.2149E-07 HCl,gas 0.8630E-12 1.0000 0.6541E-11 0.6541E-11 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+00 214 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 -1.697 0.28975E+04 0.002 2 CO2,gas -6.66 -7.58 -0.92 -0.308 0.15776E+04 0.775 3 CH4,gas 4.54 -2.52 -7.06 -1.766 0.12062E+05 -5.365 4 H2,gas 8.00 1.27 -6.73 -3.848 0.11498E+05 -5.035 5 H2S,gas -6.23 -8.30 -2.07 -1.034 0.35296E+04 -0.368 6 S2,gas -7.34 -19.13 -11.79 -1.814 0.20132E+05 -10.091 7 CO,gas 3.21 -6.32 -9.53 -2.933 0.16277E+05 -7.834 8 SO3,gas 17.12 -13.36 -30.48 -7.621 0.52048E+05 -28.784 9 SO2,gas 0.83 -12.10 -12.93 -3.447 0.22073E+05 -11.228 10 HF,gas 0.47 -8.89 -9.37 -4.683 0.15994E+05 -7.668 11 HCl,gas 5.19 -7.69 -12.88 -6.442 0.21998E+05 -11.184 16 albite-high 0.69 -3.27 -3.96 -0.305 0.67625E+04 17 albite -0.38 -3.27 -2.88 -0.222 0.49237E+04 21 analcite 3.32 -0.28 -3.60 -0.400 0.61477E+04 22 andalusite 5.00 1.24 -3.76 -0.376 0.64230E+04 25 anhydrite -5.32 -9.80 -4.49 -2.244 0.76633E+04 38 aragonite 0.97 -4.03 -4.99 -1.665 0.85273E+04 40 calcite 0.81 -4.03 -4.84 -1.613 0.82631E+04 57 coesite -2.38 -2.99 -0.61 -0.204 0.10473E+04 62 corundum 8.38 4.23 -4.15 -0.378 0.70926E+04 64 cristobalite -2.56 -2.99 -0.43 -0.143 0.73267E+03 68 diaspore 2.87 2.11 -0.76 -0.127 0.12965E+04 69 diamond -3.10 -5.05 -1.95 -0.557 0.33285E+04 86 gibbsite 4.08 2.11 -1.97 -0.281 0.33561E+04 89 graphite -3.55 -5.05 -1.51 -0.430 0.25708E+04 98 jadeite 4.22 -0.28 -4.49 -0.449 0.76722E+04 101 kaolinite -1.33 -1.75 -0.42 -0.038 0.71364E+03 102 kyanite 4.88 1.24 -3.64 -0.364 0.62089E+04 119 microcline -2.49 -5.43 -2.94 -0.227 0.50278E+04 123 muscovite 2.58 -1.20 -3.78 -0.223 0.64625E+04 124 paragonite 4.24 0.96 -3.28 -0.193 0.55974E+04 149 pyrophyllite -6.18 -7.73 -1.55 -0.097 0.26521E+04 154 rhodochrosite -0.98 -5.96 -4.99 -1.662 0.85135E+04 156 sanidine -1.28 -5.43 -4.16 -0.320 0.70956E+04 159 sillimanite 5.26 1.24 -4.02 -0.402 0.68669E+04 172 sulfur -9.15 -9.56 -0.41 -0.126 0.70114E+03 180 topaz-H 4.62 1.24 -3.38 -0.307 0.57699E+04 181 tridymite -2.63 -2.99 -0.36 -0.121 0.61998E+03 196 beidellite-Ca -1.65 -5.46 -3.81 -0.236 0.65093E+04 197 beidellite-H -2.33 -6.04 -3.72 -0.237 0.63493E+04 198 beidellite-K -1.52 -5.58 -4.05 -0.248 0.69238E+04 199 beidellite-Mg -1.79 -6.00 -4.21 -0.261 0.71912E+04 200 beidellite-Na -1.34 -4.86 -3.52 -0.215 0.60086E+04 202 chalcedony -2.80 -2.99 -0.19 -0.062 0.31930E+03 203 dawsonite 1.68 -1.88 -3.57 -0.446 0.60882E+04 218 gypsum -4.96 -9.81 -4.85 -1.213 0.82828E+04 237 boehmite 4.41 2.11 -2.29 -0.382 0.39135E+04 240 fluorite -9.93 -14.23 -4.30 -1.433 0.73402E+04 245 silica-amorphous -2.09 -2.99 -0.90 -0.299 0.15335E+04 247 an20ab80 2.02 -2.25 -4.27 -0.328 0.72916E+04 248 an25ab75 2.65 -2.00 -4.64 -0.357 0.79305E+04 Calculations done for 100.0000 Deg. C; 50.0000 bar Next reactant titration increment of: 0.0200000 MOLES Current total amount of reactant added: 0.7999900 MOLES New total amount of reactant added: 0.8199900 MOLES Mixing fraction reached given limit of 0.8000E+00 TOTMIX = 0.8200E+00 Execution stopped.