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. 0.13040E-04 0.10000E-06 1.0000 0.00000000E+00 H2O 2 0. 0.55508E+02 0.10000E+01 1.0000 0.00000000E+00 Cl- 3 -1. 0.13797E-03 0.10000E-03 1.0000 0.00000000E+00 SO4-- 4 -2. 0.25504E-04 0.10000E-06 1.0000 0.00000000E+00 HCO3- 5 -1. 0.13070E-04 0.10000E-05 1.0000 0.00000000E+00 HS- 6 -1. 0.10000E-15 0.10000E-16 1.0000 0.00000000E+00 Al+++ 7 3. 0.10000E-15 0.10000E-16 1.0000 0.00000000E+00 H4SiO4 8 0. 0.10000E-15 0.10000E-16 1.0000 0.00000000E+00 Ca++ 9 2. 0.14471E-04 0.10000E-06 1.0000 0.00000000E+00 Mg++ 10 2. 0.10000E-15 0.10000E-16 1.0000 0.00000000E+00 Fe++ 11 2. 0.10000E-15 0.10000E-16 1.0000 0.00000000E+00 K+ 12 1. 0.10000E-15 0.10000E-16 1.0000 0.00000000E+00 Na+ 13 1. 0.16007E-03 0.10000E-06 1.0000 0.00000000E+00 Mn++ 14 2. 0.10000E-15 0.10000E-16 1.0000 0.00000000E+00 HPO4-- 15 -2. 0.10000E-15 0.10000E-16 1.0000 0.00000000E+00 Chg. balance for total moles = 0.7000E-15 Max. difference allowed = 0.1380E-07 The following parameters were given: ERPC = 0.1000E-11 pH = 0.0000 PFLUID = 50.0000 SLIM = 0.400000E-02 TEMP = 100.0000 SINC = 0.1000E-03 TEMPC = 0.0000 TOTMIX = 0.000000E+00 ENTH = 0.0000 SENTH = 0.0000 DENTH = 0.0000 TOTWAT = 90.0000 SOLMIN = 0.0000E+00 RM = 0.0000 AQGRM = 0.0000 SUPRNT = 0.1000E-19 VBOX-1 = 1.0000 RHOFRS = 0.0000 RHOROC = 2.5000 The following options were selected: CONFLG = 1 C = 3 IFRAC = 0 IPUNCH = 1 NLOOP = 400 ISTEP = 2 LIMSOL = 1 LOOC = 0 IENTH = 0 ITREF = 0 IDEAL = 0 IPSAT = 1 INCREM = 0 INCP = 0 MINSOL = 1 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) HSiO3- 16 -1. 9.0298 MnO2-2 65 -2. 40.4638 Ca(HSiO3)+ 17 1. 7.6723 HMnO2- 66 -1. 29.1232 Mg(HSiO3)+ 18 1. 7.5773 MnO4- 67 -1. 83.3111 NaHSiO3,aq 19 0. 7.8210 MnO4-2 68 -2. 81.3005 AlO+ 20 1. 6.8663 MnCl+ 69 1. -0.7894 AlOH+2 21 2. 3.1691 MnSO4,aq 70 0. -2.4604 HAlO2,aq 22 0. 10.5671 NaCl,aq 71 0. 0.4796 AlO2- 23 -1. 16.2221 NaOH,aq 72 0. 12.3669 CH4,aq 24 0. 6.0126 O2,aq 73 0. 53.5502 C2H6,aq 25 0. 12.3733 OH- 74 -1. 12.2382 C3H8,aq 26 0. 17.3707 HO2- 75 -1. 50.8010 C4H10,aq 27 0. 22.3757 H2O2,aq 76 0. 40.0166 ethanol,aq 28 0. 15.3258 H3PO2,aq 77 0. 24.3066 CO,aq 29 0. 4.6892 H2PO2- 78 -1. 26.5366 CO2,aq 30 0. -6.3298 HPO3-2 79 -2. 11.9254 CO3-2 31 -2. 10.0588 H3PO3,aq 80 0. 3.5792 CaCO3,aq 32 0. 5.9605 H2PO3- 81 -1. 5.6232 Ca(HCO3)+ 33 1. -1.4070 H3PO4,aq 82 0. -9.8447 CaCl+ 34 1. -0.2091 H2PO4- 83 -1. -7.2659 CaCl2,aq 35 0. 0.4151 PO4-3 84 -3. 12.0884 CaOH+ 36 1. 10.1471 H4P2O7,aq 85 0. -17.8095 CaSO4,aq 37 0. -2.5018 H3P2O7- 86 -1. -15.9156 HCl,aq 38 0. 0.7370 H2P2O7-2 87 -2. -13.4262 HClO,aq 39 0. 32.4260 HP2O7-3 88 -3. -6.7266 ClO- 40 -1. 39.6530 P2O7-4 89 -4. 2.8952 HClO2,aq 41 0. 70.1812 H2S,aq 90 0. -6.4900 Fe+3 42 3. 8.3809 S2-2 91 -2. 1.2355 FeCl+ 43 1. -0.1994 S3-2 92 -2. -8.8031 FeCl2,aq 44 0. 4.3001 S3- 93 -1. -16.3389 FeCl+2 45 2. 6.5269 S4-2 94 -2. -18.6615 FeO,aq 46 0. 16.4104 S5-2 95 -2. -28.3439 FeOH+ 47 1. 7.4874 SO2,aq 96 0. -0.2309 HFeO2- 48 -1. 24.3908 SO3-2 97 -2. 10.3052 FeO+ 49 1. 11.4004 HSO3- 98 -1. 2.5086 FeOH+2 50 2. 9.1194 HSO4- 99 -1. -2.9839 FeO2- 51 -1. 24.0895 HSO5- 100 -1. 38.8366 HFeO2,aq 52 0. 15.9850 S2O3-2 101 -2. -4.5600 H2,aq 53 0. 9.4190 HS2O3- 102 -1. -6.8123 KCl,aq 54 0. 1.7417 H2S2O3,aq 103 0. -8.0173 KHSO4,aq 55 0. -0.4514 S2O4-2 104 -2. 10.5541 KOH,aq 56 0. 12.3695 HS2O4- 105 -1. 7.6551 KSO4- 57 -1. -1.1908 H2S2O4,aq 106 0. 6.6259 MgCO3,aq 58 0. 6.5614 S2O5-2 107 -2. 10.0741 Mg(HCO3)+ 59 1. -1.4164 S2O6-2 108 -2. 11.5521 MgCl+ 60 1. -0.1664 S2O8-2 109 -2. 42.0620 MgOH+ 61 1. 9.4041 S3O6-2 110 -2. 3.7866 Mn+3 62 3. 19.1453 S4O6-2 111 -2. -17.8657 MnO,aq 63 0. 17.9848 S5O6-2 112 -2. -14.1333 MnOH+ 64 1. 8.5194 113 0. 10.3111 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(2) 124 20.667 0.0000E+00 CO2,gas 2 -6.660 0.0000E+00 osumilite-Fe 125 14.390 0.0000E+00 CH4,gas 3 4.544 0.0000E+00 pargasite 126 65.092 0.0000E+00 H2,gas 4 8.000 0.0000E+00 periclase 127 16.138 0.0000E+00 H2S,gas 5 -6.230 0.0000E+00 periclase-Fe 128 11.627 0.0000E+00 S2,gas 6 -7.335 0.0000E+00 perovskite-Al 129 12.344 0.0000E+00 CO,gas 7 3.215 0.0000E+00 perovskite-Ca 130 23.807 0.0000E+00 SO3,gas 8 17.121 0.0000E+00 perovskite-Fe 131 21.143 0.0000E+00 SO2,gas 9 0.832 0.0000E+00 perovskite-Mg 132 23.119 0.0000E+00 HCl,gas 10 5.189 0.0000E+00 phase_A 133 80.189 0.0000E+00 acmite 11 7.710 0.0000E+00 phlogopite-Na 134 29.647 0.0000E+00 akermanite 12 36.442 0.0000E+00 piemontite(ordered) 135 33.776 0.0000E+00 akimotoite 13 16.591 0.0000E+00 prehnite 136 19.372 0.0000E+00 akimotoite-Fe 14 13.067 0.0000E+00 prehnite-Fe 137 22.498 0.0000E+00 albite-high 15 0.693 0.0000E+00 pumpellyite-Fe 138 46.269 0.0000E+00 albite 16 -0.384 0.0000E+00 pumpellyite-Mg 139 48.995 0.0000E+00 almandine 17 24.442 0.0000E+00 px-Mg-tschermaks 140 19.616 0.0000E+00 pyrope 18 37.248 0.0000E+00 px-Ca-tschermaks 141 18.610 0.0000E+00 spessartine 19 24.457 0.0000E+00 pyrite 142 -21.247 0.0000E+00 analcite 20 3.322 0.0000E+00 pyrrhotite 143 -4.260 0.0000E+00 andalusite 21 5.002 0.0000E+00 pyrrhotiteFe0.875 144 -6.017 0.0000E+00 andradite 22 39.009 0.0000E+00 pyroxmangite 145 7.399 0.0000E+00 grossular 23 32.731 0.0000E+00 pyrophyllite 146 -6.176 0.0000E+00 anhydrite 24 -5.317 0.0000E+00 quartz 147 -2.989 0.0000E+00 ankerite 25 -2.135 0.0000E+00 rankinite 148 40.713 0.0000E+00 annite 26 20.123 0.0000E+00 ringwoodite-Fe 149 15.456 0.0000E+00 phlogopite 27 27.065 0.0000E+00 ringwoodite-Mg 150 27.575 0.0000E+00 biotite-Mn 28 32.960 0.0000E+00 rhodochrosite 151 -0.976 0.0000E+00 anorthite 29 12.710 0.0000E+00 rhodonite 152 7.446 0.0000E+00 anthophyllite 30 51.852 0.0000E+00 sanidine 153 -1.275 0.0000E+00 anthophyllite-Fe 31 29.306 0.0000E+00 sapphirine(351) 154 78.899 0.0000E+00 apatite-OH 32 -18.153 0.0000E+00 siderite 155 -2.608 0.0000E+00 apatite-OH-zs 33 -12.736 0.0000E+00 sillimanite 156 5.262 0.0000E+00 apatite-Cl-zs 34 -16.674 0.0000E+00 sodalite 157 49.976 0.0000E+00 aragonite 35 0.967 0.0000E+00 spinel 158 20.870 0.0000E+00 brucite 36 12.569 0.0000E+00 spurrite 159 59.482 0.0000E+00 calcite 37 0.812 0.0000E+00 staurolite-Fe 160 73.598 0.0000E+00 carnegieite-low 38 9.023 0.0000E+00 staurolite-Mg 161 89.802 0.0000E+00 carnegieite-high 39 10.093 0.0000E+00 staurolite-Mn 162 83.909 0.0000E+00 carpholite-Mg 40 8.582 0.0000E+00 stilbite 163 -7.522 0.0000E+00 carpholite-Fe 41 6.713 0.0000E+00 stilpnomelane-Fe 164 13.017 0.0000E+00 celadonite 42 5.342 0.0000E+00 stilpnomelane-Mg 165 27.441 0.0000E+00 celadonite-Fe 43 3.877 0.0000E+00 stishovite 166 2.720 0.0000E+00 chrysotile 44 23.892 0.0000E+00 sudoite-Fe 167 18.296 0.0000E+00 chondrodite 45 56.475 0.0000E+00 sudoite 168 21.077 0.0000E+00 clinochlore 46 39.070 0.0000E+00 sulfur 169 -9.152 0.0000E+00 daphnite 47 28.965 0.0000E+00 sylvite 170 1.338 0.0000E+00 chlorite-Mn 48 46.869 0.0000E+00 talc 171 16.491 0.0000E+00 chlorite-Al-free 49 47.173 0.0000E+00 talc-Fe 172 13.448 0.0000E+00 chloritoid-Mg 50 13.198 0.0000E+00 talc-tschermaks 173 19.091 0.0000E+00 chloritoid-Fe 51 9.174 0.0000E+00 tephroite 174 18.086 0.0000E+00 chloritoid-Mn 52 11.401 0.0000E+00 tilleyite 175 41.377 0.0000E+00 clinohumite 53 97.128 0.0000E+00 titanite-CaSi 176 15.479 0.0000E+00 coesite 54 -2.376 0.0000E+00 topaz-H 177 4.618 0.0000E+00 cordierite-H 55 23.715 0.0000E+00 tridymite 178 -2.626 0.0000E+00 cordierite 56 24.049 0.0000E+00 tremolite 179 47.869 0.0000E+00 cordierite-Fe 57 20.450 0.0000E+00 ferroactinolite 180 38.452 0.0000E+00 cordierite-Mn 58 25.066 0.0000E+00 troilite-low 181 -4.411 0.0000E+00 corundum 59 8.383 0.0000E+00 tschermakite 182 48.210 0.0000E+00 corundum-MgSi 60 18.891 0.0000E+00 vesuvianite 183 223.471 0.0000E+00 cristobalite 61 -2.560 0.0000E+00 wadeite-Si 184 20.216 0.0000E+00 cummingtonite 62 52.099 0.0000E+00 wadsleyite-Fe 185 15.680 0.0000E+00 cymrite-K 63 1.685 0.0000E+00 wadsleyite-Mg 186 25.850 0.0000E+00 deerite 64 95.671 0.0000E+00 wairakite 187 3.950 0.0000E+00 diaspore 65 2.874 0.0000E+00 walstromite 188 11.509 0.0000E+00 diamond 66 -3.102 0.0000E+00 wollastonite 189 10.461 0.0000E+00 diopside 67 16.181 0.0000E+00 pseudo-wollastonite 190 11.000 0.0000E+00 hedenbergite 68 14.208 0.0000E+00 zoisite 191 22.849 0.0000E+00 dolomite,ordered 69 0.546 0.0000E+00 akaganeite 192 7.755 0.0000E+00 eastonite 70 28.489 0.0000E+00 beidellite-Ca 193 -1.646 0.0000E+00 enstatite 71 17.265 0.0000E+00 beidellite-H 194 -2.326 0.0000E+00 clinoenstatite-HiP 72 18.354 0.0000E+00 beidellite-K 195 -1.520 0.0000E+00 clinoenstatite 73 17.166 0.0000E+00 beidellite-Mg 196 -1.790 0.0000E+00 protoenstatite 74 17.824 0.0000E+00 beidellite-Na 197 -1.342 0.0000E+00 epidote 75 24.670 0.0000E+00 calcium 198 84.026 0.0000E+00 clinozoisite 76 22.806 0.0000E+00 chalcedony 199 -2.802 0.0000E+00 epidote-Fe 77 29.841 0.0000E+00 dawsonite 200 1.682 0.0000E+00 fayalite 78 14.046 0.0000E+00 montmorillonite-Ca 201 -2.291 0.0000E+00 ferrosilite 79 11.149 0.0000E+00 montmorillonite-K 202 -2.237 0.0000E+00 forsterite 80 21.016 0.0000E+00 montmorillonite-Mg 203 -2.480 0.0000E+00 gedrite 81 50.522 0.0000E+00 montmorillonite-Na 204 -2.038 0.0000E+00 gehlenite 82 36.628 0.0000E+00 nontronite-Ca 205 3.215 0.0000E+00 gibbsite 83 4.079 0.0000E+00 nontronite-H 206 2.533 0.0000E+00 glaucophane 84 22.975 0.0000E+00 nontronite-K 207 3.341 0.0000E+00 glaucophane-Fe 85 17.276 0.0000E+00 nontronite-Mg 208 3.075 0.0000E+00 graphite 86 -3.546 0.0000E+00 nontronite-Na 209 3.520 0.0000E+00 greenalite 87 16.140 0.0000E+00 sepiolite 210 24.118 0.0000E+00 grunerite 88 31.215 0.0000E+00 alite 211 57.999 0.0000E+00 halite 89 1.575 0.0000E+00 belite 212 30.433 0.0000E+00 hematite 90 12.566 0.0000E+00 ettringite 213 43.232 0.0000E+00 heulandite 91 -5.827 0.0000E+00 gypsum 214 -4.955 0.0000E+00 hercynite 92 17.279 0.0000E+00 hemicarboaluminate 215 70.954 0.0000E+00 hollandite 93 25.673 0.0000E+00 hydrogarnet 216 60.662 0.0000E+00 iron 94 19.086 0.0000E+00 hydrogarnet-Si 217 50.586 0.0000E+00 jadeite 95 4.215 0.0000E+00 jennite 218 24.367 0.0000E+00 julgoldite 96 70.427 0.0000E+00 monosulfoaluminate 219 53.400 0.0000E+00 kalsilite 97 7.584 0.0000E+00 monocarboaluminate 220 61.898 0.0000E+00 kaolinite 98 -1.333 0.0000E+00 portlandite 221 18.272 0.0000E+00 kyanite 99 4.876 0.0000E+00 stratlingite 222 36.502 0.0000E+00 larnite-bredigite 100 30.686 0.0000E+00 tricarboaluminate 223 70.370 0.0000E+00 laumontite 101 2.883 0.0000E+00 tobermorite 224 9.823 0.0000E+00 lawsonite 102 9.616 0.0000E+00 C4AH13 225 81.816 0.0000E+00 leucite 103 4.119 0.0000E+00 C2AH8 226 45.203 0.0000E+00 lime 104 25.998 0.0000E+00 C3A 227 86.953 0.0000E+00 lizardite 105 23.244 0.0000E+00 C4AF 228 117.416 0.0000E+00 magnesite 106 0.691 0.0000E+00 CAH10 229 28.335 0.0000E+00 magnetite 107 20.087 0.0000E+00 alabandite 230 -0.978 0.0000E+00 minnesotaite 108 10.388 0.0000E+00 alunite 231 -10.435 0.0000E+00 minnesotaite-Mg 109 20.602 0.0000E+00 artinite 232 15.121 0.0000E+00 magnesioferrite 110 26.212 0.0000E+00 boehmite 233 4.406 0.0000E+00 majorite 111 53.251 0.0000E+00 dolomite,disordered 234 1.247 0.0000E+00 manganosite 112 14.058 0.0000E+00 ferrous-oxide 235 9.812 0.0000E+00 margarite 113 17.324 0.0000E+00 huntite 236 3.770 0.0000E+00 meionite 114 44.874 0.0000E+00 hydromagnesite 237 19.995 0.0000E+00 merwinite 115 55.930 0.0000E+00 nesquehonite 238 4.723 0.0000E+00 microcline 116 -2.486 0.0000E+00 potassium-oxide 239 69.038 0.0000E+00 monticellite 117 24.339 0.0000E+00 silica-amorphous 240 -2.091 0.0000E+00 mullite-Al 118 363.148 0.0000E+00 sodium-oxide 241 55.169 0.0000E+00 mullite-Si 119 7.264 0.0000E+00 an20ab80 242 2.018 0.0000E+00 muscovite 120 2.582 0.0000E+00 an25ab75 243 2.646 0.0000E+00 paragonite 121 4.239 0.0000E+00 an30ab70 244 3.279 0.0000E+00 nepheline 122 8.339 0.0000E+00 tr.625ac.25prg.125 245 45.165 0.0000E+00 osumilite(1) 123 21.717 0.0000E+00 246 0.000 0.0000E+00 Initial composition of reactant (wt%): SiO2 62.56 MgO 3.200 Al2O3 16.62 CaO 6.450 FeO 3.530 Na2O 3.890 Fe2O3 1.770 K2O 1.000 MnO 0.1230 P2O5 0.4200E-01 Sum of wt% of reactants: 99.1850 Reactant consumed: 0.0000000 g log =-100.0000 Original solution: 0.0000000 g Original solution / Rock added: 0.00 (Water/Rock Ratio), log = 0.0000 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 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 greenalite 18 iron 9 lizardite 18 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 = 20 Loop limit = 400 Temperature = 100.00 C Pressure = 50.00 bar Mixer fraction = 0.0000000 Water: Moles liquid = 0.5551E+02 kg liquid = 0.1000E+01 Moles total = 0.5551E+02 kg total = 0.1000E+01 Activity = 1.0000 Stoichiometric ionic strength = .2355087E-03 Osmotic coef. = 0.9908 True ionic strength = .2309675E-03 Chg. balance for total moles = 0.7000E-15 Max. difference allowed = 0.1380E-07 Log Log Log Species(n) Molality Molality Activity Activity Gamma Gamma 1 H+ 0.24267E-05 -5.6150 0.23356E-05 -5.6316 0.96248E+00 -0.0166 2 H2O 0.10000E+01 0.0000 0.10000E+01 0.0000 3 Cl- 0.13796E-03 -3.8602 0.13277E-03 -3.8769 0.96238E+00 -0.0167 4 SO4-- 0.25356E-04 -4.5959 0.22953E-04 -4.6392 0.90523E+00 -0.0432 5 HCO3- 0.22520E-05 -5.6474 0.21673E-05 -5.6641 0.96241E+00 -0.0166 6 HS- 0.68099E-34 -34.1669 0.65538E-34 -34.1835 0.96239E+00 -0.0167 7 Al+++ 0.28817E-22 -22.5403 0.23548E-22 -22.6281 0.81714E+00 -0.0877 8 H4SiO4 0.99958E-16 -16.0002 0.99958E-16 -16.0002 0.10000E+01 0.0000 9 Ca++ 0.14372E-04 -4.8425 0.13008E-04 -4.8858 0.90511E+00 -0.0433 10 Mg++ 0.99960E-16 -16.0002 0.90469E-16 -16.0435 0.90504E+00 -0.0433 11 Fe++ 0.96929E-16 -16.0135 0.87727E-16 -16.0569 0.90506E+00 -0.0433 12 K+ 0.99964E-16 -16.0002 0.96207E-16 -16.0168 0.96241E+00 -0.0166 13 Na+ 0.16006E-03 -3.7957 0.15404E-03 -3.8124 0.96238E+00 -0.0167 14 Mn++ 0.99208E-16 -16.0035 0.89790E-16 -16.0468 0.90507E+00 -0.0433 15 HPO4-- 0.24061E-17 -17.6187 0.21781E-17 -17.6619 0.90523E+00 -0.0432 16 HSiO3- 0.41523E-19 -19.3817 0.39961E-19 -19.3984 0.96238E+00 -0.0167 20 AlO+ 0.61017E-18 -18.2145 0.58724E-18 -18.2312 0.96242E+00 -0.0166 22 HAlO2,aq 0.50071E-16 -16.3004 0.50071E-16 -16.3004 0.10000E+01 0.0000 23 AlO2- 0.49311E-16 -16.3071 0.47455E-16 -16.3237 0.96235E+00 -0.0167 30 CO2,aq 0.10817E-04 -4.9659 0.10816E-04 -4.9659 0.99993E+00 0.0000 31 CO3-2 0.89540E-10 -10.0480 0.81051E-10 -10.0912 0.90519E+00 -0.0433 32 CaCO3,aq 0.13220E-10 -10.8788 0.13220E-10 -10.8788 0.10000E+01 0.0000 33 Ca(HCO3)+ 0.74777E-09 -9.1262 0.71966E-09 -9.1429 0.96242E+00 -0.0166 34 CaCl+ 0.29043E-08 -8.5370 0.27951E-08 -8.5536 0.96242E+00 -0.0166 35 CaCl2,aq 0.88171E-13 -13.0547 0.88171E-13 -13.0547 0.10000E+01 0.0000 36 CaOH+ 0.41244E-09 -9.3846 0.39694E-09 -9.4013 0.96242E+00 -0.0166 37 CaSO4,aq 0.94814E-07 -7.0231 0.94814E-07 -7.0231 0.10000E+01 0.0000 38 HCl,aq 0.56827E-10 -10.2454 0.56827E-10 -10.2454 0.10000E+01 0.0000 43 FeCl+ 0.19157E-19 -19.7177 0.18437E-19 -19.7343 0.96242E+00 -0.0166 47 FeOH+ 0.12704E-17 -17.8961 0.12226E-17 -17.9127 0.96242E+00 -0.0166 49 FeO+ 0.15138E-18 -18.8199 0.14569E-18 -18.8366 0.96242E+00 -0.0166 52 HFeO2,aq 0.16233E-17 -17.7896 0.16233E-17 -17.7896 0.10000E+01 0.0000 53 H2,aq 0.40071E-15 -15.3972 0.40068E-15 -15.3972 0.99993E+00 0.0000 57 KSO4- 0.35606E-19 -19.4485 0.34266E-19 -19.4651 0.96238E+00 -0.0167 60 MgCl+ 0.18307E-19 -19.7374 0.17618E-19 -19.7540 0.96242E+00 -0.0166 61 MgOH+ 0.15872E-19 -19.7994 0.15276E-19 -19.8160 0.96242E+00 -0.0166 64 MnOH+ 0.12079E-18 -18.9180 0.11625E-18 -18.9346 0.96242E+00 -0.0166 69 MnCl+ 0.76281E-19 -19.1176 0.73414E-19 -19.1342 0.96242E+00 -0.0166 70 MnSO4,aq 0.59498E-18 -18.2255 0.59498E-18 -18.2255 0.10000E+01 0.0000 71 NaCl,aq 0.67782E-08 -8.1689 0.67782E-08 -8.1689 0.10000E+01 0.0000 72 NaOH,aq 0.28337E-10 -10.5476 0.28337E-10 -10.5476 0.10000E+01 0.0000 74 OH- 0.25705E-06 -6.5900 0.24737E-06 -6.6066 0.96235E+00 -0.0167 82 H3PO4,aq 0.83100E-19 -19.0804 0.83100E-19 -19.0804 0.10000E+01 0.0000 83 H2PO4- 0.97511E-16 -16.0109 0.93844E-16 -16.0276 0.96240E+00 -0.0166 98 HSO3- 0.18160E-18 -18.7409 0.17477E-18 -18.7575 0.96238E+00 -0.0167 99 HSO4- 0.53681E-07 -7.2702 0.51664E-07 -7.2868 0.96243E+00 -0.0166 Charge balance for all species = 0.7000E-15 Solid products produced: Mass = 0.000000 g Volume = 0.000000 cm3 Porosity: 100.0000% V(tot) - V(min): 0.10000E+01 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: 0.0000000 g log =-100.0000 Original solution: 0.0000000 g Original solution / Rock added: 0.00 (Water/Rock Ratio), log = 0.0000 Gas composition at saturation ( 2 iterations) ------------------------------------------------- Temperature: 100.0000 deg.C Sat. pressure: 1.0215 bar Gas Mole fraction phi Fugacity Partial P(bar) H2O,gas 0.9989E+00 0.9859 0.1006E+01 0.1020E+01 CO2,gas 0.1125E-02 1.0071 0.1157E-02 0.1149E-02 CH4,gas 0.8555E-38 1.0125 0.8848E-38 0.8739E-38 H2,gas 0.5147E-12 1.0005 0.5260E-12 0.5258E-12 H2S,gas 0.1278E-31 0.9960 0.1300E-31 0.1306E-31 S2,gas 0.2246E-58 1.0000 0.2294E-58 0.2294E-58 CO,gas 0.1588E-18 1.0000 0.1622E-18 0.1622E-18 SO3,gas 0.4635E-31 1.0000 0.4734E-31 0.4734E-31 SO2,gas 0.9486E-21 1.0000 0.9689E-21 0.9689E-21 HCl,gas 0.9817E-13 1.0000 0.1003E-12 0.1003E-12 NON-Ideal mixing with H2O, CO2, CH4 Gases ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ 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 -1.696 0.28965E+04 0.003 2 CO2,gas -6.66 -11.30 -4.64 -1.545 0.79151E+04 -2.937 3 CH4,gas 4.54 -35.21 -39.75 -9.938 0.67876E+05 -38.053 4 H2,gas 8.00 -5.98 -13.98 -7.987 0.23867E+05 -12.279 5 H2S,gas -6.23 -39.82 -33.58 -16.792 0.57345E+05 -31.886 6 S2,gas -7.34 -67.67 -60.34 -9.283 0.10303E+06 -58.639 7 CO,gas 3.21 -17.27 -20.49 -6.304 0.34984E+05 -18.790 8 SO3,gas 17.12 -15.90 -33.02 -8.256 0.56387E+05 -31.325 9 SO2,gas 0.83 -21.88 -22.71 -6.057 0.38781E+05 -21.014 10 HCl,gas 5.19 -9.51 -14.70 -7.349 0.25096E+05 -12.999 24 anhydrite -5.32 -9.52 -4.21 -2.104 0.71853E+04 214 gypsum -4.96 -9.52 -4.57 -1.142 0.78029E+04 Calculations done for 100.0000 Deg. C; 50.0000 bar Next reactant titration increment of: 0.0001000 g Current total amount of reactant added: 0.0000000 g New total amount of reactant added: 0.0001000 g Solids and gases carried Charge balance check after fractionation or titration: TBAL = 0.7000E-15 ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ 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 = 21 Loop limit = 400 Temperature = 100.00 C Pressure = 50.00 bar Mixer fraction = 0.0001000 Water: Moles liquid = 0.5551E+02 kg liquid = 0.1000E+01 Moles total = 0.5551E+02 kg total = 0.1000E+01 Activity = 1.0000 Stoichiometric ionic strength = .2375895E-03 Osmotic coef. = 0.9907 True ionic strength = .2316163E-03 Chg. balance for total moles = 0.7000E-15 Max. difference allowed = 0.1380E-07 Log Log Log Species(n) Molality Molality Activity Activity Gamma Gamma 1 H+ 0.21891E-05 -5.6597 0.21069E-05 -5.6763 0.96246E+00 -0.0166 2 H2O 0.10000E+01 0.0000 0.10000E+01 0.0000 3 Cl- 0.13796E-03 -3.8602 0.13277E-03 -3.8769 0.96236E+00 -0.0167 4 SO4-- 0.25360E-04 -4.5958 0.22954E-04 -4.6391 0.90513E+00 -0.0433 5 HCO3- 0.24506E-05 -5.6107 0.23584E-05 -5.6274 0.96238E+00 -0.0167 6 HS- 0.20069E-44 -44.6975 0.19314E-44 -44.7141 0.96236E+00 -0.0167 7 Al+++ 0.65527E-13 -13.1836 0.53531E-13 -13.2714 0.81694E+00 -0.0878 8 H4SiO4 0.10408E-05 -5.9826 0.10408E-05 -5.9826 0.10000E+01 0.0000 9 Ca++ 0.14486E-04 -4.8390 0.13110E-04 -4.8824 0.90501E+00 -0.0433 10 Mg++ 0.79332E-07 -7.1006 0.71791E-07 -7.1439 0.90494E+00 -0.0434 11 Fe++ 0.48417E-07 -7.3150 0.43815E-07 -7.3584 0.90496E+00 -0.0434 12 K+ 0.21224E-07 -7.6732 0.20425E-07 -7.6898 0.96239E+00 -0.0167 13 Na+ 0.16019E-03 -3.7954 0.15416E-03 -3.8120 0.96235E+00 -0.0167 14 Mn++ 0.17199E-08 -8.7645 0.15565E-08 -8.8079 0.90497E+00 -0.0434 15 HPO4-- 0.15745E-10 -10.8029 0.14251E-10 -10.8461 0.90513E+00 -0.0433 16 HSiO3- 0.47930E-09 -9.3194 0.46125E-09 -9.3361 0.96236E+00 -0.0167 17 Ca(HSiO3)+ 0.14310E-12 -12.8444 0.13772E-12 -12.8610 0.96239E+00 -0.0166 18 Mg(HSiO3)+ 0.97520E-15 -15.0109 0.93852E-15 -15.0276 0.96239E+00 -0.0166 19 NaHSiO3,aq 0.11501E-11 -11.9393 0.11501E-11 -11.9393 0.10000E+01 0.0000 20 AlO+ 0.17046E-08 -8.7684 0.16405E-08 -8.7850 0.96239E+00 -0.0166 21 AlOH+2 0.19018E-10 -10.7208 0.17211E-10 -10.7642 0.90499E+00 -0.0434 22 HAlO2,aq 0.15506E-06 -6.8095 0.15506E-06 -6.8095 0.10000E+01 0.0000 23 AlO2- 0.16929E-06 -6.7714 0.16291E-06 -6.7881 0.96233E+00 -0.0167 30 CO2,aq 0.10618E-04 -4.9739 0.10618E-04 -4.9740 0.99993E+00 0.0000 31 CO3-2 0.10802E-09 -9.9665 0.97771E-10 -10.0098 0.90509E+00 -0.0433 32 CaCO3,aq 0.16072E-10 -10.7939 0.16072E-10 -10.7939 0.10000E+01 0.0000 33 Ca(HCO3)+ 0.82010E-09 -9.0861 0.78925E-09 -9.1028 0.96239E+00 -0.0166 34 CaCl+ 0.29270E-08 -8.5336 0.28169E-08 -8.5502 0.96239E+00 -0.0166 35 CaCl2,aq 0.88856E-13 -13.0513 0.88856E-13 -13.0513 0.10000E+01 0.0000 36 CaOH+ 0.46080E-09 -9.3365 0.44347E-09 -9.3531 0.96239E+00 -0.0166 37 CaSO4,aq 0.95562E-07 -7.0197 0.95562E-07 -7.0197 0.10000E+01 0.0000 38 HCl,aq 0.51261E-10 -10.2902 0.51261E-10 -10.2902 0.10000E+01 0.0000 42 Fe+3 0.93755E-17 -17.0280 0.76596E-17 -17.1158 0.81698E+00 -0.0878 43 FeCl+ 0.95678E-11 -11.0192 0.92080E-11 -11.0358 0.96239E+00 -0.0166 44 FeCl2,aq 0.38706E-19 -19.4122 0.38706E-19 -19.4122 0.10000E+01 0.0000 45 FeCl+2 0.80291E-19 -19.0953 0.72662E-19 -19.1387 0.90499E+00 -0.0434 46 FeO,aq 0.38361E-12 -12.4161 0.38361E-12 -12.4161 0.10000E+01 0.0000 47 FeOH+ 0.70338E-09 -9.1528 0.67692E-09 -9.1695 0.96239E+00 -0.0166 48 HFeO2- 0.19795E-14 -14.7034 0.19050E-14 -14.7201 0.96236E+00 -0.0167 49 FeO+ 0.17142E-08 -8.7659 0.16497E-08 -8.7826 0.96239E+00 -0.0166 50 FeOH+2 0.73347E-12 -12.1346 0.66378E-12 -12.1780 0.90499E+00 -0.0434 51 FeO2- 0.79016E-10 -10.1023 0.76041E-10 -10.1190 0.96236E+00 -0.0167 52 HFeO2,aq 0.20377E-07 -7.6909 0.20377E-07 -7.6909 0.10000E+01 0.0000 53 H2,aq 0.95797E-18 -18.0186 0.95790E-18 -18.0187 0.99993E+00 0.0000 54 KCl,aq 0.49151E-13 -13.3085 0.49151E-13 -13.3085 0.10000E+01 0.0000 55 KHSO4,aq 0.27930E-17 -17.5539 0.27930E-17 -17.5539 0.10000E+01 0.0000 56 KOH,aq 0.41401E-14 -14.3830 0.41401E-14 -14.3830 0.10000E+01 0.0000 57 KSO4- 0.75601E-11 -11.1215 0.72755E-11 -11.1381 0.96236E+00 -0.0167 58 MgCO3,aq 0.22061E-13 -13.6564 0.22061E-13 -13.6564 0.10000E+01 0.0000 59 Mg(HCO3)+ 0.45887E-11 -11.3383 0.44162E-11 -11.3550 0.96239E+00 -0.0166 60 MgCl+ 0.14527E-10 -10.8378 0.13981E-10 -10.8545 0.96239E+00 -0.0166 61 MgOH+ 0.13963E-10 -10.8550 0.13438E-10 -10.8717 0.96239E+00 -0.0166 63 MnO,aq 0.36310E-15 -15.4400 0.36310E-15 -15.4400 0.10000E+01 0.0000 64 MnOH+ 0.23211E-11 -11.6343 0.22338E-11 -11.6509 0.96239E+00 -0.0166 69 MnCl+ 0.13223E-11 -11.8787 0.12726E-11 -11.8953 0.96239E+00 -0.0166 70 MnSO4,aq 0.10314E-10 -10.9866 0.10314E-10 -10.9866 0.10000E+01 0.0000 71 NaCl,aq 0.67831E-08 -8.1686 0.67831E-08 -8.1686 0.10000E+01 0.0000 72 NaOH,aq 0.31436E-10 -10.5026 0.31436E-10 -10.5026 0.10000E+01 0.0000 74 OH- 0.28496E-06 -6.5452 0.27422E-06 -6.5619 0.96233E+00 -0.0167 82 H3PO4,aq 0.44247E-12 -12.3541 0.44247E-12 -12.3541 0.10000E+01 0.0000 83 H2PO4- 0.57557E-09 -9.2399 0.55391E-09 -9.2566 0.96237E+00 -0.0167 84 PO4-3 0.67496E-17 -17.1707 0.55187E-17 -17.2582 0.81763E+00 -0.0874 87 H2P2O7-2 0.26580E-19 -19.5754 0.24058E-19 -19.6187 0.90509E+00 -0.0433 99 HSO4- 0.48429E-07 -7.3149 0.46609E-07 -7.3315 0.96240E+00 -0.0166 Charge balance for all species = 0.7000E-15 Solid products produced: Mass = 0.000000 g Volume = 0.000000 cm3 Porosity: 100.0000% V(tot) - V(min): 0.10000E+01 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: 0.0001000 g log = -4.0000 Original solution: 0.0000000 g Original solution / Rock added: 0.00 (Water/Rock Ratio), log = 0.0000 Gas composition at saturation ( 2 iterations) ------------------------------------------------- Temperature: 100.0000 deg.C Sat. pressure: 1.0214 bar Gas Mole fraction phi Fugacity Partial P(bar) H2O,gas 0.9989E+00 0.9859 0.1006E+01 0.1020E+01 CO2,gas 0.1104E-02 1.0071 0.1136E-02 0.1128E-02 CH4,gas 0.2743E-48 1.0125 0.2837E-48 0.2802E-48 H2,gas 0.1231E-14 1.0005 0.1258E-14 0.1257E-14 H2S,gas 0.3398E-42 0.9960 0.3457E-42 0.3471E-42 S2,gas 0.2777E-74 1.0000 0.2837E-74 0.2837E-74 CO,gas 0.3727E-21 1.0000 0.3807E-21 0.3807E-21 SO3,gas 0.3772E-31 1.0000 0.3853E-31 0.3853E-31 SO2,gas 0.1846E-23 1.0000 0.1885E-23 0.1885E-23 HCl,gas 0.8855E-13 1.0000 0.9045E-13 0.9045E-13 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 90 hematite 12.57 16.59 4.02 0.488 -0.68677E+04 The following gases and minerals are presently EXCLUDED from matrix (Gases and minerals with log(Q/K) less than -5 are not listed below) Gas or Mineral Log K Log Q Log(Q/K) Log(Q/K)/S Affinity Log Fugacity 1 H2O,gas 1.70 0.00 -1.70 -1.696 0.28965E+04 0.003 2 CO2,gas -6.66 -11.30 -4.64 -1.548 0.79288E+04 -2.945 3 CH4,gas 4.54 -45.70 -50.25 -12.562 0.85794E+05 -48.547 4 H2,gas 8.00 -8.60 -16.60 -9.485 0.28343E+05 -14.900 5 H2S,gas -6.23 -50.39 -44.16 -22.080 0.75402E+05 -42.461 6 S2,gas -7.34 -83.58 -76.25 -11.730 0.13019E+06 -74.547 7 CO,gas 3.21 -19.90 -23.12 -7.113 0.39474E+05 -21.419 8 SO3,gas 17.12 -15.99 -33.11 -8.278 0.56540E+05 -31.414 9 SO2,gas 0.83 -24.59 -25.42 -6.780 0.43410E+05 -23.725 10 HCl,gas 5.19 -9.55 -14.74 -7.371 0.25173E+05 -13.044 21 andalusite 5.00 1.53 -3.47 -0.347 0.59230E+04 24 anhydrite -5.32 -9.52 -4.20 -2.102 0.71794E+04 51 chloritoid-Fe 9.17 5.53 -3.65 -0.243 0.62265E+04 54 coesite -2.38 -5.98 -3.61 -1.202 0.61581E+04 59 corundum 8.38 7.52 -0.87 -0.079 0.14818E+04 61 cristobalite -2.56 -5.98 -3.42 -1.141 0.58435E+04 65 diaspore 2.87 3.76 0.88 0.147 -0.15093E+04 83 gibbsite 4.08 3.76 -0.32 -0.046 0.54922E+03 98 kaolinite -1.33 -4.45 -3.12 -0.283 0.53225E+04 99 kyanite 4.88 1.53 -3.34 -0.334 0.57089E+04 107 magnetite 20.09 20.58 0.50 0.040 -0.84560E+03 129 perovskite-Al 12.34 7.52 -4.83 -0.439 0.82456E+04 147 quartz -2.99 -5.98 -2.99 -0.998 0.51108E+04 155 siderite -2.61 -7.31 -4.70 -1.567 0.80273E+04 156 sillimanite 5.26 1.53 -3.73 -0.373 0.63669E+04 177 topaz-H 4.62 1.53 -3.09 -0.281 0.52689E+04 178 tridymite -2.63 -5.98 -3.36 -1.119 0.57308E+04 192 akaganeite 7.75 8.29 0.54 0.117 -0.92130E+03 199 chalcedony -2.80 -5.98 -3.18 -1.060 0.54301E+04 214 gypsum -4.96 -9.52 -4.57 -1.142 0.77970E+04 233 boehmite 4.41 3.76 -0.65 -0.108 0.11076E+04 240 silica-amorphous -2.09 -5.98 -3.89 -1.297 0.66443E+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 = 19 Loop limit = 400 Temperature = 100.00 C Pressure = 50.00 bar Mixer fraction = 0.0001000 Water: Moles liquid = 0.5551E+02 kg liquid = 0.1000E+01 Moles total = 0.5551E+02 kg total = 0.1000E+01 Activity = 1.0000 Stoichiometric ionic strength = .2375415E-03 Osmotic coef. = 0.9907 True ionic strength = .2316154E-03 Chg. balance for total moles = 0.7000E-15 Max. difference allowed = 0.1380E-07 Log Log Log Species(n) Molality Molality Activity Activity Gamma Gamma 1 H+ 0.21899E-05 -5.6596 0.21077E-05 -5.6762 0.96246E+00 -0.0166 2 H2O 0.10000E+01 0.0000 0.10000E+01 0.0000 3 Cl- 0.13796E-03 -3.8602 0.13277E-03 -3.8769 0.96236E+00 -0.0167 4 SO4-- 0.25360E-04 -4.5958 0.22954E-04 -4.6391 0.90513E+00 -0.0433 5 HCO3- 0.24499E-05 -5.6109 0.23577E-05 -5.6275 0.96238E+00 -0.0167 6 HS- 0.24476E-28 -28.6113 0.23555E-28 -28.6279 0.96236E+00 -0.0167 7 Al+++ 0.65608E-13 -13.1830 0.53598E-13 -13.2709 0.81694E+00 -0.0878 8 H4SiO4 0.10408E-05 -5.9826 0.10408E-05 -5.9826 0.10000E+01 0.0000 9 Ca++ 0.14486E-04 -4.8390 0.13110E-04 -4.8824 0.90501E+00 -0.0433 10 Mg++ 0.79332E-07 -7.1006 0.71791E-07 -7.1439 0.90494E+00 -0.0434 11 Fe++ 0.48417E-07 -7.3150 0.43815E-07 -7.3584 0.90496E+00 -0.0434 12 K+ 0.21224E-07 -7.6732 0.20425E-07 -7.6898 0.96239E+00 -0.0167 13 Na+ 0.16019E-03 -3.7954 0.15416E-03 -3.8120 0.96235E+00 -0.0167 14 Mn++ 0.17199E-08 -8.7645 0.15565E-08 -8.8079 0.90497E+00 -0.0434 15 HPO4-- 0.15740E-10 -10.8030 0.14246E-10 -10.8463 0.90513E+00 -0.0433 16 HSiO3- 0.47913E-09 -9.3195 0.46109E-09 -9.3362 0.96236E+00 -0.0167 17 Ca(HSiO3)+ 0.14305E-12 -12.8445 0.13767E-12 -12.8612 0.96239E+00 -0.0166 18 Mg(HSiO3)+ 0.97486E-15 -15.0111 0.93819E-15 -15.0277 0.96239E+00 -0.0166 19 NaHSiO3,aq 0.11496E-11 -11.9394 0.11496E-11 -11.9394 0.10000E+01 0.0000 20 AlO+ 0.17055E-08 -8.7681 0.16414E-08 -8.7848 0.96239E+00 -0.0166 21 AlOH+2 0.19035E-10 -10.7204 0.17226E-10 -10.7638 0.90499E+00 -0.0434 22 HAlO2,aq 0.15509E-06 -6.8094 0.15509E-06 -6.8094 0.10000E+01 0.0000 23 AlO2- 0.16926E-06 -6.7714 0.16288E-06 -6.7881 0.96233E+00 -0.0167 30 CO2,aq 0.10619E-04 -4.9739 0.10618E-04 -4.9739 0.99993E+00 0.0000 31 CO3-2 0.10795E-09 -9.9668 0.97709E-10 -10.0101 0.90509E+00 -0.0433 32 CaCO3,aq 0.16062E-10 -10.7942 0.16062E-10 -10.7942 0.10000E+01 0.0000 33 Ca(HCO3)+ 0.81986E-09 -9.0863 0.78903E-09 -9.1029 0.96239E+00 -0.0166 34 CaCl+ 0.29270E-08 -8.5336 0.28169E-08 -8.5502 0.96239E+00 -0.0166 35 CaCl2,aq 0.88856E-13 -13.0513 0.88856E-13 -13.0513 0.10000E+01 0.0000 36 CaOH+ 0.46064E-09 -9.3366 0.44331E-09 -9.3533 0.96239E+00 -0.0166 37 CaSO4,aq 0.95562E-07 -7.0197 0.95562E-07 -7.0197 0.10000E+01 0.0000 38 HCl,aq 0.51279E-10 -10.2901 0.51279E-10 -10.2901 0.10000E+01 0.0000 42 Fe+3 0.91493E-19 -19.0386 0.74748E-19 -19.1264 0.81698E+00 -0.0878 43 FeCl+ 0.95679E-11 -11.0192 0.92080E-11 -11.0358 0.96239E+00 -0.0166 44 FeCl2,aq 0.38706E-19 -19.4122 0.38706E-19 -19.4122 0.10000E+01 0.0000 46 FeO,aq 0.38334E-12 -12.4164 0.38334E-12 -12.4164 0.10000E+01 0.0000 47 FeOH+ 0.70313E-09 -9.1530 0.67669E-09 -9.1696 0.96239E+00 -0.0166 48 HFeO2- 0.19774E-14 -14.7039 0.19030E-14 -14.7206 0.96236E+00 -0.0167 49 FeO+ 0.16716E-10 -10.7769 0.16088E-10 -10.7935 0.96239E+00 -0.0166 50 FeOH+2 0.71552E-14 -14.1454 0.64754E-14 -14.1887 0.90499E+00 -0.0434 51 FeO2- 0.77001E-12 -12.1135 0.74103E-12 -12.1302 0.96236E+00 -0.0167 52 HFeO2,aq 0.19864E-09 -9.7019 0.19864E-09 -9.7019 0.10000E+01 0.0000 53 H2,aq 0.10066E-13 -13.9971 0.10066E-13 -13.9972 0.99993E+00 0.0000 54 KCl,aq 0.49151E-13 -13.3085 0.49151E-13 -13.3085 0.10000E+01 0.0000 55 KHSO4,aq 0.27940E-17 -17.5538 0.27940E-17 -17.5538 0.10000E+01 0.0000 56 KOH,aq 0.41386E-14 -14.3831 0.41386E-14 -14.3831 0.10000E+01 0.0000 57 KSO4- 0.75601E-11 -11.1215 0.72755E-11 -11.1381 0.96236E+00 -0.0167 58 MgCO3,aq 0.22047E-13 -13.6567 0.22047E-13 -13.6567 0.10000E+01 0.0000 59 Mg(HCO3)+ 0.45874E-11 -11.3384 0.44149E-11 -11.3551 0.96239E+00 -0.0166 60 MgCl+ 0.14527E-10 -10.8378 0.13981E-10 -10.8545 0.96239E+00 -0.0166 61 MgOH+ 0.13958E-10 -10.8552 0.13433E-10 -10.8718 0.96239E+00 -0.0166 63 MnO,aq 0.36285E-15 -15.4403 0.36285E-15 -15.4403 0.10000E+01 0.0000 64 MnOH+ 0.23203E-11 -11.6345 0.22331E-11 -11.6511 0.96239E+00 -0.0166 69 MnCl+ 0.13223E-11 -11.8787 0.12726E-11 -11.8953 0.96239E+00 -0.0166 70 MnSO4,aq 0.10314E-10 -10.9866 0.10314E-10 -10.9866 0.10000E+01 0.0000 71 NaCl,aq 0.67831E-08 -8.1686 0.67831E-08 -8.1686 0.10000E+01 0.0000 72 NaOH,aq 0.31425E-10 -10.5027 0.31425E-10 -10.5027 0.10000E+01 0.0000 74 OH- 0.28486E-06 -6.5454 0.27413E-06 -6.5620 0.96233E+00 -0.0167 82 H3PO4,aq 0.44263E-12 -12.3540 0.44263E-12 -12.3540 0.10000E+01 0.0000 83 H2PO4- 0.57558E-09 -9.2399 0.55392E-09 -9.2566 0.96237E+00 -0.0167 84 PO4-3 0.67449E-17 -17.1710 0.55149E-17 -17.2585 0.81763E+00 -0.0874 87 H2P2O7-2 0.26581E-19 -19.5754 0.24058E-19 -19.6187 0.90509E+00 -0.0433 97 SO3-2 0.33165E-19 -19.4793 0.30025E-19 -19.5225 0.90532E+00 -0.0432 98 HSO3- 0.41172E-17 -17.3854 0.39623E-17 -17.4021 0.96236E+00 -0.0167 99 HSO4- 0.48447E-07 -7.3147 0.46625E-07 -7.3314 0.96240E+00 -0.0166 Charge balance for all species = 0.7000E-15 Component Molality Aq.molality ppm log[A(N)/A(H+)**Z] (total) 1 H+ 0.2189895E-05 0.1142531E-04 0.1151591E-01 0.0000 2 H2O 0.1000000E+01 0.5550824E+02 0.9999875E+06 0.0000 3 Cl- 0.1379644E-03 0.1379742E-03 0.4891548E+01 1.7993 4 SO4-- 0.2536044E-04 0.2550449E-04 0.2449978E+01 6.7133 5 HCO3- 0.2449904E-05 0.1307000E-04 0.7974866E+00 0.0487 6 HS- 0.2447646E-28 -.2701456E-10 -.8934165E-06 -22.9517 7 Al+++ 0.6560804E-13 0.3260741E-06 0.8797879E-02 3.7577 8 H4SiO4 0.1040798E-05 0.1041278E-05 0.1000819E+00 -5.9826 9 Ca++ 0.1448629E-04 0.1458607E-04 0.5845747E+00 6.4700 10 Mg++ 0.7933197E-07 0.7936507E-07 0.1929504E-02 4.2085 11 Fe++ 0.4841702E-07 0.4934624E-07 0.2755812E-02 3.9940 12 K+ 0.2122381E-07 0.2123142E-07 0.8301825E-03 -2.0136 13 Na+ 0.1601897E-03 0.1601965E-03 0.3682848E+01 1.8642 14 Mn++ 0.1719902E-08 0.1733859E-08 0.9525380E-04 2.5445 15 HPO4-- 0.1573975E-10 0.5917577E-09 0.5679573E-04 0.5061 Component Tot moles Aq. moles Solid moles Gas moles 1 H+ 0.1138415E-04 0.1142531E-04 -.4116489E-07 0.0000000E+00 2 H2O 0.5550825E+02 0.5550825E+02 0.2195461E-07 0.0000000E+00 3 Cl- 0.1379742E-03 0.1379742E-03 0.0000000E+00 0.0000000E+00 4 SO4-- 0.2550724E-04 0.2550450E-04 0.2744326E-08 0.0000000E+00 5 HCO3- 0.1307000E-04 0.1307000E-04 0.0000000E+00 0.0000000E+00 6 HS- -.2771341E-08 -.2701456E-10 -.2744326E-08 0.0000000E+00 7 Al+++ 0.3260742E-06 0.3260742E-06 0.0000000E+00 0.0000000E+00 8 H4SiO4 0.1041278E-05 0.1041278E-05 0.0000000E+00 0.0000000E+00 9 Ca++ 0.1458607E-04 0.1458607E-04 0.0000000E+00 0.0000000E+00 10 Mg++ 0.7936508E-07 0.7936508E-07 0.0000000E+00 0.0000000E+00 11 Fe++ 0.7130086E-07 0.4934625E-07 0.2195461E-07 0.0000000E+00 12 K+ 0.2123142E-07 0.2123142E-07 0.0000000E+00 0.0000000E+00 13 Na+ 0.1601965E-03 0.1601965E-03 0.0000000E+00 0.0000000E+00 14 Mn++ 0.1733860E-08 0.1733860E-08 0.0000000E+00 0.0000000E+00 15 HPO4-- 0.5917578E-09 0.5917578E-09 0.0000000E+00 0.0000000E+00 Chg. balance for solid moles: 0.0000E+00 Mass of aqueous solution: 0.100001E+04 g Temperature = 100.00 C Pressure = 50.00 bar Mixer frac. = 0.0001000 Log Log Vol Gas or mineral Moles Moles Grams Grams Wt.% (cm3) hematite 0.1098E-07 -7.960 0.1753E-05 -5.756 100.0 0.3323E-06 Partial press. Fugacity coef Log fugacity Gas or Mineral Mole fraction or activity Activity coef Log activity hematite 0.1000E+01 0.1000E+01 1.0000 0.000 Solid products produced: Mass = 0.000002 g Volume = 0.000000 cm3 Porosity: 100.0000% V(tot) - V(min): 0.10000E+01 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: 0.0001000 g log = -4.0000 Original solution: 1000.0102895 g Original solution / Rock added: 10000102.89 (Water/Rock Ratio), log = 7.0000 Gas composition at saturation ( 2 iterations) ------------------------------------------------- Temperature: 100.0000 deg.C Sat. pressure: 1.0214 bar Gas Mole fraction phi Fugacity Partial P(bar) H2O,gas 0.9989E+00 0.9859 0.1006E+01 0.1020E+01 CO2,gas 0.1104E-02 1.0071 0.1136E-02 0.1128E-02 CH4,gas 0.3345E-32 1.0125 0.3459E-32 0.3417E-32 H2,gas 0.1293E-10 1.0005 0.1321E-10 0.1321E-10 H2S,gas 0.4146E-26 0.9960 0.4218E-26 0.4235E-26 S2,gas 0.3744E-50 1.0000 0.3824E-50 0.3824E-50 CO,gas 0.3917E-17 1.0000 0.4001E-17 0.4001E-17 SO3,gas 0.3775E-31 1.0000 0.3856E-31 0.3856E-31 SO2,gas 0.1941E-19 1.0000 0.1982E-19 0.1982E-19 HCl,gas 0.8858E-13 1.0000 0.9048E-13 0.9048E-13 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 90 hematite 12.57 12.57 0.00 0.000 -0.32979E-07 65 diaspore 2.87 3.76 0.88 0.147 -0.15095E+04 The following gases and minerals are presently EXCLUDED from matrix (Gases and minerals with log(Q/K) less than -5 are not listed below) Gas or Mineral Log K Log Q Log(Q/K) Log(Q/K)/S Affinity Log Fugacity 1 H2O,gas 1.70 0.00 -1.70 -1.696 0.28965E+04 0.003 2 CO2,gas -6.66 -11.30 -4.64 -1.548 0.79288E+04 -2.945 3 CH4,gas 4.54 -29.62 -34.16 -8.540 0.58327E+05 -32.461 4 H2,gas 8.00 -4.58 -12.58 -7.187 0.21476E+05 -10.879 5 H2S,gas -6.23 -34.30 -28.07 -14.037 0.47935E+05 -26.375 6 S2,gas -7.34 -59.45 -52.12 -8.018 0.88987E+05 -50.417 7 CO,gas 3.21 -15.88 -19.10 -5.876 0.32607E+05 -17.398 8 SO3,gas 17.12 -15.99 -33.11 -8.278 0.56539E+05 -31.414 9 SO2,gas 0.83 -20.57 -21.40 -5.707 0.36543E+05 -19.703 10 HCl,gas 5.19 -9.55 -14.74 -7.371 0.25172E+05 -13.043 21 andalusite 5.00 1.53 -3.47 -0.347 0.59227E+04 24 anhydrite -5.32 -9.52 -4.20 -2.102 0.71794E+04 51 chloritoid-Fe 9.17 5.53 -3.65 -0.243 0.62268E+04 54 coesite -2.38 -5.98 -3.61 -1.202 0.61581E+04 59 corundum 8.38 7.52 -0.87 -0.079 0.14815E+04 61 cristobalite -2.56 -5.98 -3.42 -1.141 0.58435E+04 83 gibbsite 4.08 3.76 -0.32 -0.046 0.54908E+03 98 kaolinite -1.33 -4.45 -3.12 -0.283 0.53222E+04 99 kyanite 4.88 1.53 -3.34 -0.334 0.57086E+04 107 magnetite 20.09 16.56 -3.53 -0.288 0.60226E+04 129 perovskite-Al 12.34 7.52 -4.83 -0.439 0.82453E+04 147 quartz -2.99 -5.98 -2.99 -0.998 0.51108E+04 155 siderite -2.61 -7.31 -4.70 -1.567 0.80277E+04 156 sillimanite 5.26 1.53 -3.73 -0.373 0.63666E+04 177 topaz-H 4.62 1.53 -3.09 -0.281 0.52687E+04 178 tridymite -2.63 -5.98 -3.36 -1.119 0.57308E+04 192 akaganeite 7.75 6.28 -1.47 -0.318 0.25125E+04 199 chalcedony -2.80 -5.98 -3.18 -1.060 0.54301E+04 214 gypsum -4.96 -9.52 -4.57 -1.142 0.77970E+04 233 boehmite 4.41 3.76 -0.65 -0.108 0.11075E+04 240 silica-amorphous -2.09 -5.98 -3.89 -1.297 0.66443E+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 = 9 Loop limit = 400 Temperature = 100.00 C Pressure = 50.00 bar Mixer fraction = 0.0001000 Water: Moles liquid = 0.5551E+02 kg liquid = 0.1000E+01 Moles total = 0.5551E+02 kg total = 0.1000E+01 Activity = 1.0000 Stoichiometric ionic strength = .2362690E-03 Osmotic coef. = 0.9908 True ionic strength = .2315459E-03 Chg. balance for total moles = 0.7000E-15 Max. difference allowed = 0.1380E-07 Log Log Log Species(n) Molality Molality Activity Activity Gamma Gamma 1 H+ 0.21206E-05 -5.6735 0.20410E-05 -5.6902 0.96246E+00 -0.0166 2 H2O 0.10000E+01 0.0000 0.10000E+01 0.0000 3 Cl- 0.13796E-03 -3.8602 0.13277E-03 -3.8769 0.96236E+00 -0.0167 4 SO4-- 0.25362E-04 -4.5958 0.22956E-04 -4.6391 0.90514E+00 -0.0433 5 HCO3- 0.25146E-05 -5.5995 0.24200E-05 -5.6162 0.96238E+00 -0.0167 6 HS- 0.39510E-28 -28.4033 0.38023E-28 -28.4200 0.96236E+00 -0.0167 7 Al+++ 0.77805E-14 -14.1090 0.63563E-14 -14.1968 0.81696E+00 -0.0878 8 H4SiO4 0.10408E-05 -5.9826 0.10408E-05 -5.9826 0.10000E+01 0.0000 9 Ca++ 0.14486E-04 -4.8390 0.13110E-04 -4.8824 0.90502E+00 -0.0433 10 Mg++ 0.79331E-07 -7.1006 0.71791E-07 -7.1439 0.90495E+00 -0.0434 11 Fe++ 0.48394E-07 -7.3152 0.43795E-07 -7.3586 0.90497E+00 -0.0434 12 K+ 0.21224E-07 -7.6732 0.20426E-07 -7.6898 0.96239E+00 -0.0166 13 Na+ 0.16019E-03 -3.7954 0.15416E-03 -3.8120 0.96236E+00 -0.0167 14 Mn++ 0.17198E-08 -8.7645 0.15564E-08 -8.8079 0.90498E+00 -0.0434 15 HPO4-- 0.16240E-10 -10.7894 0.14700E-10 -10.8327 0.90514E+00 -0.0433 16 HSiO3- 0.49478E-09 -9.3056 0.47616E-09 -9.3223 0.96236E+00 -0.0167 17 Ca(HSiO3)+ 0.14772E-12 -12.8306 0.14217E-12 -12.8472 0.96239E+00 -0.0166 18 Mg(HSiO3)+ 0.10067E-14 -14.9971 0.96885E-15 -15.0137 0.96239E+00 -0.0166 19 NaHSiO3,aq 0.11872E-11 -11.9255 0.11872E-11 -11.9255 0.10000E+01 0.0000 20 AlO+ 0.21570E-09 -9.6661 0.20759E-09 -9.6828 0.96239E+00 -0.0166 21 AlOH+2 0.23312E-11 -11.6324 0.21097E-11 -11.6758 0.90500E+00 -0.0434 22 HAlO2,aq 0.20256E-07 -7.6935 0.20256E-07 -7.6935 0.10000E+01 0.0000 23 AlO2- 0.22829E-07 -7.6415 0.21969E-07 -7.6582 0.96233E+00 -0.0167 30 CO2,aq 0.10554E-04 -4.9766 0.10554E-04 -4.9766 0.99993E+00 0.0000 31 CO3-2 0.11442E-09 -9.9415 0.10357E-09 -9.9848 0.90510E+00 -0.0433 32 CaCO3,aq 0.17025E-10 -10.7689 0.17025E-10 -10.7689 0.10000E+01 0.0000 33 Ca(HCO3)+ 0.84151E-09 -9.0749 0.80986E-09 -9.0916 0.96239E+00 -0.0166 34 CaCl+ 0.29271E-08 -8.5336 0.28170E-08 -8.5502 0.96239E+00 -0.0166 35 CaCl2,aq 0.88858E-13 -13.0513 0.88858E-13 -13.0513 0.10000E+01 0.0000 36 CaOH+ 0.47570E-09 -9.3227 0.45781E-09 -9.3393 0.96239E+00 -0.0166 37 CaSO4,aq 0.95570E-07 -7.0197 0.95570E-07 -7.0197 0.10000E+01 0.0000 38 HCl,aq 0.49656E-10 -10.3040 0.49656E-10 -10.3040 0.10000E+01 0.0000 42 Fe+3 0.83076E-19 -19.0805 0.67873E-19 -19.1683 0.81700E+00 -0.0878 43 FeCl+ 0.95635E-11 -11.0194 0.92038E-11 -11.0360 0.96239E+00 -0.0166 44 FeCl2,aq 0.38689E-19 -19.4124 0.38689E-19 -19.4124 0.10000E+01 0.0000 46 FeO,aq 0.40862E-12 -12.3887 0.40862E-12 -12.3887 0.10000E+01 0.0000 47 FeOH+ 0.72578E-09 -9.1392 0.69848E-09 -9.1558 0.96239E+00 -0.0166 48 HFeO2- 0.21767E-14 -14.6622 0.20948E-14 -14.6789 0.96236E+00 -0.0167 49 FeO+ 0.16187E-10 -10.7908 0.15579E-10 -10.8075 0.96239E+00 -0.0166 50 FeOH+2 0.67094E-14 -14.1733 0.60720E-14 -14.2167 0.90500E+00 -0.0434 51 FeO2- 0.79518E-12 -12.0995 0.76525E-12 -12.1162 0.96236E+00 -0.0167 52 HFeO2,aq 0.19864E-09 -9.7019 0.19864E-09 -9.7019 0.10000E+01 0.0000 53 H2,aq 0.11438E-13 -13.9417 0.11437E-13 -13.9417 0.99993E+00 0.0000 54 KCl,aq 0.49152E-13 -13.3085 0.49152E-13 -13.3085 0.10000E+01 0.0000 55 KHSO4,aq 0.27058E-17 -17.5677 0.27058E-17 -17.5677 0.10000E+01 0.0000 56 KOH,aq 0.42739E-14 -14.3692 0.42739E-14 -14.3692 0.10000E+01 0.0000 57 KSO4- 0.75606E-11 -11.1214 0.72760E-11 -11.1381 0.96236E+00 -0.0167 58 MgCO3,aq 0.23368E-13 -13.6314 0.23368E-13 -13.6314 0.10000E+01 0.0000 59 Mg(HCO3)+ 0.47085E-11 -11.3271 0.45314E-11 -11.3438 0.96239E+00 -0.0166 60 MgCl+ 0.14527E-10 -10.8378 0.13981E-10 -10.8545 0.96239E+00 -0.0166 61 MgOH+ 0.14414E-10 -10.8412 0.13872E-10 -10.8579 0.96239E+00 -0.0166 63 MnO,aq 0.38694E-15 -15.4124 0.38694E-15 -15.4124 0.10000E+01 0.0000 64 MnOH+ 0.23961E-11 -11.6205 0.23060E-11 -11.6371 0.96239E+00 -0.0166 69 MnCl+ 0.13222E-11 -11.8787 0.12725E-11 -11.8953 0.96239E+00 -0.0166 70 MnSO4,aq 0.10315E-10 -10.9865 0.10315E-10 -10.9865 0.10000E+01 0.0000 71 NaCl,aq 0.67831E-08 -8.1686 0.67831E-08 -8.1686 0.10000E+01 0.0000 72 NaOH,aq 0.32452E-10 -10.4888 0.32452E-10 -10.4888 0.10000E+01 0.0000 74 OH- 0.29417E-06 -6.5314 0.28309E-06 -6.5481 0.96233E+00 -0.0167 82 H3PO4,aq 0.42826E-12 -12.3683 0.42826E-12 -12.3683 0.10000E+01 0.0000 83 H2PO4- 0.57509E-09 -9.2403 0.55345E-09 -9.2569 0.96238E+00 -0.0167 84 PO4-3 0.71868E-17 -17.1435 0.58763E-17 -17.2309 0.81766E+00 -0.0874 87 H2P2O7-2 0.26536E-19 -19.5762 0.24018E-19 -19.6195 0.90510E+00 -0.0433 97 SO3-2 0.37686E-19 -19.4238 0.34118E-19 -19.4670 0.90533E+00 -0.0432 98 HSO3- 0.45305E-17 -17.3439 0.43599E-17 -17.3605 0.96236E+00 -0.0167 99 HSO4- 0.46916E-07 -7.3287 0.45153E-07 -7.3453 0.96241E+00 -0.0166 Charge balance for all species = 0.7000E-15 Component Molality Aq.molality ppm log[A(N)/A(H+)**Z] (total) 1 H+ 0.2120578E-05 0.1227363E-04 0.1237095E-01 0.0000 2 H2O 0.1000000E+01 0.5550824E+02 0.9999875E+06 0.0000 3 Cl- 0.1379644E-03 0.1379742E-03 0.4891548E+01 1.8133 4 SO4-- 0.2536196E-04 0.2550449E-04 0.2449978E+01 6.7412 5 HCO3- 0.2514560E-05 0.1307000E-04 0.7974866E+00 0.0740 6 HS- 0.3951013E-28 -.2695117E-10 -.8913202E-06 -22.7298 7 Al+++ 0.7780482E-14 0.4330261E-07 0.1168358E-02 2.8737 8 H4SiO4 0.1040782E-05 0.1041278E-05 0.1000819E+00 -5.9826 9 Ca++ 0.1448624E-04 0.1458607E-04 0.5845747E+00 6.4979 10 Mg++ 0.7933139E-07 0.7936507E-07 0.1929504E-02 4.2364 11 Fe++ 0.4839435E-07 0.4934574E-07 0.2755783E-02 4.0218 12 K+ 0.2122381E-07 0.2123142E-07 0.8301826E-03 -1.9997 13 Na+ 0.1601897E-03 0.1601965E-03 0.3682848E+01 1.8781 14 Mn++ 0.1719826E-08 0.1733859E-08 0.9525381E-04 2.5725 15 HPO4-- 0.1624033E-10 0.5917577E-09 0.5679573E-04 0.5476 Component Tot moles Aq. moles Solid moles Gas moles 1 H+ 0.1138415E-04 0.1227363E-04 -.8894805E-06 0.0000000E+00 2 H2O 0.5550825E+02 0.5550825E+02 0.5874982E-06 0.0000000E+00 3 Cl- 0.1379742E-03 0.1379742E-03 0.0000000E+00 0.0000000E+00 4 SO4-- 0.2550724E-04 0.2550450E-04 0.2744390E-08 0.0000000E+00 5 HCO3- 0.1307000E-04 0.1307000E-04 0.0000000E+00 0.0000000E+00 6 HS- -.2771341E-08 -.2695118E-10 -.2744390E-08 0.0000000E+00 7 Al+++ 0.3260742E-06 0.4330262E-07 0.2827715E-06 0.0000000E+00 8 H4SiO4 0.1041278E-05 0.1041278E-05 0.0000000E+00 0.0000000E+00 9 Ca++ 0.1458607E-04 0.1458607E-04 0.0000000E+00 0.0000000E+00 10 Mg++ 0.7936508E-07 0.7936508E-07 0.0000000E+00 0.0000000E+00 11 Fe++ 0.7130086E-07 0.4934574E-07 0.2195512E-07 0.0000000E+00 12 K+ 0.2123142E-07 0.2123142E-07 0.0000000E+00 0.0000000E+00 13 Na+ 0.1601965E-03 0.1601965E-03 0.0000000E+00 0.0000000E+00 14 Mn++ 0.1733860E-08 0.1733860E-08 0.0000000E+00 0.0000000E+00 15 HPO4-- 0.5917578E-09 0.5917578E-09 0.0000000E+00 0.0000000E+00 Chg. balance for solid moles: 0.3309E-22 Mass of aqueous solution: 0.100001E+04 g Temperature = 100.00 C Pressure = 50.00 bar Mixer frac. = 0.0001000 Log Log Vol Gas or mineral Moles Moles Grams Grams Wt.% (cm3) hematite 0.1098E-07 -7.959 0.1753E-05 -5.756 9.367 0.3323E-06 diaspore 0.2828E-06 -6.549 0.1696E-04 -4.770 90.63 0.5050E-05 Partial press. Fugacity coef Log fugacity Gas or Mineral Mole fraction or activity Activity coef Log activity hematite 0.1000E+01 0.1000E+01 1.0000 0.000 diaspore 0.1000E+01 0.1000E+01 1.0000 0.000 Solid products produced: Mass = 0.000019 g Volume = 0.000005 cm3 Porosity: 99.9995% V(tot) - V(min): 0.10000E+01 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: 0.0001000 g log = -4.0000 Original solution: 1000.0102895 g Original solution / Rock added: 10000102.89 (Water/Rock Ratio), log = 7.0000 Gas composition at saturation ( 2 iterations) ------------------------------------------------- Temperature: 100.0000 deg.C Sat. pressure: 1.0214 bar Gas Mole fraction phi Fugacity Partial P(bar) H2O,gas 0.9989E+00 0.9859 0.1006E+01 0.1020E+01 CO2,gas 0.1098E-02 1.0071 0.1129E-02 0.1121E-02 CH4,gas 0.5541E-32 1.0125 0.5731E-32 0.5660E-32 H2,gas 0.1469E-10 1.0005 0.1502E-10 0.1501E-10 H2S,gas 0.6481E-26 0.9960 0.6593E-26 0.6619E-26 S2,gas 0.7085E-50 1.0000 0.7237E-50 0.7237E-50 CO,gas 0.4424E-17 1.0000 0.4518E-17 0.4518E-17 SO3,gas 0.3540E-31 1.0000 0.3616E-31 0.3616E-31 SO2,gas 0.2068E-19 1.0000 0.2112E-19 0.2112E-19 HCl,gas 0.8578E-13 1.0000 0.8762E-13 0.8762E-13 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 65 diaspore 2.87 2.87 0.00 0.000 0.30331E-11 90 hematite 12.57 12.57 0.00 0.000 0.90992E-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 -1.696 0.28965E+04 0.003 2 CO2,gas -6.66 -11.31 -4.65 -1.549 0.79333E+04 -2.947 3 CH4,gas 4.54 -29.40 -33.94 -8.485 0.57953E+05 -32.242 4 H2,gas 8.00 -4.52 -12.52 -7.156 0.21382E+05 -10.823 5 H2S,gas -6.23 -34.11 -27.88 -13.940 0.47604E+05 -26.181 6 S2,gas -7.34 -59.17 -51.84 -7.975 0.88514E+05 -50.140 7 CO,gas 3.21 -15.83 -19.04 -5.860 0.32517E+05 -17.345 8 SO3,gas 17.12 -16.02 -33.14 -8.285 0.56587E+05 -31.442 9 SO2,gas 0.83 -20.54 -21.37 -5.700 0.36496E+05 -19.675 10 HCl,gas 5.19 -9.57 -14.76 -7.378 0.25196E+05 -13.057 24 anhydrite -5.32 -9.52 -4.20 -2.102 0.71794E+04 54 coesite -2.38 -5.98 -3.61 -1.202 0.61581E+04 59 corundum 8.38 5.75 -2.64 -0.240 0.45004E+04 61 cristobalite -2.56 -5.98 -3.42 -1.141 0.58435E+04 83 gibbsite 4.08 2.87 -1.21 -0.172 0.20585E+04 98 kaolinite -1.33 -6.22 -4.89 -0.444 0.83412E+04 107 magnetite 20.09 16.59 -3.50 -0.286 0.59752E+04 147 quartz -2.99 -5.98 -2.99 -0.998 0.51108E+04 155 siderite -2.61 -7.28 -4.68 -1.559 0.79849E+04 177 topaz-H 4.62 -0.24 -4.85 -0.441 0.82876E+04 178 tridymite -2.63 -5.98 -3.36 -1.119 0.57308E+04 192 akaganeite 7.75 6.28 -1.47 -0.318 0.25125E+04 199 chalcedony -2.80 -5.98 -3.18 -1.060 0.54301E+04 214 gypsum -4.96 -9.52 -4.57 -1.142 0.77970E+04 233 boehmite 4.41 2.87 -1.53 -0.255 0.26169E+04 240 silica-amorphous -2.09 -5.98 -3.89 -1.297 0.66443E+04 Calculations done for 100.0000 Deg. C; 50.0000 bar Next reactant titration increment of: 0.0001000 g Current total amount of reactant added: 0.0001000 g New total amount of reactant added: 0.0002000 g Solids and gases carried Charge balance check after fractionation or titration: TBAL = 0.7000E-15 ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ Magmatic gas scrubbing preliminary calculation. React meteoric water with andesite, Getahun et al. 1996 J. Volc. Geotherm. Res. 71(73-107). Table 1 page 82 sample MAF-1 ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ Number of loops used = 10 Loop limit = 400 Temperature = 100.00 C Pressure = 50.00 bar Mixer fraction = 0.0002000 Water: Moles liquid = 0.5551E+02 kg liquid = 0.1000E+01 Moles total = 0.5551E+02 kg total = 0.1000E+01 Activity = 1.0000 Stoichiometric ionic strength = .2368496E-03 Osmotic coef. = 0.9907 True ionic strength = .2321491E-03 Chg. balance for total moles = 0.7000E-15 Max. difference allowed = 0.1380E-07 Log Log Log Species(n) Molality Molality Activity Activity Gamma Gamma 1 H+ 0.18406E-05 -5.7351 0.17714E-05 -5.7517 0.96244E+00 -0.0166 2 H2O 0.10000E+01 0.0000 0.10000E+01 0.0000 3 Cl- 0.13796E-03 -3.8602 0.13277E-03 -3.8769 0.96233E+00 -0.0167 4 SO4-- 0.25367E-04 -4.5957 0.22959E-04 -4.6391 0.90504E+00 -0.0433 5 HCO3- 0.28148E-05 -5.5506 0.27089E-05 -5.5672 0.96236E+00 -0.0167 6 HS- 0.83095E-25 -25.0804 0.79965E-25 -25.0971 0.96234E+00 -0.0167 7 Al+++ 0.50882E-14 -14.2934 0.41558E-14 -14.3813 0.81677E+00 -0.0879 8 H4SiO4 0.20814E-05 -5.6816 0.20814E-05 -5.6816 0.10000E+01 0.0000 9 Ca++ 0.14600E-04 -4.8356 0.13212E-04 -4.8790 0.90493E+00 -0.0434 10 Mg++ 0.15866E-06 -6.7995 0.14356E-06 -6.8430 0.90486E+00 -0.0434 11 Fe++ 0.96571E-07 -7.0152 0.87385E-07 -7.0586 0.90488E+00 -0.0434 12 K+ 0.42448E-07 -7.3721 0.40850E-07 -7.3888 0.96236E+00 -0.0167 13 Na+ 0.16032E-03 -3.7950 0.15428E-03 -3.8117 0.96233E+00 -0.0167 14 Mn++ 0.34389E-08 -8.4636 0.31118E-08 -8.5070 0.90489E+00 -0.0434 15 HPO4-- 0.37274E-10 -10.4286 0.33735E-10 -10.4719 0.90504E+00 -0.0433 16 HSiO3- 0.11401E-08 -8.9431 0.10971E-08 -8.9597 0.96233E+00 -0.0167 17 Ca(HSiO3)+ 0.34303E-12 -12.4647 0.33012E-12 -12.4813 0.96237E+00 -0.0167 18 Mg(HSiO3)+ 0.46387E-14 -14.3336 0.44642E-14 -14.3503 0.96237E+00 -0.0167 19 NaHSiO3,aq 0.27376E-11 -11.5626 0.27376E-11 -11.5626 0.10000E+01 0.0000 20 AlO+ 0.18722E-09 -9.7276 0.18017E-09 -9.7443 0.96237E+00 -0.0167 21 AlOH+2 0.17563E-11 -11.7554 0.15892E-11 -11.7988 0.90490E+00 -0.0434 22 HAlO2,aq 0.20256E-07 -7.6935 0.20256E-07 -7.6935 0.10000E+01 0.0000 23 AlO2- 0.26303E-07 -7.5800 0.25312E-07 -7.5967 0.96230E+00 -0.0167 29 CO,aq 0.20668E-19 -19.6847 0.20668E-19 -19.6847 0.10000E+01 0.0000 30 CO2,aq 0.10254E-04 -4.9891 0.10253E-04 -4.9891 0.99993E+00 0.0000 31 CO3-2 0.14759E-09 -9.8309 0.13357E-09 -9.8743 0.90501E+00 -0.0433 32 CaCO3,aq 0.22128E-10 -10.6551 0.22128E-10 -10.6551 0.10000E+01 0.0000 33 Ca(HCO3)+ 0.94930E-09 -9.0226 0.91358E-09 -9.0393 0.96237E+00 -0.0167 34 CaCl+ 0.29498E-08 -8.5302 0.28388E-08 -8.5469 0.96237E+00 -0.0167 35 CaCl2,aq 0.89543E-13 -13.0480 0.89543E-13 -13.0480 0.10000E+01 0.0000 36 CaOH+ 0.55235E-09 -9.2578 0.53157E-09 -9.2744 0.96237E+00 -0.0167 37 CaSO4,aq 0.96323E-07 -7.0163 0.96323E-07 -7.0163 0.10000E+01 0.0000 38 HCl,aq 0.43097E-10 -10.3656 0.43097E-10 -10.3656 0.10000E+01 0.0000 42 Fe+3 0.54329E-19 -19.2650 0.44376E-19 -19.3528 0.81681E+00 -0.0879 43 FeCl+ 0.19082E-10 -10.7194 0.18364E-10 -10.7360 0.96237E+00 -0.0167 44 FeCl2,aq 0.77192E-19 -19.1124 0.77192E-19 -19.1124 0.10000E+01 0.0000 46 FeO,aq 0.10823E-11 -11.9656 0.10823E-11 -11.9656 0.10000E+01 0.0000 47 FeOH+ 0.16686E-08 -8.7777 0.16058E-08 -8.7943 0.96237E+00 -0.0167 48 HFeO2- 0.66431E-14 -14.1776 0.63929E-14 -14.1943 0.96233E+00 -0.0167 49 FeO+ 0.14050E-10 -10.8523 0.13521E-10 -10.8690 0.96237E+00 -0.0167 50 FeOH+2 0.50547E-14 -14.2963 0.45740E-14 -14.3397 0.90490E+00 -0.0434 51 FeO2- 0.91620E-12 -12.0380 0.88169E-12 -12.0547 0.96233E+00 -0.0167 52 HFeO2,aq 0.19864E-09 -9.7019 0.19864E-09 -9.7019 0.10000E+01 0.0000 53 H2,aq 0.80246E-13 -13.0956 0.80240E-13 -13.0956 0.99993E+00 0.0000 54 KCl,aq 0.98298E-13 -13.0075 0.98298E-13 -13.0075 0.10000E+01 0.0000 55 KHSO4,aq 0.46972E-17 -17.3282 0.46972E-17 -17.3282 0.10000E+01 0.0000 56 KOH,aq 0.98482E-14 -14.0066 0.98482E-14 -14.0066 0.10000E+01 0.0000 57 KSO4- 0.15123E-10 -10.8204 0.14553E-10 -10.8370 0.96233E+00 -0.0167 58 MgCO3,aq 0.60268E-13 -13.2199 0.60268E-13 -13.2199 0.10000E+01 0.0000 59 Mg(HCO3)+ 0.10540E-10 -10.9772 0.10143E-10 -10.9938 0.96237E+00 -0.0167 60 MgCl+ 0.29050E-10 -10.5369 0.27957E-10 -10.5535 0.96237E+00 -0.0167 61 MgOH+ 0.33211E-10 -10.4787 0.31961E-10 -10.4954 0.96237E+00 -0.0167 63 MnO,aq 0.10270E-14 -14.9884 0.10270E-14 -14.9884 0.10000E+01 0.0000 64 MnOH+ 0.55198E-11 -11.2581 0.53120E-11 -11.2747 0.96237E+00 -0.0167 69 MnCl+ 0.26437E-11 -11.5778 0.25442E-11 -11.5945 0.96237E+00 -0.0167 70 MnSO4,aq 0.20625E-10 -10.6856 0.20625E-10 -10.6856 0.10000E+01 0.0000 71 NaCl,aq 0.67881E-08 -8.1683 0.67881E-08 -8.1683 0.10000E+01 0.0000 72 NaOH,aq 0.37419E-10 -10.4269 0.37419E-10 -10.4269 0.10000E+01 0.0000 74 OH- 0.33894E-06 -6.4699 0.32616E-06 -6.4866 0.96230E+00 -0.0167 82 H3PO4,aq 0.74036E-12 -12.1306 0.74036E-12 -12.1306 0.10000E+01 0.0000 83 H2PO4- 0.11455E-08 -8.9410 0.11024E-08 -8.9577 0.96235E+00 -0.0167 84 PO4-3 0.19007E-16 -16.7211 0.15538E-16 -16.8086 0.81747E+00 -0.0875 87 H2P2O7-2 0.10529E-18 -18.9776 0.95286E-19 -19.0210 0.90501E+00 -0.0433 88 HP2O7-3 0.13150E-19 -19.8811 0.10741E-19 -19.9690 0.81677E+00 -0.0879 96 SO2,aq 0.25816E-19 -19.5881 0.25816E-19 -19.5881 0.10000E+01 0.0000 97 SO3-2 0.26445E-18 -18.5777 0.23939E-18 -18.6209 0.90524E+00 -0.0432 98 HSO3- 0.27591E-16 -16.5592 0.26552E-16 -16.5759 0.96233E+00 -0.0167 99 HSO4- 0.40726E-07 -7.3901 0.39194E-07 -7.4068 0.96238E+00 -0.0167 Charge balance for all species = 0.7000E-15 Component Molality Aq.molality ppm log[A(N)/A(H+)**Z] (total) 1 H+ 0.1840559E-05 0.1162724E-04 0.1171944E-01 0.0000 2 H2O 0.1000000E+01 0.5550824E+02 0.9999874E+06 0.0000 3 Cl- 0.1379643E-03 0.1379742E-03 0.4891548E+01 1.8748 4 SO4-- 0.2536738E-04 0.2550449E-04 0.2449977E+01 6.8643 5 HCO3- 0.2814809E-05 0.1307000E-04 0.7974865E+00 0.1845 6 HS- 0.8309461E-25 -.2668170E-10 -.8824081E-06 -19.3454 7 Al+++ 0.5088159E-14 0.4674806E-07 0.1261320E-02 2.8737 8 H4SiO4 0.2081413E-05 0.2082556E-05 0.2001637E+00 -5.6816 9 Ca++ 0.1460029E-04 0.1470109E-04 0.5891841E+00 6.6243 10 Mg++ 0.1586573E-06 0.1587301E-06 0.3859008E-02 4.6604 11 Fe++ 0.9657137E-07 0.9847371E-07 0.5499405E-02 4.4448 12 K+ 0.4244761E-07 0.4246284E-07 0.1660365E-02 -1.6371 13 Na+ 0.1603152E-03 0.1603220E-03 0.3685734E+01 1.9400 14 Mn++ 0.3438929E-08 0.3467719E-08 0.1905076E-03 2.9964 15 HPO4-- 0.3727390E-10 0.1183515E-08 0.1135915E-03 1.0314 Component Tot moles Aq. moles Solid moles Gas moles 1 H+ 0.9728297E-05 0.1162724E-04 -.1898941E-05 0.0000000E+00 2 H2O 0.5550825E+02 0.5550825E+02 0.1254929E-05 0.0000000E+00 3 Cl- 0.1379742E-03 0.1379742E-03 0.0000000E+00 0.0000000E+00 4 SO4-- 0.2551001E-04 0.2550450E-04 0.5516000E-08 0.0000000E+00 5 HCO3- 0.1307000E-04 0.1307000E-04 0.0000000E+00 0.0000000E+00 6 HS- -.5542682E-08 -.2668170E-10 -.5516000E-08 0.0000000E+00 7 Al+++ 0.6521483E-06 0.4674807E-07 0.6054003E-06 0.0000000E+00 8 H4SiO4 0.2082557E-05 0.2082557E-05 0.0000000E+00 0.0000000E+00 9 Ca++ 0.1470109E-04 0.1470109E-04 0.0000000E+00 0.0000000E+00 10 Mg++ 0.1587302E-06 0.1587302E-06 0.0000000E+00 0.0000000E+00 11 Fe++ 0.1426017E-06 0.9847372E-07 0.4412800E-07 0.0000000E+00 12 K+ 0.4246285E-07 0.4246285E-07 0.0000000E+00 0.0000000E+00 13 Na+ 0.1603220E-03 0.1603220E-03 0.0000000E+00 0.0000000E+00 14 Mn++ 0.3467719E-08 0.3467719E-08 0.0000000E+00 0.0000000E+00 15 HPO4-- 0.1183515E-08 0.1183515E-08 0.0000000E+00 0.0000000E+00 Chg. balance for solid moles: -.2647E-21 Mass of aqueous solution: 0.100001E+04 g Temperature = 100.00 C Pressure = 50.00 bar Mixer frac. = 0.0002000 Log Log Vol Gas or mineral Moles Moles Grams Grams Wt.% (cm3) diaspore 0.6054E-06 -6.218 0.3632E-04 -4.440 91.16 0.1081E-04 hematite 0.2206E-07 -7.656 0.3524E-05 -5.453 8.844 0.6679E-06 Partial press. Fugacity coef Log fugacity Gas or Mineral Mole fraction or activity Activity coef Log activity diaspore 0.1000E+01 0.1000E+01 1.0000 0.000 hematite 0.1000E+01 0.1000E+01 1.0000 0.000 Solid products produced: Mass = 0.000040 g Volume = 0.000011 cm3 Porosity: 99.9989% V(tot) - V(min): 0.10001E+01 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: 0.0002000 g log = -3.6990 Original solution: 1000.0102895 g Original solution / Rock added: 5000051.45 (Water/Rock Ratio), log = 6.6990 Gas composition at saturation ( 2 iterations) ------------------------------------------------- Temperature: 100.0000 deg.C Sat. pressure: 1.0214 bar Gas Mole fraction phi Fugacity Partial P(bar) H2O,gas 0.9989E+00 0.9859 0.1006E+01 0.1020E+01 CO2,gas 0.1066E-02 1.0071 0.1097E-02 0.1089E-02 CH4,gas 0.1304E-28 1.0125 0.1349E-28 0.1332E-28 H2,gas 0.1031E-09 1.0005 0.1053E-09 0.1053E-09 H2S,gas 0.1183E-22 0.9960 0.1203E-22 0.1208E-22 S2,gas 0.4796E-45 1.0000 0.4899E-45 0.4899E-45 CO,gas 0.3015E-16 1.0000 0.3080E-16 0.3080E-16 SO3,gas 0.2667E-31 1.0000 0.2724E-31 0.2724E-31 SO2,gas 0.1093E-18 1.0000 0.1116E-18 0.1116E-18 HCl,gas 0.7445E-13 1.0000 0.7605E-13 0.7605E-13 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 65 diaspore 2.87 2.87 0.00 0.000 0.30331E-11 90 hematite 12.57 12.57 0.00 0.000 0.00000E+00 The following gases and minerals are presently EXCLUDED from matrix (Gases and minerals with log(Q/K) less than -5 are not listed below) Gas or Mineral Log K Log Q Log(Q/K) Log(Q/K)/S Affinity Log Fugacity 1 H2O,gas 1.70 0.00 -1.70 -1.696 0.28965E+04 0.003 2 CO2,gas -6.66 -11.32 -4.66 -1.553 0.79547E+04 -2.960 3 CH4,gas 4.54 -26.03 -30.57 -7.642 0.52196E+05 -28.870 4 H2,gas 8.00 -3.68 -11.68 -6.672 0.19937E+05 -9.977 5 H2S,gas -6.23 -30.85 -24.62 -12.309 0.42035E+05 -22.920 6 S2,gas -7.34 -54.34 -47.01 -7.232 0.80266E+05 -45.310 7 CO,gas 3.21 -15.00 -18.21 -5.603 0.31094E+05 -16.511 8 SO3,gas 17.12 -16.14 -33.26 -8.316 0.56797E+05 -31.565 9 SO2,gas 0.83 -19.82 -20.65 -5.507 0.35261E+05 -18.952 10 HCl,gas 5.19 -9.63 -14.82 -7.409 0.25301E+05 -13.119 21 andalusite 5.00 0.07 -4.94 -0.494 0.84277E+04 24 anhydrite -5.32 -9.52 -4.20 -2.101 0.71736E+04 51 chloritoid-Fe 9.17 4.51 -4.66 -0.311 0.79621E+04 54 coesite -2.38 -5.68 -3.31 -1.102 0.56442E+04 59 corundum 8.38 5.75 -2.64 -0.240 0.45004E+04 61 cristobalite -2.56 -5.68 -3.12 -1.040 0.53295E+04 83 gibbsite 4.08 2.87 -1.21 -0.172 0.20585E+04 98 kaolinite -1.33 -5.62 -4.28 -0.389 0.73133E+04 99 kyanite 4.88 0.07 -4.81 -0.481 0.82136E+04 107 magnetite 20.09 17.01 -3.08 -0.251 0.52529E+04 147 quartz -2.99 -5.68 -2.69 -0.897 0.45969E+04 155 siderite -2.61 -6.87 -4.27 -1.422 0.72840E+04 177 topaz-H 4.62 0.07 -4.55 -0.414 0.77737E+04 178 tridymite -2.63 -5.68 -3.06 -1.018 0.52168E+04 192 akaganeite 7.75 6.28 -1.47 -0.318 0.25125E+04 199 chalcedony -2.80 -5.68 -2.88 -0.960 0.49162E+04 214 gypsum -4.96 -9.52 -4.56 -1.141 0.77911E+04 233 boehmite 4.41 2.87 -1.53 -0.255 0.26169E+04 240 silica-amorphous -2.09 -5.68 -3.59 -1.197 0.61303E+04 Calculations done for 100.0000 Deg. C; 50.0000 bar Next reactant titration increment of: 0.0001000 g Current total amount of reactant added: 0.0002000 g New total amount of reactant added: 0.0003000 g Solids and gases carried Charge balance check after fractionation or titration: TBAL = 0.7000E-15 ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ 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 = 0.0003000 Water: Moles liquid = 0.5551E+02 kg liquid = 0.1000E+01 Moles total = 0.5551E+02 kg total = 0.1000E+01 Activity = 1.0000 Stoichiometric ionic strength = .2374327E-03 Osmotic coef. = 0.9907 True ionic strength = .2327862E-03 Chg. balance for total moles = 0.7000E-15 Max. difference allowed = 0.1380E-07 Log Log Log Species(n) Molality Molality Activity Activity Gamma Gamma 1 H+ 0.15958E-05 -5.7970 0.15358E-05 -5.8137 0.96241E+00 -0.0166 2 H2O 0.10000E+01 0.0000 0.10000E+01 0.0000 3 Cl- 0.13796E-03 -3.8602 0.13276E-03 -3.8769 0.96231E+00 -0.0167 4 SO4-- 0.25372E-04 -4.5956 0.22960E-04 -4.6390 0.90494E+00 -0.0434 5 HCO3- 0.31428E-05 -5.5027 0.30244E-05 -5.5194 0.96233E+00 -0.0167 6 HS- 0.17727E-22 -22.7514 0.17059E-22 -22.7681 0.96231E+00 -0.0167 7 Al+++ 0.33168E-14 -14.4793 0.27084E-14 -14.5673 0.81657E+00 -0.0880 8 H4SiO4 0.31219E-05 -5.5056 0.31219E-05 -5.5056 0.10000E+01 0.0000 9 Ca++ 0.14714E-04 -4.8323 0.13314E-04 -4.8757 0.90483E+00 -0.0434 10 Mg++ 0.23798E-06 -6.6235 0.21531E-06 -6.6669 0.90476E+00 -0.0435 11 Fe++ 0.14448E-06 -6.8402 0.13072E-06 -6.8837 0.90478E+00 -0.0435 12 K+ 0.63671E-07 -7.1961 0.61273E-07 -7.2127 0.96234E+00 -0.0167 13 Na+ 0.16044E-03 -3.7947 0.15439E-03 -3.8114 0.96231E+00 -0.0167 14 Mn++ 0.51571E-08 -8.2876 0.46661E-08 -8.3310 0.90479E+00 -0.0435 15 HPO4-- 0.64188E-10 -10.1925 0.58087E-10 -10.2359 0.90495E+00 -0.0434 16 HSiO3- 0.19724E-08 -8.7050 0.18980E-08 -8.7217 0.96231E+00 -0.0167 17 Ca(HSiO3)+ 0.59802E-12 -12.2233 0.57550E-12 -12.2400 0.96234E+00 -0.0167 18 Mg(HSiO3)+ 0.12036E-13 -13.9195 0.11582E-13 -13.9362 0.96234E+00 -0.0167 19 NaHSiO3,aq 0.47395E-11 -11.3243 0.47395E-11 -11.3243 0.10000E+01 0.0000 20 AlO+ 0.16232E-09 -9.7896 0.15621E-09 -9.8063 0.96234E+00 -0.0167 21 AlOH+2 0.13203E-11 -11.8793 0.11946E-11 -11.9228 0.90480E+00 -0.0434 22 HAlO2,aq 0.20256E-07 -7.6935 0.20256E-07 -7.6935 0.10000E+01 0.0000 23 AlO2- 0.30339E-07 -7.5180 0.29195E-07 -7.5347 0.96228E+00 -0.0167 29 CO,aq 0.79234E-19 -19.1011 0.79234E-19 -19.1011 0.10000E+01 0.0000 30 CO2,aq 0.99259E-05 -5.0032 0.99252E-05 -5.0033 0.99993E+00 0.0000 31 CO3-2 0.19008E-09 -9.7211 0.17201E-09 -9.7645 0.90491E+00 -0.0434 32 CaCO3,aq 0.28715E-10 -10.5419 0.28715E-10 -10.5419 0.10000E+01 0.0000 33 Ca(HCO3)+ 0.10681E-08 -8.9714 0.10279E-08 -8.9881 0.96234E+00 -0.0167 34 CaCl+ 0.29725E-08 -8.5269 0.28606E-08 -8.5435 0.96234E+00 -0.0167 35 CaCl2,aq 0.90228E-13 -13.0447 0.90228E-13 -13.0447 0.10000E+01 0.0000 36 CaOH+ 0.64201E-09 -9.1925 0.61783E-09 -9.2091 0.96234E+00 -0.0167 37 CaSO4,aq 0.97071E-07 -7.0129 0.97071E-07 -7.0129 0.10000E+01 0.0000 38 HCl,aq 0.37364E-10 -10.4275 0.37364E-10 -10.4275 0.10000E+01 0.0000 42 Fe+3 0.35415E-19 -19.4508 0.28921E-19 -19.5388 0.81661E+00 -0.0880 43 FeCl+ 0.28545E-10 -10.5445 0.27470E-10 -10.5611 0.96234E+00 -0.0167 44 FeCl2,aq 0.11547E-18 -18.9375 0.11547E-18 -18.9375 0.10000E+01 0.0000 46 FeO,aq 0.21539E-11 -11.6668 0.21539E-11 -11.6668 0.10000E+01 0.0000 47 FeOH+ 0.28790E-08 -8.5408 0.27706E-08 -8.5574 0.96234E+00 -0.0167 48 HFeO2- 0.15249E-13 -13.8168 0.14674E-13 -13.8334 0.96231E+00 -0.0167 49 FeO+ 0.12181E-10 -10.9143 0.11723E-10 -10.9310 0.96234E+00 -0.0167 50 FeOH+2 0.38000E-14 -14.4202 0.34382E-14 -14.4637 0.90480E+00 -0.0434 51 FeO2- 0.10568E-11 -11.9760 0.10169E-11 -11.9927 0.96231E+00 -0.0167 52 HFeO2,aq 0.19864E-09 -9.7019 0.19864E-09 -9.7019 0.10000E+01 0.0000 53 H2,aq 0.31781E-12 -12.4978 0.31779E-12 -12.4979 0.99993E+00 0.0000 54 KCl,aq 0.14744E-12 -12.8314 0.14744E-12 -12.8314 0.10000E+01 0.0000 55 KHSO4,aq 0.61090E-17 -17.2140 0.61090E-17 -17.2140 0.10000E+01 0.0000 56 KOH,aq 0.17038E-13 -13.7686 0.17038E-13 -13.7686 0.10000E+01 0.0000 57 KSO4- 0.22686E-10 -10.6442 0.21831E-10 -10.6609 0.96231E+00 -0.0167 58 MgCO3,aq 0.11640E-12 -12.9340 0.11640E-12 -12.9340 0.10000E+01 0.0000 59 Mg(HCO3)+ 0.17650E-10 -10.7533 0.16985E-10 -10.7699 0.96234E+00 -0.0167 60 MgCl+ 0.43569E-10 -10.3608 0.41928E-10 -10.3775 0.96234E+00 -0.0167 61 MgOH+ 0.57452E-10 -10.2407 0.55288E-10 -10.2574 0.96234E+00 -0.0167 63 MnO,aq 0.20487E-14 -14.6885 0.20487E-14 -14.6885 0.10000E+01 0.0000 64 MnOH+ 0.95467E-11 -11.0201 0.91872E-11 -11.0368 0.96234E+00 -0.0167 66 HMnO2- 0.10079E-19 -19.9966 0.96986E-20 -20.0133 0.96231E+00 -0.0167 69 MnCl+ 0.39641E-11 -11.4019 0.38148E-11 -11.4185 0.96234E+00 -0.0167 70 MnSO4,aq 0.30929E-10 -10.5096 0.30929E-10 -10.5096 0.10000E+01 0.0000 71 NaCl,aq 0.67930E-08 -8.1679 0.67930E-08 -8.1679 0.10000E+01 0.0000 72 NaOH,aq 0.43192E-10 -10.3646 0.43192E-10 -10.3646 0.10000E+01 0.0000 74 OH- 0.39095E-06 -6.4079 0.37620E-06 -6.4246 0.96228E+00 -0.0167 82 H3PO4,aq 0.95825E-12 -12.0185 0.95825E-12 -12.0185 0.10000E+01 0.0000 83 H2PO4- 0.17101E-08 -8.7670 0.16457E-08 -8.7837 0.96232E+00 -0.0167 84 PO4-3 0.37758E-16 -16.4230 0.30858E-16 -16.5106 0.81727E+00 -0.0876 87 H2P2O7-2 0.23467E-18 -18.6295 0.21236E-18 -18.6729 0.90491E+00 -0.0434 88 HP2O7-3 0.33811E-19 -19.4709 0.27609E-19 -19.5589 0.81657E+00 -0.0880 96 SO2,aq 0.76862E-19 -19.1143 0.76862E-19 -19.1143 0.10000E+01 0.0000 97 SO3-2 0.10476E-17 -17.9798 0.94818E-18 -18.0231 0.90514E+00 -0.0433 98 HSO3- 0.94750E-16 -16.0234 0.91178E-16 -16.0401 0.96231E+00 -0.0167 99 HSO4- 0.35313E-07 -7.4521 0.33983E-07 -7.4687 0.96236E+00 -0.0167 Charge balance for all species = 0.7000E-15 Component Molality Aq.molality ppm log[A(N)/A(H+)**Z] (total) 1 H+ 0.1595806E-05 0.1097915E-04 0.1106621E-01 0.0000 2 H2O 0.1000000E+01 0.5550824E+02 0.9999872E+06 0.0000 3 Cl- 0.1379643E-03 0.1379742E-03 0.4891548E+01 1.9367 4 SO4-- 0.2537203E-04 0.2550449E-04 0.2449977E+01 6.9883 5 HCO3- 0.3142797E-05 0.1307000E-04 0.7974865E+00 0.2943 6 HS- 0.1772682E-22 -.2640617E-10 -.8732957E-06 -16.9544 7 Al+++ 0.3316835E-14 0.5075860E-07 0.1369529E-02 2.8737 8 H4SiO4 0.3121857E-05 0.3123835E-05 0.3002455E+00 -5.5056 9 Ca++ 0.1471432E-04 0.1481610E-04 0.5937936E+00 6.7516 10 Mg++ 0.2379764E-06 0.2380952E-06 0.5788511E-02 4.9604 11 Fe++ 0.1444800E-06 0.1476016E-06 0.8243023E-02 4.7437 12 K+ 0.6367141E-07 0.6369426E-07 0.2490547E-02 -1.3991 13 Na+ 0.1604407E-03 0.1604476E-03 0.3688619E+01 2.0023 14 Mn++ 0.5157137E-08 0.5201579E-08 0.2857614E-03 3.2963 15 HPO4-- 0.6418813E-10 0.1775273E-08 0.1703872E-03 1.3914 Component Tot moles Aq. moles Solid moles Gas moles 1 H+ 0.8072445E-05 0.1097915E-04 -.2906706E-05 0.0000000E+00 2 H2O 0.5550825E+02 0.5550824E+02 0.1921229E-05 0.0000000E+00 3 Cl- 0.1379742E-03 0.1379742E-03 0.0000000E+00 0.0000000E+00 4 SO4-- 0.2551278E-04 0.2550450E-04 0.8287616E-08 0.0000000E+00 5 HCO3- 0.1307000E-04 0.1307000E-04 0.0000000E+00 0.0000000E+00 6 HS- -.8314023E-08 -.2640617E-10 -.8287616E-08 0.0000000E+00 7 Al+++ 0.9782225E-06 0.5075861E-07 0.9274639E-06 0.0000000E+00 8 H4SiO4 0.3123835E-05 0.3123835E-05 0.0000000E+00 0.0000000E+00 9 Ca++ 0.1481610E-04 0.1481610E-04 0.0000000E+00 0.0000000E+00 10 Mg++ 0.2380952E-06 0.2380952E-06 0.0000000E+00 0.0000000E+00 11 Fe++ 0.2139026E-06 0.1476016E-06 0.6630093E-07 0.0000000E+00 12 K+ 0.6369427E-07 0.6369427E-07 0.0000000E+00 0.0000000E+00 13 Na+ 0.1604476E-03 0.1604476E-03 0.0000000E+00 0.0000000E+00 14 Mn++ 0.5201579E-08 0.5201579E-08 0.0000000E+00 0.0000000E+00 15 HPO4-- 0.1775273E-08 0.1775273E-08 0.0000000E+00 0.0000000E+00 Chg. balance for solid moles: -.2382E-21 Mass of aqueous solution: 0.100001E+04 g Temperature = 100.00 C Pressure = 50.00 bar Mixer frac. = 0.0003000 Log Log Vol Gas or mineral Moles Moles Grams Grams Wt.% (cm3) diaspore 0.9275E-06 -6.033 0.5564E-04 -4.255 91.31 0.1656E-04 hematite 0.3315E-07 -7.480 0.5294E-05 -5.276 8.688 0.1003E-05 Partial press. Fugacity coef Log fugacity Gas or Mineral Mole fraction or activity Activity coef Log activity diaspore 0.1000E+01 0.1000E+01 1.0000 0.000 hematite 0.1000E+01 0.1000E+01 1.0000 0.000 Solid products produced: Mass = 0.000061 g Volume = 0.000018 cm3 Porosity: 99.9982% V(tot) - V(min): 0.10001E+01 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: 0.0003000 g log = -3.5229 Original solution: 1000.0102895 g Original solution / Rock added: 3333367.63 (Water/Rock Ratio), log = 6.5229 Gas composition at saturation ( 2 iterations) ------------------------------------------------- Temperature: 100.0000 deg.C Sat. pressure: 1.0214 bar Gas Mole fraction phi Fugacity Partial P(bar) H2O,gas 0.9990E+00 0.9859 0.1006E+01 0.1020E+01 CO2,gas 0.1032E-02 1.0071 0.1062E-02 0.1054E-02 CH4,gas 0.3107E-26 1.0125 0.3213E-26 0.3173E-26 H2,gas 0.4083E-09 1.0005 0.4172E-09 0.4170E-09 H2S,gas 0.2188E-20 0.9960 0.2226E-20 0.2235E-20 S2,gas 0.1046E-41 1.0000 0.1068E-41 0.1068E-41 CO,gas 0.1156E-15 1.0000 0.1181E-15 0.1181E-15 SO3,gas 0.2005E-31 1.0000 0.2048E-31 0.2048E-31 SO2,gas 0.3254E-18 1.0000 0.3324E-18 0.3324E-18 HCl,gas 0.6455E-13 1.0000 0.6593E-13 0.6593E-13 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 65 diaspore 2.87 2.87 0.00 0.000 0.00000E+00 90 hematite 12.57 12.57 0.00 0.000 -0.90992E-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 -1.696 0.28965E+04 0.003 2 CO2,gas -6.66 -11.33 -4.67 -1.558 0.79788E+04 -2.974 3 CH4,gas 4.54 -23.65 -28.19 -7.048 0.48137E+05 -26.493 4 H2,gas 8.00 -3.08 -11.08 -6.331 0.18916E+05 -9.380 5 H2S,gas -6.23 -28.58 -22.35 -11.176 0.38165E+05 -20.653 6 S2,gas -7.34 -51.01 -43.67 -6.719 0.74566E+05 -41.971 7 CO,gas 3.21 -14.41 -17.63 -5.424 0.30097E+05 -15.928 8 SO3,gas 17.12 -16.27 -33.39 -8.347 0.57009E+05 -31.689 9 SO2,gas 0.83 -19.35 -20.18 -5.381 0.34452E+05 -18.478 10 HCl,gas 5.19 -9.69 -14.88 -7.440 0.25407E+05 -13.181 21 andalusite 5.00 0.24 -4.76 -0.476 0.81271E+04 24 anhydrite -5.32 -9.51 -4.20 -2.099 0.71678E+04 51 chloritoid-Fe 9.17 4.99 -4.19 -0.279 0.71511E+04 54 coesite -2.38 -5.51 -3.13 -1.043 0.53436E+04 59 corundum 8.38 5.75 -2.64 -0.240 0.45004E+04 61 cristobalite -2.56 -5.51 -2.95 -0.982 0.50289E+04 83 gibbsite 4.08 2.87 -1.21 -0.172 0.20585E+04 98 kaolinite -1.33 -5.26 -3.93 -0.357 0.67121E+04 99 kyanite 4.88 0.24 -4.63 -0.463 0.79130E+04 107 magnetite 20.09 17.31 -2.78 -0.227 0.47426E+04 147 quartz -2.99 -5.51 -2.52 -0.839 0.42963E+04 155 siderite -2.61 -6.59 -3.98 -1.327 0.67978E+04 177 topaz-H 4.62 0.24 -4.38 -0.398 0.74731E+04 178 tridymite -2.63 -5.51 -2.88 -0.960 0.49162E+04 192 akaganeite 7.75 6.28 -1.47 -0.318 0.25125E+04 199 chalcedony -2.80 -5.51 -2.70 -0.901 0.46156E+04 214 gypsum -4.96 -9.51 -4.56 -1.140 0.77854E+04 233 boehmite 4.41 2.87 -1.53 -0.255 0.26169E+04 240 silica-amorphous -2.09 -5.51 -3.41 -1.138 0.58297E+04 Calculations done for 100.0000 Deg. C; 50.0000 bar Next reactant titration increment of: 0.0001000 g Current total amount of reactant added: 0.0003000 g New total amount of reactant added: 0.0004000 g Solids and gases carried Charge balance check after fractionation or titration: TBAL = 0.7000E-15 ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ 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 = 0.0004000 Water: Moles liquid = 0.5551E+02 kg liquid = 0.1000E+01 Moles total = 0.5551E+02 kg total = 0.1000E+01 Activity = 1.0000 Stoichiometric ionic strength = .2380186E-03 Osmotic coef. = 0.9907 True ionic strength = .2334548E-03 Chg. balance for total moles = 0.7000E-15 Max. difference allowed = 0.1380E-07 Log Log Log Species(n) Molality Molality Activity Activity Gamma Gamma 1 H+ 0.13840E-05 -5.8589 0.13319E-05 -5.8755 0.96238E+00 -0.0167 2 H2O 0.10000E+01 0.0000 0.10000E+01 0.0000 3 Cl- 0.13796E-03 -3.8602 0.13276E-03 -3.8769 0.96228E+00 -0.0167 4 SO4-- 0.25376E-04 -4.5956 0.22961E-04 -4.6390 0.90484E+00 -0.0434 5 HCO3- 0.34953E-05 -5.4565 0.33636E-05 -5.4732 0.96230E+00 -0.0167 6 HS- 0.14636E-20 -20.8346 0.14084E-20 -20.8513 0.96228E+00 -0.0167 7 Al+++ 0.21638E-14 -14.6648 0.17664E-14 -14.7529 0.81635E+00 -0.0881 8 H4SiO4 0.41621E-05 -5.3807 0.41621E-05 -5.3807 0.10000E+01 0.0000 9 Ca++ 0.14828E-04 -4.8289 0.13416E-04 -4.8724 0.90473E+00 -0.0435 10 Mg++ 0.31729E-06 -6.4985 0.28704E-06 -6.5421 0.90465E+00 -0.0435 11 Fe++ 0.19206E-06 -6.7166 0.17375E-06 -6.7601 0.90467E+00 -0.0435 12 K+ 0.84895E-07 -7.0711 0.81695E-07 -7.0878 0.96231E+00 -0.0167 13 Na+ 0.16057E-03 -3.7943 0.15451E-03 -3.8110 0.96228E+00 -0.0167 14 Mn++ 0.68743E-08 -8.1628 0.62190E-08 -8.2063 0.90468E+00 -0.0435 15 HPO4-- 0.98160E-10 -10.0081 0.88819E-10 -10.0515 0.90484E+00 -0.0434 16 HSiO3- 0.30323E-08 -8.5182 0.29179E-08 -8.5349 0.96228E+00 -0.0167 17 Ca(HSiO3)+ 0.92639E-12 -12.0332 0.89148E-12 -12.0499 0.96231E+00 -0.0167 18 Mg(HSiO3)+ 0.24667E-13 -13.6079 0.23738E-13 -13.6246 0.96231E+00 -0.0167 19 NaHSiO3,aq 0.72917E-11 -11.1372 0.72917E-11 -11.1372 0.10000E+01 0.0000 20 AlO+ 0.14077E-09 -9.8515 0.13547E-09 -9.8682 0.96231E+00 -0.0167 21 AlOH+2 0.99307E-12 -12.0030 0.89843E-12 -12.0465 0.90470E+00 -0.0435 22 HAlO2,aq 0.20256E-07 -7.6935 0.20256E-07 -7.6935 0.10000E+01 0.0000 23 AlO2- 0.34986E-07 -7.4561 0.33665E-07 -7.4728 0.96225E+00 -0.0167 29 CO,aq 0.23870E-18 -18.6221 0.23870E-18 -18.6221 0.10000E+01 0.0000 30 CO2,aq 0.95732E-05 -5.0189 0.95725E-05 -5.0190 0.99993E+00 0.0000 31 CO3-2 0.24379E-09 -9.6130 0.22058E-09 -9.6564 0.90481E+00 -0.0434 32 CaCO3,aq 0.37106E-10 -10.4306 0.37106E-10 -10.4306 0.10000E+01 0.0000 33 Ca(HCO3)+ 0.11969E-08 -8.9219 0.11518E-08 -8.9386 0.96231E+00 -0.0167 34 CaCl+ 0.29952E-08 -8.5236 0.28823E-08 -8.5403 0.96231E+00 -0.0167 35 CaCl2,aq 0.90911E-13 -13.0414 0.90911E-13 -13.0414 0.10000E+01 0.0000 36 CaOH+ 0.74598E-09 -9.1273 0.71787E-09 -9.1440 0.96231E+00 -0.0167 37 CaSO4,aq 0.97816E-07 -7.0096 0.97816E-07 -7.0096 0.10000E+01 0.0000 38 HCl,aq 0.32402E-10 -10.4894 0.32402E-10 -10.4894 0.10000E+01 0.0000 42 Fe+3 0.23104E-19 -19.6363 0.18862E-19 -19.7244 0.81640E+00 -0.0881 43 FeCl+ 0.37942E-10 -10.4209 0.36512E-10 -10.4376 0.96231E+00 -0.0167 44 FeCl2,aq 0.15347E-18 -18.8140 0.15347E-18 -18.8140 0.10000E+01 0.0000 46 FeO,aq 0.38068E-11 -11.4194 0.38068E-11 -11.4194 0.10000E+01 0.0000 47 FeOH+ 0.44128E-08 -8.3553 0.42465E-08 -8.3720 0.96231E+00 -0.0167 48 HFeO2- 0.31078E-13 -13.5075 0.29906E-13 -13.5242 0.96228E+00 -0.0167 49 FeO+ 0.10564E-10 -10.9762 0.10166E-10 -10.9928 0.96231E+00 -0.0167 50 FeOH+2 0.28582E-14 -14.5439 0.25858E-14 -14.5874 0.90470E+00 -0.0435 51 FeO2- 0.12186E-11 -11.9141 0.11727E-11 -11.9308 0.96228E+00 -0.0167 52 HFeO2,aq 0.19864E-09 -9.7019 0.19864E-09 -9.7019 0.10000E+01 0.0000 53 H2,aq 0.99274E-12 -12.0032 0.99266E-12 -12.0032 0.99993E+00 0.0000 54 KCl,aq 0.19657E-12 -12.7065 0.19657E-12 -12.7065 0.10000E+01 0.0000 55 KHSO4,aq 0.70639E-17 -17.1510 0.70639E-17 -17.1510 0.10000E+01 0.0000 56 KOH,aq 0.26195E-13 -13.5818 0.26195E-13 -13.5818 0.10000E+01 0.0000 57 KSO4- 0.30249E-10 -10.5193 0.29108E-10 -10.5360 0.96228E+00 -0.0167 58 MgCO3,aq 0.19900E-12 -12.7012 0.19900E-12 -12.7012 0.10000E+01 0.0000 59 Mg(HCO3)+ 0.26168E-10 -10.5822 0.25182E-10 -10.5989 0.96231E+00 -0.0167 60 MgCl+ 0.58082E-10 -10.2360 0.55893E-10 -10.2526 0.96231E+00 -0.0167 61 MgOH+ 0.88319E-10 -10.0539 0.84991E-10 -10.0706 0.96231E+00 -0.0167 63 MnO,aq 0.36306E-14 -14.4400 0.36306E-14 -14.4400 0.10000E+01 0.0000 64 MnOH+ 0.14672E-10 -10.8335 0.14119E-10 -10.8502 0.96231E+00 -0.0167 66 HMnO2- 0.20596E-19 -19.6862 0.19819E-19 -19.7029 0.96228E+00 -0.0167 69 MnCl+ 0.52834E-11 -11.2771 0.50842E-11 -11.2938 0.96231E+00 -0.0167 70 MnSO4,aq 0.41224E-10 -10.3848 0.41224E-10 -10.3848 0.10000E+01 0.0000 71 NaCl,aq 0.67980E-08 -8.1676 0.67980E-08 -8.1676 0.10000E+01 0.0000 72 NaOH,aq 0.49842E-10 -10.3024 0.49842E-10 -10.3024 0.10000E+01 0.0000 74 OH- 0.45082E-06 -6.3460 0.43380E-06 -6.3627 0.96225E+00 -0.0167 82 H3PO4,aq 0.11020E-11 -11.9578 0.11020E-11 -11.9578 0.10000E+01 0.0000 83 H2PO4- 0.22678E-08 -8.6444 0.21823E-08 -8.6611 0.96230E+00 -0.0167 84 PO4-3 0.66591E-16 -16.1766 0.54409E-16 -16.2643 0.81706E+00 -0.0877 87 H2P2O7-2 0.41270E-18 -18.3844 0.37341E-18 -18.4278 0.90481E+00 -0.0434 88 HP2O7-3 0.68575E-19 -19.1638 0.55982E-19 -19.2520 0.81636E+00 -0.0881 96 SO2,aq 0.18057E-18 -18.7434 0.18057E-18 -18.7434 0.10000E+01 0.0000 97 SO3-2 0.32727E-17 -17.4851 0.29619E-17 -17.5284 0.90504E+00 -0.0433 98 HSO3- 0.25668E-15 -15.5906 0.24700E-15 -15.6073 0.96228E+00 -0.0167 99 HSO4- 0.30626E-07 -7.5139 0.29472E-07 -7.5306 0.96233E+00 -0.0167 Charge balance for all species = 0.7000E-15 Component Molality Aq.molality ppm log[A(N)/A(H+)**Z] (total) 1 H+ 0.1383953E-05 0.1032922E-04 0.1041113E-01 0.0000 2 H2O 0.1000000E+01 0.5550824E+02 0.9999871E+06 0.0000 3 Cl- 0.1379642E-03 0.1379742E-03 0.4891547E+01 1.9986 4 SO4-- 0.2537596E-04 0.2550450E-04 0.2449977E+01 7.1121 5 HCO3- 0.3495316E-05 0.1307000E-04 0.7974864E+00 0.4023 6 HS- 0.1463635E-20 -.2605536E-10 -.8616938E-06 -14.9757 7 Al+++ 0.2163827E-14 0.5538302E-07 0.1494301E-02 2.8737 8 H4SiO4 0.4162073E-05 0.4165113E-05 0.4003273E+00 -5.3807 9 Ca++ 0.1482832E-04 0.1493112E-04 0.5984030E+00 6.8787 10 Mg++ 0.3172875E-06 0.3174603E-06 0.7718014E-02 5.2090 11 Fe++ 0.1920639E-06 0.1967290E-06 0.1098661E-01 4.9910 12 K+ 0.8489522E-07 0.8492569E-07 0.3320729E-02 -1.2123 13 Na+ 0.1605662E-03 0.1605731E-03 0.3691505E+01 2.0645 14 Mn++ 0.6874255E-08 0.6935438E-08 0.3810151E-03 3.5448 15 HPO4-- 0.9815985E-10 0.2367031E-08 0.2271829E-03 1.6996 Component Tot moles Aq. moles Solid moles Gas moles 1 H+ 0.6416594E-05 0.1032922E-04 -.3912630E-05 0.0000000E+00 2 H2O 0.5550825E+02 0.5550824E+02 0.2586302E-05 0.0000000E+00 3 Cl- 0.1379742E-03 0.1379742E-03 0.0000000E+00 0.0000000E+00 4 SO4-- 0.2551556E-04 0.2550450E-04 0.1105931E-07 0.0000000E+00 5 HCO3- 0.1307000E-04 0.1307000E-04 0.0000000E+00 0.0000000E+00 6 HS- -.1108536E-07 -.2605536E-10 -.1105931E-07 0.0000000E+00 7 Al+++ 0.1304297E-05 0.5538302E-07 0.1248914E-05 0.0000000E+00 8 H4SiO4 0.4165113E-05 0.4165113E-05 0.0000000E+00 0.0000000E+00 9 Ca++ 0.1493112E-04 0.1493112E-04 0.0000000E+00 0.0000000E+00 10 Mg++ 0.3174603E-06 0.3174603E-06 0.0000000E+00 0.0000000E+00 11 Fe++ 0.2852034E-06 0.1967290E-06 0.8847446E-07 0.0000000E+00 12 K+ 0.8492569E-07 0.8492569E-07 0.0000000E+00 0.0000000E+00 13 Na+ 0.1605731E-03 0.1605731E-03 0.0000000E+00 0.0000000E+00 14 Mn++ 0.6935438E-08 0.6935438E-08 0.0000000E+00 0.0000000E+00 15 HPO4-- 0.2367031E-08 0.2367031E-08 0.0000000E+00 0.0000000E+00 Chg. balance for solid moles: -.5029E-21 Mass of aqueous solution: 0.100001E+04 g Temperature = 100.00 C Pressure = 50.00 bar Mixer frac. = 0.0004000 Log Log Vol Gas or mineral Moles Moles Grams Grams Wt.% (cm3) diaspore 0.1249E-05 -5.903 0.7492E-04 -4.125 91.38 0.2230E-04 hematite 0.4424E-07 -7.354 0.7065E-05 -5.151 8.617 0.1339E-05 Partial press. Fugacity coef Log fugacity Gas or Mineral Mole fraction or activity Activity coef Log activity diaspore 0.1000E+01 0.1000E+01 1.0000 0.000 hematite 0.1000E+01 0.1000E+01 1.0000 0.000 Solid products produced: Mass = 0.000082 g Volume = 0.000024 cm3 Porosity: 99.9976% V(tot) - V(min): 0.10001E+01 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: 0.0004000 g log = -3.3979 Original solution: 1000.0102895 g Original solution / Rock added: 2500025.72 (Water/Rock Ratio), log = 6.3979 Gas composition at saturation ( 2 iterations) ------------------------------------------------- Temperature: 100.0000 deg.C Sat. pressure: 1.0213 bar Gas Mole fraction phi Fugacity Partial P(bar) H2O,gas 0.9990E+00 0.9859 0.1006E+01 0.1020E+01 CO2,gas 0.9957E-03 1.0071 0.1024E-02 0.1017E-02 CH4,gas 0.2853E-24 1.0125 0.2950E-24 0.2914E-24 H2,gas 0.1275E-08 1.0005 0.1303E-08 0.1303E-08 H2S,gas 0.1567E-18 0.9960 0.1594E-18 0.1600E-18 S2,gas 0.5496E-39 1.0000 0.5613E-39 0.5613E-39 CO,gas 0.3483E-15 1.0000 0.3557E-15 0.3557E-15 SO3,gas 0.1508E-31 1.0000 0.1540E-31 0.1540E-31 SO2,gas 0.7646E-18 1.0000 0.7809E-18 0.7809E-18 HCl,gas 0.5598E-13 1.0000 0.5717E-13 0.5717E-13 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 65 diaspore 2.87 2.87 0.00 0.000 0.00000E+00 90 hematite 12.57 12.57 0.00 0.000 -0.76312E-08 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 -1.696 0.28965E+04 0.003 2 CO2,gas -6.66 -11.35 -4.69 -1.563 0.80057E+04 -2.990 3 CH4,gas 4.54 -21.69 -26.23 -6.557 0.44786E+05 -24.530 4 H2,gas 8.00 -2.58 -10.58 -6.048 0.18072E+05 -8.885 5 H2S,gas -6.23 -26.73 -20.50 -10.248 0.34997E+05 -18.798 6 S2,gas -7.34 -48.29 -40.95 -6.300 0.69921E+05 -39.251 7 CO,gas 3.21 -13.93 -17.15 -5.276 0.29280E+05 -15.449 8 SO3,gas 17.12 -16.39 -33.51 -8.378 0.57220E+05 -31.812 9 SO2,gas 0.83 -18.97 -19.81 -5.282 0.33819E+05 -18.107 10 HCl,gas 5.19 -9.75 -14.94 -7.471 0.25513E+05 -13.243 21 andalusite 5.00 0.37 -4.63 -0.463 0.79138E+04 24 anhydrite -5.32 -9.51 -4.19 -2.097 0.71622E+04 51 chloritoid-Fe 9.17 5.36 -3.82 -0.254 0.65156E+04 54 coesite -2.38 -5.38 -3.00 -1.002 0.51303E+04 59 corundum 8.38 5.75 -2.64 -0.240 0.45004E+04 61 cristobalite -2.56 -5.38 -2.82 -0.940 0.48157E+04 83 gibbsite 4.08 2.87 -1.21 -0.172 0.20585E+04 98 kaolinite -1.33 -5.01 -3.68 -0.335 0.62856E+04 99 kyanite 4.88 0.37 -4.51 -0.451 0.76997E+04 107 magnetite 20.09 17.56 -2.53 -0.207 0.43203E+04 147 quartz -2.99 -5.38 -2.39 -0.797 0.40830E+04 155 siderite -2.61 -6.36 -3.75 -1.250 0.64023E+04 156 sillimanite 5.26 0.37 -4.89 -0.489 0.83578E+04 177 topaz-H 4.62 0.37 -4.25 -0.387 0.72598E+04 178 tridymite -2.63 -5.38 -2.75 -0.918 0.47030E+04 192 akaganeite 7.75 6.28 -1.47 -0.318 0.25125E+04 199 chalcedony -2.80 -5.38 -2.58 -0.859 0.44023E+04 214 gypsum -4.96 -9.51 -4.56 -1.139 0.77797E+04 233 boehmite 4.41 2.87 -1.53 -0.255 0.26169E+04 235 ferrous-oxide 9.81 4.99 -4.82 -1.205 0.82310E+04 240 silica-amorphous -2.09 -5.38 -3.29 -1.096 0.56165E+04 Calculations done for 100.0000 Deg. C; 50.0000 bar Next reactant titration increment of: 0.0001000 g Current total amount of reactant added: 0.0004000 g New total amount of reactant added: 0.0005000 g Solids and gases carried Charge balance check after fractionation or titration: TBAL = 0.7000E-15 ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ 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 = 0.0005000 Water: Moles liquid = 0.5551E+02 kg liquid = 0.1000E+01 Moles total = 0.5551E+02 kg total = 0.1000E+01 Activity = 1.0000 Stoichiometric ionic strength = .2386074E-03 Osmotic coef. = 0.9907 True ionic strength = .2341516E-03 Chg. balance for total moles = 0.7000E-15 Max. difference allowed = 0.1380E-07 Log Log Log Species(n) Molality Molality Activity Activity Gamma Gamma 1 H+ 0.12018E-05 -5.9202 0.11566E-05 -5.9368 0.96235E+00 -0.0167 2 H2O 0.10000E+01 0.0000 0.10000E+01 0.0000 3 Cl- 0.13796E-03 -3.8602 0.13276E-03 -3.8769 0.96225E+00 -0.0167 4 SO4-- 0.25379E-04 -4.5955 0.22961E-04 -4.6390 0.90473E+00 -0.0435 5 HCO3- 0.38683E-05 -5.4125 0.37224E-05 -5.4292 0.96228E+00 -0.0167 6 HS- 0.70452E-19 -19.1521 0.67793E-19 -19.1688 0.96225E+00 -0.0167 7 Al+++ 0.14173E-14 -14.8485 0.11567E-14 -14.9368 0.81613E+00 -0.0882 8 H4SiO4 0.52020E-05 -5.2838 0.52020E-05 -5.2838 0.10000E+01 0.0000 9 Ca++ 0.14942E-04 -4.8256 0.13517E-04 -4.8691 0.90462E+00 -0.0435 10 Mg++ 0.39659E-06 -6.4017 0.35873E-06 -6.4452 0.90455E+00 -0.0436 11 Fe++ 0.23926E-06 -6.6211 0.21643E-06 -6.6647 0.90456E+00 -0.0436 12 K+ 0.10612E-06 -6.9742 0.10212E-06 -6.9909 0.96228E+00 -0.0167 13 Na+ 0.16069E-03 -3.7940 0.15463E-03 -3.8107 0.96225E+00 -0.0167 14 Mn++ 0.85901E-08 -8.0660 0.77704E-08 -8.1096 0.90458E+00 -0.0436 15 HPO4-- 0.14044E-09 -9.8525 0.12706E-09 -9.8960 0.90473E+00 -0.0435 16 HSiO3- 0.43645E-08 -8.3601 0.41998E-08 -8.3768 0.96225E+00 -0.0167 17 Ca(HSiO3)+ 0.13435E-11 -11.8718 0.12928E-11 -11.8885 0.96228E+00 -0.0167 18 Mg(HSiO3)+ 0.44374E-13 -13.3529 0.42700E-13 -13.3696 0.96228E+00 -0.0167 19 NaHSiO3,aq 0.10503E-10 -10.9787 0.10503E-10 -10.9787 0.10000E+01 0.0000 20 AlO+ 0.12225E-09 -9.9128 0.11764E-09 -9.9295 0.96228E+00 -0.0167 21 AlOH+2 0.74893E-12 -12.1256 0.67747E-12 -12.1691 0.90459E+00 -0.0435 22 HAlO2,aq 0.20256E-07 -7.6935 0.20256E-07 -7.6935 0.10000E+01 0.0000 23 AlO2- 0.40290E-07 -7.3948 0.38768E-07 -7.4115 0.96222E+00 -0.0167 29 CO,aq 0.62593E-18 -18.2035 0.62593E-18 -18.2035 0.10000E+01 0.0000 30 CO2,aq 0.91999E-05 -5.0362 0.91993E-05 -5.0362 0.99993E+00 0.0000 31 CO3-2 0.31074E-09 -9.5076 0.28112E-09 -9.5511 0.90470E+00 -0.0435 32 CaCO3,aq 0.47647E-10 -10.3220 0.47647E-10 -10.3220 0.10000E+01 0.0000 33 Ca(HCO3)+ 0.13347E-08 -8.8746 0.12844E-08 -8.8913 0.96228E+00 -0.0167 34 CaCl+ 0.30178E-08 -8.5203 0.29040E-08 -8.5370 0.96228E+00 -0.0167 35 CaCl2,aq 0.91593E-13 -13.0381 0.91593E-13 -13.0381 0.10000E+01 0.0000 36 CaOH+ 0.86559E-09 -9.0627 0.83294E-09 -9.0794 0.96228E+00 -0.0167 37 CaSO4,aq 0.98557E-07 -7.0063 0.98557E-07 -7.0063 0.10000E+01 0.0000 38 HCl,aq 0.28136E-10 -10.5507 0.28136E-10 -10.5507 0.10000E+01 0.0000 42 Fe+3 0.15133E-19 -19.8201 0.12351E-19 -19.9083 0.81618E+00 -0.0882 43 FeCl+ 0.47261E-10 -10.3255 0.45478E-10 -10.3422 0.96228E+00 -0.0167 44 FeCl2,aq 0.19115E-18 -18.7186 0.19115E-18 -18.7186 0.10000E+01 0.0000 46 FeO,aq 0.62883E-11 -11.2015 0.62883E-11 -11.2015 0.10000E+01 0.0000 47 FeOH+ 0.63300E-08 -8.1986 0.60912E-08 -8.2153 0.96228E+00 -0.0167 48 HFeO2- 0.59120E-13 -13.2283 0.56888E-13 -13.2450 0.96225E+00 -0.0167 49 FeO+ 0.91740E-11 -11.0374 0.88280E-11 -11.0541 0.96228E+00 -0.0167 50 FeOH+2 0.21555E-14 -14.6665 0.19498E-14 -14.7100 0.90459E+00 -0.0435 51 FeO2- 0.14034E-11 -11.8528 0.13504E-11 -11.8695 0.96225E+00 -0.0167 52 HFeO2,aq 0.19864E-09 -9.7019 0.19864E-09 -9.7019 0.10000E+01 0.0000 53 H2,aq 0.27087E-11 -11.5672 0.27085E-11 -11.5673 0.99993E+00 0.0000 54 KCl,aq 0.24570E-12 -12.6096 0.24570E-12 -12.6096 0.10000E+01 0.0000 55 KHSO4,aq 0.76674E-17 -17.1154 0.76674E-17 -17.1154 0.10000E+01 0.0000 56 KOH,aq 0.37706E-13 -13.4236 0.37706E-13 -13.4236 0.10000E+01 0.0000 57 KSO4- 0.37812E-10 -10.4224 0.36385E-10 -10.4391 0.96225E+00 -0.0167 58 MgCO3,aq 0.31696E-12 -12.4990 0.31696E-12 -12.4990 0.10000E+01 0.0000 59 Mg(HCO3)+ 0.36195E-10 -10.4414 0.34830E-10 -10.4580 0.96228E+00 -0.0167 60 MgCl+ 0.72590E-10 -10.1391 0.69852E-10 -10.1558 0.96228E+00 -0.0167 61 MgOH+ 0.12712E-09 -9.8958 0.12232E-09 -9.9125 0.96228E+00 -0.0167 63 MnO,aq 0.60157E-14 -14.2207 0.60157E-14 -14.2207 0.10000E+01 0.0000 64 MnOH+ 0.21112E-10 -10.6755 0.20316E-10 -10.6922 0.96228E+00 -0.0167 66 HMnO2- 0.39302E-19 -19.4056 0.37818E-19 -19.4223 0.96225E+00 -0.0167 69 MnCl+ 0.66013E-11 -11.1804 0.63523E-11 -11.1971 0.96228E+00 -0.0167 70 MnSO4,aq 0.51508E-10 -10.2881 0.51508E-10 -10.2881 0.10000E+01 0.0000 71 NaCl,aq 0.68029E-08 -8.1673 0.68029E-08 -8.1673 0.10000E+01 0.0000 72 NaOH,aq 0.57441E-10 -10.2408 0.57441E-10 -10.2408 0.10000E+01 0.0000 74 OH- 0.51917E-06 -6.2847 0.49956E-06 -6.3014 0.96222E+00 -0.0167 82 H3PO4,aq 0.11887E-11 -11.9249 0.11887E-11 -11.9249 0.10000E+01 0.0000 83 H2PO4- 0.28172E-08 -8.5502 0.27109E-08 -8.5669 0.96227E+00 -0.0167 84 PO4-3 0.10973E-15 -15.9597 0.89632E-16 -16.0475 0.81684E+00 -0.0879 87 H2P2O7-2 0.63692E-18 -18.1959 0.57622E-18 -18.2394 0.90470E+00 -0.0435 88 HP2O7-3 0.12189E-18 -18.9140 0.99481E-19 -19.0023 0.81614E+00 -0.0882 90 H2S,aq 0.24234E-18 -18.6156 0.24233E-18 -18.6156 0.99993E+00 0.0000 96 SO2,aq 0.37153E-18 -18.4300 0.37153E-18 -18.4300 0.10000E+01 0.0000 97 SO3-2 0.89309E-17 -17.0491 0.80818E-17 -17.0925 0.90493E+00 -0.0434 98 HSO3- 0.60821E-15 -15.2159 0.58525E-15 -15.2327 0.96225E+00 -0.0167 99 HSO4- 0.26596E-07 -7.5752 0.25593E-07 -7.5919 0.96230E+00 -0.0167 Charge balance for all species = 0.7000E-15 Component Molality Aq.molality ppm log[A(N)/A(H+)**Z] (total) 1 H+ 0.1201816E-05 0.9677317E-05 0.9754052E-02 0.0000 2 H2O 0.1000000E+01 0.5550824E+02 0.9999870E+06 0.0000 3 Cl- 0.1379642E-03 0.1379742E-03 0.4891547E+01 2.0599 4 SO4-- 0.2537923E-04 0.2550450E-04 0.2449977E+01 7.2347 5 HCO3- 0.3868335E-05 0.1307000E-04 0.7974864E+00 0.5077 6 HS- 0.7045191E-19 -.2547549E-10 -.8425164E-06 -13.2320 7 Al+++ 0.1417266E-14 0.6066875E-07 0.1636917E-02 2.8737 8 H4SiO4 0.5202015E-05 0.5206392E-05 0.5004091E+00 -5.2838 9 Ca++ 0.1494231E-04 0.1504613E-04 0.6030125E+00 7.0045 10 Mg++ 0.3965891E-06 0.3968254E-06 0.9647517E-02 5.4284 11 Fe++ 0.2392617E-06 0.2458545E-06 0.1373009E-01 5.2090 12 K+ 0.1061190E-06 0.1061571E-06 0.4150911E-02 -1.0541 13 Na+ 0.1606918E-03 0.1606986E-03 0.3694390E+01 2.1261 14 Mn++ 0.8590071E-08 0.8669298E-08 0.4762689E-03 3.7641 15 HPO4-- 0.1404372E-09 0.2958788E-08 0.2839785E-03 1.9777 Component Tot moles Aq. moles Solid moles Gas moles 1 H+ 0.4760742E-05 0.9677317E-05 -.4916575E-05 0.0000000E+00 2 H2O 0.5550824E+02 0.5550824E+02 0.3250054E-05 0.0000000E+00 3 Cl- 0.1379742E-03 0.1379742E-03 0.0000000E+00 0.0000000E+00 4 SO4-- 0.2551833E-04 0.2550450E-04 0.1383123E-07 0.0000000E+00 5 HCO3- 0.1307000E-04 0.1307000E-04 0.0000000E+00 0.0000000E+00 6 HS- -.1385670E-07 -.2547549E-10 -.1383123E-07 0.0000000E+00 7 Al+++ 0.1630371E-05 0.6066875E-07 0.1569702E-05 0.0000000E+00 8 H4SiO4 0.5206391E-05 0.5206391E-05 0.0000000E+00 0.0000000E+00 9 Ca++ 0.1504613E-04 0.1504613E-04 0.0000000E+00 0.0000000E+00 10 Mg++ 0.3968254E-06 0.3968254E-06 0.0000000E+00 0.0000000E+00 11 Fe++ 0.3565043E-06 0.2458545E-06 0.1106498E-06 0.0000000E+00 12 K+ 0.1061571E-06 0.1061571E-06 0.0000000E+00 0.0000000E+00 13 Na+ 0.1606986E-03 0.1606986E-03 0.0000000E+00 0.0000000E+00 14 Mn++ 0.8669298E-08 0.8669298E-08 0.0000000E+00 0.0000000E+00 15 HPO4-- 0.2958788E-08 0.2958788E-08 0.0000000E+00 0.0000000E+00 Chg. balance for solid moles: -.5029E-21 Mass of aqueous solution: 0.100001E+04 g Temperature = 100.00 C Pressure = 50.00 bar Mixer frac. = 0.0005000 Log Log Vol Gas or mineral Moles Moles Grams Grams Wt.% (cm3) diaspore 0.1570E-05 -5.804 0.9417E-04 -4.026 91.42 0.2803E-04 hematite 0.5532E-07 -7.257 0.8835E-05 -5.054 8.578 0.1675E-05 Partial press. Fugacity coef Log fugacity Gas or Mineral Mole fraction or activity Activity coef Log activity diaspore 0.1000E+01 0.1000E+01 1.0000 0.000 hematite 0.1000E+01 0.1000E+01 1.0000 0.000 Solid products produced: Mass = 0.000103 g Volume = 0.000030 cm3 Porosity: 99.9970% V(tot) - V(min): 0.10002E+01 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: 0.0005000 g log = -3.3010 Original solution: 1000.0102895 g Original solution / Rock added: 2000020.58 (Water/Rock Ratio), log = 6.3010 Gas composition at saturation ( 2 iterations) ------------------------------------------------- Temperature: 100.0000 deg.C Sat. pressure: 1.0213 bar Gas Mole fraction phi Fugacity Partial P(bar) H2O,gas 0.9990E+00 0.9859 0.1006E+01 0.1020E+01 CO2,gas 0.9569E-03 1.0071 0.9842E-03 0.9773E-03 CH4,gas 0.1520E-22 1.0125 0.1571E-22 0.1552E-22 H2,gas 0.3480E-08 1.0005 0.3556E-08 0.3554E-08 H2S,gas 0.6549E-17 0.9960 0.6661E-17 0.6688E-17 S2,gas 0.1290E-36 1.0000 0.1317E-36 0.1317E-36 CO,gas 0.9133E-15 1.0000 0.9328E-15 0.9328E-15 SO3,gas 0.1137E-31 1.0000 0.1161E-31 0.1161E-31 SO2,gas 0.1573E-17 1.0000 0.1607E-17 0.1607E-17 HCl,gas 0.4861E-13 1.0000 0.4965E-13 0.4965E-13 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 65 diaspore 2.87 2.87 0.00 0.000 0.30331E-11 90 hematite 12.57 12.57 0.00 0.000 -0.39430E-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 -1.696 0.28965E+04 0.003 2 CO2,gas -6.66 -11.37 -4.71 -1.569 0.80352E+04 -3.007 3 CH4,gas 4.54 -19.96 -24.50 -6.126 0.41838E+05 -22.804 4 H2,gas 8.00 -2.15 -10.15 -5.799 0.17327E+05 -8.449 5 H2S,gas -6.23 -25.11 -18.88 -9.438 0.32229E+05 -17.176 6 S2,gas -7.34 -45.91 -38.58 -5.935 0.65873E+05 -36.880 7 CO,gas 3.21 -13.51 -16.73 -5.147 0.28565E+05 -15.030 8 SO3,gas 17.12 -16.51 -33.63 -8.409 0.57429E+05 -31.935 9 SO2,gas 0.83 -18.66 -19.49 -5.198 0.33284E+05 -17.794 10 HCl,gas 5.19 -9.81 -15.00 -7.502 0.25617E+05 -13.304 21 andalusite 5.00 0.46 -4.54 -0.454 0.77484E+04 24 anhydrite -5.32 -9.51 -4.19 -2.096 0.71566E+04 51 chloritoid-Fe 9.17 5.67 -3.50 -0.233 0.59780E+04 54 coesite -2.38 -5.28 -2.91 -0.969 0.49649E+04 59 corundum 8.38 5.75 -2.64 -0.240 0.45004E+04 61 cristobalite -2.56 -5.28 -2.72 -0.908 0.46503E+04 83 gibbsite 4.08 2.87 -1.21 -0.172 0.20585E+04 98 kaolinite -1.33 -4.82 -3.49 -0.317 0.59548E+04 99 kyanite 4.88 0.46 -4.41 -0.441 0.75343E+04 107 magnetite 20.09 17.78 -2.31 -0.189 0.39481E+04 147 quartz -2.99 -5.28 -2.29 -0.765 0.39176E+04 155 siderite -2.61 -6.16 -3.55 -1.183 0.60596E+04 156 sillimanite 5.26 0.46 -4.80 -0.480 0.81924E+04 177 topaz-H 4.62 0.46 -4.15 -0.378 0.70944E+04 178 tridymite -2.63 -5.28 -2.66 -0.886 0.45376E+04 192 akaganeite 7.75 6.28 -1.47 -0.318 0.25125E+04 199 chalcedony -2.80 -5.28 -2.48 -0.827 0.42369E+04 214 gypsum -4.96 -9.51 -4.55 -1.138 0.77741E+04 233 boehmite 4.41 2.87 -1.53 -0.255 0.26169E+04 235 ferrous-oxide 9.81 5.21 -4.60 -1.151 0.78588E+04 240 silica-amorphous -2.09 -5.28 -3.19 -1.064 0.54511E+04 Calculations done for 100.0000 Deg. C; 50.0000 bar Next reactant titration increment of: 0.0001000 g Current total amount of reactant added: 0.0005000 g New total amount of reactant added: 0.0006000 g Solids and gases carried Charge balance check after fractionation or titration: TBAL = 0.7000E-15 ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ 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 = 0.0006000 Water: Moles liquid = 0.5551E+02 kg liquid = 0.1000E+01 Moles total = 0.5551E+02 kg total = 0.1000E+01 Activity = 1.0000 Stoichiometric ionic strength = .2391994E-03 Osmotic coef. = 0.9907 True ionic strength = .2348731E-03 Chg. balance for total moles = 0.7000E-15 Max. difference allowed = 0.1380E-07 Log Log Log Species(n) Molality Molality Activity Activity Gamma Gamma 1 H+ 0.10458E-05 -5.9805 0.10064E-05 -5.9972 0.96232E+00 -0.0167 2 H2O 0.10000E+01 0.0000 0.10000E+01 0.0000 3 Cl- 0.13796E-03 -3.8602 0.13275E-03 -3.8770 0.96222E+00 -0.0167 4 SO4-- 0.25382E-04 -4.5955 0.22961E-04 -4.6390 0.90462E+00 -0.0435 5 HCO3- 0.42574E-05 -5.3709 0.40967E-05 -5.3876 0.96225E+00 -0.0167 6 HS- 0.23620E-17 -17.6267 0.22728E-17 -17.6434 0.96222E+00 -0.0167 7 Al+++ 0.93414E-15 -15.0296 0.76217E-15 -15.1179 0.81591E+00 -0.0884 8 H4SiO4 0.62416E-05 -5.2047 0.62416E-05 -5.2047 0.10000E+01 0.0000 9 Ca++ 0.15056E-04 -4.8223 0.13618E-04 -4.8659 0.90451E+00 -0.0436 10 Mg++ 0.47588E-06 -6.3225 0.43040E-06 -6.3661 0.90443E+00 -0.0436 11 Fe++ 0.28601E-06 -6.5436 0.25868E-06 -6.5872 0.90445E+00 -0.0436 12 K+ 0.12734E-06 -6.8950 0.12254E-06 -6.9117 0.96225E+00 -0.0167 13 Na+ 0.16082E-03 -3.7937 0.15474E-03 -3.8104 0.96222E+00 -0.0167 14 Mn++ 0.10304E-07 -7.9870 0.93199E-08 -8.0306 0.90446E+00 -0.0436 15 HPO4-- 0.19233E-09 -9.7160 0.17399E-09 -9.7595 0.90462E+00 -0.0435 16 HSiO3- 0.60182E-08 -8.2205 0.57908E-08 -8.2373 0.96222E+00 -0.0167 17 Ca(HSiO3)+ 0.18664E-11 -11.7290 0.17960E-11 -11.7457 0.96225E+00 -0.0167 18 Mg(HSiO3)+ 0.73411E-13 -13.1342 0.70640E-13 -13.1510 0.96225E+00 -0.0167 19 NaHSiO3,aq 0.14493E-10 -10.8388 0.14493E-10 -10.8388 0.10000E+01 0.0000 20 AlO+ 0.10638E-09 -9.9731 0.10237E-09 -9.9898 0.96225E+00 -0.0167 21 AlOH+2 0.56718E-12 -12.2463 0.51300E-12 -12.2899 0.90448E+00 -0.0436 22 HAlO2,aq 0.20256E-07 -7.6935 0.20256E-07 -7.6935 0.10000E+01 0.0000 23 AlO2- 0.46302E-07 -7.3344 0.44551E-07 -7.3511 0.96219E+00 -0.0167 29 CO,aq 0.14934E-17 -17.8258 0.14934E-17 -17.8258 0.10000E+01 0.0000 30 CO2,aq 0.88106E-05 -5.0550 0.88100E-05 -5.0550 0.99993E+00 0.0000 31 CO3-2 0.39304E-09 -9.4056 0.35554E-09 -9.4491 0.90459E+00 -0.0436 32 CaCO3,aq 0.60712E-10 -10.2167 0.60712E-10 -10.2167 0.10000E+01 0.0000 33 Ca(HCO3)+ 0.14800E-08 -8.8297 0.14241E-08 -8.8465 0.96225E+00 -0.0167 34 CaCl+ 0.30405E-08 -8.5171 0.29257E-08 -8.5338 0.96225E+00 -0.0167 35 CaCl2,aq 0.92274E-13 -13.0349 0.92274E-13 -13.0349 0.10000E+01 0.0000 36 CaOH+ 0.10022E-08 -8.9990 0.96438E-09 -9.0158 0.96225E+00 -0.0167 37 CaSO4,aq 0.99295E-07 -7.0031 0.99295E-07 -7.0031 0.10000E+01 0.0000 38 HCl,aq 0.24483E-10 -10.6111 0.24483E-10 -10.6111 0.10000E+01 0.0000 43 FeCl+ 0.56487E-10 -10.2481 0.54355E-10 -10.2648 0.96225E+00 -0.0167 44 FeCl2,aq 0.22845E-18 -18.6412 0.22845E-18 -18.6412 0.10000E+01 0.0000 46 FeO,aq 0.99255E-11 -11.0032 0.99255E-11 -11.0032 0.10000E+01 0.0000 47 FeOH+ 0.86946E-08 -8.0608 0.83664E-08 -8.0775 0.96225E+00 -0.0167 48 HFeO2- 0.10724E-12 -12.9696 0.10319E-12 -12.9864 0.96222E+00 -0.0167 49 FeO+ 0.79834E-11 -11.0978 0.76820E-11 -11.1145 0.96225E+00 -0.0167 50 FeOH+2 0.16324E-14 -14.7872 0.14765E-14 -14.8308 0.90448E+00 -0.0436 51 FeO2- 0.16128E-11 -11.7924 0.15519E-11 -11.8091 0.96222E+00 -0.0167 52 HFeO2,aq 0.19864E-09 -9.7019 0.19864E-09 -9.7019 0.10000E+01 0.0000 53 H2,aq 0.67486E-11 -11.1708 0.67481E-11 -11.1708 0.99993E+00 0.0000 54 KCl,aq 0.29482E-12 -12.5304 0.29482E-12 -12.5304 0.10000E+01 0.0000 55 KHSO4,aq 0.80061E-17 -17.0966 0.80061E-17 -17.0966 0.10000E+01 0.0000 56 KOH,aq 0.51995E-13 -13.2840 0.51995E-13 -13.2840 0.10000E+01 0.0000 57 KSO4- 0.45373E-10 -10.3432 0.43659E-10 -10.3599 0.96222E+00 -0.0167 58 MgCO3,aq 0.48095E-12 -12.3179 0.48095E-12 -12.3179 0.10000E+01 0.0000 59 Mg(HCO3)+ 0.47794E-10 -10.3206 0.45990E-10 -10.3373 0.96225E+00 -0.0167 60 MgCl+ 0.87093E-10 -10.0600 0.83805E-10 -10.0767 0.96225E+00 -0.0167 61 MgOH+ 0.17527E-09 -9.7563 0.16865E-09 -9.7730 0.96225E+00 -0.0167 63 MnO,aq 0.95287E-14 -14.0210 0.95287E-14 -14.0210 0.10000E+01 0.0000 64 MnOH+ 0.29101E-10 -10.5361 0.28002E-10 -10.5528 0.96225E+00 -0.0167 66 HMnO2- 0.71541E-19 -19.1454 0.68838E-19 -19.1622 0.96222E+00 -0.0167 69 MnCl+ 0.79177E-11 -11.1014 0.76188E-11 -11.1181 0.96225E+00 -0.0167 70 MnSO4,aq 0.61778E-10 -10.2092 0.61778E-10 -10.2092 0.10000E+01 0.0000 71 NaCl,aq 0.68078E-08 -8.1670 0.68078E-08 -8.1670 0.10000E+01 0.0000 72 NaOH,aq 0.66059E-10 -10.1801 0.66059E-10 -10.1801 0.10000E+01 0.0000 74 OH- 0.59664E-06 -6.2243 0.57408E-06 -6.2410 0.96219E+00 -0.0167 82 H3PO4,aq 0.12326E-11 -11.9092 0.12326E-11 -11.9092 0.10000E+01 0.0000 83 H2PO4- 0.33570E-08 -8.4741 0.32302E-08 -8.4908 0.96224E+00 -0.0167 84 PO4-3 0.17272E-15 -15.7627 0.14105E-15 -15.8506 0.81661E+00 -0.0880 87 H2P2O7-2 0.90445E-18 -18.0436 0.81815E-18 -18.0872 0.90459E+00 -0.0436 88 HP2O7-3 0.19894E-18 -18.7013 0.16232E-18 -18.7896 0.81591E+00 -0.0884 90 H2S,aq 0.70701E-17 -17.1506 0.70696E-17 -17.1506 0.99993E+00 0.0000 96 SO2,aq 0.70090E-18 -18.1543 0.70090E-18 -18.1543 0.10000E+01 0.0000 97 SO3-2 0.22253E-16 -16.6526 0.20135E-16 -16.6961 0.90482E+00 -0.0434 98 HSO3- 0.13186E-14 -14.8799 0.12688E-14 -14.8966 0.96222E+00 -0.0167 99 HSO4- 0.23143E-07 -7.6356 0.22270E-07 -7.6523 0.96227E+00 -0.0167 Charge balance for all species = 0.7000E-15 Component Molality Aq.molality ppm log[A(N)/A(H+)**Z] (total) 1 H+ 0.1045839E-05 0.9023288E-05 0.9094836E-02 0.0000 2 H2O 0.1000000E+01 0.5550824E+02 0.9999869E+06 0.0000 3 Cl- 0.1379642E-03 0.1379742E-03 0.4891546E+01 2.1203 4 SO4-- 0.2538193E-04 0.2550450E-04 0.2449976E+01 7.3554 5 HCO3- 0.4257409E-05 0.1307000E-04 0.7974863E+00 0.6096 6 HS- 0.2362035E-17 -.2434262E-10 -.8050505E-06 -11.6462 7 Al+++ 0.9341409E-15 0.6666447E-07 0.1798688E-02 2.8737 8 H4SiO4 0.6241636E-05 0.6247670E-05 0.6004909E+00 -5.2047 9 Ca++ 0.1505627E-04 0.1516115E-04 0.6076219E+00 7.1286 10 Mg++ 0.4758798E-06 0.4761905E-06 0.1157702E-01 5.6283 11 Fe++ 0.2860062E-06 0.2949756E-06 0.1647332E-01 5.4072 12 K+ 0.1273428E-06 0.1273885E-06 0.4981093E-02 -0.9145 13 Na+ 0.1608173E-03 0.1608242E-03 0.3697276E+01 2.1868 14 Mn++ 0.1030435E-07 0.1040316E-07 0.5715226E-03 3.9638 15 HPO4-- 0.1923297E-09 0.3550546E-08 0.3407742E-03 2.2349 Component Tot moles Aq. moles Solid moles Gas moles 1 H+ 0.3104891E-05 0.9023288E-05 -.5918397E-05 0.0000000E+00 2 H2O 0.5550824E+02 0.5550824E+02 0.3912391E-05 0.0000000E+00 3 Cl- 0.1379742E-03 0.1379742E-03 0.0000000E+00 0.0000000E+00 4 SO4-- 0.2552110E-04 0.2550449E-04 0.1660370E-07 0.0000000E+00 5 HCO3- 0.1307000E-04 0.1307000E-04 0.0000000E+00 0.0000000E+00 6 HS- -.1662805E-07 -.2434262E-10 -.1660370E-07 0.0000000E+00 7 Al+++ 0.1956445E-05 0.6666446E-07 0.1889781E-05 0.0000000E+00 8 H4SiO4 0.6247670E-05 0.6247670E-05 0.0000000E+00 0.0000000E+00 9 Ca++ 0.1516115E-04 0.1516115E-04 0.0000000E+00 0.0000000E+00 10 Mg++ 0.4761905E-06 0.4761905E-06 0.0000000E+00 0.0000000E+00 11 Fe++ 0.4278052E-06 0.2949755E-06 0.1328296E-06 0.0000000E+00 12 K+ 0.1273885E-06 0.1273885E-06 0.0000000E+00 0.0000000E+00 13 Na+ 0.1608241E-03 0.1608241E-03 0.0000000E+00 0.0000000E+00 14 Mn++ 0.1040316E-07 0.1040316E-07 0.0000000E+00 0.0000000E+00 15 HPO4-- 0.3550546E-08 0.3550546E-08 0.0000000E+00 0.0000000E+00 Chg. balance for solid moles: 0.0000E+00 Mass of aqueous solution: 0.100001E+04 g Temperature = 100.00 C Pressure = 50.00 bar Mixer frac. = 0.0006000 Log Log Vol Gas or mineral Moles Moles Grams Grams Wt.% (cm3) diaspore 0.1890E-05 -5.724 0.1134E-03 -3.946 91.44 0.3375E-04 hematite 0.6641E-07 -7.178 0.1061E-04 -4.974 8.555 0.2010E-05 Partial press. Fugacity coef Log fugacity Gas or Mineral Mole fraction or activity Activity coef Log activity diaspore 0.1000E+01 0.1000E+01 1.0000 0.000 hematite 0.1000E+01 0.1000E+01 1.0000 0.000 Solid products produced: Mass = 0.000124 g Volume = 0.000036 cm3 Porosity: 99.9964% V(tot) - V(min): 0.10002E+01 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: 0.0006000 g log = -3.2218 Original solution: 1000.0102895 g Original solution / Rock added: 1666683.82 (Water/Rock Ratio), log = 6.2219 Gas composition at saturation ( 2 iterations) ------------------------------------------------- Temperature: 100.0000 deg.C Sat. pressure: 1.0212 bar Gas Mole fraction phi Fugacity Partial P(bar) H2O,gas 0.9991E+00 0.9859 0.1006E+01 0.1020E+01 CO2,gas 0.9165E-03 1.0071 0.9426E-03 0.9359E-03 CH4,gas 0.5607E-21 1.0125 0.5798E-21 0.5726E-21 H2,gas 0.8670E-08 1.0005 0.8859E-08 0.8855E-08 H2S,gas 0.1911E-15 0.9960 0.1943E-15 0.1951E-15 S2,gas 0.1769E-34 1.0000 0.1806E-34 0.1806E-34 CO,gas 0.2179E-14 1.0000 0.2226E-14 0.2226E-14 SO3,gas 0.8611E-32 1.0000 0.8794E-32 0.8794E-32 SO2,gas 0.2968E-17 1.0000 0.3031E-17 0.3031E-17 HCl,gas 0.4230E-13 1.0000 0.4320E-13 0.4320E-13 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 65 diaspore 2.87 2.87 0.00 0.000 -0.30331E-11 90 hematite 12.57 12.57 0.00 0.000 0.30331E-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 -1.696 0.28965E+04 0.003 2 CO2,gas -6.66 -11.38 -4.72 -1.575 0.80672E+04 -3.026 3 CH4,gas 4.54 -18.39 -22.94 -5.734 0.39162E+05 -21.237 4 H2,gas 8.00 -1.75 -9.75 -5.572 0.16651E+05 -8.053 5 H2S,gas -6.23 -23.64 -17.41 -8.705 0.29728E+05 -15.711 6 S2,gas -7.34 -43.78 -36.44 -5.606 0.62224E+05 -34.743 7 CO,gas 3.21 -13.14 -16.35 -5.031 0.27920E+05 -14.653 8 SO3,gas 17.12 -16.63 -33.75 -8.439 0.57635E+05 -32.056 9 SO2,gas 0.83 -18.39 -19.22 -5.125 0.32813E+05 -17.518 10 HCl,gas 5.19 -9.87 -15.06 -7.532 0.25720E+05 -13.365 21 andalusite 5.00 0.54 -4.46 -0.446 0.76133E+04 24 anhydrite -5.32 -9.50 -4.19 -2.094 0.71510E+04 51 chloritoid-Fe 9.17 5.95 -3.22 -0.215 0.55044E+04 54 coesite -2.38 -5.20 -2.83 -0.943 0.48298E+04 59 corundum 8.38 5.75 -2.64 -0.240 0.45004E+04 61 cristobalite -2.56 -5.20 -2.64 -0.881 0.45152E+04 83 gibbsite 4.08 2.87 -1.21 -0.172 0.20585E+04 98 kaolinite -1.33 -4.66 -3.33 -0.303 0.56846E+04 99 kyanite 4.88 0.54 -4.33 -0.433 0.73992E+04 107 magnetite 20.09 17.97 -2.11 -0.173 0.36096E+04 147 quartz -2.99 -5.20 -2.22 -0.738 0.37825E+04 155 siderite -2.61 -5.98 -3.37 -1.123 0.57532E+04 156 sillimanite 5.26 0.54 -4.72 -0.472 0.80573E+04 177 topaz-H 4.62 0.54 -4.08 -0.371 0.69593E+04 178 tridymite -2.63 -5.20 -2.58 -0.859 0.44025E+04 192 akaganeite 7.75 6.28 -1.47 -0.318 0.25125E+04 199 chalcedony -2.80 -5.20 -2.40 -0.801 0.41018E+04 214 gypsum -4.96 -9.50 -4.55 -1.137 0.77686E+04 233 boehmite 4.41 2.87 -1.53 -0.255 0.26169E+04 235 ferrous-oxide 9.81 5.41 -4.40 -1.101 0.75204E+04 240 silica-amorphous -2.09 -5.20 -3.11 -1.038 0.53160E+04 Calculations done for 100.0000 Deg. C; 50.0000 bar Next reactant titration increment of: 0.0001000 g Current total amount of reactant added: 0.0006000 g New total amount of reactant added: 0.0007000 g Solids and gases carried Charge balance check after fractionation or titration: TBAL = 0.7000E-15 ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ 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 = 0.0007000 Water: Moles liquid = 0.5551E+02 kg liquid = 0.1000E+01 Moles total = 0.5551E+02 kg total = 0.1000E+01 Activity = 1.0000 Stoichiometric ionic strength = .2397948E-03 Osmotic coef. = 0.9907 True ionic strength = .2356155E-03 Chg. balance for total moles = 0.7000E-15 Max. difference allowed = 0.1380E-07 Log Log Log Species(n) Molality Molality Activity Activity Gamma Gamma 1 H+ 0.91246E-06 -6.0398 0.87805E-06 -6.0565 0.96229E+00 -0.0167 2 H2O 0.10000E+01 0.0000 0.10000E+01 0.0000 3 Cl- 0.13796E-03 -3.8602 0.13275E-03 -3.8770 0.96219E+00 -0.0167 4 SO4-- 0.25384E-04 -4.5954 0.22960E-04 -4.6390 0.90450E+00 -0.0436 5 HCO3- 0.46580E-05 -5.3318 0.44820E-05 -5.3485 0.96222E+00 -0.0167 6 HS- 0.60573E-16 -16.2177 0.58283E-16 -16.2345 0.96219E+00 -0.0167 7 Al+++ 0.62049E-15 -15.2073 0.50612E-15 -15.2957 0.81567E+00 -0.0885 8 H4SiO4 0.72809E-05 -5.1378 0.72809E-05 -5.1378 0.10000E+01 0.0000 9 Ca++ 0.15170E-04 -4.8190 0.13720E-04 -4.8627 0.90439E+00 -0.0436 10 Mg++ 0.55516E-06 -6.2556 0.50204E-06 -6.2993 0.90432E+00 -0.0437 11 Fe++ 0.33222E-06 -6.4786 0.30044E-06 -6.5222 0.90433E+00 -0.0437 12 K+ 0.14857E-06 -6.8281 0.14295E-06 -6.8448 0.96222E+00 -0.0167 13 Na+ 0.16094E-03 -3.7933 0.15486E-03 -3.8101 0.96219E+00 -0.0167 14 Mn++ 0.12017E-07 -7.9202 0.10867E-07 -7.9639 0.90435E+00 -0.0437 15 HPO4-- 0.25521E-09 -9.5931 0.23084E-09 -9.6367 0.90451E+00 -0.0436 16 HSiO3- 0.80469E-08 -8.0944 0.77427E-08 -8.1111 0.96219E+00 -0.0167 17 Ca(HSiO3)+ 0.25142E-11 -11.5996 0.24192E-11 -11.6163 0.96222E+00 -0.0167 18 Mg(HSiO3)+ 0.11450E-12 -12.9412 0.11017E-12 -12.9579 0.96222E+00 -0.0167 19 NaHSiO3,aq 0.19392E-10 -10.7124 0.19392E-10 -10.7124 0.10000E+01 0.0000 20 AlO+ 0.92814E-10 -10.0324 0.89308E-10 -10.0491 0.96222E+00 -0.0167 21 AlOH+2 0.43176E-12 -12.3648 0.39047E-12 -12.4084 0.90436E+00 -0.0437 22 HAlO2,aq 0.20256E-07 -7.6935 0.20256E-07 -7.6935 0.10000E+01 0.0000 23 AlO2- 0.53074E-07 -7.2751 0.51065E-07 -7.2919 0.96216E+00 -0.0168 29 CO,aq 0.33192E-17 -17.4790 0.33192E-17 -17.4790 0.10000E+01 0.0000 30 CO2,aq 0.84097E-05 -5.0752 0.84091E-05 -5.0753 0.99993E+00 0.0000 31 CO3-2 0.49295E-09 -9.3072 0.44586E-09 -9.3508 0.90447E+00 -0.0436 32 CaCO3,aq 0.76702E-10 -10.1152 0.76702E-10 -10.1152 0.10000E+01 0.0000 33 Ca(HCO3)+ 0.16313E-08 -8.7875 0.15697E-08 -8.8042 0.96222E+00 -0.0167 34 CaCl+ 0.30631E-08 -8.5138 0.29474E-08 -8.5306 0.96222E+00 -0.0167 35 CaCl2,aq 0.92955E-13 -13.0317 0.92955E-13 -13.0317 0.10000E+01 0.0000 36 CaOH+ 0.11573E-08 -8.9365 0.11136E-08 -8.9533 0.96222E+00 -0.0167 37 CaSO4,aq 0.10003E-06 -6.9999 0.10003E-06 -6.9999 0.10000E+01 0.0000 38 HCl,aq 0.21359E-10 -10.6704 0.21359E-10 -10.6704 0.10000E+01 0.0000 43 FeCl+ 0.65606E-10 -10.1831 0.63128E-10 -10.1998 0.96222E+00 -0.0167 44 FeCl2,aq 0.26532E-18 -18.5762 0.26532E-18 -18.5762 0.10000E+01 0.0000 46 FeO,aq 0.15146E-10 -10.8197 0.15146E-10 -10.8197 0.10000E+01 0.0000 47 FeOH+ 0.11575E-07 -7.9365 0.11138E-07 -7.9532 0.96222E+00 -0.0167 48 HFeO2- 0.18757E-12 -12.7268 0.18048E-12 -12.7436 0.96219E+00 -0.0167 49 FeO+ 0.69652E-11 -11.1571 0.67021E-11 -11.1738 0.96222E+00 -0.0167 50 FeOH+2 0.12427E-14 -14.9056 0.11238E-14 -14.9493 0.90436E+00 -0.0437 51 FeO2- 0.18487E-11 -11.7331 0.17788E-11 -11.7499 0.96219E+00 -0.0167 52 HFeO2,aq 0.19864E-09 -9.7019 0.19864E-09 -9.7019 0.10000E+01 0.0000 53 H2,aq 0.15714E-10 -10.8037 0.15712E-10 -10.8038 0.99993E+00 0.0000 54 KCl,aq 0.34394E-12 -12.4635 0.34394E-12 -12.4635 0.10000E+01 0.0000 55 KHSO4,aq 0.81484E-17 -17.0889 0.81484E-17 -17.0889 0.10000E+01 0.0000 56 KOH,aq 0.69528E-13 -13.1578 0.69528E-13 -13.1578 0.10000E+01 0.0000 57 KSO4- 0.52934E-10 -10.2763 0.50932E-10 -10.2930 0.96219E+00 -0.0167 58 MgCO3,aq 0.70352E-12 -12.1527 0.70352E-12 -12.1527 0.10000E+01 0.0000 59 Mg(HCO3)+ 0.60994E-10 -10.2147 0.58690E-10 -10.2314 0.96222E+00 -0.0167 60 MgCl+ 0.10159E-09 -9.9932 0.97751E-10 -10.0099 0.96222E+00 -0.0167 61 MgOH+ 0.23434E-09 -9.6302 0.22549E-09 -9.6469 0.96222E+00 -0.0167 63 MnO,aq 0.14598E-13 -13.8357 0.14598E-13 -13.8357 0.10000E+01 0.0000 64 MnOH+ 0.38895E-10 -10.4101 0.37426E-10 -10.4268 0.96222E+00 -0.0167 66 HMnO2- 0.12563E-18 -18.9009 0.12088E-18 -18.9177 0.96219E+00 -0.0167 69 MnCl+ 0.92324E-11 -11.0347 0.88836E-11 -11.0514 0.96222E+00 -0.0167 70 MnSO4,aq 0.72033E-10 -10.1425 0.72033E-10 -10.1425 0.10000E+01 0.0000 71 NaCl,aq 0.68126E-08 -8.1667 0.68126E-08 -8.1667 0.10000E+01 0.0000 72 NaOH,aq 0.75775E-10 -10.1205 0.75775E-10 -10.1205 0.10000E+01 0.0000 74 OH- 0.68390E-06 -6.1650 0.65802E-06 -6.1818 0.96216E+00 -0.0168 82 H3PO4,aq 0.12447E-11 -11.9049 0.12447E-11 -11.9049 0.10000E+01 0.0000 83 H2PO4- 0.38859E-08 -8.4105 0.37390E-08 -8.4272 0.96221E+00 -0.0167 84 PO4-3 0.26274E-15 -15.5805 0.21449E-15 -15.6686 0.81638E+00 -0.0881 87 H2P2O7-2 0.12120E-17 -17.9165 0.10962E-17 -17.9601 0.90447E+00 -0.0436 88 HP2O7-3 0.30561E-18 -18.5148 0.24928E-18 -18.6033 0.81568E+00 -0.0885 90 H2S,aq 0.15817E-15 -15.8009 0.15816E-15 -15.8009 0.99993E+00 0.0000 96 SO2,aq 0.12421E-17 -17.9058 0.12421E-17 -17.9058 0.10000E+01 0.0000 97 SO3-2 0.51819E-16 -16.2855 0.46881E-16 -16.3290 0.90470E+00 -0.0435 98 HSO3- 0.26786E-14 -14.5721 0.25773E-14 -14.5888 0.96219E+00 -0.0167 99 HSO4- 0.20191E-07 -7.6948 0.19429E-07 -7.7116 0.96224E+00 -0.0167 Charge balance for all species = 0.7000E-15 Component Molality Aq.molality ppm log[A(N)/A(H+)**Z] (total) 1 H+ 0.9124556E-06 0.8366991E-05 0.8433333E-02 0.0000 2 H2O 0.1000000E+01 0.5550824E+02 0.9999868E+06 0.0000 3 Cl- 0.1379641E-03 0.1379742E-03 0.4891546E+01 2.1795 4 SO4-- 0.2538413E-04 0.2550449E-04 0.2449976E+01 7.4739 5 HCO3- 0.4658019E-05 0.1307000E-04 0.7974862E+00 0.7080 6 HS- 0.6057266E-16 -.2200296E-10 -.7276739E-06 -10.1780 7 Al+++ 0.6204931E-15 0.7342254E-07 0.1981029E-02 2.8737 8 H4SiO4 0.7280880E-05 0.7288949E-05 0.7005726E+00 -5.1378 9 Ca++ 0.1517020E-04 0.1527616E-04 0.6122314E+00 7.2503 10 Mg++ 0.5551579E-06 0.5555556E-06 0.1350652E-01 5.8137 11 Fe++ 0.3322234E-06 0.3440870E-06 0.1921602E-01 5.5907 12 K+ 0.1485666E-06 0.1486200E-06 0.5811275E-02 -0.7883 13 Na+ 0.1609428E-03 0.1609497E-03 0.3700161E+01 2.2464 14 Mn++ 0.1201684E-07 0.1213702E-07 0.6667763E-03 4.1491 15 HPO4-- 0.2552063E-09 0.4142304E-08 0.3975699E-03 2.4763 Component Tot moles Aq. moles Solid moles Gas moles 1 H+ 0.1449039E-05 0.8366990E-05 -.6917951E-05 0.0000000E+00 2 H2O 0.5550824E+02 0.5550824E+02 0.4573212E-05 0.0000000E+00 3 Cl- 0.1379742E-03 0.1379742E-03 0.0000000E+00 0.0000000E+00 4 SO4-- 0.2552387E-04 0.2550449E-04 0.1937738E-07 0.0000000E+00 5 HCO3- 0.1307000E-04 0.1307000E-04 0.0000000E+00 0.0000000E+00 6 HS- -.1939939E-07 -.2200296E-10 -.1937738E-07 0.0000000E+00 7 Al+++ 0.2282519E-05 0.7342254E-07 0.2209097E-05 0.0000000E+00 8 H4SiO4 0.7288948E-05 0.7288948E-05 0.0000000E+00 0.0000000E+00 9 Ca++ 0.1527616E-04 0.1527616E-04 0.0000000E+00 0.0000000E+00 10 Mg++ 0.5555556E-06 0.5555556E-06 0.0000000E+00 0.0000000E+00 11 Fe++ 0.4991060E-06 0.3440870E-06 0.1550191E-06 0.0000000E+00 12 K+ 0.1486200E-06 0.1486200E-06 0.0000000E+00 0.0000000E+00 13 Na+ 0.1609497E-03 0.1609497E-03 0.0000000E+00 0.0000000E+00 14 Mn++ 0.1213702E-07 0.1213702E-07 0.0000000E+00 0.0000000E+00 15 HPO4-- 0.4142304E-08 0.4142304E-08 0.0000000E+00 0.0000000E+00 Chg. balance for solid moles: 0.2118E-21 Mass of aqueous solution: 0.100001E+04 g Temperature = 100.00 C Pressure = 50.00 bar Mixer frac. = 0.0007000 Log Log Vol Gas or mineral Moles Moles Grams Grams Wt.% (cm3) diaspore 0.2209E-05 -5.656 0.1325E-03 -3.878 91.46 0.3945E-04 hematite 0.7751E-07 -7.111 0.1238E-04 -4.907 8.543 0.2346E-05 Partial press. Fugacity coef Log fugacity Gas or Mineral Mole fraction or activity Activity coef Log activity diaspore 0.1000E+01 0.1000E+01 1.0000 0.000 hematite 0.1000E+01 0.1000E+01 1.0000 0.000 Solid products produced: Mass = 0.000145 g Volume = 0.000042 cm3 Porosity: 99.9958% V(tot) - V(min): 0.10002E+01 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: 0.0007000 g log = -3.1549 Original solution: 1000.0102895 g Original solution / Rock added: 1428586.13 (Water/Rock Ratio), log = 6.1549 Gas composition at saturation ( 2 iterations) ------------------------------------------------- Temperature: 100.0000 deg.C Sat. pressure: 1.0212 bar Gas Mole fraction phi Fugacity Partial P(bar) H2O,gas 0.9991E+00 0.9859 0.1006E+01 0.1020E+01 CO2,gas 0.8748E-03 1.0071 0.8997E-03 0.8934E-03 CH4,gas 0.1573E-19 1.0125 0.1627E-19 0.1607E-19 H2,gas 0.2019E-07 1.0005 0.2063E-07 0.2062E-07 H2S,gas 0.4274E-14 0.9960 0.4348E-14 0.4365E-14 S2,gas 0.1633E-32 1.0000 0.1667E-32 0.1667E-32 CO,gas 0.4844E-14 1.0000 0.4946E-14 0.4946E-14 SO3,gas 0.6554E-32 1.0000 0.6693E-32 0.6693E-32 SO2,gas 0.5260E-17 1.0000 0.5372E-17 0.5372E-17 HCl,gas 0.3691E-13 1.0000 0.3769E-13 0.3769E-13 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 65 diaspore 2.87 2.87 0.00 0.000 0.30331E-11 90 hematite 12.57 12.57 0.00 0.000 0.30331E-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 -1.696 0.28965E+04 0.003 2 CO2,gas -6.66 -11.41 -4.74 -1.582 0.81018E+04 -3.046 3 CH4,gas 4.54 -16.94 -21.49 -5.372 0.36690E+05 -19.789 4 H2,gas 8.00 -1.38 -9.38 -5.363 0.16024E+05 -7.686 5 H2S,gas -6.23 -22.29 -16.06 -8.030 0.27423E+05 -14.362 6 S2,gas -7.34 -41.81 -34.48 -5.304 0.58868E+05 -32.778 7 CO,gas 3.21 -12.79 -16.00 -4.925 0.27328E+05 -14.306 8 SO3,gas 17.12 -16.75 -33.87 -8.468 0.57838E+05 -32.174 9 SO2,gas 0.83 -18.14 -18.97 -5.058 0.32389E+05 -17.270 10 HCl,gas 5.19 -9.93 -15.12 -7.561 0.25822E+05 -13.424 21 andalusite 5.00 0.61 -4.39 -0.439 0.74991E+04 24 anhydrite -5.32 -9.50 -4.18 -2.092 0.71456E+04 37 calcite 0.81 -4.15 -4.97 -1.655 0.84801E+04 51 chloritoid-Fe 9.17 6.20 -2.97 -0.198 0.50769E+04 54 coesite -2.38 -5.14 -2.76 -0.921 0.47156E+04 59 corundum 8.38 5.75 -2.64 -0.240 0.45004E+04 61 cristobalite -2.56 -5.14 -2.58 -0.859 0.44010E+04 83 gibbsite 4.08 2.87 -1.21 -0.172 0.20585E+04 98 kaolinite -1.33 -4.53 -3.20 -0.290 0.54562E+04 99 kyanite 4.88 0.61 -4.27 -0.427 0.72850E+04 107 magnetite 20.09 18.16 -1.93 -0.158 0.32963E+04 147 quartz -2.99 -5.14 -2.15 -0.716 0.36683E+04 155 siderite -2.61 -5.81 -3.21 -1.069 0.54744E+04 156 sillimanite 5.26 0.61 -4.65 -0.465 0.79431E+04 177 topaz-H 4.62 0.61 -4.01 -0.364 0.68451E+04 178 tridymite -2.63 -5.14 -2.51 -0.837 0.42883E+04 192 akaganeite 7.75 6.28 -1.47 -0.318 0.25125E+04 199 chalcedony -2.80 -5.14 -2.34 -0.778 0.39876E+04 214 gypsum -4.96 -9.50 -4.55 -1.137 0.77631E+04 233 boehmite 4.41 2.87 -1.53 -0.255 0.26169E+04 235 ferrous-oxide 9.81 5.59 -4.22 -1.055 0.72070E+04 240 silica-amorphous -2.09 -5.14 -3.05 -1.015 0.52018E+04 Calculations done for 100.0000 Deg. C; 50.0000 bar Next reactant titration increment of: 0.0001000 g Current total amount of reactant added: 0.0007000 g New total amount of reactant added: 0.0008000 g Solids and gases carried Charge balance check after fractionation or titration: TBAL = 0.7000E-15 ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ 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 = 0.0008000 Water: Moles liquid = 0.5551E+02 kg liquid = 0.1000E+01 Moles total = 0.5551E+02 kg total = 0.1000E+01 Activity = 1.0000 Stoichiometric ionic strength = .2403939E-03 Osmotic coef. = 0.9907 True ionic strength = .2363755E-03 Chg. balance for total moles = 0.7000E-15 Max. difference allowed = 0.1380E-07 Log Log Log Species(n) Molality Molality Activity Activity Gamma Gamma 1 H+ 0.79834E-06 -6.0978 0.76822E-06 -6.1145 0.96226E+00 -0.0167 2 H2O 0.10000E+01 0.0000 0.10000E+01 0.0000 3 Cl- 0.13796E-03 -3.8602 0.13274E-03 -3.8770 0.96216E+00 -0.0168 4 SO4-- 0.25386E-04 -4.5954 0.22959E-04 -4.6391 0.90439E+00 -0.0436 5 HCO3- 0.50658E-05 -5.2954 0.48742E-05 -5.3121 0.96218E+00 -0.0167 6 HS- 0.12568E-14 -14.9007 0.12093E-14 -14.9175 0.96216E+00 -0.0168 7 Al+++ 0.41568E-15 -15.3812 0.33896E-15 -15.4699 0.81543E+00 -0.0886 8 H4SiO4 0.83197E-05 -5.0799 0.83197E-05 -5.0799 0.10000E+01 0.0000 9 Ca++ 0.15284E-04 -4.8158 0.13821E-04 -4.8595 0.90427E+00 -0.0437 10 Mg++ 0.63442E-06 -6.1976 0.57364E-06 -6.2414 0.90420E+00 -0.0437 11 Fe++ 0.37783E-06 -6.4227 0.34164E-06 -6.4664 0.90422E+00 -0.0437 12 K+ 0.16979E-06 -6.7701 0.16337E-06 -6.7868 0.96219E+00 -0.0167 13 Na+ 0.16107E-03 -3.7930 0.15497E-03 -3.8097 0.96216E+00 -0.0168 14 Mn++ 0.13727E-07 -7.8624 0.12413E-07 -7.9061 0.90423E+00 -0.0437 15 HPO4-- 0.33050E-09 -9.4808 0.29890E-09 -9.5245 0.90439E+00 -0.0436 16 HSiO3- 0.10510E-07 -7.9784 0.10112E-07 -7.9951 0.96216E+00 -0.0168 17 Ca(HSiO3)+ 0.33080E-11 -11.4804 0.31829E-11 -11.4972 0.96219E+00 -0.0167 18 Mg(HSiO3)+ 0.17087E-12 -12.7673 0.16441E-12 -12.7841 0.96219E+00 -0.0167 19 NaHSiO3,aq 0.25346E-10 -10.5961 0.25346E-10 -10.5961 0.10000E+01 0.0000 20 AlO+ 0.81207E-10 -10.0904 0.78137E-10 -10.1071 0.96219E+00 -0.0167 21 AlOH+2 0.33054E-12 -12.4808 0.29889E-12 -12.5245 0.90425E+00 -0.0437 22 HAlO2,aq 0.20256E-07 -7.6935 0.20256E-07 -7.6935 0.10000E+01 0.0000 23 AlO2- 0.60664E-07 -7.2171 0.58366E-07 -7.2338 0.96213E+00 -0.0168 29 CO,aq 0.69692E-17 -17.1568 0.69692E-17 -17.1568 0.10000E+01 0.0000 30 CO2,aq 0.80016E-05 -5.0968 0.80010E-05 -5.0969 0.99993E+00 0.0000 31 CO3-2 0.61281E-09 -9.2127 0.55420E-09 -9.2563 0.90435E+00 -0.0437 32 CaCO3,aq 0.96043E-10 -10.0175 0.96043E-10 -10.0175 0.10000E+01 0.0000 33 Ca(HCO3)+ 0.17872E-08 -8.7478 0.17196E-08 -8.7646 0.96219E+00 -0.0167 34 CaCl+ 0.30857E-08 -8.5106 0.29690E-08 -8.5274 0.96219E+00 -0.0167 35 CaCl2,aq 0.93634E-13 -13.0286 0.93634E-13 -13.0286 0.10000E+01 0.0000 36 CaOH+ 0.13326E-08 -8.8753 0.12822E-08 -8.8920 0.96219E+00 -0.0167 37 CaSO4,aq 0.10076E-06 -6.9967 0.10076E-06 -6.9967 0.10000E+01 0.0000 38 HCl,aq 0.18687E-10 -10.7285 0.18687E-10 -10.7285 0.10000E+01 0.0000 43 FeCl+ 0.74603E-10 -10.1272 0.71782E-10 -10.1440 0.96219E+00 -0.0167 44 FeCl2,aq 0.30168E-18 -18.5205 0.30168E-18 -18.5205 0.10000E+01 0.0000 46 FeO,aq 0.22499E-10 -10.6478 0.22499E-10 -10.6478 0.10000E+01 0.0000 47 FeOH+ 0.15045E-07 -7.8226 0.14476E-07 -7.8394 0.96219E+00 -0.0167 48 HFeO2- 0.31849E-12 -12.4969 0.30644E-12 -12.5137 0.96216E+00 -0.0168 49 FeO+ 0.60941E-11 -11.2151 0.58637E-11 -11.2318 0.96219E+00 -0.0167 50 FeOH+2 0.95134E-15 -15.0217 0.86025E-15 -15.0654 0.90425E+00 -0.0437 51 FeO2- 0.21130E-11 -11.6751 0.20331E-11 -11.6918 0.96216E+00 -0.0168 52 HFeO2,aq 0.19864E-09 -9.7019 0.19864E-09 -9.7019 0.10000E+01 0.0000 53 H2,aq 0.34677E-10 -10.4600 0.34674E-10 -10.4600 0.99993E+00 0.0000 54 KCl,aq 0.39305E-12 -12.4056 0.39305E-12 -12.4056 0.10000E+01 0.0000 55 KHSO4,aq 0.81468E-17 -17.0890 0.81468E-17 -17.0890 0.10000E+01 0.0000 56 KOH,aq 0.90819E-13 -13.0418 0.90819E-13 -13.0418 0.10000E+01 0.0000 57 KSO4- 0.60492E-10 -10.2183 0.58203E-10 -10.2351 0.96216E+00 -0.0168 58 MgCO3,aq 0.99919E-12 -12.0004 0.99919E-12 -12.0004 0.10000E+01 0.0000 59 Mg(HCO3)+ 0.75795E-10 -10.1204 0.72930E-10 -10.1371 0.96219E+00 -0.0167 60 MgCl+ 0.11608E-09 -9.9353 0.11169E-09 -9.9520 0.96219E+00 -0.0167 61 MgOH+ 0.30606E-09 -9.5142 0.29448E-09 -9.5309 0.96219E+00 -0.0167 63 MnO,aq 0.21782E-13 -13.6619 0.21782E-13 -13.6619 0.10000E+01 0.0000 64 MnOH+ 0.50779E-10 -10.2943 0.48859E-10 -10.3111 0.96219E+00 -0.0167 66 HMnO2- 0.21426E-18 -18.6691 0.20615E-18 -18.6858 0.96216E+00 -0.0168 69 MnCl+ 0.10545E-10 -10.9770 0.10146E-10 -10.9937 0.96219E+00 -0.0167 70 MnSO4,aq 0.82271E-10 -10.0848 0.82271E-10 -10.0848 0.10000E+01 0.0000 71 NaCl,aq 0.68175E-08 -8.1664 0.68175E-08 -8.1664 0.10000E+01 0.0000 72 NaOH,aq 0.86673E-10 -10.0621 0.86673E-10 -10.0621 0.10000E+01 0.0000 74 OH- 0.78170E-06 -6.1070 0.75210E-06 -6.1237 0.96213E+00 -0.0168 82 H3PO4,aq 0.12337E-11 -11.9088 0.12337E-11 -11.9088 0.10000E+01 0.0000 83 H2PO4- 0.44023E-08 -8.3563 0.42358E-08 -8.3731 0.96218E+00 -0.0167 84 PO4-3 0.38896E-15 -15.4101 0.31745E-15 -15.4983 0.81614E+00 -0.0882 87 H2P2O7-2 0.15556E-17 -17.8081 0.14068E-17 -17.8518 0.90435E+00 -0.0437 88 HP2O7-3 0.44843E-18 -18.3483 0.36567E-18 -18.4369 0.81544E+00 -0.0886 90 H2S,aq 0.28713E-14 -14.5419 0.28711E-14 -14.5420 0.99993E+00 0.0000 96 SO2,aq 0.20981E-17 -17.6782 0.20981E-17 -17.6782 0.10000E+01 0.0000 97 SO3-2 0.11436E-15 -15.9417 0.10345E-15 -15.9853 0.90459E+00 -0.0436 98 HSO3- 0.51716E-14 -14.2864 0.49759E-14 -14.3031 0.96216E+00 -0.0168 99 HSO4- 0.17665E-07 -7.7529 0.16997E-07 -7.7696 0.96221E+00 -0.0167 Charge balance for all species = 0.6999E-15 Component Molality Aq.molality ppm log[A(N)/A(H+)**Z] (total) 1 H+ 0.7983444E-06 0.7708269E-05 0.7769388E-02 0.0000 2 H2O 0.1000000E+01 0.5550824E+02 0.9999867E+06 0.0000 3 Cl- 0.1379641E-03 0.1379742E-03 0.4891546E+01 2.2375 4 SO4-- 0.2538590E-04 0.2550449E-04 0.2449975E+01 7.5900 5 HCO3- 0.5065798E-05 0.1307000E-04 0.7974862E+00 0.8024 6 HS- 0.1256810E-14 -.1718178E-10 -.5682297E-06 -8.8030 7 Al+++ 0.4156785E-15 0.8100085E-07 0.2185500E-02 2.8737 8 H4SiO4 0.8319689E-05 0.8330228E-05 0.8006544E+00 -5.0799 9 Ca++ 0.1528411E-04 0.1539118E-04 0.6168408E+00 7.3696 10 Mg++ 0.6344216E-06 0.6349207E-06 0.1543602E-01 5.9877 11 Fe++ 0.3778294E-06 0.3931786E-06 0.2195760E-01 5.7626 12 K+ 0.1697904E-06 0.1698514E-06 0.6641457E-02 -0.6723 13 Na+ 0.1610683E-03 0.1610752E-03 0.3703046E+01 2.3048 14 Mn++ 0.1372726E-07 0.1387088E-07 0.7620300E-03 4.3229 15 HPO4-- 0.3304955E-09 0.4734062E-08 0.4543656E-03 2.7046 Component Tot moles Aq. moles Solid moles Gas moles 1 H+ -.2068123E-06 0.7708268E-05 -.7915081E-05 0.0000000E+00 2 H2O 0.5550824E+02 0.5550823E+02 0.5232413E-05 0.0000000E+00 3 Cl- 0.1379742E-03 0.1379742E-03 0.0000000E+00 0.0000000E+00 4 SO4-- 0.2552664E-04 0.2550449E-04 0.2215355E-07 0.0000000E+00 5 HCO3- 0.1307000E-04 0.1307000E-04 0.0000000E+00 0.0000000E+00 6 HS- -.2217073E-07 -.1718178E-10 -.2215355E-07 0.0000000E+00 7 Al+++ 0.2608593E-05 0.8100083E-07 0.2527592E-05 0.0000000E+00 8 H4SiO4 0.8330226E-05 0.8330226E-05 0.0000000E+00 0.0000000E+00 9 Ca++ 0.1539117E-04 0.1539117E-04 0.0000000E+00 0.0000000E+00 10 Mg++ 0.6349206E-06 0.6349206E-06 0.0000000E+00 0.0000000E+00 11 Fe++ 0.5704069E-06 0.3931785E-06 0.1772284E-06 0.0000000E+00 12 K+ 0.1698514E-06 0.1698514E-06 0.0000000E+00 0.0000000E+00 13 Na+ 0.1610752E-03 0.1610752E-03 0.0000000E+00 0.0000000E+00 14 Mn++ 0.1387088E-07 0.1387088E-07 0.0000000E+00 0.0000000E+00 15 HPO4-- 0.4734061E-08 0.4734061E-08 0.0000000E+00 0.0000000E+00 Chg. balance for solid moles: -.6882E-21 Mass of aqueous solution: 0.100001E+04 g Temperature = 100.00 C Pressure = 50.00 bar Mixer frac. = 0.0008000 Log Log Vol Gas or mineral Moles Moles Grams Grams Wt.% (cm3) diaspore 0.2528E-05 -5.597 0.1516E-03 -3.819 91.46 0.4514E-04 hematite 0.8861E-07 -7.052 0.1415E-04 -4.849 8.536 0.2682E-05 Partial press. Fugacity coef Log fugacity Gas or Mineral Mole fraction or activity Activity coef Log activity diaspore 0.1000E+01 0.1000E+01 1.0000 0.000 hematite 0.1000E+01 0.1000E+01 1.0000 0.000 Solid products produced: Mass = 0.000166 g Volume = 0.000048 cm3 Porosity: 99.9952% V(tot) - V(min): 0.10003E+01 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: 0.0008000 g log = -3.0969 Original solution: 1000.0102895 g Original solution / Rock added: 1250012.86 (Water/Rock Ratio), log = 6.0969 Gas composition at saturation ( 2 iterations) ------------------------------------------------- Temperature: 100.0000 deg.C Sat. pressure: 1.0212 bar Gas Mole fraction phi Fugacity Partial P(bar) H2O,gas 0.9992E+00 0.9859 0.1006E+01 0.1020E+01 CO2,gas 0.8324E-03 1.0071 0.8560E-03 0.8500E-03 CH4,gas 0.3550E-18 1.0125 0.3671E-18 0.3625E-18 H2,gas 0.4456E-07 1.0005 0.4552E-07 0.4550E-07 H2S,gas 0.7760E-13 0.9960 0.7892E-13 0.7924E-13 S2,gas 0.1105E-30 1.0000 0.1128E-30 0.1128E-30 CO,gas 0.1017E-13 1.0000 0.1039E-13 0.1039E-13 SO3,gas 0.5017E-32 1.0000 0.5123E-32 0.5123E-32 SO2,gas 0.8885E-17 1.0000 0.9073E-17 0.9073E-17 HCl,gas 0.3229E-13 1.0000 0.3297E-13 0.3297E-13 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 65 diaspore 2.87 2.87 0.00 0.000 0.00000E+00 90 hematite 12.57 12.57 0.00 0.000 0.00000E+00 The following gases and minerals are presently EXCLUDED from matrix (Gases and minerals with log(Q/K) less than -5 are not listed below) Gas or Mineral Log K Log Q Log(Q/K) Log(Q/K)/S Affinity Log Fugacity 1 H2O,gas 1.70 0.00 -1.70 -1.696 0.28965E+04 0.003 2 CO2,gas -6.66 -11.43 -4.77 -1.589 0.81386E+04 -3.068 3 CH4,gas 4.54 -15.59 -20.13 -5.034 0.34379E+05 -18.435 4 H2,gas 8.00 -1.04 -9.04 -5.166 0.15437E+05 -7.342 5 H2S,gas -6.23 -21.03 -14.80 -7.401 0.25274E+05 -13.103 6 S2,gas -7.34 -39.98 -32.65 -5.023 0.55743E+05 -30.948 7 CO,gas 3.21 -12.47 -15.68 -4.825 0.26778E+05 -13.984 8 SO3,gas 17.12 -16.87 -33.99 -8.497 0.58036E+05 -32.290 9 SO2,gas 0.83 -17.91 -18.74 -4.998 0.32000E+05 -17.042 10 HCl,gas 5.19 -9.99 -15.18 -7.590 0.25921E+05 -13.482 21 andalusite 5.00 0.67 -4.33 -0.433 0.74002E+04 24 anhydrite -5.32 -9.50 -4.18 -2.091 0.71402E+04 37 calcite 0.81 -4.06 -4.87 -1.623 0.83134E+04 51 chloritoid-Fe 9.17 6.43 -2.74 -0.183 0.46845E+04 54 coesite -2.38 -5.08 -2.70 -0.901 0.46167E+04 59 corundum 8.38 5.75 -2.64 -0.240 0.45004E+04 61 cristobalite -2.56 -5.08 -2.52 -0.840 0.43021E+04 83 gibbsite 4.08 2.87 -1.21 -0.172 0.20585E+04 98 kaolinite -1.33 -4.41 -3.08 -0.280 0.52584E+04 99 kyanite 4.88 0.67 -4.21 -0.421 0.71861E+04 107 magnetite 20.09 18.33 -1.76 -0.144 0.30028E+04 147 quartz -2.99 -5.08 -2.09 -0.697 0.35694E+04 155 siderite -2.61 -5.66 -3.06 -1.019 0.52178E+04 156 sillimanite 5.26 0.67 -4.59 -0.459 0.78442E+04 177 topaz-H 4.62 0.67 -3.95 -0.359 0.67462E+04 178 tridymite -2.63 -5.08 -2.45 -0.818 0.41894E+04 192 akaganeite 7.75 6.28 -1.47 -0.318 0.25125E+04 199 chalcedony -2.80 -5.08 -2.28 -0.759 0.38887E+04 214 gypsum -4.96 -9.50 -4.54 -1.136 0.77577E+04 233 boehmite 4.41 2.87 -1.53 -0.255 0.26169E+04 235 ferrous-oxide 9.81 5.76 -4.05 -1.012 0.69135E+04 240 silica-amorphous -2.09 -5.08 -2.99 -0.996 0.51029E+04 Calculations done for 100.0000 Deg. C; 50.0000 bar Next reactant titration increment of: 0.0001000 g Current total amount of reactant added: 0.0008000 g New total amount of reactant added: 0.0009000 g Solids and gases carried Charge balance check after fractionation or titration: TBAL = 0.7000E-15 ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ 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 = 0.0009000 Water: Moles liquid = 0.5551E+02 kg liquid = 0.1000E+01 Moles total = 0.5551E+02 kg total = 0.1000E+01 Activity = 1.0000 Stoichiometric ionic strength = .2409969E-03 Osmotic coef. = 0.9907 True ionic strength = .2371500E-03 Chg. balance for total moles = 0.7000E-15 Max. difference allowed = 0.1380E-07 Log Log Log Species(n) Molality Molality Activity Activity Gamma Gamma 1 H+ 0.70055E-06 -6.1546 0.67409E-06 -6.1713 0.96223E+00 -0.0167 2 H2O 0.10000E+01 0.0000 0.10000E+01 0.0000 3 Cl- 0.13796E-03 -3.8602 0.13274E-03 -3.8770 0.96213E+00 -0.0168 4 SO4-- 0.25387E-04 -4.5954 0.22957E-04 -4.6391 0.90427E+00 -0.0437 5 HCO3- 0.54766E-05 -5.2615 0.52694E-05 -5.2782 0.96215E+00 -0.0168 6 HS- 0.21895E-13 -13.6597 0.21066E-13 -13.6764 0.96213E+00 -0.0168 7 Al+++ 0.28093E-15 -15.5514 0.22901E-15 -15.6401 0.81519E+00 -0.0887 8 H4SiO4 0.93580E-05 -5.0288 0.93580E-05 -5.0288 0.10000E+01 0.0000 9 Ca++ 0.15398E-04 -4.8125 0.13922E-04 -4.8563 0.90415E+00 -0.0438 10 Mg++ 0.71367E-06 -6.1465 0.64521E-06 -6.1903 0.90408E+00 -0.0438 11 Fe++ 0.42273E-06 -6.3739 0.38219E-06 -6.4177 0.90410E+00 -0.0438 12 K+ 0.19101E-06 -6.7189 0.18379E-06 -6.7357 0.96216E+00 -0.0168 13 Na+ 0.16119E-03 -3.7927 0.15509E-03 -3.8094 0.96213E+00 -0.0168 14 Mn++ 0.15435E-07 -7.8115 0.13955E-07 -7.8553 0.90411E+00 -0.0438 15 HPO4-- 0.41968E-09 -9.3771 0.37951E-09 -9.4208 0.90427E+00 -0.0437 16 HSiO3- 0.13473E-07 -7.8705 0.12963E-07 -7.8873 0.96213E+00 -0.0168 17 Ca(HSiO3)+ 0.42715E-11 -11.3694 0.41099E-11 -11.3862 0.96216E+00 -0.0168 18 Mg(HSiO3)+ 0.24637E-12 -12.6084 0.23704E-12 -12.6252 0.96216E+00 -0.0168 19 NaHSiO3,aq 0.32514E-10 -10.4879 0.32514E-10 -10.4879 0.10000E+01 0.0000 20 AlO+ 0.71260E-10 -10.1472 0.68563E-10 -10.1639 0.96216E+00 -0.0168 21 AlOH+2 0.25454E-12 -12.5942 0.23014E-12 -12.6380 0.90413E+00 -0.0438 22 HAlO2,aq 0.20256E-07 -7.6935 0.20256E-07 -7.6935 0.10000E+01 0.0000 23 AlO2- 0.69136E-07 -7.1603 0.66516E-07 -7.1771 0.96210E+00 -0.0168 29 CO,aq 0.13955E-16 -16.8553 0.13955E-16 -16.8553 0.10000E+01 0.0000 30 CO2,aq 0.75904E-05 -5.1197 0.75899E-05 -5.1198 0.99993E+00 0.0000 31 CO3-2 0.75509E-09 -9.1220 0.68278E-09 -9.1657 0.90423E+00 -0.0437 32 CaCO3,aq 0.11919E-09 -9.9238 0.11919E-09 -9.9238 0.10000E+01 0.0000 33 Ca(HCO3)+ 0.19463E-08 -8.7108 0.18726E-08 -8.7276 0.96216E+00 -0.0168 34 CaCl+ 0.31083E-08 -8.5075 0.29907E-08 -8.5242 0.96216E+00 -0.0168 35 CaCl2,aq 0.94313E-13 -13.0254 0.94313E-13 -13.0254 0.10000E+01 0.0000 36 CaOH+ 0.15298E-08 -8.8154 0.14719E-08 -8.8321 0.96216E+00 -0.0168 37 CaSO4,aq 0.10149E-06 -6.9936 0.10149E-06 -6.9936 0.10000E+01 0.0000 38 HCl,aq 0.16397E-10 -10.7852 0.16397E-10 -10.7852 0.10000E+01 0.0000 43 FeCl+ 0.83457E-10 -10.0785 0.80299E-10 -10.0953 0.96216E+00 -0.0168 44 FeCl2,aq 0.33746E-18 -18.4718 0.33746E-18 -18.4718 0.10000E+01 0.0000 46 FeO,aq 0.32689E-10 -10.4856 0.32689E-10 -10.4856 0.10000E+01 0.0000 47 FeOH+ 0.19181E-07 -7.7171 0.18455E-07 -7.7339 0.96216E+00 -0.0168 48 HFeO2- 0.52736E-12 -12.2779 0.50739E-12 -12.2947 0.96213E+00 -0.0168 49 FeO+ 0.53476E-11 -11.2718 0.51453E-11 -11.2886 0.96216E+00 -0.0168 50 FeOH+2 0.73260E-15 -15.1351 0.66236E-15 -15.1789 0.90413E+00 -0.0438 51 FeO2- 0.24082E-11 -11.6183 0.23170E-11 -11.6351 0.96213E+00 -0.0168 52 HFeO2,aq 0.19864E-09 -9.7019 0.19864E-09 -9.7019 0.10000E+01 0.0000 53 H2,aq 0.73199E-10 -10.1355 0.73193E-10 -10.1355 0.99993E+00 0.0000 54 KCl,aq 0.44215E-12 -12.3544 0.44215E-12 -12.3544 0.10000E+01 0.0000 55 KHSO4,aq 0.80414E-17 -17.0947 0.80414E-17 -17.0947 0.10000E+01 0.0000 56 KOH,aq 0.11643E-12 -12.9339 0.11643E-12 -12.9339 0.10000E+01 0.0000 57 KSO4- 0.68048E-10 -10.1672 0.65471E-10 -10.1840 0.96213E+00 -0.0168 58 MgCO3,aq 0.13846E-11 -11.8587 0.13846E-11 -11.8587 0.10000E+01 0.0000 59 Mg(HCO3)+ 0.92166E-10 -10.0354 0.88678E-10 -10.0522 0.96216E+00 -0.0168 60 MgCl+ 0.13056E-09 -9.8842 0.12562E-09 -9.9009 0.96216E+00 -0.0168 61 MgOH+ 0.39232E-09 -9.4064 0.37747E-09 -9.4231 0.96216E+00 -0.0168 63 MnO,aq 0.31804E-13 -13.4975 0.31804E-13 -13.4975 0.10000E+01 0.0000 64 MnOH+ 0.65063E-10 -10.1867 0.62601E-10 -10.2034 0.96216E+00 -0.0168 66 HMnO2- 0.35655E-18 -18.4479 0.34304E-18 -18.4647 0.96213E+00 -0.0168 69 MnCl+ 0.11856E-10 -10.9261 0.11407E-10 -10.9428 0.96216E+00 -0.0168 70 MnSO4,aq 0.92488E-10 -10.0339 0.92488E-10 -10.0339 0.10000E+01 0.0000 71 NaCl,aq 0.68223E-08 -8.1661 0.68223E-08 -8.1661 0.10000E+01 0.0000 72 NaOH,aq 0.98849E-10 -10.0050 0.98849E-10 -10.0050 0.10000E+01 0.0000 74 OH- 0.89088E-06 -6.0502 0.85711E-06 -6.0670 0.96210E+00 -0.0168 82 H3PO4,aq 0.12061E-11 -11.9186 0.12061E-11 -11.9186 0.10000E+01 0.0000 83 H2PO4- 0.49049E-08 -8.3094 0.47192E-08 -8.3261 0.96214E+00 -0.0168 84 PO4-3 0.56298E-15 -15.2495 0.45934E-15 -15.3379 0.81590E+00 -0.0884 87 H2P2O7-2 0.19312E-17 -17.7142 0.17463E-17 -17.7579 0.90423E+00 -0.0437 88 HP2O7-3 0.63454E-18 -18.1975 0.51728E-18 -18.2863 0.81520E+00 -0.0887 90 H2S,aq 0.43892E-13 -13.3576 0.43888E-13 -13.3577 0.99993E+00 0.0000 96 SO2,aq 0.34099E-17 -17.4673 0.34099E-17 -17.4673 0.10000E+01 0.0000 97 SO3-2 0.24142E-15 -15.6172 0.21835E-15 -15.6608 0.90447E+00 -0.0436 98 HSO3- 0.95787E-14 -14.0187 0.92159E-14 -14.0355 0.96213E+00 -0.0168 99 HSO4- 0.15500E-07 -7.8097 0.14914E-07 -7.8264 0.96218E+00 -0.0167 101 S2O3-2 0.13089E-19 -19.8831 0.11835E-19 -19.9268 0.90423E+00 -0.0437 Charge balance for all species = 0.7000E-15 Component Molality Aq.molality ppm log[A(N)/A(H+)**Z] (total) 1 H+ 0.7005536E-06 0.7046969E-05 0.7102843E-02 0.0000 2 H2O 0.1000000E+01 0.5550824E+02 0.9999866E+06 0.0000 3 Cl- 0.1379640E-03 0.1379742E-03 0.4891545E+01 2.2943 4 SO4-- 0.2538732E-04 0.2550448E-04 0.2449974E+01 7.7035 5 HCO3- 0.5476641E-05 0.1307000E-04 0.7974861E+00 0.8930 6 HS- 0.2189517E-13 -.7432070E-11 -.2457907E-06 -7.5051 7 Al+++ 0.2809295E-15 0.8946347E-07 0.2413832E-02 2.8737 8 H4SiO4 0.9357997E-05 0.9371506E-05 0.9007361E+00 -5.0288 9 Ca++ 0.1539799E-04 0.1550619E-04 0.6214502E+00 7.4863 10 Mg++ 0.7136692E-06 0.7142859E-06 0.1736553E-01 6.1523 11 Fe++ 0.4227266E-06 0.4422307E-06 0.2469699E-01 5.9248 12 K+ 0.1910142E-06 0.1910828E-06 0.7471638E-02 -0.5644 13 Na+ 0.1611938E-03 0.1612008E-03 0.3705932E+01 2.3619 14 Mn++ 0.1543530E-07 0.1560474E-07 0.8572837E-03 4.4873 15 HPO4-- 0.4196833E-09 0.5325820E-08 0.5111612E-03 2.9218 Component Tot moles Aq. moles Solid moles Gas moles 1 H+ -.1862664E-05 0.7046968E-05 -.8909632E-05 0.0000000E+00 2 H2O 0.5550824E+02 0.5550823E+02 0.5889885E-05 0.0000000E+00 3 Cl- 0.1379742E-03 0.1379742E-03 0.0000000E+00 0.0000000E+00 4 SO4-- 0.2552941E-04 0.2550448E-04 0.2493464E-07 0.0000000E+00 5 HCO3- 0.1307000E-04 0.1307000E-04 0.0000000E+00 0.0000000E+00 6 HS- -.2494207E-07 -.7432069E-11 -.2493464E-07 0.0000000E+00 7 Al+++ 0.2934667E-05 0.8946345E-07 0.2845204E-05 0.0000000E+00 8 H4SiO4 0.9371505E-05 0.9371505E-05 0.0000000E+00 0.0000000E+00 9 Ca++ 0.1550619E-04 0.1550619E-04 0.0000000E+00 0.0000000E+00 10 Mg++ 0.7142857E-06 0.7142857E-06 0.0000000E+00 0.0000000E+00 11 Fe++ 0.6417077E-06 0.4422306E-06 0.1994771E-06 0.0000000E+00 12 K+ 0.1910828E-06 0.1910828E-06 0.0000000E+00 0.0000000E+00 13 Na+ 0.1612007E-03 0.1612007E-03 0.0000000E+00 0.0000000E+00 14 Mn++ 0.1560474E-07 0.1560474E-07 0.0000000E+00 0.0000000E+00 15 HPO4-- 0.5325819E-08 0.5325819E-08 0.0000000E+00 0.0000000E+00 Chg. balance for solid moles: -.2647E-21 Mass of aqueous solution: 0.100001E+04 g Temperature = 100.00 C Pressure = 50.00 bar Mixer frac. = 0.0009000 Log Log Vol Gas or mineral Moles Moles Grams Grams Wt.% (cm3) diaspore 0.2845E-05 -5.546 0.1707E-03 -3.768 91.46 0.5081E-04 hematite 0.9974E-07 -7.001 0.1593E-04 -4.798 8.535 0.3019E-05 Partial press. Fugacity coef Log fugacity Gas or Mineral Mole fraction or activity Activity coef Log activity diaspore 0.1000E+01 0.1000E+01 1.0000 0.000 hematite 0.1000E+01 0.1000E+01 1.0000 0.000 Solid products produced: Mass = 0.000187 g Volume = 0.000054 cm3 Porosity: 99.9946% V(tot) - V(min): 0.10003E+01 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: 0.0009000 g log = -3.0458 Original solution: 1000.0102895 g Original solution / Rock added: 1111122.54 (Water/Rock Ratio), log = 6.0458 Gas composition at saturation ( 2 iterations) ------------------------------------------------- Temperature: 100.0000 deg.C Sat. pressure: 1.0211 bar Gas Mole fraction phi Fugacity Partial P(bar) H2O,gas 0.9992E+00 0.9859 0.1006E+01 0.1020E+01 CO2,gas 0.7897E-03 1.0071 0.8120E-03 0.8063E-03 CH4,gas 0.6687E-17 1.0125 0.6914E-17 0.6828E-17 H2,gas 0.9406E-07 1.0005 0.9609E-07 0.9604E-07 H2S,gas 0.1186E-11 0.9960 0.1206E-11 0.1211E-11 S2,gas 0.5794E-29 1.0000 0.5917E-29 0.5917E-29 CO,gas 0.2037E-13 1.0000 0.2080E-13 0.2080E-13 SO3,gas 0.3863E-32 1.0000 0.3944E-32 0.3944E-32 SO2,gas 0.1444E-16 1.0000 0.1475E-16 0.1475E-16 HCl,gas 0.2833E-13 1.0000 0.2893E-13 0.2893E-13 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 65 diaspore 2.87 2.87 0.00 0.000 0.30331E-11 90 hematite 12.57 12.57 0.00 0.000 0.00000E+00 The following gases and minerals are presently EXCLUDED from matrix (Gases and minerals with log(Q/K) less than -5 are not listed below) Gas or Mineral Log K Log Q Log(Q/K) Log(Q/K)/S Affinity Log Fugacity 1 H2O,gas 1.70 0.00 -1.70 -1.696 0.28965E+04 0.003 2 CO2,gas -6.66 -11.45 -4.79 -1.596 0.81778E+04 -3.090 3 CH4,gas 4.54 -14.32 -18.86 -4.715 0.32202E+05 -17.160 4 H2,gas 8.00 -0.72 -8.72 -4.981 0.14883E+05 -7.017 5 H2S,gas -6.23 -19.85 -13.62 -6.809 0.23251E+05 -11.918 6 S2,gas -7.34 -38.26 -30.93 -4.758 0.52807E+05 -29.228 7 CO,gas 3.21 -12.17 -15.38 -4.733 0.26263E+05 -13.682 8 SO3,gas 17.12 -16.98 -34.10 -8.526 0.58230E+05 -32.404 9 SO2,gas 0.83 -17.70 -18.53 -4.941 0.31640E+05 -16.831 10 HCl,gas 5.19 -10.05 -15.24 -7.619 0.26018E+05 -13.539 21 andalusite 5.00 0.72 -4.28 -0.428 0.73130E+04 24 anhydrite -5.32 -9.50 -4.18 -2.089 0.71348E+04 35 aragonite 0.97 -3.96 -4.93 -1.643 0.84175E+04 37 calcite 0.81 -3.96 -4.78 -1.592 0.81532E+04 51 chloritoid-Fe 9.17 6.64 -2.53 -0.169 0.43203E+04 54 coesite -2.38 -5.03 -2.65 -0.884 0.45295E+04 59 corundum 8.38 5.75 -2.64 -0.240 0.45004E+04 61 cristobalite -2.56 -5.03 -2.47 -0.823 0.42149E+04 83 gibbsite 4.08 2.87 -1.21 -0.172 0.20585E+04 98 kaolinite -1.33 -4.31 -2.98 -0.271 0.50840E+04 99 kyanite 4.88 0.72 -4.16 -0.416 0.70989E+04 107 magnetite 20.09 18.49 -1.60 -0.130 0.27258E+04 147 quartz -2.99 -5.03 -2.04 -0.680 0.34822E+04 155 siderite -2.61 -5.52 -2.92 -0.972 0.49799E+04 156 sillimanite 5.26 0.72 -4.54 -0.454 0.77570E+04 177 topaz-H 4.62 0.72 -3.90 -0.355 0.66590E+04 178 tridymite -2.63 -5.03 -2.40 -0.801 0.41022E+04 192 akaganeite 7.75 6.28 -1.47 -0.318 0.25125E+04 199 chalcedony -2.80 -5.03 -2.23 -0.742 0.38015E+04 214 gypsum -4.96 -9.50 -4.54 -1.135 0.77524E+04 233 boehmite 4.41 2.87 -1.53 -0.255 0.26169E+04 235 ferrous-oxide 9.81 5.92 -3.89 -0.972 0.66365E+04 240 silica-amorphous -2.09 -5.03 -2.94 -0.979 0.50157E+04 Calculations done for 100.0000 Deg. C; 50.0000 bar Next reactant titration increment of: 0.0001000 g Current total amount of reactant added: 0.0009000 g New total amount of reactant added: 0.0010000 g Solids and gases carried Charge balance check after fractionation or titration: TBAL = 0.7000E-15 ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ 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 = 0.0010000 Water: Moles liquid = 0.5551E+02 kg liquid = 0.1000E+01 Moles total = 0.5551E+02 kg total = 0.1000E+01 Activity = 1.0000 Stoichiometric ionic strength = .2416040E-03 Osmotic coef. = 0.9906 True ionic strength = .2379361E-03 Chg. balance for total moles = 0.7000E-15 Max. difference allowed = 0.1380E-07 Log Log Log Species(n) Molality Molality Activity Activity Gamma Gamma 1 H+ 0.61655E-06 -6.2100 0.59324E-06 -6.2268 0.96220E+00 -0.0167 2 H2O 0.10000E+01 0.0000 0.10000E+01 0.0000 3 Cl- 0.13796E-03 -3.8602 0.13273E-03 -3.8770 0.96210E+00 -0.0168 4 SO4-- 0.25388E-04 -4.5954 0.22955E-04 -4.6391 0.90415E+00 -0.0438 5 HCO3- 0.58867E-05 -5.2301 0.56637E-05 -5.2469 0.96212E+00 -0.0168 6 HS- 0.32864E-12 -12.4833 0.31618E-12 -12.5001 0.96210E+00 -0.0168 7 Al+++ 0.19154E-15 -15.7177 0.15609E-15 -15.8066 0.81494E+00 -0.0889 8 H4SiO4 0.10396E-04 -4.9831 0.10396E-04 -4.9831 0.10000E+01 0.0000 9 Ca++ 0.15512E-04 -4.8093 0.14023E-04 -4.8532 0.90403E+00 -0.0438 10 Mg++ 0.79290E-06 -6.1008 0.71675E-06 -6.1446 0.90396E+00 -0.0439 11 Fe++ 0.46679E-06 -6.3309 0.42197E-06 -6.3747 0.90398E+00 -0.0438 12 K+ 0.21224E-06 -6.6732 0.20420E-06 -6.6899 0.96212E+00 -0.0168 13 Na+ 0.16132E-03 -3.7923 0.15520E-03 -3.8091 0.96209E+00 -0.0168 14 Mn++ 0.17141E-07 -7.7660 0.15495E-07 -7.8098 0.90399E+00 -0.0438 15 HPO4-- 0.52430E-09 -9.2804 0.47405E-09 -9.3242 0.90415E+00 -0.0438 16 HSiO3- 0.17007E-07 -7.7694 0.16363E-07 -7.7861 0.96210E+00 -0.0168 17 Ca(HSiO3)+ 0.54313E-11 -11.2651 0.52256E-11 -11.2819 0.96213E+00 -0.0168 18 Mg(HSiO3)+ 0.34548E-12 -12.4616 0.33239E-12 -12.4783 0.96213E+00 -0.0168 19 NaHSiO3,aq 0.41074E-10 -10.3864 0.41074E-10 -10.3864 0.10000E+01 0.0000 20 AlO+ 0.62715E-10 -10.2026 0.60340E-10 -10.2194 0.96213E+00 -0.0168 21 AlOH+2 0.19717E-12 -12.7052 0.17824E-12 -12.7490 0.90400E+00 -0.0438 22 HAlO2,aq 0.20256E-07 -7.6935 0.20256E-07 -7.6935 0.10000E+01 0.0000 23 AlO2- 0.78562E-07 -7.1048 0.75581E-07 -7.1216 0.96206E+00 -0.0168 24 CH4,aq 0.75786E-19 -19.1204 0.75780E-19 -19.1204 0.99993E+00 0.0000 29 CO,aq 0.26827E-16 -16.5714 0.26827E-16 -16.5714 0.10000E+01 0.0000 30 CO2,aq 0.71800E-05 -5.1439 0.71794E-05 -5.1439 0.99993E+00 0.0000 31 CO3-2 0.92235E-09 -9.0351 0.83390E-09 -9.0789 0.90411E+00 -0.0438 32 CaCO3,aq 0.14663E-09 -9.8338 0.14663E-09 -9.8338 0.10000E+01 0.0000 33 Ca(HCO3)+ 0.21072E-08 -8.6763 0.20274E-08 -8.6931 0.96213E+00 -0.0168 34 CaCl+ 0.31308E-08 -8.5043 0.30123E-08 -8.5211 0.96213E+00 -0.0168 35 CaCl2,aq 0.94991E-13 -13.0223 0.94991E-13 -13.0223 0.10000E+01 0.0000 36 CaOH+ 0.17510E-08 -8.7567 0.16847E-08 -8.7735 0.96213E+00 -0.0168 37 CaSO4,aq 0.10222E-06 -6.9905 0.10222E-06 -6.9905 0.10000E+01 0.0000 38 HCl,aq 0.14429E-10 -10.8408 0.14429E-10 -10.8408 0.10000E+01 0.0000 43 FeCl+ 0.92144E-10 -10.0355 0.88654E-10 -10.0523 0.96213E+00 -0.0168 44 FeCl2,aq 0.37256E-18 -18.4288 0.37256E-18 -18.4288 0.10000E+01 0.0000 46 FeO,aq 0.46600E-10 -10.3316 0.46600E-10 -10.3316 0.10000E+01 0.0000 47 FeOH+ 0.24065E-07 -7.6186 0.23153E-07 -7.6354 0.96213E+00 -0.0168 48 HFeO2- 0.85427E-12 -12.0684 0.82189E-12 -12.0852 0.96210E+00 -0.0168 49 FeO+ 0.47064E-11 -11.3273 0.45281E-11 -11.3441 0.96213E+00 -0.0168 50 FeOH+2 0.56747E-15 -15.2461 0.51300E-15 -15.2899 0.90400E+00 -0.0438 51 FeO2- 0.27365E-11 -11.5628 0.26327E-11 -11.5796 0.96210E+00 -0.0168 52 HFeO2,aq 0.19864E-09 -9.7019 0.19864E-09 -9.7019 0.10000E+01 0.0000 53 H2,aq 0.14876E-09 -9.8275 0.14874E-09 -9.8276 0.99993E+00 0.0000 54 KCl,aq 0.49124E-12 -12.3087 0.49124E-12 -12.3087 0.10000E+01 0.0000 55 KHSO4,aq 0.78622E-17 -17.1045 0.78622E-17 -17.1045 0.10000E+01 0.0000 56 KOH,aq 0.14700E-12 -12.8327 0.14700E-12 -12.8327 0.10000E+01 0.0000 57 KSO4- 0.75602E-10 -10.1215 0.72737E-10 -10.1382 0.96210E+00 -0.0168 58 MgCO3,aq 0.18785E-11 -11.7262 0.18785E-11 -11.7262 0.10000E+01 0.0000 59 Mg(HCO3)+ 0.11005E-09 -9.9584 0.10588E-09 -9.9752 0.96213E+00 -0.0168 60 MgCl+ 0.14503E-09 -9.8385 0.13954E-09 -9.8553 0.96213E+00 -0.0168 61 MgOH+ 0.49523E-09 -9.3052 0.47647E-09 -9.3220 0.96213E+00 -0.0168 63 MnO,aq 0.45595E-13 -13.3411 0.45595E-13 -13.3411 0.10000E+01 0.0000 64 MnOH+ 0.82090E-10 -10.0857 0.78981E-10 -10.1025 0.96213E+00 -0.0168 66 HMnO2- 0.58084E-18 -18.2359 0.55882E-18 -18.2527 0.96210E+00 -0.0168 69 MnCl+ 0.13164E-10 -10.8806 0.12665E-10 -10.8974 0.96213E+00 -0.0168 70 MnSO4,aq 0.10268E-09 -9.9885 0.10268E-09 -9.9885 0.10000E+01 0.0000 71 NaCl,aq 0.68272E-08 -8.1658 0.68272E-08 -8.1658 0.10000E+01 0.0000 72 NaOH,aq 0.11241E-09 -9.9492 0.11241E-09 -9.9492 0.10000E+01 0.0000 74 OH- 0.10123E-05 -5.9947 0.97393E-06 -6.0115 0.96206E+00 -0.0168 82 H3PO4,aq 0.11668E-11 -11.9330 0.11668E-11 -11.9330 0.10000E+01 0.0000 83 H2PO4- 0.53921E-08 -8.2682 0.51878E-08 -8.2850 0.96211E+00 -0.0168 84 PO4-3 0.79931E-15 -15.0973 0.65196E-15 -15.1858 0.81566E+00 -0.0885 87 H2P2O7-2 0.23341E-17 -17.6319 0.21103E-17 -17.6757 0.90411E+00 -0.0438 88 HP2O7-3 0.87157E-18 -18.0597 0.71029E-18 -18.1486 0.81495E+00 -0.0889 90 H2S,aq 0.57976E-12 -12.2368 0.57971E-12 -12.2368 0.99993E+00 0.0000 96 SO2,aq 0.53665E-17 -17.2703 0.53665E-17 -17.2703 0.10000E+01 0.0000 97 SO3-2 0.49063E-15 -15.3092 0.44370E-15 -15.3529 0.90435E+00 -0.0437 98 HSO3- 0.17130E-13 -13.7662 0.16481E-13 -13.7830 0.96210E+00 -0.0168 99 HSO4- 0.13640E-07 -7.8652 0.13124E-07 -7.8819 0.96214E+00 -0.0168 101 S2O3-2 0.17290E-18 -18.7622 0.15632E-18 -18.8060 0.90411E+00 -0.0438 Charge balance for all species = 0.7001E-15 Component Molality Aq.molality ppm log[A(N)/A(H+)**Z] (total) 1 H+ 0.6165467E-06 0.6382957E-05 0.6433565E-02 0.0000 2 H2O 0.1000000E+01 0.5550824E+02 0.9999865E+06 0.0000 3 Cl- 0.1379640E-03 0.1379742E-03 0.4891545E+01 2.3498 4 SO4-- 0.2538844E-04 0.2550446E-04 0.2449972E+01 7.8144 5 HCO3- 0.5886735E-05 0.1307000E-04 0.7974861E+00 0.9799 6 HS- 0.3286372E-12 0.1234086E-10 0.4081323E-06 -6.2733 7 Al+++ 0.1915397E-15 0.9888021E-07 0.2667907E-02 2.8737 8 H4SiO4 0.1039573E-04 0.1041279E-04 0.1000818E+01 -4.9831 9 Ca++ 0.1551185E-04 0.1562121E-04 0.6260597E+00 7.6004 10 Mg++ 0.7928984E-06 0.7936510E-06 0.1929503E-01 6.3089 11 Fe++ 0.4667922E-06 0.4912027E-06 0.2743189E-01 6.0788 12 K+ 0.2122380E-06 0.2123143E-06 0.8301820E-02 -0.4632 13 Na+ 0.1613193E-03 0.1613263E-03 0.3708817E+01 2.4177 14 Mn++ 0.1714062E-07 0.1733860E-07 0.9525373E-03 4.6437 15 HPO4-- 0.5243013E-09 0.5917578E-08 0.5679569E-03 3.1294 Component Tot moles Aq. moles Solid moles Gas moles 1 H+ -.3518515E-05 0.6382955E-05 -.9901471E-05 0.0000000E+00 2 H2O 0.5550824E+02 0.5550823E+02 0.6545529E-05 0.0000000E+00 3 Cl- 0.1379742E-03 0.1379742E-03 0.0000000E+00 0.0000000E+00 4 SO4-- 0.2553218E-04 0.2550446E-04 0.2772575E-07 0.0000000E+00 5 HCO3- 0.1307000E-04 0.1307000E-04 0.0000000E+00 0.0000000E+00 6 HS- -.2771341E-07 0.1234085E-10 -.2772575E-07 0.0000000E+00 7 Al+++ 0.3260742E-05 0.9888019E-07 0.3161861E-05 0.0000000E+00 8 H4SiO4 0.1041278E-04 0.1041278E-04 0.0000000E+00 0.0000000E+00 9 Ca++ 0.1562120E-04 0.1562120E-04 0.0000000E+00 0.0000000E+00 10 Mg++ 0.7936508E-06 0.7936508E-06 0.0000000E+00 0.0000000E+00 11 Fe++ 0.7130086E-06 0.4912026E-06 0.2218060E-06 0.0000000E+00 12 K+ 0.2123142E-06 0.2123142E-06 0.0000000E+00 0.0000000E+00 13 Na+ 0.1613262E-03 0.1613262E-03 0.0000000E+00 0.0000000E+00 14 Mn++ 0.1733860E-07 0.1733860E-07 0.0000000E+00 0.0000000E+00 15 HPO4-- 0.5917577E-08 0.5917577E-08 0.0000000E+00 0.0000000E+00 Chg. balance for solid moles: 0.7412E-21 Mass of aqueous solution: 0.100001E+04 g Temperature = 100.00 C Pressure = 50.00 bar Mixer frac. = 0.0010000 Log Log Vol Gas or mineral Moles Moles Grams Grams Wt.% (cm3) diaspore 0.3162E-05 -5.500 0.1897E-03 -3.722 91.46 0.5647E-04 hematite 0.1109E-06 -6.955 0.1771E-04 -4.752 8.540 0.3357E-05 Partial press. Fugacity coef Log fugacity Gas or Mineral Mole fraction or activity Activity coef Log activity diaspore 0.1000E+01 0.1000E+01 1.0000 0.000 hematite 0.1000E+01 0.1000E+01 1.0000 0.000 Solid products produced: Mass = 0.000207 g Volume = 0.000060 cm3 Porosity: 99.9940% V(tot) - V(min): 0.10003E+01 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: 0.0010000 g log = -3.0000 Original solution: 1000.0102895 g Original solution / Rock added: 1000010.29 (Water/Rock Ratio), log = 6.0000 Gas composition at saturation ( 2 iterations) ------------------------------------------------- Temperature: 100.0000 deg.C Sat. pressure: 1.0211 bar Gas Mole fraction phi Fugacity Partial P(bar) H2O,gas 0.9993E+00 0.9859 0.1006E+01 0.1020E+01 CO2,gas 0.7470E-03 1.0071 0.7681E-03 0.7627E-03 CH4,gas 0.1079E-15 1.0125 0.1115E-15 0.1102E-15 H2,gas 0.1912E-06 1.0005 0.1953E-06 0.1952E-06 H2S,gas 0.1567E-10 0.9960 0.1594E-10 0.1600E-10 S2,gas 0.2448E-27 1.0000 0.2500E-27 0.2500E-27 CO,gas 0.3915E-13 1.0000 0.3998E-13 0.3998E-13 SO3,gas 0.2992E-32 1.0000 0.3055E-32 0.3055E-32 SO2,gas 0.2273E-16 1.0000 0.2321E-16 0.2321E-16 HCl,gas 0.2494E-13 1.0000 0.2546E-13 0.2546E-13 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 65 diaspore 2.87 2.87 0.00 0.000 -0.30331E-11 90 hematite 12.57 12.57 0.00 0.000 -0.98878E-08 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 -1.696 0.28965E+04 0.003 2 CO2,gas -6.66 -11.47 -4.81 -1.605 0.82190E+04 -3.115 3 CH4,gas 4.54 -13.11 -17.65 -4.413 0.30140E+05 -15.953 4 H2,gas 8.00 -0.41 -8.41 -4.805 0.14357E+05 -6.709 5 H2S,gas -6.23 -18.73 -12.50 -6.248 0.21338E+05 -10.798 6 S2,gas -7.34 -36.64 -29.30 -4.508 0.50031E+05 -27.602 7 CO,gas 3.21 -11.88 -15.10 -4.645 0.25778E+05 -13.398 8 SO3,gas 17.12 -17.09 -34.21 -8.554 0.58420E+05 -32.515 9 SO2,gas 0.83 -17.50 -18.33 -4.889 0.31304E+05 -16.634 10 HCl,gas 5.19 -10.10 -15.29 -7.647 0.26113E+05 -13.594 21 andalusite 5.00 0.76 -4.24 -0.424 0.72350E+04 24 anhydrite -5.32 -9.49 -4.18 -2.088 0.71295E+04 35 aragonite 0.97 -3.87 -4.84 -1.613 0.82638E+04 37 calcite 0.81 -3.87 -4.69 -1.562 0.79996E+04 41 carpholite-Fe 6.71 1.86 -4.85 -0.324 0.82859E+04 51 chloritoid-Fe 9.17 6.84 -2.33 -0.155 0.39794E+04 54 coesite -2.38 -4.98 -2.61 -0.869 0.44515E+04 59 corundum 8.38 5.75 -2.64 -0.240 0.45004E+04 61 cristobalite -2.56 -4.98 -2.42 -0.808 0.41369E+04 83 gibbsite 4.08 2.87 -1.21 -0.172 0.20585E+04 98 kaolinite -1.33 -4.22 -2.89 -0.262 0.49280E+04 99 kyanite 4.88 0.76 -4.11 -0.411 0.70209E+04 107 magnetite 20.09 18.64 -1.44 -0.118 0.24628E+04 147 quartz -2.99 -4.98 -1.99 -0.665 0.34042E+04 155 siderite -2.61 -5.39 -2.79 -0.929 0.47582E+04 156 sillimanite 5.26 0.76 -4.50 -0.450 0.76790E+04 177 topaz-H 4.62 0.76 -3.85 -0.350 0.65810E+04 178 tridymite -2.63 -4.98 -2.36 -0.786 0.40242E+04 192 akaganeite 7.75 6.28 -1.47 -0.318 0.25125E+04 199 chalcedony -2.80 -4.98 -2.18 -0.727 0.37235E+04 214 gypsum -4.96 -9.49 -4.54 -1.134 0.77471E+04 233 boehmite 4.41 2.87 -1.53 -0.255 0.26169E+04 235 ferrous-oxide 9.81 6.08 -3.73 -0.933 0.63736E+04 240 silica-amorphous -2.09 -4.98 -2.89 -0.964 0.49377E+04 Calculations done for 100.0000 Deg. C; 50.0000 bar Next reactant titration increment of: 0.0001000 g Current total amount of reactant added: 0.0010000 g New total amount of reactant added: 0.0011000 g Solids and gases carried Charge balance check after fractionation or titration: TBAL = 0.6999E-15 ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ 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 = 0.0011000 Water: Moles liquid = 0.5551E+02 kg liquid = 0.1000E+01 Moles total = 0.5551E+02 kg total = 0.1000E+01 Activity = 1.0000 Stoichiometric ionic strength = .2422152E-03 Osmotic coef. = 0.9906 True ionic strength = .2387312E-03 Chg. balance for total moles = 0.6999E-15 Max. difference allowed = 0.1380E-07 Log Log Log Species(n) Molality Molality Activity Activity Gamma Gamma 1 H+ 0.54420E-06 -6.2642 0.52361E-06 -6.2810 0.96217E+00 -0.0168 2 H2O 0.10000E+01 0.0000 0.10000E+01 0.0000 3 Cl- 0.13796E-03 -3.8602 0.13273E-03 -3.8770 0.96206E+00 -0.0168 4 SO4-- 0.25389E-04 -4.5953 0.22953E-04 -4.6392 0.90402E+00 -0.0438 5 HCO3- 0.62925E-05 -5.2012 0.60539E-05 -5.2180 0.96209E+00 -0.0168 6 HS- 0.43239E-11 -11.3641 0.41599E-11 -11.3809 0.96206E+00 -0.0168 7 Al+++ 0.13174E-15 -15.8803 0.10733E-15 -15.9693 0.81470E+00 -0.0890 8 H4SiO4 0.11433E-04 -4.9418 0.11433E-04 -4.9418 0.10000E+01 0.0000 9 Ca++ 0.15626E-04 -4.8062 0.14124E-04 -4.8500 0.90391E+00 -0.0439 10 Mg++ 0.87211E-06 -6.0594 0.78824E-06 -6.1033 0.90384E+00 -0.0439 11 Fe++ 0.50982E-06 -6.2926 0.46080E-06 -6.3365 0.90385E+00 -0.0439 12 K+ 0.23346E-06 -6.6318 0.22461E-06 -6.6486 0.96209E+00 -0.0168 13 Na+ 0.16144E-03 -3.7920 0.15532E-03 -3.8088 0.96206E+00 -0.0168 14 Mn++ 0.18843E-07 -7.7249 0.17031E-07 -7.7687 0.90387E+00 -0.0439 15 HPO4-- 0.64589E-09 -9.1898 0.58390E-09 -9.2337 0.90403E+00 -0.0438 16 HSiO3- 0.21192E-07 -7.6738 0.20388E-07 -7.6906 0.96206E+00 -0.0168 17 Ca(HSiO3)+ 0.68164E-11 -11.1664 0.65580E-11 -11.1832 0.96210E+00 -0.0168 18 Mg(HSiO3)+ 0.47342E-12 -12.3248 0.45548E-12 -12.3415 0.96210E+00 -0.0168 19 NaHSiO3,aq 0.51216E-10 -10.2906 0.51216E-10 -10.2906 0.10000E+01 0.0000 20 AlO+ 0.55356E-10 -10.2568 0.53257E-10 -10.2736 0.96210E+00 -0.0168 21 AlOH+2 0.15362E-12 -12.8135 0.13886E-12 -12.8574 0.90388E+00 -0.0439 22 HAlO2,aq 0.20256E-07 -7.6935 0.20256E-07 -7.6935 0.10000E+01 0.0000 23 AlO2- 0.89012E-07 -7.0506 0.85632E-07 -7.0674 0.96203E+00 -0.0168 24 CH4,aq 0.10659E-17 -17.9723 0.10658E-17 -17.9723 0.99992E+00 0.0000 29 CO,aq 0.49731E-16 -16.3034 0.49731E-16 -16.3034 0.10000E+01 0.0000 30 CO2,aq 0.67738E-05 -5.1692 0.67733E-05 -5.1692 0.99992E+00 0.0000 31 CO3-2 0.11171E-08 -8.9519 0.10099E-08 -8.9957 0.90399E+00 -0.0438 32 CaCO3,aq 0.17885E-09 -9.7475 0.17885E-09 -9.7475 0.10000E+01 0.0000 33 Ca(HCO3)+ 0.22686E-08 -8.6442 0.21826E-08 -8.6610 0.96210E+00 -0.0168 34 CaCl+ 0.31534E-08 -8.5012 0.30339E-08 -8.5180 0.96210E+00 -0.0168 35 CaCl2,aq 0.95669E-13 -13.0192 0.95669E-13 -13.0192 0.10000E+01 0.0000 36 CaOH+ 0.19982E-08 -8.6994 0.19225E-08 -8.7161 0.96210E+00 -0.0168 37 CaSO4,aq 0.10294E-06 -6.9874 0.10294E-06 -6.9874 0.10000E+01 0.0000 38 HCl,aq 0.12735E-10 -10.8950 0.12735E-10 -10.8950 0.10000E+01 0.0000 43 FeCl+ 0.10062E-09 -9.9973 0.96809E-10 -10.0141 0.96210E+00 -0.0168 44 FeCl2,aq 0.40682E-18 -18.3906 0.40682E-18 -18.3906 0.10000E+01 0.0000 46 FeO,aq 0.65322E-10 -10.1849 0.65322E-10 -10.1849 0.10000E+01 0.0000 47 FeOH+ 0.29775E-07 -7.5261 0.28646E-07 -7.5429 0.96210E+00 -0.0168 48 HFeO2- 0.13568E-11 -11.8675 0.13053E-11 -11.8843 0.96206E+00 -0.0168 49 FeO+ 0.41541E-11 -11.3815 0.39967E-11 -11.3983 0.96210E+00 -0.0168 50 FeOH+2 0.44214E-15 -15.3544 0.39964E-15 -15.3983 0.90388E+00 -0.0439 51 FeO2- 0.31005E-11 -11.5086 0.29828E-11 -11.5254 0.96206E+00 -0.0168 52 HFeO2,aq 0.19864E-09 -9.7019 0.19864E-09 -9.7019 0.10000E+01 0.0000 53 H2,aq 0.29230E-09 -9.5342 0.29228E-09 -9.5342 0.99992E+00 0.0000 54 KCl,aq 0.54033E-12 -12.2673 0.54033E-12 -12.2673 0.10000E+01 0.0000 55 KHSO4,aq 0.76323E-17 -17.1173 0.76323E-17 -17.1173 0.10000E+01 0.0000 56 KOH,aq 0.18319E-12 -12.7371 0.18319E-12 -12.7371 0.10000E+01 0.0000 57 KSO4- 0.83154E-10 -10.0801 0.79999E-10 -10.0969 0.96206E+00 -0.0168 58 MgCO3,aq 0.25019E-11 -11.6017 0.25019E-11 -11.6017 0.10000E+01 0.0000 59 Mg(HCO3)+ 0.12937E-09 -9.8882 0.12447E-09 -9.9049 0.96210E+00 -0.0168 60 MgCl+ 0.15950E-09 -9.7972 0.15346E-09 -9.8140 0.96210E+00 -0.0168 61 MgOH+ 0.61707E-09 -9.2097 0.59368E-09 -9.2264 0.96210E+00 -0.0168 63 MnO,aq 0.64332E-13 -13.1916 0.64332E-13 -13.1916 0.10000E+01 0.0000 64 MnOH+ 0.10223E-09 -9.9904 0.98358E-10 -10.0072 0.96210E+00 -0.0168 66 HMnO2- 0.92854E-18 -18.0322 0.89331E-18 -18.0490 0.96206E+00 -0.0168 69 MnCl+ 0.14469E-10 -10.8396 0.13920E-10 -10.8563 0.96210E+00 -0.0168 70 MnSO4,aq 0.11285E-09 -9.9475 0.11285E-09 -9.9475 0.10000E+01 0.0000 71 NaCl,aq 0.68320E-08 -8.1654 0.68320E-08 -8.1654 0.10000E+01 0.0000 72 NaOH,aq 0.12745E-09 -9.8947 0.12745E-09 -9.8947 0.10000E+01 0.0000 74 OH- 0.11470E-05 -5.9404 0.11034E-05 -5.9572 0.96203E+00 -0.0168 82 H3PO4,aq 0.11196E-11 -11.9509 0.11196E-11 -11.9509 0.10000E+01 0.0000 83 H2PO4- 0.58623E-08 -8.2319 0.56400E-08 -8.2487 0.96208E+00 -0.0168 84 PO4-3 0.11158E-14 -14.9524 0.90984E-15 -15.0410 0.81541E+00 -0.0886 87 H2P2O7-2 0.27591E-17 -17.5592 0.24942E-17 -17.6031 0.90399E+00 -0.0438 88 HP2O7-3 0.11675E-17 -17.9327 0.95116E-18 -18.0217 0.81470E+00 -0.0890 90 H2S,aq 0.67324E-11 -11.1718 0.67319E-11 -11.1719 0.99992E+00 0.0000 96 SO2,aq 0.82140E-17 -17.0854 0.82140E-17 -17.0854 0.10000E+01 0.0000 97 SO3-2 0.96410E-15 -15.0159 0.87177E-15 -15.0596 0.90422E+00 -0.0437 98 HSO3- 0.29707E-13 -13.5271 0.28580E-13 -13.5439 0.96206E+00 -0.0168 99 HSO4- 0.12038E-07 -7.9194 0.11582E-07 -7.9362 0.96211E+00 -0.0168 101 S2O3-2 0.20078E-17 -17.6973 0.18150E-17 -17.7411 0.90399E+00 -0.0438 Charge balance for all species = 0.7000E-15 Component Molality Aq.molality ppm log[A(N)/A(H+)**Z] (total) 1 H+ 0.5441989E-06 0.5716260E-05 0.5761582E-02 0.0000 2 H2O 0.1000000E+01 0.5550824E+02 0.9999863E+06 0.0000 3 Cl- 0.1379639E-03 0.1379742E-03 0.4891545E+01 2.4040 4 SO4-- 0.2538929E-04 0.2550442E-04 0.2449968E+01 7.9228 5 HCO3- 0.6292487E-05 0.1307000E-04 0.7974860E+00 1.0630 6 HS- 0.4323938E-11 0.5840147E-10 0.1931431E-05 -5.0999 7 Al+++ 0.1317415E-15 0.1093231E-06 0.2949667E-02 2.8737 8 H4SiO4 0.1143281E-04 0.1145406E-04 0.1100900E+01 -4.9418 9 Ca++ 0.1562567E-04 0.1573622E-04 0.6306691E+00 7.7119 10 Mg++ 0.8721072E-06 0.8730161E-06 0.2122453E-01 6.4586 11 Fe++ 0.5098163E-06 0.5399644E-06 0.3015505E-01 6.2255 12 K+ 0.2334618E-06 0.2335457E-06 0.9132001E-02 -0.3676 13 Na+ 0.1614448E-03 0.1614518E-03 0.3711703E+01 2.4722 14 Mn++ 0.1884284E-07 0.1907246E-07 0.1047791E-02 4.7932 15 HPO4-- 0.6458906E-09 0.6509336E-08 0.6247525E-03 3.3283 Component Tot moles Aq. moles Solid moles Gas moles 1 H+ -.5174367E-05 0.5716258E-05 -.1089063E-04 0.0000000E+00 2 H2O 0.5550824E+02 0.5550823E+02 0.7199331E-05 0.0000000E+00 3 Cl- 0.1379742E-03 0.1379742E-03 0.0000000E+00 0.0000000E+00 4 SO4-- 0.2553495E-04 0.2550441E-04 0.3054315E-07 0.0000000E+00 5 HCO3- 0.1307000E-04 0.1307000E-04 0.0000000E+00 0.0000000E+00 6 HS- -.3048475E-07 0.5840145E-10 -.3054315E-07 0.0000000E+00 7 Al+++ 0.3586816E-05 0.1093231E-06 0.3477493E-05 0.0000000E+00 8 H4SiO4 0.1145406E-04 0.1145406E-04 0.0000000E+00 0.0000000E+00 9 Ca++ 0.1573622E-04 0.1573622E-04 0.0000000E+00 0.0000000E+00 10 Mg++ 0.8730159E-06 0.8730159E-06 0.0000000E+00 0.0000000E+00 11 Fe++ 0.7843095E-06 0.5399642E-06 0.2443452E-06 0.0000000E+00 12 K+ 0.2335456E-06 0.2335456E-06 0.0000000E+00 0.0000000E+00 13 Na+ 0.1614518E-03 0.1614518E-03 0.0000000E+00 0.0000000E+00 14 Mn++ 0.1907246E-07 0.1907246E-07 0.0000000E+00 0.0000000E+00 15 HPO4-- 0.6509334E-08 0.6509334E-08 0.0000000E+00 0.0000000E+00 Chg. balance for solid moles: 0.5294E-21 Mass of aqueous solution: 0.100001E+04 g Temperature = 100.00 C Pressure = 50.00 bar Mixer frac. = 0.0011000 Log Log Vol Gas or mineral Moles Moles Grams Grams Wt.% (cm3) diaspore 0.3477E-05 -5.459 0.2086E-03 -3.681 91.45 0.6211E-04 hematite 0.1222E-06 -6.913 0.1951E-04 -4.710 8.553 0.3698E-05 Partial press. Fugacity coef Log fugacity Gas or Mineral Mole fraction or activity Activity coef Log activity diaspore 0.1000E+01 0.1000E+01 1.0000 0.000 hematite 0.1000E+01 0.1000E+01 1.0000 0.000 Solid products produced: Mass = 0.000228 g Volume = 0.000066 cm3 Porosity: 99.9934% V(tot) - V(min): 0.10004E+01 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: 0.0011000 g log = -2.9586 Original solution: 1000.0102895 g Original solution / Rock added: 909100.26 (Water/Rock Ratio), log = 5.9586 Gas composition at saturation ( 2 iterations) ------------------------------------------------- Temperature: 100.0000 deg.C Sat. pressure: 1.0210 bar Gas Mole fraction phi Fugacity Partial P(bar) H2O,gas 0.9993E+00 0.9859 0.1006E+01 0.1020E+01 CO2,gas 0.7048E-03 1.0071 0.7247E-03 0.7196E-03 CH4,gas 0.1517E-14 1.0125 0.1569E-14 0.1549E-14 H2,gas 0.3756E-06 1.0005 0.3837E-06 0.3835E-06 H2S,gas 0.1820E-09 0.9960 0.1851E-09 0.1858E-09 S2,gas 0.8550E-26 1.0000 0.8730E-26 0.8730E-26 CO,gas 0.7258E-13 1.0000 0.7411E-13 0.7411E-13 SO3,gas 0.2330E-32 1.0000 0.2379E-32 0.2379E-32 SO2,gas 0.3479E-16 1.0000 0.3552E-16 0.3552E-16 HCl,gas 0.2201E-13 1.0000 0.2247E-13 0.2247E-13 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 65 diaspore 2.87 2.87 0.00 0.000 0.00000E+00 90 hematite 12.57 12.57 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 -1.696 0.28965E+04 0.003 2 CO2,gas -6.66 -11.50 -4.84 -1.613 0.82622E+04 -3.140 3 CH4,gas 4.54 -11.96 -16.50 -4.126 0.28179E+05 -14.804 4 H2,gas 8.00 -0.12 -8.11 -4.637 0.13856E+05 -6.416 5 H2S,gas -6.23 -17.66 -11.43 -5.716 0.19519E+05 -9.733 6 S2,gas -7.34 -35.09 -27.76 -4.270 0.47396E+05 -26.059 7 CO,gas 3.21 -11.61 -14.83 -4.563 0.25320E+05 -13.130 8 SO3,gas 17.12 -17.20 -34.32 -8.581 0.58605E+05 -32.624 9 SO2,gas 0.83 -17.32 -18.15 -4.840 0.30988E+05 -16.450 10 HCl,gas 5.19 -10.16 -15.35 -7.674 0.26205E+05 -13.648 21 andalusite 5.00 0.81 -4.20 -0.420 0.71645E+04 24 anhydrite -5.32 -9.49 -4.17 -2.086 0.71243E+04 35 aragonite 0.97 -3.79 -4.75 -1.585 0.81165E+04 37 calcite 0.81 -3.79 -4.60 -1.533 0.78523E+04 41 carpholite-Fe 6.71 2.09 -4.62 -0.308 0.78944E+04 51 chloritoid-Fe 9.17 7.03 -2.14 -0.143 0.36584E+04 54 coesite -2.38 -4.94 -2.57 -0.855 0.43810E+04 59 corundum 8.38 5.75 -2.64 -0.240 0.45004E+04 61 cristobalite -2.56 -4.94 -2.38 -0.794 0.40664E+04 83 gibbsite 4.08 2.87 -1.21 -0.172 0.20585E+04 98 kaolinite -1.33 -4.14 -2.80 -0.255 0.47870E+04 99 kyanite 4.88 0.81 -4.07 -0.407 0.69504E+04 107 magnetite 20.09 18.79 -1.30 -0.106 0.22124E+04 147 quartz -2.99 -4.94 -1.95 -0.651 0.33337E+04 155 siderite -2.61 -5.27 -2.67 -0.888 0.45510E+04 156 sillimanite 5.26 0.81 -4.46 -0.446 0.76085E+04 177 topaz-H 4.62 0.81 -3.81 -0.347 0.65105E+04 178 tridymite -2.63 -4.94 -2.32 -0.772 0.39537E+04 192 akaganeite 7.75 6.28 -1.47 -0.318 0.25125E+04 199 chalcedony -2.80 -4.94 -2.14 -0.713 0.36530E+04 214 gypsum -4.96 -9.49 -4.53 -1.134 0.77418E+04 233 boehmite 4.41 2.87 -1.53 -0.255 0.26169E+04 235 ferrous-oxide 9.81 6.23 -3.59 -0.897 0.61231E+04 240 silica-amorphous -2.09 -4.94 -2.85 -0.950 0.48672E+04 Calculations done for 100.0000 Deg. C; 50.0000 bar Next reactant titration increment of: 0.0001000 g Current total amount of reactant added: 0.0011000 g New total amount of reactant added: 0.0012000 g Solids and gases carried Charge balance check after fractionation or titration: TBAL = 0.6999E-15 ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ 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 = 0.0012000 Water: Moles liquid = 0.5551E+02 kg liquid = 0.1000E+01 Moles total = 0.5551E+02 kg total = 0.1000E+01 Activity = 1.0000 Stoichiometric ionic strength = .2428291E-03 Osmotic coef. = 0.9906 True ionic strength = .2395312E-03 Chg. balance for total moles = 0.6999E-15 Max. difference allowed = 0.1380E-07 Log Log Log Species(n) Molality Molality Activity Activity Gamma Gamma 1 H+ 0.48184E-06 -6.3171 0.46360E-06 -6.3339 0.96213E+00 -0.0168 2 H2O 0.10000E+01 0.0000 0.10000E+01 0.0000 3 Cl- 0.13796E-03 -3.8602 0.13273E-03 -3.8770 0.96203E+00 -0.0168 4 SO4-- 0.25390E-04 -4.5953 0.22950E-04 -4.6392 0.90390E+00 -0.0439 5 HCO3- 0.66899E-05 -5.1746 0.64360E-05 -5.1914 0.96205E+00 -0.0168 6 HS- 0.49895E-10 -10.3019 0.48000E-10 -10.3188 0.96203E+00 -0.0168 7 Al+++ 0.91464E-16 -16.0387 0.74493E-16 -16.1279 0.81445E+00 -0.0891 8 H4SiO4 0.12469E-04 -4.9042 0.12469E-04 -4.9042 0.10000E+01 0.0000 9 Ca++ 0.15739E-04 -4.8030 0.14225E-04 -4.8469 0.90379E+00 -0.0439 10 Mg++ 0.95129E-06 -6.0217 0.85970E-06 -6.0657 0.90371E+00 -0.0440 11 Fe++ 0.55096E-06 -6.2589 0.49792E-06 -6.3028 0.90373E+00 -0.0440 12 K+ 0.25469E-06 -6.5940 0.24502E-06 -6.6108 0.96206E+00 -0.0168 13 Na+ 0.16157E-03 -3.7916 0.15544E-03 -3.8085 0.96203E+00 -0.0168 14 Mn++ 0.20542E-07 -7.6874 0.18564E-07 -7.7313 0.90374E+00 -0.0440 15 HPO4-- 0.78582E-09 -9.1047 0.71030E-09 -9.1486 0.90390E+00 -0.0439 16 HSiO3- 0.26106E-07 -7.5833 0.25115E-07 -7.6001 0.96203E+00 -0.0168 17 Ca(HSiO3)+ 0.84569E-11 -11.0728 0.81361E-11 -11.0896 0.96206E+00 -0.0168 18 Mg(HSiO3)+ 0.63606E-12 -12.1965 0.61193E-12 -12.2133 0.96206E+00 -0.0168 19 NaHSiO3,aq 0.63137E-10 -10.1997 0.63137E-10 -10.1997 0.10000E+01 0.0000 20 AlO+ 0.49013E-10 -10.3097 0.47153E-10 -10.3265 0.96206E+00 -0.0168 21 AlOH+2 0.12044E-12 -12.9192 0.10885E-12 -12.9632 0.90376E+00 -0.0439 22 HAlO2,aq 0.20256E-07 -7.6935 0.20256E-07 -7.6935 0.10000E+01 0.0000 23 AlO2- 0.10054E-06 -6.9977 0.96718E-07 -7.0145 0.96200E+00 -0.0168 24 CH4,aq 0.13077E-16 -16.8835 0.13076E-16 -16.8835 0.99992E+00 0.0000 29 CO,aq 0.88943E-16 -16.0509 0.88943E-16 -16.0509 0.10000E+01 0.0000 30 CO2,aq 0.63760E-05 -5.1955 0.63755E-05 -5.1955 0.99992E+00 0.0000 31 CO3-2 0.13416E-08 -8.8724 0.12126E-08 -8.9163 0.90387E+00 -0.0439 32 CaCO3,aq 0.21629E-09 -9.6650 0.21629E-09 -9.6650 0.10000E+01 0.0000 33 Ca(HCO3)+ 0.24291E-08 -8.6145 0.23370E-08 -8.6313 0.96206E+00 -0.0168 34 CaCl+ 0.31759E-08 -8.4981 0.30554E-08 -8.5149 0.96206E+00 -0.0168 35 CaCl2,aq 0.96346E-13 -13.0162 0.96346E-13 -13.0162 0.10000E+01 0.0000 36 CaOH+ 0.22731E-08 -8.6434 0.21869E-08 -8.6602 0.96206E+00 -0.0168 37 CaSO4,aq 0.10367E-06 -6.9844 0.10367E-06 -6.9844 0.10000E+01 0.0000 38 HCl,aq 0.11275E-10 -10.9479 0.11275E-10 -10.9479 0.10000E+01 0.0000 43 FeCl+ 0.10873E-09 -9.9637 0.10460E-09 -9.9805 0.96206E+00 -0.0168 44 FeCl2,aq 0.43956E-18 -18.3570 0.43956E-18 -18.3570 0.10000E+01 0.0000 46 FeO,aq 0.90042E-10 -10.0456 0.90042E-10 -10.0456 0.10000E+01 0.0000 47 FeOH+ 0.36340E-07 -7.4396 0.34961E-07 -7.4564 0.96206E+00 -0.0168 48 HFeO2- 0.21124E-11 -11.6752 0.20322E-11 -11.6920 0.96203E+00 -0.0168 49 FeO+ 0.36781E-11 -11.4344 0.35386E-11 -11.4512 0.96206E+00 -0.0168 50 FeOH+2 0.34664E-15 -15.4601 0.31328E-15 -15.5041 0.90376E+00 -0.0439 51 FeO2- 0.35020E-11 -11.4557 0.33690E-11 -11.4725 0.96203E+00 -0.0168 52 HFeO2,aq 0.19864E-09 -9.7019 0.19864E-09 -9.7019 0.10000E+01 0.0000 53 H2,aq 0.55539E-09 -9.2554 0.55535E-09 -9.2554 0.99992E+00 0.0000 54 KCl,aq 0.58941E-12 -12.2296 0.58941E-12 -12.2296 0.10000E+01 0.0000 55 KHSO4,aq 0.73707E-17 -17.1325 0.73707E-17 -17.1325 0.10000E+01 0.0000 56 KOH,aq 0.22571E-12 -12.6464 0.22571E-12 -12.6464 0.10000E+01 0.0000 57 KSO4- 0.90703E-10 -10.0424 0.87259E-10 -10.0592 0.96203E+00 -0.0168 58 MgCO3,aq 0.32765E-11 -11.4846 0.32765E-11 -11.4846 0.10000E+01 0.0000 59 Mg(HCO3)+ 0.15001E-09 -9.8239 0.14432E-09 -9.8407 0.96206E+00 -0.0168 60 MgCl+ 0.17396E-09 -9.7595 0.16736E-09 -9.7763 0.96206E+00 -0.0168 61 MgOH+ 0.76016E-09 -9.1191 0.73132E-09 -9.1359 0.96206E+00 -0.0168 63 MnO,aq 0.89453E-13 -13.0484 0.89453E-13 -13.0484 0.10000E+01 0.0000 64 MnOH+ 0.12586E-09 -9.9001 0.12109E-09 -9.9169 0.96206E+00 -0.0168 66 HMnO2- 0.14583E-17 -17.8362 0.14029E-17 -17.8530 0.96203E+00 -0.0168 69 MnCl+ 0.15771E-10 -10.8021 0.15173E-10 -10.8189 0.96206E+00 -0.0168 70 MnSO4,aq 0.12300E-09 -9.9101 0.12300E-09 -9.9101 0.10000E+01 0.0000 71 NaCl,aq 0.68369E-08 -8.1651 0.68369E-08 -8.1651 0.10000E+01 0.0000 72 NaOH,aq 0.14405E-09 -9.8415 0.14405E-09 -9.8415 0.10000E+01 0.0000 74 OH- 0.12955E-05 -5.8876 0.12463E-05 -5.9044 0.96200E+00 -0.0168 82 H3PO4,aq 0.10677E-11 -11.9716 0.10677E-11 -11.9716 0.10000E+01 0.0000 83 H2PO4- 0.63142E-08 -8.1997 0.60746E-08 -8.2165 0.96205E+00 -0.0168 84 PO4-3 0.15335E-14 -14.8143 0.12501E-14 -14.9031 0.81517E+00 -0.0888 87 H2P2O7-2 0.32011E-17 -17.4947 0.28934E-17 -17.5386 0.90387E+00 -0.0439 88 HP2O7-3 0.15301E-17 -17.8153 0.12462E-17 -17.9044 0.81445E+00 -0.0891 90 H2S,aq 0.68780E-10 -10.1625 0.68774E-10 -10.1626 0.99992E+00 0.0000 96 SO2,aq 0.12233E-16 -16.9125 0.12233E-16 -16.9125 0.10000E+01 0.0000 97 SO3-2 0.18319E-14 -14.7371 0.16562E-14 -14.7809 0.90410E+00 -0.0438 98 HSO3- 0.49972E-13 -13.3013 0.48075E-13 -13.3181 0.96203E+00 -0.0168 99 HSO4- 0.10658E-07 -7.9723 0.10253E-07 -7.9891 0.96208E+00 -0.0168 101 S2O3-2 0.20513E-16 -16.6880 0.18541E-16 -16.7319 0.90387E+00 -0.0439 Charge balance for all species = 0.6999E-15 Component Molality Aq.molality ppm log[A(N)/A(H+)**Z] (total) 1 H+ 0.4818413E-06 0.5048242E-05 0.5088267E-02 0.0000 2 H2O 0.1000000E+01 0.5550825E+02 0.9999862E+06 0.0000 3 Cl- 0.1379639E-03 0.1379742E-03 0.4891544E+01 2.4568 4 SO4-- 0.2538982E-04 0.2550425E-04 0.2449951E+01 8.0285 5 HCO3- 0.6689885E-05 0.1307000E-04 0.7974859E+00 1.1425 6 HS- 0.4989452E-10 0.2318062E-09 0.7666208E-05 -3.9849 7 Al+++ 0.9146406E-16 0.1208430E-06 0.3260489E-02 2.8737 8 H4SiO4 0.1246917E-04 0.1249534E-04 0.1200981E+01 -4.9042 9 Ca++ 0.1573947E-04 0.1585124E-04 0.6352786E+00 7.8208 10 Mg++ 0.9512932E-06 0.9523813E-06 0.2315403E-01 6.6021 11 Fe++ 0.5509609E-06 0.5877073E-06 0.3282132E-01 6.3649 12 K+ 0.2546856E-06 0.2547772E-06 0.9962182E-02 -0.2769 13 Na+ 0.1615703E-03 0.1615773E-03 0.3714588E+01 2.5254 14 Mn++ 0.2054160E-07 0.2080632E-07 0.1143045E-02 4.9364 15 HPO4-- 0.7858155E-09 0.7101094E-08 0.6815481E-03 3.5192 Component Tot moles Aq. moles Solid moles Gas moles 1 H+ -.6830218E-05 0.5048241E-05 -.1187846E-04 0.0000000E+00 2 H2O 0.5550824E+02 0.5550823E+02 0.7851997E-05 0.0000000E+00 3 Cl- 0.1379742E-03 0.1379742E-03 0.0000000E+00 0.0000000E+00 4 SO4-- 0.2553773E-04 0.2550424E-04 0.3348790E-07 0.0000000E+00 5 HCO3- 0.1307000E-04 0.1307000E-04 0.0000000E+00 0.0000000E+00 6 HS- -.3325609E-07 0.2318061E-09 -.3348790E-07 0.0000000E+00 7 Al+++ 0.3912890E-05 0.1208430E-06 0.3792047E-05 0.0000000E+00 8 H4SiO4 0.1249534E-04 0.1249534E-04 0.0000000E+00 0.0000000E+00 9 Ca++ 0.1585123E-04 0.1585123E-04 0.0000000E+00 0.0000000E+00 10 Mg++ 0.9523810E-06 0.9523810E-06 0.0000000E+00 0.0000000E+00 11 Fe++ 0.8556103E-06 0.5877071E-06 0.2679032E-06 0.0000000E+00 12 K+ 0.2547771E-06 0.2547771E-06 0.0000000E+00 0.0000000E+00 13 Na+ 0.1615773E-03 0.1615773E-03 0.0000000E+00 0.0000000E+00 14 Mn++ 0.2080632E-07 0.2080632E-07 0.0000000E+00 0.0000000E+00 15 HPO4-- 0.7101092E-08 0.7101092E-08 0.0000000E+00 0.0000000E+00 Chg. balance for solid moles: 0.1059E-21 Mass of aqueous solution: 0.100001E+04 g Temperature = 100.00 C Pressure = 50.00 bar Mixer frac. = 0.0012000 Log Log Vol Gas or mineral Moles Moles Grams Grams Wt.% (cm3) diaspore 0.3792E-05 -5.421 0.2275E-03 -3.643 91.40 0.6772E-04 hematite 0.1340E-06 -6.873 0.2139E-04 -4.670 8.595 0.4055E-05 Partial press. Fugacity coef Log fugacity Gas or Mineral Mole fraction or activity Activity coef Log activity diaspore 0.1000E+01 0.1000E+01 1.0000 0.000 hematite 0.1000E+01 0.1000E+01 1.0000 0.000 Solid products produced: Mass = 0.000249 g Volume = 0.000072 cm3 Porosity: 99.9928% V(tot) - V(min): 0.10004E+01 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: 0.0012000 g log = -2.9208 Original solution: 1000.0102895 g Original solution / Rock added: 833341.91 (Water/Rock Ratio), log = 5.9208 Gas composition at saturation ( 2 iterations) ------------------------------------------------- Temperature: 100.0000 deg.C Sat. pressure: 1.0210 bar Gas Mole fraction phi Fugacity Partial P(bar) H2O,gas 0.9993E+00 0.9859 0.1006E+01 0.1020E+01 CO2,gas 0.6634E-03 1.0071 0.6821E-03 0.6773E-03 CH4,gas 0.1862E-13 1.0125 0.1925E-13 0.1901E-13 H2,gas 0.7137E-06 1.0005 0.7291E-06 0.7287E-06 H2S,gas 0.1859E-08 0.9960 0.1891E-08 0.1898E-08 S2,gas 0.2472E-24 1.0000 0.2524E-24 0.2524E-24 CO,gas 0.1298E-12 1.0000 0.1325E-12 0.1325E-12 SO3,gas 0.1827E-32 1.0000 0.1865E-32 0.1865E-32 SO2,gas 0.5181E-16 1.0000 0.5290E-16 0.5290E-16 HCl,gas 0.1949E-13 1.0000 0.1990E-13 0.1990E-13 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 65 diaspore 2.87 2.87 0.00 0.000 0.30331E-11 90 hematite 12.57 12.57 0.00 0.000 -0.30331E-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 -1.696 0.28965E+04 0.003 2 CO2,gas -6.66 -11.53 -4.87 -1.622 0.83071E+04 -3.166 3 CH4,gas 4.54 -10.87 -15.41 -3.854 0.26320E+05 -13.716 4 H2,gas 8.00 0.16 -7.84 -4.478 0.13380E+05 -6.137 5 H2S,gas -6.23 -16.65 -10.42 -5.211 0.17796E+05 -8.723 6 S2,gas -7.34 -33.63 -26.30 -4.046 0.44901E+05 -24.598 7 CO,gas 3.21 -11.36 -14.58 -4.485 0.24889E+05 -12.878 8 SO3,gas 17.12 -17.31 -34.43 -8.607 0.58785E+05 -32.729 9 SO2,gas 0.83 -17.14 -17.98 -4.793 0.30693E+05 -16.277 10 HCl,gas 5.19 -10.21 -15.40 -7.700 0.26295E+05 -13.701 21 andalusite 5.00 0.84 -4.16 -0.416 0.71002E+04 24 anhydrite -5.32 -9.49 -4.17 -2.085 0.71191E+04 35 aragonite 0.97 -3.70 -4.67 -1.557 0.79756E+04 37 calcite 0.81 -3.70 -4.52 -1.505 0.77114E+04 41 carpholite-Fe 6.71 2.30 -4.41 -0.294 0.75277E+04 51 chloritoid-Fe 9.17 7.21 -1.97 -0.131 0.33561E+04 54 coesite -2.38 -4.90 -2.53 -0.843 0.43167E+04 59 corundum 8.38 5.75 -2.64 -0.240 0.45004E+04 61 cristobalite -2.56 -4.90 -2.34 -0.781 0.40020E+04 83 gibbsite 4.08 2.87 -1.21 -0.172 0.20585E+04 98 kaolinite -1.33 -4.06 -2.73 -0.248 0.46583E+04 99 kyanite 4.88 0.84 -4.03 -0.403 0.68861E+04 107 magnetite 20.09 18.93 -1.16 -0.094 0.19744E+04 147 quartz -2.99 -4.90 -1.91 -0.638 0.32693E+04 155 siderite -2.61 -5.16 -2.55 -0.851 0.43578E+04 156 sillimanite 5.26 0.84 -4.42 -0.442 0.75441E+04 177 topaz-H 4.62 0.84 -3.78 -0.343 0.64462E+04 178 tridymite -2.63 -4.90 -2.28 -0.759 0.38893E+04 192 akaganeite 7.75 6.28 -1.47 -0.318 0.25125E+04 199 chalcedony -2.80 -4.90 -2.10 -0.701 0.35886E+04 214 gypsum -4.96 -9.49 -4.53 -1.133 0.77366E+04 233 boehmite 4.41 2.87 -1.53 -0.255 0.26169E+04 235 ferrous-oxide 9.81 6.36 -3.45 -0.862 0.58851E+04 240 silica-amorphous -2.09 -4.90 -2.81 -0.938 0.48028E+04 Calculations done for 100.0000 Deg. C; 50.0000 bar Next reactant titration increment of: 0.0001000 g Current total amount of reactant added: 0.0012000 g New total amount of reactant added: 0.0013000 g Solids and gases carried Charge balance check after fractionation or titration: TBAL = 0.7000E-15 ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ 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 = 0.0013000 Water: Moles liquid = 0.5551E+02 kg liquid = 0.1000E+01 Moles total = 0.5551E+02 kg total = 0.1000E+01 Activity = 1.0000 Stoichiometric ionic strength = .2434323E-03 Osmotic coef. = 0.9906 True ionic strength = .2403180E-03 Chg. balance for total moles = 0.7000E-15 Max. difference allowed = 0.1380E-07 Log Log Log Species(n) Molality Molality Activity Activity Gamma Gamma 1 H+ 0.42874E-06 -6.3678 0.41249E-06 -6.3846 0.96210E+00 -0.0168 2 H2O 0.10000E+01 0.0000 0.10000E+01 0.0000 3 Cl- 0.13796E-03 -3.8602 0.13272E-03 -3.8771 0.96200E+00 -0.0168 4 SO4-- 0.25389E-04 -4.5953 0.22946E-04 -4.6393 0.90378E+00 -0.0439 5 HCO3- 0.70701E-05 -5.1506 0.68016E-05 -5.1674 0.96202E+00 -0.0168 6 HS- 0.46326E-09 -9.3342 0.44566E-09 -9.3510 0.96200E+00 -0.0168 7 Al+++ 0.64447E-16 -16.1908 0.52473E-16 -16.2801 0.81420E+00 -0.0893 8 H4SiO4 0.13505E-04 -4.8695 0.13505E-04 -4.8695 0.10000E+01 0.0000 9 Ca++ 0.15853E-04 -4.7999 0.14326E-04 -4.8439 0.90366E+00 -0.0440 10 Mg++ 0.10305E-05 -5.9870 0.93111E-06 -6.0310 0.90359E+00 -0.0440 11 Fe++ 0.58485E-06 -6.2330 0.52848E-06 -6.2770 0.90361E+00 -0.0440 12 K+ 0.27591E-06 -6.5592 0.26543E-06 -6.5760 0.96203E+00 -0.0168 13 Na+ 0.16170E-03 -3.7913 0.15555E-03 -3.8081 0.96200E+00 -0.0168 14 Mn++ 0.22237E-07 -7.6529 0.20094E-07 -7.6969 0.90362E+00 -0.0440 15 HPO4-- 0.94393E-09 -9.0251 0.85311E-09 -9.0690 0.90378E+00 -0.0439 16 HSiO3- 0.31778E-07 -7.4979 0.30570E-07 -7.5147 0.96200E+00 -0.0168 17 Ca(HSiO3)+ 0.10367E-10 -10.9843 0.99738E-11 -11.0011 0.96203E+00 -0.0168 18 Mg(HSiO3)+ 0.83858E-12 -12.0765 0.80674E-12 -12.0933 0.96203E+00 -0.0168 19 NaHSiO3,aq 0.76909E-10 -10.1140 0.76909E-10 -10.1140 0.10000E+01 0.0000 20 AlO+ 0.43611E-10 -10.3604 0.41955E-10 -10.3772 0.96203E+00 -0.0168 21 AlOH+2 0.95363E-13 -13.0206 0.86174E-13 -13.0646 0.90364E+00 -0.0440 22 HAlO2,aq 0.20256E-07 -7.6935 0.20256E-07 -7.6935 0.10000E+01 0.0000 23 AlO2- 0.11300E-06 -6.9469 0.10870E-06 -6.9638 0.96197E+00 -0.0168 24 CH4,aq 0.12833E-15 -15.8917 0.12832E-15 -15.8917 0.99992E+00 0.0000 29 CO,aq 0.15032E-15 -15.8230 0.15032E-15 -15.8230 0.10000E+01 0.0000 30 CO2,aq 0.59953E-05 -5.2222 0.59949E-05 -5.2222 0.99992E+00 0.0000 31 CO3-2 0.15936E-08 -8.7976 0.14403E-08 -8.8416 0.90375E+00 -0.0440 32 CaCO3,aq 0.25872E-09 -9.5872 0.25872E-09 -9.5872 0.10000E+01 0.0000 33 Ca(HCO3)+ 0.25854E-08 -8.5875 0.24872E-08 -8.6043 0.96203E+00 -0.0168 34 CaCl+ 0.31984E-08 -8.4951 0.30770E-08 -8.5119 0.96203E+00 -0.0168 35 CaCl2,aq 0.97023E-13 -13.0131 0.97023E-13 -13.0131 0.10000E+01 0.0000 36 CaOH+ 0.25729E-08 -8.5896 0.24752E-08 -8.6064 0.96203E+00 -0.0168 37 CaSO4,aq 0.10439E-06 -6.9814 0.10439E-06 -6.9814 0.10000E+01 0.0000 38 HCl,aq 0.10032E-10 -10.9986 0.10032E-10 -10.9986 0.10000E+01 0.0000 43 FeCl+ 0.11540E-09 -9.9378 0.11102E-09 -9.9546 0.96203E+00 -0.0168 44 FeCl2,aq 0.46650E-18 -18.3311 0.46650E-18 -18.3311 0.10000E+01 0.0000 46 FeO,aq 0.12072E-09 -9.9182 0.12072E-09 -9.9182 0.10000E+01 0.0000 47 FeOH+ 0.43350E-07 -7.3630 0.41704E-07 -7.3798 0.96203E+00 -0.0168 48 HFeO2- 0.31830E-11 -11.4972 0.30620E-11 -11.5140 0.96200E+00 -0.0168 49 FeO+ 0.32728E-11 -11.4851 0.31485E-11 -11.5019 0.96203E+00 -0.0168 50 FeOH+2 0.27447E-15 -15.5615 0.24802E-15 -15.6055 0.90364E+00 -0.0440 51 FeO2- 0.39360E-11 -11.4049 0.37864E-11 -11.4218 0.96200E+00 -0.0168 52 HFeO2,aq 0.19864E-09 -9.7019 0.19864E-09 -9.7019 0.10000E+01 0.0000 53 H2,aq 0.99824E-09 -9.0008 0.99816E-09 -9.0008 0.99992E+00 0.0000 54 KCl,aq 0.63849E-12 -12.1948 0.63849E-12 -12.1948 0.10000E+01 0.0000 55 KHSO4,aq 0.71034E-17 -17.1485 0.71034E-17 -17.1485 0.10000E+01 0.0000 56 KOH,aq 0.27481E-12 -12.5610 0.27481E-12 -12.5610 0.10000E+01 0.0000 57 KSO4- 0.98247E-10 -10.0077 0.94513E-10 -10.0245 0.96200E+00 -0.0168 58 MgCO3,aq 0.42148E-11 -11.3752 0.42148E-11 -11.3752 0.10000E+01 0.0000 59 Mg(HCO3)+ 0.17170E-09 -9.7652 0.16518E-09 -9.7820 0.96203E+00 -0.0168 60 MgCl+ 0.18841E-09 -9.7249 0.18126E-09 -9.7417 0.96203E+00 -0.0168 61 MgOH+ 0.92534E-09 -9.0337 0.89021E-09 -9.0505 0.96203E+00 -0.0168 63 MnO,aq 0.12230E-12 -12.9126 0.12230E-12 -12.9126 0.10000E+01 0.0000 64 MnOH+ 0.15312E-09 -9.8150 0.14730E-09 -9.8318 0.96203E+00 -0.0168 66 HMnO2- 0.22409E-17 -17.6496 0.21557E-17 -17.6664 0.96200E+00 -0.0168 69 MnCl+ 0.17070E-10 -10.7678 0.16422E-10 -10.7846 0.96203E+00 -0.0168 70 MnSO4,aq 0.13311E-09 -9.8758 0.13311E-09 -9.8758 0.10000E+01 0.0000 71 NaCl,aq 0.68417E-08 -8.1648 0.68417E-08 -8.1648 0.10000E+01 0.0000 72 NaOH,aq 0.16202E-09 -9.7904 0.16202E-09 -9.7904 0.10000E+01 0.0000 74 OH- 0.14561E-05 -5.8368 0.14007E-05 -5.8537 0.96197E+00 -0.0168 82 H3PO4,aq 0.10152E-11 -11.9934 0.10152E-11 -11.9934 0.10000E+01 0.0000 83 H2PO4- 0.67479E-08 -8.1708 0.64916E-08 -8.1876 0.96201E+00 -0.0168 84 PO4-3 0.20706E-14 -14.6839 0.16874E-14 -14.7728 0.81492E+00 -0.0889 87 H2P2O7-2 0.36562E-17 -17.4370 0.33042E-17 -17.4809 0.90375E+00 -0.0440 88 HP2O7-3 0.19645E-17 -17.7068 0.15995E-17 -17.7960 0.81421E+00 -0.0893 90 H2S,aq 0.56819E-09 -9.2455 0.56815E-09 -9.2455 0.99992E+00 0.0000 96 SO2,aq 0.17404E-16 -16.7593 0.17404E-16 -16.7593 0.10000E+01 0.0000 97 SO3-2 0.32925E-14 -14.4825 0.29764E-14 -14.5263 0.90398E+00 -0.0438 98 HSO3- 0.79908E-13 -13.0974 0.76872E-13 -13.1142 0.96200E+00 -0.0168 99 HSO4- 0.94816E-08 -8.0231 0.91218E-08 -8.0399 0.96205E+00 -0.0168 101 S2O3-2 0.16945E-15 -15.7709 0.15314E-15 -15.8149 0.90375E+00 -0.0440 102 HS2O3- 0.11741E-19 -19.9303 0.11295E-19 -19.9471 0.96200E+00 -0.0168 Charge balance for all species = 0.7000E-15 Component Molality Aq.molality ppm log[A(N)/A(H+)**Z] (total) 1 H+ 0.4287392E-06 0.4390173E-05 0.4424979E-02 0.0000 2 H2O 0.1000000E+01 0.5550825E+02 0.9999861E+06 0.0000 3 Cl- 0.1379639E-03 0.1379742E-03 0.4891544E+01 2.5075 4 SO4-- 0.2538935E-04 0.2550322E-04 0.2449852E+01 8.1299 5 HCO3- 0.7070071E-05 0.1307000E-04 0.7974859E+00 1.2172 6 HS- 0.4632647E-09 0.1255308E-08 0.4151508E-04 -2.9664 7 Al+++ 0.6444741E-16 0.1332975E-06 0.3596524E-02 2.8737 8 H4SiO4 0.1350476E-04 0.1353662E-04 0.1301063E+01 -4.8695 9 Ca++ 0.1585324E-04 0.1596625E-04 0.6398880E+00 7.9253 10 Mg++ 0.1030456E-05 0.1031746E-05 0.2508353E-01 6.7382 11 Fe++ 0.5848542E-06 0.6286495E-06 0.3510778E-01 6.4922 12 K+ 0.2759094E-06 0.2760086E-06 0.1079236E-01 -0.1915 13 Na+ 0.1616958E-03 0.1617029E-03 0.3717474E+01 2.5765 14 Mn++ 0.2223677E-07 0.2254018E-07 0.1238298E-02 5.0722 15 HPO4-- 0.9439287E-09 0.7692853E-08 0.7383437E-03 3.7002 Component Tot moles Aq. moles Solid moles Gas moles 1 H+ -.8486070E-05 0.4390171E-05 -.1287624E-04 0.0000000E+00 2 H2O 0.5550823E+02 0.5550823E+02 0.8509595E-05 0.0000000E+00 3 Cl- 0.1379742E-03 0.1379742E-03 0.0000000E+00 0.0000000E+00 4 SO4-- 0.2554050E-04 0.2550321E-04 0.3728274E-07 0.0000000E+00 5 HCO3- 0.1307000E-04 0.1307000E-04 0.0000000E+00 0.0000000E+00 6 HS- -.3602743E-07 0.1255308E-08 -.3728274E-07 0.0000000E+00 7 Al+++ 0.4238964E-05 0.1332974E-06 0.4105667E-05 0.0000000E+00 8 H4SiO4 0.1353662E-04 0.1353662E-04 0.0000000E+00 0.0000000E+00 9 Ca++ 0.1596625E-04 0.1596625E-04 0.0000000E+00 0.0000000E+00 10 Mg++ 0.1031746E-05 0.1031746E-05 0.0000000E+00 0.0000000E+00 11 Fe++ 0.9269112E-06 0.6286493E-06 0.2982619E-06 0.0000000E+00 12 K+ 0.2760085E-06 0.2760085E-06 0.0000000E+00 0.0000000E+00 13 Na+ 0.1617028E-03 0.1617028E-03 0.0000000E+00 0.0000000E+00 14 Mn++ 0.2254017E-07 0.2254017E-07 0.0000000E+00 0.0000000E+00 15 HPO4-- 0.7692850E-08 0.7692850E-08 0.0000000E+00 0.0000000E+00 Chg. balance for solid moles: 0.5294E-21 Mass of aqueous solution: 0.100001E+04 g Temperature = 100.00 C Pressure = 50.00 bar Mixer frac. = 0.0013000 Log Log Vol Gas or mineral Moles Moles Grams Grams Wt.% (cm3) diaspore 0.4106E-05 -5.387 0.2463E-03 -3.609 91.18 0.7333E-04 hematite 0.1491E-06 -6.826 0.2382E-04 -4.623 8.817 0.4514E-05 Partial press. Fugacity coef Log fugacity Gas or Mineral Mole fraction or activity Activity coef Log activity diaspore 0.1000E+01 0.1000E+01 1.0000 0.000 hematite 0.1000E+01 0.1000E+01 1.0000 0.000 Solid products produced: Mass = 0.000270 g Volume = 0.000078 cm3 Porosity: 99.9922% V(tot) - V(min): 0.10004E+01 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: 0.0013000 g log = -2.8861 Original solution: 1000.0102895 g Original solution / Rock added: 769238.68 (Water/Rock Ratio), log = 5.8861 Gas composition at saturation ( 2 iterations) ------------------------------------------------- Temperature: 100.0000 deg.C Sat. pressure: 1.0209 bar Gas Mole fraction phi Fugacity Partial P(bar) H2O,gas 0.9994E+00 0.9859 0.1006E+01 0.1020E+01 CO2,gas 0.6238E-03 1.0071 0.6414E-03 0.6369E-03 CH4,gas 0.1827E-12 1.0125 0.1889E-12 0.1865E-12 H2,gas 0.1283E-05 1.0005 0.1310E-05 0.1310E-05 H2S,gas 0.1536E-07 0.9960 0.1562E-07 0.1568E-07 S2,gas 0.5222E-23 1.0000 0.5332E-23 0.5332E-23 CO,gas 0.2194E-12 1.0000 0.2240E-12 0.2240E-12 SO3,gas 0.1446E-32 1.0000 0.1476E-32 0.1476E-32 SO2,gas 0.7372E-16 1.0000 0.7526E-16 0.7526E-16 HCl,gas 0.1734E-13 1.0000 0.1770E-13 0.1770E-13 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 65 diaspore 2.87 2.87 0.00 0.000 -0.30331E-11 90 hematite 12.57 12.57 0.00 0.000 0.30331E-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 -1.696 0.28965E+04 0.003 2 CO2,gas -6.66 -11.55 -4.89 -1.631 0.83527E+04 -3.193 3 CH4,gas 4.54 -9.88 -14.42 -3.606 0.24627E+05 -12.724 4 H2,gas 8.00 0.42 -7.58 -4.332 0.12945E+05 -5.883 5 H2S,gas -6.23 -15.74 -9.51 -4.753 0.16230E+05 -7.806 6 S2,gas -7.34 -32.31 -24.97 -3.842 0.42639E+05 -23.273 7 CO,gas 3.21 -11.13 -14.35 -4.415 0.24500E+05 -12.650 8 SO3,gas 17.12 -17.41 -34.53 -8.632 0.58959E+05 -32.831 9 SO2,gas 0.83 -16.99 -17.82 -4.753 0.30431E+05 -16.123 10 HCl,gas 5.19 -10.26 -15.45 -7.725 0.26382E+05 -13.752 21 andalusite 5.00 0.88 -4.12 -0.412 0.70410E+04 24 anhydrite -5.32 -9.48 -4.17 -2.083 0.71139E+04 35 aragonite 0.97 -3.63 -4.59 -1.531 0.78428E+04 37 calcite 0.81 -3.63 -4.44 -1.479 0.75785E+04 41 carpholite-Fe 6.71 2.50 -4.21 -0.281 0.71920E+04 51 chloritoid-Fe 9.17 7.37 -1.80 -0.120 0.30795E+04 54 coesite -2.38 -4.87 -2.49 -0.831 0.42575E+04 59 corundum 8.38 5.75 -2.64 -0.240 0.45004E+04 61 cristobalite -2.56 -4.87 -2.31 -0.770 0.39429E+04 83 gibbsite 4.08 2.87 -1.21 -0.172 0.20585E+04 98 kaolinite -1.33 -3.99 -2.66 -0.242 0.45399E+04 99 kyanite 4.88 0.88 -4.00 -0.400 0.68269E+04 107 magnetite 20.09 19.06 -1.03 -0.084 0.17570E+04 142 pyrite -21.25 -25.40 -4.15 -0.977 0.70864E+04 143 pyrrhotite -4.26 -9.24 -4.98 -1.661 0.85084E+04 144 pyrrhotiteFe0.875 -6.02 -10.11 -4.09 -1.504 0.69833E+04 147 quartz -2.99 -4.87 -1.88 -0.627 0.32102E+04 155 siderite -2.61 -5.06 -2.45 -0.817 0.41861E+04 156 sillimanite 5.26 0.88 -4.38 -0.438 0.74850E+04 177 topaz-H 4.62 0.88 -3.74 -0.340 0.63870E+04 178 tridymite -2.63 -4.87 -2.24 -0.748 0.38302E+04 181 troilite-low -4.41 -9.24 -4.83 -1.611 0.82512E+04 192 akaganeite 7.75 6.28 -1.47 -0.318 0.25125E+04 199 chalcedony -2.80 -4.87 -2.07 -0.689 0.35295E+04 214 gypsum -4.96 -9.48 -4.53 -1.132 0.77315E+04 233 boehmite 4.41 2.87 -1.53 -0.255 0.26169E+04 235 ferrous-oxide 9.81 6.49 -3.32 -0.830 0.56678E+04 240 silica-amorphous -2.09 -4.87 -2.78 -0.926 0.47437E+04 Calculations done for 100.0000 Deg. C; 50.0000 bar Next reactant titration increment of: 0.0001000 g Current total amount of reactant added: 0.0013000 g New total amount of reactant added: 0.0014000 g Solids and gases carried Charge balance check after fractionation or titration: TBAL = 0.7000E-15 ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ 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 = 0.0014000 Water: Moles liquid = 0.5551E+02 kg liquid = 0.1000E+01 Moles total = 0.5551E+02 kg total = 0.1000E+01 Activity = 1.0000 Stoichiometric ionic strength = .2439766E-03 Osmotic coef. = 0.9906 True ionic strength = .2410331E-03 Chg. balance for total moles = 0.7000E-15 Max. difference allowed = 0.1380E-07 Log Log Log Species(n) Molality Molality Activity Activity Gamma Gamma 1 H+ 0.38580E-06 -6.4136 0.37117E-06 -6.4304 0.96207E+00 -0.0168 2 H2O 0.10000E+01 0.0000 0.10000E+01 0.0000 3 Cl- 0.13796E-03 -3.8602 0.13272E-03 -3.8771 0.96197E+00 -0.0168 4 SO4-- 0.25385E-04 -4.5954 0.22940E-04 -4.6394 0.90367E+00 -0.0440 5 HCO3- 0.74106E-05 -5.1301 0.71289E-05 -5.1470 0.96199E+00 -0.0168 6 HS- 0.25221E-08 -8.5982 0.24262E-08 -8.6151 0.96197E+00 -0.0168 7 Al+++ 0.46966E-16 -16.3282 0.38229E-16 -16.4176 0.81398E+00 -0.0894 8 H4SiO4 0.14540E-04 -4.8374 0.14540E-04 -4.8374 0.10000E+01 0.0000 9 Ca++ 0.15967E-04 -4.7968 0.14427E-04 -4.8408 0.90356E+00 -0.0440 10 Mg++ 0.11096E-05 -5.9548 0.10025E-05 -5.9989 0.90348E+00 -0.0441 11 Fe++ 0.59312E-06 -6.2269 0.53588E-06 -6.2709 0.90350E+00 -0.0441 12 K+ 0.29713E-06 -6.5270 0.28584E-06 -6.5439 0.96200E+00 -0.0168 13 Na+ 0.16182E-03 -3.7910 0.15567E-03 -3.8078 0.96197E+00 -0.0168 14 Mn++ 0.23929E-07 -7.6211 0.21620E-07 -7.6651 0.90351E+00 -0.0441 15 HPO4-- 0.11146E-08 -8.9529 0.10072E-08 -8.9969 0.90367E+00 -0.0440 16 HSiO3- 0.38024E-07 -7.4199 0.36578E-07 -7.4368 0.96197E+00 -0.0168 17 Ca(HSiO3)+ 0.12493E-10 -10.9033 0.12018E-10 -10.9202 0.96200E+00 -0.0168 18 Mg(HSiO3)+ 0.10803E-11 -11.9664 0.10393E-11 -11.9833 0.96200E+00 -0.0168 19 NaHSiO3,aq 0.92091E-10 -10.0358 0.92091E-10 -10.0358 0.10000E+01 0.0000 20 AlO+ 0.39243E-10 -10.4062 0.37752E-10 -10.4231 0.96200E+00 -0.0168 21 AlOH+2 0.77222E-13 -13.1123 0.69772E-13 -13.1563 0.90353E+00 -0.0441 22 HAlO2,aq 0.20256E-07 -7.6935 0.20256E-07 -7.6935 0.10000E+01 0.0000 23 AlO2- 0.12558E-06 -6.9011 0.12080E-06 -6.9179 0.96194E+00 -0.0169 24 CH4,aq 0.73245E-15 -15.1352 0.73239E-15 -15.1353 0.99992E+00 0.0000 29 CO,aq 0.22236E-15 -15.6529 0.22236E-15 -15.6529 0.10000E+01 0.0000 30 CO2,aq 0.56543E-05 -5.2476 0.56539E-05 -5.2477 0.99992E+00 0.0000 31 CO3-2 0.18565E-08 -8.7313 0.16776E-08 -8.7753 0.90364E+00 -0.0440 32 CaCO3,aq 0.30349E-09 -9.5179 0.30349E-09 -9.5179 0.10000E+01 0.0000 33 Ca(HCO3)+ 0.27290E-08 -8.5640 0.26253E-08 -8.5808 0.96200E+00 -0.0168 34 CaCl+ 0.32210E-08 -8.4920 0.30986E-08 -8.5088 0.96200E+00 -0.0168 35 CaCl2,aq 0.97701E-13 -13.0101 0.97701E-13 -13.0101 0.10000E+01 0.0000 36 CaOH+ 0.28796E-08 -8.5407 0.27702E-08 -8.5575 0.96200E+00 -0.0168 37 CaSO4,aq 0.10509E-06 -6.9784 0.10509E-06 -6.9784 0.10000E+01 0.0000 38 HCl,aq 0.90267E-11 -11.0445 0.90267E-11 -11.0445 0.10000E+01 0.0000 43 FeCl+ 0.11702E-09 -9.9317 0.11257E-09 -9.9486 0.96200E+00 -0.0168 44 FeCl2,aq 0.47301E-18 -18.3251 0.47301E-18 -18.3251 0.10000E+01 0.0000 46 FeO,aq 0.15118E-09 -9.8205 0.15118E-09 -9.8205 0.10000E+01 0.0000 47 FeOH+ 0.48853E-07 -7.3111 0.46997E-07 -7.3279 0.96200E+00 -0.0168 48 HFeO2- 0.44303E-11 -11.3536 0.42618E-11 -11.3704 0.96197E+00 -0.0168 49 FeO+ 0.29450E-11 -11.5309 0.28331E-11 -11.5477 0.96200E+00 -0.0168 50 FeOH+2 0.22225E-15 -15.6532 0.20081E-15 -15.6972 0.90353E+00 -0.0441 51 FeO2- 0.43743E-11 -11.3591 0.42080E-11 -11.3759 0.96197E+00 -0.0168 52 HFeO2,aq 0.19864E-09 -9.7019 0.19864E-09 -9.7019 0.10000E+01 0.0000 53 H2,aq 0.15657E-08 -8.8053 0.15656E-08 -8.8053 0.99992E+00 0.0000 54 KCl,aq 0.68756E-12 -12.1627 0.68756E-12 -12.1627 0.10000E+01 0.0000 55 KHSO4,aq 0.68813E-17 -17.1623 0.68813E-17 -17.1623 0.10000E+01 0.0000 56 KOH,aq 0.32888E-12 -12.4830 0.32888E-12 -12.4830 0.10000E+01 0.0000 57 KSO4- 0.10577E-09 -9.9756 0.10175E-09 -9.9925 0.96197E+00 -0.0168 58 MgCO3,aq 0.52860E-11 -11.2769 0.52860E-11 -11.2769 0.10000E+01 0.0000 59 Mg(HCO3)+ 0.19377E-09 -9.7127 0.18641E-09 -9.7295 0.96200E+00 -0.0168 60 MgCl+ 0.20286E-09 -9.6928 0.19515E-09 -9.7096 0.96200E+00 -0.0168 61 MgOH+ 0.11073E-08 -8.9558 0.10652E-08 -8.9726 0.96200E+00 -0.0168 63 MnO,aq 0.16253E-12 -12.7891 0.16253E-12 -12.7891 0.10000E+01 0.0000 64 MnOH+ 0.18310E-09 -9.7373 0.17614E-09 -9.7541 0.96200E+00 -0.0168 66 HMnO2- 0.33096E-17 -17.4802 0.31837E-17 -17.4971 0.96197E+00 -0.0168 69 MnCl+ 0.18367E-10 -10.7360 0.17669E-10 -10.7528 0.96200E+00 -0.0168 70 MnSO4,aq 0.14318E-09 -9.8441 0.14318E-09 -9.8441 0.10000E+01 0.0000 71 NaCl,aq 0.68466E-08 -8.1645 0.68466E-08 -8.1645 0.10000E+01 0.0000 72 NaOH,aq 0.18019E-09 -9.7443 0.18019E-09 -9.7443 0.10000E+01 0.0000 74 OH- 0.16182E-05 -5.7910 0.15566E-05 -5.8078 0.96194E+00 -0.0169 82 H3PO4,aq 0.97048E-12 -12.0130 0.97048E-12 -12.0130 0.10000E+01 0.0000 83 H2PO4- 0.71690E-08 -8.1445 0.68965E-08 -8.1614 0.96198E+00 -0.0168 84 PO4-3 0.27177E-14 -14.5658 0.22141E-14 -14.6548 0.81470E+00 -0.0890 87 H2P2O7-2 0.41270E-17 -17.3844 0.37293E-17 -17.4284 0.90364E+00 -0.0440 88 HP2O7-3 0.24647E-17 -17.6082 0.20063E-17 -17.6976 0.81399E+00 -0.0894 90 H2S,aq 0.27834E-08 -8.5554 0.27832E-08 -8.5555 0.99992E+00 0.0000 91 S2-2 0.92196E-19 -19.0353 0.83311E-19 -19.0793 0.90364E+00 -0.0440 96 SO2,aq 0.22096E-16 -16.6557 0.22096E-16 -16.6557 0.10000E+01 0.0000 97 SO3-2 0.51634E-14 -14.2871 0.46670E-14 -14.3310 0.90387E+00 -0.0439 98 HSO3- 0.11275E-12 -12.9479 0.10846E-12 -12.9647 0.96197E+00 -0.0168 99 HSO4- 0.85296E-08 -8.0691 0.82056E-08 -8.0859 0.96202E+00 -0.0168 101 S2O3-2 0.82996E-15 -15.0809 0.74998E-15 -15.1249 0.90364E+00 -0.0440 102 HS2O3- 0.51740E-19 -19.2862 0.49773E-19 -19.3030 0.96197E+00 -0.0168 Charge balance for all species = 0.7000E-15 Component Molality Aq.molality ppm log[A(N)/A(H+)**Z] (total) 1 H+ 0.3857978E-06 0.3782610E-05 0.3812599E-02 0.0000 2 H2O 0.1000000E+01 0.5550825E+02 0.9999860E+06 0.0000 3 Cl- 0.1379638E-03 0.1379742E-03 0.4891543E+01 2.5534 4 SO4-- 0.2538530E-04 0.2549881E-04 0.2449428E+01 8.2215 5 HCO3- 0.7410584E-05 0.1307001E-04 0.7974858E+00 1.2835 6 HS- 0.2522097E-08 0.5671168E-08 0.1875547E-03 -2.1846 7 Al+++ 0.4696608E-16 0.1458780E-06 0.3935960E-02 2.8737 8 H4SiO4 0.1453977E-04 0.1457790E-04 0.1401145E+01 -4.8374 9 Ca++ 0.1596703E-04 0.1608127E-04 0.6444975E+00 8.0200 10 Mg++ 0.1109601E-05 0.1111112E-05 0.2701303E-01 6.8620 11 Fe++ 0.5931210E-06 0.6424528E-06 0.3587864E-01 6.5899 12 K+ 0.2971332E-06 0.2972400E-06 0.1162254E-01 -0.1134 13 Na+ 0.1618213E-03 0.1618284E-03 0.3720359E+01 2.6226 14 Mn++ 0.2392923E-07 0.2427404E-07 0.1333552E-02 5.1957 15 HPO4-- 0.1114595E-08 0.8284611E-08 0.7951394E-03 3.8640 Component Tot moles Aq. moles Solid moles Gas moles 1 H+ -.1014192E-04 0.3782609E-05 -.1392453E-04 0.0000000E+00 2 H2O 0.5550823E+02 0.5550822E+02 0.9194080E-05 0.0000000E+00 3 Cl- 0.1379742E-03 0.1379742E-03 0.0000000E+00 0.0000000E+00 4 SO4-- 0.2554327E-04 0.2549880E-04 0.4446994E-07 0.0000000E+00 5 HCO3- 0.1307000E-04 0.1307000E-04 0.0000000E+00 0.0000000E+00 6 HS- -.3879877E-07 0.5671166E-08 -.4446994E-07 0.0000000E+00 7 Al+++ 0.4565038E-05 0.1458779E-06 0.4419160E-05 0.0000000E+00 8 H4SiO4 0.1457790E-04 0.1457790E-04 0.0000000E+00 0.0000000E+00 9 Ca++ 0.1608126E-04 0.1608126E-04 0.0000000E+00 0.0000000E+00 10 Mg++ 0.1111111E-05 0.1111111E-05 0.0000000E+00 0.0000000E+00 11 Fe++ 0.9982120E-06 0.6424525E-06 0.3557595E-06 0.0000000E+00 12 K+ 0.2972399E-06 0.2972399E-06 0.0000000E+00 0.0000000E+00 13 Na+ 0.1618283E-03 0.1618283E-03 0.0000000E+00 0.0000000E+00 14 Mn++ 0.2427403E-07 0.2427403E-07 0.0000000E+00 0.0000000E+00 15 HPO4-- 0.8284607E-08 0.8284607E-08 0.0000000E+00 0.0000000E+00 Chg. balance for solid moles: -.7412E-21 Mass of aqueous solution: 0.100001E+04 g Temperature = 100.00 C Pressure = 50.00 bar Mixer frac. = 0.0014000 Log Log Vol Gas or mineral Moles Moles Grams Grams Wt.% (cm3) diaspore 0.4419E-05 -5.355 0.2651E-03 -3.577 90.32 0.7892E-04 hematite 0.1779E-06 -6.750 0.2841E-04 -4.547 9.678 0.5384E-05 Partial press. Fugacity coef Log fugacity Gas or Mineral Mole fraction or activity Activity coef Log activity diaspore 0.1000E+01 0.1000E+01 1.0000 0.000 hematite 0.1000E+01 0.1000E+01 1.0000 0.000 Solid products produced: Mass = 0.000294 g Volume = 0.000084 cm3 Porosity: 99.9916% V(tot) - V(min): 0.10005E+01 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: 0.0014000 g log = -2.8539 Original solution: 1000.0102895 g Original solution / Rock added: 714293.06 (Water/Rock Ratio), log = 5.8539 Gas composition at saturation ( 2 iterations) ------------------------------------------------- Temperature: 100.0000 deg.C Sat. pressure: 1.0209 bar Gas Mole fraction phi Fugacity Partial P(bar) H2O,gas 0.9994E+00 0.9859 0.1006E+01 0.1020E+01 CO2,gas 0.5883E-03 1.0071 0.6049E-03 0.6006E-03 CH4,gas 0.1043E-11 1.0125 0.1078E-11 0.1065E-11 H2,gas 0.2012E-05 1.0005 0.2055E-05 0.2054E-05 H2S,gas 0.7524E-07 0.9960 0.7651E-07 0.7681E-07 S2,gas 0.5094E-22 1.0000 0.5201E-22 0.5201E-22 CO,gas 0.3246E-12 1.0000 0.3314E-12 0.3314E-12 SO3,gas 0.1170E-32 1.0000 0.1195E-32 0.1195E-32 SO2,gas 0.9360E-16 1.0000 0.9555E-16 0.9555E-16 HCl,gas 0.1560E-13 1.0000 0.1593E-13 0.1593E-13 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 65 diaspore 2.87 2.87 0.00 0.000 -0.30331E-11 90 hematite 12.57 12.57 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 -1.696 0.28965E+04 0.003 2 CO2,gas -6.66 -11.58 -4.92 -1.639 0.83961E+04 -3.218 3 CH4,gas 4.54 -9.12 -13.67 -3.417 0.23335E+05 -11.967 4 H2,gas 8.00 0.61 -7.39 -4.221 0.12612E+05 -5.687 5 H2S,gas -6.23 -15.05 -8.82 -4.408 0.15052E+05 -7.116 6 S2,gas -7.34 -31.32 -23.98 -3.690 0.40950E+05 -22.284 7 CO,gas 3.21 -10.96 -14.18 -4.363 0.24210E+05 -12.480 8 SO3,gas 17.12 -17.50 -34.62 -8.655 0.59115E+05 -32.923 9 SO2,gas 0.83 -16.89 -17.72 -4.725 0.30254E+05 -16.020 10 HCl,gas 5.19 -10.31 -15.50 -7.748 0.26460E+05 -13.798 21 andalusite 5.00 0.91 -4.09 -0.409 0.69862E+04 24 anhydrite -5.32 -9.48 -4.16 -2.082 0.71089E+04 35 aragonite 0.97 -3.56 -4.52 -1.508 0.77244E+04 37 calcite 0.81 -3.56 -4.37 -1.456 0.74602E+04 41 carpholite-Fe 6.71 2.66 -4.05 -0.270 0.69156E+04 47 daphnite 28.97 24.18 -4.78 -0.149 0.81626E+04 51 chloritoid-Fe 9.17 7.50 -1.67 -0.112 0.28579E+04 54 coesite -2.38 -4.84 -2.46 -0.820 0.42027E+04 59 corundum 8.38 5.75 -2.64 -0.240 0.45004E+04 61 cristobalite -2.56 -4.84 -2.28 -0.759 0.38881E+04 83 gibbsite 4.08 2.87 -1.21 -0.172 0.20585E+04 92 hercynite 17.28 12.34 -4.94 -0.329 0.84370E+04 98 kaolinite -1.33 -3.93 -2.59 -0.236 0.44304E+04 99 kyanite 4.88 0.91 -3.97 -0.397 0.67722E+04 107 magnetite 20.09 19.16 -0.93 -0.076 0.15901E+04 142 pyrite -21.25 -24.11 -2.87 -0.675 0.48968E+04 143 pyrrhotite -4.26 -8.46 -4.20 -1.398 0.71633E+04 144 pyrrhotiteFe0.875 -6.02 -9.36 -3.34 -1.228 0.57003E+04 147 quartz -2.99 -4.84 -1.85 -0.616 0.31554E+04 155 siderite -2.61 -4.99 -2.38 -0.793 0.40626E+04 156 sillimanite 5.26 0.91 -4.35 -0.435 0.74302E+04 177 topaz-H 4.62 0.91 -3.71 -0.337 0.63322E+04 178 tridymite -2.63 -4.84 -2.21 -0.737 0.37754E+04 181 troilite-low -4.41 -8.46 -4.04 -1.348 0.69061E+04 192 akaganeite 7.75 6.28 -1.47 -0.318 0.25125E+04 199 chalcedony -2.80 -4.84 -2.04 -0.678 0.34747E+04 214 gypsum -4.96 -9.48 -4.53 -1.131 0.77265E+04 233 boehmite 4.41 2.87 -1.53 -0.255 0.26169E+04 235 ferrous-oxide 9.81 6.59 -3.22 -0.805 0.55009E+04 240 silica-amorphous -2.09 -4.84 -2.75 -0.915 0.46889E+04 Calculations done for 100.0000 Deg. C; 50.0000 bar Next reactant titration increment of: 0.0001000 g Current total amount of reactant added: 0.0014000 g New total amount of reactant added: 0.0015000 g Solids and gases carried Charge balance check after fractionation or titration: TBAL = 0.7000E-15 ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ 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 = 0.0015000 Water: Moles liquid = 0.5551E+02 kg liquid = 0.1000E+01 Moles total = 0.5551E+02 kg total = 0.1000E+01 Activity = 1.0000 Stoichiometric ionic strength = .2444387E-03 Osmotic coef. = 0.9906 True ionic strength = .2416488E-03 Chg. balance for total moles = 0.7000E-15 Max. difference allowed = 0.1380E-07 Log Log Log Species(n) Molality Molality Activity Activity Gamma Gamma 1 H+ 0.35191E-06 -6.4536 0.33856E-06 -6.4704 0.96205E+00 -0.0168 2 H2O 0.10000E+01 0.0000 0.10000E+01 0.0000 3 Cl- 0.13796E-03 -3.8602 0.13271E-03 -3.8771 0.96194E+00 -0.0169 4 SO4-- 0.25376E-04 -4.5956 0.22930E-04 -4.6396 0.90358E+00 -0.0440 5 HCO3- 0.77033E-05 -5.1133 0.74103E-05 -5.1302 0.96197E+00 -0.0168 6 HS- 0.70631E-08 -8.1510 0.67943E-08 -8.1679 0.96195E+00 -0.0168 7 Al+++ 0.35652E-16 -16.4479 0.29013E-16 -16.5374 0.81379E+00 -0.0895 8 H4SiO4 0.15574E-04 -4.8076 0.15574E-04 -4.8076 0.10000E+01 0.0000 9 Ca++ 0.16081E-04 -4.7937 0.14528E-04 -4.8378 0.90346E+00 -0.0441 10 Mg++ 0.11887E-05 -5.9249 0.10739E-05 -5.9690 0.90339E+00 -0.0441 11 Fe++ 0.56786E-06 -6.2458 0.51301E-06 -6.2899 0.90340E+00 -0.0441 12 K+ 0.31836E-06 -6.4971 0.30625E-06 -6.5139 0.96197E+00 -0.0168 13 Na+ 0.16195E-03 -3.7906 0.15578E-03 -3.8075 0.96194E+00 -0.0169 14 Mn++ 0.25620E-07 -7.5914 0.23145E-07 -7.6355 0.90342E+00 -0.0441 15 HPO4-- 0.12926E-08 -8.8885 0.11679E-08 -8.9326 0.90358E+00 -0.0440 16 HSiO3- 0.44653E-07 -7.3501 0.42954E-07 -7.3670 0.96194E+00 -0.0169 17 Ca(HSiO3)+ 0.14774E-10 -10.8305 0.14212E-10 -10.8473 0.96198E+00 -0.0168 18 Mg(HSiO3)+ 0.13590E-11 -11.8668 0.13074E-11 -11.8836 0.96198E+00 -0.0168 19 NaHSiO3,aq 0.10823E-09 -9.9657 0.10823E-09 -9.9657 0.10000E+01 0.0000 20 AlO+ 0.35797E-10 -10.4462 0.34436E-10 -10.4630 0.96198E+00 -0.0168 21 AlOH+2 0.64257E-13 -13.1921 0.58052E-13 -13.2362 0.90343E+00 -0.0441 22 HAlO2,aq 0.20256E-07 -7.6935 0.20256E-07 -7.6935 0.10000E+01 0.0000 23 AlO2- 0.13768E-06 -6.8611 0.13244E-06 -6.8780 0.96191E+00 -0.0169 24 CH4,aq 0.21331E-14 -14.6710 0.21329E-14 -14.6710 0.99992E+00 0.0000 29 CO,aq 0.27911E-15 -15.5542 0.27911E-15 -15.5542 0.10000E+01 0.0000 30 CO2,aq 0.53612E-05 -5.2707 0.53608E-05 -5.2708 0.99992E+00 0.0000 31 CO3-2 0.21159E-08 -8.6745 0.19118E-08 -8.7186 0.90354E+00 -0.0441 32 CaCO3,aq 0.34828E-09 -9.4581 0.34828E-09 -9.4581 0.10000E+01 0.0000 33 Ca(HCO3)+ 0.28568E-08 -8.5441 0.27481E-08 -8.5610 0.96198E+00 -0.0168 34 CaCl+ 0.32436E-08 -8.4890 0.31203E-08 -8.5058 0.96198E+00 -0.0168 35 CaCl2,aq 0.98382E-13 -13.0071 0.98382E-13 -13.0071 0.10000E+01 0.0000 36 CaOH+ 0.31792E-08 -8.4977 0.30584E-08 -8.5145 0.96198E+00 -0.0168 37 CaSO4,aq 0.10578E-06 -6.9756 0.10578E-06 -6.9756 0.10000E+01 0.0000 38 HCl,aq 0.82335E-11 -11.0844 0.82335E-11 -11.0844 0.10000E+01 0.0000 43 FeCl+ 0.11202E-09 -9.9507 0.10776E-09 -9.9675 0.96198E+00 -0.0168 44 FeCl2,aq 0.45279E-18 -18.3441 0.45279E-18 -18.3441 0.10000E+01 0.0000 46 FeO,aq 0.17395E-09 -9.7596 0.17395E-09 -9.7596 0.10000E+01 0.0000 47 FeOH+ 0.51273E-07 -7.2901 0.49323E-07 -7.3069 0.96198E+00 -0.0168 48 HFeO2- 0.55885E-11 -11.2527 0.53758E-11 -11.2696 0.96194E+00 -0.0169 49 FeO+ 0.26863E-11 -11.5708 0.25842E-11 -11.5877 0.96198E+00 -0.0168 50 FeOH+2 0.18494E-15 -15.7330 0.16708E-15 -15.7771 0.90343E+00 -0.0441 51 FeO2- 0.47957E-11 -11.3191 0.46132E-11 -11.3360 0.96194E+00 -0.0169 52 HFeO2,aq 0.19864E-09 -9.7019 0.19864E-09 -9.7019 0.10000E+01 0.0000 53 H2,aq 0.20727E-08 -8.6835 0.20726E-08 -8.6835 0.99992E+00 0.0000 54 KCl,aq 0.73663E-12 -12.1327 0.73663E-12 -12.1327 0.10000E+01 0.0000 55 KHSO4,aq 0.67219E-17 -17.1725 0.67219E-17 -17.1725 0.10000E+01 0.0000 56 KOH,aq 0.38630E-12 -12.4131 0.38630E-12 -12.4131 0.10000E+01 0.0000 57 KSO4- 0.11328E-09 -9.9459 0.10897E-09 -9.9627 0.96194E+00 -0.0169 58 MgCO3,aq 0.64527E-11 -11.1903 0.64527E-11 -11.1903 0.10000E+01 0.0000 59 Mg(HCO3)+ 0.21577E-09 -9.6660 0.20756E-09 -9.6828 0.96198E+00 -0.0168 60 MgCl+ 0.21730E-09 -9.6629 0.20904E-09 -9.6798 0.96198E+00 -0.0168 61 MgOH+ 0.13004E-08 -8.8859 0.12509E-08 -8.9028 0.96198E+00 -0.0168 63 MnO,aq 0.20912E-12 -12.6796 0.20912E-12 -12.6796 0.10000E+01 0.0000 64 MnOH+ 0.21490E-09 -9.6678 0.20673E-09 -9.6846 0.96198E+00 -0.0168 66 HMnO2- 0.46686E-17 -17.3308 0.44910E-17 -17.3477 0.96194E+00 -0.0169 69 MnCl+ 0.19663E-10 -10.7063 0.18915E-10 -10.7232 0.96198E+00 -0.0168 70 MnSO4,aq 0.15321E-09 -9.8147 0.15321E-09 -9.8147 0.10000E+01 0.0000 71 NaCl,aq 0.68516E-08 -8.1642 0.68516E-08 -8.1642 0.10000E+01 0.0000 72 NaOH,aq 0.19770E-09 -9.7040 0.19770E-09 -9.7040 0.10000E+01 0.0000 74 OH- 0.17741E-05 -5.7510 0.17066E-05 -5.7679 0.96191E+00 -0.0169 82 H3PO4,aq 0.93630E-12 -12.0286 0.93630E-12 -12.0286 0.10000E+01 0.0000 83 H2PO4- 0.75829E-08 -8.1202 0.72944E-08 -8.1370 0.96196E+00 -0.0168 84 PO4-3 0.34556E-14 -14.4615 0.28146E-14 -14.5506 0.81451E+00 -0.0891 87 H2P2O7-2 0.46174E-17 -17.3356 0.41721E-17 -17.3796 0.90354E+00 -0.0441 88 HP2O7-3 0.30236E-17 -17.5195 0.24606E-17 -17.6090 0.81380E+00 -0.0895 90 H2S,aq 0.71098E-08 -8.1481 0.71093E-08 -8.1482 0.99992E+00 0.0000 91 S2-2 0.54621E-18 -18.2626 0.49352E-18 -18.3067 0.90354E+00 -0.0441 96 SO2,aq 0.24327E-16 -16.6139 0.24327E-16 -16.6139 0.10000E+01 0.0000 97 SO3-2 0.68331E-14 -14.1654 0.61757E-14 -14.2093 0.90378E+00 -0.0439 98 HSO3- 0.13609E-12 -12.8662 0.13091E-12 -12.8830 0.96194E+00 -0.0169 99 HSO4- 0.77769E-08 -8.1092 0.74814E-08 -8.1260 0.96199E+00 -0.0168 101 S2O3-2 0.21193E-14 -14.6738 0.19149E-14 -14.7179 0.90354E+00 -0.0441 102 HS2O3- 0.12050E-18 -18.9190 0.11592E-18 -18.9359 0.96194E+00 -0.0169 Charge balance for all species = 0.7000E-15 Component Molality Aq.molality ppm log[A(N)/A(H+)**Z] (total) 1 H+ 0.3519148E-06 0.3245178E-05 0.3270906E-02 0.0000 2 H2O 0.1000000E+01 0.5550825E+02 0.9999859E+06 0.0000 3 Cl- 0.1379638E-03 0.1379742E-03 0.4891543E+01 2.5933 4 SO4-- 0.2537648E-04 0.2548982E-04 0.2448564E+01 8.3011 5 HCO3- 0.7703285E-05 0.1307001E-04 0.7974857E+00 1.3402 6 HS- 0.7063076E-08 0.1466533E-07 0.4850061E-03 -1.6975 7 Al+++ 0.3565214E-16 0.1579731E-06 0.4262300E-02 2.8737 8 H4SiO4 0.1557440E-04 0.1561918E-04 0.1501226E+01 -4.8076 9 Ca++ 0.1608085E-04 0.1619628E-04 0.6491069E+00 8.1030 10 Mg++ 0.1188735E-05 0.1190477E-05 0.2894253E-01 6.9717 11 Fe++ 0.5678589E-06 0.6196297E-06 0.3460405E-01 6.6509 12 K+ 0.3183571E-06 0.3184715E-06 0.1245272E-01 -0.0436 13 Na+ 0.1619468E-03 0.1619539E-03 0.3723245E+01 2.6629 14 Mn++ 0.2561992E-07 0.2600791E-07 0.1428805E-02 5.3052 15 HPO4-- 0.1292576E-08 0.8876369E-08 0.8519350E-03 4.0082 Component Tot moles Aq. moles Solid moles Gas moles 1 H+ -.1179777E-04 0.3245177E-05 -.1504295E-04 0.0000000E+00 2 H2O 0.5550823E+02 0.5550822E+02 0.9916162E-05 0.0000000E+00 3 Cl- 0.1379742E-03 0.1379742E-03 0.0000000E+00 0.0000000E+00 4 SO4-- 0.2554604E-04 0.2548980E-04 0.5623544E-07 0.0000000E+00 5 HCO3- 0.1307000E-04 0.1307000E-04 0.0000000E+00 0.0000000E+00 6 HS- -.4157011E-07 0.1466532E-07 -.5623544E-07 0.0000000E+00 7 Al+++ 0.4891112E-05 0.1579730E-06 0.4733139E-05 0.0000000E+00 8 H4SiO4 0.1561917E-04 0.1561917E-04 0.0000000E+00 0.0000000E+00 9 Ca++ 0.1619627E-04 0.1619627E-04 0.0000000E+00 0.0000000E+00 10 Mg++ 0.1190476E-05 0.1190476E-05 0.0000000E+00 0.0000000E+00 11 Fe++ 0.1069513E-05 0.6196294E-06 0.4498835E-06 0.0000000E+00 12 K+ 0.3184713E-06 0.3184713E-06 0.0000000E+00 0.0000000E+00 13 Na+ 0.1619539E-03 0.1619539E-03 0.0000000E+00 0.0000000E+00 14 Mn++ 0.2600789E-07 0.2600789E-07 0.0000000E+00 0.0000000E+00 15 HPO4-- 0.8876365E-08 0.8876365E-08 0.0000000E+00 0.0000000E+00 Chg. balance for solid moles: 0.9529E-21 Mass of aqueous solution: 0.100001E+04 g Temperature = 100.00 C Pressure = 50.00 bar Mixer frac. = 0.0015000 Log Log Vol Gas or mineral Moles Moles Grams Grams Wt.% (cm3) diaspore 0.4733E-05 -5.325 0.2839E-03 -3.547 88.77 0.8453E-04 hematite 0.2249E-06 -6.648 0.3592E-04 -4.445 11.23 0.6809E-05 Partial press. Fugacity coef Log fugacity Gas or Mineral Mole fraction or activity Activity coef Log activity diaspore 0.1000E+01 0.1000E+01 1.0000 0.000 hematite 0.1000E+01 0.1000E+01 1.0000 0.000 Solid products produced: Mass = 0.000320 g Volume = 0.000091 cm3 Porosity: 99.9909% V(tot) - V(min): 0.10005E+01 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: 0.0015000 g log = -2.8239 Original solution: 1000.0102895 g Original solution / Rock added: 666673.53 (Water/Rock Ratio), log = 5.8239 Gas composition at saturation ( 2 iterations) ------------------------------------------------- Temperature: 100.0000 deg.C Sat. pressure: 1.0209 bar Gas Mole fraction phi Fugacity Partial P(bar) H2O,gas 0.9994E+00 0.9859 0.1006E+01 0.1020E+01 CO2,gas 0.5579E-03 1.0071 0.5735E-03 0.5695E-03 CH4,gas 0.3037E-11 1.0125 0.3140E-11 0.3101E-11 H2,gas 0.2664E-05 1.0005 0.2721E-05 0.2720E-05 H2S,gas 0.1922E-06 0.9960 0.1954E-06 0.1962E-06 S2,gas 0.1897E-21 1.0000 0.1936E-21 0.1936E-21 CO,gas 0.4074E-12 1.0000 0.4159E-12 0.4159E-12 SO3,gas 0.9734E-33 1.0000 0.9937E-33 0.9937E-33 SO2,gas 0.1030E-15 1.0000 0.1052E-15 0.1052E-15 HCl,gas 0.1423E-13 1.0000 0.1453E-13 0.1453E-13 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 65 diaspore 2.87 2.87 0.00 0.000 -0.30331E-11 90 hematite 12.57 12.57 0.00 0.000 -0.30331E-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 -1.696 0.28965E+04 0.003 2 CO2,gas -6.66 -11.60 -4.94 -1.647 0.84356E+04 -3.241 3 CH4,gas 4.54 -8.66 -13.20 -3.301 0.22542E+05 -11.503 4 H2,gas 8.00 0.74 -7.26 -4.151 0.12403E+05 -5.565 5 H2S,gas -6.23 -14.64 -8.41 -4.204 0.14356E+05 -6.709 6 S2,gas -7.34 -30.75 -23.41 -3.602 0.39975E+05 -21.713 7 CO,gas 3.21 -10.87 -14.08 -4.332 0.24041E+05 -12.381 8 SO3,gas 17.12 -17.58 -34.70 -8.675 0.59252E+05 -33.003 9 SO2,gas 0.83 -16.84 -17.68 -4.714 0.30183E+05 -15.978 10 HCl,gas 5.19 -10.35 -15.54 -7.768 0.26529E+05 -13.838 21 andalusite 5.00 0.94 -4.06 -0.406 0.69353E+04 24 anhydrite -5.32 -9.48 -4.16 -2.080 0.71041E+04 35 aragonite 0.97 -3.50 -4.46 -1.488 0.76223E+04 37 calcite 0.81 -3.50 -4.31 -1.436 0.73581E+04 41 carpholite-Fe 6.71 2.78 -3.93 -0.262 0.67096E+04 47 daphnite 28.97 24.58 -4.39 -0.137 0.74896E+04 51 chloritoid-Fe 9.17 7.59 -1.58 -0.106 0.27029E+04 54 coesite -2.38 -4.81 -2.43 -0.811 0.41518E+04 59 corundum 8.38 5.75 -2.64 -0.240 0.45004E+04 61 cristobalite -2.56 -4.81 -2.25 -0.749 0.38371E+04 83 gibbsite 4.08 2.87 -1.21 -0.172 0.20585E+04 92 hercynite 17.28 12.40 -4.88 -0.325 0.83330E+04 98 kaolinite -1.33 -3.87 -2.54 -0.230 0.43285E+04 99 kyanite 4.88 0.94 -3.94 -0.394 0.67212E+04 107 magnetite 20.09 19.22 -0.87 -0.071 0.14861E+04 128 periclase-Fe 11.63 6.65 -4.98 -1.244 0.84959E+04 142 pyrite -21.25 -23.36 -2.11 -0.497 0.36099E+04 143 pyrrhotite -4.26 -7.99 -3.73 -1.242 0.63638E+04 144 pyrrhotiteFe0.875 -6.02 -8.91 -2.89 -1.064 0.49397E+04 147 quartz -2.99 -4.81 -1.82 -0.606 0.31044E+04 155 siderite -2.61 -4.95 -2.34 -0.781 0.39981E+04 156 sillimanite 5.26 0.94 -4.32 -0.432 0.73792E+04 177 topaz-H 4.62 0.94 -3.68 -0.334 0.62813E+04 178 tridymite -2.63 -4.81 -2.18 -0.727 0.37244E+04 181 troilite-low -4.41 -7.99 -3.58 -1.192 0.61066E+04 192 akaganeite 7.75 6.28 -1.47 -0.318 0.25125E+04 199 chalcedony -2.80 -4.81 -2.01 -0.668 0.34237E+04 214 gypsum -4.96 -9.48 -4.52 -1.131 0.77217E+04 233 boehmite 4.41 2.87 -1.53 -0.255 0.26169E+04 235 ferrous-oxide 9.81 6.65 -3.16 -0.790 0.53969E+04 240 silica-amorphous -2.09 -4.81 -2.72 -0.905 0.46379E+04 Calculations done for 100.0000 Deg. C; 50.0000 bar Next reactant titration increment of: 0.0001000 g Current total amount of reactant added: 0.0015000 g New total amount of reactant added: 0.0016000 g Solids and gases carried Charge balance check after fractionation or titration: TBAL = 0.7000E-15 ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ 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 = 0.0016000 Water: Moles liquid = 0.5551E+02 kg liquid = 0.1000E+01 Moles total = 0.5551E+02 kg total = 0.1000E+01 Activity = 1.0000 Stoichiometric ionic strength = .2448573E-03 Osmotic coef. = 0.9906 True ionic strength = .2422121E-03 Chg. balance for total moles = 0.7000E-15 Max. difference allowed = 0.1380E-07 Log Log Log Species(n) Molality Molality Activity Activity Gamma Gamma 1 H+ 0.32353E-06 -6.4901 0.31124E-06 -6.5069 0.96202E+00 -0.0168 2 H2O 0.10000E+01 0.0000 0.10000E+01 0.0000 3 Cl- 0.13796E-03 -3.8602 0.13271E-03 -3.8771 0.96192E+00 -0.0169 4 SO4-- 0.25365E-04 -4.5958 0.22917E-04 -4.6398 0.90349E+00 -0.0441 5 HCO3- 0.79669E-05 -5.0987 0.76637E-05 -5.1156 0.96194E+00 -0.0168 6 HS- 0.13272E-07 -7.8771 0.12766E-07 -7.8939 0.96192E+00 -0.0169 7 Al+++ 0.27705E-16 -16.5574 0.22541E-16 -16.6470 0.81361E+00 -0.0896 8 H4SiO4 0.16609E-04 -4.7797 0.16609E-04 -4.7797 0.10000E+01 0.0000 9 Ca++ 0.16195E-04 -4.7906 0.14630E-04 -4.8348 0.90337E+00 -0.0441 10 Mg++ 0.12679E-05 -5.8969 0.11453E-05 -5.9411 0.90330E+00 -0.0442 11 Fe++ 0.52486E-06 -6.2800 0.47411E-06 -6.3241 0.90332E+00 -0.0442 12 K+ 0.33958E-06 -6.4691 0.32666E-06 -6.4859 0.96195E+00 -0.0168 13 Na+ 0.16207E-03 -3.7903 0.15590E-03 -3.8072 0.96192E+00 -0.0169 14 Mn++ 0.27308E-07 -7.5637 0.24668E-07 -7.6079 0.90333E+00 -0.0442 15 HPO4-- 0.14809E-08 -8.8295 0.13380E-08 -8.8735 0.90349E+00 -0.0441 16 HSiO3- 0.51799E-07 -7.2857 0.49827E-07 -7.3025 0.96192E+00 -0.0169 17 Ca(HSiO3)+ 0.17258E-10 -10.7630 0.16601E-10 -10.7799 0.96195E+00 -0.0168 18 Mg(HSiO3)+ 0.16813E-11 -11.7744 0.16173E-11 -11.7912 0.96195E+00 -0.0168 19 NaHSiO3,aq 0.12564E-09 -9.9009 0.12564E-09 -9.9009 0.10000E+01 0.0000 20 AlO+ 0.32909E-10 -10.4827 0.31657E-10 -10.4995 0.96195E+00 -0.0168 21 AlOH+2 0.54310E-13 -13.2651 0.49061E-13 -13.3093 0.90335E+00 -0.0441 22 HAlO2,aq 0.20256E-07 -7.6935 0.20256E-07 -7.6935 0.10000E+01 0.0000 23 AlO2- 0.14977E-06 -6.8246 0.14406E-06 -6.8414 0.96189E+00 -0.0169 24 CH4,aq 0.41473E-14 -14.3822 0.41470E-14 -14.3823 0.99992E+00 0.0000 29 CO,aq 0.31733E-15 -15.4985 0.31733E-15 -15.4985 0.10000E+01 0.0000 30 CO2,aq 0.50971E-05 -5.2927 0.50967E-05 -5.2927 0.99992E+00 0.0000 31 CO3-2 0.23806E-08 -8.6233 0.21507E-08 -8.6674 0.90346E+00 -0.0441 32 CaCO3,aq 0.39454E-09 -9.4039 0.39454E-09 -9.4039 0.10000E+01 0.0000 33 Ca(HCO3)+ 0.29752E-08 -8.5265 0.28620E-08 -8.5433 0.96195E+00 -0.0168 34 CaCl+ 0.32663E-08 -8.4859 0.31420E-08 -8.5028 0.96195E+00 -0.0168 35 CaCl2,aq 0.99065E-13 -13.0041 0.99065E-13 -13.0041 0.10000E+01 0.0000 36 CaOH+ 0.34825E-08 -8.4581 0.33500E-08 -8.4749 0.96195E+00 -0.0168 37 CaSO4,aq 0.10647E-06 -6.9728 0.10647E-06 -6.9728 0.10000E+01 0.0000 38 HCl,aq 0.75689E-11 -11.1210 0.75689E-11 -11.1210 0.10000E+01 0.0000 43 FeCl+ 0.10353E-09 -9.9849 0.99591E-10 -10.0018 0.96195E+00 -0.0168 44 FeCl2,aq 0.41844E-18 -18.3784 0.41844E-18 -18.3784 0.10000E+01 0.0000 46 FeO,aq 0.19022E-09 -9.7207 0.19022E-09 -9.7207 0.10000E+01 0.0000 47 FeOH+ 0.51546E-07 -7.2878 0.49585E-07 -7.3046 0.96195E+00 -0.0168 48 HFeO2- 0.66479E-11 -11.1773 0.63948E-11 -11.1942 0.96192E+00 -0.0169 49 FeO+ 0.24696E-11 -11.6074 0.23757E-11 -11.6242 0.96195E+00 -0.0168 50 FeOH+2 0.15631E-15 -15.8060 0.14120E-15 -15.8502 0.90335E+00 -0.0441 51 FeO2- 0.52168E-11 -11.2826 0.50182E-11 -11.2995 0.96192E+00 -0.0169 52 HFeO2,aq 0.19864E-09 -9.7019 0.19864E-09 -9.7019 0.10000E+01 0.0000 53 H2,aq 0.24787E-08 -8.6058 0.24785E-08 -8.6058 0.99992E+00 0.0000 54 KCl,aq 0.78570E-12 -12.1047 0.78570E-12 -12.1047 0.10000E+01 0.0000 55 KHSO4,aq 0.65877E-17 -17.1813 0.65877E-17 -17.1813 0.10000E+01 0.0000 56 KOH,aq 0.44822E-12 -12.3485 0.44822E-12 -12.3485 0.10000E+01 0.0000 57 KSO4- 0.12076E-09 -9.9181 0.11617E-09 -9.9349 0.96192E+00 -0.0169 58 MgCO3,aq 0.77416E-11 -11.1112 0.77416E-11 -11.1112 0.10000E+01 0.0000 59 Mg(HCO3)+ 0.23798E-09 -9.6235 0.22893E-09 -9.6403 0.96195E+00 -0.0168 60 MgCl+ 0.23174E-09 -9.6350 0.22293E-09 -9.6518 0.96195E+00 -0.0168 61 MgOH+ 0.15085E-08 -8.8214 0.14511E-08 -8.8383 0.96195E+00 -0.0168 63 MnO,aq 0.26372E-12 -12.5789 0.26372E-12 -12.5789 0.10000E+01 0.0000 64 MnOH+ 0.24915E-09 -9.6035 0.23967E-09 -9.6204 0.96195E+00 -0.0168 66 HMnO2- 0.64046E-17 -17.1935 0.61607E-17 -17.2104 0.96192E+00 -0.0169 69 MnCl+ 0.20957E-10 -10.6787 0.20159E-10 -10.6955 0.96195E+00 -0.0168 70 MnSO4,aq 0.16321E-09 -9.7873 0.16321E-09 -9.7873 0.10000E+01 0.0000 71 NaCl,aq 0.68566E-08 -8.1639 0.68566E-08 -8.1639 0.10000E+01 0.0000 72 NaOH,aq 0.21521E-09 -9.6671 0.21521E-09 -9.6671 0.10000E+01 0.0000 74 OH- 0.19299E-05 -5.7145 0.18564E-05 -5.7313 0.96189E+00 -0.0169 79 HPO3-2 0.11439E-19 -19.9416 0.10335E-19 -19.9857 0.90346E+00 -0.0441 82 H3PO4,aq 0.90652E-12 -12.0426 0.90652E-12 -12.0426 0.10000E+01 0.0000 83 H2PO4- 0.79863E-08 -8.0977 0.76823E-08 -8.1145 0.96194E+00 -0.0169 84 PO4-3 0.43072E-14 -14.3658 0.35075E-14 -14.4550 0.81434E+00 -0.0892 87 H2P2O7-2 0.51221E-17 -17.2906 0.46276E-17 -17.3346 0.90346E+00 -0.0441 88 HP2O7-3 0.36489E-17 -17.4378 0.29688E-17 -17.5274 0.81362E+00 -0.0896 90 H2S,aq 0.12281E-07 -7.9108 0.12280E-07 -7.9108 0.99992E+00 0.0000 91 S2-2 0.16128E-17 -17.7924 0.14571E-17 -17.8365 0.90346E+00 -0.0441 96 SO2,aq 0.24573E-16 -16.6095 0.24573E-16 -16.6095 0.10000E+01 0.0000 97 SO3-2 0.81677E-14 -14.0879 0.73811E-14 -14.1319 0.90370E+00 -0.0440 98 HSO3- 0.14953E-12 -12.8253 0.14384E-12 -12.8421 0.96192E+00 -0.0169 99 HSO4- 0.71457E-08 -8.1460 0.68739E-08 -8.1628 0.96197E+00 -0.0168 101 S2O3-2 0.36591E-14 -14.4366 0.33059E-14 -14.4807 0.90346E+00 -0.0441 102 HS2O3- 0.19126E-18 -18.7184 0.18397E-18 -18.7352 0.96192E+00 -0.0169 Charge balance for all species = 0.7000E-15 Component Molality Aq.molality ppm log[A(N)/A(H+)**Z] (total) 1 H+ 0.3235251E-06 0.2745083E-05 0.2766846E-02 0.0000 2 H2O 0.1000000E+01 0.5550825E+02 0.9999858E+06 0.0000 3 Cl- 0.1379638E-03 0.1379742E-03 0.4891543E+01 2.6298 4 SO4-- 0.2536503E-04 0.2547834E-04 0.2447461E+01 8.3740 5 HCO3- 0.7966904E-05 0.1307001E-04 0.7974857E+00 1.3913 6 HS- 0.1327169E-07 0.2614676E-07 0.8647154E-03 -1.3870 7 Al+++ 0.2770508E-16 0.1700590E-06 0.4588392E-02 2.8737 8 H4SiO4 0.1660852E-04 0.1666046E-04 0.1601308E+01 -4.7797 9 Ca++ 0.1619470E-04 0.1631130E-04 0.6537163E+00 8.1791 10 Mg++ 0.1267854E-05 0.1269842E-05 0.3087203E-01 7.0727 11 Fe++ 0.5248554E-06 0.5769084E-06 0.3221822E-01 6.6897 12 K+ 0.3395809E-06 0.3397029E-06 0.1328291E-01 0.0210 13 Na+ 0.1620723E-03 0.1620795E-03 0.3726130E+01 2.6998 14 Mn++ 0.2730819E-07 0.2774177E-07 0.1524059E-02 5.4060 15 HPO4-- 0.1480942E-08 0.9468127E-08 0.9087306E-03 4.1403 Component Tot moles Aq. moles Solid moles Gas moles 1 H+ -.1345362E-04 0.2745081E-05 -.1619871E-04 0.0000000E+00 2 H2O 0.5550823E+02 0.5550822E+02 0.1065816E-04 0.0000000E+00 3 Cl- 0.1379742E-03 0.1379742E-03 0.0000000E+00 0.0000000E+00 4 SO4-- 0.2554881E-04 0.2547832E-04 0.7048820E-07 0.0000000E+00 5 HCO3- 0.1307000E-04 0.1307000E-04 0.0000000E+00 0.0000000E+00 6 HS- -.4434145E-07 0.2614675E-07 -.7048820E-07 0.0000000E+00 7 Al+++ 0.5217187E-05 0.1700589E-06 0.5047128E-05 0.0000000E+00 8 H4SiO4 0.1666045E-04 0.1666045E-04 0.0000000E+00 0.0000000E+00 9 Ca++ 0.1631129E-04 0.1631129E-04 0.0000000E+00 0.0000000E+00 10 Mg++ 0.1269841E-05 0.1269841E-05 0.0000000E+00 0.0000000E+00 11 Fe++ 0.1140814E-05 0.5769081E-06 0.5639056E-06 0.0000000E+00 12 K+ 0.3397028E-06 0.3397028E-06 0.0000000E+00 0.0000000E+00 13 Na+ 0.1620794E-03 0.1620794E-03 0.0000000E+00 0.0000000E+00 14 Mn++ 0.2774175E-07 0.2774175E-07 0.0000000E+00 0.0000000E+00 15 HPO4-- 0.9468123E-08 0.9468123E-08 0.0000000E+00 0.0000000E+00 Chg. balance for solid moles: 0.2329E-20 Mass of aqueous solution: 0.100001E+04 g Temperature = 100.00 C Pressure = 50.00 bar Mixer frac. = 0.0016000 Log Log Vol Gas or mineral Moles Moles Grams Grams Wt.% (cm3) diaspore 0.5047E-05 -5.297 0.3028E-03 -3.519 87.05 0.9014E-04 hematite 0.2820E-06 -6.550 0.4503E-04 -4.347 12.95 0.8534E-05 Partial press. Fugacity coef Log fugacity Gas or Mineral Mole fraction or activity Activity coef Log activity diaspore 0.1000E+01 0.1000E+01 1.0000 0.000 hematite 0.1000E+01 0.1000E+01 1.0000 0.000 Solid products produced: Mass = 0.000348 g Volume = 0.000099 cm3 Porosity: 99.9901% V(tot) - V(min): 0.10005E+01 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: 0.0016000 g log = -2.7959 Original solution: 1000.0102895 g Original solution / Rock added: 625006.43 (Water/Rock Ratio), log = 5.7959 Gas composition at saturation ( 2 iterations) ------------------------------------------------- Temperature: 100.0000 deg.C Sat. pressure: 1.0208 bar Gas Mole fraction phi Fugacity Partial P(bar) H2O,gas 0.9995E+00 0.9859 0.1006E+01 0.1020E+01 CO2,gas 0.5304E-03 1.0071 0.5453E-03 0.5415E-03 CH4,gas 0.5906E-11 1.0125 0.6104E-11 0.6029E-11 H2,gas 0.3186E-05 1.0005 0.3254E-05 0.3252E-05 H2S,gas 0.3320E-06 0.9960 0.3376E-06 0.3389E-06 S2,gas 0.3957E-21 1.0000 0.4040E-21 0.4040E-21 CO,gas 0.4632E-12 1.0000 0.4729E-12 0.4729E-12 SO3,gas 0.8222E-33 1.0000 0.8394E-33 0.8394E-33 SO2,gas 0.1041E-15 1.0000 0.1063E-15 0.1063E-15 HCl,gas 0.1308E-13 1.0000 0.1336E-13 0.1336E-13 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 65 diaspore 2.87 2.87 0.00 0.000 -0.30331E-11 90 hematite 12.57 12.57 0.00 0.000 -0.30331E-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 -1.696 0.28965E+04 0.003 2 CO2,gas -6.66 -11.62 -4.96 -1.654 0.84731E+04 -3.263 3 CH4,gas 4.54 -8.37 -12.91 -3.228 0.22049E+05 -11.214 4 H2,gas 8.00 0.81 -7.19 -4.107 0.12271E+05 -5.488 5 H2S,gas -6.23 -14.40 -8.17 -4.085 0.13951E+05 -6.472 6 S2,gas -7.34 -30.43 -23.09 -3.553 0.39430E+05 -21.394 7 CO,gas 3.21 -10.81 -14.02 -4.315 0.23946E+05 -12.325 8 SO3,gas 17.12 -17.65 -34.78 -8.694 0.59377E+05 -33.076 9 SO2,gas 0.83 -16.84 -17.67 -4.713 0.30175E+05 -15.974 10 HCl,gas 5.19 -10.38 -15.57 -7.787 0.26591E+05 -13.874 21 andalusite 5.00 0.97 -4.03 -0.403 0.68876E+04 24 anhydrite -5.32 -9.47 -4.16 -2.079 0.70993E+04 35 aragonite 0.97 -3.44 -4.41 -1.470 0.75298E+04 37 calcite 0.81 -3.44 -4.26 -1.418 0.72656E+04 41 carpholite-Fe 6.71 2.88 -3.83 -0.256 0.65480E+04 47 daphnite 28.97 24.86 -4.11 -0.128 0.70150E+04 51 chloritoid-Fe 9.17 7.66 -1.52 -0.101 0.25889E+04 54 coesite -2.38 -4.78 -2.40 -0.801 0.41041E+04 59 corundum 8.38 5.75 -2.64 -0.240 0.45004E+04 61 cristobalite -2.56 -4.78 -2.22 -0.740 0.37894E+04 83 gibbsite 4.08 2.87 -1.21 -0.172 0.20585E+04 92 hercynite 17.28 12.44 -4.84 -0.323 0.82667E+04 98 kaolinite -1.33 -3.81 -2.48 -0.225 0.42331E+04 99 kyanite 4.88 0.97 -3.91 -0.391 0.66735E+04 107 magnetite 20.09 19.26 -0.83 -0.068 0.14198E+04 128 periclase-Fe 11.63 6.69 -4.94 -1.234 0.84296E+04 142 pyrite -21.25 -22.93 -1.68 -0.395 0.28656E+04 143 pyrrhotite -4.26 -7.71 -3.45 -1.150 0.58922E+04 144 pyrrhotiteFe0.875 -6.02 -8.65 -2.63 -0.968 0.44928E+04 147 quartz -2.99 -4.78 -1.79 -0.597 0.30568E+04 155 siderite -2.61 -4.93 -2.32 -0.775 0.39692E+04 156 sillimanite 5.26 0.97 -4.29 -0.429 0.73315E+04 177 topaz-H 4.62 0.97 -3.65 -0.332 0.62336E+04 178 tridymite -2.63 -4.78 -2.15 -0.718 0.36768E+04 181 troilite-low -4.41 -7.71 -3.30 -1.100 0.56350E+04 192 akaganeite 7.75 6.28 -1.47 -0.318 0.25125E+04 199 chalcedony -2.80 -4.78 -1.98 -0.659 0.33761E+04 214 gypsum -4.96 -9.47 -4.52 -1.130 0.77169E+04 233 boehmite 4.41 2.87 -1.53 -0.255 0.26169E+04 235 ferrous-oxide 9.81 6.69 -3.12 -0.780 0.53305E+04 240 silica-amorphous -2.09 -4.78 -2.69 -0.896 0.45903E+04 Calculations done for 100.0000 Deg. C; 50.0000 bar Next reactant titration increment of: 0.0001000 g Current total amount of reactant added: 0.0016000 g New total amount of reactant added: 0.0017000 g Solids and gases carried Charge balance check after fractionation or titration: TBAL = 0.7000E-15 ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ 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 = 0.0017000 Water: Moles liquid = 0.5551E+02 kg liquid = 0.1000E+01 Moles total = 0.5551E+02 kg total = 0.1000E+01 Activity = 1.0000 Stoichiometric ionic strength = .2452631E-03 Osmotic coef. = 0.9906 True ionic strength = .2427597E-03 Chg. balance for total moles = 0.7000E-15 Max. difference allowed = 0.1380E-07 Log Log Log Species(n) Molality Molality Activity Activity Gamma Gamma 1 H+ 0.29848E-06 -6.5251 0.28714E-06 -6.5419 0.96200E+00 -0.0168 2 H2O 0.10000E+01 0.0000 0.10000E+01 0.0000 3 Cl- 0.13796E-03 -3.8602 0.13271E-03 -3.8771 0.96190E+00 -0.0169 4 SO4-- 0.25353E-04 -4.5960 0.22904E-04 -4.6401 0.90341E+00 -0.0441 5 HCO3- 0.82148E-05 -5.0854 0.79020E-05 -5.1023 0.96192E+00 -0.0169 6 HS- 0.20390E-07 -7.6906 0.19613E-07 -7.7075 0.96190E+00 -0.0169 7 Al+++ 0.21760E-16 -16.6623 0.17700E-16 -16.7520 0.81345E+00 -0.0897 8 H4SiO4 0.17642E-04 -4.7535 0.17642E-04 -4.7535 0.10000E+01 0.0000 9 Ca++ 0.16309E-04 -4.7876 0.14731E-04 -4.8318 0.90329E+00 -0.0442 10 Mg++ 0.13470E-05 -5.8706 0.12166E-05 -5.9149 0.90322E+00 -0.0442 11 Fe++ 0.47621E-06 -6.3222 0.43013E-06 -6.3664 0.90323E+00 -0.0442 12 K+ 0.36080E-06 -6.4427 0.34707E-06 -6.4596 0.96193E+00 -0.0169 13 Na+ 0.16220E-03 -3.7900 0.15602E-03 -3.8068 0.96190E+00 -0.0169 14 Mn++ 0.28993E-07 -7.5377 0.26188E-07 -7.5819 0.90325E+00 -0.0442 15 HPO4-- 0.16836E-08 -8.7738 0.15210E-08 -8.8179 0.90341E+00 -0.0441 16 HSiO3- 0.59641E-07 -7.2245 0.57369E-07 -7.2413 0.96190E+00 -0.0169 17 Ca(HSiO3)+ 0.20008E-10 -10.6988 0.19247E-10 -10.7156 0.96193E+00 -0.0169 18 Mg(HSiO3)+ 0.20564E-11 -11.6869 0.19781E-11 -11.7037 0.96193E+00 -0.0169 19 NaHSiO3,aq 0.14476E-09 -9.8393 0.14476E-09 -9.8393 0.10000E+01 0.0000 20 AlO+ 0.30362E-10 -10.5177 0.29206E-10 -10.5345 0.96193E+00 -0.0169 21 AlOH+2 0.46230E-13 -13.3351 0.41758E-13 -13.3793 0.90326E+00 -0.0442 22 HAlO2,aq 0.20256E-07 -7.6935 0.20256E-07 -7.6935 0.10000E+01 0.0000 23 AlO2- 0.16234E-06 -6.7896 0.15615E-06 -6.8065 0.96187E+00 -0.0169 24 CH4,aq 0.65735E-14 -14.1822 0.65730E-14 -14.1822 0.99992E+00 0.0000 29 CO,aq 0.34296E-15 -15.4648 0.34296E-15 -15.4648 0.10000E+01 0.0000 30 CO2,aq 0.48487E-05 -5.3144 0.48483E-05 -5.3144 0.99992E+00 0.0000 31 CO3-2 0.26608E-08 -8.5750 0.24037E-08 -8.6191 0.90337E+00 -0.0441 32 CaCO3,aq 0.44401E-09 -9.3526 0.44401E-09 -9.3526 0.10000E+01 0.0000 33 Ca(HCO3)+ 0.30890E-08 -8.5102 0.29714E-08 -8.5270 0.96193E+00 -0.0169 34 CaCl+ 0.32889E-08 -8.4829 0.31637E-08 -8.4998 0.96193E+00 -0.0169 35 CaCl2,aq 0.99747E-13 -13.0011 0.99747E-13 -13.0011 0.10000E+01 0.0000 36 CaOH+ 0.38011E-08 -8.4201 0.36564E-08 -8.4369 0.96193E+00 -0.0169 37 CaSO4,aq 0.10714E-06 -6.9700 0.10714E-06 -6.9700 0.10000E+01 0.0000 38 HCl,aq 0.69827E-11 -11.1560 0.69827E-11 -11.1560 0.10000E+01 0.0000 43 FeCl+ 0.93926E-10 -10.0272 0.90350E-10 -10.0441 0.96193E+00 -0.0169 44 FeCl2,aq 0.37961E-18 -18.4207 0.37961E-18 -18.4207 0.10000E+01 0.0000 46 FeO,aq 0.20276E-09 -9.6930 0.20276E-09 -9.6930 0.10000E+01 0.0000 47 FeOH+ 0.50690E-07 -7.2951 0.48761E-07 -7.3119 0.96193E+00 -0.0169 48 HFeO2- 0.76809E-11 -11.1146 0.73882E-11 -11.1315 0.96190E+00 -0.0169 49 FeO+ 0.22785E-11 -11.6424 0.21917E-11 -11.6592 0.96193E+00 -0.0169 50 FeOH+2 0.13306E-15 -15.8760 0.12018E-15 -15.9202 0.90326E+00 -0.0442 51 FeO2- 0.56548E-11 -11.2476 0.54393E-11 -11.2645 0.96190E+00 -0.0169 52 HFeO2,aq 0.19864E-09 -9.7019 0.19864E-09 -9.7019 0.10000E+01 0.0000 53 H2,aq 0.28161E-08 -8.5503 0.28159E-08 -8.5504 0.99992E+00 0.0000 54 KCl,aq 0.83477E-12 -12.0784 0.83477E-12 -12.0784 0.10000E+01 0.0000 55 KHSO4,aq 0.64536E-17 -17.1902 0.64536E-17 -17.1902 0.10000E+01 0.0000 56 KOH,aq 0.51618E-12 -12.2872 0.51618E-12 -12.2872 0.10000E+01 0.0000 57 KSO4- 0.12824E-09 -9.8920 0.12335E-09 -9.9089 0.96190E+00 -0.0169 58 MgCO3,aq 0.91911E-11 -11.0366 0.91911E-11 -11.0366 0.10000E+01 0.0000 59 Mg(HCO3)+ 0.26067E-09 -9.5839 0.25075E-09 -9.6008 0.96193E+00 -0.0169 60 MgCl+ 0.24618E-09 -9.6088 0.23681E-09 -9.6256 0.96193E+00 -0.0169 61 MgOH+ 0.17370E-08 -8.7602 0.16709E-08 -8.7770 0.96193E+00 -0.0169 63 MnO,aq 0.32893E-12 -12.4829 0.32893E-12 -12.4829 0.10000E+01 0.0000 64 MnOH+ 0.28670E-09 -9.5426 0.27579E-09 -9.5594 0.96193E+00 -0.0169 66 HMnO2- 0.86589E-17 -17.0625 0.83289E-17 -17.0794 0.96190E+00 -0.0169 69 MnCl+ 0.22248E-10 -10.6527 0.21401E-10 -10.6696 0.96193E+00 -0.0169 70 MnSO4,aq 0.17316E-09 -9.7616 0.17316E-09 -9.7616 0.10000E+01 0.0000 71 NaCl,aq 0.68615E-08 -8.1636 0.68615E-08 -8.1636 0.10000E+01 0.0000 72 NaOH,aq 0.23345E-09 -9.6318 0.23345E-09 -9.6318 0.10000E+01 0.0000 74 OH- 0.20919E-05 -5.6795 0.20122E-05 -5.6963 0.96187E+00 -0.0169 79 HPO3-2 0.14774E-19 -19.8305 0.13347E-19 -19.8746 0.90337E+00 -0.0441 82 H3PO4,aq 0.87706E-12 -12.0570 0.87706E-12 -12.0570 0.10000E+01 0.0000 83 H2PO4- 0.83754E-08 -8.0770 0.80565E-08 -8.0939 0.96191E+00 -0.0169 84 PO4-3 0.53080E-14 -14.2751 0.43217E-14 -14.3643 0.81417E+00 -0.0893 87 H2P2O7-2 0.56337E-17 -17.2492 0.50893E-17 -17.2933 0.90337E+00 -0.0441 88 HP2O7-3 0.43507E-17 -17.3614 0.35391E-17 -17.4511 0.81345E+00 -0.0897 90 H2S,aq 0.17407E-07 -7.7593 0.17406E-07 -7.7593 0.99992E+00 0.0000 91 S2-2 0.33507E-17 -17.4749 0.30269E-17 -17.5190 0.90337E+00 -0.0441 96 SO2,aq 0.23748E-16 -16.6244 0.23748E-16 -16.6244 0.10000E+01 0.0000 97 SO3-2 0.92751E-14 -14.0327 0.83811E-14 -14.0767 0.90361E+00 -0.0440 98 HSO3- 0.15665E-12 -12.8051 0.15068E-12 -12.8219 0.96190E+00 -0.0169 99 HSO4- 0.65887E-08 -8.1812 0.63380E-08 -8.1980 0.96195E+00 -0.0168 101 S2O3-2 0.51838E-14 -14.2854 0.46829E-14 -14.3295 0.90337E+00 -0.0441 102 HS2O3- 0.24995E-18 -18.6021 0.24043E-18 -18.6190 0.96190E+00 -0.0169 Charge balance for all species = 0.7000E-15 Component Molality Aq.molality ppm log[A(N)/A(H+)**Z] (total) 1 H+ 0.2984831E-06 0.2256237E-05 0.2274124E-02 0.0000 2 H2O 0.1000000E+01 0.5550825E+02 0.9999857E+06 0.0000 3 Cl- 0.1379637E-03 0.1379743E-03 0.4891542E+01 2.6648 4 SO4-- 0.2535266E-04 0.2546601E-04 0.2446276E+01 8.4437 5 HCO3- 0.8214844E-05 0.1307001E-04 0.7974856E+00 1.4396 6 HS- 0.2038991E-07 0.3847501E-07 0.1272430E-02 -1.1656 7 Al+++ 0.2175981E-16 0.1826293E-06 0.4927553E-02 2.8737 8 H4SiO4 0.1764193E-04 0.1770174E-04 0.1701389E+01 -4.7535 9 Ca++ 0.1630853E-04 0.1642631E-04 0.6583258E+00 8.2521 10 Mg++ 0.1346952E-05 0.1349207E-05 0.3280153E-01 7.1690 11 Fe++ 0.4762113E-06 0.5274126E-06 0.2945406E-01 6.7174 12 K+ 0.3608048E-06 0.3609344E-06 0.1411309E-01 0.0823 13 Na+ 0.1621978E-03 0.1622050E-03 0.3729016E+01 2.7351 14 Mn++ 0.2899319E-07 0.2947563E-07 0.1619313E-02 5.5019 15 HPO4-- 0.1683564E-08 0.1005989E-07 0.9655261E-03 4.2659 Component Tot moles Aq. moles Solid moles Gas moles 1 H+ -.1510948E-04 0.2256235E-05 -.1736571E-04 0.0000000E+00 2 H2O 0.5550823E+02 0.5550822E+02 0.1140597E-04 0.0000000E+00 3 Cl- 0.1379742E-03 0.1379742E-03 0.0000000E+00 0.0000000E+00 4 SO4-- 0.2555158E-04 0.2546600E-04 0.8558779E-07 0.0000000E+00 5 HCO3- 0.1307000E-04 0.1307000E-04 0.0000000E+00 0.0000000E+00 6 HS- -.4711280E-07 0.3847499E-07 -.8558779E-07 0.0000000E+00 7 Al+++ 0.5543261E-05 0.1826292E-06 0.5360632E-05 0.0000000E+00 8 H4SiO4 0.1770173E-04 0.1770173E-04 0.0000000E+00 0.0000000E+00 9 Ca++ 0.1642630E-04 0.1642630E-04 0.0000000E+00 0.0000000E+00 10 Mg++ 0.1349206E-05 0.1349206E-05 0.0000000E+00 0.0000000E+00 11 Fe++ 0.1212115E-05 0.5274123E-06 0.6847023E-06 0.0000000E+00 12 K+ 0.3609342E-06 0.3609342E-06 0.0000000E+00 0.0000000E+00 13 Na+ 0.1622049E-03 0.1622049E-03 0.0000000E+00 0.0000000E+00 14 Mn++ 0.2947561E-07 0.2947561E-07 0.0000000E+00 0.0000000E+00 15 HPO4-- 0.1005988E-07 0.1005988E-07 0.0000000E+00 0.0000000E+00 Chg. balance for solid moles: 0.0000E+00 Mass of aqueous solution: 0.100001E+04 g Temperature = 100.00 C Pressure = 50.00 bar Mixer frac. = 0.0017000 Log Log Vol Gas or mineral Moles Moles Grams Grams Wt.% (cm3) diaspore 0.5361E-05 -5.271 0.3216E-03 -3.493 85.47 0.9574E-04 hematite 0.3424E-06 -6.466 0.5467E-04 -4.262 14.53 0.1036E-04 Partial press. Fugacity coef Log fugacity Gas or Mineral Mole fraction or activity Activity coef Log activity diaspore 0.1000E+01 0.1000E+01 1.0000 0.000 hematite 0.1000E+01 0.1000E+01 1.0000 0.000 Solid products produced: Mass = 0.000376 g Volume = 0.000106 cm3 Porosity: 99.9894% V(tot) - V(min): 0.10006E+01 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: 0.0017000 g log = -2.7696 Original solution: 1000.0102895 g Original solution / Rock added: 588241.35 (Water/Rock Ratio), log = 5.7696 Gas composition at saturation ( 2 iterations) ------------------------------------------------- Temperature: 100.0000 deg.C Sat. pressure: 1.0208 bar Gas Mole fraction phi Fugacity Partial P(bar) H2O,gas 0.9995E+00 0.9859 0.1006E+01 0.1020E+01 CO2,gas 0.5046E-03 1.0071 0.5187E-03 0.5151E-03 CH4,gas 0.9361E-11 1.0125 0.9675E-11 0.9555E-11 H2,gas 0.3620E-05 1.0005 0.3697E-05 0.3695E-05 H2S,gas 0.4706E-06 0.9960 0.4785E-06 0.4804E-06 S2,gas 0.6159E-21 1.0000 0.6287E-21 0.6287E-21 CO,gas 0.5007E-12 1.0000 0.5111E-12 0.5111E-12 SO3,gas 0.6995E-33 1.0000 0.7140E-33 0.7140E-33 SO2,gas 0.1006E-15 1.0000 0.1027E-15 0.1027E-15 HCl,gas 0.1207E-13 1.0000 0.1232E-13 0.1232E-13 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 65 diaspore 2.87 2.87 0.00 0.000 -0.30331E-11 90 hematite 12.57 12.57 0.00 0.000 -0.90992E-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 -1.696 0.28965E+04 0.003 2 CO2,gas -6.66 -11.64 -4.98 -1.661 0.85101E+04 -3.285 3 CH4,gas 4.54 -8.17 -12.71 -3.178 0.21708E+05 -11.014 4 H2,gas 8.00 0.87 -7.13 -4.075 0.12176E+05 -5.432 5 H2S,gas -6.23 -14.25 -8.02 -4.010 0.13692E+05 -6.320 6 S2,gas -7.34 -30.24 -22.90 -3.523 0.39102E+05 -21.202 7 CO,gas 3.21 -10.78 -13.99 -4.305 0.23888E+05 -12.292 8 SO3,gas 17.12 -17.72 -34.85 -8.711 0.59497E+05 -33.146 9 SO2,gas 0.83 -16.86 -17.69 -4.717 0.30201E+05 -15.988 10 HCl,gas 5.19 -10.42 -15.61 -7.804 0.26651E+05 -13.909 21 andalusite 5.00 0.99 -4.01 -0.401 0.68428E+04 24 anhydrite -5.32 -9.47 -4.16 -2.078 0.70946E+04 35 aragonite 0.97 -3.39 -4.36 -1.453 0.74422E+04 37 calcite 0.81 -3.39 -4.20 -1.401 0.71780E+04 41 carpholite-Fe 6.71 2.96 -3.75 -0.250 0.64111E+04 47 daphnite 28.97 25.07 -3.89 -0.122 0.66441E+04 51 chloritoid-Fe 9.17 7.71 -1.46 -0.097 0.24968E+04 52 chloritoid-Mn 11.40 6.50 -4.91 -0.327 0.83755E+04 54 coesite -2.38 -4.75 -2.38 -0.792 0.40593E+04 59 corundum 8.38 5.75 -2.64 -0.240 0.45004E+04 61 cristobalite -2.56 -4.75 -2.19 -0.731 0.37447E+04 83 gibbsite 4.08 2.87 -1.21 -0.172 0.20585E+04 92 hercynite 17.28 12.46 -4.81 -0.321 0.82193E+04 98 kaolinite -1.33 -3.76 -2.43 -0.221 0.41436E+04 99 kyanite 4.88 0.99 -3.88 -0.388 0.66287E+04 107 magnetite 20.09 19.28 -0.80 -0.066 0.13725E+04 128 periclase-Fe 11.63 6.72 -4.91 -1.227 0.83823E+04 142 pyrite -21.25 -22.65 -1.40 -0.330 0.23956E+04 143 pyrrhotite -4.26 -7.53 -3.27 -1.091 0.55862E+04 144 pyrrhotiteFe0.875 -6.02 -8.48 -2.46 -0.906 0.42045E+04 147 quartz -2.99 -4.75 -1.76 -0.588 0.30120E+04 155 siderite -2.61 -4.93 -2.32 -0.773 0.39590E+04 156 sillimanite 5.26 0.99 -4.27 -0.427 0.72868E+04 177 topaz-H 4.62 0.99 -3.62 -0.330 0.61888E+04 178 tridymite -2.63 -4.75 -2.13 -0.709 0.36320E+04 181 troilite-low -4.41 -7.53 -3.12 -1.040 0.53290E+04 192 akaganeite 7.75 6.28 -1.47 -0.318 0.25125E+04 199 chalcedony -2.80 -4.75 -1.95 -0.650 0.33313E+04 214 gypsum -4.96 -9.47 -4.52 -1.129 0.77122E+04 233 boehmite 4.41 2.87 -1.53 -0.255 0.26169E+04 235 ferrous-oxide 9.81 6.72 -3.09 -0.774 0.52832E+04 240 silica-amorphous -2.09 -4.75 -2.66 -0.887 0.45455E+04 Calculations done for 100.0000 Deg. C; 50.0000 bar Next reactant titration increment of: 0.0001000 g Current total amount of reactant added: 0.0017000 g New total amount of reactant added: 0.0018000 g Solids and gases carried Charge balance check after fractionation or titration: TBAL = 0.7000E-15 ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ 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 = 0.0018000 Water: Moles liquid = 0.5551E+02 kg liquid = 0.1000E+01 Moles total = 0.5551E+02 kg total = 0.1000E+01 Activity = 1.0000 Stoichiometric ionic strength = .2456709E-03 Osmotic coef. = 0.9906 True ionic strength = .2433085E-03 Chg. balance for total moles = 0.7000E-15 Max. difference allowed = 0.1380E-07 Log Log Log Species(n) Molality Molality Activity Activity Gamma Gamma 1 H+ 0.27584E-06 -6.5593 0.26536E-06 -6.5762 0.96198E+00 -0.0168 2 H2O 0.10000E+01 0.0000 0.10000E+01 0.0000 3 Cl- 0.13796E-03 -3.8602 0.13270E-03 -3.8771 0.96188E+00 -0.0169 4 SO4-- 0.25340E-04 -4.5962 0.22890E-04 -4.6403 0.90333E+00 -0.0442 5 HCO3- 0.84526E-05 -5.0730 0.81306E-05 -5.0899 0.96190E+00 -0.0169 6 HS- 0.28028E-07 -7.5524 0.26960E-07 -7.5693 0.96188E+00 -0.0169 7 Al+++ 0.17177E-16 -16.7650 0.13970E-16 -16.8548 0.81328E+00 -0.0898 8 H4SiO4 0.18675E-04 -4.7288 0.18675E-04 -4.7288 0.10000E+01 0.0000 9 Ca++ 0.16422E-04 -4.7846 0.14833E-04 -4.8288 0.90321E+00 -0.0442 10 Mg++ 0.14260E-05 -5.8459 0.12879E-05 -5.8901 0.90313E+00 -0.0442 11 Fe++ 0.42746E-06 -6.3691 0.38606E-06 -6.4133 0.90315E+00 -0.0442 12 K+ 0.38203E-06 -6.4179 0.36748E-06 -6.4348 0.96191E+00 -0.0169 13 Na+ 0.16232E-03 -3.7896 0.15613E-03 -3.8065 0.96187E+00 -0.0169 14 Mn++ 0.30674E-07 -7.5132 0.27704E-07 -7.5575 0.90316E+00 -0.0442 15 HPO4-- 0.19029E-08 -8.7206 0.17190E-08 -8.7647 0.90333E+00 -0.0442 16 HSiO3- 0.68317E-07 -7.1655 0.65712E-07 -7.1824 0.96188E+00 -0.0169 17 Ca(HSiO3)+ 0.23076E-10 -10.6368 0.22197E-10 -10.6537 0.96191E+00 -0.0169 18 Mg(HSiO3)+ 0.24936E-11 -11.6032 0.23986E-11 -11.6200 0.96191E+00 -0.0169 19 NaHSiO3,aq 0.16594E-09 -9.7800 0.16594E-09 -9.7800 0.10000E+01 0.0000 20 AlO+ 0.28059E-10 -10.5519 0.26990E-10 -10.5688 0.96191E+00 -0.0169 21 AlOH+2 0.39485E-13 -13.4036 0.35662E-13 -13.4478 0.90318E+00 -0.0442 22 HAlO2,aq 0.20256E-07 -7.6935 0.20256E-07 -7.6935 0.10000E+01 0.0000 23 AlO2- 0.17567E-06 -6.7553 0.16897E-06 -6.7722 0.96184E+00 -0.0169 24 CH4,aq 0.93027E-14 -14.0314 0.93020E-14 -14.0314 0.99992E+00 0.0000 29 CO,aq 0.36019E-15 -15.4435 0.36019E-15 -15.4435 0.10000E+01 0.0000 30 CO2,aq 0.46104E-05 -5.3363 0.46101E-05 -5.3363 0.99992E+00 0.0000 31 CO3-2 0.29628E-08 -8.5283 0.26763E-08 -8.5725 0.90329E+00 -0.0442 32 CaCO3,aq 0.49775E-09 -9.3030 0.49775E-09 -9.3030 0.10000E+01 0.0000 33 Ca(HCO3)+ 0.32003E-08 -8.4948 0.30784E-08 -8.5117 0.96191E+00 -0.0169 34 CaCl+ 0.33116E-08 -8.4800 0.31854E-08 -8.4968 0.96191E+00 -0.0169 35 CaCl2,aq 0.10043E-12 -12.9981 0.10043E-12 -12.9981 0.10000E+01 0.0000 36 CaOH+ 0.41415E-08 -8.3828 0.39838E-08 -8.3997 0.96191E+00 -0.0169 37 CaSO4,aq 0.10782E-06 -6.9673 0.10782E-06 -6.9673 0.10000E+01 0.0000 38 HCl,aq 0.64528E-11 -11.1903 0.64528E-11 -11.1903 0.10000E+01 0.0000 43 FeCl+ 0.84303E-10 -10.0742 0.81091E-10 -10.0910 0.96191E+00 -0.0169 44 FeCl2,aq 0.34070E-18 -18.4676 0.34070E-18 -18.4676 0.10000E+01 0.0000 46 FeO,aq 0.21309E-09 -9.6714 0.21309E-09 -9.6714 0.10000E+01 0.0000 47 FeOH+ 0.49233E-07 -7.3077 0.47358E-07 -7.3246 0.96191E+00 -0.0169 48 HFeO2- 0.87352E-11 -11.0587 0.84021E-11 -11.0756 0.96188E+00 -0.0169 49 FeO+ 0.21057E-11 -11.6766 0.20254E-11 -11.6935 0.96191E+00 -0.0169 50 FeOH+2 0.11364E-15 -15.9445 0.10264E-15 -15.9887 0.90318E+00 -0.0442 51 FeO2- 0.61191E-11 -11.2133 0.58858E-11 -11.2302 0.96188E+00 -0.0169 52 HFeO2,aq 0.19864E-09 -9.7019 0.19864E-09 -9.7019 0.10000E+01 0.0000 53 H2,aq 0.31105E-08 -8.5072 0.31102E-08 -8.5072 0.99992E+00 0.0000 54 KCl,aq 0.88383E-12 -12.0536 0.88383E-12 -12.0536 0.10000E+01 0.0000 55 KHSO4,aq 0.63110E-17 -17.1999 0.63110E-17 -17.1999 0.10000E+01 0.0000 56 KOH,aq 0.59140E-12 -12.2281 0.59140E-12 -12.2281 0.10000E+01 0.0000 57 KSO4- 0.13570E-09 -9.8674 0.13053E-09 -9.8843 0.96188E+00 -0.0169 58 MgCO3,aq 0.10833E-10 -10.9652 0.10833E-10 -10.9652 0.10000E+01 0.0000 59 Mg(HCO3)+ 0.28394E-09 -9.5468 0.27312E-09 -9.5636 0.96191E+00 -0.0169 60 MgCl+ 0.26061E-09 -9.5840 0.25068E-09 -9.6009 0.96191E+00 -0.0169 61 MgOH+ 0.19898E-08 -8.7012 0.19140E-08 -8.7180 0.96191E+00 -0.0169 63 MnO,aq 0.40745E-12 -12.3899 0.40745E-12 -12.3899 0.10000E+01 0.0000 64 MnOH+ 0.32820E-09 -9.4839 0.31570E-09 -9.5007 0.96191E+00 -0.0169 66 HMnO2- 0.11607E-16 -16.9353 0.11164E-16 -16.9522 0.96188E+00 -0.0169 69 MnCl+ 0.23536E-10 -10.6283 0.22639E-10 -10.6451 0.96191E+00 -0.0169 70 MnSO4,aq 0.18307E-09 -9.7374 0.18307E-09 -9.7374 0.10000E+01 0.0000 71 NaCl,aq 0.68665E-08 -8.1633 0.68665E-08 -8.1633 0.10000E+01 0.0000 72 NaOH,aq 0.25280E-09 -9.5972 0.25280E-09 -9.5972 0.10000E+01 0.0000 74 OH- 0.22637E-05 -5.6452 0.21773E-05 -5.6621 0.96184E+00 -0.0169 79 HPO3-2 0.18445E-19 -19.7341 0.16661E-19 -19.7783 0.90329E+00 -0.0442 82 H3PO4,aq 0.84654E-12 -12.0724 0.84654E-12 -12.0724 0.10000E+01 0.0000 83 H2PO4- 0.87479E-08 -8.0581 0.84145E-08 -8.0750 0.96189E+00 -0.0169 84 PO4-3 0.64929E-14 -14.1876 0.52853E-14 -14.2769 0.81401E+00 -0.0894 87 H2P2O7-2 0.61461E-17 -17.2114 0.55517E-17 -17.2556 0.90329E+00 -0.0442 88 HP2O7-3 0.51367E-17 -17.2893 0.41776E-17 -17.3791 0.81328E+00 -0.0898 90 H2S,aq 0.22112E-07 -7.6554 0.22110E-07 -7.6554 0.99992E+00 0.0000 91 S2-2 0.57325E-17 -17.2417 0.51781E-17 -17.2858 0.90329E+00 -0.0442 96 SO2,aq 0.22388E-16 -16.6500 0.22388E-16 -16.6500 0.10000E+01 0.0000 97 SO3-2 0.10239E-13 -13.9897 0.92516E-14 -14.0338 0.90353E+00 -0.0441 98 HSO3- 0.15981E-12 -12.7964 0.15371E-12 -12.8133 0.96188E+00 -0.0169 99 HSO4- 0.60854E-08 -8.2157 0.58537E-08 -8.2326 0.96192E+00 -0.0169 101 S2O3-2 0.65817E-14 -14.1817 0.59452E-14 -14.2258 0.90329E+00 -0.0442 102 HS2O3- 0.29326E-18 -18.5327 0.28208E-18 -18.5496 0.96188E+00 -0.0169 Charge balance for all species = 0.7000E-15 Component Molality Aq.molality ppm log[A(N)/A(H+)**Z] (total) 1 H+ 0.2758447E-06 0.1766445E-05 0.1780449E-02 0.0000 2 H2O 0.1000000E+01 0.5550825E+02 0.9999856E+06 0.0000 3 Cl- 0.1379637E-03 0.1379743E-03 0.4891542E+01 2.6991 4 SO4-- 0.2534012E-04 0.2545359E-04 0.2445083E+01 8.5120 5 HCO3- 0.8452617E-05 0.1307001E-04 0.7974856E+00 1.4863 6 HS- 0.2802830E-07 0.5089203E-07 0.1683081E-02 -0.9931 7 Al+++ 0.1717711E-16 0.1959585E-06 0.5287191E-02 2.8737 8 H4SiO4 0.1867451E-04 0.1874302E-04 0.1801471E+01 -4.7288 9 Ca++ 0.1642234E-04 0.1654133E-04 0.6629352E+00 8.3236 10 Mg++ 0.1426025E-05 0.1428572E-05 0.3473103E-01 7.2622 11 Fe++ 0.4274606E-06 0.4772067E-06 0.2665024E-01 6.7390 12 K+ 0.3820287E-06 0.3821658E-06 0.1494327E-01 0.1414 13 Na+ 0.1623232E-03 0.1623305E-03 0.3731901E+01 2.7697 14 Mn++ 0.3067427E-07 0.3120949E-07 0.1714566E-02 5.5949 15 HPO4-- 0.1902917E-08 0.1065164E-07 0.1022322E-02 4.3876 Component Tot moles Aq. moles Solid moles Gas moles 1 H+ -.1676533E-04 0.1766444E-05 -.1853177E-04 0.0000000E+00 2 H2O 0.5550823E+02 0.5550822E+02 0.1215296E-04 0.0000000E+00 3 Cl- 0.1379742E-03 0.1379742E-03 0.0000000E+00 0.0000000E+00 4 SO4-- 0.2555435E-04 0.2545358E-04 0.1007761E-06 0.0000000E+00 5 HCO3- 0.1307000E-04 0.1307000E-04 0.0000000E+00 0.0000000E+00 6 HS- -.4988414E-07 0.5089200E-07 -.1007761E-06 0.0000000E+00 7 Al+++ 0.5869335E-05 0.1959584E-06 0.5673376E-05 0.0000000E+00 8 H4SiO4 0.1874301E-04 0.1874301E-04 0.0000000E+00 0.0000000E+00 9 Ca++ 0.1654132E-04 0.1654132E-04 0.0000000E+00 0.0000000E+00 10 Mg++ 0.1428571E-05 0.1428571E-05 0.0000000E+00 0.0000000E+00 11 Fe++ 0.1283415E-05 0.4772064E-06 0.8062091E-06 0.0000000E+00 12 K+ 0.3821656E-06 0.3821656E-06 0.0000000E+00 0.0000000E+00 13 Na+ 0.1623304E-03 0.1623304E-03 0.0000000E+00 0.0000000E+00 14 Mn++ 0.3120947E-07 0.3120947E-07 0.0000000E+00 0.0000000E+00 15 HPO4-- 0.1065164E-07 0.1065164E-07 0.0000000E+00 0.0000000E+00 Chg. balance for solid moles: 0.8470E-21 Mass of aqueous solution: 0.100001E+04 g Temperature = 100.00 C Pressure = 50.00 bar Mixer frac. = 0.0018000 Log Log Vol Gas or mineral Moles Moles Grams Grams Wt.% (cm3) diaspore 0.5673E-05 -5.246 0.3403E-03 -3.468 84.09 0.1013E-03 hematite 0.4031E-06 -6.395 0.6438E-04 -4.191 15.91 0.1220E-04 Partial press. Fugacity coef Log fugacity Gas or Mineral Mole fraction or activity Activity coef Log activity diaspore 0.1000E+01 0.1000E+01 1.0000 0.000 hematite 0.1000E+01 0.1000E+01 1.0000 0.000 Solid products produced: Mass = 0.000405 g Volume = 0.000114 cm3 Porosity: 99.9887% V(tot) - V(min): 0.10006E+01 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: 0.0018000 g log = -2.7447 Original solution: 1000.0102895 g Original solution / Rock added: 555561.27 (Water/Rock Ratio), log = 5.7447 Gas composition at saturation ( 2 iterations) ------------------------------------------------- Temperature: 100.0000 deg.C Sat. pressure: 1.0208 bar Gas Mole fraction phi Fugacity Partial P(bar) H2O,gas 0.9995E+00 0.9859 0.1006E+01 0.1020E+01 CO2,gas 0.4798E-03 1.0071 0.4932E-03 0.4898E-03 CH4,gas 0.1325E-10 1.0125 0.1369E-10 0.1352E-10 H2,gas 0.3998E-05 1.0005 0.4083E-05 0.4081E-05 H2S,gas 0.5978E-06 0.9960 0.6078E-06 0.6102E-06 S2,gas 0.8147E-21 1.0000 0.8316E-21 0.8316E-21 CO,gas 0.5258E-12 1.0000 0.5368E-12 0.5368E-12 SO3,gas 0.5970E-33 1.0000 0.6094E-33 0.6094E-33 SO2,gas 0.9484E-16 1.0000 0.9682E-16 0.9682E-16 HCl,gas 0.1115E-13 1.0000 0.1139E-13 0.1139E-13 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 65 diaspore 2.87 2.87 0.00 0.000 0.30331E-11 90 hematite 12.57 12.57 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 -1.696 0.28965E+04 0.003 2 CO2,gas -6.66 -11.67 -5.01 -1.669 0.85475E+04 -3.307 3 CH4,gas 4.54 -8.02 -12.56 -3.141 0.21450E+05 -10.864 4 H2,gas 8.00 0.91 -7.09 -4.050 0.12102E+05 -5.389 5 H2S,gas -6.23 -14.15 -7.92 -3.958 0.13515E+05 -6.216 6 S2,gas -7.34 -30.11 -22.78 -3.504 0.38895E+05 -21.080 7 CO,gas 3.21 -10.75 -13.97 -4.298 0.23852E+05 -12.270 8 SO3,gas 17.12 -17.79 -34.91 -8.729 0.59615E+05 -33.215 9 SO2,gas 0.83 -16.88 -17.71 -4.723 0.30245E+05 -16.014 10 HCl,gas 5.19 -10.45 -15.64 -7.821 0.26709E+05 -13.944 21 andalusite 5.00 1.02 -3.98 -0.398 0.68007E+04 24 anhydrite -5.32 -9.47 -4.15 -2.076 0.70900E+04 35 aragonite 0.97 -3.34 -4.31 -1.436 0.73575E+04 37 calcite 0.81 -3.34 -4.15 -1.385 0.70933E+04 41 carpholite-Fe 6.71 3.03 -3.68 -0.246 0.62899E+04 47 daphnite 28.97 25.26 -3.71 -0.116 0.63332E+04 50 chloritoid-Mg 13.20 8.28 -4.92 -0.328 0.83954E+04 51 chloritoid-Fe 9.17 7.76 -1.42 -0.094 0.24178E+04 52 chloritoid-Mn 11.40 6.61 -4.79 -0.319 0.81746E+04 54 coesite -2.38 -4.73 -2.35 -0.784 0.40172E+04 59 corundum 8.38 5.75 -2.64 -0.240 0.45004E+04 61 cristobalite -2.56 -4.73 -2.17 -0.723 0.37025E+04 83 gibbsite 4.08 2.87 -1.21 -0.172 0.20585E+04 92 hercynite 17.28 12.49 -4.79 -0.319 0.81825E+04 98 kaolinite -1.33 -3.71 -2.38 -0.216 0.40592E+04 99 kyanite 4.88 1.02 -3.86 -0.386 0.65866E+04 107 magnetite 20.09 19.31 -0.78 -0.064 0.13356E+04 128 periclase-Fe 11.63 6.74 -4.89 -1.222 0.83454E+04 142 pyrite -21.25 -22.46 -1.22 -0.286 0.20776E+04 143 pyrrhotite -4.26 -7.41 -3.15 -1.049 0.53719E+04 144 pyrrhotiteFe0.875 -6.02 -8.36 -2.34 -0.862 0.40039E+04 147 quartz -2.99 -4.73 -1.74 -0.580 0.29698E+04 155 siderite -2.61 -4.93 -2.32 -0.773 0.39595E+04 156 sillimanite 5.26 1.02 -4.24 -0.424 0.72446E+04 177 topaz-H 4.62 1.02 -3.60 -0.327 0.61466E+04 178 tridymite -2.63 -4.73 -2.10 -0.701 0.35898E+04 181 troilite-low -4.41 -7.41 -3.00 -0.999 0.51147E+04 192 akaganeite 7.75 6.28 -1.47 -0.318 0.25125E+04 199 chalcedony -2.80 -4.73 -1.93 -0.642 0.32891E+04 214 gypsum -4.96 -9.47 -4.51 -1.129 0.77076E+04 233 boehmite 4.41 2.87 -1.53 -0.255 0.26169E+04 235 ferrous-oxide 9.81 6.74 -3.07 -0.768 0.52464E+04 240 silica-amorphous -2.09 -4.73 -2.64 -0.879 0.45033E+04 Calculations done for 100.0000 Deg. C; 50.0000 bar Next reactant titration increment of: 0.0001000 g Current total amount of reactant added: 0.0018000 g New total amount of reactant added: 0.0019000 g Solids and gases carried Charge balance check after fractionation or titration: TBAL = 0.7000E-15 ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ 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 = 0.0019000 Water: Moles liquid = 0.5551E+02 kg liquid = 0.1000E+01 Moles total = 0.5551E+02 kg total = 0.1000E+01 Activity = 1.0000 Stoichiometric ionic strength = .2460872E-03 Osmotic coef. = 0.9905 True ionic strength = .2438663E-03 Chg. balance for total moles = 0.7000E-15 Max. difference allowed = 0.1380E-07 Log Log Log Species(n) Molality Molality Activity Activity Gamma Gamma 1 H+ 0.25516E-06 -6.5932 0.24545E-06 -6.6100 0.96196E+00 -0.0168 2 H2O 0.10000E+01 0.0000 0.10000E+01 0.0000 3 Cl- 0.13796E-03 -3.8602 0.13270E-03 -3.8771 0.96185E+00 -0.0169 4 SO4-- 0.25328E-04 -4.5964 0.22877E-04 -4.6406 0.90324E+00 -0.0442 5 HCO3- 0.86822E-05 -5.0614 0.83512E-05 -5.0783 0.96188E+00 -0.0169 6 HS- 0.35979E-07 -7.4440 0.34606E-07 -7.4608 0.96186E+00 -0.0169 7 Al+++ 0.13597E-16 -16.8665 0.11056E-16 -16.9564 0.81310E+00 -0.0899 8 H4SiO4 0.19706E-04 -4.7054 0.19706E-04 -4.7054 0.10000E+01 0.0000 9 Ca++ 0.16536E-04 -4.7816 0.14934E-04 -4.8258 0.90312E+00 -0.0443 10 Mg++ 0.15051E-05 -5.8224 0.13591E-05 -5.8667 0.90305E+00 -0.0443 11 Fe++ 0.38110E-06 -6.4190 0.34415E-06 -6.4632 0.90307E+00 -0.0443 12 K+ 0.40325E-06 -6.3944 0.38788E-06 -6.4113 0.96188E+00 -0.0169 13 Na+ 0.16245E-03 -3.7893 0.15625E-03 -3.8062 0.96185E+00 -0.0169 14 Mn++ 0.32351E-07 -7.4901 0.29215E-07 -7.5344 0.90308E+00 -0.0443 15 HPO4-- 0.21406E-08 -8.6695 0.19335E-08 -8.7137 0.90324E+00 -0.0442 16 HSiO3- 0.77938E-07 -7.1083 0.74965E-07 -7.1251 0.96185E+00 -0.0169 17 Ca(HSiO3)+ 0.26506E-10 -10.5767 0.25496E-10 -10.5935 0.96189E+00 -0.0169 18 Mg(HSiO3)+ 0.30022E-11 -11.5226 0.28878E-11 -11.5394 0.96189E+00 -0.0169 19 NaHSiO3,aq 0.18945E-09 -9.7225 0.18945E-09 -9.7225 0.10000E+01 0.0000 20 AlO+ 0.25955E-10 -10.5858 0.24966E-10 -10.6027 0.96189E+00 -0.0169 21 AlOH+2 0.33787E-13 -13.4712 0.30513E-13 -13.5155 0.90310E+00 -0.0443 22 HAlO2,aq 0.20256E-07 -7.6935 0.20256E-07 -7.6935 0.10000E+01 0.0000 23 AlO2- 0.18992E-06 -6.7214 0.18267E-06 -6.7383 0.96182E+00 -0.0169 24 CH4,aq 0.12272E-13 -13.9111 0.12271E-13 -13.9111 0.99992E+00 0.0000 29 CO,aq 0.37148E-15 -15.4301 0.37148E-15 -15.4301 0.10000E+01 0.0000 30 CO2,aq 0.43803E-05 -5.3585 0.43800E-05 -5.3585 0.99992E+00 0.0000 31 CO3-2 0.32903E-08 -8.4828 0.29718E-08 -8.5270 0.90321E+00 -0.0442 32 CaCO3,aq 0.55650E-09 -9.2545 0.55650E-09 -9.2545 0.10000E+01 0.0000 33 Ca(HCO3)+ 0.33097E-08 -8.4802 0.31836E-08 -8.4971 0.96189E+00 -0.0169 34 CaCl+ 0.33342E-08 -8.4770 0.32071E-08 -8.4939 0.96189E+00 -0.0169 35 CaCl2,aq 0.10111E-12 -12.9952 0.10111E-12 -12.9952 0.10000E+01 0.0000 36 CaOH+ 0.45081E-08 -8.3460 0.43362E-08 -8.3629 0.96189E+00 -0.0169 37 CaSO4,aq 0.10849E-06 -6.9646 0.10849E-06 -6.9646 0.10000E+01 0.0000 38 HCl,aq 0.59687E-11 -11.2241 0.59687E-11 -11.2241 0.10000E+01 0.0000 43 FeCl+ 0.75152E-10 -10.1241 0.72287E-10 -10.1409 0.96189E+00 -0.0169 44 FeCl2,aq 0.30370E-18 -18.5176 0.30370E-18 -18.5176 0.10000E+01 0.0000 46 FeO,aq 0.22201E-09 -9.6536 0.22201E-09 -9.6536 0.10000E+01 0.0000 47 FeOH+ 0.47449E-07 -7.3238 0.45640E-07 -7.3407 0.96189E+00 -0.0169 48 HFeO2- 0.98392E-11 -11.0070 0.94639E-11 -11.0239 0.96185E+00 -0.0169 49 FeO+ 0.19478E-11 -11.7105 0.18735E-11 -11.7273 0.96189E+00 -0.0169 50 FeOH+2 0.97244E-16 -16.0121 0.87820E-16 -16.0564 0.90310E+00 -0.0443 51 FeO2- 0.66155E-11 -11.1794 0.63631E-11 -11.1963 0.96185E+00 -0.0169 52 HFeO2,aq 0.19864E-09 -9.7019 0.19864E-09 -9.7019 0.10000E+01 0.0000 53 H2,aq 0.33765E-08 -8.4715 0.33762E-08 -8.4716 0.99992E+00 0.0000 54 KCl,aq 0.93289E-12 -12.0302 0.93289E-12 -12.0302 0.10000E+01 0.0000 55 KHSO4,aq 0.61582E-17 -17.2105 0.61582E-17 -17.2105 0.10000E+01 0.0000 56 KOH,aq 0.67486E-12 -12.1708 0.67486E-12 -12.1708 0.10000E+01 0.0000 57 KSO4- 0.14316E-09 -9.8442 0.13770E-09 -9.8611 0.96185E+00 -0.0169 58 MgCO3,aq 0.12695E-10 -10.8964 0.12695E-10 -10.8964 0.10000E+01 0.0000 59 Mg(HCO3)+ 0.30779E-09 -9.5118 0.29605E-09 -9.5286 0.96189E+00 -0.0169 60 MgCl+ 0.27502E-09 -9.5606 0.26454E-09 -9.5775 0.96189E+00 -0.0169 61 MgOH+ 0.22703E-08 -8.6439 0.21837E-08 -8.6608 0.96189E+00 -0.0169 63 MnO,aq 0.50219E-12 -12.2991 0.50219E-12 -12.2991 0.10000E+01 0.0000 64 MnOH+ 0.37418E-09 -9.4269 0.35992E-09 -9.4438 0.96189E+00 -0.0169 66 HMnO2- 0.15466E-16 -16.8106 0.14876E-16 -16.8275 0.96185E+00 -0.0169 69 MnCl+ 0.24820E-10 -10.6052 0.23874E-10 -10.6221 0.96189E+00 -0.0169 70 MnSO4,aq 0.19295E-09 -9.7146 0.19295E-09 -9.7146 0.10000E+01 0.0000 71 NaCl,aq 0.68715E-08 -8.1629 0.68715E-08 -8.1629 0.10000E+01 0.0000 72 NaOH,aq 0.27351E-09 -9.5630 0.27351E-09 -9.5630 0.10000E+01 0.0000 74 OH- 0.24473E-05 -5.6113 0.23539E-05 -5.6282 0.96182E+00 -0.0169 79 HPO3-2 0.22523E-19 -19.6474 0.20343E-19 -19.6916 0.90321E+00 -0.0442 81 H2PO3- 0.10410E-19 -19.9825 0.10013E-19 -19.9994 0.96185E+00 -0.0169 82 H3PO4,aq 0.81472E-12 -12.0890 0.81472E-12 -12.0890 0.10000E+01 0.0000 83 H2PO4- 0.91019E-08 -8.0409 0.87549E-08 -8.0578 0.96187E+00 -0.0169 84 PO4-3 0.78972E-14 -14.1025 0.64270E-14 -14.1920 0.81383E+00 -0.0895 87 H2P2O7-2 0.66540E-17 -17.1769 0.60100E-17 -17.2211 0.90321E+00 -0.0442 88 HP2O7-3 0.60128E-17 -17.2209 0.48891E-17 -17.3108 0.81311E+00 -0.0899 90 H2S,aq 0.26255E-07 -7.5808 0.26253E-07 -7.5808 0.99992E+00 0.0000 91 S2-2 0.87022E-17 -17.0604 0.78599E-17 -17.1046 0.90321E+00 -0.0442 96 SO2,aq 0.20782E-16 -16.6823 0.20782E-16 -16.6823 0.10000E+01 0.0000 97 SO3-2 0.11110E-13 -13.9543 0.10037E-13 -13.9984 0.90345E+00 -0.0441 98 HSO3- 0.16037E-12 -12.7949 0.15425E-12 -12.8118 0.96185E+00 -0.0169 99 HSO4- 0.56259E-08 -8.2498 0.54115E-08 -8.2667 0.96190E+00 -0.0169 101 S2O3-2 0.78110E-14 -14.1073 0.70550E-14 -14.1515 0.90321E+00 -0.0442 102 HS2O3- 0.32191E-18 -18.4923 0.30963E-18 -18.5092 0.96185E+00 -0.0169 Charge balance for all species = 0.7000E-15 Component Molality Aq.molality ppm log[A(N)/A(H+)**Z] (total) 1 H+ 0.2551606E-06 0.1270040E-05 0.1280108E-02 0.0000 2 H2O 0.1000000E+01 0.5550825E+02 0.9999855E+06 0.0000 3 Cl- 0.1379637E-03 0.1379743E-03 0.4891542E+01 2.7329 4 SO4-- 0.2532780E-04 0.2544143E-04 0.2443915E+01 8.5795 5 HCO3- 0.8682185E-05 0.1307001E-04 0.7974855E+00 1.5318 6 HS- 0.3597889E-07 0.6305182E-07 0.2085224E-02 -0.8508 7 Al+++ 0.1359748E-16 0.2102061E-06 0.5671605E-02 2.8737 8 H4SiO4 0.1970614E-04 0.1978430E-04 0.1901553E+01 -4.7054 9 Ca++ 0.1653612E-04 0.1665634E-04 0.6675447E+00 8.3942 10 Mg++ 0.1505069E-05 0.1507937E-05 0.3666053E-01 7.3533 11 Fe++ 0.3810956E-06 0.4290586E-06 0.2396134E-01 6.7568 12 K+ 0.4032525E-06 0.4033973E-06 0.1577345E-01 0.1987 13 Na+ 0.1624487E-03 0.1624561E-03 0.3734787E+01 2.8039 14 Mn++ 0.3235090E-07 0.3294335E-07 0.1809820E-02 5.6857 15 HPO4-- 0.2140637E-08 0.1124340E-07 0.1079117E-02 4.5064 Component Tot moles Aq. moles Solid moles Gas moles 1 H+ -.1842118E-04 0.1270039E-05 -.1969122E-04 0.0000000E+00 2 H2O 0.5550823E+02 0.5550821E+02 0.1289606E-04 0.0000000E+00 3 Cl- 0.1379742E-03 0.1379742E-03 0.0000000E+00 0.0000000E+00 4 SO4-- 0.2555713E-04 0.2544142E-04 0.1157073E-06 0.0000000E+00 5 HCO3- 0.1307000E-04 0.1307000E-04 0.0000000E+00 0.0000000E+00 6 HS- -.5265548E-07 0.6305178E-07 -.1157073E-06 0.0000000E+00 7 Al+++ 0.6195409E-05 0.2102059E-06 0.5985203E-05 0.0000000E+00 8 H4SiO4 0.1978429E-04 0.1978429E-04 0.0000000E+00 0.0000000E+00 9 Ca++ 0.1665633E-04 0.1665633E-04 0.0000000E+00 0.0000000E+00 10 Mg++ 0.1507937E-05 0.1507937E-05 0.0000000E+00 0.0000000E+00 11 Fe++ 0.1354716E-05 0.4290583E-06 0.9256580E-06 0.0000000E+00 12 K+ 0.4033970E-06 0.4033970E-06 0.0000000E+00 0.0000000E+00 13 Na+ 0.1624560E-03 0.1624560E-03 0.0000000E+00 0.0000000E+00 14 Mn++ 0.3294333E-07 0.3294333E-07 0.0000000E+00 0.0000000E+00 15 HPO4-- 0.1124340E-07 0.1124340E-07 0.0000000E+00 0.0000000E+00 Chg. balance for solid moles: 0.3388E-20 Mass of aqueous solution: 0.100001E+04 g Temperature = 100.00 C Pressure = 50.00 bar Mixer frac. = 0.0019000 Log Log Vol Gas or mineral Moles Moles Grams Grams Wt.% (cm3) diaspore 0.5985E-05 -5.223 0.3591E-03 -3.445 82.93 0.1069E-03 hematite 0.4628E-06 -6.335 0.7391E-04 -4.131 17.07 0.1401E-04 Partial press. Fugacity coef Log fugacity Gas or Mineral Mole fraction or activity Activity coef Log activity diaspore 0.1000E+01 0.1000E+01 1.0000 0.000 hematite 0.1000E+01 0.1000E+01 1.0000 0.000 Solid products produced: Mass = 0.000433 g Volume = 0.000121 cm3 Porosity: 99.9879% V(tot) - V(min): 0.10006E+01 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: 0.0019000 g log = -2.7212 Original solution: 1000.0102895 g Original solution / Rock added: 526321.20 (Water/Rock Ratio), log = 5.7213 Gas composition at saturation ( 2 iterations) ------------------------------------------------- Temperature: 100.0000 deg.C Sat. pressure: 1.0208 bar Gas Mole fraction phi Fugacity Partial P(bar) H2O,gas 0.9995E+00 0.9859 0.1006E+01 0.1020E+01 CO2,gas 0.4558E-03 1.0071 0.4686E-03 0.4653E-03 CH4,gas 0.1748E-10 1.0125 0.1806E-10 0.1784E-10 H2,gas 0.4340E-05 1.0005 0.4433E-05 0.4430E-05 H2S,gas 0.7098E-06 0.9960 0.7217E-06 0.7245E-06 S2,gas 0.9747E-21 1.0000 0.9950E-21 0.9950E-21 CO,gas 0.5423E-12 1.0000 0.5536E-12 0.5536E-12 SO3,gas 0.5105E-33 1.0000 0.5211E-33 0.5211E-33 SO2,gas 0.8804E-16 1.0000 0.8987E-16 0.8987E-16 HCl,gas 0.1032E-13 1.0000 0.1053E-13 0.1053E-13 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 65 diaspore 2.87 2.87 0.00 0.000 0.30331E-11 90 hematite 12.57 12.57 0.00 0.000 -0.30331E-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 -1.696 0.28965E+04 0.003 2 CO2,gas -6.66 -11.69 -5.03 -1.676 0.85854E+04 -3.329 3 CH4,gas 4.54 -7.90 -12.44 -3.111 0.21245E+05 -10.743 4 H2,gas 8.00 0.95 -7.05 -4.030 0.12042E+05 -5.353 5 H2S,gas -6.23 -14.07 -7.84 -3.920 0.13388E+05 -6.142 6 S2,gas -7.34 -30.04 -22.70 -3.492 0.38762E+05 -21.002 7 CO,gas 3.21 -10.74 -13.96 -4.294 0.23829E+05 -12.257 8 SO3,gas 17.12 -17.86 -34.98 -8.746 0.59731E+05 -33.283 9 SO2,gas 0.83 -16.91 -17.75 -4.732 0.30300E+05 -16.046 10 HCl,gas 5.19 -10.49 -15.68 -7.838 0.26767E+05 -13.977 21 andalusite 5.00 1.04 -3.96 -0.396 0.67608E+04 24 anhydrite -5.32 -9.47 -4.15 -2.075 0.70854E+04 35 aragonite 0.97 -3.29 -4.26 -1.420 0.72748E+04 37 calcite 0.81 -3.29 -4.11 -1.369 0.70106E+04 40 carpholite-Mg 8.58 3.69 -4.89 -0.326 0.83532E+04 41 carpholite-Fe 6.71 3.09 -3.62 -0.241 0.61797E+04 47 daphnite 28.97 25.42 -3.55 -0.111 0.60615E+04 50 chloritoid-Mg 13.20 8.40 -4.80 -0.320 0.81999E+04 51 chloritoid-Fe 9.17 7.80 -1.37 -0.092 0.23475E+04 52 chloritoid-Mn 11.40 6.73 -4.67 -0.312 0.79797E+04 54 coesite -2.38 -4.71 -2.33 -0.776 0.39773E+04 59 corundum 8.38 5.75 -2.64 -0.240 0.45004E+04 61 cristobalite -2.56 -4.71 -2.15 -0.715 0.36626E+04 83 gibbsite 4.08 2.87 -1.21 -0.172 0.20585E+04 92 hercynite 17.28 12.50 -4.77 -0.318 0.81520E+04 98 kaolinite -1.33 -3.66 -2.33 -0.212 0.39795E+04 99 kyanite 4.88 1.04 -3.83 -0.383 0.65467E+04 102 lawsonite 9.62 4.73 -4.89 -0.326 0.83414E+04 107 magnetite 20.09 19.32 -0.76 -0.062 0.13052E+04 128 periclase-Fe 11.63 6.76 -4.87 -1.217 0.83150E+04 142 pyrite -21.25 -22.33 -1.09 -0.255 0.18534E+04 143 pyrrhotite -4.26 -7.31 -3.05 -1.018 0.52142E+04 144 pyrrhotiteFe0.875 -6.02 -8.28 -2.26 -0.831 0.38575E+04 147 quartz -2.99 -4.71 -1.72 -0.572 0.29300E+04 155 siderite -2.61 -4.93 -2.32 -0.774 0.39670E+04 156 sillimanite 5.26 1.04 -4.22 -0.422 0.72047E+04 177 topaz-H 4.62 1.04 -3.58 -0.325 0.61068E+04 178 tridymite -2.63 -4.71 -2.08 -0.693 0.35499E+04 181 troilite-low -4.41 -7.31 -2.90 -0.968 0.49570E+04 192 akaganeite 7.75 6.28 -1.47 -0.318 0.25125E+04 199 chalcedony -2.80 -4.71 -1.90 -0.634 0.32493E+04 214 gypsum -4.96 -9.47 -4.51 -1.128 0.77029E+04 233 boehmite 4.41 2.87 -1.53 -0.255 0.26169E+04 235 ferrous-oxide 9.81 6.76 -3.05 -0.764 0.52159E+04 240 silica-amorphous -2.09 -4.71 -2.61 -0.871 0.44634E+04 Calculations done for 100.0000 Deg. C; 50.0000 bar Next reactant titration increment of: 0.0001000 g Current total amount of reactant added: 0.0019000 g New total amount of reactant added: 0.0020000 g Solids and gases carried Charge balance check after fractionation or titration: TBAL = 0.7000E-15 ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ 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 = 0.0020000 Water: Moles liquid = 0.5551E+02 kg liquid = 0.1000E+01 Moles total = 0.5551E+02 kg total = 0.1000E+01 Activity = 1.0000 Stoichiometric ionic strength = .2465155E-03 Osmotic coef. = 0.9905 True ionic strength = .2444364E-03 Chg. balance for total moles = 0.7000E-15 Max. difference allowed = 0.1380E-07 Log Log Log Species(n) Molality Molality Activity Activity Gamma Gamma 1 H+ 0.23619E-06 -6.6267 0.22719E-06 -6.6436 0.96194E+00 -0.0169 2 H2O 0.10000E+01 0.0000 0.10000E+01 0.0000 3 Cl- 0.13796E-03 -3.8602 0.13270E-03 -3.8771 0.96183E+00 -0.0169 4 SO4-- 0.25316E-04 -4.5966 0.22864E-04 -4.6408 0.90315E+00 -0.0442 5 HCO3- 0.89040E-05 -5.0504 0.85643E-05 -5.0673 0.96185E+00 -0.0169 6 HS- 0.44117E-07 -7.3554 0.42433E-07 -7.3723 0.96183E+00 -0.0169 7 Al+++ 0.10785E-16 -16.9672 0.87678E-17 -17.0571 0.81293E+00 -0.0899 8 H4SiO4 0.20737E-04 -4.6833 0.20737E-04 -4.6833 0.10000E+01 0.0000 9 Ca++ 0.16650E-04 -4.7786 0.15035E-04 -4.8229 0.90304E+00 -0.0443 10 Mg++ 0.15841E-05 -5.8002 0.14304E-05 -5.8446 0.90296E+00 -0.0443 11 Fe++ 0.33824E-06 -6.4708 0.30543E-06 -6.5151 0.90298E+00 -0.0443 12 K+ 0.42448E-06 -6.3721 0.40829E-06 -6.3890 0.96186E+00 -0.0169 13 Na+ 0.16257E-03 -3.7889 0.15637E-03 -3.8059 0.96183E+00 -0.0169 14 Mn++ 0.34023E-07 -7.4682 0.30722E-07 -7.5125 0.90299E+00 -0.0443 15 HPO4-- 0.23979E-08 -8.6202 0.21656E-08 -8.6644 0.90316E+00 -0.0442 16 HSiO3- 0.88607E-07 -7.0525 0.85225E-07 -7.0694 0.96183E+00 -0.0169 17 Ca(HSiO3)+ 0.30339E-10 -10.5180 0.29182E-10 -10.5349 0.96186E+00 -0.0169 18 Mg(HSiO3)+ 0.35920E-11 -11.4447 0.34550E-11 -11.4616 0.96186E+00 -0.0169 19 NaHSiO3,aq 0.21554E-09 -9.6665 0.21554E-09 -9.6665 0.10000E+01 0.0000 20 AlO+ 0.24025E-10 -10.6193 0.23108E-10 -10.6362 0.96186E+00 -0.0169 21 AlOH+2 0.28950E-13 -13.5383 0.26142E-13 -13.5827 0.90301E+00 -0.0443 22 HAlO2,aq 0.20256E-07 -7.6935 0.20256E-07 -7.6935 0.10000E+01 0.0000 23 AlO2- 0.20519E-06 -6.6878 0.19735E-06 -6.7048 0.96180E+00 -0.0169 24 CH4,aq 0.15441E-13 -13.8113 0.15439E-13 -13.8114 0.99992E+00 0.0000 29 CO,aq 0.37836E-15 -15.4221 0.37836E-15 -15.4221 0.10000E+01 0.0000 30 CO2,aq 0.41580E-05 -5.3811 0.41577E-05 -5.3812 0.99992E+00 0.0000 31 CO3-2 0.36458E-08 -8.4382 0.32926E-08 -8.4825 0.90312E+00 -0.0443 32 CaCO3,aq 0.62075E-09 -9.2071 0.62075E-09 -9.2071 0.10000E+01 0.0000 33 Ca(HCO3)+ 0.34173E-08 -8.4663 0.32870E-08 -8.4832 0.96186E+00 -0.0169 34 CaCl+ 0.33568E-08 -8.4741 0.32288E-08 -8.4910 0.96186E+00 -0.0169 35 CaCl2,aq 0.10179E-12 -12.9923 0.10179E-12 -12.9923 0.10000E+01 0.0000 36 CaOH+ 0.49035E-08 -8.3095 0.47165E-08 -8.3264 0.96186E+00 -0.0169 37 CaSO4,aq 0.10916E-06 -6.9619 0.10916E-06 -6.9619 0.10000E+01 0.0000 38 HCl,aq 0.55245E-11 -11.2577 0.55245E-11 -11.2577 0.10000E+01 0.0000 43 FeCl+ 0.66695E-10 -10.1759 0.64151E-10 -10.1928 0.96186E+00 -0.0169 44 FeCl2,aq 0.26951E-18 -18.5694 0.26951E-18 -18.5694 0.10000E+01 0.0000 46 FeO,aq 0.22997E-09 -9.6383 0.22997E-09 -9.6383 0.10000E+01 0.0000 47 FeOH+ 0.45495E-07 -7.3420 0.43760E-07 -7.3589 0.96186E+00 -0.0169 48 HFeO2- 0.11011E-10 -10.9582 0.10591E-10 -10.9751 0.96183E+00 -0.0169 49 FeO+ 0.18029E-11 -11.7440 0.17342E-11 -11.7609 0.96186E+00 -0.0169 50 FeOH+2 0.83322E-16 -16.0792 0.75241E-16 -16.1235 0.90301E+00 -0.0443 51 FeO2- 0.71473E-11 -11.1459 0.68745E-11 -11.1628 0.96183E+00 -0.0169 52 HFeO2,aq 0.19864E-09 -9.7019 0.19864E-09 -9.7019 0.10000E+01 0.0000 53 H2,aq 0.36229E-08 -8.4409 0.36226E-08 -8.4410 0.99992E+00 0.0000 54 KCl,aq 0.98194E-12 -12.0079 0.98194E-12 -12.0079 0.10000E+01 0.0000 55 KHSO4,aq 0.59966E-17 -17.2221 0.59966E-17 -17.2221 0.10000E+01 0.0000 56 KOH,aq 0.76745E-12 -12.1149 0.76745E-12 -12.1149 0.10000E+01 0.0000 57 KSO4- 0.15061E-09 -9.8222 0.14486E-09 -9.8391 0.96183E+00 -0.0169 58 MgCO3,aq 0.14802E-10 -10.8297 0.14802E-10 -10.8297 0.10000E+01 0.0000 59 Mg(HCO3)+ 0.33219E-09 -9.4786 0.31952E-09 -9.4955 0.96186E+00 -0.0169 60 MgCl+ 0.28944E-09 -9.5384 0.27840E-09 -9.5553 0.96186E+00 -0.0169 61 MgOH+ 0.25813E-08 -8.5882 0.24829E-08 -8.6050 0.96186E+00 -0.0169 63 MnO,aq 0.61638E-12 -12.2102 0.61638E-12 -12.2102 0.10000E+01 0.0000 64 MnOH+ 0.42511E-09 -9.3715 0.40890E-09 -9.3884 0.96186E+00 -0.0169 66 HMnO2- 0.20508E-16 -16.6881 0.19726E-16 -16.7050 0.96183E+00 -0.0169 69 MnCl+ 0.26100E-10 -10.5834 0.25104E-10 -10.6003 0.96186E+00 -0.0169 70 MnSO4,aq 0.20279E-09 -9.6930 0.20279E-09 -9.6930 0.10000E+01 0.0000 71 NaCl,aq 0.68765E-08 -8.1626 0.68765E-08 -8.1626 0.10000E+01 0.0000 72 NaOH,aq 0.29571E-09 -9.5291 0.29571E-09 -9.5291 0.10000E+01 0.0000 74 OH- 0.26441E-05 -5.5777 0.25431E-05 -5.5946 0.96180E+00 -0.0169 79 HPO3-2 0.27071E-19 -19.5675 0.24448E-19 -19.6117 0.90312E+00 -0.0443 81 H2PO3- 0.11581E-19 -19.9363 0.11139E-19 -19.9532 0.96183E+00 -0.0169 82 H3PO4,aq 0.78182E-12 -12.1069 0.78182E-12 -12.1069 0.10000E+01 0.0000 83 H2PO4- 0.94365E-08 -8.0252 0.90765E-08 -8.0421 0.96185E+00 -0.0169 84 PO4-3 0.95582E-14 -14.0196 0.77771E-14 -14.1092 0.81366E+00 -0.0896 87 H2P2O7-2 0.71526E-17 -17.1455 0.64596E-17 -17.1898 0.90312E+00 -0.0443 88 HP2O7-3 0.69836E-17 -17.1559 0.56772E-17 -17.2459 0.81294E+00 -0.0899 90 H2S,aq 0.29797E-07 -7.5258 0.29795E-07 -7.5259 0.99992E+00 0.0000 91 S2-2 0.12195E-16 -16.9138 0.11013E-16 -16.9581 0.90312E+00 -0.0443 96 SO2,aq 0.19094E-16 -16.7191 0.19094E-16 -16.7191 0.10000E+01 0.0000 97 SO3-2 0.11915E-13 -13.9239 0.10763E-13 -13.9681 0.90336E+00 -0.0441 98 HSO3- 0.15919E-12 -12.7981 0.15311E-12 -12.8150 0.96183E+00 -0.0169 99 HSO4- 0.52045E-08 -8.2836 0.50061E-08 -8.3005 0.96188E+00 -0.0169 101 S2O3-2 0.88609E-14 -14.0525 0.80024E-14 -14.0968 0.90312E+00 -0.0443 102 HS2O3- 0.33798E-18 -18.4711 0.32508E-18 -18.4880 0.96183E+00 -0.0169 Charge balance for all species = 0.7000E-15 Component Molality Aq.molality ppm log[A(N)/A(H+)**Z] (total) 1 H+ 0.2361853E-06 0.7643109E-06 0.7703699E-03 0.0000 2 H2O 0.1000000E+01 0.5550825E+02 0.9999854E+06 0.0000 3 Cl- 0.1379637E-03 0.1379743E-03 0.4891541E+01 2.7665 4 SO4-- 0.2531585E-04 0.2542969E-04 0.2442787E+01 8.6464 5 HCO3- 0.8903993E-05 0.1307001E-04 0.7974855E+00 1.5763 6 HS- 0.4411656E-07 0.7479382E-07 0.2473551E-02 -0.7287 7 Al+++ 0.1078547E-16 0.2254726E-06 0.6083513E-02 2.8737 8 H4SiO4 0.2073672E-04 0.2082558E-04 0.2001634E+01 -4.6833 9 Ca++ 0.1664986E-04 0.1677136E-04 0.6721541E+00 8.4643 10 Mg++ 0.1584081E-05 0.1587303E-05 0.3859002E-01 7.4426 11 Fe++ 0.3382429E-06 0.3842528E-06 0.2145910E-01 6.7721 12 K+ 0.4244764E-06 0.4246287E-06 0.1660363E-01 0.2546 13 Na+ 0.1625742E-03 0.1625816E-03 0.3737672E+01 2.8378 14 Mn++ 0.3402260E-07 0.3467722E-07 0.1905073E-02 5.7747 15 HPO4-- 0.2397854E-08 0.1183516E-07 0.1135913E-02 4.6228 Component Tot moles Aq. moles Solid moles Gas moles 1 H+ -.2007703E-04 0.7643103E-06 -.2084134E-04 0.0000000E+00 2 H2O 0.5550823E+02 0.5550821E+02 0.1363379E-04 0.0000000E+00 3 Cl- 0.1379742E-03 0.1379742E-03 0.0000000E+00 0.0000000E+00 4 SO4-- 0.2555990E-04 0.2542968E-04 0.1302206E-06 0.0000000E+00 5 HCO3- 0.1307000E-04 0.1307000E-04 0.0000000E+00 0.0000000E+00 6 HS- -.5542682E-07 0.7479377E-07 -.1302206E-06 0.0000000E+00 7 Al+++ 0.6521483E-05 0.2254724E-06 0.6296011E-05 0.0000000E+00 8 H4SiO4 0.2082557E-04 0.2082557E-04 0.0000000E+00 0.0000000E+00 9 Ca++ 0.1677135E-04 0.1677135E-04 0.0000000E+00 0.0000000E+00 10 Mg++ 0.1587302E-05 0.1587302E-05 0.0000000E+00 0.0000000E+00 11 Fe++ 0.1426017E-05 0.3842525E-06 0.1041765E-05 0.0000000E+00 12 K+ 0.4246285E-06 0.4246285E-06 0.0000000E+00 0.0000000E+00 13 Na+ 0.1625815E-03 0.1625815E-03 0.0000000E+00 0.0000000E+00 14 Mn++ 0.3467719E-07 0.3467719E-07 0.0000000E+00 0.0000000E+00 15 HPO4-- 0.1183515E-07 0.1183515E-07 0.0000000E+00 0.0000000E+00 Chg. balance for solid moles: -.1271E-20 Mass of aqueous solution: 0.100001E+04 g Temperature = 100.00 C Pressure = 50.00 bar Mixer frac. = 0.0020000 Log Log Vol Gas or mineral Moles Moles Grams Grams Wt.% (cm3) diaspore 0.6296E-05 -5.201 0.3777E-03 -3.423 81.95 0.1124E-03 hematite 0.5209E-06 -6.283 0.8318E-04 -4.080 18.05 0.1577E-04 Partial press. Fugacity coef Log fugacity Gas or Mineral Mole fraction or activity Activity coef Log activity diaspore 0.1000E+01 0.1000E+01 1.0000 0.000 hematite 0.1000E+01 0.1000E+01 1.0000 0.000 Solid products produced: Mass = 0.000461 g Volume = 0.000128 cm3 Porosity: 99.9872% V(tot) - V(min): 0.10007E+01 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: 0.0020000 g log = -2.6990 Original solution: 1000.0102895 g Original solution / Rock added: 500005.14 (Water/Rock Ratio), log = 5.6990 Gas composition at saturation ( 2 iterations) ------------------------------------------------- Temperature: 100.0000 deg.C Sat. pressure: 1.0207 bar Gas Mole fraction phi Fugacity Partial P(bar) H2O,gas 0.9996E+00 0.9859 0.1006E+01 0.1020E+01 CO2,gas 0.4327E-03 1.0071 0.4448E-03 0.4417E-03 CH4,gas 0.2199E-10 1.0125 0.2273E-10 0.2244E-10 H2,gas 0.4657E-05 1.0005 0.4756E-05 0.4753E-05 H2S,gas 0.8056E-06 0.9960 0.8190E-06 0.8223E-06 S2,gas 0.1091E-20 1.0000 0.1113E-20 0.1113E-20 CO,gas 0.5524E-12 1.0000 0.5638E-12 0.5638E-12 SO3,gas 0.4372E-33 1.0000 0.4462E-33 0.4462E-33 SO2,gas 0.8089E-16 1.0000 0.8257E-16 0.8257E-16 HCl,gas 0.9550E-14 1.0000 0.9748E-14 0.9748E-14 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 65 diaspore 2.87 2.87 0.00 0.000 0.90992E-11 90 hematite 12.57 12.57 0.00 0.000 0.00000E+00 The following gases and minerals are presently EXCLUDED from matrix (Gases and minerals with log(Q/K) less than -5 are not listed below) Gas or Mineral Log K Log Q Log(Q/K) Log(Q/K)/S Affinity Log Fugacity 1 H2O,gas 1.70 0.00 -1.70 -1.696 0.28965E+04 0.003 2 CO2,gas -6.66 -11.71 -5.05 -1.684 0.86241E+04 -3.352 3 CH4,gas 4.54 -7.80 -12.34 -3.086 0.21074E+05 -10.643 4 H2,gas 8.00 0.98 -7.02 -4.012 0.11989E+05 -5.323 5 H2S,gas -6.23 -14.02 -7.79 -3.893 0.13294E+05 -6.087 6 S2,gas -7.34 -29.99 -22.65 -3.485 0.38678E+05 -20.953 7 CO,gas 3.21 -10.73 -13.95 -4.292 0.23816E+05 -12.249 8 SO3,gas 17.12 -17.93 -35.05 -8.762 0.59846E+05 -33.350 9 SO2,gas 0.83 -16.95 -17.78 -4.742 0.30363E+05 -16.083 10 HCl,gas 5.19 -10.52 -15.71 -7.855 0.26824E+05 -14.011 21 andalusite 5.00 1.06 -3.94 -0.394 0.67230E+04 24 anhydrite -5.32 -9.46 -4.15 -2.073 0.70808E+04 35 aragonite 0.97 -3.25 -4.21 -1.404 0.71938E+04 37 calcite 0.81 -3.25 -4.06 -1.353 0.69295E+04 40 carpholite-Mg 8.58 3.82 -4.76 -0.317 0.81251E+04 41 carpholite-Fe 6.71 3.15 -3.56 -0.237 0.60780E+04 47 daphnite 28.97 25.56 -3.41 -0.106 0.58175E+04 50 chloritoid-Mg 13.20 8.51 -4.69 -0.313 0.80096E+04 51 chloritoid-Fe 9.17 7.84 -1.34 -0.089 0.22835E+04 52 chloritoid-Mn 11.40 6.84 -4.56 -0.304 0.77900E+04 54 coesite -2.38 -4.68 -2.31 -0.769 0.39395E+04 59 corundum 8.38 5.75 -2.64 -0.240 0.45004E+04 61 cristobalite -2.56 -4.68 -2.12 -0.708 0.36248E+04 83 gibbsite 4.08 2.87 -1.21 -0.172 0.20585E+04 92 hercynite 17.28 12.52 -4.76 -0.317 0.81259E+04 98 kaolinite -1.33 -3.62 -2.29 -0.208 0.39039E+04 99 kyanite 4.88 1.06 -3.81 -0.381 0.65089E+04 102 lawsonite 9.62 4.85 -4.77 -0.318 0.81461E+04 106 magnesite 0.69 -4.27 -4.96 -1.653 0.84671E+04 107 magnetite 20.09 19.34 -0.75 -0.061 0.12791E+04 128 periclase-Fe 11.63 6.77 -4.85 -1.214 0.82889E+04 142 pyrite -21.25 -22.24 -0.99 -0.233 0.16918E+04 143 pyrrhotite -4.26 -7.24 -2.98 -0.994 0.50942E+04 144 pyrrhotiteFe0.875 -6.02 -8.21 -2.19 -0.807 0.37473E+04 147 quartz -2.99 -4.68 -1.69 -0.565 0.28922E+04 151 rhodochrosite -0.98 -5.94 -4.96 -1.653 0.84689E+04 155 siderite -2.61 -4.94 -2.33 -0.777 0.39795E+04 156 sillimanite 5.26 1.06 -4.20 -0.420 0.71669E+04 177 topaz-H 4.62 1.06 -3.55 -0.323 0.60690E+04 178 tridymite -2.63 -4.68 -2.06 -0.686 0.35121E+04 181 troilite-low -4.41 -7.24 -2.83 -0.944 0.48370E+04 192 akaganeite 7.75 6.28 -1.47 -0.318 0.25125E+04 199 chalcedony -2.80 -4.68 -1.88 -0.627 0.32115E+04 214 gypsum -4.96 -9.46 -4.51 -1.127 0.76983E+04 233 boehmite 4.41 2.87 -1.53 -0.255 0.26169E+04 235 ferrous-oxide 9.81 6.77 -3.04 -0.760 0.51898E+04 240 silica-amorphous -2.09 -4.68 -2.59 -0.864 0.44256E+04 Calculations done for 100.0000 Deg. C; 50.0000 bar Next reactant titration increment of: 0.0001000 g Current total amount of reactant added: 0.0020000 g New total amount of reactant added: 0.0021000 g Solids and gases carried Charge balance check after fractionation or titration: TBAL = 0.7000E-15 ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ 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 = 0.0021000 Water: Moles liquid = 0.5551E+02 kg liquid = 0.1000E+01 Moles total = 0.5551E+02 kg total = 0.1000E+01 Activity = 1.0000 Stoichiometric ionic strength = .2469572E-03 Osmotic coef. = 0.9905 True ionic strength = .2450202E-03 Chg. balance for total moles = 0.7000E-15 Max. difference allowed = 0.1380E-07 Log Log Log Species(n) Molality Molality Activity Activity Gamma Gamma 1 H+ 0.21876E-06 -6.6600 0.21043E-06 -6.6769 0.96191E+00 -0.0169 2 H2O 0.10000E+01 0.0000 0.10000E+01 0.0000 3 Cl- 0.13796E-03 -3.8602 0.13269E-03 -3.8771 0.96181E+00 -0.0169 4 SO4-- 0.25304E-04 -4.5968 0.22851E-04 -4.6411 0.90307E+00 -0.0443 5 HCO3- 0.91178E-05 -5.0401 0.87698E-05 -5.0570 0.96183E+00 -0.0169 6 HS- 0.52358E-07 -7.2810 0.50358E-07 -7.2979 0.96181E+00 -0.0169 7 Al+++ 0.85717E-17 -17.0669 0.69667E-17 -17.1570 0.81275E+00 -0.0900 8 H4SiO4 0.21766E-04 -4.6622 0.21766E-04 -4.6622 0.10000E+01 0.0000 9 Ca++ 0.16764E-04 -4.7756 0.15137E-04 -4.8200 0.90295E+00 -0.0443 10 Mg++ 0.16631E-05 -5.7791 0.15015E-05 -5.8235 0.90287E+00 -0.0444 11 Fe++ 0.29935E-06 -6.5238 0.27028E-06 -6.5682 0.90289E+00 -0.0444 12 K+ 0.44570E-06 -6.3510 0.42869E-06 -6.3679 0.96184E+00 -0.0169 13 Na+ 0.16270E-03 -3.7886 0.15649E-03 -3.8055 0.96180E+00 -0.0169 14 Mn++ 0.35689E-07 -7.4475 0.32224E-07 -7.4918 0.90290E+00 -0.0444 15 HPO4-- 0.26753E-08 -8.5726 0.24160E-08 -8.6169 0.90307E+00 -0.0443 16 HSiO3- 0.10042E-06 -6.9982 0.96582E-07 -7.0151 0.96181E+00 -0.0169 17 Ca(HSiO3)+ 0.34615E-10 -10.4607 0.33294E-10 -10.4776 0.96184E+00 -0.0169 18 Mg(HSiO3)+ 0.42733E-11 -11.3692 0.41102E-11 -11.3861 0.96184E+00 -0.0169 19 NaHSiO3,aq 0.24444E-09 -9.6118 0.24444E-09 -9.6118 0.10000E+01 0.0000 20 AlO+ 0.22253E-10 -10.6526 0.21403E-10 -10.6695 0.96184E+00 -0.0169 21 AlOH+2 0.24838E-13 -13.6049 0.22427E-13 -13.6492 0.90292E+00 -0.0444 22 HAlO2,aq 0.20256E-07 -7.6935 0.20256E-07 -7.6935 0.10000E+01 0.0000 23 AlO2- 0.22154E-06 -6.6545 0.21308E-06 -6.6715 0.96177E+00 -0.0169 24 CH4,aq 0.18775E-13 -13.7264 0.18773E-13 -13.7265 0.99992E+00 0.0000 29 CO,aq 0.38184E-15 -15.4181 0.38184E-15 -15.4181 0.10000E+01 0.0000 30 CO2,aq 0.39436E-05 -5.4041 0.39433E-05 -5.4041 0.99992E+00 0.0000 31 CO3-2 0.40311E-08 -8.3946 0.36402E-08 -8.4389 0.90303E+00 -0.0443 32 CaCO3,aq 0.69089E-09 -9.1606 0.69089E-09 -9.1606 0.10000E+01 0.0000 33 Ca(HCO3)+ 0.35229E-08 -8.4531 0.33885E-08 -8.4700 0.96184E+00 -0.0169 34 CaCl+ 0.33794E-08 -8.4712 0.32505E-08 -8.4881 0.96184E+00 -0.0169 35 CaCl2,aq 0.10247E-12 -12.9894 0.10247E-12 -12.9894 0.10000E+01 0.0000 36 CaOH+ 0.53299E-08 -8.2733 0.51265E-08 -8.2902 0.96184E+00 -0.0169 37 CaSO4,aq 0.10984E-06 -6.9592 0.10984E-06 -6.9592 0.10000E+01 0.0000 38 HCl,aq 0.51168E-11 -11.2910 0.51168E-11 -11.2910 0.10000E+01 0.0000 43 FeCl+ 0.59020E-10 -10.2290 0.56768E-10 -10.2459 0.96184E+00 -0.0169 44 FeCl2,aq 0.23849E-18 -18.6225 0.23849E-18 -18.6225 0.10000E+01 0.0000 46 FeO,aq 0.23723E-09 -9.6248 0.23723E-09 -9.6248 0.10000E+01 0.0000 47 FeOH+ 0.43468E-07 -7.3618 0.41809E-07 -7.3787 0.96184E+00 -0.0169 48 HFeO2- 0.12264E-10 -10.9114 0.11795E-10 -10.9283 0.96181E+00 -0.0169 49 FeO+ 0.16699E-11 -11.7773 0.16062E-11 -11.7942 0.96184E+00 -0.0169 50 FeOH+2 0.71487E-16 -16.1458 0.64547E-16 -16.1901 0.90292E+00 -0.0444 51 FeO2- 0.77169E-11 -11.1126 0.74221E-11 -11.1295 0.96181E+00 -0.0169 52 HFeO2,aq 0.19864E-09 -9.7019 0.19864E-09 -9.7019 0.10000E+01 0.0000 53 H2,aq 0.38550E-08 -8.4140 0.38547E-08 -8.4140 0.99992E+00 0.0000 54 KCl,aq 0.10310E-11 -11.9867 0.10310E-11 -11.9867 0.10000E+01 0.0000 55 KHSO4,aq 0.58284E-17 -17.2344 0.58284E-17 -17.2344 0.10000E+01 0.0000 56 KOH,aq 0.87000E-12 -12.0605 0.87000E-12 -12.0605 0.10000E+01 0.0000 57 KSO4- 0.15805E-09 -9.8012 0.15201E-09 -9.8181 0.96181E+00 -0.0169 58 MgCO3,aq 0.17179E-10 -10.7650 0.17179E-10 -10.7650 0.10000E+01 0.0000 59 Mg(HCO3)+ 0.35709E-09 -9.4472 0.34346E-09 -9.4641 0.96184E+00 -0.0169 60 MgCl+ 0.30384E-09 -9.5174 0.29224E-09 -9.5343 0.96184E+00 -0.0169 61 MgOH+ 0.29257E-08 -8.5338 0.28140E-08 -8.5507 0.96184E+00 -0.0169 63 MnO,aq 0.75361E-12 -12.1229 0.75361E-12 -12.1229 0.10000E+01 0.0000 64 MnOH+ 0.48142E-09 -9.3175 0.46305E-09 -9.3344 0.96184E+00 -0.0169 66 HMnO2- 0.27073E-16 -16.5675 0.26039E-16 -16.5844 0.96181E+00 -0.0169 69 MnCl+ 0.27375E-10 -10.5626 0.26331E-10 -10.5795 0.96184E+00 -0.0169 70 MnSO4,aq 0.21258E-09 -9.6725 0.21258E-09 -9.6725 0.10000E+01 0.0000 71 NaCl,aq 0.68815E-08 -8.1623 0.68815E-08 -8.1623 0.10000E+01 0.0000 72 NaOH,aq 0.31950E-09 -9.4955 0.31950E-09 -9.4955 0.10000E+01 0.0000 74 OH- 0.28548E-05 -5.5444 0.27457E-05 -5.5614 0.96177E+00 -0.0169 79 HPO3-2 0.32139E-19 -19.4930 0.29022E-19 -19.5373 0.90303E+00 -0.0443 81 H2PO3- 0.12733E-19 -19.8951 0.12247E-19 -19.9120 0.96181E+00 -0.0169 82 H3PO4,aq 0.74823E-12 -12.1260 0.74823E-12 -12.1260 0.10000E+01 0.0000 83 H2PO4- 0.97508E-08 -8.0110 0.93786E-08 -8.0279 0.96182E+00 -0.0169 84 PO4-3 0.11515E-13 -13.9387 0.93674E-14 -14.0284 0.81348E+00 -0.0897 87 H2P2O7-2 0.76374E-17 -17.1171 0.68968E-17 -17.1614 0.90303E+00 -0.0443 88 HP2O7-3 0.80520E-17 -17.0941 0.65443E-17 -17.1841 0.81276E+00 -0.0900 89 P2O7-4 0.10588E-19 -19.9752 0.74296E-20 -20.1290 0.70172E+00 -0.1538 90 H2S,aq 0.32754E-07 -7.4847 0.32751E-07 -7.4848 0.99992E+00 0.0000 91 S2-2 0.16143E-16 -16.7920 0.14577E-16 -16.8363 0.90303E+00 -0.0443 96 SO2,aq 0.17420E-16 -16.7590 0.17420E-16 -16.7590 0.10000E+01 0.0000 97 SO3-2 0.12673E-13 -13.8971 0.11447E-13 -13.9413 0.90327E+00 -0.0442 98 HSO3- 0.15681E-12 -12.8046 0.15082E-12 -12.8215 0.96181E+00 -0.0169 99 HSO4- 0.48180E-08 -8.3171 0.46342E-08 -8.3340 0.96186E+00 -0.0169 101 S2O3-2 0.97356E-14 -14.0116 0.87915E-14 -14.0559 0.90303E+00 -0.0443 102 HS2O3- 0.34392E-18 -18.4635 0.33078E-18 -18.4805 0.96181E+00 -0.0169 Charge balance for all species = 0.7000E-15 Component Molality Aq.molality ppm log[A(N)/A(H+)**Z] (total) 1 H+ 0.2187634E-06 0.2480390E-06 0.2500053E-03 0.0000 2 H2O 0.1000000E+01 0.5550825E+02 0.9999853E+06 0.0000 3 Cl- 0.1379636E-03 0.1379743E-03 0.4891541E+01 2.7997 4 SO4-- 0.2530435E-04 0.2541844E-04 0.2441705E+01 8.7127 5 HCO3- 0.9117820E-05 0.1307001E-04 0.7974854E+00 1.6199 6 HS- 0.5235810E-07 0.8604971E-07 0.2845800E-02 -0.6210 7 Al+++ 0.8571729E-17 0.2418229E-06 0.6524662E-02 2.8737 8 H4SiO4 0.2176616E-04 0.2186686E-04 0.2101716E+01 -4.6622 9 Ca++ 0.1676358E-04 0.1688637E-04 0.6767635E+00 8.5338 10 Mg++ 0.1663060E-05 0.1666668E-05 0.4051952E-01 7.5303 11 Fe++ 0.2993514E-06 0.3433358E-06 0.1917404E-01 6.7856 12 K+ 0.4457002E-06 0.4458602E-06 0.1743381E-01 0.3090 13 Na+ 0.1626997E-03 0.1627071E-03 0.3740558E+01 2.8714 14 Mn++ 0.3568894E-07 0.3641108E-07 0.2000327E-02 5.8620 15 HPO4-- 0.2675310E-08 0.1242692E-07 0.1192708E-02 4.7369 Component Tot moles Aq. moles Solid moles Gas moles 1 H+ -.2173288E-04 0.2480388E-06 -.2198092E-04 0.0000000E+00 2 H2O 0.5550822E+02 0.5550821E+02 0.1436545E-04 0.0000000E+00 3 Cl- 0.1379742E-03 0.1379742E-03 0.0000000E+00 0.0000000E+00 4 SO4-- 0.2556267E-04 0.2541842E-04 0.1442478E-06 0.0000000E+00 5 HCO3- 0.1307000E-04 0.1307000E-04 0.0000000E+00 0.0000000E+00 6 HS- -.5819816E-07 0.8604965E-07 -.1442478E-06 0.0000000E+00 7 Al+++ 0.6847557E-05 0.2418227E-06 0.6605735E-05 0.0000000E+00 8 H4SiO4 0.2186684E-04 0.2186684E-04 0.0000000E+00 0.0000000E+00 9 Ca++ 0.1688636E-04 0.1688636E-04 0.0000000E+00 0.0000000E+00 10 Mg++ 0.1666667E-05 0.1666667E-05 0.0000000E+00 0.0000000E+00 11 Fe++ 0.1497318E-05 0.3433356E-06 0.1153982E-05 0.0000000E+00 12 K+ 0.4458599E-06 0.4458599E-06 0.0000000E+00 0.0000000E+00 13 Na+ 0.1627070E-03 0.1627070E-03 0.0000000E+00 0.0000000E+00 14 Mn++ 0.3641105E-07 0.3641105E-07 0.0000000E+00 0.0000000E+00 15 HPO4-- 0.1242691E-07 0.1242691E-07 0.0000000E+00 0.0000000E+00 Chg. balance for solid moles: -.8470E-21 Mass of aqueous solution: 0.100001E+04 g Temperature = 100.00 C Pressure = 50.00 bar Mixer frac. = 0.0021000 Log Log Vol Gas or mineral Moles Moles Grams Grams Wt.% (cm3) diaspore 0.6606E-05 -5.180 0.3963E-03 -3.402 81.13 0.1180E-03 hematite 0.5770E-06 -6.239 0.9215E-04 -4.036 18.87 0.1747E-04 Partial press. Fugacity coef Log fugacity Gas or Mineral Mole fraction or activity Activity coef Log activity diaspore 0.1000E+01 0.1000E+01 1.0000 0.000 hematite 0.1000E+01 0.1000E+01 1.0000 0.000 Solid products produced: Mass = 0.000488 g Volume = 0.000135 cm3 Porosity: 99.9865% V(tot) - V(min): 0.10007E+01 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: 0.0021000 g log = -2.6778 Original solution: 1000.0102895 g Original solution / Rock added: 476195.38 (Water/Rock Ratio), log = 5.6778 Gas composition at saturation ( 2 iterations) ------------------------------------------------- Temperature: 100.0000 deg.C Sat. pressure: 1.0207 bar Gas Mole fraction phi Fugacity Partial P(bar) H2O,gas 0.9996E+00 0.9859 0.1006E+01 0.1020E+01 CO2,gas 0.4104E-03 1.0071 0.4219E-03 0.4189E-03 CH4,gas 0.2674E-10 1.0125 0.2763E-10 0.2729E-10 H2,gas 0.4955E-05 1.0005 0.5061E-05 0.5058E-05 H2S,gas 0.8855E-06 0.9960 0.9003E-06 0.9039E-06 S2,gas 0.1164E-20 1.0000 0.1188E-20 0.1188E-20 CO,gas 0.5575E-12 1.0000 0.5690E-12 0.5690E-12 SO3,gas 0.3748E-33 1.0000 0.3826E-33 0.3826E-33 SO2,gas 0.7380E-16 1.0000 0.7533E-16 0.7533E-16 HCl,gas 0.8845E-14 1.0000 0.9029E-14 0.9029E-14 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 65 diaspore 2.87 2.87 0.00 0.000 -0.30331E-11 90 hematite 12.57 12.57 0.00 0.000 0.30331E-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 -1.696 0.28965E+04 0.003 2 CO2,gas -6.66 -11.73 -5.07 -1.691 0.86633E+04 -3.375 3 CH4,gas 4.54 -7.71 -12.26 -3.064 0.20929E+05 -10.559 4 H2,gas 8.00 1.01 -6.99 -3.997 0.11943E+05 -5.296 5 H2S,gas -6.23 -13.97 -7.74 -3.872 0.13224E+05 -6.046 6 S2,gas -7.34 -29.96 -22.62 -3.481 0.38630E+05 -20.925 7 CO,gas 3.21 -10.73 -13.94 -4.290 0.23809E+05 -12.245 8 SO3,gas 17.12 -17.99 -35.12 -8.779 0.59960E+05 -33.417 9 SO2,gas 0.83 -16.99 -17.82 -4.753 0.30431E+05 -16.123 10 HCl,gas 5.19 -10.55 -15.74 -7.872 0.26881E+05 -14.044 21 andalusite 5.00 1.09 -3.92 -0.392 0.66871E+04 24 anhydrite -5.32 -9.46 -4.14 -2.072 0.70762E+04 35 aragonite 0.97 -3.20 -4.17 -1.389 0.71144E+04 37 calcite 0.81 -3.20 -4.01 -1.337 0.68502E+04 40 carpholite-Mg 8.58 3.95 -4.63 -0.309 0.79036E+04 41 carpholite-Fe 6.71 3.21 -3.50 -0.234 0.59831E+04 47 daphnite 28.97 25.69 -3.28 -0.102 0.55946E+04 50 chloritoid-Mg 13.20 8.62 -4.58 -0.305 0.78240E+04 51 chloritoid-Fe 9.17 7.87 -1.30 -0.087 0.22246E+04 52 chloritoid-Mn 11.40 6.95 -4.45 -0.297 0.76050E+04 54 coesite -2.38 -4.66 -2.29 -0.762 0.39035E+04 59 corundum 8.38 5.75 -2.64 -0.240 0.45004E+04 61 cristobalite -2.56 -4.66 -2.10 -0.701 0.35889E+04 83 gibbsite 4.08 2.87 -1.21 -0.172 0.20585E+04 92 hercynite 17.28 12.53 -4.75 -0.316 0.81029E+04 98 kaolinite -1.33 -3.58 -2.24 -0.204 0.38320E+04 99 kyanite 4.88 1.09 -3.79 -0.379 0.64730E+04 102 lawsonite 9.62 4.96 -4.66 -0.311 0.79556E+04 106 magnesite 0.69 -4.20 -4.89 -1.631 0.83567E+04 107 magnetite 20.09 19.35 -0.74 -0.060 0.12560E+04 128 periclase-Fe 11.63 6.79 -4.84 -1.210 0.82659E+04 142 pyrite -21.25 -22.17 -0.92 -0.217 0.15745E+04 143 pyrrhotite -4.26 -7.19 -2.93 -0.976 0.50010E+04 144 pyrrhotiteFe0.875 -6.02 -8.16 -2.15 -0.789 0.36627E+04 147 quartz -2.99 -4.66 -1.67 -0.558 0.28562E+04 151 rhodochrosite -0.98 -5.87 -4.90 -1.632 0.83591E+04 155 siderite -2.61 -4.95 -2.34 -0.780 0.39958E+04 156 sillimanite 5.26 1.09 -4.18 -0.418 0.71310E+04 177 topaz-H 4.62 1.09 -3.53 -0.321 0.60330E+04 178 tridymite -2.63 -4.66 -2.04 -0.679 0.34762E+04 181 troilite-low -4.41 -7.19 -2.78 -0.926 0.47438E+04 192 akaganeite 7.75 6.28 -1.47 -0.318 0.25125E+04 199 chalcedony -2.80 -4.66 -1.86 -0.620 0.31755E+04 214 gypsum -4.96 -9.46 -4.51 -1.126 0.76938E+04 233 boehmite 4.41 2.87 -1.53 -0.255 0.26169E+04 235 ferrous-oxide 9.81 6.79 -3.03 -0.756 0.51668E+04 240 silica-amorphous -2.09 -4.66 -2.57 -0.857 0.43897E+04 Calculations done for 100.0000 Deg. C; 50.0000 bar Next reactant titration increment of: 0.0001000 g Current total amount of reactant added: 0.0021000 g New total amount of reactant added: 0.0022000 g Solids and gases carried Charge balance check after fractionation or titration: TBAL = 0.7000E-15 ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ 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 = 0.0022000 Water: Moles liquid = 0.5551E+02 kg liquid = 0.1000E+01 Moles total = 0.5551E+02 kg total = 0.1000E+01 Activity = 1.0000 Stoichiometric ionic strength = .2474127E-03 Osmotic coef. = 0.9905 True ionic strength = .2456179E-03 Chg. balance for total moles = 0.7000E-15 Max. difference allowed = 0.1380E-07 Log Log Log Species(n) Molality Molality Activity Activity Gamma Gamma 1 H+ 0.20278E-06 -6.6930 0.19505E-06 -6.7098 0.96189E+00 -0.0169 2 H2O 0.10000E+01 0.0000 0.10000E+01 0.0000 3 Cl- 0.13796E-03 -3.8602 0.13269E-03 -3.8772 0.96178E+00 -0.0169 4 SO4-- 0.25293E-04 -4.5970 0.22839E-04 -4.6413 0.90298E+00 -0.0443 5 HCO3- 0.93232E-05 -5.0304 0.89671E-05 -5.0473 0.96181E+00 -0.0169 6 HS- 0.60644E-07 -7.2172 0.58327E-07 -7.2341 0.96178E+00 -0.0169 7 Al+++ 0.68279E-17 -17.1657 0.55481E-17 -17.2559 0.81257E+00 -0.0901 8 H4SiO4 0.22794E-04 -4.6422 0.22794E-04 -4.6422 0.10000E+01 0.0000 9 Ca++ 0.16877E-04 -4.7727 0.15238E-04 -4.8171 0.90286E+00 -0.0444 10 Mg++ 0.17420E-05 -5.7590 0.15726E-05 -5.8034 0.90278E+00 -0.0444 11 Fe++ 0.26450E-06 -6.5776 0.23879E-06 -6.6220 0.90280E+00 -0.0444 12 K+ 0.46692E-06 -6.3308 0.44909E-06 -6.3477 0.96181E+00 -0.0169 13 Na+ 0.16283E-03 -3.7883 0.15660E-03 -3.8052 0.96178E+00 -0.0169 14 Mn++ 0.37350E-07 -7.4277 0.33720E-07 -7.4721 0.90281E+00 -0.0444 15 HPO4-- 0.29734E-08 -8.5267 0.26849E-08 -8.5711 0.90298E+00 -0.0443 16 HSiO3- 0.11346E-06 -6.9452 0.10912E-06 -6.9621 0.96178E+00 -0.0169 17 Ca(HSiO3)+ 0.39370E-10 -10.4048 0.37867E-10 -10.4217 0.96182E+00 -0.0169 18 Mg(HSiO3)+ 0.50568E-11 -11.2961 0.48637E-11 -11.3130 0.96182E+00 -0.0169 19 NaHSiO3,aq 0.27638E-09 -9.5585 0.27638E-09 -9.5585 0.10000E+01 0.0000 20 AlO+ 0.20627E-10 -10.6856 0.19839E-10 -10.7025 0.96182E+00 -0.0169 21 AlOH+2 0.21342E-13 -13.6708 0.19269E-13 -13.7152 0.90283E+00 -0.0444 22 HAlO2,aq 0.20256E-07 -7.6935 0.20256E-07 -7.6935 0.10000E+01 0.0000 23 AlO2- 0.23902E-06 -6.6216 0.22988E-06 -6.6385 0.96175E+00 -0.0169 24 CH4,aq 0.22246E-13 -13.6527 0.22245E-13 -13.6528 0.99992E+00 0.0000 29 CO,aq 0.38268E-15 -15.4172 0.38268E-15 -15.4172 0.10000E+01 0.0000 30 CO2,aq 0.37376E-05 -5.4274 0.37373E-05 -5.4274 0.99992E+00 0.0000 31 CO3-2 0.44472E-08 -8.3519 0.40155E-08 -8.3963 0.90294E+00 -0.0443 32 CaCO3,aq 0.76723E-09 -9.1151 0.76723E-09 -9.1151 0.10000E+01 0.0000 33 Ca(HCO3)+ 0.36263E-08 -8.4405 0.34878E-08 -8.4574 0.96182E+00 -0.0169 34 CaCl+ 0.34020E-08 -8.4683 0.32721E-08 -8.4852 0.96182E+00 -0.0169 35 CaCl2,aq 0.10315E-12 -12.9865 0.10315E-12 -12.9865 0.10000E+01 0.0000 36 CaOH+ 0.57887E-08 -8.2374 0.55677E-08 -8.2543 0.96182E+00 -0.0169 37 CaSO4,aq 0.11051E-06 -6.9566 0.11051E-06 -6.9566 0.10000E+01 0.0000 38 HCl,aq 0.47427E-11 -11.3240 0.47427E-11 -11.3240 0.10000E+01 0.0000 43 FeCl+ 0.52144E-10 -10.2828 0.50153E-10 -10.2997 0.96182E+00 -0.0169 44 FeCl2,aq 0.21069E-18 -18.6763 0.21069E-18 -18.6763 0.10000E+01 0.0000 46 FeO,aq 0.24394E-09 -9.6127 0.24394E-09 -9.6127 0.10000E+01 0.0000 47 FeOH+ 0.41433E-07 -7.3827 0.39851E-07 -7.3996 0.96182E+00 -0.0169 48 HFeO2- 0.13606E-10 -10.8663 0.13086E-10 -10.8832 0.96178E+00 -0.0169 49 FeO+ 0.15479E-11 -11.8103 0.14888E-11 -11.8272 0.96182E+00 -0.0169 50 FeOH+2 0.61426E-16 -16.2116 0.55457E-16 -16.2560 0.90283E+00 -0.0444 51 FeO2- 0.83255E-11 -11.0796 0.80073E-11 -11.0965 0.96178E+00 -0.0169 52 HFeO2,aq 0.19864E-09 -9.7019 0.19864E-09 -9.7019 0.10000E+01 0.0000 53 H2,aq 0.40764E-08 -8.3897 0.40761E-08 -8.3898 0.99992E+00 0.0000 54 KCl,aq 0.10800E-11 -11.9666 0.10800E-11 -11.9666 0.10000E+01 0.0000 55 KHSO4,aq 0.56566E-17 -17.2474 0.56566E-17 -17.2474 0.10000E+01 0.0000 56 KOH,aq 0.98327E-12 -12.0073 0.98327E-12 -12.0073 0.10000E+01 0.0000 57 KSO4- 0.16549E-09 -9.7812 0.15916E-09 -9.7982 0.96178E+00 -0.0169 58 MgCO3,aq 0.19848E-10 -10.7023 0.19848E-10 -10.7023 0.10000E+01 0.0000 59 Mg(HCO3)+ 0.38243E-09 -9.4175 0.36782E-09 -9.4344 0.96182E+00 -0.0169 60 MgCl+ 0.31823E-09 -9.4973 0.30607E-09 -9.5142 0.96182E+00 -0.0169 61 MgOH+ 0.33059E-08 -8.4807 0.31797E-08 -8.4976 0.96182E+00 -0.0169 63 MnO,aq 0.91786E-12 -12.0372 0.91786E-12 -12.0372 0.10000E+01 0.0000 64 MnOH+ 0.54351E-09 -9.2648 0.52275E-09 -9.2817 0.96182E+00 -0.0169 66 HMnO2- 0.35574E-16 -16.4489 0.34214E-16 -16.4658 0.96178E+00 -0.0169 69 MnCl+ 0.28646E-10 -10.5429 0.27552E-10 -10.5598 0.96182E+00 -0.0169 70 MnSO4,aq 0.22233E-09 -9.6530 0.22233E-09 -9.6530 0.10000E+01 0.0000 71 NaCl,aq 0.68864E-08 -8.1620 0.68864E-08 -8.1620 0.10000E+01 0.0000 72 NaOH,aq 0.34495E-09 -9.4622 0.34495E-09 -9.4622 0.10000E+01 0.0000 74 OH- 0.30800E-05 -5.5115 0.29622E-05 -5.5284 0.96175E+00 -0.0169 79 HPO3-2 0.37771E-19 -19.4228 0.34105E-19 -19.4672 0.90294E+00 -0.0443 81 H2PO3- 0.13870E-19 -19.8579 0.13340E-19 -19.8749 0.96178E+00 -0.0169 82 H3PO4,aq 0.71442E-12 -12.1460 0.71442E-12 -12.1460 0.10000E+01 0.0000 83 H2PO4- 0.10045E-07 -7.9981 0.96608E-08 -8.0150 0.96180E+00 -0.0169 84 PO4-3 0.13809E-13 -13.8598 0.11231E-13 -13.9496 0.81330E+00 -0.0897 87 H2P2O7-2 0.81048E-17 -17.0913 0.73181E-17 -17.1356 0.90294E+00 -0.0443 88 HP2O7-3 0.92197E-17 -17.0353 0.74916E-17 -17.1254 0.81257E+00 -0.0901 89 P2O7-4 0.13081E-19 -19.8834 0.91756E-20 -20.0374 0.70144E+00 -0.1540 90 H2S,aq 0.35164E-07 -7.4539 0.35161E-07 -7.4539 0.99992E+00 0.0000 91 S2-2 0.20482E-16 -16.6886 0.18494E-16 -16.7330 0.90294E+00 -0.0443 96 SO2,aq 0.15818E-16 -16.8009 0.15818E-16 -16.8009 0.10000E+01 0.0000 97 SO3-2 0.13394E-13 -13.8731 0.12098E-13 -13.9173 0.90318E+00 -0.0442 98 HSO3- 0.15361E-12 -12.8136 0.14774E-12 -12.8305 0.96178E+00 -0.0169 99 HSO4- 0.44636E-08 -8.3503 0.42932E-08 -8.3672 0.96183E+00 -0.0169 101 S2O3-2 0.10447E-13 -13.9810 0.94334E-14 -14.0253 0.90294E+00 -0.0443 102 HS2O3- 0.34207E-18 -18.4659 0.32899E-18 -18.4828 0.96178E+00 -0.0169 Charge balance for all species = 0.7000E-15 Component Molality Aq.molality ppm log[A(N)/A(H+)**Z] (total) 1 H+ 0.2027806E-06 -.2791636E-06 -.2813766E-03 0.0000 2 H2O 0.1000000E+01 0.5550825E+02 0.9999852E+06 0.0000 3 Cl- 0.1379636E-03 0.1379743E-03 0.4891541E+01 2.8327 4 SO4-- 0.2529332E-04 0.2540769E-04 0.2440672E+01 8.7784 5 HCO3- 0.9323172E-05 0.1307001E-04 0.7974853E+00 1.6625 6 HS- 0.6064425E-07 0.9680127E-07 0.3201371E-02 -0.5243 7 Al+++ 0.6827929E-17 0.2592950E-06 0.6996081E-02 2.8737 8 H4SiO4 0.2279436E-04 0.2290814E-04 0.2201797E+01 -4.6422 9 Ca++ 0.1687725E-04 0.1700139E-04 0.6813730E+00 8.6026 10 Mg++ 0.1742002E-05 0.1746033E-05 0.4244902E-01 7.6163 11 Fe++ 0.2645026E-06 0.3064536E-06 0.1711430E-01 6.7977 12 K+ 0.4669241E-06 0.4670917E-06 0.1826399E-01 0.3622 13 Na+ 0.1628252E-03 0.1628327E-03 0.3743443E+01 2.9046 14 Mn++ 0.3734954E-07 0.3814494E-07 0.2095580E-02 5.9476 15 HPO4-- 0.2973403E-08 0.1301868E-07 0.1249504E-02 4.8486 Component Tot moles Aq. moles Solid moles Gas moles 1 H+ -.2338873E-04 -.2791634E-06 -.2310957E-04 0.0000000E+00 2 H2O 0.5550822E+02 0.5550821E+02 0.1509084E-04 0.0000000E+00 3 Cl- 0.1379742E-03 0.1379742E-03 0.0000000E+00 0.0000000E+00 4 SO4-- 0.2556544E-04 0.2540767E-04 0.1577707E-06 0.0000000E+00 5 HCO3- 0.1307000E-04 0.1307000E-04 0.0000000E+00 0.0000000E+00 6 HS- -.6096950E-07 0.9680119E-07 -.1577707E-06 0.0000000E+00 7 Al+++ 0.7173632E-05 0.2592948E-06 0.6914337E-05 0.0000000E+00 8 H4SiO4 0.2290812E-04 0.2290812E-04 0.0000000E+00 0.0000000E+00 9 Ca++ 0.1700137E-04 0.1700137E-04 0.0000000E+00 0.0000000E+00 10 Mg++ 0.1746032E-05 0.1746032E-05 0.0000000E+00 0.0000000E+00 11 Fe++ 0.1568619E-05 0.3064534E-06 0.1262166E-05 0.0000000E+00 12 K+ 0.4670913E-06 0.4670913E-06 0.0000000E+00 0.0000000E+00 13 Na+ 0.1628325E-03 0.1628325E-03 0.0000000E+00 0.0000000E+00 14 Mn++ 0.3814491E-07 0.3814491E-07 0.0000000E+00 0.0000000E+00 15 HPO4-- 0.1301867E-07 0.1301867E-07 0.0000000E+00 0.0000000E+00 Chg. balance for solid moles: -.2541E-20 Mass of aqueous solution: 0.100001E+04 g Temperature = 100.00 C Pressure = 50.00 bar Mixer frac. = 0.0022000 Log Log Vol Gas or mineral Moles Moles Grams Grams Wt.% (cm3) diaspore 0.6914E-05 -5.160 0.4148E-03 -3.382 80.45 0.1235E-03 hematite 0.6311E-06 -6.200 0.1008E-03 -3.997 19.55 0.1910E-04 Partial press. Fugacity coef Log fugacity Gas or Mineral Mole fraction or activity Activity coef Log activity diaspore 0.1000E+01 0.1000E+01 1.0000 0.000 hematite 0.1000E+01 0.1000E+01 1.0000 0.000 Solid products produced: Mass = 0.000516 g Volume = 0.000143 cm3 Porosity: 99.9858% V(tot) - V(min): 0.10007E+01 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: 0.0022000 g log = -2.6576 Original solution: 1000.0102895 g Original solution / Rock added: 454550.13 (Water/Rock Ratio), log = 5.6576 Gas composition at saturation ( 2 iterations) ------------------------------------------------- Temperature: 100.0000 deg.C Sat. pressure: 1.0207 bar Gas Mole fraction phi Fugacity Partial P(bar) H2O,gas 0.9996E+00 0.9859 0.1006E+01 0.1020E+01 CO2,gas 0.3890E-03 1.0071 0.3999E-03 0.3970E-03 CH4,gas 0.3168E-10 1.0125 0.3274E-10 0.3234E-10 H2,gas 0.5240E-05 1.0005 0.5351E-05 0.5348E-05 H2S,gas 0.9507E-06 0.9960 0.9666E-06 0.9704E-06 S2,gas 0.1200E-20 1.0000 0.1225E-20 0.1225E-20 CO,gas 0.5587E-12 1.0000 0.5703E-12 0.5703E-12 SO3,gas 0.3219E-33 1.0000 0.3285E-33 0.3285E-33 SO2,gas 0.6701E-16 1.0000 0.6840E-16 0.6840E-16 HCl,gas 0.8199E-14 1.0000 0.8369E-14 0.8369E-14 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 65 diaspore 2.87 2.87 0.00 0.000 -0.30331E-11 90 hematite 12.57 12.57 0.00 0.000 0.30331E-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 -1.696 0.28965E+04 0.003 2 CO2,gas -6.66 -11.76 -5.10 -1.699 0.87031E+04 -3.398 3 CH4,gas 4.54 -7.64 -12.18 -3.046 0.20804E+05 -10.485 4 H2,gas 8.00 1.03 -6.97 -3.983 0.11902E+05 -5.272 5 H2S,gas -6.23 -13.94 -7.71 -3.857 0.13171E+05 -6.015 6 S2,gas -7.34 -29.95 -22.61 -3.479 0.38608E+05 -20.912 7 CO,gas 3.21 -10.73 -13.94 -4.290 0.23807E+05 -12.244 8 SO3,gas 17.12 -18.06 -35.18 -8.796 0.60073E+05 -33.483 9 SO2,gas 0.83 -17.03 -17.86 -4.764 0.30502E+05 -16.165 10 HCl,gas 5.19 -10.59 -15.78 -7.888 0.26938E+05 -14.077 21 andalusite 5.00 1.11 -3.90 -0.390 0.66528E+04 24 anhydrite -5.32 -9.46 -4.14 -2.071 0.70717E+04 32 apatite-OH -18.15 -22.96 -4.81 -0.370 0.82056E+04 35 aragonite 0.97 -3.15 -4.12 -1.374 0.70367E+04 36 brucite 12.57 7.62 -4.95 -0.990 0.84558E+04 37 calcite 0.81 -3.15 -3.97 -1.322 0.67724E+04 40 carpholite-Mg 8.58 4.08 -4.50 -0.300 0.76883E+04 41 carpholite-Fe 6.71 3.26 -3.45 -0.230 0.58940E+04 47 daphnite 28.97 25.81 -3.16 -0.099 0.53884E+04 50 chloritoid-Mg 13.20 8.72 -4.48 -0.298 0.76429E+04 51 chloritoid-Fe 9.17 7.90 -1.27 -0.085 0.21697E+04 52 chloritoid-Mn 11.40 7.05 -4.35 -0.290 0.74246E+04 54 coesite -2.38 -4.64 -2.27 -0.755 0.38693E+04 59 corundum 8.38 5.75 -2.64 -0.240 0.45004E+04 61 cristobalite -2.56 -4.64 -2.08 -0.694 0.35547E+04 83 gibbsite 4.08 2.87 -1.21 -0.172 0.20585E+04 92 hercynite 17.28 12.55 -4.73 -0.316 0.80822E+04 98 kaolinite -1.33 -3.54 -2.20 -0.200 0.37636E+04 99 kyanite 4.88 1.11 -3.77 -0.377 0.64387E+04 102 lawsonite 9.62 5.07 -4.55 -0.303 0.77697E+04 106 magnesite 0.69 -4.14 -4.83 -1.610 0.82496E+04 107 magnetite 20.09 19.36 -0.72 -0.059 0.12353E+04 128 periclase-Fe 11.63 6.80 -4.83 -1.207 0.82452E+04 142 pyrite -21.25 -22.12 -0.87 -0.205 0.14899E+04 143 pyrrhotite -4.26 -7.15 -2.89 -0.962 0.49277E+04 144 pyrrhotiteFe0.875 -6.02 -8.12 -2.11 -0.775 0.35971E+04 147 quartz -2.99 -4.64 -1.65 -0.551 0.28220E+04 151 rhodochrosite -0.98 -5.81 -4.83 -1.611 0.82527E+04 155 siderite -2.61 -4.96 -2.35 -0.784 0.40148E+04 156 sillimanite 5.26 1.11 -4.16 -0.416 0.70968E+04 177 topaz-H 4.62 1.11 -3.51 -0.319 0.59988E+04 178 tridymite -2.63 -4.64 -2.02 -0.672 0.34420E+04 181 troilite-low -4.41 -7.15 -2.74 -0.912 0.46705E+04 192 akaganeite 7.75 6.28 -1.47 -0.318 0.25125E+04 199 chalcedony -2.80 -4.64 -1.84 -0.613 0.31413E+04 214 gypsum -4.96 -9.46 -4.50 -1.126 0.76892E+04 233 boehmite 4.41 2.87 -1.53 -0.255 0.26169E+04 235 ferrous-oxide 9.81 6.80 -3.01 -0.753 0.51461E+04 240 silica-amorphous -2.09 -4.64 -2.55 -0.850 0.43555E+04 Calculations done for 100.0000 Deg. C; 50.0000 bar Next reactant titration increment of: 0.0001000 g Current total amount of reactant added: 0.0022000 g New total amount of reactant added: 0.0023000 g Solids and gases carried Charge balance check after fractionation or titration: TBAL = 0.7000E-15 ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ 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 = 0.0023000 Water: Moles liquid = 0.5551E+02 kg liquid = 0.1000E+01 Moles total = 0.5551E+02 kg total = 0.1000E+01 Activity = 1.0000 Stoichiometric ionic strength = .2478820E-03 Osmotic coef. = 0.9905 True ionic strength = .2462290E-03 Chg. balance for total moles = 0.7000E-15 Max. difference allowed = 0.1380E-07 Log Log Log Species(n) Molality Molality Activity Activity Gamma Gamma 1 H+ 0.18814E-06 -6.7255 0.18097E-06 -6.7424 0.96186E+00 -0.0169 2 H2O 0.10000E+01 0.0000 0.10000E+01 0.0000 3 Cl- 0.13796E-03 -3.8602 0.13269E-03 -3.8772 0.96176E+00 -0.0169 4 SO4-- 0.25283E-04 -4.5972 0.22827E-04 -4.6415 0.90288E+00 -0.0444 5 HCO3- 0.95195E-05 -5.0214 0.91557E-05 -5.0383 0.96178E+00 -0.0169 6 HS- 0.68931E-07 -7.1616 0.66295E-07 -7.1785 0.96176E+00 -0.0169 7 Al+++ 0.54542E-17 -17.2633 0.44308E-17 -17.3535 0.81238E+00 -0.0902 8 H4SiO4 0.23821E-04 -4.6230 0.23821E-04 -4.6230 0.10000E+01 0.0000 9 Ca++ 0.16991E-04 -4.7698 0.15339E-04 -4.8142 0.90276E+00 -0.0444 10 Mg++ 0.18209E-05 -5.7397 0.16437E-05 -5.7842 0.90269E+00 -0.0445 11 Fe++ 0.23357E-06 -6.6316 0.21084E-06 -6.6760 0.90271E+00 -0.0445 12 K+ 0.48815E-06 -6.3114 0.46949E-06 -6.3284 0.96179E+00 -0.0169 13 Na+ 0.16295E-03 -3.7879 0.15672E-03 -3.8049 0.96175E+00 -0.0169 14 Mn++ 0.39004E-07 -7.4089 0.35210E-07 -7.4533 0.90272E+00 -0.0444 15 HPO4-- 0.32922E-08 -8.4825 0.29725E-08 -8.5269 0.90289E+00 -0.0444 16 HSiO3- 0.12780E-06 -6.8935 0.12291E-06 -6.9104 0.96176E+00 -0.0169 17 Ca(HSiO3)+ 0.44642E-10 -10.3503 0.42936E-10 -10.3672 0.96179E+00 -0.0169 18 Mg(HSiO3)+ 0.59535E-11 -11.2252 0.57260E-11 -11.2421 0.96179E+00 -0.0169 19 NaHSiO3,aq 0.31155E-09 -9.5065 0.31155E-09 -9.5065 0.10000E+01 0.0000 20 AlO+ 0.19138E-10 -10.7181 0.18406E-10 -10.7350 0.96179E+00 -0.0169 21 AlOH+2 0.18373E-13 -13.7358 0.16586E-13 -13.7803 0.90274E+00 -0.0444 22 HAlO2,aq 0.20256E-07 -7.6935 0.20256E-07 -7.6935 0.10000E+01 0.0000 23 AlO2- 0.25763E-06 -6.5890 0.24777E-06 -6.6060 0.96172E+00 -0.0169 24 CH4,aq 0.25831E-13 -13.5879 0.25829E-13 -13.5879 0.99992E+00 0.0000 29 CO,aq 0.38143E-15 -15.4186 0.38143E-15 -15.4186 0.10000E+01 0.0000 30 CO2,aq 0.35406E-05 -5.4509 0.35403E-05 -5.4510 0.99992E+00 0.0000 31 CO3-2 0.48947E-08 -8.3103 0.44191E-08 -8.3547 0.90285E+00 -0.0444 32 CaCO3,aq 0.84994E-09 -9.0706 0.84994E-09 -9.0706 0.10000E+01 0.0000 33 Ca(HCO3)+ 0.37272E-08 -8.4286 0.35848E-08 -8.4455 0.96179E+00 -0.0169 34 CaCl+ 0.34245E-08 -8.4654 0.32937E-08 -8.4823 0.96179E+00 -0.0169 35 CaCl2,aq 0.10383E-12 -12.9837 0.10383E-12 -12.9837 0.10000E+01 0.0000 36 CaOH+ 0.62808E-08 -8.2020 0.60408E-08 -8.2189 0.96179E+00 -0.0169 37 CaSO4,aq 0.11119E-06 -6.9539 0.11119E-06 -6.9539 0.10000E+01 0.0000 38 HCl,aq 0.44001E-11 -11.3565 0.44001E-11 -11.3565 0.10000E+01 0.0000 43 FeCl+ 0.46041E-10 -10.3369 0.44282E-10 -10.3538 0.96179E+00 -0.0169 44 FeCl2,aq 0.18603E-18 -18.7304 0.18603E-18 -18.7304 0.10000E+01 0.0000 46 FeO,aq 0.25023E-09 -9.6017 0.25023E-09 -9.6017 0.10000E+01 0.0000 47 FeOH+ 0.39432E-07 -7.4041 0.37925E-07 -7.4211 0.96179E+00 -0.0169 48 HFeO2- 0.15043E-10 -10.8227 0.14468E-10 -10.8396 0.96176E+00 -0.0169 49 FeO+ 0.14362E-11 -11.8428 0.13813E-11 -11.8597 0.96179E+00 -0.0169 50 FeOH+2 0.52880E-16 -16.2767 0.47736E-16 -16.3212 0.90274E+00 -0.0444 51 FeO2- 0.89738E-11 -11.0470 0.86306E-11 -11.0640 0.96176E+00 -0.0169 52 HFeO2,aq 0.19864E-09 -9.7019 0.19864E-09 -9.7019 0.10000E+01 0.0000 53 H2,aq 0.42892E-08 -8.3676 0.42888E-08 -8.3677 0.99992E+00 0.0000 54 KCl,aq 0.11291E-11 -11.9473 0.11291E-11 -11.9473 0.10000E+01 0.0000 55 KHSO4,aq 0.54836E-17 -17.2609 0.54836E-17 -17.2609 0.10000E+01 0.0000 56 KOH,aq 0.11079E-11 -11.9555 0.11079E-11 -11.9555 0.10000E+01 0.0000 57 KSO4- 0.17292E-09 -9.7622 0.16631E-09 -9.7791 0.96176E+00 -0.0169 58 MgCO3,aq 0.22830E-10 -10.6415 0.22830E-10 -10.6415 0.10000E+01 0.0000 59 Mg(HCO3)+ 0.40812E-09 -9.3892 0.39253E-09 -9.4061 0.96179E+00 -0.0169 60 MgCl+ 0.33261E-09 -9.4781 0.31990E-09 -9.4950 0.96179E+00 -0.0169 61 MgOH+ 0.37244E-08 -8.4289 0.35821E-08 -8.4459 0.96179E+00 -0.0169 63 MnO,aq 0.11134E-11 -11.9533 0.11134E-11 -11.9533 0.10000E+01 0.0000 64 MnOH+ 0.61172E-09 -9.2134 0.58834E-09 -9.2304 0.96179E+00 -0.0169 66 HMnO2- 0.46514E-16 -16.3324 0.44735E-16 -16.3494 0.96176E+00 -0.0169 69 MnCl+ 0.29912E-10 -10.5242 0.28769E-10 -10.5411 0.96179E+00 -0.0169 70 MnSO4,aq 0.23204E-09 -9.6344 0.23204E-09 -9.6344 0.10000E+01 0.0000 71 NaCl,aq 0.68914E-08 -8.1617 0.68914E-08 -8.1617 0.10000E+01 0.0000 72 NaOH,aq 0.37208E-09 -9.4294 0.37208E-09 -9.4294 0.10000E+01 0.0000 74 OH- 0.33198E-05 -5.4789 0.31927E-05 -5.4958 0.96172E+00 -0.0169 79 HPO3-2 0.44004E-19 -19.3565 0.39729E-19 -19.4009 0.90285E+00 -0.0444 81 H2PO3- 0.14990E-19 -19.8242 0.14417E-19 -19.8411 0.96176E+00 -0.0169 82 H3PO4,aq 0.68083E-12 -12.1670 0.68083E-12 -12.1670 0.10000E+01 0.0000 83 H2PO4- 0.10318E-07 -7.9864 0.99231E-08 -8.0034 0.96177E+00 -0.0169 84 PO4-3 0.16482E-13 -13.7830 0.13402E-13 -13.8728 0.81312E+00 -0.0898 87 H2P2O7-2 0.85518E-17 -17.0679 0.77209E-17 -17.1123 0.90285E+00 -0.0444 88 HP2O7-3 0.10487E-16 -16.9794 0.85192E-17 -17.0696 0.81239E+00 -0.0902 89 P2O7-4 0.16040E-19 -19.7948 0.11246E-19 -19.9490 0.70116E+00 -0.1542 90 H2S,aq 0.37082E-07 -7.4308 0.37079E-07 -7.4309 0.99992E+00 0.0000 91 S2-2 0.25150E-16 -16.5995 0.22707E-16 -16.6438 0.90285E+00 -0.0444 96 SO2,aq 0.14319E-16 -16.8441 0.14319E-16 -16.8441 0.10000E+01 0.0000 97 SO3-2 0.14088E-13 -13.8512 0.12722E-13 -13.8954 0.90309E+00 -0.0443 98 HSO3- 0.14989E-12 -12.8242 0.14415E-12 -12.8412 0.96176E+00 -0.0169 99 HSO4- 0.41392E-08 -8.3831 0.39811E-08 -8.4000 0.96181E+00 -0.0169 101 S2O3-2 0.11013E-13 -13.9581 0.99426E-14 -14.0025 0.90285E+00 -0.0444 102 HS2O3- 0.33451E-18 -18.4756 0.32171E-18 -18.4925 0.96176E+00 -0.0169 Charge balance for all species = 0.7000E-15 Component Molality Aq.molality ppm log[A(N)/A(H+)**Z] (total) 1 H+ 0.1881411E-06 -.8171876E-06 -.8236656E-03 0.0000 2 H2O 0.1000000E+01 0.5550825E+02 0.9999850E+06 0.0000 3 Cl- 0.1379636E-03 0.1379743E-03 0.4891540E+01 2.8652 4 SO4-- 0.2528275E-04 0.2539743E-04 0.2439687E+01 8.8433 5 HCO3- 0.9519499E-05 0.1307001E-04 0.7974853E+00 1.7041 6 HS- 0.6893115E-07 0.1070590E-06 0.3540609E-02 -0.4361 7 Al+++ 0.5454162E-17 0.2779050E-06 0.7498199E-02 2.8737 8 H4SiO4 0.2382126E-04 0.2394942E-04 0.2301879E+01 -4.6230 9 Ca++ 0.1699089E-04 0.1711640E-04 0.6859824E+00 8.6706 10 Mg++ 0.1820904E-05 0.1825398E-05 0.4437852E-01 7.7006 11 Fe++ 0.2335697E-06 0.2735222E-06 0.1527520E-01 6.8088 12 K+ 0.4881480E-06 0.4883231E-06 0.1909417E-01 0.4140 13 Na+ 0.1629506E-03 0.1629582E-03 0.3746329E+01 2.9375 14 Mn++ 0.3900403E-07 0.3987880E-07 0.2190834E-02 6.0315 15 HPO4-- 0.3292202E-08 0.1361044E-07 0.1306300E-02 4.9579 Component Tot moles Aq. moles Solid moles Gas moles 1 H+ -.2504459E-04 -.8171869E-06 -.2422740E-04 0.0000000E+00 2 H2O 0.5550822E+02 0.5550821E+02 0.1581000E-04 0.0000000E+00 3 Cl- 0.1379742E-03 0.1379742E-03 0.0000000E+00 0.0000000E+00 4 SO4-- 0.2556821E-04 0.2539741E-04 0.1707997E-06 0.0000000E+00 5 HCO3- 0.1307000E-04 0.1307000E-04 0.0000000E+00 0.0000000E+00 6 HS- -.6374084E-07 0.1070589E-06 -.1707997E-06 0.0000000E+00 7 Al+++ 0.7499706E-05 0.2779048E-06 0.7221801E-05 0.0000000E+00 8 H4SiO4 0.2394940E-04 0.2394940E-04 0.0000000E+00 0.0000000E+00 9 Ca++ 0.1711639E-04 0.1711639E-04 0.0000000E+00 0.0000000E+00 10 Mg++ 0.1825397E-05 0.1825397E-05 0.0000000E+00 0.0000000E+00 11 Fe++ 0.1639920E-05 0.2735220E-06 0.1366398E-05 0.0000000E+00 12 K+ 0.4883227E-06 0.4883227E-06 0.0000000E+00 0.0000000E+00 13 Na+ 0.1629581E-03 0.1629581E-03 0.0000000E+00 0.0000000E+00 14 Mn++ 0.3987877E-07 0.3987877E-07 0.0000000E+00 0.0000000E+00 15 HPO4-- 0.1361043E-07 0.1361043E-07 0.0000000E+00 0.0000000E+00 Chg. balance for solid moles: -.4235E-21 Mass of aqueous solution: 0.100001E+04 g Temperature = 100.00 C Pressure = 50.00 bar Mixer frac. = 0.0023000 Log Log Vol Gas or mineral Moles Moles Grams Grams Wt.% (cm3) diaspore 0.7222E-05 -5.141 0.4332E-03 -3.363 79.88 0.1290E-03 hematite 0.6832E-06 -6.165 0.1091E-03 -3.962 20.12 0.2068E-04 Partial press. Fugacity coef Log fugacity Gas or Mineral Mole fraction or activity Activity coef Log activity diaspore 0.1000E+01 0.1000E+01 1.0000 0.000 hematite 0.1000E+01 0.1000E+01 1.0000 0.000 Solid products produced: Mass = 0.000542 g Volume = 0.000150 cm3 Porosity: 99.9850% V(tot) - V(min): 0.10008E+01 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: 0.0023000 g log = -2.6383 Original solution: 1000.0102895 g Original solution / Rock added: 434787.08 (Water/Rock Ratio), log = 5.6383 Gas composition at saturation ( 2 iterations) ------------------------------------------------- Temperature: 100.0000 deg.C Sat. pressure: 1.0207 bar Gas Mole fraction phi Fugacity Partial P(bar) H2O,gas 0.9996E+00 0.9859 0.1006E+01 0.1020E+01 CO2,gas 0.3685E-03 1.0071 0.3788E-03 0.3761E-03 CH4,gas 0.3679E-10 1.0125 0.3802E-10 0.3755E-10 H2,gas 0.5514E-05 1.0005 0.5631E-05 0.5628E-05 H2S,gas 0.1003E-05 0.9960 0.1019E-05 0.1023E-05 S2,gas 0.1205E-20 1.0000 0.1230E-20 0.1230E-20 CO,gas 0.5569E-12 1.0000 0.5684E-12 0.5684E-12 SO3,gas 0.2769E-33 1.0000 0.2827E-33 0.2827E-33 SO2,gas 0.6067E-16 1.0000 0.6192E-16 0.6192E-16 HCl,gas 0.7607E-14 1.0000 0.7764E-14 0.7764E-14 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 65 diaspore 2.87 2.87 0.00 0.000 0.30331E-11 90 hematite 12.57 12.57 0.00 0.000 -0.30331E-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 -1.696 0.28965E+04 0.003 2 CO2,gas -6.66 -11.78 -5.12 -1.707 0.87433E+04 -3.422 3 CH4,gas 4.54 -7.58 -12.12 -3.030 0.20693E+05 -10.420 4 H2,gas 8.00 1.05 -6.95 -3.971 0.11864E+05 -5.249 5 H2S,gas -6.23 -13.92 -7.69 -3.845 0.13132E+05 -5.992 6 S2,gas -7.34 -29.94 -22.61 -3.478 0.38604E+05 -20.910 7 CO,gas 3.21 -10.73 -13.94 -4.291 0.23810E+05 -12.245 8 SO3,gas 17.12 -18.13 -35.25 -8.812 0.60185E+05 -33.549 9 SO2,gas 0.83 -17.07 -17.91 -4.775 0.30576E+05 -16.208 10 HCl,gas 5.19 -10.62 -15.81 -7.904 0.26993E+05 -14.110 21 andalusite 5.00 1.12 -3.88 -0.388 0.66202E+04 24 anhydrite -5.32 -9.46 -4.14 -2.069 0.70671E+04 32 apatite-OH -18.15 -22.68 -4.53 -0.348 0.77324E+04 35 aragonite 0.97 -3.11 -4.08 -1.359 0.69607E+04 36 brucite 12.57 7.70 -4.87 -0.974 0.83119E+04 37 calcite 0.81 -3.11 -3.92 -1.307 0.66965E+04 40 carpholite-Mg 8.58 4.20 -4.38 -0.292 0.74790E+04 41 carpholite-Fe 6.71 3.31 -3.40 -0.227 0.58098E+04 47 daphnite 28.97 25.92 -3.04 -0.095 0.51960E+04 50 chloritoid-Mg 13.20 8.82 -4.37 -0.292 0.74663E+04 51 chloritoid-Fe 9.17 7.93 -1.24 -0.083 0.21181E+04 52 chloritoid-Mn 11.40 7.16 -4.25 -0.283 0.72486E+04 54 coesite -2.38 -4.62 -2.25 -0.749 0.38366E+04 59 corundum 8.38 5.75 -2.64 -0.240 0.45004E+04 61 cristobalite -2.56 -4.62 -2.06 -0.688 0.35220E+04 83 gibbsite 4.08 2.87 -1.21 -0.172 0.20585E+04 87 greenalite 16.14 11.18 -4.96 -0.413 0.84678E+04 92 hercynite 17.28 12.56 -4.72 -0.315 0.80633E+04 98 kaolinite -1.33 -3.50 -2.17 -0.197 0.36982E+04 99 kyanite 4.88 1.12 -3.75 -0.375 0.64061E+04 102 lawsonite 9.62 5.17 -4.44 -0.296 0.75883E+04 106 magnesite 0.69 -4.08 -4.77 -1.590 0.81458E+04 107 magnetite 20.09 19.37 -0.71 -0.058 0.12165E+04 128 periclase-Fe 11.63 6.81 -4.82 -1.204 0.82263E+04 142 pyrite -21.25 -22.08 -0.84 -0.197 0.14300E+04 143 pyrrhotite -4.26 -7.11 -2.85 -0.951 0.48694E+04 144 pyrrhotiteFe0.875 -6.02 -8.09 -2.08 -0.764 0.35459E+04 147 quartz -2.99 -4.62 -1.63 -0.545 0.27893E+04 151 rhodochrosite -0.98 -5.75 -4.77 -1.591 0.81496E+04 155 siderite -2.61 -4.97 -2.36 -0.788 0.40361E+04 156 sillimanite 5.26 1.12 -4.14 -0.414 0.70641E+04 177 topaz-H 4.62 1.12 -3.49 -0.318 0.59661E+04 178 tridymite -2.63 -4.62 -2.00 -0.666 0.34093E+04 181 troilite-low -4.41 -7.11 -2.70 -0.900 0.46122E+04 192 akaganeite 7.75 6.28 -1.47 -0.318 0.25125E+04 199 chalcedony -2.80 -4.62 -1.82 -0.607 0.31086E+04 214 gypsum -4.96 -9.46 -4.50 -1.125 0.76847E+04 233 boehmite 4.41 2.87 -1.53 -0.255 0.26169E+04 235 ferrous-oxide 9.81 6.81 -3.00 -0.751 0.51272E+04 240 silica-amorphous -2.09 -4.62 -2.53 -0.844 0.43228E+04 Calculations done for 100.0000 Deg. C; 50.0000 bar Next reactant titration increment of: 0.0001000 g Current total amount of reactant added: 0.0023000 g New total amount of reactant added: 0.0024000 g Solids and gases carried Charge balance check after fractionation or titration: TBAL = 0.7000E-15 ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ 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 = 0.0024000 Water: Moles liquid = 0.5551E+02 kg liquid = 0.1000E+01 Moles total = 0.5551E+02 kg total = 0.1000E+01 Activity = 1.0000 Stoichiometric ionic strength = .2483646E-03 Osmotic coef. = 0.9905 True ionic strength = .2468528E-03 Chg. balance for total moles = 0.7000E-15 Max. difference allowed = 0.1380E-07 Log Log Log Species(n) Molality Molality Activity Activity Gamma Gamma 1 H+ 0.17476E-06 -6.7576 0.16809E-06 -6.7745 0.96184E+00 -0.0169 2 H2O 0.10000E+01 0.0000 0.10000E+01 0.0000 3 Cl- 0.13796E-03 -3.8602 0.13268E-03 -3.8772 0.96173E+00 -0.0169 4 SO4-- 0.25273E-04 -4.5973 0.22816E-04 -4.6418 0.90279E+00 -0.0444 5 HCO3- 0.97063E-05 -5.0129 0.93351E-05 -5.0299 0.96176E+00 -0.0169 6 HS- 0.77186E-07 -7.1125 0.74232E-07 -7.1294 0.96173E+00 -0.0169 7 Al+++ 0.43717E-17 -17.3594 0.35506E-17 -17.4497 0.81219E+00 -0.0903 8 H4SiO4 0.24847E-04 -4.6047 0.24847E-04 -4.6047 0.10000E+01 0.0000 9 Ca++ 0.17104E-04 -4.7669 0.15440E-04 -4.8114 0.90267E+00 -0.0445 10 Mg++ 0.18998E-05 -5.7213 0.17147E-05 -5.7658 0.90259E+00 -0.0445 11 Fe++ 0.20631E-06 -6.6855 0.18622E-06 -6.7300 0.90261E+00 -0.0445 12 K+ 0.50937E-06 -6.2930 0.48989E-06 -6.3099 0.96176E+00 -0.0169 13 Na+ 0.16308E-03 -3.7876 0.15684E-03 -3.8046 0.96173E+00 -0.0169 14 Mn++ 0.40652E-07 -7.3909 0.36694E-07 -7.4354 0.90263E+00 -0.0445 15 HPO4-- 0.36315E-08 -8.4399 0.32785E-08 -8.4843 0.90279E+00 -0.0444 16 HSiO3- 0.14352E-06 -6.8431 0.13803E-06 -6.8600 0.96173E+00 -0.0169 17 Ca(HSiO3)+ 0.50462E-10 -10.2970 0.48533E-10 -10.3140 0.96177E+00 -0.0169 18 Mg(HSiO3)+ 0.69746E-11 -11.1565 0.67079E-11 -11.1734 0.96177E+00 -0.0169 19 NaHSiO3,aq 0.35011E-09 -9.4558 0.35011E-09 -9.4558 0.10000E+01 0.0000 20 AlO+ 0.17776E-10 -10.7502 0.17097E-10 -10.7671 0.96177E+00 -0.0169 21 AlOH+2 0.15853E-13 -13.7999 0.14309E-13 -13.8444 0.90264E+00 -0.0445 22 HAlO2,aq 0.20256E-07 -7.6935 0.20256E-07 -7.6935 0.10000E+01 0.0000 23 AlO2- 0.27738E-06 -6.5569 0.26675E-06 -6.5739 0.96170E+00 -0.0170 24 CH4,aq 0.29505E-13 -13.5301 0.29503E-13 -13.5301 0.99992E+00 0.0000 29 CO,aq 0.37856E-15 -15.4219 0.37856E-15 -15.4219 0.10000E+01 0.0000 30 CO2,aq 0.33531E-05 -5.4746 0.33528E-05 -5.4746 0.99992E+00 0.0000 31 CO3-2 0.53735E-08 -8.2697 0.48509E-08 -8.3142 0.90275E+00 -0.0444 32 CaCO3,aq 0.93913E-09 -9.0273 0.93913E-09 -9.0273 0.10000E+01 0.0000 33 Ca(HCO3)+ 0.38254E-08 -8.4173 0.36791E-08 -8.4343 0.96177E+00 -0.0169 34 CaCl+ 0.34471E-08 -8.4625 0.33153E-08 -8.4795 0.96177E+00 -0.0169 35 CaCl2,aq 0.10451E-12 -12.9809 0.10451E-12 -12.9809 0.10000E+01 0.0000 36 CaOH+ 0.68067E-08 -8.1671 0.65465E-08 -8.1840 0.96177E+00 -0.0169 37 CaSO4,aq 0.11186E-06 -6.9513 0.11186E-06 -6.9513 0.10000E+01 0.0000 38 HCl,aq 0.40868E-11 -11.3886 0.40868E-11 -11.3886 0.10000E+01 0.0000 43 FeCl+ 0.40663E-10 -10.3908 0.39108E-10 -10.4077 0.96177E+00 -0.0169 44 FeCl2,aq 0.16429E-18 -18.7844 0.16429E-18 -18.7844 0.10000E+01 0.0000 46 FeO,aq 0.25616E-09 -9.5915 0.25616E-09 -9.5915 0.10000E+01 0.0000 47 FeOH+ 0.37495E-07 -7.4260 0.36062E-07 -7.4430 0.96177E+00 -0.0169 48 HFeO2- 0.16580E-10 -10.7804 0.15945E-10 -10.7974 0.96173E+00 -0.0169 49 FeO+ 0.13340E-11 -11.8748 0.12830E-11 -11.8918 0.96177E+00 -0.0169 50 FeOH+2 0.45626E-16 -16.3408 0.41184E-16 -16.3853 0.90264E+00 -0.0445 51 FeO2- 0.96616E-11 -11.0150 0.92918E-11 -11.0319 0.96173E+00 -0.0169 52 HFeO2,aq 0.19864E-09 -9.7019 0.19864E-09 -9.7019 0.10000E+01 0.0000 53 H2,aq 0.44949E-08 -8.3473 0.44946E-08 -8.3473 0.99992E+00 0.0000 54 KCl,aq 0.11781E-11 -11.9288 0.11781E-11 -11.9288 0.10000E+01 0.0000 55 KHSO4,aq 0.53120E-17 -17.2747 0.53120E-17 -17.2747 0.10000E+01 0.0000 56 KOH,aq 0.12447E-11 -11.9049 0.12447E-11 -11.9049 0.10000E+01 0.0000 57 KSO4- 0.18035E-09 -9.7439 0.17345E-09 -9.7608 0.96173E+00 -0.0169 58 MgCO3,aq 0.26143E-10 -10.5826 0.26143E-10 -10.5826 0.10000E+01 0.0000 59 Mg(HCO3)+ 0.43411E-09 -9.3624 0.41751E-09 -9.3793 0.96177E+00 -0.0169 60 MgCl+ 0.34697E-09 -9.4597 0.33371E-09 -9.4766 0.96177E+00 -0.0169 61 MgOH+ 0.41830E-08 -8.3785 0.40231E-08 -8.3954 0.96177E+00 -0.0169 63 MnO,aq 0.13450E-11 -11.8713 0.13450E-11 -11.8713 0.10000E+01 0.0000 64 MnOH+ 0.68636E-09 -9.1634 0.66011E-09 -9.1804 0.96177E+00 -0.0169 66 HMnO2- 0.60493E-16 -16.2183 0.58178E-16 -16.2352 0.96173E+00 -0.0169 69 MnCl+ 0.31173E-10 -10.5062 0.29981E-10 -10.5232 0.96177E+00 -0.0169 70 MnSO4,aq 0.24169E-09 -9.6167 0.24169E-09 -9.6167 0.10000E+01 0.0000 71 NaCl,aq 0.68963E-08 -8.1614 0.68963E-08 -8.1614 0.10000E+01 0.0000 72 NaOH,aq 0.40089E-09 -9.3970 0.40089E-09 -9.3970 0.10000E+01 0.0000 74 OH- 0.35742E-05 -5.4468 0.34373E-05 -5.4638 0.96170E+00 -0.0170 79 HPO3-2 0.50867E-19 -19.2936 0.45920E-19 -19.3380 0.90275E+00 -0.0444 81 H2PO3- 0.16094E-19 -19.7933 0.15478E-19 -19.8103 0.96173E+00 -0.0169 82 H3PO4,aq 0.64784E-12 -12.1885 0.64784E-12 -12.1885 0.10000E+01 0.0000 83 H2PO4- 0.10570E-07 -7.9759 0.10166E-07 -7.9929 0.96175E+00 -0.0169 84 PO4-3 0.19576E-13 -13.7083 0.15914E-13 -13.7982 0.81293E+00 -0.0899 87 H2P2O7-2 0.89760E-17 -17.0469 0.81031E-17 -17.0913 0.90275E+00 -0.0444 88 HP2O7-3 0.11852E-16 -16.9262 0.96259E-17 -17.0166 0.81219E+00 -0.0903 89 P2O7-4 0.19520E-19 -19.7095 0.13681E-19 -19.8639 0.70086E+00 -0.1544 90 H2S,aq 0.38566E-07 -7.4138 0.38563E-07 -7.4138 0.99992E+00 0.0000 91 S2-2 0.30093E-16 -16.5215 0.27166E-16 -16.5660 0.90275E+00 -0.0444 96 SO2,aq 0.12939E-16 -16.8881 0.12939E-16 -16.8881 0.10000E+01 0.0000 97 SO3-2 0.14758E-13 -13.8310 0.13326E-13 -13.8753 0.90300E+00 -0.0443 98 HSO3- 0.14583E-12 -12.8362 0.14025E-12 -12.8531 0.96173E+00 -0.0169 99 HSO4- 0.38428E-08 -8.4154 0.36959E-08 -8.4323 0.96178E+00 -0.0169 101 S2O3-2 0.11449E-13 -13.9412 0.10336E-13 -13.9857 0.90275E+00 -0.0444 102 HS2O3- 0.32299E-18 -18.4908 0.31063E-18 -18.5078 0.96173E+00 -0.0169 Charge balance for all species = 0.7000E-15 Component Molality Aq.molality ppm log[A(N)/A(H+)**Z] (total) 1 H+ 0.1747569E-06 -.1365617E-05 -.1376443E-02 0.0000 2 H2O 0.1000000E+01 0.5550825E+02 0.9999849E+06 0.0000 3 Cl- 0.1379635E-03 0.1379743E-03 0.4891540E+01 2.8973 4 SO4-- 0.2527261E-04 0.2538764E-04 0.2438746E+01 8.9072 5 HCO3- 0.9706314E-05 0.1307001E-04 0.7974852E+00 1.7446 6 HS- 0.7718586E-07 0.1168498E-06 0.3864408E-02 -0.3549 7 Al+++ 0.4371682E-17 0.2976493E-06 0.8030923E-02 2.8737 8 H4SiO4 0.2484677E-04 0.2499070E-04 0.2401960E+01 -4.6047 9 Ca++ 0.1710449E-04 0.1723142E-04 0.6905919E+00 8.7376 10 Mg++ 0.1899766E-05 0.1904764E-05 0.4630802E-01 7.7831 11 Fe++ 0.2063074E-06 0.2443256E-06 0.1364468E-01 6.8189 12 K+ 0.5093718E-06 0.5095546E-06 0.1992435E-01 0.4646 13 Na+ 0.1630761E-03 0.1630837E-03 0.3749214E+01 2.9699 14 Mn++ 0.4065210E-07 0.4161267E-07 0.2286087E-02 6.1135 15 HPO4-- 0.3631468E-08 0.1420220E-07 0.1363095E-02 5.0646 Component Tot moles Aq. moles Solid moles Gas moles 1 H+ -.2670044E-04 -.1365616E-05 -.2533482E-04 0.0000000E+00 2 H2O 0.5550822E+02 0.5550820E+02 0.1652316E-04 0.0000000E+00 3 Cl- 0.1379742E-03 0.1379742E-03 0.0000000E+00 0.0000000E+00 4 SO4-- 0.2557098E-04 0.2538762E-04 0.1833619E-06 0.0000000E+00 5 HCO3- 0.1307000E-04 0.1307000E-04 0.0000000E+00 0.0000000E+00 6 HS- -.6651218E-07 0.1168497E-06 -.1833619E-06 0.0000000E+00 7 Al+++ 0.7825780E-05 0.2976491E-06 0.7528131E-05 0.0000000E+00 8 H4SiO4 0.2499068E-04 0.2499068E-04 0.0000000E+00 0.0000000E+00 9 Ca++ 0.1723140E-04 0.1723140E-04 0.0000000E+00 0.0000000E+00 10 Mg++ 0.1904762E-05 0.1904762E-05 0.0000000E+00 0.0000000E+00 11 Fe++ 0.1711221E-05 0.2443254E-06 0.1466895E-05 0.0000000E+00 12 K+ 0.5095541E-06 0.5095541E-06 0.0000000E+00 0.0000000E+00 13 Na+ 0.1630836E-03 0.1630836E-03 0.0000000E+00 0.0000000E+00 14 Mn++ 0.4161263E-07 0.4161263E-07 0.0000000E+00 0.0000000E+00 15 HPO4-- 0.1420218E-07 0.1420218E-07 0.0000000E+00 0.0000000E+00 Chg. balance for solid moles: -.1694E-20 Mass of aqueous solution: 0.100001E+04 g Temperature = 100.00 C Pressure = 50.00 bar Mixer frac. = 0.0024000 Log Log Vol Gas or mineral Moles Moles Grams Grams Wt.% (cm3) diaspore 0.7528E-05 -5.123 0.4516E-03 -3.345 79.41 0.1344E-03 hematite 0.7334E-06 -6.135 0.1171E-03 -3.931 20.59 0.2220E-04 Partial press. Fugacity coef Log fugacity Gas or Mineral Mole fraction or activity Activity coef Log activity diaspore 0.1000E+01 0.1000E+01 1.0000 0.000 hematite 0.1000E+01 0.1000E+01 1.0000 0.000 Solid products produced: Mass = 0.000569 g Volume = 0.000157 cm3 Porosity: 99.9844% V(tot) - V(min): 0.10008E+01 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: 0.0024000 g log = -2.6198 Original solution: 1000.0102895 g Original solution / Rock added: 416670.95 (Water/Rock Ratio), log = 5.6198 Gas composition at saturation ( 2 iterations) ------------------------------------------------- Temperature: 100.0000 deg.C Sat. pressure: 1.0207 bar Gas Mole fraction phi Fugacity Partial P(bar) H2O,gas 0.9996E+00 0.9859 0.1006E+01 0.1020E+01 CO2,gas 0.3490E-03 1.0071 0.3587E-03 0.3562E-03 CH4,gas 0.4202E-10 1.0125 0.4343E-10 0.4289E-10 H2,gas 0.5778E-05 1.0005 0.5901E-05 0.5898E-05 H2S,gas 0.1043E-05 0.9960 0.1060E-05 0.1064E-05 S2,gas 0.1187E-20 1.0000 0.1211E-20 0.1211E-20 CO,gas 0.5527E-12 1.0000 0.5641E-12 0.5641E-12 SO3,gas 0.2388E-33 1.0000 0.2437E-33 0.2437E-33 SO2,gas 0.5482E-16 1.0000 0.5595E-16 0.5595E-16 HCl,gas 0.7065E-14 1.0000 0.7211E-14 0.7211E-14 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 65 diaspore 2.87 2.87 0.00 0.000 0.30331E-11 90 hematite 12.57 12.57 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 -1.696 0.28965E+04 0.003 2 CO2,gas -6.66 -11.80 -5.14 -1.715 0.87836E+04 -3.445 3 CH4,gas 4.54 -7.52 -12.06 -3.015 0.20594E+05 -10.362 4 H2,gas 8.00 1.07 -6.93 -3.959 0.11829E+05 -5.229 5 H2S,gas -6.23 -13.90 -7.67 -3.837 0.13103E+05 -5.975 6 S2,gas -7.34 -29.95 -22.62 -3.479 0.38616E+05 -20.917 7 CO,gas 3.21 -10.73 -13.95 -4.292 0.23815E+05 -12.249 8 SO3,gas 17.12 -18.19 -35.31 -8.828 0.60294E+05 -33.613 9 SO2,gas 0.83 -17.12 -17.95 -4.787 0.30651E+05 -16.252 10 HCl,gas 5.19 -10.65 -15.84 -7.920 0.27048E+05 -14.142 21 andalusite 5.00 1.14 -3.86 -0.386 0.65889E+04 24 anhydrite -5.32 -9.45 -4.14 -2.068 0.70627E+04 32 apatite-OH -18.15 -22.41 -4.26 -0.328 0.72712E+04 35 aragonite 0.97 -3.07 -4.03 -1.344 0.68867E+04 36 brucite 12.57 7.78 -4.79 -0.957 0.81710E+04 37 calcite 0.81 -3.07 -3.88 -1.293 0.66225E+04 40 carpholite-Mg 8.58 4.32 -4.26 -0.284 0.72756E+04 41 carpholite-Fe 6.71 3.36 -3.36 -0.224 0.57299E+04 47 daphnite 28.97 26.03 -2.94 -0.092 0.50154E+04 50 chloritoid-Mg 13.20 8.93 -4.27 -0.285 0.72942E+04 51 chloritoid-Fe 9.17 7.96 -1.21 -0.081 0.20695E+04 52 chloritoid-Mn 11.40 7.26 -4.14 -0.276 0.70773E+04 54 coesite -2.38 -4.60 -2.23 -0.743 0.38054E+04 59 corundum 8.38 5.75 -2.64 -0.240 0.45004E+04 61 cristobalite -2.56 -4.60 -2.04 -0.681 0.34907E+04 83 gibbsite 4.08 2.87 -1.21 -0.172 0.20585E+04 87 greenalite 16.14 11.25 -4.89 -0.408 0.83532E+04 92 hercynite 17.28 12.57 -4.71 -0.314 0.80460E+04 98 kaolinite -1.33 -3.46 -2.13 -0.194 0.36357E+04 99 kyanite 4.88 1.14 -3.73 -0.373 0.63748E+04 102 lawsonite 9.62 5.28 -4.34 -0.289 0.74114E+04 106 magnesite 0.69 -4.02 -4.71 -1.571 0.80453E+04 107 magnetite 20.09 19.39 -0.70 -0.057 0.11991E+04 128 periclase-Fe 11.63 6.82 -4.81 -1.202 0.82089E+04 142 pyrite -21.25 -22.06 -0.81 -0.191 0.13891E+04 143 pyrrhotite -4.26 -7.08 -2.82 -0.942 0.48229E+04 144 pyrrhotiteFe0.875 -6.02 -8.07 -2.05 -0.755 0.35058E+04 147 quartz -2.99 -4.60 -1.62 -0.538 0.27581E+04 151 rhodochrosite -0.98 -5.69 -4.71 -1.572 0.80499E+04 155 siderite -2.61 -4.99 -2.38 -0.792 0.40591E+04 156 sillimanite 5.26 1.14 -4.12 -0.412 0.70328E+04 177 topaz-H 4.62 1.14 -3.48 -0.316 0.59349E+04 178 tridymite -2.63 -4.60 -1.98 -0.659 0.33780E+04 181 troilite-low -4.41 -7.08 -2.67 -0.891 0.45657E+04 192 akaganeite 7.75 6.28 -1.47 -0.318 0.25125E+04 199 chalcedony -2.80 -4.60 -1.80 -0.601 0.30774E+04 214 gypsum -4.96 -9.45 -4.50 -1.125 0.76802E+04 233 boehmite 4.41 2.87 -1.53 -0.255 0.26169E+04 235 ferrous-oxide 9.81 6.82 -2.99 -0.748 0.51099E+04 240 silica-amorphous -2.09 -4.60 -2.51 -0.838 0.42915E+04 Calculations done for 100.0000 Deg. C; 50.0000 bar Next reactant titration increment of: 0.0001000 g Current total amount of reactant added: 0.0024000 g New total amount of reactant added: 0.0025000 g Solids and gases carried Charge balance check after fractionation or titration: TBAL = 0.7000E-15 ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ 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 = 0.0025000 Water: Moles liquid = 0.5551E+02 kg liquid = 0.1000E+01 Moles total = 0.5551E+02 kg total = 0.1000E+01 Activity = 1.0000 Stoichiometric ionic strength = .2488597E-03 Osmotic coef. = 0.9905 True ionic strength = .2474882E-03 Chg. balance for total moles = 0.7000E-15 Max. difference allowed = 0.1380E-07 Log Log Log Species(n) Molality Molality Activity Activity Gamma Gamma 1 H+ 0.16254E-06 -6.7890 0.15634E-06 -6.8059 0.96181E+00 -0.0169 2 H2O 0.10000E+01 0.0000 0.10000E+01 0.0000 3 Cl- 0.13796E-03 -3.8602 0.13268E-03 -3.8772 0.96171E+00 -0.0170 4 SO4-- 0.25263E-04 -4.5975 0.22805E-04 -4.6420 0.90269E+00 -0.0445 5 HCO3- 0.98833E-05 -5.0051 0.95050E-05 -5.0220 0.96173E+00 -0.0169 6 HS- 0.85384E-07 -7.0686 0.82114E-07 -7.0856 0.96171E+00 -0.0170 7 Al+++ 0.35182E-17 -17.4537 0.28567E-17 -17.5441 0.81199E+00 -0.0904 8 H4SiO4 0.25871E-04 -4.5872 0.25871E-04 -4.5872 0.10000E+01 0.0000 9 Ca++ 0.17218E-04 -4.7640 0.15541E-04 -4.8085 0.90257E+00 -0.0445 10 Mg++ 0.19786E-05 -5.7036 0.17857E-05 -5.7482 0.90250E+00 -0.0446 11 Fe++ 0.18241E-06 -6.7390 0.16463E-06 -6.7835 0.90252E+00 -0.0445 12 K+ 0.53060E-06 -6.2752 0.51029E-06 -6.2922 0.96174E+00 -0.0169 13 Na+ 0.16320E-03 -3.7873 0.15695E-03 -3.8042 0.96170E+00 -0.0170 14 Mn++ 0.42293E-07 -7.3737 0.38171E-07 -7.4183 0.90253E+00 -0.0445 15 HPO4-- 0.39907E-08 -8.3990 0.36024E-08 -8.4434 0.90270E+00 -0.0445 16 HSiO3- 0.16067E-06 -6.7941 0.15452E-06 -6.8110 0.96171E+00 -0.0170 17 Ca(HSiO3)+ 0.56862E-10 -10.2452 0.54687E-10 -10.2621 0.96174E+00 -0.0169 18 Mg(HSiO3)+ 0.81313E-11 -11.0898 0.78202E-11 -11.1068 0.96174E+00 -0.0169 19 NaHSiO3,aq 0.39224E-09 -9.4064 0.39224E-09 -9.4064 0.10000E+01 0.0000 20 AlO+ 0.16534E-10 -10.7816 0.15901E-10 -10.7986 0.96174E+00 -0.0169 21 AlOH+2 0.13715E-13 -13.8628 0.12378E-13 -13.9073 0.90255E+00 -0.0445 22 HAlO2,aq 0.20256E-07 -7.6935 0.20256E-07 -7.6935 0.10000E+01 0.0000 23 AlO2- 0.29823E-06 -6.5254 0.28680E-06 -6.5424 0.96167E+00 -0.0170 24 CH4,aq 0.33249E-13 -13.4782 0.33246E-13 -13.4783 0.99992E+00 0.0000 29 CO,aq 0.37443E-15 -15.4266 0.37443E-15 -15.4266 0.10000E+01 0.0000 30 CO2,aq 0.31754E-05 -5.4982 0.31752E-05 -5.4982 0.99992E+00 0.0000 31 CO3-2 0.58832E-08 -8.2304 0.53105E-08 -8.2749 0.90266E+00 -0.0445 32 CaCO3,aq 0.10348E-08 -8.9851 0.10348E-08 -8.9851 0.10000E+01 0.0000 33 Ca(HCO3)+ 0.39205E-08 -8.4067 0.37705E-08 -8.4236 0.96174E+00 -0.0169 34 CaCl+ 0.34696E-08 -8.4597 0.33368E-08 -8.4767 0.96174E+00 -0.0169 35 CaCl2,aq 0.10518E-12 -12.9781 0.10518E-12 -12.9781 0.10000E+01 0.0000 36 CaOH+ 0.73664E-08 -8.1327 0.70845E-08 -8.1497 0.96174E+00 -0.0169 37 CaSO4,aq 0.11254E-06 -6.9487 0.11254E-06 -6.9487 0.10000E+01 0.0000 38 HCl,aq 0.38010E-11 -11.4201 0.38010E-11 -11.4201 0.10000E+01 0.0000 43 FeCl+ 0.35949E-10 -10.4443 0.34573E-10 -10.4613 0.96174E+00 -0.0169 44 FeCl2,aq 0.14523E-18 -18.8379 0.14523E-18 -18.8379 0.10000E+01 0.0000 46 FeO,aq 0.26179E-09 -9.5821 0.26179E-09 -9.5821 0.10000E+01 0.0000 47 FeOH+ 0.35641E-07 -7.4481 0.34277E-07 -7.4650 0.96174E+00 -0.0169 48 HFeO2- 0.18218E-10 -10.7395 0.17521E-10 -10.7564 0.96171E+00 -0.0170 49 FeO+ 0.12408E-11 -11.9063 0.11933E-11 -11.9233 0.96174E+00 -0.0169 50 FeOH+2 0.39473E-16 -16.4037 0.35626E-16 -16.4482 0.90255E+00 -0.0445 51 FeO2- 0.10388E-10 -10.9835 0.99903E-11 -11.0004 0.96171E+00 -0.0170 52 HFeO2,aq 0.19864E-09 -9.7019 0.19864E-09 -9.7019 0.10000E+01 0.0000 53 H2,aq 0.46946E-08 -8.3284 0.46943E-08 -8.3284 0.99992E+00 0.0000 54 KCl,aq 0.12271E-11 -11.9111 0.12271E-11 -11.9111 0.10000E+01 0.0000 55 KHSO4,aq 0.51438E-17 -17.2887 0.51438E-17 -17.2887 0.10000E+01 0.0000 56 KOH,aq 0.13939E-11 -11.8558 0.13939E-11 -11.8558 0.10000E+01 0.0000 57 KSO4- 0.18777E-09 -9.7264 0.18058E-09 -9.7433 0.96171E+00 -0.0170 58 MgCO3,aq 0.29804E-10 -10.5257 0.29804E-10 -10.5257 0.10000E+01 0.0000 59 Mg(HCO3)+ 0.46031E-09 -9.3369 0.44270E-09 -9.3539 0.96174E+00 -0.0169 60 MgCl+ 0.36133E-09 -9.4421 0.34751E-09 -9.4590 0.96174E+00 -0.0169 61 MgOH+ 0.46837E-08 -8.3294 0.45045E-08 -8.3464 0.96174E+00 -0.0169 63 MnO,aq 0.16174E-11 -11.7912 0.16174E-11 -11.7912 0.10000E+01 0.0000 64 MnOH+ 0.76769E-09 -9.1148 0.73832E-09 -9.1318 0.96174E+00 -0.0169 66 HMnO2- 0.78216E-16 -16.1067 0.75220E-16 -16.1237 0.96171E+00 -0.0170 69 MnCl+ 0.32428E-10 -10.4891 0.31187E-10 -10.5060 0.96174E+00 -0.0169 70 MnSO4,aq 0.25130E-09 -9.5998 0.25130E-09 -9.5998 0.10000E+01 0.0000 71 NaCl,aq 0.69012E-08 -8.1611 0.69012E-08 -8.1611 0.10000E+01 0.0000 72 NaOH,aq 0.43134E-09 -9.3652 0.43134E-09 -9.3652 0.10000E+01 0.0000 74 OH- 0.38430E-05 -5.4153 0.36957E-05 -5.4323 0.96167E+00 -0.0170 79 HPO3-2 0.58382E-19 -19.2337 0.52699E-19 -19.2782 0.90266E+00 -0.0445 81 H2PO3- 0.17179E-19 -19.7650 0.16521E-19 -19.7820 0.96171E+00 -0.0170 82 H3PO4,aq 0.61578E-12 -12.2106 0.61578E-12 -12.2106 0.10000E+01 0.0000 83 H2PO4- 0.10803E-07 -7.9665 0.10389E-07 -7.9834 0.96172E+00 -0.0170 84 PO4-3 0.23132E-13 -13.6358 0.18800E-13 -13.7258 0.81273E+00 -0.0901 87 H2P2O7-2 0.93758E-17 -17.0280 0.84631E-17 -17.0725 0.90266E+00 -0.0445 88 HP2O7-3 0.13312E-16 -16.8758 0.10809E-16 -16.9662 0.81200E+00 -0.0904 89 P2O7-4 0.23578E-19 -19.6275 0.16518E-19 -19.7820 0.70057E+00 -0.1546 90 H2S,aq 0.39679E-07 -7.4014 0.39676E-07 -7.4015 0.99992E+00 0.0000 91 S2-2 0.35260E-16 -16.4527 0.31827E-16 -16.4972 0.90266E+00 -0.0445 96 SO2,aq 0.11685E-16 -16.9324 0.11685E-16 -16.9324 0.10000E+01 0.0000 97 SO3-2 0.15407E-13 -13.8123 0.13911E-13 -13.8566 0.90290E+00 -0.0444 98 HSO3- 0.14159E-12 -12.8490 0.13617E-12 -12.8659 0.96171E+00 -0.0170 99 HSO4- 0.35724E-08 -8.4470 0.34358E-08 -8.4640 0.96176E+00 -0.0169 101 S2O3-2 0.11775E-13 -13.9291 0.10628E-13 -13.9735 0.90266E+00 -0.0445 102 HS2O3- 0.30893E-18 -18.5101 0.29710E-18 -18.5271 0.96171E+00 -0.0170 Charge balance for all species = 0.7000E-15 Component Molality Aq.molality ppm log[A(N)/A(H+)**Z] (total) 1 H+ 0.1625427E-06 -.1923849E-05 -.1939099E-02 0.0000 2 H2O 0.1000000E+01 0.5550825E+02 0.9999848E+06 0.0000 3 Cl- 0.1379635E-03 0.1379743E-03 0.4891540E+01 2.9287 4 SO4-- 0.2526288E-04 0.2537828E-04 0.2437847E+01 8.9699 5 HCO3- 0.9883255E-05 0.1307001E-04 0.7974852E+00 1.7839 6 HS- 0.8538383E-07 0.1262099E-06 0.4173960E-02 -0.2796 7 Al+++ 0.3518173E-17 0.3185073E-06 0.8593692E-02 2.8737 8 H4SiO4 0.2587085E-04 0.2603198E-04 0.2502042E+01 -4.5872 9 Ca++ 0.1721805E-04 0.1734643E-04 0.6952013E+00 8.8034 10 Mg++ 0.1978585E-05 0.1984129E-05 0.4823751E-01 7.8637 11 Fe++ 0.1824080E-06 0.2185751E-06 0.1220661E-01 6.8284 12 K+ 0.5305956E-06 0.5307860E-06 0.2075453E-01 0.5138 13 Na+ 0.1632015E-03 0.1632093E-03 0.3752099E+01 3.0017 14 Mn++ 0.4229350E-07 0.4334653E-07 0.2381341E-02 6.1936 15 HPO4-- 0.3990683E-08 0.1479395E-07 0.1419891E-02 5.1685 Component Tot moles Aq. moles Solid moles Gas moles 1 H+ -.2835629E-04 -.1923848E-05 -.2643244E-04 0.0000000E+00 2 H2O 0.5550822E+02 0.5550820E+02 0.1723064E-04 0.0000000E+00 3 Cl- 0.1379742E-03 0.1379742E-03 0.0000000E+00 0.0000000E+00 4 SO4-- 0.2557375E-04 0.2537826E-04 0.1954933E-06 0.0000000E+00 5 HCO3- 0.1307000E-04 0.1307000E-04 0.0000000E+00 0.0000000E+00 6 HS- -.6928352E-07 0.1262098E-06 -.1954933E-06 0.0000000E+00 7 Al+++ 0.8151854E-05 0.3185070E-06 0.7833347E-05 0.0000000E+00 8 H4SiO4 0.2603196E-04 0.2603196E-04 0.0000000E+00 0.0000000E+00 9 Ca++ 0.1734642E-04 0.1734642E-04 0.0000000E+00 0.0000000E+00 10 Mg++ 0.1984127E-05 0.1984127E-05 0.0000000E+00 0.0000000E+00 11 Fe++ 0.1782521E-05 0.2185749E-06 0.1563947E-05 0.0000000E+00 12 K+ 0.5307856E-06 0.5307856E-06 0.0000000E+00 0.0000000E+00 13 Na+ 0.1632091E-03 0.1632091E-03 0.0000000E+00 0.0000000E+00 14 Mn++ 0.4334649E-07 0.4334649E-07 0.0000000E+00 0.0000000E+00 15 HPO4-- 0.1479394E-07 0.1479394E-07 0.0000000E+00 0.0000000E+00 Chg. balance for solid moles: 0.2118E-20 Mass of aqueous solution: 0.100001E+04 g Temperature = 100.00 C Pressure = 50.00 bar Mixer frac. = 0.0025000 Log Log Vol Gas or mineral Moles Moles Grams Grams Wt.% (cm3) diaspore 0.7833E-05 -5.106 0.4699E-03 -3.328 79.00 0.1399E-03 hematite 0.7820E-06 -6.107 0.1249E-03 -3.904 21.00 0.2367E-04 Partial press. Fugacity coef Log fugacity Gas or Mineral Mole fraction or activity Activity coef Log activity diaspore 0.1000E+01 0.1000E+01 1.0000 0.000 hematite 0.1000E+01 0.1000E+01 1.0000 0.000 Solid products produced: Mass = 0.000595 g Volume = 0.000164 cm3 Porosity: 99.9837% V(tot) - V(min): 0.10008E+01 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: 0.0025000 g log = -2.6021 Original solution: 1000.0102895 g Original solution / Rock added: 400004.12 (Water/Rock Ratio), log = 5.6021 Gas composition at saturation ( 2 iterations) ------------------------------------------------- Temperature: 100.0000 deg.C Sat. pressure: 1.0206 bar Gas Mole fraction phi Fugacity Partial P(bar) H2O,gas 0.9997E+00 0.9859 0.1006E+01 0.1020E+01 CO2,gas 0.3305E-03 1.0071 0.3397E-03 0.3373E-03 CH4,gas 0.4735E-10 1.0125 0.4894E-10 0.4833E-10 H2,gas 0.6035E-05 1.0005 0.6163E-05 0.6160E-05 H2S,gas 0.1073E-05 0.9960 0.1091E-05 0.1095E-05 S2,gas 0.1152E-20 1.0000 0.1176E-20 0.1176E-20 CO,gas 0.5467E-12 1.0000 0.5580E-12 0.5580E-12 SO3,gas 0.2065E-33 1.0000 0.2107E-33 0.2107E-33 SO2,gas 0.4951E-16 1.0000 0.5053E-16 0.5053E-16 HCl,gas 0.6571E-14 1.0000 0.6707E-14 0.6707E-14 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 65 diaspore 2.87 2.87 0.00 0.000 -0.30331E-11 90 hematite 12.57 12.57 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 -1.696 0.28965E+04 0.003 2 CO2,gas -6.66 -11.83 -5.17 -1.723 0.88240E+04 -3.469 3 CH4,gas 4.54 -7.47 -12.01 -3.002 0.20506E+05 -10.310 4 H2,gas 8.00 1.09 -6.91 -3.948 0.11797E+05 -5.210 5 H2S,gas -6.23 -13.89 -7.66 -3.831 0.13081E+05 -5.962 6 S2,gas -7.34 -29.96 -22.63 -3.481 0.38638E+05 -20.930 7 CO,gas 3.21 -10.74 -13.95 -4.293 0.23823E+05 -12.253 8 SO3,gas 17.12 -18.25 -35.38 -8.844 0.60402E+05 -33.676 9 SO2,gas 0.83 -17.16 -18.00 -4.799 0.30727E+05 -16.296 10 HCl,gas 5.19 -10.68 -15.87 -7.936 0.27102E+05 -14.173 21 andalusite 5.00 1.16 -3.84 -0.384 0.65589E+04 24 anhydrite -5.32 -9.45 -4.13 -2.067 0.70582E+04 32 apatite-OH -18.15 -22.15 -4.00 -0.307 0.68225E+04 35 aragonite 0.97 -3.02 -3.99 -1.330 0.68148E+04 36 brucite 12.57 7.86 -4.70 -0.941 0.80335E+04 37 calcite 0.81 -3.02 -3.84 -1.279 0.65506E+04 40 carpholite-Mg 8.58 4.44 -4.15 -0.276 0.70781E+04 41 carpholite-Fe 6.71 3.40 -3.31 -0.221 0.56539E+04 47 daphnite 28.97 26.13 -2.84 -0.089 0.48450E+04 50 chloritoid-Mg 13.20 9.02 -4.17 -0.278 0.71267E+04 51 chloritoid-Fe 9.17 7.99 -1.19 -0.079 0.20234E+04 52 chloritoid-Mn 11.40 7.35 -4.05 -0.270 0.69106E+04 54 coesite -2.38 -4.59 -2.21 -0.737 0.37754E+04 59 corundum 8.38 5.75 -2.64 -0.240 0.45004E+04 61 cristobalite -2.56 -4.59 -2.03 -0.676 0.34608E+04 78 fayalite 14.05 9.07 -4.98 -0.711 0.84966E+04 83 gibbsite 4.08 2.87 -1.21 -0.172 0.20585E+04 87 greenalite 16.14 11.31 -4.83 -0.402 0.82449E+04 92 hercynite 17.28 12.58 -4.70 -0.314 0.80298E+04 98 kaolinite -1.33 -3.43 -2.09 -0.190 0.35758E+04 99 kyanite 4.88 1.16 -3.72 -0.372 0.63448E+04 102 lawsonite 9.62 5.38 -4.24 -0.283 0.72392E+04 106 magnesite 0.69 -3.96 -4.65 -1.552 0.79481E+04 107 magnetite 20.09 19.39 -0.69 -0.057 0.11830E+04 128 periclase-Fe 11.63 6.83 -4.80 -1.200 0.81928E+04 142 pyrite -21.25 -22.05 -0.80 -0.188 0.13631E+04 143 pyrrhotite -4.26 -7.06 -2.80 -0.934 0.47857E+04 144 pyrrhotiteFe0.875 -6.02 -8.05 -2.03 -0.748 0.34747E+04 147 quartz -2.99 -4.59 -1.60 -0.533 0.27281E+04 151 rhodochrosite -0.98 -5.63 -4.66 -1.553 0.79535E+04 155 siderite -2.61 -5.00 -2.39 -0.797 0.40834E+04 156 sillimanite 5.26 1.16 -4.10 -0.410 0.70029E+04 177 topaz-H 4.62 1.16 -3.46 -0.314 0.59049E+04 178 tridymite -2.63 -4.59 -1.96 -0.654 0.33481E+04 181 troilite-low -4.41 -7.06 -2.65 -0.884 0.45285E+04 192 akaganeite 7.75 6.28 -1.47 -0.318 0.25125E+04 199 chalcedony -2.80 -4.59 -1.78 -0.595 0.30474E+04 214 gypsum -4.96 -9.45 -4.50 -1.124 0.76758E+04 233 boehmite 4.41 2.87 -1.53 -0.255 0.26169E+04 235 ferrous-oxide 9.81 6.83 -2.98 -0.746 0.50937E+04 240 silica-amorphous -2.09 -4.59 -2.50 -0.832 0.42616E+04 Calculations done for 100.0000 Deg. C; 50.0000 bar Next reactant titration increment of: 0.0001000 g Current total amount of reactant added: 0.0025000 g New total amount of reactant added: 0.0026000 g Solids and gases carried Charge balance check after fractionation or titration: TBAL = 0.7000E-15 ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ 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 = 0.0026000 Water: Moles liquid = 0.5551E+02 kg liquid = 0.1000E+01 Moles total = 0.5551E+02 kg total = 0.1000E+01 Activity = 1.0000 Stoichiometric ionic strength = .2493665E-03 Osmotic coef. = 0.9905 True ionic strength = .2481342E-03 Chg. balance for total moles = 0.7000E-15 Max. difference allowed = 0.1380E-07 Log Log Log Species(n) Molality Molality Activity Activity Gamma Gamma 1 H+ 0.15141E-06 -6.8198 0.14563E-06 -6.8368 0.96179E+00 -0.0169 2 H2O 0.10000E+01 0.0000 0.10000E+01 0.0000 3 Cl- 0.13796E-03 -3.8602 0.13268E-03 -3.8772 0.96168E+00 -0.0170 4 SO4-- 0.25254E-04 -4.5977 0.22794E-04 -4.6422 0.90260E+00 -0.0445 5 HCO3- 0.10050E-04 -4.9978 0.96653E-05 -5.0148 0.96171E+00 -0.0170 6 HS- 0.93507E-07 -7.0292 0.89924E-07 -7.0461 0.96168E+00 -0.0170 7 Al+++ 0.28443E-17 -17.5460 0.23090E-17 -17.6366 0.81180E+00 -0.0906 8 H4SiO4 0.26893E-04 -4.5704 0.26893E-04 -4.5704 0.10000E+01 0.0000 9 Ca++ 0.17332E-04 -4.7612 0.15641E-04 -4.8057 0.90248E+00 -0.0446 10 Mg++ 0.20574E-05 -5.6867 0.18566E-05 -5.7313 0.90240E+00 -0.0446 11 Fe++ 0.16154E-06 -6.7917 0.14577E-06 -6.8363 0.90242E+00 -0.0446 12 K+ 0.55182E-06 -6.2582 0.53069E-06 -6.2752 0.96171E+00 -0.0170 13 Na+ 0.16333E-03 -3.7869 0.15707E-03 -3.8039 0.96168E+00 -0.0170 14 Mn++ 0.43928E-07 -7.3573 0.39642E-07 -7.4018 0.90243E+00 -0.0446 15 HPO4-- 0.43691E-08 -8.3596 0.39435E-08 -8.4041 0.90260E+00 -0.0445 16 HSiO3- 0.17931E-06 -6.7464 0.17244E-06 -6.7634 0.96168E+00 -0.0170 17 Ca(HSiO3)+ 0.63869E-10 -10.1947 0.61424E-10 -10.2117 0.96171E+00 -0.0170 18 Mg(HSiO3)+ 0.94347E-11 -11.0253 0.90735E-11 -11.0422 0.96171E+00 -0.0170 19 NaHSiO3,aq 0.43805E-09 -9.3585 0.43805E-09 -9.3585 0.10000E+01 0.0000 20 AlO+ 0.15402E-10 -10.8124 0.14812E-10 -10.8294 0.96171E+00 -0.0170 21 AlOH+2 0.11902E-13 -13.9244 0.10741E-13 -13.9690 0.90245E+00 -0.0446 22 HAlO2,aq 0.20256E-07 -7.6935 0.20256E-07 -7.6935 0.10000E+01 0.0000 23 AlO2- 0.32017E-06 -6.4946 0.30789E-06 -6.5116 0.96165E+00 -0.0170 24 CH4,aq 0.37042E-13 -13.4313 0.37039E-13 -13.4313 0.99992E+00 0.0000 29 CO,aq 0.36935E-15 -15.4326 0.36935E-15 -15.4326 0.10000E+01 0.0000 30 CO2,aq 0.30078E-05 -5.5218 0.30076E-05 -5.5218 0.99992E+00 0.0000 31 CO3-2 0.64230E-08 -8.1923 0.57971E-08 -8.2368 0.90256E+00 -0.0445 32 CaCO3,aq 0.11370E-08 -8.9443 0.11370E-08 -8.9443 0.10000E+01 0.0000 33 Ca(HCO3)+ 0.40126E-08 -8.3966 0.38590E-08 -8.4135 0.96171E+00 -0.0170 34 CaCl+ 0.34921E-08 -8.4569 0.33584E-08 -8.4739 0.96171E+00 -0.0170 35 CaCl2,aq 0.10586E-12 -12.9753 0.10586E-12 -12.9753 0.10000E+01 0.0000 36 CaOH+ 0.79595E-08 -8.0991 0.76548E-08 -8.1161 0.96171E+00 -0.0170 37 CaSO4,aq 0.11321E-06 -6.9461 0.11321E-06 -6.9461 0.10000E+01 0.0000 38 HCl,aq 0.35406E-11 -11.4509 0.35406E-11 -11.4509 0.10000E+01 0.0000 43 FeCl+ 0.31832E-10 -10.4971 0.30613E-10 -10.5141 0.96171E+00 -0.0170 44 FeCl2,aq 0.12859E-18 -18.8908 0.12859E-18 -18.8908 0.10000E+01 0.0000 46 FeO,aq 0.26715E-09 -9.5732 0.26715E-09 -9.5732 0.10000E+01 0.0000 47 FeOH+ 0.33881E-07 -7.4700 0.32584E-07 -7.4870 0.96171E+00 -0.0170 48 HFeO2- 0.19959E-10 -10.6999 0.19194E-10 -10.7168 0.96168E+00 -0.0170 49 FeO+ 0.11558E-11 -11.9371 0.11116E-11 -11.9541 0.96171E+00 -0.0170 50 FeOH+2 0.34255E-16 -16.4653 0.30913E-16 -16.5099 0.90245E+00 -0.0446 51 FeO2- 0.11152E-10 -10.9526 0.10725E-10 -10.9696 0.96168E+00 -0.0170 52 HFeO2,aq 0.19864E-09 -9.7019 0.19864E-09 -9.7019 0.10000E+01 0.0000 53 H2,aq 0.48890E-08 -8.3108 0.48886E-08 -8.3108 0.99992E+00 0.0000 54 KCl,aq 0.12761E-11 -11.8941 0.12761E-11 -11.8941 0.10000E+01 0.0000 55 KHSO4,aq 0.49807E-17 -17.3027 0.49807E-17 -17.3027 0.10000E+01 0.0000 56 KOH,aq 0.15563E-11 -11.8079 0.15563E-11 -11.8079 0.10000E+01 0.0000 57 KSO4- 0.19519E-09 -9.7095 0.18771E-09 -9.7265 0.96168E+00 -0.0170 58 MgCO3,aq 0.33827E-10 -10.4707 0.33827E-10 -10.4707 0.10000E+01 0.0000 59 Mg(HCO3)+ 0.48667E-09 -9.3128 0.46804E-09 -9.3297 0.96171E+00 -0.0170 60 MgCl+ 0.37568E-09 -9.4252 0.36129E-09 -9.4421 0.96171E+00 -0.0170 61 MgOH+ 0.52278E-08 -8.2817 0.50277E-08 -8.2986 0.96171E+00 -0.0170 63 MnO,aq 0.19358E-11 -11.7131 0.19358E-11 -11.7131 0.10000E+01 0.0000 64 MnOH+ 0.85591E-09 -9.0676 0.82315E-09 -9.0845 0.96171E+00 -0.0170 66 HMnO2- 0.10050E-15 -15.9978 0.96649E-16 -16.0148 0.96168E+00 -0.0170 69 MnCl+ 0.33677E-10 -10.4727 0.32388E-10 -10.4896 0.96171E+00 -0.0170 70 MnSO4,aq 0.26086E-09 -9.5836 0.26086E-09 -9.5836 0.10000E+01 0.0000 71 NaCl,aq 0.69062E-08 -8.1608 0.69062E-08 -8.1608 0.10000E+01 0.0000 72 NaOH,aq 0.46340E-09 -9.3340 0.46340E-09 -9.3340 0.10000E+01 0.0000 74 OH- 0.41257E-05 -5.3845 0.39675E-05 -5.4015 0.96165E+00 -0.0170 79 HPO3-2 0.66564E-19 -19.1768 0.60078E-19 -19.2213 0.90256E+00 -0.0445 81 H2PO3- 0.18244E-19 -19.7389 0.17545E-19 -19.7559 0.96168E+00 -0.0170 82 H3PO4,aq 0.58492E-12 -12.2329 0.58492E-12 -12.2329 0.10000E+01 0.0000 83 H2PO4- 0.11016E-07 -7.9580 0.10594E-07 -7.9749 0.96170E+00 -0.0170 84 PO4-3 0.27191E-13 -13.5656 0.22094E-13 -13.6557 0.81254E+00 -0.0902 87 H2P2O7-2 0.97504E-17 -17.0110 0.88003E-17 -17.0555 0.90256E+00 -0.0445 88 HP2O7-3 0.14864E-16 -16.8279 0.12066E-16 -16.9184 0.81180E+00 -0.0905 89 P2O7-4 0.28267E-19 -19.5487 0.19794E-19 -19.7035 0.70027E+00 -0.1547 90 H2S,aq 0.40476E-07 -7.3928 0.40473E-07 -7.3928 0.99992E+00 0.0000 91 S2-2 0.40609E-16 -16.3914 0.36652E-16 -16.4359 0.90256E+00 -0.0445 96 SO2,aq 0.10554E-16 -16.9766 0.10554E-16 -16.9766 0.10000E+01 0.0000 97 SO3-2 0.16039E-13 -13.7948 0.14480E-13 -13.8392 0.90280E+00 -0.0444 98 HSO3- 0.13729E-12 -12.8623 0.13203E-12 -12.8793 0.96168E+00 -0.0170 99 HSO4- 0.33263E-08 -8.4780 0.31990E-08 -8.4950 0.96173E+00 -0.0169 101 S2O3-2 0.12007E-13 -13.9206 0.10837E-13 -13.9651 0.90256E+00 -0.0445 102 HS2O3- 0.29342E-18 -18.5325 0.28218E-18 -18.5495 0.96168E+00 -0.0170 Charge balance for all species = 0.7000E-15 Component Molality Aq.molality ppm log[A(N)/A(H+)**Z] (total) 1 H+ 0.1514139E-06 -.2491174E-05 -.2510921E-02 0.0000 2 H2O 0.1000000E+01 0.5550825E+02 0.9999847E+06 0.0000 3 Cl- 0.1379635E-03 0.1379743E-03 0.4891539E+01 2.9595 4 SO4-- 0.2525351E-04 0.2536931E-04 0.2436985E+01 9.0313 5 HCO3- 0.1005012E-04 0.1307001E-04 0.7974851E+00 1.8220 6 HS- 0.9350721E-07 0.1351795E-06 0.4470598E-02 -0.2094 7 Al+++ 0.2844346E-17 0.3404434E-06 0.9185554E-02 2.8737 8 H4SiO4 0.2689344E-04 0.2707326E-04 0.2602123E+01 -4.5704 9 Ca++ 0.1733157E-04 0.1746145E-04 0.6998107E+00 8.8678 10 Mg++ 0.2057361E-05 0.2063494E-05 0.5016701E-01 7.9422 11 Fe++ 0.1615377E-06 0.1959487E-06 0.1094300E-01 6.8372 12 K+ 0.5518195E-06 0.5520175E-06 0.2158471E-01 0.5616 13 Na+ 0.1633270E-03 0.1633348E-03 0.3754985E+01 3.0328 14 Mn++ 0.4392800E-07 0.4508039E-07 0.2476594E-02 6.2717 15 HPO4-- 0.4369085E-08 0.1538571E-07 0.1476686E-02 5.2694 Component Tot moles Aq. moles Solid moles Gas moles 1 H+ -.3001214E-04 -.2491171E-05 -.2752097E-04 0.0000000E+00 2 H2O 0.5550822E+02 0.5550820E+02 0.1793284E-04 0.0000000E+00 3 Cl- 0.1379742E-03 0.1379742E-03 0.0000000E+00 0.0000000E+00 4 SO4-- 0.2557652E-04 0.2536929E-04 0.2072342E-06 0.0000000E+00 5 HCO3- 0.1307000E-04 0.1307000E-04 0.0000000E+00 0.0000000E+00 6 HS- -.7205486E-07 0.1351794E-06 -.2072342E-06 0.0000000E+00 7 Al+++ 0.8477928E-05 0.3404431E-06 0.8137485E-05 0.0000000E+00 8 H4SiO4 0.2707324E-04 0.2707324E-04 0.0000000E+00 0.0000000E+00 9 Ca++ 0.1746143E-04 0.1746143E-04 0.0000000E+00 0.0000000E+00 10 Mg++ 0.2063492E-05 0.2063492E-05 0.0000000E+00 0.0000000E+00 11 Fe++ 0.1853822E-05 0.1959485E-06 0.1657874E-05 0.0000000E+00 12 K+ 0.5520170E-06 0.5520170E-06 0.0000000E+00 0.0000000E+00 13 Na+ 0.1633346E-03 0.1633346E-03 0.0000000E+00 0.0000000E+00 14 Mn++ 0.4508035E-07 0.4508035E-07 0.0000000E+00 0.0000000E+00 15 HPO4-- 0.1538570E-07 0.1538570E-07 0.0000000E+00 0.0000000E+00 Chg. balance for solid moles: -.4235E-21 Mass of aqueous solution: 0.100001E+04 g Temperature = 100.00 C Pressure = 50.00 bar Mixer frac. = 0.0026000 Log Log Vol Gas or mineral Moles Moles Grams Grams Wt.% (cm3) diaspore 0.8137E-05 -5.090 0.4882E-03 -3.311 78.67 0.1453E-03 hematite 0.8289E-06 -6.081 0.1324E-03 -3.878 21.33 0.2509E-04 Partial press. Fugacity coef Log fugacity Gas or Mineral Mole fraction or activity Activity coef Log activity diaspore 0.1000E+01 0.1000E+01 1.0000 0.000 hematite 0.1000E+01 0.1000E+01 1.0000 0.000 Solid products produced: Mass = 0.000621 g Volume = 0.000170 cm3 Porosity: 99.9830% V(tot) - V(min): 0.10009E+01 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: 0.0026000 g log = -2.5850 Original solution: 1000.0102895 g Original solution / Rock added: 384619.34 (Water/Rock Ratio), log = 5.5850 Gas composition at saturation ( 2 iterations) ------------------------------------------------- Temperature: 100.0000 deg.C Sat. pressure: 1.0206 bar Gas Mole fraction phi Fugacity Partial P(bar) H2O,gas 0.9997E+00 0.9859 0.1006E+01 0.1020E+01 CO2,gas 0.3131E-03 1.0071 0.3218E-03 0.3195E-03 CH4,gas 0.5276E-10 1.0125 0.5452E-10 0.5385E-10 H2,gas 0.6285E-05 1.0005 0.6418E-05 0.6415E-05 H2S,gas 0.1094E-05 0.9960 0.1113E-05 0.1117E-05 S2,gas 0.1105E-20 1.0000 0.1128E-20 0.1128E-20 CO,gas 0.5393E-12 1.0000 0.5504E-12 0.5504E-12 SO3,gas 0.1791E-33 1.0000 0.1828E-33 0.1828E-33 SO2,gas 0.4472E-16 1.0000 0.4564E-16 0.4564E-16 HCl,gas 0.6121E-14 1.0000 0.6247E-14 0.6247E-14 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 65 diaspore 2.87 2.87 0.00 0.000 -0.30331E-11 90 hematite 12.57 12.57 0.00 0.000 0.30331E-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 -1.696 0.28965E+04 0.003 2 CO2,gas -6.66 -11.85 -5.19 -1.730 0.88642E+04 -3.492 3 CH4,gas 4.54 -7.42 -11.96 -2.991 0.20426E+05 -10.263 4 H2,gas 8.00 1.11 -6.89 -3.938 0.11767E+05 -5.193 5 H2S,gas -6.23 -13.88 -7.65 -3.826 0.13067E+05 -5.954 6 S2,gas -7.34 -29.98 -22.65 -3.484 0.38669E+05 -20.948 7 CO,gas 3.21 -10.74 -13.96 -4.295 0.23833E+05 -12.259 8 SO3,gas 17.12 -18.32 -35.44 -8.859 0.60508E+05 -33.738 9 SO2,gas 0.83 -17.21 -18.04 -4.811 0.30802E+05 -16.341 10 HCl,gas 5.19 -10.71 -15.90 -7.952 0.27154E+05 -14.204 21 andalusite 5.00 1.18 -3.82 -0.382 0.65302E+04 24 anhydrite -5.32 -9.45 -4.13 -2.066 0.70538E+04 32 apatite-OH -18.15 -21.89 -3.74 -0.288 0.63867E+04 35 aragonite 0.97 -2.98 -3.95 -1.317 0.67450E+04 36 brucite 12.57 7.94 -4.63 -0.925 0.78994E+04 37 calcite 0.81 -2.98 -3.80 -1.265 0.64808E+04 40 carpholite-Mg 8.58 4.55 -4.03 -0.269 0.68865E+04 41 carpholite-Fe 6.71 3.44 -3.27 -0.218 0.55813E+04 47 daphnite 28.97 26.22 -2.74 -0.086 0.46835E+04 50 chloritoid-Mg 13.20 9.12 -4.08 -0.272 0.69638E+04 51 chloritoid-Fe 9.17 8.01 -1.16 -0.077 0.19796E+04 52 chloritoid-Mn 11.40 7.45 -3.95 -0.263 0.67486E+04 54 coesite -2.38 -4.57 -2.19 -0.731 0.37467E+04 59 corundum 8.38 5.75 -2.64 -0.240 0.45004E+04 61 cristobalite -2.56 -4.57 -2.01 -0.670 0.34320E+04 78 fayalite 14.05 9.10 -4.94 -0.706 0.84378E+04 83 gibbsite 4.08 2.87 -1.21 -0.172 0.20585E+04 87 greenalite 16.14 11.37 -4.77 -0.397 0.81423E+04 92 hercynite 17.28 12.58 -4.69 -0.313 0.80148E+04 98 kaolinite -1.33 -3.39 -2.06 -0.187 0.35183E+04 99 kyanite 4.88 1.18 -3.70 -0.370 0.63161E+04 102 lawsonite 9.62 5.47 -4.14 -0.276 0.70717E+04 106 magnesite 0.69 -3.91 -4.60 -1.533 0.78542E+04 107 magnetite 20.09 19.40 -0.68 -0.056 0.11679E+04 128 periclase-Fe 11.63 6.84 -4.79 -1.197 0.81778E+04 142 pyrite -21.25 -22.04 -0.79 -0.186 0.13486E+04 143 pyrrhotite -4.26 -7.05 -2.79 -0.928 0.47559E+04 144 pyrrhotiteFe0.875 -6.02 -8.04 -2.02 -0.743 0.34505E+04 147 quartz -2.99 -4.57 -1.58 -0.527 0.26994E+04 151 rhodochrosite -0.98 -5.58 -4.60 -1.535 0.78604E+04 155 siderite -2.61 -5.01 -2.41 -0.802 0.41085E+04 156 sillimanite 5.26 1.18 -4.08 -0.408 0.69741E+04 177 topaz-H 4.62 1.18 -3.44 -0.313 0.58762E+04 178 tridymite -2.63 -4.57 -1.94 -0.648 0.33194E+04 181 troilite-low -4.41 -7.05 -2.63 -0.878 0.44987E+04 192 akaganeite 7.75 6.28 -1.47 -0.318 0.25125E+04 199 chalcedony -2.80 -4.57 -1.77 -0.589 0.30187E+04 214 gypsum -4.96 -9.45 -4.49 -1.123 0.76713E+04 233 boehmite 4.41 2.87 -1.53 -0.255 0.26169E+04 235 ferrous-oxide 9.81 6.84 -2.97 -0.744 0.50787E+04 240 silica-amorphous -2.09 -4.57 -2.48 -0.826 0.42329E+04 Calculations done for 100.0000 Deg. C; 50.0000 bar Next reactant titration increment of: 0.0001000 g Current total amount of reactant added: 0.0026000 g New total amount of reactant added: 0.0027000 g Solids and gases carried Charge balance check after fractionation or titration: TBAL = 0.7000E-15 ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ 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 = 0.0027000 Water: Moles liquid = 0.5551E+02 kg liquid = 0.1000E+01 Moles total = 0.5551E+02 kg total = 0.1000E+01 Activity = 1.0000 Stoichiometric ionic strength = .2498840E-03 Osmotic coef. = 0.9905 True ionic strength = .2487894E-03 Chg. balance for total moles = 0.7000E-15 Max. difference allowed = 0.1380E-07 Log Log Log Species(n) Molality Molality Activity Activity Gamma Gamma 1 H+ 0.14129E-06 -6.8499 0.13588E-06 -6.8668 0.96176E+00 -0.0169 2 H2O 0.10000E+01 0.0000 0.10000E+01 0.0000 3 Cl- 0.13796E-03 -3.8602 0.13267E-03 -3.8772 0.96165E+00 -0.0170 4 SO4-- 0.25244E-04 -4.5978 0.22783E-04 -4.6424 0.90250E+00 -0.0446 5 HCO3- 0.10207E-04 -4.9911 0.98157E-05 -5.0081 0.96168E+00 -0.0170 6 HS- 0.10154E-06 -6.9933 0.97650E-07 -7.0103 0.96166E+00 -0.0170 7 Al+++ 0.23113E-17 -17.6361 0.18759E-17 -17.7268 0.81160E+00 -0.0907 8 H4SiO4 0.27915E-04 -4.5542 0.27915E-04 -4.5542 0.10000E+01 0.0000 9 Ca++ 0.17445E-04 -4.7583 0.15742E-04 -4.8029 0.90238E+00 -0.0446 10 Mg++ 0.21361E-05 -5.6704 0.19274E-05 -5.7150 0.90230E+00 -0.0446 11 Fe++ 0.14336E-06 -6.8436 0.12936E-06 -6.8882 0.90232E+00 -0.0446 12 K+ 0.57304E-06 -6.2418 0.55109E-06 -6.2588 0.96168E+00 -0.0170 13 Na+ 0.16345E-03 -3.7866 0.15718E-03 -3.8036 0.96165E+00 -0.0170 14 Mn++ 0.45555E-07 -7.3415 0.41106E-07 -7.3861 0.90233E+00 -0.0446 15 HPO4-- 0.47657E-08 -8.3219 0.43011E-08 -8.3664 0.90250E+00 -0.0446 16 HSiO3- 0.19947E-06 -6.7001 0.19182E-06 -6.7171 0.96165E+00 -0.0170 17 Ca(HSiO3)+ 0.71507E-10 -10.1457 0.68768E-10 -10.1626 0.96169E+00 -0.0170 18 Mg(HSiO3)+ 0.10896E-10 -10.9627 0.10478E-10 -10.9797 0.96169E+00 -0.0170 19 NaHSiO3,aq 0.48765E-09 -9.3119 0.48765E-09 -9.3119 0.10000E+01 0.0000 20 AlO+ 0.14372E-10 -10.8425 0.13821E-10 -10.8595 0.96169E+00 -0.0170 21 AlOH+2 0.10364E-13 -13.9845 0.93516E-14 -14.0291 0.90235E+00 -0.0446 22 HAlO2,aq 0.20256E-07 -7.6935 0.20256E-07 -7.6935 0.10000E+01 0.0000 23 AlO2- 0.34314E-06 -6.4645 0.32997E-06 -6.4815 0.96162E+00 -0.0170 24 CH4,aq 0.40870E-13 -13.3886 0.40867E-13 -13.3886 0.99992E+00 0.0000 29 CO,aq 0.36357E-15 -15.4394 0.36357E-15 -15.4394 0.10000E+01 0.0000 30 CO2,aq 0.28502E-05 -5.5451 0.28500E-05 -5.5452 0.99992E+00 0.0000 31 CO3-2 0.69915E-08 -8.1554 0.63095E-08 -8.2000 0.90246E+00 -0.0446 32 CaCO3,aq 0.12454E-08 -8.9047 0.12454E-08 -8.9047 0.10000E+01 0.0000 33 Ca(HCO3)+ 0.41014E-08 -8.3871 0.39443E-08 -8.4040 0.96169E+00 -0.0170 34 CaCl+ 0.35146E-08 -8.4541 0.33799E-08 -8.4711 0.96169E+00 -0.0170 35 CaCl2,aq 0.10654E-12 -12.9725 0.10654E-12 -12.9725 0.10000E+01 0.0000 36 CaOH+ 0.85854E-08 -8.0662 0.82565E-08 -8.0832 0.96169E+00 -0.0170 37 CaSO4,aq 0.11389E-06 -6.9435 0.11389E-06 -6.9435 0.10000E+01 0.0000 38 HCl,aq 0.33036E-11 -11.4810 0.33036E-11 -11.4810 0.10000E+01 0.0000 43 FeCl+ 0.28247E-10 -10.5490 0.27165E-10 -10.5660 0.96169E+00 -0.0170 44 FeCl2,aq 0.11410E-18 -18.9427 0.11410E-18 -18.9427 0.10000E+01 0.0000 46 FeO,aq 0.27228E-09 -9.5650 0.27228E-09 -9.5650 0.10000E+01 0.0000 47 FeOH+ 0.32222E-07 -7.4918 0.30987E-07 -7.5088 0.96169E+00 -0.0170 48 HFeO2- 0.21802E-10 -10.6615 0.20966E-10 -10.6785 0.96165E+00 -0.0170 49 FeO+ 0.10785E-11 -11.9672 0.10372E-11 -11.9841 0.96169E+00 -0.0170 50 FeOH+2 0.29828E-16 -16.5254 0.26915E-16 -16.5700 0.90235E+00 -0.0446 51 FeO2- 0.11952E-10 -10.9225 0.11494E-10 -10.9395 0.96165E+00 -0.0170 52 HFeO2,aq 0.19864E-09 -9.7019 0.19864E-09 -9.7019 0.10000E+01 0.0000 53 H2,aq 0.50785E-08 -8.2943 0.50782E-08 -8.2943 0.99992E+00 0.0000 54 KCl,aq 0.13251E-11 -11.8777 0.13251E-11 -11.8777 0.10000E+01 0.0000 55 KHSO4,aq 0.48238E-17 -17.3166 0.48238E-17 -17.3166 0.10000E+01 0.0000 56 KOH,aq 0.17320E-11 -11.7615 0.17320E-11 -11.7615 0.10000E+01 0.0000 57 KSO4- 0.20260E-09 -9.6934 0.19483E-09 -9.7103 0.96165E+00 -0.0170 58 MgCO3,aq 0.38222E-10 -10.4177 0.38222E-10 -10.4177 0.10000E+01 0.0000 59 Mg(HCO3)+ 0.51312E-09 -9.2898 0.49346E-09 -9.3067 0.96169E+00 -0.0170 60 MgCl+ 0.39001E-09 -9.4089 0.37507E-09 -9.4259 0.96169E+00 -0.0170 61 MgOH+ 0.58166E-08 -8.2353 0.55938E-08 -8.2523 0.96169E+00 -0.0170 63 MnO,aq 0.23055E-11 -11.6372 0.23055E-11 -11.6372 0.10000E+01 0.0000 64 MnOH+ 0.95120E-09 -9.0217 0.91475E-09 -9.0387 0.96169E+00 -0.0170 66 HMnO2- 0.12828E-15 -15.8918 0.12336E-15 -15.9088 0.96165E+00 -0.0170 69 MnCl+ 0.34921E-10 -10.4569 0.33583E-10 -10.4739 0.96169E+00 -0.0170 70 MnSO4,aq 0.27037E-09 -9.5680 0.27037E-09 -9.5680 0.10000E+01 0.0000 71 NaCl,aq 0.69111E-08 -8.1605 0.69111E-08 -8.1605 0.10000E+01 0.0000 72 NaOH,aq 0.49700E-09 -9.3036 0.49700E-09 -9.3036 0.10000E+01 0.0000 74 OH- 0.44217E-05 -5.3544 0.42520E-05 -5.3714 0.96162E+00 -0.0170 79 HPO3-2 0.75422E-19 -19.1225 0.68065E-19 -19.1671 0.90246E+00 -0.0446 81 H2PO3- 0.19287E-19 -19.7147 0.18547E-19 -19.7317 0.96165E+00 -0.0170 82 H3PO4,aq 0.55544E-12 -12.2554 0.55544E-12 -12.2554 0.10000E+01 0.0000 83 H2PO4- 0.11211E-07 -7.9503 0.10781E-07 -7.9673 0.96167E+00 -0.0170 84 PO4-3 0.31791E-13 -13.4977 0.25825E-13 -13.5880 0.81234E+00 -0.0903 87 H2P2O7-2 0.10099E-16 -16.9957 0.91144E-17 -17.0403 0.90246E+00 -0.0446 88 HP2O7-3 0.16502E-16 -16.7825 0.13393E-16 -16.8731 0.81160E+00 -0.0907 89 P2O7-4 0.33640E-19 -19.4731 0.23546E-19 -19.6281 0.69996E+00 -0.1549 90 H2S,aq 0.41013E-07 -7.3871 0.41010E-07 -7.3871 0.99992E+00 0.0000 91 S2-2 0.46104E-16 -16.3363 0.41607E-16 -16.3808 0.90246E+00 -0.0446 96 SO2,aq 0.95405E-17 -17.0204 0.95405E-17 -17.0204 0.10000E+01 0.0000 97 SO3-2 0.16655E-13 -13.7785 0.15035E-13 -13.8229 0.90271E+00 -0.0445 98 HSO3- 0.13302E-12 -12.8761 0.12792E-12 -12.8931 0.96165E+00 -0.0170 99 HSO4- 0.31023E-08 -8.5083 0.29835E-08 -8.5253 0.96170E+00 -0.0170 101 S2O3-2 0.12162E-13 -13.9150 0.10975E-13 -13.9596 0.90246E+00 -0.0446 102 HS2O3- 0.27730E-18 -18.5571 0.26666E-18 -18.5740 0.96165E+00 -0.0170 Charge balance for all species = 0.7000E-15 Component Molality Aq.molality ppm log[A(N)/A(H+)**Z] (total) 1 H+ 0.1412867E-06 -.3066829E-05 -.3091139E-02 0.0000 2 H2O 0.1000000E+01 0.5550825E+02 0.9999846E+06 0.0000 3 Cl- 0.1379634E-03 0.1379743E-03 0.4891539E+01 2.9896 4 SO4-- 0.2524447E-04 0.2536070E-04 0.2436157E+01 9.0913 5 HCO3- 0.1020688E-04 0.1307001E-04 0.7974851E+00 1.8588 6 HS- 0.1015437E-06 0.1437998E-06 0.4755686E-02 -0.1435 7 Al+++ 0.2311324E-17 0.3634105E-06 0.9805231E-02 2.8737 8 H4SiO4 0.2791451E-04 0.2811454E-04 0.2702205E+01 -4.5542 9 Ca++ 0.1744506E-04 0.1757646E-04 0.7044202E+00 8.9307 10 Mg++ 0.2136090E-05 0.2142859E-05 0.5209651E-01 8.0186 11 Fe++ 0.1433602E-06 0.1761161E-06 0.9835427E-02 6.8455 12 K+ 0.5730433E-06 0.5732490E-06 0.2241489E-01 0.6081 13 Na+ 0.1634524E-03 0.1634603E-03 0.3757870E+01 3.0632 14 Mn++ 0.4555546E-07 0.4681426E-07 0.2571848E-02 6.3476 15 HPO4-- 0.4765718E-08 0.1597747E-07 0.1533482E-02 5.3672 Component Tot moles Aq. moles Solid moles Gas moles 1 H+ -.3166799E-04 -.3066826E-05 -.2860117E-04 0.0000000E+00 2 H2O 0.5550822E+02 0.5550820E+02 0.1863019E-04 0.0000000E+00 3 Cl- 0.1379742E-03 0.1379742E-03 0.0000000E+00 0.0000000E+00 4 SO4-- 0.2557930E-04 0.2536067E-04 0.2186259E-06 0.0000000E+00 5 HCO3- 0.1307000E-04 0.1307000E-04 0.0000000E+00 0.0000000E+00 6 HS- -.7482620E-07 0.1437997E-06 -.2186259E-06 0.0000000E+00 7 Al+++ 0.8804002E-05 0.3634101E-06 0.8440592E-05 0.0000000E+00 8 H4SiO4 0.2811451E-04 0.2811451E-04 0.0000000E+00 0.0000000E+00 9 Ca++ 0.1757645E-04 0.1757645E-04 0.0000000E+00 0.0000000E+00 10 Mg++ 0.2142857E-05 0.2142857E-05 0.0000000E+00 0.0000000E+00 11 Fe++ 0.1925123E-05 0.1761159E-06 0.1749007E-05 0.0000000E+00 12 K+ 0.5732484E-06 0.5732484E-06 0.0000000E+00 0.0000000E+00 13 Na+ 0.1634602E-03 0.1634602E-03 0.0000000E+00 0.0000000E+00 14 Mn++ 0.4681421E-07 0.4681421E-07 0.0000000E+00 0.0000000E+00 15 HPO4-- 0.1597746E-07 0.1597746E-07 0.0000000E+00 0.0000000E+00 Chg. balance for solid moles: 0.2541E-20 Mass of aqueous solution: 0.100001E+04 g Temperature = 100.00 C Pressure = 50.00 bar Mixer frac. = 0.0027000 Log Log Vol Gas or mineral Moles Moles Grams Grams Wt.% (cm3) diaspore 0.8441E-05 -5.074 0.5064E-03 -3.296 78.38 0.1507E-03 hematite 0.8745E-06 -6.058 0.1397E-03 -3.855 21.62 0.2647E-04 Partial press. Fugacity coef Log fugacity Gas or Mineral Mole fraction or activity Activity coef Log activity diaspore 0.1000E+01 0.1000E+01 1.0000 0.000 hematite 0.1000E+01 0.1000E+01 1.0000 0.000 Solid products produced: Mass = 0.000646 g Volume = 0.000177 cm3 Porosity: 99.9823% V(tot) - V(min): 0.10009E+01 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: 0.0027000 g log = -2.5686 Original solution: 1000.0102895 g Original solution / Rock added: 370374.18 (Water/Rock Ratio), log = 5.5686 Gas composition at saturation ( 2 iterations) ------------------------------------------------- Temperature: 100.0000 deg.C Sat. pressure: 1.0206 bar Gas Mole fraction phi Fugacity Partial P(bar) H2O,gas 0.9997E+00 0.9859 0.1006E+01 0.1020E+01 CO2,gas 0.2967E-03 1.0071 0.3049E-03 0.3028E-03 CH4,gas 0.5821E-10 1.0125 0.6015E-10 0.5941E-10 H2,gas 0.6529E-05 1.0005 0.6667E-05 0.6663E-05 H2S,gas 0.1109E-05 0.9960 0.1127E-05 0.1132E-05 S2,gas 0.1052E-20 1.0000 0.1073E-20 0.1073E-20 CO,gas 0.5308E-12 1.0000 0.5418E-12 0.5418E-12 SO3,gas 0.1558E-33 1.0000 0.1591E-33 0.1591E-33 SO2,gas 0.4042E-16 1.0000 0.4126E-16 0.4126E-16 HCl,gas 0.5712E-14 1.0000 0.5829E-14 0.5829E-14 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 65 diaspore 2.87 2.87 0.00 0.000 0.30331E-11 90 hematite 12.57 12.57 0.00 0.000 -0.30331E-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 -1.696 0.28965E+04 0.003 2 CO2,gas -6.66 -11.87 -5.21 -1.738 0.89041E+04 -3.516 3 CH4,gas 4.54 -7.38 -11.92 -2.980 0.20353E+05 -10.221 4 H2,gas 8.00 1.12 -6.88 -3.929 0.11739E+05 -5.176 5 H2S,gas -6.23 -13.88 -7.65 -3.823 0.13057E+05 -5.948 6 S2,gas -7.34 -30.00 -22.67 -3.487 0.38705E+05 -20.969 7 CO,gas 3.21 -10.75 -13.97 -4.297 0.23845E+05 -12.266 8 SO3,gas 17.12 -18.38 -35.50 -8.874 0.60611E+05 -33.798 9 SO2,gas 0.83 -17.25 -18.08 -4.822 0.30877E+05 -16.385 10 HCl,gas 5.19 -10.74 -15.93 -7.967 0.27206E+05 -14.234 21 andalusite 5.00 1.19 -3.81 -0.381 0.65026E+04 24 anhydrite -5.32 -9.45 -4.13 -2.064 0.70493E+04 32 apatite-OH -18.15 -21.65 -3.49 -0.269 0.59645E+04 35 aragonite 0.97 -2.94 -3.91 -1.304 0.66774E+04 36 brucite 12.57 8.02 -4.55 -0.910 0.77689E+04 37 calcite 0.81 -2.94 -3.76 -1.252 0.64132E+04 40 carpholite-Mg 8.58 4.66 -3.92 -0.262 0.67008E+04 41 carpholite-Fe 6.71 3.48 -3.23 -0.215 0.55119E+04 47 daphnite 28.97 26.31 -2.65 -0.083 0.45301E+04 50 chloritoid-Mg 13.20 9.21 -3.99 -0.266 0.68057E+04 51 chloritoid-Fe 9.17 8.04 -1.13 -0.076 0.19379E+04 52 chloritoid-Mn 11.40 7.54 -3.86 -0.257 0.65913E+04 54 coesite -2.38 -4.55 -2.18 -0.726 0.37191E+04 59 corundum 8.38 5.75 -2.64 -0.240 0.45004E+04 61 cristobalite -2.56 -4.55 -1.99 -0.665 0.34044E+04 78 fayalite 14.05 9.14 -4.91 -0.701 0.83820E+04 83 gibbsite 4.08 2.87 -1.21 -0.172 0.20585E+04 87 greenalite 16.14 11.43 -4.71 -0.393 0.80447E+04 92 hercynite 17.28 12.59 -4.69 -0.312 0.80007E+04 98 kaolinite -1.33 -3.36 -2.03 -0.184 0.34631E+04 99 kyanite 4.88 1.19 -3.68 -0.368 0.62885E+04 102 lawsonite 9.62 5.57 -4.05 -0.270 0.69089E+04 106 magnesite 0.69 -3.86 -4.55 -1.516 0.77637E+04 107 magnetite 20.09 19.41 -0.68 -0.055 0.11538E+04 128 periclase-Fe 11.63 6.85 -4.78 -1.195 0.81636E+04 142 pyrite -21.25 -22.03 -0.79 -0.185 0.13432E+04 143 pyrrhotite -4.26 -7.03 -2.77 -0.924 0.47321E+04 144 pyrrhotiteFe0.875 -6.02 -8.03 -2.01 -0.739 0.34319E+04 147 quartz -2.99 -4.55 -1.56 -0.522 0.26717E+04 151 rhodochrosite -0.98 -5.53 -4.55 -1.517 0.77707E+04 155 siderite -2.61 -5.03 -2.42 -0.807 0.41343E+04 156 sillimanite 5.26 1.19 -4.07 -0.407 0.69465E+04 177 topaz-H 4.62 1.19 -3.43 -0.311 0.58485E+04 178 tridymite -2.63 -4.55 -1.93 -0.643 0.32917E+04 181 troilite-low -4.41 -7.03 -2.62 -0.874 0.44749E+04 192 akaganeite 7.75 6.28 -1.47 -0.318 0.25125E+04 199 chalcedony -2.80 -4.55 -1.75 -0.584 0.29910E+04 205 nontronite-Ca 3.21 -1.73 -4.94 -0.320 0.84354E+04 208 nontronite-Mg 3.07 -1.88 -4.95 -0.321 0.84534E+04 214 gypsum -4.96 -9.45 -4.49 -1.123 0.76669E+04 233 boehmite 4.41 2.87 -1.53 -0.255 0.26169E+04 235 ferrous-oxide 9.81 6.85 -2.97 -0.742 0.50646E+04 240 silica-amorphous -2.09 -4.55 -2.46 -0.821 0.42052E+04 Calculations done for 100.0000 Deg. C; 50.0000 bar Next reactant titration increment of: 0.0001000 g Current total amount of reactant added: 0.0027000 g New total amount of reactant added: 0.0028000 g Solids and gases carried Charge balance check after fractionation or titration: TBAL = 0.7000E-15 ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ 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 = 0.0028000 Water: Moles liquid = 0.5551E+02 kg liquid = 0.1000E+01 Moles total = 0.5551E+02 kg total = 0.1000E+01 Activity = 1.0000 Stoichiometric ionic strength = .2504114E-03 Osmotic coef. = 0.9905 True ionic strength = .2494530E-03 Chg. balance for total moles = 0.7000E-15 Max. difference allowed = 0.1380E-07 Log Log Log Species(n) Molality Molality Activity Activity Gamma Gamma 1 H+ 0.13208E-06 -6.8792 0.12702E-06 -6.8961 0.96173E+00 -0.0169 2 H2O 0.10000E+01 0.0000 0.10000E+01 0.0000 3 Cl- 0.13796E-03 -3.8602 0.13267E-03 -3.8772 0.96163E+00 -0.0170 4 SO4-- 0.25236E-04 -4.5980 0.22773E-04 -4.6426 0.90240E+00 -0.0446 5 HCO3- 0.10354E-04 -4.9849 0.99566E-05 -5.0019 0.96165E+00 -0.0170 6 HS- 0.10949E-06 -6.9606 0.10528E-06 -6.9776 0.96163E+00 -0.0170 7 Al+++ 0.18885E-17 -17.7239 0.15324E-17 -17.8146 0.81140E+00 -0.0908 8 H4SiO4 0.28934E-04 -4.5386 0.28934E-04 -4.5386 0.10000E+01 0.0000 9 Ca++ 0.17559E-04 -4.7555 0.15843E-04 -4.8002 0.90228E+00 -0.0447 10 Mg++ 0.22148E-05 -5.6547 0.19982E-05 -5.6994 0.90220E+00 -0.0447 11 Fe++ 0.12755E-06 -6.8943 0.11508E-06 -6.9390 0.90222E+00 -0.0447 12 K+ 0.59427E-06 -6.2260 0.57148E-06 -6.2430 0.96166E+00 -0.0170 13 Na+ 0.16358E-03 -3.7863 0.15730E-03 -3.8033 0.96162E+00 -0.0170 14 Mn++ 0.47176E-07 -7.3263 0.42564E-07 -7.3710 0.90223E+00 -0.0447 15 HPO4-- 0.51795E-08 -8.2857 0.46740E-08 -8.3303 0.90240E+00 -0.0446 16 HSiO3- 0.22118E-06 -6.6553 0.21269E-06 -6.6723 0.96163E+00 -0.0170 17 Ca(HSiO3)+ 0.79797E-10 -10.0980 0.76738E-10 -10.1150 0.96166E+00 -0.0170 18 Mg(HSiO3)+ 0.12525E-10 -10.9022 0.12045E-10 -10.9192 0.96166E+00 -0.0170 19 NaHSiO3,aq 0.54111E-09 -9.2667 0.54111E-09 -9.2667 0.10000E+01 0.0000 20 AlO+ 0.13435E-10 -10.8718 0.12920E-10 -10.8887 0.96166E+00 -0.0170 21 AlOH+2 0.90573E-14 -14.0430 0.81719E-14 -14.0877 0.90225E+00 -0.0447 22 HAlO2,aq 0.20256E-07 -7.6935 0.20256E-07 -7.6935 0.10000E+01 0.0000 23 AlO2- 0.36708E-06 -6.4352 0.35298E-06 -6.4522 0.96159E+00 -0.0170 24 CH4,aq 0.44718E-13 -13.3495 0.44715E-13 -13.3495 0.99992E+00 0.0000 29 CO,aq 0.35730E-15 -15.4470 0.35730E-15 -15.4470 0.10000E+01 0.0000 30 CO2,aq 0.27027E-05 -5.5682 0.27024E-05 -5.5682 0.99992E+00 0.0000 31 CO3-2 0.75873E-08 -8.1199 0.68465E-08 -8.1645 0.90236E+00 -0.0446 32 CaCO3,aq 0.13600E-08 -8.8664 0.13600E-08 -8.8664 0.10000E+01 0.0000 33 Ca(HCO3)+ 0.41870E-08 -8.3781 0.40265E-08 -8.3951 0.96166E+00 -0.0170 34 CaCl+ 0.35370E-08 -8.4514 0.34014E-08 -8.4683 0.96166E+00 -0.0170 35 CaCl2,aq 0.10721E-12 -12.9698 0.10721E-12 -12.9698 0.10000E+01 0.0000 36 CaOH+ 0.92432E-08 -8.0342 0.88888E-08 -8.0512 0.96166E+00 -0.0170 37 CaSO4,aq 0.11456E-06 -6.9410 0.11456E-06 -6.9410 0.10000E+01 0.0000 38 HCl,aq 0.30881E-11 -11.5103 0.30881E-11 -11.5103 0.10000E+01 0.0000 43 FeCl+ 0.25129E-10 -10.5998 0.24166E-10 -10.6168 0.96166E+00 -0.0170 44 FeCl2,aq 0.10151E-18 -18.9935 0.10151E-18 -18.9935 0.10000E+01 0.0000 46 FeO,aq 0.27720E-09 -9.5572 0.27720E-09 -9.5572 0.10000E+01 0.0000 47 FeOH+ 0.30666E-07 -7.5133 0.29490E-07 -7.5303 0.96166E+00 -0.0170 48 HFeO2- 0.23744E-10 -10.6244 0.22833E-10 -10.6414 0.96163E+00 -0.0170 49 FeO+ 0.10082E-11 -11.9964 0.96957E-12 -12.0134 0.96166E+00 -0.0170 50 FeOH+2 0.26068E-16 -16.5839 0.23520E-16 -16.6286 0.90225E+00 -0.0447 51 FeO2- 0.12786E-10 -10.8933 0.12296E-10 -10.9103 0.96163E+00 -0.0170 52 HFeO2,aq 0.19864E-09 -9.7019 0.19864E-09 -9.7019 0.10000E+01 0.0000 53 H2,aq 0.52636E-08 -8.2787 0.52632E-08 -8.2788 0.99992E+00 0.0000 54 KCl,aq 0.13741E-11 -11.8620 0.13741E-11 -11.8620 0.10000E+01 0.0000 55 KHSO4,aq 0.46740E-17 -17.3303 0.46740E-17 -17.3303 0.10000E+01 0.0000 56 KOH,aq 0.19213E-11 -11.7164 0.19213E-11 -11.7164 0.10000E+01 0.0000 57 KSO4- 0.21001E-09 -9.6778 0.20195E-09 -9.6948 0.96163E+00 -0.0170 58 MgCO3,aq 0.42997E-10 -10.3666 0.42997E-10 -10.3666 0.10000E+01 0.0000 59 Mg(HCO3)+ 0.53961E-09 -9.2679 0.51892E-09 -9.2849 0.96166E+00 -0.0170 60 MgCl+ 0.40433E-09 -9.3933 0.38883E-09 -9.4102 0.96166E+00 -0.0170 61 MgOH+ 0.64510E-08 -8.1904 0.62037E-08 -8.2074 0.96166E+00 -0.0170 63 MnO,aq 0.27318E-11 -11.5635 0.27318E-11 -11.5635 0.10000E+01 0.0000 64 MnOH+ 0.10536E-08 -8.9773 0.10132E-08 -8.9943 0.96166E+00 -0.0170 66 HMnO2- 0.16261E-15 -15.7889 0.15637E-15 -15.8059 0.96163E+00 -0.0170 69 MnCl+ 0.36159E-10 -10.4418 0.34773E-10 -10.4588 0.96166E+00 -0.0170 70 MnSO4,aq 0.27983E-09 -9.5531 0.27983E-09 -9.5531 0.10000E+01 0.0000 71 NaCl,aq 0.69160E-08 -8.1601 0.69160E-08 -8.1601 0.10000E+01 0.0000 72 NaOH,aq 0.53205E-09 -9.2740 0.53205E-09 -9.2740 0.10000E+01 0.0000 74 OH- 0.47302E-05 -5.3251 0.45485E-05 -5.3421 0.96159E+00 -0.0170 79 HPO3-2 0.84957E-19 -19.0708 0.76662E-19 -19.1154 0.90236E+00 -0.0446 81 H2PO3- 0.20307E-19 -19.6924 0.19528E-19 -19.7094 0.96163E+00 -0.0170 82 H3PO4,aq 0.52746E-12 -12.2778 0.52746E-12 -12.2778 0.10000E+01 0.0000 83 H2PO4- 0.11389E-07 -7.9435 0.10952E-07 -7.9605 0.96164E+00 -0.0170 84 PO4-3 0.36966E-13 -13.4322 0.30021E-13 -13.5226 0.81214E+00 -0.0904 87 H2P2O7-2 0.10423E-16 -16.9820 0.94056E-17 -17.0266 0.90236E+00 -0.0446 88 HP2O7-3 0.18222E-16 -16.7394 0.14785E-16 -16.8302 0.81140E+00 -0.0908 89 P2O7-4 0.39743E-19 -19.4007 0.27806E-19 -19.5559 0.69965E+00 -0.1551 90 H2S,aq 0.41336E-07 -7.3837 0.41333E-07 -7.3837 0.99992E+00 0.0000 91 S2-2 0.51717E-16 -16.2864 0.46667E-16 -16.3310 0.90236E+00 -0.0446 96 SO2,aq 0.86369E-17 -17.0636 0.86369E-17 -17.0636 0.10000E+01 0.0000 97 SO3-2 0.17256E-13 -13.7631 0.15575E-13 -13.8076 0.90261E+00 -0.0445 98 HSO3- 0.12882E-12 -12.8900 0.12388E-12 -12.9070 0.96163E+00 -0.0170 99 HSO4- 0.28988E-08 -8.5378 0.27877E-08 -8.5547 0.96168E+00 -0.0170 101 S2O3-2 0.12253E-13 -13.9117 0.11057E-13 -13.9564 0.90236E+00 -0.0446 102 HS2O3- 0.26115E-18 -18.5831 0.25113E-18 -18.6001 0.96163E+00 -0.0170 Charge balance for all species = 0.7001E-15 Component Molality Aq.molality ppm log[A(N)/A(H+)**Z] (total) 1 H+ 0.1320788E-06 -.3650045E-05 -.3678977E-02 0.0000 2 H2O 0.1000000E+01 0.5550825E+02 0.9999845E+06 0.0000 3 Cl- 0.1379634E-03 0.1379743E-03 0.4891538E+01 3.0189 4 SO4-- 0.2523572E-04 0.2535239E-04 0.2435358E+01 9.1496 5 HCO3- 0.1035364E-04 0.1307001E-04 0.7974850E+00 1.8942 6 HS- 0.1094853E-06 0.1521111E-06 0.5030551E-02 -0.0815 7 Al+++ 0.1888550E-17 0.3873520E-06 0.1045120E-01 2.8737 8 H4SiO4 0.2893401E-04 0.2915582E-04 0.2802286E+01 -4.5386 9 Ca++ 0.1755851E-04 0.1769148E-04 0.7090296E+00 8.9921 10 Mg++ 0.2214774E-05 0.2222225E-05 0.5402600E-01 8.0929 11 Fe++ 0.1275521E-06 0.1587564E-06 0.8865953E-02 6.8532 12 K+ 0.5942671E-06 0.5944804E-06 0.2324506E-01 0.6531 13 Na+ 0.1635779E-03 0.1635859E-03 0.3760756E+01 3.0928 14 Mn++ 0.4717576E-07 0.4854812E-07 0.2667101E-02 6.4213 15 HPO4-- 0.5179480E-08 0.1656923E-07 0.1590277E-02 5.4619 Component Tot moles Aq. moles Solid moles Gas moles 1 H+ -.3332384E-04 -.3650041E-05 -.2967380E-04 0.0000000E+00 2 H2O 0.5550822E+02 0.5550820E+02 0.1932312E-04 0.0000000E+00 3 Cl- 0.1379742E-03 0.1379742E-03 0.0000000E+00 0.0000000E+00 4 SO4-- 0.2558207E-04 0.2535236E-04 0.2297085E-06 0.0000000E+00 5 HCO3- 0.1307000E-04 0.1307000E-04 0.0000000E+00 0.0000000E+00 6 HS- -.7759754E-07 0.1521109E-06 -.2297085E-06 0.0000000E+00 7 Al+++ 0.9130077E-05 0.3873516E-06 0.8742725E-05 0.0000000E+00 8 H4SiO4 0.2915579E-04 0.2915579E-04 0.0000000E+00 0.0000000E+00 9 Ca++ 0.1769146E-04 0.1769146E-04 0.0000000E+00 0.0000000E+00 10 Mg++ 0.2222222E-05 0.2222222E-05 0.0000000E+00 0.0000000E+00 11 Fe++ 0.1996424E-05 0.1587563E-06 0.1837668E-05 0.0000000E+00 12 K+ 0.5944798E-06 0.5944798E-06 0.0000000E+00 0.0000000E+00 13 Na+ 0.1635857E-03 0.1635857E-03 0.0000000E+00 0.0000000E+00 14 Mn++ 0.4854807E-07 0.4854807E-07 0.0000000E+00 0.0000000E+00 15 HPO4-- 0.1656921E-07 0.1656921E-07 0.0000000E+00 0.0000000E+00 Chg. balance for solid moles: -.2118E-20 Mass of aqueous solution: 0.100001E+04 g Temperature = 100.00 C Pressure = 50.00 bar Mixer frac. = 0.0028000 Log Log Vol Gas or mineral Moles Moles Grams Grams Wt.% (cm3) diaspore 0.8743E-05 -5.058 0.5245E-03 -3.280 78.14 0.1561E-03 hematite 0.9188E-06 -6.037 0.1467E-03 -3.833 21.86 0.2781E-04 Partial press. Fugacity coef Log fugacity Gas or Mineral Mole fraction or activity Activity coef Log activity diaspore 0.1000E+01 0.1000E+01 1.0000 0.000 hematite 0.1000E+01 0.1000E+01 1.0000 0.000 Solid products produced: Mass = 0.000671 g Volume = 0.000184 cm3 Porosity: 99.9816% V(tot) - V(min): 0.10009E+01 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: 0.0028000 g log = -2.5528 Original solution: 1000.0102895 g Original solution / Rock added: 357146.53 (Water/Rock Ratio), log = 5.5528 Gas composition at saturation ( 2 iterations) ------------------------------------------------- Temperature: 100.0000 deg.C Sat. pressure: 1.0206 bar Gas Mole fraction phi Fugacity Partial P(bar) H2O,gas 0.9997E+00 0.9859 0.1006E+01 0.1020E+01 CO2,gas 0.2813E-03 1.0071 0.2891E-03 0.2871E-03 CH4,gas 0.6369E-10 1.0125 0.6582E-10 0.6500E-10 H2,gas 0.6767E-05 1.0005 0.6910E-05 0.6906E-05 H2S,gas 0.1118E-05 0.9960 0.1136E-05 0.1141E-05 S2,gas 0.9944E-21 1.0000 0.1015E-20 0.1015E-20 CO,gas 0.5217E-12 1.0000 0.5325E-12 0.5325E-12 SO3,gas 0.1361E-33 1.0000 0.1389E-33 0.1389E-33 SO2,gas 0.3660E-16 1.0000 0.3735E-16 0.3735E-16 HCl,gas 0.5339E-14 1.0000 0.5449E-14 0.5449E-14 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 65 diaspore 2.87 2.87 0.00 0.000 -0.30331E-11 90 hematite 12.57 12.57 0.00 0.000 -0.30331E-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 -1.696 0.28965E+04 0.003 2 CO2,gas -6.66 -11.90 -5.24 -1.746 0.89435E+04 -3.539 3 CH4,gas 4.54 -7.34 -11.88 -2.970 0.20286E+05 -10.182 4 H2,gas 8.00 1.14 -6.86 -3.920 0.11712E+05 -5.161 5 H2S,gas -6.23 -13.87 -7.64 -3.822 0.13051E+05 -5.945 6 S2,gas -7.34 -30.03 -22.69 -3.491 0.38747E+05 -20.994 7 CO,gas 3.21 -10.76 -13.97 -4.299 0.23858E+05 -12.274 8 SO3,gas 17.12 -18.43 -35.56 -8.889 0.60711E+05 -33.857 9 SO2,gas 0.83 -17.29 -18.13 -4.834 0.30951E+05 -16.428 10 HCl,gas 5.19 -10.77 -15.96 -7.981 0.27256E+05 -14.264 21 andalusite 5.00 1.21 -3.79 -0.379 0.64760E+04 24 anhydrite -5.32 -9.44 -4.13 -2.063 0.70450E+04 32 apatite-OH -18.15 -21.41 -3.25 -0.250 0.55559E+04 35 aragonite 0.97 -2.91 -3.87 -1.291 0.66121E+04 36 brucite 12.57 8.09 -4.48 -0.895 0.76422E+04 37 calcite 0.81 -2.91 -3.72 -1.239 0.63479E+04 40 carpholite-Mg 8.58 4.76 -3.82 -0.255 0.65209E+04 41 carpholite-Fe 6.71 3.52 -3.19 -0.213 0.54455E+04 47 daphnite 28.97 26.40 -2.57 -0.080 0.43839E+04 50 chloritoid-Mg 13.20 9.30 -3.90 -0.260 0.66524E+04 51 chloritoid-Fe 9.17 8.06 -1.11 -0.074 0.18980E+04 52 chloritoid-Mn 11.40 7.63 -3.77 -0.251 0.64389E+04 54 coesite -2.38 -4.54 -2.16 -0.721 0.36925E+04 59 corundum 8.38 5.75 -2.64 -0.240 0.45004E+04 61 cristobalite -2.56 -4.54 -1.98 -0.659 0.33778E+04 78 fayalite 14.05 9.17 -4.88 -0.697 0.83288E+04 83 gibbsite 4.08 2.87 -1.21 -0.172 0.20585E+04 87 greenalite 16.14 11.48 -4.66 -0.388 0.79517E+04 92 hercynite 17.28 12.60 -4.68 -0.312 0.79874E+04 98 kaolinite -1.33 -3.33 -2.00 -0.182 0.34099E+04 99 kyanite 4.88 1.21 -3.67 -0.367 0.62619E+04 102 lawsonite 9.62 5.66 -3.95 -0.264 0.67510E+04 106 magnesite 0.69 -3.81 -4.50 -1.499 0.76764E+04 107 magnetite 20.09 19.42 -0.67 -0.055 0.11406E+04 128 periclase-Fe 11.63 6.85 -4.77 -1.193 0.81504E+04 142 pyrite -21.25 -22.03 -0.79 -0.185 0.13448E+04 143 pyrrhotite -4.26 -7.02 -2.76 -0.920 0.47130E+04 144 pyrrhotiteFe0.875 -6.02 -8.02 -2.00 -0.736 0.34177E+04 147 quartz -2.99 -4.54 -1.55 -0.516 0.26451E+04 151 rhodochrosite -0.98 -5.48 -4.50 -1.500 0.76843E+04 155 siderite -2.61 -5.04 -2.44 -0.812 0.41605E+04 156 sillimanite 5.26 1.21 -4.05 -0.405 0.69199E+04 177 topaz-H 4.62 1.21 -3.41 -0.310 0.58219E+04 178 tridymite -2.63 -4.54 -1.91 -0.637 0.32651E+04 181 troilite-low -4.41 -7.02 -2.61 -0.870 0.44558E+04 192 akaganeite 7.75 6.28 -1.47 -0.318 0.25125E+04 199 chalcedony -2.80 -4.54 -1.74 -0.579 0.29644E+04 205 nontronite-Ca 3.21 -1.66 -4.87 -0.316 0.83205E+04 208 nontronite-Mg 3.07 -1.81 -4.88 -0.317 0.83349E+04 214 gypsum -4.96 -9.44 -4.49 -1.122 0.76625E+04 233 boehmite 4.41 2.87 -1.53 -0.255 0.26169E+04 235 ferrous-oxide 9.81 6.85 -2.96 -0.740 0.50513E+04 240 silica-amorphous -2.09 -4.54 -2.45 -0.816 0.41786E+04 Calculations done for 100.0000 Deg. C; 50.0000 bar Next reactant titration increment of: 0.0001000 g Current total amount of reactant added: 0.0028000 g New total amount of reactant added: 0.0029000 g Solids and gases carried Charge balance check after fractionation or titration: TBAL = 0.7000E-15 ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ 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 = 0.0029000 Water: Moles liquid = 0.5551E+02 kg liquid = 0.1000E+01 Moles total = 0.5551E+02 kg total = 0.1000E+01 Activity = 1.0000 Stoichiometric ionic strength = .2509476E-03 Osmotic coef. = 0.9904 True ionic strength = .2501238E-03 Chg. balance for total moles = 0.7000E-15 Max. difference allowed = 0.1380E-07 Log Log Log Species(n) Molality Molality Activity Activity Gamma Gamma 1 H+ 0.12371E-06 -6.9076 0.11897E-06 -6.9246 0.96171E+00 -0.0170 2 H2O 0.10000E+01 0.0000 0.10000E+01 0.0000 3 Cl- 0.13796E-03 -3.8602 0.13267E-03 -3.8772 0.96160E+00 -0.0170 4 SO4-- 0.25227E-04 -4.5981 0.22762E-04 -4.6428 0.90230E+00 -0.0446 5 HCO3- 0.10491E-04 -4.9792 0.10088E-04 -4.9962 0.96163E+00 -0.0170 6 HS- 0.11733E-06 -6.9306 0.11282E-06 -6.9476 0.96160E+00 -0.0170 7 Al+++ 0.15521E-17 -17.8091 0.12590E-17 -17.9000 0.81119E+00 -0.0909 8 H4SiO4 0.29952E-04 -4.5236 0.29952E-04 -4.5236 0.10000E+01 0.0000 9 Ca++ 0.17672E-04 -4.7527 0.15943E-04 -4.7974 0.90218E+00 -0.0447 10 Mg++ 0.22934E-05 -5.6395 0.20689E-05 -5.6843 0.90210E+00 -0.0447 11 Fe++ 0.11381E-06 -6.9438 0.10267E-06 -6.9885 0.90212E+00 -0.0447 12 K+ 0.61549E-06 -6.2108 0.59188E-06 -6.2278 0.96163E+00 -0.0170 13 Na+ 0.16370E-03 -3.7859 0.15742E-03 -3.8029 0.96160E+00 -0.0170 14 Mn++ 0.48789E-07 -7.3117 0.44014E-07 -7.3564 0.90213E+00 -0.0447 15 HPO4-- 0.56092E-08 -8.2511 0.50612E-08 -8.2957 0.90230E+00 -0.0446 16 HSiO3- 0.24446E-06 -6.6118 0.23507E-06 -6.6288 0.96160E+00 -0.0170 17 Ca(HSiO3)+ 0.88757E-10 -10.0518 0.85352E-10 -10.0688 0.96163E+00 -0.0170 18 Mg(HSiO3)+ 0.14334E-10 -10.8436 0.13784E-10 -10.8606 0.96163E+00 -0.0170 19 NaHSiO3,aq 0.59850E-09 -9.2229 0.59850E-09 -9.2229 0.10000E+01 0.0000 20 AlO+ 0.12584E-10 -10.9002 0.12101E-10 -10.9172 0.96163E+00 -0.0170 21 AlOH+2 0.79464E-14 -14.0998 0.71688E-14 -14.1446 0.90215E+00 -0.0447 22 HAlO2,aq 0.20256E-07 -7.6935 0.20256E-07 -7.6935 0.10000E+01 0.0000 23 AlO2- 0.39194E-06 -6.4068 0.37687E-06 -6.4238 0.96157E+00 -0.0170 24 CH4,aq 0.48575E-13 -13.3136 0.48571E-13 -13.3136 0.99992E+00 0.0000 29 CO,aq 0.35072E-15 -15.4550 0.35072E-15 -15.4550 0.10000E+01 0.0000 30 CO2,aq 0.25648E-05 -5.5910 0.25646E-05 -5.5910 0.99992E+00 0.0000 31 CO3-2 0.82086E-08 -8.0857 0.74063E-08 -8.1304 0.90226E+00 -0.0447 32 CaCO3,aq 0.14806E-08 -8.8296 0.14806E-08 -8.8296 0.10000E+01 0.0000 33 Ca(HCO3)+ 0.42693E-08 -8.3696 0.41055E-08 -8.3866 0.96163E+00 -0.0170 34 CaCl+ 0.35595E-08 -8.4486 0.34229E-08 -8.4656 0.96163E+00 -0.0170 35 CaCl2,aq 0.10789E-12 -12.9670 0.10789E-12 -12.9670 0.10000E+01 0.0000 36 CaOH+ 0.99316E-08 -8.0030 0.95506E-08 -8.0200 0.96163E+00 -0.0170 37 CaSO4,aq 0.11524E-06 -6.9384 0.11524E-06 -6.9384 0.10000E+01 0.0000 38 HCl,aq 0.28923E-11 -11.5388 0.28923E-11 -11.5388 0.10000E+01 0.0000 43 FeCl+ 0.22420E-10 -10.6494 0.21560E-10 -10.6664 0.96163E+00 -0.0170 44 FeCl2,aq 0.90557E-19 -19.0431 0.90557E-19 -19.0431 0.10000E+01 0.0000 46 FeO,aq 0.28192E-09 -9.5499 0.28192E-09 -9.5499 0.10000E+01 0.0000 47 FeOH+ 0.29212E-07 -7.5344 0.28091E-07 -7.5514 0.96163E+00 -0.0170 48 HFeO2- 0.25783E-10 -10.5887 0.24793E-10 -10.6057 0.96160E+00 -0.0170 49 FeO+ 0.94434E-12 -12.0249 0.90811E-12 -12.0419 0.96163E+00 -0.0170 50 FeOH+2 0.22870E-16 -16.6407 0.20633E-16 -16.6854 0.90215E+00 -0.0447 51 FeO2- 0.13652E-10 -10.8648 0.13128E-10 -10.8818 0.96160E+00 -0.0170 52 HFeO2,aq 0.19864E-09 -9.7019 0.19864E-09 -9.7019 0.10000E+01 0.0000 53 H2,aq 0.54444E-08 -8.2641 0.54440E-08 -8.2641 0.99992E+00 0.0000 54 KCl,aq 0.14231E-11 -11.8468 0.14231E-11 -11.8468 0.10000E+01 0.0000 55 KHSO4,aq 0.45319E-17 -17.3437 0.45319E-17 -17.3437 0.10000E+01 0.0000 56 KOH,aq 0.21245E-11 -11.6727 0.21245E-11 -11.6727 0.10000E+01 0.0000 57 KSO4- 0.21741E-09 -9.6627 0.20906E-09 -9.6797 0.96160E+00 -0.0170 58 MgCO3,aq 0.48159E-10 -10.3173 0.48159E-10 -10.3173 0.10000E+01 0.0000 59 Mg(HCO3)+ 0.56610E-09 -9.2471 0.54438E-09 -9.2641 0.96163E+00 -0.0170 60 MgCl+ 0.41864E-09 -9.3782 0.40258E-09 -9.3951 0.96163E+00 -0.0170 61 MgOH+ 0.71315E-08 -8.1468 0.68579E-08 -8.1638 0.96163E+00 -0.0170 63 MnO,aq 0.32202E-11 -11.4921 0.32202E-11 -11.4921 0.10000E+01 0.0000 64 MnOH+ 0.11633E-08 -8.9343 0.11187E-08 -8.9513 0.96163E+00 -0.0170 66 HMnO2- 0.20466E-15 -15.6890 0.19680E-15 -15.7060 0.96160E+00 -0.0170 69 MnCl+ 0.37392E-10 -10.4272 0.35957E-10 -10.4442 0.96163E+00 -0.0170 70 MnSO4,aq 0.28923E-09 -9.5388 0.28923E-09 -9.5388 0.10000E+01 0.0000 71 NaCl,aq 0.69209E-08 -8.1598 0.69209E-08 -8.1598 0.10000E+01 0.0000 72 NaOH,aq 0.56848E-09 -9.2453 0.56848E-09 -9.2453 0.10000E+01 0.0000 74 OH- 0.50504E-05 -5.2967 0.48563E-05 -5.3137 0.96157E+00 -0.0170 79 HPO3-2 0.95165E-19 -19.0215 0.85864E-19 -19.0662 0.90226E+00 -0.0447 81 H2PO3- 0.21303E-19 -19.6716 0.20485E-19 -19.6886 0.96160E+00 -0.0170 82 H3PO4,aq 0.50104E-12 -12.3001 0.50104E-12 -12.3001 0.10000E+01 0.0000 83 H2PO4- 0.11551E-07 -7.9374 0.11108E-07 -7.9544 0.96162E+00 -0.0170 84 PO4-3 0.42747E-13 -13.3691 0.34708E-13 -13.4596 0.81194E+00 -0.0905 87 H2P2O7-2 0.10723E-16 -16.9697 0.96747E-17 -17.0144 0.90226E+00 -0.0447 88 HP2O7-3 0.20016E-16 -16.6986 0.16237E-16 -16.7895 0.81120E+00 -0.0909 89 P2O7-4 0.46621E-19 -19.3314 0.32604E-19 -19.4867 0.69934E+00 -0.1553 90 H2S,aq 0.41488E-07 -7.3821 0.41485E-07 -7.3821 0.99992E+00 0.0000 91 S2-2 0.57422E-16 -16.2409 0.51810E-16 -16.2856 0.90226E+00 -0.0447 96 SO2,aq 0.78334E-17 -17.1061 0.78334E-17 -17.1061 0.10000E+01 0.0000 97 SO3-2 0.17843E-13 -13.7485 0.16103E-13 -13.7931 0.90251E+00 -0.0445 98 HSO3- 0.12475E-12 -12.9040 0.11996E-12 -12.9210 0.96160E+00 -0.0170 99 HSO4- 0.27139E-08 -8.5664 0.26099E-08 -8.5834 0.96165E+00 -0.0170 101 S2O3-2 0.12294E-13 -13.9103 0.11093E-13 -13.9550 0.90226E+00 -0.0447 102 HS2O3- 0.24539E-18 -18.6101 0.23597E-18 -18.6271 0.96160E+00 -0.0170 Charge balance for all species = 0.7001E-15 Component Molality Aq.molality ppm log[A(N)/A(H+)**Z] (total) 1 H+ 0.1237102E-06 -.4240066E-05 -.4273675E-02 0.0000 2 H2O 0.1000000E+01 0.5550825E+02 0.9999844E+06 0.0000 3 Cl- 0.1379634E-03 0.1379743E-03 0.4891538E+01 3.0473 4 SO4-- 0.2522722E-04 0.2534435E-04 0.2434586E+01 9.2063 5 HCO3- 0.1049067E-04 0.1307001E-04 0.7974849E+00 1.9284 6 HS- 0.1173280E-06 0.1601509E-06 0.5296440E-02 -0.0231 7 Al+++ 0.1552096E-17 0.4122049E-06 0.1112176E-01 2.8737 8 H4SiO4 0.2995194E-04 0.3019710E-04 0.2902368E+01 -4.5236 9 Ca++ 0.1767192E-04 0.1780649E-04 0.7136390E+00 9.0517 10 Mg++ 0.2293411E-05 0.2301590E-05 0.5595550E-01 8.1648 11 Fe++ 0.1138127E-06 0.1435680E-06 0.8017732E-02 6.8606 12 K+ 0.6154910E-06 0.6157119E-06 0.2407524E-01 0.6968 13 Na+ 0.1637033E-03 0.1637114E-03 0.3763641E+01 3.1216 14 Mn++ 0.4878882E-07 0.5028198E-07 0.2762354E-02 6.4927 15 HPO4-- 0.5609175E-08 0.1716099E-07 0.1647073E-02 5.5534 Component Tot moles Aq. moles Solid moles Gas moles 1 H+ -.3497969E-04 -.4240061E-05 -.3073963E-04 0.0000000E+00 2 H2O 0.5550821E+02 0.5550819E+02 0.2001205E-04 0.0000000E+00 3 Cl- 0.1379742E-03 0.1379742E-03 0.0000000E+00 0.0000000E+00 4 SO4-- 0.2558484E-04 0.2534432E-04 0.2405196E-06 0.0000000E+00 5 HCO3- 0.1307000E-04 0.1307000E-04 0.0000000E+00 0.0000000E+00 6 HS- -.8036889E-07 0.1601508E-06 -.2405196E-06 0.0000000E+00 7 Al+++ 0.9456151E-05 0.4122044E-06 0.9043946E-05 0.0000000E+00 8 H4SiO4 0.3019707E-04 0.3019707E-04 0.0000000E+00 0.0000000E+00 9 Ca++ 0.1780647E-04 0.1780647E-04 0.0000000E+00 0.0000000E+00 10 Mg++ 0.2301587E-05 0.2301587E-05 0.0000000E+00 0.0000000E+00 11 Fe++ 0.2067725E-05 0.1435678E-06 0.1924157E-05 0.0000000E+00 12 K+ 0.6157113E-06 0.6157113E-06 0.0000000E+00 0.0000000E+00 13 Na+ 0.1637112E-03 0.1637112E-03 0.0000000E+00 0.0000000E+00 14 Mn++ 0.5028193E-07 0.5028193E-07 0.0000000E+00 0.0000000E+00 15 HPO4-- 0.1716097E-07 0.1716097E-07 0.0000000E+00 0.0000000E+00 Chg. balance for solid moles: -.5082E-20 Mass of aqueous solution: 0.100001E+04 g Temperature = 100.00 C Pressure = 50.00 bar Mixer frac. = 0.0029000 Log Log Vol Gas or mineral Moles Moles Grams Grams Wt.% (cm3) diaspore 0.9044E-05 -5.044 0.5425E-03 -3.266 77.93 0.1615E-03 hematite 0.9621E-06 -6.017 0.1536E-03 -3.813 22.07 0.2912E-04 Partial press. Fugacity coef Log fugacity Gas or Mineral Mole fraction or activity Activity coef Log activity diaspore 0.1000E+01 0.1000E+01 1.0000 0.000 hematite 0.1000E+01 0.1000E+01 1.0000 0.000 Solid products produced: Mass = 0.000696 g Volume = 0.000191 cm3 Porosity: 99.9810% V(tot) - V(min): 0.10010E+01 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: 0.0029000 g log = -2.5376 Original solution: 1000.0102895 g Original solution / Rock added: 344831.13 (Water/Rock Ratio), log = 5.5376 Gas composition at saturation ( 2 iterations) ------------------------------------------------- Temperature: 100.0000 deg.C Sat. pressure: 1.0206 bar Gas Mole fraction phi Fugacity Partial P(bar) H2O,gas 0.9997E+00 0.9859 0.1006E+01 0.1020E+01 CO2,gas 0.2670E-03 1.0071 0.2744E-03 0.2724E-03 CH4,gas 0.6919E-10 1.0125 0.7149E-10 0.7061E-10 H2,gas 0.6999E-05 1.0005 0.7147E-05 0.7143E-05 H2S,gas 0.1122E-05 0.9960 0.1140E-05 0.1145E-05 S2,gas 0.9363E-21 1.0000 0.9556E-21 0.9556E-21 CO,gas 0.5121E-12 1.0000 0.5226E-12 0.5226E-12 SO3,gas 0.1194E-33 1.0000 0.1218E-33 0.1218E-33 SO2,gas 0.3319E-16 1.0000 0.3387E-16 0.3387E-16 HCl,gas 0.5001E-14 1.0000 0.5104E-14 0.5104E-14 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 65 diaspore 2.87 2.87 0.00 0.000 -0.30331E-11 90 hematite 12.57 12.57 0.00 0.000 0.30331E-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 -1.696 0.28965E+04 0.003 2 CO2,gas -6.66 -11.92 -5.26 -1.754 0.89824E+04 -3.562 3 CH4,gas 4.54 -7.30 -11.84 -2.961 0.20225E+05 -10.146 4 H2,gas 8.00 1.15 -6.84 -3.911 0.11687E+05 -5.146 5 H2S,gas -6.23 -13.87 -7.64 -3.821 0.13048E+05 -5.943 6 S2,gas -7.34 -30.05 -22.72 -3.495 0.38792E+05 -21.020 7 CO,gas 3.21 -10.77 -13.98 -4.302 0.23872E+05 -12.282 8 SO3,gas 17.12 -18.49 -35.61 -8.903 0.60809E+05 -33.914 9 SO2,gas 0.83 -17.34 -18.17 -4.845 0.31023E+05 -16.470 10 HCl,gas 5.19 -10.80 -15.99 -7.996 0.27304E+05 -14.292 21 andalusite 5.00 1.22 -3.78 -0.378 0.64503E+04 24 anhydrite -5.32 -9.44 -4.12 -2.062 0.70406E+04 32 apatite-OH -18.15 -21.18 -3.02 -0.233 0.51611E+04 35 aragonite 0.97 -2.87 -3.84 -1.279 0.65492E+04 36 brucite 12.57 8.16 -4.40 -0.881 0.75192E+04 37 calcite 0.81 -2.87 -3.68 -1.227 0.62849E+04 40 carpholite-Mg 8.58 4.87 -3.72 -0.248 0.63467E+04 41 carpholite-Fe 6.71 3.56 -3.15 -0.210 0.53817E+04 47 daphnite 28.97 26.48 -2.49 -0.078 0.42444E+04 50 chloritoid-Mg 13.20 9.39 -3.81 -0.254 0.65038E+04 51 chloritoid-Fe 9.17 8.08 -1.09 -0.073 0.18599E+04 52 chloritoid-Mn 11.40 7.72 -3.68 -0.246 0.62913E+04 54 coesite -2.38 -4.52 -2.15 -0.716 0.36668E+04 59 corundum 8.38 5.75 -2.64 -0.240 0.45004E+04 61 cristobalite -2.56 -4.52 -1.96 -0.654 0.33522E+04 78 fayalite 14.05 9.20 -4.85 -0.693 0.82782E+04 83 gibbsite 4.08 2.87 -1.21 -0.172 0.20585E+04 87 greenalite 16.14 11.53 -4.60 -0.384 0.78629E+04 92 hercynite 17.28 12.61 -4.67 -0.311 0.79749E+04 98 kaolinite -1.33 -3.30 -1.97 -0.179 0.33586E+04 99 kyanite 4.88 1.22 -3.65 -0.365 0.62362E+04 102 lawsonite 9.62 5.75 -3.86 -0.258 0.65979E+04 106 magnesite 0.69 -3.76 -4.45 -1.482 0.75923E+04 107 magnetite 20.09 19.43 -0.66 -0.054 0.11280E+04 128 periclase-Fe 11.63 6.86 -4.77 -1.192 0.81379E+04 142 pyrite -21.25 -22.04 -0.79 -0.186 0.13519E+04 143 pyrrhotite -4.26 -7.01 -2.75 -0.917 0.46977E+04 144 pyrrhotiteFe0.875 -6.02 -8.01 -2.00 -0.734 0.34071E+04 147 quartz -2.99 -4.52 -1.53 -0.511 0.26195E+04 151 rhodochrosite -0.98 -5.43 -4.45 -1.484 0.76012E+04 155 siderite -2.61 -5.06 -2.45 -0.817 0.41868E+04 156 sillimanite 5.26 1.22 -4.04 -0.404 0.68943E+04 177 topaz-H 4.62 1.22 -3.39 -0.309 0.57963E+04 178 tridymite -2.63 -4.52 -1.90 -0.632 0.32395E+04 181 troilite-low -4.41 -7.01 -2.60 -0.867 0.44405E+04 192 akaganeite 7.75 6.28 -1.47 -0.318 0.25125E+04 199 chalcedony -2.80 -4.52 -1.72 -0.574 0.29388E+04 205 nontronite-Ca 3.21 -1.59 -4.81 -0.312 0.82096E+04 208 nontronite-Mg 3.07 -1.74 -4.81 -0.312 0.82205E+04 214 gypsum -4.96 -9.44 -4.49 -1.121 0.76582E+04 233 boehmite 4.41 2.87 -1.53 -0.255 0.26169E+04 235 ferrous-oxide 9.81 6.86 -2.95 -0.738 0.50388E+04 240 silica-amorphous -2.09 -4.52 -2.43 -0.811 0.41530E+04 Calculations done for 100.0000 Deg. C; 50.0000 bar Next reactant titration increment of: 0.0001000 g Current total amount of reactant added: 0.0029000 g New total amount of reactant added: 0.0030000 g Solids and gases carried Charge balance check after fractionation or titration: TBAL = 0.7000E-15 ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ 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 = 0.0030000 Water: Moles liquid = 0.5551E+02 kg liquid = 0.1000E+01 Moles total = 0.5551E+02 kg total = 0.1000E+01 Activity = 1.0000 Stoichiometric ionic strength = .2514917E-03 Osmotic coef. = 0.9904 True ionic strength = .2508009E-03 Chg. balance for total moles = 0.7000E-15 Max. difference allowed = 0.1380E-07 Log Log Log Species(n) Molality Molality Activity Activity Gamma Gamma 1 H+ 0.11610E-06 -6.9352 0.11166E-06 -6.9521 0.96168E+00 -0.0170 2 H2O 0.10000E+01 0.0000 0.10000E+01 0.0000 3 Cl- 0.13796E-03 -3.8602 0.13266E-03 -3.8773 0.96157E+00 -0.0170 4 SO4-- 0.25219E-04 -4.5983 0.22752E-04 -4.6430 0.90220E+00 -0.0447 5 HCO3- 0.10618E-04 -4.9739 0.10211E-04 -4.9910 0.96160E+00 -0.0170 6 HS- 0.12507E-06 -6.9028 0.12026E-06 -6.9199 0.96158E+00 -0.0170 7 Al+++ 0.12833E-17 -17.8917 0.10407E-17 -17.9827 0.81099E+00 -0.0910 8 H4SiO4 0.30968E-04 -4.5091 0.30968E-04 -4.5091 0.10000E+01 0.0000 9 Ca++ 0.17785E-04 -4.7499 0.16044E-04 -4.7947 0.90208E+00 -0.0448 10 Mg++ 0.23720E-05 -5.6249 0.21395E-05 -5.6697 0.90200E+00 -0.0448 11 Fe++ 0.10187E-06 -6.9920 0.91887E-07 -7.0367 0.90202E+00 -0.0448 12 K+ 0.63671E-06 -6.1961 0.61227E-06 -6.2131 0.96160E+00 -0.0170 13 Na+ 0.16383E-03 -3.7856 0.15753E-03 -3.8026 0.96157E+00 -0.0170 14 Mn++ 0.50395E-07 -7.2976 0.45458E-07 -7.3424 0.90203E+00 -0.0448 15 HPO4-- 0.60536E-08 -8.2180 0.54615E-08 -8.2627 0.90220E+00 -0.0447 16 HSiO3- 0.26933E-06 -6.5697 0.25898E-06 -6.5867 0.96157E+00 -0.0170 17 Ca(HSiO3)+ 0.98402E-10 -10.0070 0.94624E-10 -10.0240 0.96161E+00 -0.0170 18 Mg(HSiO3)+ 0.16331E-10 -10.7870 0.15704E-10 -10.8040 0.96161E+00 -0.0170 19 NaHSiO3,aq 0.65985E-09 -9.1806 0.65985E-09 -9.1806 0.10000E+01 0.0000 20 AlO+ 0.11810E-10 -10.9277 0.11357E-10 -10.9447 0.96161E+00 -0.0170 21 AlOH+2 0.69997E-14 -14.1549 0.63141E-14 -14.1997 0.90205E+00 -0.0448 22 HAlO2,aq 0.20256E-07 -7.6935 0.20256E-07 -7.6935 0.10000E+01 0.0000 23 AlO2- 0.41764E-06 -6.3792 0.40157E-06 -6.3962 0.96154E+00 -0.0170 24 CH4,aq 0.52430E-13 -13.2804 0.52426E-13 -13.2805 0.99992E+00 0.0000 29 CO,aq 0.34396E-15 -15.4635 0.34396E-15 -15.4635 0.10000E+01 0.0000 30 CO2,aq 0.24362E-05 -5.6133 0.24361E-05 -5.6133 0.99992E+00 0.0000 31 CO3-2 0.88538E-08 -8.0529 0.79875E-08 -8.0976 0.90216E+00 -0.0447 32 CaCO3,aq 0.16069E-08 -8.7940 0.16069E-08 -8.7940 0.10000E+01 0.0000 33 Ca(HCO3)+ 0.43485E-08 -8.3617 0.41816E-08 -8.3787 0.96161E+00 -0.0170 34 CaCl+ 0.35819E-08 -8.4459 0.34444E-08 -8.4629 0.96161E+00 -0.0170 35 CaCl2,aq 0.10856E-12 -12.9643 0.10856E-12 -12.9643 0.10000E+01 0.0000 36 CaOH+ 0.10650E-07 -7.9727 0.10241E-07 -7.9897 0.96161E+00 -0.0170 37 CaSO4,aq 0.11592E-06 -6.9359 0.11592E-06 -6.9359 0.10000E+01 0.0000 38 HCl,aq 0.27143E-11 -11.5663 0.27143E-11 -11.5663 0.10000E+01 0.0000 43 FeCl+ 0.20065E-10 -10.6976 0.19295E-10 -10.7146 0.96161E+00 -0.0170 44 FeCl2,aq 0.81039E-19 -19.0913 0.81039E-19 -19.0913 0.10000E+01 0.0000 46 FeO,aq 0.28646E-09 -9.5429 0.28646E-09 -9.5429 0.10000E+01 0.0000 47 FeOH+ 0.27857E-07 -7.5551 0.26788E-07 -7.5721 0.96161E+00 -0.0170 48 HFeO2- 0.27916E-10 -10.5541 0.26844E-10 -10.5712 0.96157E+00 -0.0170 49 FeO+ 0.88628E-12 -12.0524 0.85225E-12 -12.0694 0.96161E+00 -0.0170 50 FeOH+2 0.20146E-16 -16.6958 0.18173E-16 -16.7406 0.90205E+00 -0.0448 51 FeO2- 0.14547E-10 -10.8372 0.13988E-10 -10.8542 0.96157E+00 -0.0170 52 HFeO2,aq 0.19864E-09 -9.7019 0.19864E-09 -9.7019 0.10000E+01 0.0000 53 H2,aq 0.56211E-08 -8.2502 0.56207E-08 -8.2502 0.99992E+00 0.0000 54 KCl,aq 0.14721E-11 -11.8321 0.14721E-11 -11.8321 0.10000E+01 0.0000 55 KHSO4,aq 0.43978E-17 -17.3568 0.43978E-17 -17.3568 0.10000E+01 0.0000 56 KOH,aq 0.23418E-11 -11.6305 0.23418E-11 -11.6305 0.10000E+01 0.0000 57 KSO4- 0.22481E-09 -9.6482 0.21617E-09 -9.6652 0.96157E+00 -0.0170 58 MgCO3,aq 0.53712E-10 -10.2699 0.53712E-10 -10.2699 0.10000E+01 0.0000 59 Mg(HCO3)+ 0.59255E-09 -9.2273 0.56980E-09 -9.2443 0.96161E+00 -0.0170 60 MgCl+ 0.43294E-09 -9.3636 0.41632E-09 -9.3806 0.96161E+00 -0.0170 61 MgOH+ 0.78586E-08 -8.1047 0.75569E-08 -8.1217 0.96161E+00 -0.0170 63 MnO,aq 0.37761E-11 -11.4230 0.37761E-11 -11.4230 0.10000E+01 0.0000 64 MnOH+ 0.12802E-08 -8.8927 0.12311E-08 -8.9097 0.96161E+00 -0.0170 65 MnO2-2 0.11142E-19 -19.9530 0.10052E-19 -19.9978 0.90216E+00 -0.0447 66 HMnO2- 0.25572E-15 -15.5922 0.24589E-15 -15.6093 0.96157E+00 -0.0170 69 MnCl+ 0.38618E-10 -10.4132 0.37135E-10 -10.4302 0.96161E+00 -0.0170 70 MnSO4,aq 0.29859E-09 -9.5249 0.29859E-09 -9.5249 0.10000E+01 0.0000 71 NaCl,aq 0.69258E-08 -8.1595 0.69258E-08 -8.1595 0.10000E+01 0.0000 72 NaOH,aq 0.60618E-09 -9.2174 0.60618E-09 -9.2174 0.10000E+01 0.0000 74 OH- 0.53816E-05 -5.2691 0.51746E-05 -5.2861 0.96154E+00 -0.0170 79 HPO3-2 0.10604E-18 -18.9745 0.95664E-19 -19.0193 0.90216E+00 -0.0447 81 H2PO3- 0.22275E-19 -19.6522 0.21419E-19 -19.6692 0.96157E+00 -0.0170 82 H3PO4,aq 0.47621E-12 -12.3222 0.47621E-12 -12.3222 0.10000E+01 0.0000 83 H2PO4- 0.11699E-07 -7.9319 0.11249E-07 -7.9489 0.96159E+00 -0.0170 84 PO4-3 0.49164E-13 -13.3083 0.39909E-13 -13.3989 0.81174E+00 -0.0906 87 H2P2O7-2 0.10999E-16 -16.9587 0.99226E-17 -17.0034 0.90216E+00 -0.0447 88 HP2O7-3 0.21880E-16 -16.6599 0.17745E-16 -16.7509 0.81099E+00 -0.0910 89 P2O7-4 0.54313E-19 -19.2651 0.37966E-19 -19.4206 0.69903E+00 -0.1555 90 H2S,aq 0.41505E-07 -7.3819 0.41502E-07 -7.3819 0.99992E+00 0.0000 91 S2-2 0.63202E-16 -16.1993 0.57019E-16 -16.2440 0.90216E+00 -0.0447 96 SO2,aq 0.71202E-17 -17.1475 0.71202E-17 -17.1475 0.10000E+01 0.0000 97 SO3-2 0.18416E-13 -13.7348 0.16619E-13 -13.7794 0.90241E+00 -0.0446 98 HSO3- 0.12082E-12 -12.9178 0.11618E-12 -12.9349 0.96157E+00 -0.0170 99 HSO4- 0.25460E-08 -8.5941 0.24483E-08 -8.6111 0.96162E+00 -0.0170 101 S2O3-2 0.12295E-13 -13.9103 0.11092E-13 -13.9550 0.90216E+00 -0.0447 102 HS2O3- 0.23029E-18 -18.6377 0.22144E-18 -18.6547 0.96157E+00 -0.0170 Charge balance for all species = 0.7000E-15 Component Molality Aq.molality ppm log[A(N)/A(H+)**Z] (total) 1 H+ 0.1161044E-06 -.4836174E-05 -.4874507E-02 0.0000 2 H2O 0.1000000E+01 0.5550825E+02 0.9999843E+06 0.0000 3 Cl- 0.1379633E-03 0.1379743E-03 0.4891538E+01 3.0749 4 SO4-- 0.2521894E-04 0.2533654E-04 0.2433836E+01 9.2613 5 HCO3- 0.1061832E-04 0.1307001E-04 0.7974849E+00 1.9612 6 HS- 0.1250705E-06 0.1679539E-06 0.5554496E-02 0.0323 7 Al+++ 0.1283281E-17 0.4379027E-06 0.1181511E-01 2.8737 8 H4SiO4 0.3096828E-04 0.3123838E-04 0.3002449E+01 -4.5091 9 Ca++ 0.1778531E-04 0.1792151E-04 0.7182485E+00 9.1095 10 Mg++ 0.2372001E-05 0.2380955E-05 0.5788499E-01 8.2346 11 Fe++ 0.1018683E-06 0.1302743E-06 0.7275330E-02 6.8675 12 K+ 0.6367148E-06 0.6369434E-06 0.2490542E-01 0.7391 13 Na+ 0.1638287E-03 0.1638369E-03 0.3766527E+01 3.1495 14 Mn++ 0.5039462E-07 0.5201585E-07 0.2857608E-02 6.5618 15 HPO4-- 0.6053560E-08 0.1775275E-07 0.1703868E-02 5.6416 Component Tot moles Aq. moles Solid moles Gas moles 1 H+ -.3663555E-04 -.4836169E-05 -.3179938E-04 0.0000000E+00 2 H2O 0.5550821E+02 0.5550819E+02 0.2069740E-04 0.0000000E+00 3 Cl- 0.1379742E-03 0.1379742E-03 0.0000000E+00 0.0000000E+00 4 SO4-- 0.2558761E-04 0.2533652E-04 0.2510940E-06 0.0000000E+00 5 HCO3- 0.1307000E-04 0.1307000E-04 0.0000000E+00 0.0000000E+00 6 HS- -.8314023E-07 0.1679537E-06 -.2510940E-06 0.0000000E+00 7 Al+++ 0.9782225E-05 0.4379022E-06 0.9344323E-05 0.0000000E+00 8 H4SiO4 0.3123835E-04 0.3123835E-04 0.0000000E+00 0.0000000E+00 9 Ca++ 0.1792149E-04 0.1792149E-04 0.0000000E+00 0.0000000E+00 10 Mg++ 0.2380952E-05 0.2380952E-05 0.0000000E+00 0.0000000E+00 11 Fe++ 0.2139026E-05 0.1302742E-06 0.2008752E-05 0.0000000E+00 12 K+ 0.6369427E-06 0.6369427E-06 0.0000000E+00 0.0000000E+00 13 Na+ 0.1638367E-03 0.1638367E-03 0.0000000E+00 0.0000000E+00 14 Mn++ 0.5201579E-07 0.5201579E-07 0.0000000E+00 0.0000000E+00 15 HPO4-- 0.1775273E-07 0.1775273E-07 0.0000000E+00 0.0000000E+00 Chg. balance for solid moles: 0.8470E-21 Mass of aqueous solution: 0.100001E+04 g Temperature = 100.00 C Pressure = 50.00 bar Mixer frac. = 0.0030000 Log Log Vol Gas or mineral Moles Moles Grams Grams Wt.% (cm3) diaspore 0.9344E-05 -5.029 0.5606E-03 -3.251 77.75 0.1669E-03 hematite 0.1004E-05 -5.998 0.1604E-03 -3.795 22.25 0.3040E-04 Partial press. Fugacity coef Log fugacity Gas or Mineral Mole fraction or activity Activity coef Log activity diaspore 0.1000E+01 0.1000E+01 1.0000 0.000 hematite 0.1000E+01 0.1000E+01 1.0000 0.000 Solid products produced: Mass = 0.000721 g Volume = 0.000197 cm3 Porosity: 99.9803% V(tot) - V(min): 0.10010E+01 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: 0.0030000 g log = -2.5229 Original solution: 1000.0102895 g Original solution / Rock added: 333336.76 (Water/Rock Ratio), log = 5.5229 Gas composition at saturation ( 2 iterations) ------------------------------------------------- Temperature: 100.0000 deg.C Sat. pressure: 1.0206 bar Gas Mole fraction phi Fugacity Partial P(bar) H2O,gas 0.9997E+00 0.9859 0.1006E+01 0.1020E+01 CO2,gas 0.2536E-03 1.0071 0.2606E-03 0.2588E-03 CH4,gas 0.7468E-10 1.0125 0.7717E-10 0.7621E-10 H2,gas 0.7227E-05 1.0005 0.7379E-05 0.7375E-05 H2S,gas 0.1122E-05 0.9960 0.1141E-05 0.1145E-05 S2,gas 0.8791E-21 1.0000 0.8972E-21 0.8972E-21 CO,gas 0.5022E-12 1.0000 0.5126E-12 0.5126E-12 SO3,gas 0.1051E-33 1.0000 0.1073E-33 0.1073E-33 SO2,gas 0.3017E-16 1.0000 0.3079E-16 0.3079E-16 HCl,gas 0.4693E-14 1.0000 0.4789E-14 0.4789E-14 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 65 diaspore 2.87 2.87 0.00 0.000 0.30331E-11 90 hematite 12.57 12.57 0.00 0.000 0.30331E-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 -1.696 0.28965E+04 0.003 2 CO2,gas -6.66 -11.94 -5.28 -1.761 0.90205E+04 -3.584 3 CH4,gas 4.54 -7.27 -11.81 -2.953 0.20168E+05 -10.113 4 H2,gas 8.00 1.17 -6.83 -3.903 0.11664E+05 -5.132 5 H2S,gas -6.23 -13.87 -7.64 -3.821 0.13048E+05 -5.943 6 S2,gas -7.34 -30.08 -22.75 -3.499 0.38838E+05 -21.047 7 CO,gas 3.21 -10.77 -13.99 -4.304 0.23886E+05 -12.290 8 SO3,gas 17.12 -18.55 -35.67 -8.917 0.60903E+05 -33.970 9 SO2,gas 0.83 -17.38 -18.21 -4.856 0.31094E+05 -16.512 10 HCl,gas 5.19 -10.83 -16.02 -8.009 0.27351E+05 -14.320 21 andalusite 5.00 1.24 -3.76 -0.376 0.64256E+04 24 anhydrite -5.32 -9.44 -4.12 -2.060 0.70363E+04 32 apatite-OH -18.15 -20.95 -2.80 -0.215 0.47802E+04 35 aragonite 0.97 -2.83 -3.80 -1.267 0.64885E+04 36 brucite 12.57 8.23 -4.33 -0.867 0.74002E+04 37 calcite 0.81 -2.83 -3.65 -1.215 0.62243E+04 40 carpholite-Mg 8.58 4.96 -3.62 -0.241 0.61781E+04 41 carpholite-Fe 6.71 3.60 -3.12 -0.208 0.53203E+04 47 daphnite 28.97 26.56 -2.41 -0.075 0.41109E+04 50 chloritoid-Mg 13.20 9.47 -3.72 -0.248 0.63600E+04 51 chloritoid-Fe 9.17 8.11 -1.07 -0.071 0.18233E+04 52 chloritoid-Mn 11.40 7.80 -3.60 -0.240 0.61485E+04 54 coesite -2.38 -4.51 -2.13 -0.711 0.36421E+04 59 corundum 8.38 5.75 -2.64 -0.240 0.45004E+04 61 cristobalite -2.56 -4.51 -1.95 -0.650 0.33274E+04 78 fayalite 14.05 9.23 -4.82 -0.689 0.82297E+04 83 gibbsite 4.08 2.87 -1.21 -0.172 0.20585E+04 87 greenalite 16.14 11.58 -4.56 -0.380 0.77779E+04 92 hercynite 17.28 12.61 -4.66 -0.311 0.79631E+04 98 kaolinite -1.33 -3.27 -1.94 -0.176 0.33091E+04 99 kyanite 4.88 1.24 -3.64 -0.364 0.62115E+04 102 lawsonite 9.62 5.84 -3.78 -0.252 0.64496E+04 106 magnesite 0.69 -3.71 -4.40 -1.466 0.75114E+04 107 magnetite 20.09 19.43 -0.65 -0.053 0.11162E+04 128 periclase-Fe 11.63 6.87 -4.76 -1.190 0.81260E+04 142 pyrite -21.25 -22.05 -0.80 -0.188 0.13632E+04 143 pyrrhotite -4.26 -7.00 -2.74 -0.915 0.46856E+04 144 pyrrhotiteFe0.875 -6.02 -8.01 -1.99 -0.732 0.33994E+04 147 quartz -2.99 -4.51 -1.52 -0.507 0.25948E+04 151 rhodochrosite -0.98 -5.38 -4.40 -1.468 0.75213E+04 155 siderite -2.61 -5.08 -2.47 -0.822 0.42131E+04 156 sillimanite 5.26 1.24 -4.02 -0.402 0.68695E+04 177 topaz-H 4.62 1.24 -3.38 -0.307 0.57716E+04 178 tridymite -2.63 -4.51 -1.88 -0.628 0.32147E+04 181 troilite-low -4.41 -7.00 -2.59 -0.865 0.44284E+04 192 akaganeite 7.75 6.28 -1.47 -0.318 0.25125E+04 199 chalcedony -2.80 -4.51 -1.71 -0.569 0.29141E+04 205 nontronite-Ca 3.21 -1.53 -4.75 -0.308 0.81025E+04 208 nontronite-Mg 3.07 -1.68 -4.75 -0.308 0.81101E+04 214 gypsum -4.96 -9.44 -4.48 -1.121 0.76538E+04 233 boehmite 4.41 2.87 -1.53 -0.255 0.26169E+04 235 ferrous-oxide 9.81 6.87 -2.94 -0.736 0.50270E+04 240 silica-amorphous -2.09 -4.51 -2.42 -0.806 0.41282E+04 Calculations done for 100.0000 Deg. C; 50.0000 bar Next reactant titration increment of: 0.0001000 g Current total amount of reactant added: 0.0030000 g New total amount of reactant added: 0.0031000 g Solids and gases carried Charge balance check after fractionation or titration: TBAL = 0.7000E-15 ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ 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 = 0.0031000 Water: Moles liquid = 0.5551E+02 kg liquid = 0.1000E+01 Moles total = 0.5551E+02 kg total = 0.1000E+01 Activity = 1.0000 Stoichiometric ionic strength = .2520430E-03 Osmotic coef. = 0.9904 True ionic strength = .2514835E-03 Chg. balance for total moles = 0.7000E-15 Max. difference allowed = 0.1380E-07 Log Log Log Species(n) Molality Molality Activity Activity Gamma Gamma 1 H+ 0.10919E-06 -6.9618 0.10500E-06 -6.9788 0.96165E+00 -0.0170 2 H2O 0.10000E+01 0.0000 0.10000E+01 0.0000 3 Cl- 0.13796E-03 -3.8602 0.13266E-03 -3.8773 0.96155E+00 -0.0170 4 SO4-- 0.25211E-04 -4.5984 0.22743E-04 -4.6432 0.90210E+00 -0.0447 5 HCO3- 0.10737E-04 -4.9691 0.10324E-04 -4.9861 0.96157E+00 -0.0170 6 HS- 0.13271E-06 -6.8771 0.12761E-06 -6.8941 0.96155E+00 -0.0170 7 Al+++ 0.10675E-17 -17.9716 0.86555E-18 -18.0627 0.81078E+00 -0.0911 8 H4SiO4 0.31983E-04 -4.4951 0.31983E-04 -4.4951 0.10000E+01 0.0000 9 Ca++ 0.17899E-04 -4.7472 0.16144E-04 -4.7920 0.90197E+00 -0.0448 10 Mg++ 0.24505E-05 -5.6107 0.22101E-05 -5.6556 0.90190E+00 -0.0448 11 Fe++ 0.91475E-07 -7.0387 0.82503E-07 -7.0835 0.90192E+00 -0.0448 12 K+ 0.65794E-06 -6.1818 0.63266E-06 -6.1988 0.96158E+00 -0.0170 13 Na+ 0.16395E-03 -3.7853 0.15765E-03 -3.8023 0.96154E+00 -0.0170 14 Mn++ 0.51993E-07 -7.2841 0.46894E-07 -7.3289 0.90193E+00 -0.0448 15 HPO4-- 0.65114E-08 -8.1863 0.58739E-08 -8.2311 0.90210E+00 -0.0447 16 HSiO3- 0.29579E-06 -6.5290 0.28441E-06 -6.5461 0.96155E+00 -0.0170 17 Ca(HSiO3)+ 0.10875E-09 -9.9636 0.10457E-09 -9.9806 0.96158E+00 -0.0170 18 Mg(HSiO3)+ 0.18527E-10 -10.7322 0.17816E-10 -10.7492 0.96158E+00 -0.0170 19 NaHSiO3,aq 0.72518E-09 -9.1396 0.72518E-09 -9.1396 0.10000E+01 0.0000 20 AlO+ 0.11107E-10 -10.9544 0.10680E-10 -10.9714 0.96158E+00 -0.0170 21 AlOH+2 0.61911E-14 -14.2082 0.55840E-14 -14.2531 0.90195E+00 -0.0448 22 HAlO2,aq 0.20256E-07 -7.6935 0.20256E-07 -7.6935 0.10000E+01 0.0000 23 AlO2- 0.44411E-06 -6.3525 0.42702E-06 -6.3696 0.96151E+00 -0.0170 24 CH4,aq 0.56278E-13 -13.2497 0.56273E-13 -13.2497 0.99992E+00 0.0000 29 CO,aq 0.33713E-15 -15.4722 0.33713E-15 -15.4722 0.10000E+01 0.0000 30 CO2,aq 0.23166E-05 -5.6351 0.23164E-05 -5.6352 0.99992E+00 0.0000 31 CO3-2 0.95208E-08 -8.0213 0.85884E-08 -8.0661 0.90206E+00 -0.0448 32 CaCO3,aq 0.17385E-08 -8.7598 0.17385E-08 -8.7598 0.10000E+01 0.0000 33 Ca(HCO3)+ 0.44246E-08 -8.3541 0.42546E-08 -8.3711 0.96158E+00 -0.0170 34 CaCl+ 0.36043E-08 -8.4432 0.34659E-08 -8.4602 0.96158E+00 -0.0170 35 CaCl2,aq 0.10923E-12 -12.9616 0.10923E-12 -12.9616 0.10000E+01 0.0000 36 CaOH+ 0.11396E-07 -7.9433 0.10958E-07 -7.9603 0.96158E+00 -0.0170 37 CaSO4,aq 0.11659E-06 -6.9333 0.11659E-06 -6.9333 0.10000E+01 0.0000 38 HCl,aq 0.25525E-11 -11.5930 0.25525E-11 -11.5930 0.10000E+01 0.0000 43 FeCl+ 0.18016E-10 -10.7443 0.17324E-10 -10.7614 0.96158E+00 -0.0170 44 FeCl2,aq 0.72759E-19 -19.1381 0.72759E-19 -19.1381 0.10000E+01 0.0000 46 FeO,aq 0.29083E-09 -9.5364 0.29083E-09 -9.5364 0.10000E+01 0.0000 47 FeOH+ 0.26598E-07 -7.5752 0.25576E-07 -7.5922 0.96158E+00 -0.0170 48 HFeO2- 0.30139E-10 -10.5209 0.28980E-10 -10.5379 0.96155E+00 -0.0170 49 FeO+ 0.83349E-12 -12.0791 0.80147E-12 -12.0961 0.96158E+00 -0.0170 50 FeOH+2 0.17819E-16 -16.7491 0.16071E-16 -16.7939 0.90195E+00 -0.0448 51 FeO2- 0.15469E-10 -10.8105 0.14874E-10 -10.8276 0.96155E+00 -0.0170 52 HFeO2,aq 0.19864E-09 -9.7019 0.19864E-09 -9.7019 0.10000E+01 0.0000 53 H2,aq 0.57940E-08 -8.2370 0.57936E-08 -8.2371 0.99992E+00 0.0000 54 KCl,aq 0.15211E-11 -11.8178 0.15211E-11 -11.8178 0.10000E+01 0.0000 55 KHSO4,aq 0.42716E-17 -17.3694 0.42716E-17 -17.3694 0.10000E+01 0.0000 56 KOH,aq 0.25731E-11 -11.5895 0.25731E-11 -11.5895 0.10000E+01 0.0000 57 KSO4- 0.23220E-09 -9.6341 0.22327E-09 -9.6512 0.96155E+00 -0.0170 58 MgCO3,aq 0.59658E-10 -10.2243 0.59658E-10 -10.2243 0.10000E+01 0.0000 59 Mg(HCO3)+ 0.61895E-09 -9.2083 0.59517E-09 -9.2254 0.96158E+00 -0.0170 60 MgCl+ 0.44722E-09 -9.3495 0.43004E-09 -9.3665 0.96158E+00 -0.0170 61 MgOH+ 0.86325E-08 -8.0639 0.83009E-08 -8.0809 0.96158E+00 -0.0170 63 MnO,aq 0.44047E-11 -11.3561 0.44047E-11 -11.3561 0.10000E+01 0.0000 64 MnOH+ 0.14044E-08 -8.8525 0.13505E-08 -8.8695 0.96158E+00 -0.0170 65 MnO2-2 0.14698E-19 -19.8327 0.13258E-19 -19.8775 0.90206E+00 -0.0448 66 HMnO2- 0.31720E-15 -15.4987 0.30500E-15 -15.5157 0.96155E+00 -0.0170 69 MnCl+ 0.39838E-10 -10.3997 0.38308E-10 -10.4167 0.96158E+00 -0.0170 70 MnSO4,aq 0.30789E-09 -9.5116 0.30789E-09 -9.5116 0.10000E+01 0.0000 71 NaCl,aq 0.69307E-08 -8.1592 0.69307E-08 -8.1592 0.10000E+01 0.0000 72 NaOH,aq 0.64507E-09 -9.1904 0.64507E-09 -9.1904 0.10000E+01 0.0000 74 OH- 0.57227E-05 -5.2424 0.55025E-05 -5.2594 0.96151E+00 -0.0170 79 HPO3-2 0.11757E-18 -18.9297 0.10605E-18 -18.9745 0.90206E+00 -0.0448 81 H2PO3- 0.23223E-19 -19.6341 0.22330E-19 -19.6511 0.96155E+00 -0.0170 82 H3PO4,aq 0.45295E-12 -12.3440 0.45295E-12 -12.3440 0.10000E+01 0.0000 83 H2PO4- 0.11833E-07 -7.9269 0.11378E-07 -7.9439 0.96156E+00 -0.0170 84 PO4-3 0.56241E-13 -13.2499 0.45642E-13 -13.3406 0.81153E+00 -0.0907 87 H2P2O7-2 0.11253E-16 -16.9487 0.10151E-16 -16.9935 0.90206E+00 -0.0448 88 HP2O7-3 0.23807E-16 -16.6233 0.19303E-16 -16.7144 0.81079E+00 -0.0911 89 P2O7-4 0.62853E-19 -19.2017 0.43917E-19 -19.3574 0.69871E+00 -0.1557 90 H2S,aq 0.41416E-07 -7.3828 0.41412E-07 -7.3829 0.99992E+00 0.0000 91 S2-2 0.69044E-16 -16.1609 0.62282E-16 -16.2056 0.90206E+00 -0.0448 96 SO2,aq 0.64878E-17 -17.1879 0.64878E-17 -17.1879 0.10000E+01 0.0000 97 SO3-2 0.18976E-13 -13.7218 0.17122E-13 -13.7664 0.90231E+00 -0.0446 98 HSO3- 0.11707E-12 -12.9316 0.11257E-12 -12.9486 0.96155E+00 -0.0170 99 HSO4- 0.23933E-08 -8.6210 0.23014E-08 -8.6380 0.96160E+00 -0.0170 101 S2O3-2 0.12265E-13 -13.9113 0.11063E-13 -13.9561 0.90206E+00 -0.0448 102 HS2O3- 0.21602E-18 -18.6655 0.20771E-18 -18.6825 0.96155E+00 -0.0170 Charge balance for all species = 0.7000E-15 Component Molality Aq.molality ppm log[A(N)/A(H+)**Z] (total) 1 H+ 0.1091892E-06 -.5437700E-05 -.5480800E-02 0.0000 2 H2O 0.1000000E+01 0.5550825E+02 0.9999842E+06 0.0000 3 Cl- 0.1379633E-03 0.1379743E-03 0.4891537E+01 3.1015 4 SO4-- 0.2521085E-04 0.2532895E-04 0.2433106E+01 9.3144 5 HCO3- 0.1073703E-04 0.1307002E-04 0.7974848E+00 1.9927 6 HS- 0.1327137E-06 0.1755511E-06 0.5805747E-02 0.0847 7 Al+++ 0.1067549E-17 0.4643772E-06 0.1252942E-01 2.8737 8 H4SiO4 0.3198303E-04 0.3227966E-04 0.3102530E+01 -4.4951 9 Ca++ 0.1789866E-04 0.1803652E-04 0.7228579E+00 9.1656 10 Mg++ 0.2450543E-05 0.2460320E-05 0.5981449E-01 8.3020 11 Fe++ 0.9147507E-07 0.1186270E-06 0.6624873E-02 6.8741 12 K+ 0.6579386E-06 0.6581749E-06 0.2573560E-01 0.7800 13 Na+ 0.1639541E-03 0.1639624E-03 0.3769412E+01 3.1765 14 Mn++ 0.5199315E-07 0.5374971E-07 0.2952861E-02 6.6287 15 HPO4-- 0.6511386E-08 0.1834451E-07 0.1760664E-02 5.7265 Component Tot moles Aq. moles Solid moles Gas moles 1 H+ -.3829140E-04 -.5437694E-05 -.3285370E-04 0.0000000E+00 2 H2O 0.5550821E+02 0.5550819E+02 0.2137954E-04 0.0000000E+00 3 Cl- 0.1379742E-03 0.1379742E-03 0.0000000E+00 0.0000000E+00 4 SO4-- 0.2559038E-04 0.2532892E-04 0.2614625E-06 0.0000000E+00 5 HCO3- 0.1307000E-04 0.1307000E-04 0.0000000E+00 0.0000000E+00 6 HS- -.8591157E-07 0.1755509E-06 -.2614625E-06 0.0000000E+00 7 Al+++ 0.1010830E-04 0.4643767E-06 0.9643922E-05 0.0000000E+00 8 H4SiO4 0.3227963E-04 0.3227963E-04 0.0000000E+00 0.0000000E+00 9 Ca++ 0.1803650E-04 0.1803650E-04 0.0000000E+00 0.0000000E+00 10 Mg++ 0.2460317E-05 0.2460317E-05 0.0000000E+00 0.0000000E+00 11 Fe++ 0.2210327E-05 0.1186269E-06 0.2091700E-05 0.0000000E+00 12 K+ 0.6581741E-06 0.6581741E-06 0.0000000E+00 0.0000000E+00 13 Na+ 0.1639623E-03 0.1639623E-03 0.0000000E+00 0.0000000E+00 14 Mn++ 0.5374965E-07 0.5374965E-07 0.0000000E+00 0.0000000E+00 15 HPO4-- 0.1834449E-07 0.1834449E-07 0.0000000E+00 0.0000000E+00 Chg. balance for solid moles: 0.7623E-20 Mass of aqueous solution: 0.100001E+04 g Temperature = 100.00 C Pressure = 50.00 bar Mixer frac. = 0.0031000 Log Log Vol Gas or mineral Moles Moles Grams Grams Wt.% (cm3) diaspore 0.9644E-05 -5.016 0.5785E-03 -3.238 77.60 0.1722E-03 hematite 0.1046E-05 -5.981 0.1670E-03 -3.777 22.40 0.3166E-04 Partial press. Fugacity coef Log fugacity Gas or Mineral Mole fraction or activity Activity coef Log activity diaspore 0.1000E+01 0.1000E+01 1.0000 0.000 hematite 0.1000E+01 0.1000E+01 1.0000 0.000 Solid products produced: Mass = 0.000746 g Volume = 0.000204 cm3 Porosity: 99.9796% V(tot) - V(min): 0.10010E+01 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: 0.0031000 g log = -2.5086 Original solution: 1000.0102895 g Original solution / Rock added: 322583.96 (Water/Rock Ratio), log = 5.5086 Gas composition at saturation ( 2 iterations) ------------------------------------------------- Temperature: 100.0000 deg.C Sat. pressure: 1.0206 bar Gas Mole fraction phi Fugacity Partial P(bar) H2O,gas 0.9998E+00 0.9859 0.1006E+01 0.1020E+01 CO2,gas 0.2411E-03 1.0071 0.2478E-03 0.2461E-03 CH4,gas 0.8016E-10 1.0125 0.8283E-10 0.8181E-10 H2,gas 0.7449E-05 1.0005 0.7606E-05 0.7602E-05 H2S,gas 0.1120E-05 0.9960 0.1138E-05 0.1143E-05 S2,gas 0.8239E-21 1.0000 0.8408E-21 0.8408E-21 CO,gas 0.4923E-12 1.0000 0.5024E-12 0.5024E-12 SO3,gas 0.9290E-34 1.0000 0.9481E-34 0.9481E-34 SO2,gas 0.2749E-16 1.0000 0.2806E-16 0.2806E-16 HCl,gas 0.4413E-14 1.0000 0.4504E-14 0.4504E-14 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 65 diaspore 2.87 2.87 0.00 0.000 -0.30331E-11 90 hematite 12.57 12.57 0.00 0.000 -0.30331E-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 -1.696 0.28965E+04 0.003 2 CO2,gas -6.66 -11.96 -5.30 -1.768 0.90578E+04 -3.606 3 CH4,gas 4.54 -7.24 -11.78 -2.945 0.20115E+05 -10.082 4 H2,gas 8.00 1.18 -6.82 -3.896 0.11641E+05 -5.119 5 H2S,gas -6.23 -13.87 -7.64 -3.821 0.13050E+05 -5.944 6 S2,gas -7.34 -30.11 -22.77 -3.504 0.38886E+05 -21.075 7 CO,gas 3.21 -10.78 -14.00 -4.307 0.23901E+05 -12.299 8 SO3,gas 17.12 -18.60 -35.72 -8.931 0.60995E+05 -34.023 9 SO2,gas 0.83 -17.42 -18.25 -4.867 0.31163E+05 -16.552 10 HCl,gas 5.19 -10.86 -16.05 -8.023 0.27397E+05 -14.346 21 andalusite 5.00 1.25 -3.75 -0.375 0.64017E+04 24 anhydrite -5.32 -9.44 -4.12 -2.059 0.70320E+04 32 apatite-OH -18.15 -20.74 -2.58 -0.199 0.44129E+04 35 aragonite 0.97 -2.80 -3.77 -1.255 0.64301E+04 36 brucite 12.57 8.30 -4.27 -0.853 0.72850E+04 37 calcite 0.81 -2.80 -3.61 -1.204 0.61658E+04 40 carpholite-Mg 8.58 5.06 -3.52 -0.235 0.60151E+04 41 carpholite-Fe 6.71 3.63 -3.08 -0.205 0.52613E+04 47 daphnite 28.97 26.63 -2.33 -0.073 0.39831E+04 50 chloritoid-Mg 13.20 9.55 -3.64 -0.243 0.62209E+04 51 chloritoid-Fe 9.17 8.13 -1.05 -0.070 0.17881E+04 52 chloritoid-Mn 11.40 7.88 -3.52 -0.235 0.60104E+04 54 coesite -2.38 -4.50 -2.12 -0.706 0.36182E+04 59 corundum 8.38 5.75 -2.64 -0.240 0.45004E+04 61 cristobalite -2.56 -4.50 -1.93 -0.645 0.33035E+04 78 fayalite 14.05 9.25 -4.79 -0.685 0.81833E+04 83 gibbsite 4.08 2.87 -1.21 -0.172 0.20585E+04 87 greenalite 16.14 11.63 -4.51 -0.376 0.76963E+04 92 hercynite 17.28 12.62 -4.66 -0.310 0.79518E+04 98 kaolinite -1.33 -3.24 -1.91 -0.174 0.32613E+04 99 kyanite 4.88 1.25 -3.62 -0.362 0.61876E+04 102 lawsonite 9.62 5.92 -3.69 -0.246 0.63061E+04 106 magnesite 0.69 -3.66 -4.35 -1.451 0.74335E+04 107 magnetite 20.09 19.44 -0.65 -0.053 0.11050E+04 128 periclase-Fe 11.63 6.87 -4.75 -1.188 0.81148E+04 142 pyrite -21.25 -22.05 -0.81 -0.190 0.13776E+04 143 pyrrhotite -4.26 -7.00 -2.74 -0.913 0.46760E+04 144 pyrrhotiteFe0.875 -6.02 -8.00 -1.99 -0.731 0.33940E+04 147 quartz -2.99 -4.50 -1.51 -0.502 0.25708E+04 151 rhodochrosite -0.98 -5.34 -4.36 -1.453 0.74444E+04 155 siderite -2.61 -5.09 -2.48 -0.828 0.42392E+04 156 sillimanite 5.26 1.25 -4.01 -0.401 0.68456E+04 177 topaz-H 4.62 1.25 -3.37 -0.306 0.57477E+04 178 tridymite -2.63 -4.50 -1.87 -0.623 0.31908E+04 181 troilite-low -4.41 -7.00 -2.59 -0.863 0.44188E+04 192 akaganeite 7.75 6.28 -1.47 -0.318 0.25125E+04 199 chalcedony -2.80 -4.50 -1.69 -0.564 0.28901E+04 205 nontronite-Ca 3.21 -1.47 -4.68 -0.304 0.79989E+04 208 nontronite-Mg 3.07 -1.61 -4.69 -0.304 0.80033E+04 214 gypsum -4.96 -9.44 -4.48 -1.120 0.76495E+04 233 boehmite 4.41 2.87 -1.53 -0.255 0.26169E+04 235 ferrous-oxide 9.81 6.87 -2.94 -0.734 0.50157E+04 240 silica-amorphous -2.09 -4.50 -2.40 -0.801 0.41043E+04 Calculations done for 100.0000 Deg. C; 50.0000 bar Next reactant titration increment of: 0.0001000 g Current total amount of reactant added: 0.0031000 g New total amount of reactant added: 0.0032000 g Solids and gases carried Charge balance check after fractionation or titration: TBAL = 0.7000E-15 ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ 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 = 0.0032000 Water: Moles liquid = 0.5551E+02 kg liquid = 0.1000E+01 Moles total = 0.5551E+02 kg total = 0.1000E+01 Activity = 1.0000 Stoichiometric ionic strength = .2526005E-03 Osmotic coef. = 0.9904 True ionic strength = .2521708E-03 Chg. balance for total moles = 0.7000E-15 Max. difference allowed = 0.1380E-07 Log Log Log Species(n) Molality Molality Activity Activity Gamma Gamma 1 H+ 0.10290E-06 -6.9876 0.98949E-07 -7.0046 0.96163E+00 -0.0170 2 H2O 0.10000E+01 0.0000 0.10000E+01 0.0000 3 Cl- 0.13796E-03 -3.8602 0.13265E-03 -3.8773 0.96152E+00 -0.0170 4 SO4-- 0.25203E-04 -4.5985 0.22733E-04 -4.6433 0.90199E+00 -0.0448 5 HCO3- 0.10847E-04 -4.9647 0.10430E-04 -4.9817 0.96154E+00 -0.0170 6 HS- 0.14026E-06 -6.8531 0.13486E-06 -6.8701 0.96152E+00 -0.0170 7 Al+++ 0.89358E-18 -18.0489 0.72431E-18 -18.1401 0.81057E+00 -0.0912 8 H4SiO4 0.32996E-04 -4.4815 0.32996E-04 -4.4815 0.10000E+01 0.0000 9 Ca++ 0.18012E-04 -4.7444 0.16244E-04 -4.7893 0.90187E+00 -0.0449 10 Mg++ 0.25290E-05 -5.5970 0.22807E-05 -5.6419 0.90179E+00 -0.0449 11 Fe++ 0.82418E-07 -7.0840 0.74326E-07 -7.1289 0.90181E+00 -0.0449 12 K+ 0.67916E-06 -6.1680 0.65305E-06 -6.1851 0.96155E+00 -0.0170 13 Na+ 0.16408E-03 -3.7849 0.15777E-03 -3.8020 0.96152E+00 -0.0170 14 Mn++ 0.53584E-07 -7.2710 0.48324E-07 -7.3158 0.90183E+00 -0.0449 15 HPO4-- 0.69814E-08 -8.1561 0.62972E-08 -8.2009 0.90200E+00 -0.0448 16 HSiO3- 0.32383E-06 -6.4897 0.31137E-06 -6.5067 0.96152E+00 -0.0170 17 Ca(HSiO3)+ 0.11980E-09 -9.9216 0.11519E-09 -9.9386 0.96155E+00 -0.0170 18 Mg(HSiO3)+ 0.20932E-10 -10.6792 0.20127E-10 -10.6962 0.96155E+00 -0.0170 19 NaHSiO3,aq 0.79451E-09 -9.0999 0.79451E-09 -9.0999 0.10000E+01 0.0000 20 AlO+ 0.10467E-10 -10.9802 0.10064E-10 -10.9972 0.96155E+00 -0.0170 21 AlOH+2 0.54984E-14 -14.2598 0.49587E-14 -14.3046 0.90184E+00 -0.0449 22 HAlO2,aq 0.20256E-07 -7.6935 0.20256E-07 -7.6935 0.10000E+01 0.0000 23 AlO2- 0.47129E-06 -6.3267 0.45314E-06 -6.3438 0.96149E+00 -0.0171 24 CH4,aq 0.60111E-13 -13.2210 0.60106E-13 -13.2211 0.99992E+00 0.0000 29 CO,aq 0.33032E-15 -15.4811 0.33032E-15 -15.4811 0.10000E+01 0.0000 30 CO2,aq 0.22054E-05 -5.6565 0.22052E-05 -5.6565 0.99992E+00 0.0000 31 CO3-2 0.10208E-07 -7.9911 0.92071E-08 -8.0359 0.90196E+00 -0.0448 32 CaCO3,aq 0.18754E-08 -8.7269 0.18754E-08 -8.7269 0.10000E+01 0.0000 33 Ca(HCO3)+ 0.44979E-08 -8.3470 0.43249E-08 -8.3640 0.96155E+00 -0.0170 34 CaCl+ 0.36267E-08 -8.4405 0.34873E-08 -8.4575 0.96155E+00 -0.0170 35 CaCl2,aq 0.10991E-12 -12.9590 0.10991E-12 -12.9590 0.10000E+01 0.0000 36 CaOH+ 0.12168E-07 -7.9148 0.11700E-07 -7.9318 0.96155E+00 -0.0170 37 CaSO4,aq 0.11726E-06 -6.9308 0.11726E-06 -6.9308 0.10000E+01 0.0000 38 HCl,aq 0.24053E-11 -11.6188 0.24053E-11 -11.6188 0.10000E+01 0.0000 43 FeCl+ 0.16230E-10 -10.7897 0.15606E-10 -10.8067 0.96155E+00 -0.0170 44 FeCl2,aq 0.65543E-19 -19.1835 0.65543E-19 -19.1835 0.10000E+01 0.0000 46 FeO,aq 0.29504E-09 -9.5301 0.29504E-09 -9.5301 0.10000E+01 0.0000 47 FeOH+ 0.25428E-07 -7.5947 0.24451E-07 -7.6117 0.96155E+00 -0.0170 48 HFeO2- 0.32447E-10 -10.4888 0.31199E-10 -10.5059 0.96152E+00 -0.0170 49 FeO+ 0.78546E-12 -12.1049 0.75526E-12 -12.1219 0.96155E+00 -0.0170 50 FeOH+2 0.15825E-16 -16.8007 0.14272E-16 -16.8455 0.90184E+00 -0.0449 51 FeO2- 0.16416E-10 -10.7847 0.15784E-10 -10.8018 0.96152E+00 -0.0170 52 HFeO2,aq 0.19864E-09 -9.7019 0.19864E-09 -9.7019 0.10000E+01 0.0000 53 H2,aq 0.59631E-08 -8.2245 0.59627E-08 -8.2246 0.99992E+00 0.0000 54 KCl,aq 0.15701E-11 -11.8041 0.15701E-11 -11.8041 0.10000E+01 0.0000 55 KHSO4,aq 0.41533E-17 -17.3816 0.41533E-17 -17.3816 0.10000E+01 0.0000 56 KOH,aq 0.28185E-11 -11.5500 0.28185E-11 -11.5500 0.10000E+01 0.0000 57 KSO4- 0.23959E-09 -9.6205 0.23037E-09 -9.6376 0.96152E+00 -0.0170 58 MgCO3,aq 0.65997E-10 -10.1805 0.65997E-10 -10.1805 0.10000E+01 0.0000 59 Mg(HCO3)+ 0.64526E-09 -9.1903 0.62045E-09 -9.2073 0.96155E+00 -0.0170 60 MgCl+ 0.46149E-09 -9.3358 0.44375E-09 -9.3529 0.96155E+00 -0.0170 61 MgOH+ 0.94533E-08 -8.0244 0.90899E-08 -8.0414 0.96155E+00 -0.0170 63 MnO,aq 0.51113E-11 -11.2915 0.51113E-11 -11.2915 0.10000E+01 0.0000 64 MnOH+ 0.15358E-08 -8.8137 0.14768E-08 -8.8307 0.96155E+00 -0.0170 65 MnO2-2 0.19209E-19 -19.7165 0.17326E-19 -19.7613 0.90196E+00 -0.0448 66 HMnO2- 0.39062E-15 -15.4082 0.37558E-15 -15.4253 0.96152E+00 -0.0170 69 MnCl+ 0.41053E-10 -10.3867 0.39475E-10 -10.4037 0.96155E+00 -0.0170 70 MnSO4,aq 0.31714E-09 -9.4987 0.31714E-09 -9.4987 0.10000E+01 0.0000 71 NaCl,aq 0.69357E-08 -8.1589 0.69357E-08 -8.1589 0.10000E+01 0.0000 72 NaOH,aq 0.68504E-09 -9.1643 0.68504E-09 -9.1643 0.10000E+01 0.0000 74 OH- 0.60730E-05 -5.2166 0.58391E-05 -5.2337 0.96149E+00 -0.0171 79 HPO3-2 0.12973E-18 -18.8870 0.11701E-18 -18.9318 0.90196E+00 -0.0448 81 H2PO3- 0.24147E-19 -19.6171 0.23218E-19 -19.6342 0.96152E+00 -0.0170 82 H3PO4,aq 0.43121E-12 -12.3653 0.43121E-12 -12.3653 0.10000E+01 0.0000 83 H2PO4- 0.11954E-07 -7.9225 0.11495E-07 -7.9395 0.96154E+00 -0.0170 84 PO4-3 0.64000E-13 -13.1938 0.51924E-13 -13.2846 0.81133E+00 -0.0908 87 H2P2O7-2 0.11486E-16 -16.9398 0.10360E-16 -16.9846 0.90196E+00 -0.0448 88 HP2O7-3 0.25791E-16 -16.5885 0.20906E-16 -16.6797 0.81058E+00 -0.0912 89 P2O7-4 0.72272E-19 -19.1410 0.50474E-19 -19.2969 0.69840E+00 -0.1559 90 H2S,aq 0.41246E-07 -7.3846 0.41243E-07 -7.3847 0.99992E+00 0.0000 91 S2-2 0.74936E-16 -16.1253 0.67589E-16 -16.1701 0.90196E+00 -0.0448 96 SO2,aq 0.59269E-17 -17.2272 0.59269E-17 -17.2272 0.10000E+01 0.0000 97 SO3-2 0.19524E-13 -13.7094 0.17614E-13 -13.7541 0.90220E+00 -0.0447 98 HSO3- 0.11350E-12 -12.9450 0.10913E-12 -12.9621 0.96152E+00 -0.0170 99 HSO4- 0.22544E-08 -8.6470 0.21678E-08 -8.6640 0.96157E+00 -0.0170 101 S2O3-2 0.12211E-13 -13.9133 0.11013E-13 -13.9581 0.90196E+00 -0.0448 102 HS2O3- 0.20265E-18 -18.6933 0.19485E-18 -18.7103 0.96152E+00 -0.0170 Charge balance for all species = 0.6999E-15 Component Molality Aq.molality ppm log[A(N)/A(H+)**Z] (total) 1 H+ 0.1028970E-06 -.6044027E-05 -.6091932E-02 0.0000 2 H2O 0.1000000E+01 0.5550825E+02 0.9999841E+06 0.0000 3 Cl- 0.1379633E-03 0.1379743E-03 0.4891537E+01 3.1273 4 SO4-- 0.2520292E-04 0.2532153E-04 0.2432393E+01 9.3658 5 HCO3- 0.1084730E-04 0.1307002E-04 0.7974848E+00 2.0229 6 HS- 0.1402601E-06 0.1829700E-06 0.6051101E-02 0.1345 7 Al+++ 0.8935762E-18 0.4915608E-06 0.1326286E-01 2.8737 8 H4SiO4 0.3299618E-04 0.3332095E-04 0.3202612E+01 -4.4815 9 Ca++ 0.1801199E-04 0.1815154E-04 0.7274673E+00 9.2199 10 Mg++ 0.2529039E-05 0.2539686E-05 0.6174398E-01 8.3672 11 Fe++ 0.8241793E-07 0.1084060E-06 0.6054065E-02 6.8803 12 K+ 0.6791624E-06 0.6794063E-06 0.2656578E-01 0.8195 13 Na+ 0.1640796E-03 0.1640880E-03 0.3772298E+01 3.2026 14 Mn++ 0.5358444E-07 0.5548357E-07 0.3048115E-02 6.6933 15 HPO4-- 0.6981431E-08 0.1893627E-07 0.1817459E-02 5.8083 Component Tot moles Aq. moles Solid moles Gas moles 1 H+ -.3994725E-04 -.6044020E-05 -.3390323E-04 0.0000000E+00 2 H2O 0.5550821E+02 0.5550819E+02 0.2205885E-04 0.0000000E+00 3 Cl- 0.1379742E-03 0.1379742E-03 0.0000000E+00 0.0000000E+00 4 SO4-- 0.2559315E-04 0.2532150E-04 0.2716527E-06 0.0000000E+00 5 HCO3- 0.1307000E-04 0.1307000E-04 0.0000000E+00 0.0000000E+00 6 HS- -.8868291E-07 0.1829698E-06 -.2716527E-06 0.0000000E+00 7 Al+++ 0.1043437E-04 0.4915602E-06 0.9942813E-05 0.0000000E+00 8 H4SiO4 0.3332091E-04 0.3332091E-04 0.0000000E+00 0.0000000E+00 9 Ca++ 0.1815152E-04 0.1815152E-04 0.0000000E+00 0.0000000E+00 10 Mg++ 0.2539683E-05 0.2539683E-05 0.0000000E+00 0.0000000E+00 11 Fe++ 0.2281627E-05 0.1084058E-06 0.2173222E-05 0.0000000E+00 12 K+ 0.6794055E-06 0.6794055E-06 0.0000000E+00 0.0000000E+00 13 Na+ 0.1640878E-03 0.1640878E-03 0.0000000E+00 0.0000000E+00 14 Mn++ 0.5548351E-07 0.5548351E-07 0.0000000E+00 0.0000000E+00 15 HPO4-- 0.1893625E-07 0.1893625E-07 0.0000000E+00 0.0000000E+00 Chg. balance for solid moles: 0.3388E-20 Mass of aqueous solution: 0.100001E+04 g Temperature = 100.00 C Pressure = 50.00 bar Mixer frac. = 0.0032000 Log Log Vol Gas or mineral Moles Moles Grams Grams Wt.% (cm3) diaspore 0.9943E-05 -5.002 0.5965E-03 -3.224 77.46 0.1776E-03 hematite 0.1087E-05 -5.964 0.1735E-03 -3.761 22.54 0.3289E-04 Partial press. Fugacity coef Log fugacity Gas or Mineral Mole fraction or activity Activity coef Log activity diaspore 0.1000E+01 0.1000E+01 1.0000 0.000 hematite 0.1000E+01 0.1000E+01 1.0000 0.000 Solid products produced: Mass = 0.000770 g Volume = 0.000210 cm3 Porosity: 99.9790% V(tot) - V(min): 0.10011E+01 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: 0.0032000 g log = -2.4949 Original solution: 1000.0102895 g Original solution / Rock added: 312503.22 (Water/Rock Ratio), log = 5.4949 Gas composition at saturation ( 2 iterations) ------------------------------------------------- Temperature: 100.0000 deg.C Sat. pressure: 1.0205 bar Gas Mole fraction phi Fugacity Partial P(bar) H2O,gas 0.9998E+00 0.9859 0.1006E+01 0.1020E+01 CO2,gas 0.2296E-03 1.0071 0.2359E-03 0.2343E-03 CH4,gas 0.8562E-10 1.0125 0.8847E-10 0.8738E-10 H2,gas 0.7667E-05 1.0005 0.7828E-05 0.7824E-05 H2S,gas 0.1115E-05 0.9960 0.1134E-05 0.1138E-05 S2,gas 0.7715E-21 1.0000 0.7873E-21 0.7873E-21 CO,gas 0.4823E-12 1.0000 0.4922E-12 0.4922E-12 SO3,gas 0.8246E-34 1.0000 0.8416E-34 0.8416E-34 SO2,gas 0.2511E-16 1.0000 0.2563E-16 0.2563E-16 HCl,gas 0.4159E-14 1.0000 0.4244E-14 0.4244E-14 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 65 diaspore 2.87 2.87 0.00 0.000 0.30331E-11 90 hematite 12.57 12.57 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 -1.696 0.28965E+04 0.003 2 CO2,gas -6.66 -11.99 -5.33 -1.775 0.90943E+04 -3.627 3 CH4,gas 4.54 -7.21 -11.75 -2.938 0.20066E+05 -10.053 4 H2,gas 8.00 1.19 -6.81 -3.889 0.11620E+05 -5.106 5 H2S,gas -6.23 -13.87 -7.64 -3.822 0.13053E+05 -5.945 6 S2,gas -7.34 -30.14 -22.80 -3.508 0.38935E+05 -21.104 7 CO,gas 3.21 -10.79 -14.01 -4.310 0.23916E+05 -12.308 8 SO3,gas 17.12 -18.65 -35.77 -8.943 0.61083E+05 -34.075 9 SO2,gas 0.83 -17.46 -18.29 -4.877 0.31230E+05 -16.591 10 HCl,gas 5.19 -10.88 -16.07 -8.036 0.27441E+05 -14.372 21 andalusite 5.00 1.27 -3.74 -0.374 0.63785E+04 24 anhydrite -5.32 -9.43 -4.12 -2.058 0.70277E+04 32 apatite-OH -18.15 -20.53 -2.38 -0.183 0.40590E+04 35 aragonite 0.97 -2.77 -3.73 -1.244 0.63739E+04 36 brucite 12.57 8.37 -4.20 -0.840 0.71736E+04 37 calcite 0.81 -2.77 -3.58 -1.193 0.61097E+04 40 carpholite-Mg 8.58 5.15 -3.43 -0.229 0.58575E+04 41 carpholite-Fe 6.71 3.66 -3.05 -0.203 0.52044E+04 46 clinochlore 39.07 34.14 -4.93 -0.154 0.84187E+04 47 daphnite 28.97 26.70 -2.26 -0.071 0.38604E+04 50 chloritoid-Mg 13.20 9.63 -3.56 -0.238 0.60865E+04 51 chloritoid-Fe 9.17 8.15 -1.03 -0.068 0.17543E+04 52 chloritoid-Mn 11.40 7.96 -3.44 -0.229 0.58769E+04 54 coesite -2.38 -4.48 -2.11 -0.702 0.35950E+04 59 corundum 8.38 5.75 -2.64 -0.240 0.45004E+04 61 cristobalite -2.56 -4.48 -1.92 -0.640 0.32804E+04 78 fayalite 14.05 9.28 -4.77 -0.681 0.81389E+04 83 gibbsite 4.08 2.87 -1.21 -0.172 0.20585E+04 87 greenalite 16.14 11.68 -4.46 -0.372 0.76181E+04 92 hercynite 17.28 12.63 -4.65 -0.310 0.79412E+04 98 kaolinite -1.33 -3.22 -1.88 -0.171 0.32150E+04 99 kyanite 4.88 1.27 -3.61 -0.361 0.61645E+04 102 lawsonite 9.62 6.00 -3.61 -0.241 0.61672E+04 106 magnesite 0.69 -3.62 -4.31 -1.437 0.73586E+04 107 magnetite 20.09 19.45 -0.64 -0.052 0.10943E+04 128 periclase-Fe 11.63 6.88 -4.75 -1.187 0.81041E+04 142 pyrite -21.25 -22.06 -0.82 -0.192 0.13943E+04 143 pyrrhotite -4.26 -6.99 -2.73 -0.911 0.46683E+04 144 pyrrhotiteFe0.875 -6.02 -8.00 -1.99 -0.730 0.33903E+04 147 quartz -2.99 -4.48 -1.49 -0.497 0.25477E+04 151 rhodochrosite -0.98 -5.29 -4.32 -1.439 0.73705E+04 155 siderite -2.61 -5.11 -2.50 -0.833 0.42650E+04 156 sillimanite 5.26 1.27 -4.00 -0.400 0.68225E+04 177 topaz-H 4.62 1.27 -3.35 -0.305 0.57245E+04 178 tridymite -2.63 -4.48 -1.86 -0.618 0.31677E+04 181 troilite-low -4.41 -6.99 -2.58 -0.861 0.44111E+04 192 akaganeite 7.75 6.28 -1.47 -0.318 0.25125E+04 199 chalcedony -2.80 -4.48 -1.68 -0.560 0.28670E+04 205 nontronite-Ca 3.21 -1.41 -4.63 -0.300 0.78988E+04 208 nontronite-Mg 3.07 -1.55 -4.63 -0.300 0.79001E+04 214 gypsum -4.96 -9.43 -4.48 -1.119 0.76453E+04 233 boehmite 4.41 2.87 -1.53 -0.255 0.26169E+04 235 ferrous-oxide 9.81 6.88 -2.93 -0.733 0.50051E+04 240 silica-amorphous -2.09 -4.48 -2.39 -0.797 0.40812E+04 Calculations done for 100.0000 Deg. C; 50.0000 bar Next reactant titration increment of: 0.0001000 g Current total amount of reactant added: 0.0032000 g New total amount of reactant added: 0.0033000 g Solids and gases carried Charge balance check after fractionation or titration: TBAL = 0.7000E-15 ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ 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 = 0.0033000 Water: Moles liquid = 0.5551E+02 kg liquid = 0.1000E+01 Moles total = 0.5551E+02 kg total = 0.1000E+01 Activity = 1.0000 Stoichiometric ionic strength = .2531637E-03 Osmotic coef. = 0.9904 True ionic strength = .2528623E-03 Chg. balance for total moles = 0.7000E-15 Max. difference allowed = 0.1380E-07 Log Log Log Species(n) Molality Molality Activity Activity Gamma Gamma 1 H+ 0.97166E-07 -7.0125 0.93435E-07 -7.0295 0.96160E+00 -0.0170 2 H2O 0.10000E+01 0.0000 0.10000E+01 0.0000 3 Cl- 0.13796E-03 -3.8602 0.13265E-03 -3.8773 0.96149E+00 -0.0171 4 SO4-- 0.25195E-04 -4.5987 0.22723E-04 -4.6435 0.90189E+00 -0.0448 5 HCO3- 0.10950E-04 -4.9606 0.10528E-04 -4.9776 0.96152E+00 -0.0170 6 HS- 0.14771E-06 -6.8306 0.14203E-06 -6.8476 0.96149E+00 -0.0171 7 Al+++ 0.75255E-18 -18.1235 0.60984E-18 -18.2148 0.81036E+00 -0.0913 8 H4SiO4 0.34008E-04 -4.4684 0.34008E-04 -4.4684 0.10000E+01 0.0000 9 Ca++ 0.18125E-04 -4.7417 0.16345E-04 -4.7866 0.90177E+00 -0.0449 10 Mg++ 0.26075E-05 -5.5838 0.23511E-05 -5.6287 0.90169E+00 -0.0449 11 Fe++ 0.74510E-07 -7.1278 0.67186E-07 -7.1727 0.90171E+00 -0.0449 12 K+ 0.70039E-06 -6.1547 0.67344E-06 -6.1717 0.96152E+00 -0.0170 13 Na+ 0.16420E-03 -3.7846 0.15788E-03 -3.8017 0.96149E+00 -0.0171 14 Mn++ 0.55169E-07 -7.2583 0.49747E-07 -7.3032 0.90172E+00 -0.0449 15 HPO4-- 0.74625E-08 -8.1271 0.67304E-08 -8.1720 0.90189E+00 -0.0448 16 HSiO3- 0.35347E-06 -6.4516 0.33986E-06 -6.4687 0.96149E+00 -0.0171 17 Ca(HSiO3)+ 0.13157E-09 -9.8808 0.12651E-09 -9.8979 0.96153E+00 -0.0170 18 Mg(HSiO3)+ 0.23553E-10 -10.6279 0.22647E-10 -10.6450 0.96153E+00 -0.0170 19 NaHSiO3,aq 0.86783E-09 -9.0616 0.86783E-09 -9.0616 0.10000E+01 0.0000 20 AlO+ 0.98837E-11 -11.0051 0.95034E-11 -11.0221 0.96153E+00 -0.0170 21 AlOH+2 0.49032E-14 -14.3095 0.44214E-14 -14.3544 0.90174E+00 -0.0449 22 HAlO2,aq 0.20256E-07 -7.6935 0.20256E-07 -7.6935 0.10000E+01 0.0000 23 AlO2- 0.49912E-06 -6.3018 0.47988E-06 -6.3189 0.96146E+00 -0.0171 24 CH4,aq 0.63926E-13 -13.1943 0.63921E-13 -13.1944 0.99992E+00 0.0000 29 CO,aq 0.32358E-15 -15.4900 0.32358E-15 -15.4900 0.10000E+01 0.0000 30 CO2,aq 0.21021E-05 -5.6773 0.21019E-05 -5.6774 0.99992E+00 0.0000 31 CO3-2 0.10913E-07 -7.9620 0.98422E-08 -8.0069 0.90185E+00 -0.0449 32 CaCO3,aq 0.20171E-08 -8.6953 0.20171E-08 -8.6953 0.10000E+01 0.0000 33 Ca(HCO3)+ 0.45684E-08 -8.3402 0.43926E-08 -8.3573 0.96153E+00 -0.0170 34 CaCl+ 0.36491E-08 -8.4378 0.35087E-08 -8.4548 0.96153E+00 -0.0170 35 CaCl2,aq 0.11058E-12 -12.9563 0.11058E-12 -12.9563 0.10000E+01 0.0000 36 CaOH+ 0.12966E-07 -7.8872 0.12467E-07 -7.9042 0.96153E+00 -0.0170 37 CaSO4,aq 0.11794E-06 -6.9283 0.11794E-06 -6.9283 0.10000E+01 0.0000 38 HCl,aq 0.22712E-11 -11.6438 0.22712E-11 -11.6438 0.10000E+01 0.0000 43 FeCl+ 0.14671E-10 -10.8335 0.14107E-10 -10.8506 0.96153E+00 -0.0170 44 FeCl2,aq 0.59244E-19 -19.2274 0.59244E-19 -19.2274 0.10000E+01 0.0000 46 FeO,aq 0.29911E-09 -9.5242 0.29911E-09 -9.5242 0.10000E+01 0.0000 47 FeOH+ 0.24343E-07 -7.6136 0.23407E-07 -7.6307 0.96153E+00 -0.0170 48 HFeO2- 0.34837E-10 -10.4580 0.33495E-10 -10.4750 0.96149E+00 -0.0171 49 FeO+ 0.74171E-12 -12.1298 0.71318E-12 -12.1468 0.96153E+00 -0.0170 50 FeOH+2 0.14112E-16 -16.8504 0.12725E-16 -16.8953 0.90174E+00 -0.0449 51 FeO2- 0.17385E-10 -10.7598 0.16716E-10 -10.7769 0.96149E+00 -0.0171 52 HFeO2,aq 0.19864E-09 -9.7019 0.19864E-09 -9.7019 0.10000E+01 0.0000 53 H2,aq 0.61286E-08 -8.2126 0.61282E-08 -8.2127 0.99992E+00 0.0000 54 KCl,aq 0.16191E-11 -11.7907 0.16191E-11 -11.7907 0.10000E+01 0.0000 55 KHSO4,aq 0.40426E-17 -17.3933 0.40426E-17 -17.3933 0.10000E+01 0.0000 56 KOH,aq 0.30780E-11 -11.5117 0.30780E-11 -11.5117 0.10000E+01 0.0000 57 KSO4- 0.24697E-09 -9.6074 0.23746E-09 -9.6244 0.96149E+00 -0.0171 58 MgCO3,aq 0.72730E-10 -10.1383 0.72730E-10 -10.1383 0.10000E+01 0.0000 59 Mg(HCO3)+ 0.67148E-09 -9.1730 0.64564E-09 -9.1900 0.96153E+00 -0.0170 60 MgCl+ 0.47575E-09 -9.3226 0.45745E-09 -9.3397 0.96153E+00 -0.0170 61 MgOH+ 0.10321E-07 -7.9863 0.99237E-08 -8.0033 0.96153E+00 -0.0170 63 MnO,aq 0.59012E-11 -11.2291 0.59012E-11 -11.2291 0.10000E+01 0.0000 64 MnOH+ 0.16744E-08 -8.7761 0.16100E-08 -8.7932 0.96153E+00 -0.0170 65 MnO2-2 0.24875E-19 -19.6042 0.22434E-19 -19.6491 0.90185E+00 -0.0449 66 HMnO2- 0.47761E-15 -15.3209 0.45922E-15 -15.3380 0.96149E+00 -0.0171 69 MnCl+ 0.42262E-10 -10.3741 0.40636E-10 -10.3911 0.96153E+00 -0.0170 70 MnSO4,aq 0.32634E-09 -9.4863 0.32634E-09 -9.4863 0.10000E+01 0.0000 71 NaCl,aq 0.69406E-08 -8.1586 0.69406E-08 -8.1586 0.10000E+01 0.0000 72 NaOH,aq 0.72600E-09 -9.1391 0.72600E-09 -9.1391 0.10000E+01 0.0000 74 OH- 0.64316E-05 -5.1917 0.61837E-05 -5.2087 0.96146E+00 -0.0171 79 HPO3-2 0.14252E-18 -18.8461 0.12853E-18 -18.8910 0.90185E+00 -0.0449 81 H2PO3- 0.25047E-19 -19.6012 0.24083E-19 -19.6183 0.96149E+00 -0.0171 82 H3PO4,aq 0.41094E-12 -12.3862 0.41094E-12 -12.3862 0.10000E+01 0.0000 83 H2PO4- 0.12065E-07 -7.9185 0.11601E-07 -7.9355 0.96151E+00 -0.0170 84 PO4-3 0.72457E-13 -13.1399 0.58771E-13 -13.2308 0.81112E+00 -0.0909 87 H2P2O7-2 0.11700E-16 -16.9318 0.10552E-16 -16.9767 0.90185E+00 -0.0449 88 HP2O7-3 0.27827E-16 -16.5555 0.22550E-16 -16.6468 0.81037E+00 -0.0913 89 P2O7-4 0.82594E-19 -19.0830 0.57657E-19 -19.2391 0.69808E+00 -0.1561 90 H2S,aq 0.41016E-07 -7.3870 0.41013E-07 -7.3871 0.99992E+00 0.0000 91 S2-2 0.80872E-16 -16.0922 0.72935E-16 -16.1371 0.90185E+00 -0.0449 96 SO2,aq 0.54291E-17 -17.2653 0.54291E-17 -17.2653 0.10000E+01 0.0000 97 SO3-2 0.20059E-13 -13.6977 0.18096E-13 -13.7424 0.90210E+00 -0.0447 98 HSO3- 0.11010E-12 -12.9582 0.10586E-12 -12.9753 0.96149E+00 -0.0171 99 HSO4- 0.21279E-08 -8.6720 0.20461E-08 -8.6891 0.96154E+00 -0.0170 101 S2O3-2 0.12139E-13 -13.9158 0.10947E-13 -13.9607 0.90185E+00 -0.0449 102 HS2O3- 0.19022E-18 -18.7208 0.18289E-18 -18.7378 0.96149E+00 -0.0171 Charge balance for all species = 0.7000E-15 Component Molality Aq.molality ppm log[A(N)/A(H+)**Z] (total) 1 H+ 0.9716576E-07 -.6654596E-05 -.6707340E-02 0.0000 2 H2O 0.1000000E+01 0.5550826E+02 0.9999840E+06 0.0000 3 Cl- 0.1379632E-03 0.1379744E-03 0.4891537E+01 3.1522 4 SO4-- 0.2519513E-04 0.2531427E-04 0.2431695E+01 9.4155 5 HCO3- 0.1094966E-04 0.1307002E-04 0.7974847E+00 2.0518 6 HS- 0.1477135E-06 0.1902348E-06 0.6291357E-02 0.1819 7 Al+++ 0.7525546E-18 0.5193876E-06 0.1401366E-01 2.8737 8 H4SiO4 0.3400773E-04 0.3436223E-04 0.3302693E+01 -4.4684 9 Ca++ 0.1812528E-04 0.1826655E-04 0.7320767E+00 9.2724 10 Mg++ 0.2607487E-05 0.2619051E-05 0.6367348E-01 8.4303 11 Fe++ 0.7450971E-07 0.9941820E-07 0.5552131E-02 6.8863 12 K+ 0.7003861E-06 0.7006378E-06 0.2739596E-01 0.8578 13 Na+ 0.1642050E-03 0.1642135E-03 0.3775183E+01 3.2278 14 Mn++ 0.5516853E-07 0.5721744E-07 0.3143368E-02 6.7557 15 HPO4-- 0.7462523E-08 0.1952803E-07 0.1874254E-02 5.8870 Component Tot moles Aq. moles Solid moles Gas moles 1 H+ -.4160310E-04 -.6654588E-05 -.3494851E-04 0.0000000E+00 2 H2O 0.5550821E+02 0.5550819E+02 0.2273563E-04 0.0000000E+00 3 Cl- 0.1379742E-03 0.1379742E-03 0.0000000E+00 0.0000000E+00 4 SO4-- 0.2559592E-04 0.2531424E-04 0.2816888E-06 0.0000000E+00 5 HCO3- 0.1307000E-04 0.1307000E-04 0.0000000E+00 0.0000000E+00 6 HS- -.9145425E-07 0.1902345E-06 -.2816888E-06 0.0000000E+00 7 Al+++ 0.1076045E-04 0.5193869E-06 0.1024106E-04 0.0000000E+00 8 H4SiO4 0.3436218E-04 0.3436218E-04 0.0000000E+00 0.0000000E+00 9 Ca++ 0.1826653E-04 0.1826653E-04 0.0000000E+00 0.0000000E+00 10 Mg++ 0.2619048E-05 0.2619048E-05 0.0000000E+00 0.0000000E+00 11 Fe++ 0.2352928E-05 0.9941807E-07 0.2253510E-05 0.0000000E+00 12 K+ 0.7006369E-06 0.7006369E-06 0.0000000E+00 0.0000000E+00 13 Na+ 0.1642133E-03 0.1642133E-03 0.0000000E+00 0.0000000E+00 14 Mn++ 0.5721737E-07 0.5721737E-07 0.0000000E+00 0.0000000E+00 15 HPO4-- 0.1952800E-07 0.1952800E-07 0.0000000E+00 0.0000000E+00 Chg. balance for solid moles: -.8470E-21 Mass of aqueous solution: 0.100001E+04 g Temperature = 100.00 C Pressure = 50.00 bar Mixer frac. = 0.0033000 Log Log Vol Gas or mineral Moles Moles Grams Grams Wt.% (cm3) diaspore 0.1024E-04 -4.990 0.6144E-03 -3.212 77.35 0.1829E-03 hematite 0.1127E-05 -5.948 0.1799E-03 -3.745 22.65 0.3411E-04 Partial press. Fugacity coef Log fugacity Gas or Mineral Mole fraction or activity Activity coef Log activity diaspore 0.1000E+01 0.1000E+01 1.0000 0.000 hematite 0.1000E+01 0.1000E+01 1.0000 0.000 Solid products produced: Mass = 0.000794 g Volume = 0.000217 cm3 Porosity: 99.9783% V(tot) - V(min): 0.10011E+01 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: 0.0033000 g log = -2.4815 Original solution: 1000.0102895 g Original solution / Rock added: 303033.42 (Water/Rock Ratio), log = 5.4815 Gas composition at saturation ( 2 iterations) ------------------------------------------------- Temperature: 100.0000 deg.C Sat. pressure: 1.0205 bar Gas Mole fraction phi Fugacity Partial P(bar) H2O,gas 0.9998E+00 0.9859 0.1006E+01 0.1020E+01 CO2,gas 0.2188E-03 1.0071 0.2249E-03 0.2233E-03 CH4,gas 0.9105E-10 1.0125 0.9409E-10 0.9292E-10 H2,gas 0.7879E-05 1.0005 0.8046E-05 0.8041E-05 H2S,gas 0.1109E-05 0.9960 0.1127E-05 0.1132E-05 S2,gas 0.7222E-21 1.0000 0.7371E-21 0.7371E-21 CO,gas 0.4725E-12 1.0000 0.4822E-12 0.4822E-12 SO3,gas 0.7350E-34 1.0000 0.7501E-34 0.7501E-34 SO2,gas 0.2301E-16 1.0000 0.2348E-16 0.2348E-16 HCl,gas 0.3927E-14 1.0000 0.4008E-14 0.4008E-14 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 65 diaspore 2.87 2.87 0.00 0.000 -0.30331E-11 90 hematite 12.57 12.57 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 -1.696 0.28965E+04 0.003 2 CO2,gas -6.66 -12.01 -5.35 -1.782 0.91299E+04 -3.648 3 CH4,gas 4.54 -7.18 -11.73 -2.931 0.20021E+05 -10.026 4 H2,gas 8.00 1.21 -6.79 -3.882 0.11600E+05 -5.094 5 H2S,gas -6.23 -13.88 -7.65 -3.823 0.13057E+05 -5.948 6 S2,gas -7.34 -30.17 -22.83 -3.513 0.38984E+05 -21.132 7 CO,gas 3.21 -10.80 -14.02 -4.313 0.23931E+05 -12.317 8 SO3,gas 17.12 -18.70 -35.82 -8.956 0.61168E+05 -34.125 9 SO2,gas 0.83 -17.50 -18.33 -4.888 0.31295E+05 -16.629 10 HCl,gas 5.19 -10.91 -16.10 -8.048 0.27484E+05 -14.397 21 andalusite 5.00 1.28 -3.72 -0.372 0.63562E+04 24 anhydrite -5.32 -9.43 -4.11 -2.057 0.70234E+04 32 apatite-OH -18.15 -20.33 -2.18 -0.168 0.37181E+04 35 aragonite 0.97 -2.73 -3.70 -1.234 0.63199E+04 36 brucite 12.57 8.43 -4.14 -0.828 0.70660E+04 37 calcite 0.81 -2.73 -3.55 -1.182 0.60556E+04 40 carpholite-Mg 8.58 5.24 -3.34 -0.223 0.57051E+04 41 carpholite-Fe 6.71 3.70 -3.02 -0.201 0.51494E+04 46 clinochlore 39.07 34.49 -4.58 -0.143 0.78135E+04 47 daphnite 28.97 26.77 -2.19 -0.068 0.37424E+04 50 chloritoid-Mg 13.20 9.71 -3.49 -0.233 0.59565E+04 51 chloritoid-Fe 9.17 8.17 -1.01 -0.067 0.17218E+04 52 chloritoid-Mn 11.40 8.03 -3.37 -0.224 0.57480E+04 54 coesite -2.38 -4.47 -2.09 -0.697 0.35726E+04 59 corundum 8.38 5.75 -2.64 -0.240 0.45004E+04 61 cristobalite -2.56 -4.47 -1.91 -0.636 0.32580E+04 78 fayalite 14.05 9.30 -4.74 -0.677 0.80962E+04 83 gibbsite 4.08 2.87 -1.21 -0.172 0.20585E+04 87 greenalite 16.14 11.72 -4.42 -0.368 0.75429E+04 92 hercynite 17.28 12.63 -4.64 -0.310 0.79310E+04 98 kaolinite -1.33 -3.19 -1.86 -0.169 0.31702E+04 99 kyanite 4.88 1.28 -3.60 -0.360 0.61421E+04 102 lawsonite 9.62 6.08 -3.53 -0.236 0.60328E+04 106 magnesite 0.69 -3.58 -4.27 -1.422 0.72866E+04 107 magnetite 20.09 19.45 -0.63 -0.052 0.10842E+04 128 periclase-Fe 11.63 6.89 -4.74 -1.185 0.80940E+04 142 pyrite -21.25 -22.07 -0.83 -0.195 0.14128E+04 143 pyrrhotite -4.26 -6.99 -2.73 -0.910 0.46623E+04 144 pyrrhotiteFe0.875 -6.02 -8.00 -1.98 -0.730 0.33881E+04 147 quartz -2.99 -4.47 -1.48 -0.493 0.25253E+04 151 rhodochrosite -0.98 -5.25 -4.28 -1.425 0.72996E+04 155 siderite -2.61 -5.12 -2.51 -0.838 0.42904E+04 156 sillimanite 5.26 1.28 -3.98 -0.398 0.68001E+04 177 topaz-H 4.62 1.28 -3.34 -0.304 0.57021E+04 178 tridymite -2.63 -4.47 -1.84 -0.614 0.31453E+04 181 troilite-low -4.41 -6.99 -2.58 -0.860 0.44051E+04 192 akaganeite 7.75 6.28 -1.47 -0.318 0.25125E+04 199 chalcedony -2.80 -4.47 -1.67 -0.555 0.28446E+04 205 nontronite-Ca 3.21 -1.35 -4.57 -0.296 0.78018E+04 208 nontronite-Mg 3.07 -1.49 -4.57 -0.296 0.78001E+04 214 gypsum -4.96 -9.43 -4.48 -1.119 0.76410E+04 233 boehmite 4.41 2.87 -1.53 -0.255 0.26169E+04 235 ferrous-oxide 9.81 6.89 -2.93 -0.731 0.49949E+04 240 silica-amorphous -2.09 -4.47 -2.38 -0.792 0.40588E+04 Calculations done for 100.0000 Deg. C; 50.0000 bar Next reactant titration increment of: 0.0001000 g Current total amount of reactant added: 0.0033000 g New total amount of reactant added: 0.0034000 g Solids and gases carried Charge balance check after fractionation or titration: TBAL = 0.7000E-15 ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ 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 = 0.0034000 Water: Moles liquid = 0.5551E+02 kg liquid = 0.1000E+01 Moles total = 0.5551E+02 kg total = 0.1000E+01 Activity = 1.0000 Stoichiometric ionic strength = .2537318E-03 Osmotic coef. = 0.9904 True ionic strength = .2535572E-03 Chg. balance for total moles = 0.7000E-15 Max. difference allowed = 0.1380E-07 Log Log Log Species(n) Molality Molality Activity Activity Gamma Gamma 1 H+ 0.91939E-07 -7.0365 0.88406E-07 -7.0535 0.96157E+00 -0.0170 2 H2O 0.10000E+01 0.0000 0.10000E+01 0.0000 3 Cl- 0.13796E-03 -3.8602 0.13265E-03 -3.8773 0.96146E+00 -0.0171 4 SO4-- 0.25187E-04 -4.5988 0.22714E-04 -4.6437 0.90179E+00 -0.0449 5 HCO3- 0.11045E-04 -4.9568 0.10619E-04 -4.9739 0.96149E+00 -0.0171 6 HS- 0.15508E-06 -6.8094 0.14910E-06 -6.8265 0.96147E+00 -0.0171 7 Al+++ 0.63763E-18 -18.1954 0.51658E-18 -18.2869 0.81016E+00 -0.0914 8 H4SiO4 0.35018E-04 -4.4557 0.35018E-04 -4.4557 0.10000E+01 0.0000 9 Ca++ 0.18239E-04 -4.7390 0.16445E-04 -4.7840 0.90166E+00 -0.0450 10 Mg++ 0.26859E-05 -5.5709 0.24216E-05 -5.6159 0.90159E+00 -0.0450 11 Fe++ 0.67589E-07 -7.1701 0.60938E-07 -7.2151 0.90161E+00 -0.0450 12 K+ 0.72161E-06 -6.1417 0.69382E-06 -6.1588 0.96149E+00 -0.0171 13 Na+ 0.16433E-03 -3.7843 0.15800E-03 -3.8014 0.96146E+00 -0.0171 14 Mn++ 0.56745E-07 -7.2461 0.51163E-07 -7.2910 0.90162E+00 -0.0450 15 HPO4-- 0.79536E-08 -8.0994 0.71724E-08 -8.1443 0.90179E+00 -0.0449 16 HSiO3- 0.38468E-06 -6.4149 0.36986E-06 -6.4320 0.96146E+00 -0.0171 17 Ca(HSiO3)+ 0.14406E-09 -9.8414 0.13852E-09 -9.8585 0.96150E+00 -0.0171 18 Mg(HSiO3)+ 0.26401E-10 -10.5784 0.25384E-10 -10.5954 0.96150E+00 -0.0171 19 NaHSiO3,aq 0.94513E-09 -9.0245 0.94513E-09 -9.0245 0.10000E+01 0.0000 20 AlO+ 0.93520E-11 -11.0291 0.89919E-11 -11.0461 0.96150E+00 -0.0171 21 AlOH+2 0.43901E-14 -14.3575 0.39583E-14 -14.4025 0.90164E+00 -0.0450 22 HAlO2,aq 0.20256E-07 -7.6935 0.20256E-07 -7.6935 0.10000E+01 0.0000 23 AlO2- 0.52753E-06 -6.2778 0.50718E-06 -6.2948 0.96143E+00 -0.0171 24 CH4,aq 0.67720E-13 -13.1693 0.67715E-13 -13.1693 0.99992E+00 0.0000 29 CO,aq 0.31698E-15 -15.4990 0.31698E-15 -15.4990 0.10000E+01 0.0000 30 CO2,aq 0.20062E-05 -5.6976 0.20060E-05 -5.6977 0.99992E+00 0.0000 31 CO3-2 0.11635E-07 -7.9342 0.10492E-07 -7.9791 0.90175E+00 -0.0449 32 CaCO3,aq 0.21635E-08 -8.6648 0.21635E-08 -8.6648 0.10000E+01 0.0000 33 Ca(HCO3)+ 0.46362E-08 -8.3338 0.44577E-08 -8.3509 0.96150E+00 -0.0171 34 CaCl+ 0.36715E-08 -8.4352 0.35302E-08 -8.4522 0.96150E+00 -0.0171 35 CaCl2,aq 0.11125E-12 -12.9537 0.11125E-12 -12.9537 0.10000E+01 0.0000 36 CaOH+ 0.13788E-07 -7.8605 0.13257E-07 -7.8775 0.96150E+00 -0.0171 37 CaSO4,aq 0.11861E-06 -6.9259 0.11861E-06 -6.9259 0.10000E+01 0.0000 38 HCl,aq 0.21489E-11 -11.6678 0.21489E-11 -11.6678 0.10000E+01 0.0000 43 FeCl+ 0.13307E-10 -10.8759 0.12794E-10 -10.8930 0.96150E+00 -0.0171 44 FeCl2,aq 0.53732E-19 -19.2698 0.53732E-19 -19.2698 0.10000E+01 0.0000 46 FeO,aq 0.30304E-09 -9.5185 0.30304E-09 -9.5185 0.10000E+01 0.0000 47 FeOH+ 0.23336E-07 -7.6320 0.22438E-07 -7.6490 0.96150E+00 -0.0171 48 HFeO2- 0.37303E-10 -10.4283 0.35865E-10 -10.4453 0.96146E+00 -0.0171 49 FeO+ 0.70181E-12 -12.1538 0.67479E-12 -12.1708 0.96150E+00 -0.0171 50 FeOH+2 0.12635E-16 -16.8984 0.11392E-16 -16.9434 0.90164E+00 -0.0450 51 FeO2- 0.18375E-10 -10.7358 0.17667E-10 -10.7528 0.96146E+00 -0.0171 52 HFeO2,aq 0.19864E-09 -9.7019 0.19864E-09 -9.7019 0.10000E+01 0.0000 53 H2,aq 0.62907E-08 -8.2013 0.62902E-08 -8.2013 0.99992E+00 0.0000 54 KCl,aq 0.16680E-11 -11.7778 0.16680E-11 -11.7778 0.10000E+01 0.0000 55 KHSO4,aq 0.39391E-17 -17.4046 0.39391E-17 -17.4046 0.10000E+01 0.0000 56 KOH,aq 0.33516E-11 -11.4747 0.33516E-11 -11.4747 0.10000E+01 0.0000 57 KSO4- 0.25435E-09 -9.5946 0.24455E-09 -9.6116 0.96146E+00 -0.0171 58 MgCO3,aq 0.79853E-10 -10.0977 0.79853E-10 -10.0977 0.10000E+01 0.0000 59 Mg(HCO3)+ 0.69759E-09 -9.1564 0.67073E-09 -9.1735 0.96150E+00 -0.0171 60 MgCl+ 0.49000E-09 -9.3098 0.47114E-09 -9.3269 0.96150E+00 -0.0171 61 MgOH+ 0.11235E-07 -7.9494 0.10802E-07 -7.9665 0.96150E+00 -0.0171 63 MnO,aq 0.67793E-11 -11.1688 0.67793E-11 -11.1688 0.10000E+01 0.0000 64 MnOH+ 0.18201E-08 -8.7399 0.17500E-08 -8.7570 0.96150E+00 -0.0171 65 MnO2-2 0.31924E-19 -19.4959 0.28787E-19 -19.5408 0.90175E+00 -0.0449 66 HMnO2- 0.57990E-15 -15.2366 0.55756E-15 -15.2537 0.96146E+00 -0.0171 69 MnCl+ 0.43465E-10 -10.3619 0.41791E-10 -10.3789 0.96150E+00 -0.0171 70 MnSO4,aq 0.33549E-09 -9.4743 0.33549E-09 -9.4743 0.10000E+01 0.0000 71 NaCl,aq 0.69455E-08 -8.1583 0.69455E-08 -8.1583 0.10000E+01 0.0000 72 NaOH,aq 0.76786E-09 -9.1147 0.76786E-09 -9.1147 0.10000E+01 0.0000 74 OH- 0.67977E-05 -5.1676 0.65355E-05 -5.1847 0.96143E+00 -0.0171 79 HPO3-2 0.15591E-18 -18.8071 0.14060E-18 -18.8520 0.90175E+00 -0.0449 81 H2PO3- 0.25924E-19 -19.5863 0.24925E-19 -19.6034 0.96146E+00 -0.0171 82 H3PO4,aq 0.39206E-12 -12.4067 0.39206E-12 -12.4067 0.10000E+01 0.0000 83 H2PO4- 0.12166E-07 -7.9149 0.11697E-07 -7.9319 0.96148E+00 -0.0171 84 PO4-3 0.81629E-13 -13.0882 0.66194E-13 -13.1792 0.81091E+00 -0.0910 87 H2P2O7-2 0.11897E-16 -16.9246 0.10728E-16 -16.9695 0.90175E+00 -0.0449 88 HP2O7-3 0.29909E-16 -16.5242 0.24231E-16 -16.6156 0.81016E+00 -0.0914 89 P2O7-4 0.93843E-19 -19.0276 0.65480E-19 -19.1839 0.69776E+00 -0.1563 90 H2S,aq 0.40742E-07 -7.3900 0.40739E-07 -7.3900 0.99992E+00 0.0000 91 S2-2 0.86847E-16 -16.0612 0.78314E-16 -16.1062 0.90175E+00 -0.0449 96 SO2,aq 0.49869E-17 -17.3022 0.49869E-17 -17.3022 0.10000E+01 0.0000 97 SO3-2 0.20584E-13 -13.6865 0.18566E-13 -13.7313 0.90200E+00 -0.0448 98 HSO3- 0.10689E-12 -12.9711 0.10277E-12 -12.9881 0.96146E+00 -0.0171 99 HSO4- 0.20126E-08 -8.6962 0.19352E-08 -8.7133 0.96151E+00 -0.0170 101 S2O3-2 0.12054E-13 -13.9189 0.10870E-13 -13.9638 0.90175E+00 -0.0449 102 HS2O3- 0.17871E-18 -18.7479 0.17182E-18 -18.7649 0.96146E+00 -0.0171 Charge balance for all species = 0.7000E-15 Component Molality Aq.molality ppm log[A(N)/A(H+)**Z] (total) 1 H+ 0.9193861E-07 -.7268904E-05 -.7326517E-02 0.0000 2 H2O 0.1000000E+01 0.5550826E+02 0.9999838E+06 0.0000 3 Cl- 0.1379632E-03 0.1379744E-03 0.4891536E+01 3.1762 4 SO4-- 0.2518747E-04 0.2530714E-04 0.2431010E+01 9.4633 5 HCO3- 0.1104464E-04 0.1307002E-04 0.7974846E+00 2.0796 6 HS- 0.1550785E-06 0.1973663E-06 0.6527208E-02 0.2270 7 Al+++ 0.6376275E-18 0.5477948E-06 0.1478012E-01 2.8737 8 H4SiO4 0.3501771E-04 0.3540351E-04 0.3402775E+01 -4.4557 9 Ca++ 0.1823855E-04 0.1838157E-04 0.7366862E+00 9.3231 10 Mg++ 0.2685887E-05 0.2698416E-05 0.6560297E-01 8.4911 11 Fe++ 0.6758860E-07 0.9149599E-07 0.5109705E-02 6.8919 12 K+ 0.7216099E-06 0.7218693E-06 0.2822614E-01 0.8948 13 Na+ 0.1643304E-03 0.1643390E-03 0.3778069E+01 3.2522 14 Mn++ 0.5674549E-07 0.5895130E-07 0.3238621E-02 6.8160 15 HPO4-- 0.7953559E-08 0.2011979E-07 0.1931050E-02 5.9627 Component Tot moles Aq. moles Solid moles Gas moles 1 H+ -.4325895E-04 -.7268895E-05 -.3599006E-04 0.0000000E+00 2 H2O 0.5550821E+02 0.5550818E+02 0.2341019E-04 0.0000000E+00 3 Cl- 0.1379742E-03 0.1379742E-03 0.0000000E+00 0.0000000E+00 4 SO4-- 0.2559870E-04 0.2530710E-04 0.2915917E-06 0.0000000E+00 5 HCO3- 0.1307000E-04 0.1307000E-04 0.0000000E+00 0.0000000E+00 6 HS- -.9422559E-07 0.1973661E-06 -.2915917E-06 0.0000000E+00 7 Al+++ 0.1108652E-04 0.5477940E-06 0.1053873E-04 0.0000000E+00 8 H4SiO4 0.3540346E-04 0.3540346E-04 0.0000000E+00 0.0000000E+00 9 Ca++ 0.1838155E-04 0.1838155E-04 0.0000000E+00 0.0000000E+00 10 Mg++ 0.2698413E-05 0.2698413E-05 0.0000000E+00 0.0000000E+00 11 Fe++ 0.2424229E-05 0.9149587E-07 0.2332733E-05 0.0000000E+00 12 K+ 0.7218684E-06 0.7218684E-06 0.0000000E+00 0.0000000E+00 13 Na+ 0.1643388E-03 0.1643388E-03 0.0000000E+00 0.0000000E+00 14 Mn++ 0.5895123E-07 0.5895123E-07 0.0000000E+00 0.0000000E+00 15 HPO4-- 0.2011976E-07 0.2011976E-07 0.0000000E+00 0.0000000E+00 Chg. balance for solid moles: -.2541E-20 Mass of aqueous solution: 0.100001E+04 g Temperature = 100.00 C Pressure = 50.00 bar Mixer frac. = 0.0034000 Log Log Vol Gas or mineral Moles Moles Grams Grams Wt.% (cm3) diaspore 0.1054E-04 -4.977 0.6322E-03 -3.199 77.24 0.1882E-03 hematite 0.1166E-05 -5.933 0.1863E-03 -3.730 22.76 0.3530E-04 Partial press. Fugacity coef Log fugacity Gas or Mineral Mole fraction or activity Activity coef Log activity diaspore 0.1000E+01 0.1000E+01 1.0000 0.000 hematite 0.1000E+01 0.1000E+01 1.0000 0.000 Solid products produced: Mass = 0.000818 g Volume = 0.000224 cm3 Porosity: 99.9777% V(tot) - V(min): 0.10011E+01 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: 0.0034000 g log = -2.4685 Original solution: 1000.0102895 g Original solution / Rock added: 294120.67 (Water/Rock Ratio), log = 5.4685 Gas composition at saturation ( 2 iterations) ------------------------------------------------- Temperature: 100.0000 deg.C Sat. pressure: 1.0205 bar Gas Mole fraction phi Fugacity Partial P(bar) H2O,gas 0.9998E+00 0.9859 0.1006E+01 0.1020E+01 CO2,gas 0.2088E-03 1.0071 0.2146E-03 0.2131E-03 CH4,gas 0.9646E-10 1.0125 0.9967E-10 0.9844E-10 H2,gas 0.8088E-05 1.0005 0.8258E-05 0.8254E-05 H2S,gas 0.1102E-05 0.9960 0.1120E-05 0.1124E-05 S2,gas 0.6764E-21 1.0000 0.6903E-21 0.6903E-21 CO,gas 0.4629E-12 1.0000 0.4724E-12 0.4724E-12 SO3,gas 0.6577E-34 1.0000 0.6712E-34 0.6712E-34 SO2,gas 0.2113E-16 1.0000 0.2157E-16 0.2157E-16 HCl,gas 0.3715E-14 1.0000 0.3792E-14 0.3792E-14 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 65 diaspore 2.87 2.87 0.00 0.000 0.30331E-11 90 hematite 12.57 12.57 0.00 0.000 0.30331E-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 -1.696 0.28965E+04 0.003 2 CO2,gas -6.66 -12.03 -5.37 -1.789 0.91645E+04 -3.668 3 CH4,gas 4.54 -7.16 -11.70 -2.925 0.19978E+05 -10.001 4 H2,gas 8.00 1.22 -6.78 -3.875 0.11580E+05 -5.083 5 H2S,gas -6.23 -13.88 -7.65 -3.825 0.13062E+05 -5.951 6 S2,gas -7.34 -30.20 -22.86 -3.517 0.39033E+05 -21.161 7 CO,gas 3.21 -10.81 -14.02 -4.315 0.23947E+05 -12.326 8 SO3,gas 17.12 -18.75 -35.87 -8.968 0.61251E+05 -34.173 9 SO2,gas 0.83 -17.53 -18.37 -4.897 0.31358E+05 -16.666 10 HCl,gas 5.19 -10.93 -16.12 -8.060 0.27525E+05 -14.421 21 andalusite 5.00 1.29 -3.71 -0.371 0.63345E+04 24 anhydrite -5.32 -9.43 -4.11 -2.055 0.70192E+04 32 apatite-OH -18.15 -20.14 -1.99 -0.153 0.33898E+04 35 aragonite 0.97 -2.70 -3.67 -1.224 0.62679E+04 36 brucite 12.57 8.49 -4.08 -0.815 0.69621E+04 37 calcite 0.81 -2.70 -3.52 -1.172 0.60037E+04 40 carpholite-Mg 8.58 5.33 -3.25 -0.217 0.55578E+04 41 carpholite-Fe 6.71 3.73 -2.98 -0.199 0.50964E+04 46 clinochlore 39.07 34.84 -4.23 -0.132 0.72287E+04 47 daphnite 28.97 26.84 -2.13 -0.066 0.36289E+04 50 chloritoid-Mg 13.20 9.78 -3.41 -0.228 0.58308E+04 51 chloritoid-Fe 9.17 8.18 -0.99 -0.066 0.16904E+04 52 chloritoid-Mn 11.40 8.11 -3.29 -0.220 0.56234E+04 54 coesite -2.38 -4.46 -2.08 -0.693 0.35509E+04 59 corundum 8.38 5.75 -2.64 -0.240 0.45004E+04 61 cristobalite -2.56 -4.46 -1.90 -0.632 0.32363E+04 78 fayalite 14.05 9.33 -4.72 -0.674 0.80551E+04 83 gibbsite 4.08 2.87 -1.21 -0.172 0.20585E+04 87 greenalite 16.14 11.76 -4.38 -0.365 0.74704E+04 92 hercynite 17.28 12.64 -4.64 -0.309 0.79213E+04 98 kaolinite -1.33 -3.16 -1.83 -0.166 0.31268E+04 99 kyanite 4.88 1.29 -3.58 -0.358 0.61204E+04 102 lawsonite 9.62 6.16 -3.46 -0.230 0.59028E+04 106 magnesite 0.69 -3.54 -4.23 -1.409 0.72173E+04 107 magnetite 20.09 19.46 -0.63 -0.051 0.10745E+04 128 periclase-Fe 11.63 6.89 -4.73 -1.184 0.80843E+04 142 pyrite -21.25 -22.09 -0.84 -0.197 0.14324E+04 143 pyrrhotite -4.26 -6.99 -2.73 -0.909 0.46576E+04 144 pyrrhotiteFe0.875 -6.02 -8.00 -1.98 -0.730 0.33870E+04 147 quartz -2.99 -4.46 -1.47 -0.489 0.25036E+04 151 rhodochrosite -0.98 -5.21 -4.24 -1.412 0.72313E+04 155 siderite -2.61 -5.14 -2.53 -0.842 0.43154E+04 156 sillimanite 5.26 1.29 -3.97 -0.397 0.67784E+04 177 topaz-H 4.62 1.29 -3.33 -0.302 0.56804E+04 178 tridymite -2.63 -4.46 -1.83 -0.610 0.31236E+04 181 troilite-low -4.41 -6.99 -2.58 -0.859 0.44004E+04 192 akaganeite 7.75 6.28 -1.47 -0.318 0.25125E+04 199 chalcedony -2.80 -4.46 -1.65 -0.551 0.28229E+04 205 nontronite-Ca 3.21 -1.30 -4.51 -0.293 0.77079E+04 208 nontronite-Mg 3.07 -1.44 -4.51 -0.293 0.77033E+04 214 gypsum -4.96 -9.43 -4.47 -1.118 0.76368E+04 233 boehmite 4.41 2.87 -1.53 -0.255 0.26169E+04 235 ferrous-oxide 9.81 6.89 -2.92 -0.730 0.49852E+04 240 silica-amorphous -2.09 -4.46 -2.36 -0.788 0.40371E+04 Calculations done for 100.0000 Deg. C; 50.0000 bar Next reactant titration increment of: 0.0001000 g Current total amount of reactant added: 0.0034000 g New total amount of reactant added: 0.0035000 g Solids and gases carried Charge balance check after fractionation or titration: TBAL = 0.7000E-15 ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ 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 = 0.0035000 Water: Moles liquid = 0.5551E+02 kg liquid = 0.1000E+01 Moles total = 0.5551E+02 kg total = 0.1000E+01 Activity = 1.0000 Stoichiometric ionic strength = .2543042E-03 Osmotic coef. = 0.9904 True ionic strength = .2542552E-03 Chg. balance for total moles = 0.7000E-15 Max. difference allowed = 0.1380E-07 Log Log Log Species(n) Molality Molality Activity Activity Gamma Gamma 1 H+ 0.87164E-07 -7.0597 0.83812E-07 -7.0767 0.96155E+00 -0.0170 2 H2O 0.10000E+01 0.0000 0.10000E+01 0.0000 3 Cl- 0.13796E-03 -3.8602 0.13264E-03 -3.8773 0.96144E+00 -0.0171 4 SO4-- 0.25180E-04 -4.5989 0.22704E-04 -4.6439 0.90168E+00 -0.0449 5 HCO3- 0.11133E-04 -4.9534 0.10704E-04 -4.9705 0.96146E+00 -0.0171 6 HS- 0.16236E-06 -6.7895 0.15610E-06 -6.8066 0.96144E+00 -0.0171 7 Al+++ 0.54345E-18 -18.2648 0.44016E-18 -18.3564 0.80995E+00 -0.0915 8 H4SiO4 0.36026E-04 -4.4434 0.36026E-04 -4.4434 0.10000E+01 0.0000 9 Ca++ 0.18352E-04 -4.7363 0.16545E-04 -4.7813 0.90156E+00 -0.0450 10 Mg++ 0.27642E-05 -5.5584 0.24919E-05 -5.6035 0.90148E+00 -0.0450 11 Fe++ 0.61516E-07 -7.2110 0.55456E-07 -7.2560 0.90150E+00 -0.0450 12 K+ 0.74283E-06 -6.1291 0.71421E-06 -6.1462 0.96147E+00 -0.0171 13 Na+ 0.16446E-03 -3.7840 0.15811E-03 -3.8010 0.96143E+00 -0.0171 14 Mn++ 0.58315E-07 -7.2342 0.52572E-07 -7.2792 0.90152E+00 -0.0450 15 HPO4-- 0.84535E-08 -8.0730 0.76224E-08 -8.1179 0.90169E+00 -0.0449 16 HSiO3- 0.41746E-06 -6.3794 0.40136E-06 -6.3965 0.96144E+00 -0.0171 17 Ca(HSiO3)+ 0.15729E-09 -9.8033 0.15123E-09 -9.8204 0.96147E+00 -0.0171 18 Mg(HSiO3)+ 0.29483E-10 -10.5304 0.28347E-10 -10.5475 0.96147E+00 -0.0171 19 NaHSiO3,aq 0.10264E-08 -8.9887 0.10264E-08 -8.9887 0.10000E+01 0.0000 20 AlO+ 0.88663E-11 -11.0523 0.85247E-11 -11.0693 0.96147E+00 -0.0171 21 AlOH+2 0.39462E-14 -14.4038 0.35576E-14 -14.4488 0.90153E+00 -0.0450 22 HAlO2,aq 0.20256E-07 -7.6935 0.20256E-07 -7.6935 0.10000E+01 0.0000 23 AlO2- 0.55646E-06 -6.2546 0.53498E-06 -6.2717 0.96140E+00 -0.0171 24 CH4,aq 0.71491E-13 -13.1457 0.71485E-13 -13.1458 0.99992E+00 0.0000 29 CO,aq 0.31054E-15 -15.5079 0.31054E-15 -15.5079 0.10000E+01 0.0000 30 CO2,aq 0.19170E-05 -5.7174 0.19169E-05 -5.7174 0.99992E+00 0.0000 31 CO3-2 0.12372E-07 -7.9076 0.11155E-07 -7.9525 0.90165E+00 -0.0450 32 CaCO3,aq 0.23142E-08 -8.6356 0.23142E-08 -8.6356 0.10000E+01 0.0000 33 Ca(HCO3)+ 0.47017E-08 -8.3277 0.45206E-08 -8.3448 0.96147E+00 -0.0171 34 CaCl+ 0.36939E-08 -8.4325 0.35516E-08 -8.4496 0.96147E+00 -0.0171 35 CaCl2,aq 0.11192E-12 -12.9511 0.11192E-12 -12.9511 0.10000E+01 0.0000 36 CaOH+ 0.14633E-07 -7.8347 0.14069E-07 -7.8517 0.96147E+00 -0.0171 37 CaSO4,aq 0.11929E-06 -6.9234 0.11929E-06 -6.9234 0.10000E+01 0.0000 38 HCl,aq 0.20372E-11 -11.6910 0.20372E-11 -11.6910 0.10000E+01 0.0000 43 FeCl+ 0.12110E-10 -10.9169 0.11643E-10 -10.9339 0.96147E+00 -0.0171 44 FeCl2,aq 0.48895E-19 -19.3107 0.48895E-19 -19.3107 0.10000E+01 0.0000 46 FeO,aq 0.30683E-09 -9.5131 0.30683E-09 -9.5131 0.10000E+01 0.0000 47 FeOH+ 0.22401E-07 -7.6497 0.21538E-07 -7.6668 0.96147E+00 -0.0171 48 HFeO2- 0.39842E-10 -10.3997 0.38305E-10 -10.4167 0.96144E+00 -0.0171 49 FeO+ 0.66537E-12 -12.1769 0.63973E-12 -12.1940 0.96147E+00 -0.0171 50 FeOH+2 0.11358E-16 -16.9447 0.10239E-16 -16.9897 0.90153E+00 -0.0450 51 FeO2- 0.19383E-10 -10.7126 0.18635E-10 -10.7297 0.96144E+00 -0.0171 52 HFeO2,aq 0.19864E-09 -9.7019 0.19864E-09 -9.7019 0.10000E+01 0.0000 53 H2,aq 0.64493E-08 -8.1905 0.64488E-08 -8.1905 0.99992E+00 0.0000 54 KCl,aq 0.17170E-11 -11.7652 0.17170E-11 -11.7652 0.10000E+01 0.0000 55 KHSO4,aq 0.38426E-17 -17.4154 0.38426E-17 -17.4154 0.10000E+01 0.0000 56 KOH,aq 0.36392E-11 -11.4390 0.36392E-11 -11.4390 0.10000E+01 0.0000 57 KSO4- 0.26172E-09 -9.5822 0.25163E-09 -9.5992 0.96144E+00 -0.0171 58 MgCO3,aq 0.87366E-10 -10.0587 0.87366E-10 -10.0587 0.10000E+01 0.0000 59 Mg(HCO3)+ 0.72358E-09 -9.1405 0.69570E-09 -9.1576 0.96147E+00 -0.0171 60 MgCl+ 0.50424E-09 -9.2974 0.48481E-09 -9.3144 0.96147E+00 -0.0171 61 MgOH+ 0.12195E-07 -7.9138 0.11725E-07 -7.9309 0.96147E+00 -0.0171 63 MnO,aq 0.77506E-11 -11.1107 0.77506E-11 -11.1107 0.10000E+01 0.0000 64 MnOH+ 0.19728E-08 -8.7049 0.18968E-08 -8.7220 0.96147E+00 -0.0171 65 MnO2-2 0.40612E-19 -19.3913 0.36618E-19 -19.4363 0.90165E+00 -0.0450 66 HMnO2- 0.69934E-15 -15.1553 0.67237E-15 -15.1724 0.96144E+00 -0.0171 69 MnCl+ 0.44662E-10 -10.3501 0.42941E-10 -10.3671 0.96147E+00 -0.0171 70 MnSO4,aq 0.34459E-09 -9.4627 0.34459E-09 -9.4627 0.10000E+01 0.0000 71 NaCl,aq 0.69504E-08 -8.1580 0.69504E-08 -8.1580 0.10000E+01 0.0000 72 NaOH,aq 0.81054E-09 -9.0912 0.81054E-09 -9.0912 0.10000E+01 0.0000 74 OH- 0.71704E-05 -5.1445 0.68937E-05 -5.1615 0.96140E+00 -0.0171 79 HPO3-2 0.16989E-18 -18.7698 0.15319E-18 -18.8148 0.90165E+00 -0.0450 81 H2PO3- 0.26778E-19 -19.5722 0.25746E-19 -19.5893 0.96144E+00 -0.0171 82 H3PO4,aq 0.37448E-12 -12.4266 0.37448E-12 -12.4266 0.10000E+01 0.0000 83 H2PO4- 0.12258E-07 -7.9116 0.11785E-07 -7.9287 0.96145E+00 -0.0171 84 PO4-3 0.91529E-13 -13.0384 0.74203E-13 -13.1296 0.81070E+00 -0.0911 87 H2P2O7-2 0.12078E-16 -16.9180 0.10890E-16 -16.9630 0.90165E+00 -0.0450 88 HP2O7-3 0.32033E-16 -16.4944 0.25945E-16 -16.5859 0.80995E+00 -0.0915 89 P2O7-4 0.10604E-18 -18.9745 0.73954E-19 -19.1310 0.69744E+00 -0.1565 90 H2S,aq 0.40438E-07 -7.3932 0.40435E-07 -7.3932 0.99992E+00 0.0000 91 S2-2 0.92857E-16 -16.0322 0.83724E-16 -16.0771 0.90165E+00 -0.0450 96 SO2,aq 0.45932E-17 -17.3379 0.45932E-17 -17.3379 0.10000E+01 0.0000 97 SO3-2 0.21096E-13 -13.6758 0.19027E-13 -13.7206 0.90190E+00 -0.0448 98 HSO3- 0.10385E-12 -12.9836 0.99846E-13 -13.0007 0.96144E+00 -0.0171 99 HSO4- 0.19073E-08 -8.7196 0.18339E-08 -8.7366 0.96149E+00 -0.0171 101 S2O3-2 0.11960E-13 -13.9223 0.10784E-13 -13.9672 0.90165E+00 -0.0450 102 HS2O3- 0.16809E-18 -18.7745 0.16161E-18 -18.7915 0.96144E+00 -0.0171 Charge balance for all species = 0.7000E-15 Component Molality Aq.molality ppm log[A(N)/A(H+)**Z] (total) 1 H+ 0.8716397E-07 -.7886503E-05 -.7949009E-02 0.0000 2 H2O 0.1000000E+01 0.5550826E+02 0.9999837E+06 0.0000 3 Cl- 0.1379632E-03 0.1379744E-03 0.4891536E+01 3.1994 4 SO4-- 0.2517991E-04 0.2530012E-04 0.2430336E+01 9.5095 5 HCO3- 0.1113277E-04 0.1307002E-04 0.7974846E+00 2.1062 6 HS- 0.1623600E-06 0.2043828E-06 0.6759253E-02 0.2701 7 Al+++ 0.5434498E-18 0.5767232E-06 0.1556064E-01 2.8737 8 H4SiO4 0.3602611E-04 0.3644479E-04 0.3502856E+01 -4.4434 9 Ca++ 0.1835180E-04 0.1849658E-04 0.7412956E+00 9.3721 10 Mg++ 0.2764241E-05 0.2777781E-05 0.6753247E-01 8.5499 11 Fe++ 0.6151561E-07 0.8449445E-07 0.4718695E-02 6.8973 12 K+ 0.7428337E-06 0.7431008E-06 0.2905632E-01 0.9305 13 Na+ 0.1644558E-03 0.1644646E-03 0.3780954E+01 3.2757 14 Mn++ 0.5831538E-07 0.6068517E-07 0.3333875E-02 6.8741 15 HPO4-- 0.8453516E-08 0.2071155E-07 0.1987845E-02 6.0355 Component Tot moles Aq. moles Solid moles Gas moles 1 H+ -.4491480E-04 -.7886492E-05 -.3702831E-04 0.0000000E+00 2 H2O 0.5550821E+02 0.5550818E+02 0.2408278E-04 0.0000000E+00 3 Cl- 0.1379742E-03 0.1379742E-03 0.0000000E+00 0.0000000E+00 4 SO4-- 0.2560147E-04 0.2530009E-04 0.3013795E-06 0.0000000E+00 5 HCO3- 0.1307000E-04 0.1307000E-04 0.0000000E+00 0.0000000E+00 6 HS- -.9699693E-07 0.2043825E-06 -.3013795E-06 0.0000000E+00 7 Al+++ 0.1141260E-04 0.5767224E-06 0.1083587E-04 0.0000000E+00 8 H4SiO4 0.3644474E-04 0.3644474E-04 0.0000000E+00 0.0000000E+00 9 Ca++ 0.1849656E-04 0.1849656E-04 0.0000000E+00 0.0000000E+00 10 Mg++ 0.2777778E-05 0.2777778E-05 0.0000000E+00 0.0000000E+00 11 Fe++ 0.2495530E-05 0.8449434E-07 0.2411036E-05 0.0000000E+00 12 K+ 0.7430998E-06 0.7430998E-06 0.0000000E+00 0.0000000E+00 13 Na+ 0.1644644E-03 0.1644644E-03 0.0000000E+00 0.0000000E+00 14 Mn++ 0.6068509E-07 0.6068509E-07 0.0000000E+00 0.0000000E+00 15 HPO4-- 0.2071152E-07 0.2071152E-07 0.0000000E+00 0.0000000E+00 Chg. balance for solid moles: 0.8470E-21 Mass of aqueous solution: 0.100001E+04 g Temperature = 100.00 C Pressure = 50.00 bar Mixer frac. = 0.0035000 Log Log Vol Gas or mineral Moles Moles Grams Grams Wt.% (cm3) diaspore 0.1084E-04 -4.965 0.6500E-03 -3.187 77.15 0.1935E-03 hematite 0.1206E-05 -5.919 0.1925E-03 -3.716 22.85 0.3649E-04 Partial press. Fugacity coef Log fugacity Gas or Mineral Mole fraction or activity Activity coef Log activity diaspore 0.1000E+01 0.1000E+01 1.0000 0.000 hematite 0.1000E+01 0.1000E+01 1.0000 0.000 Solid products produced: Mass = 0.000843 g Volume = 0.000230 cm3 Porosity: 99.9770% V(tot) - V(min): 0.10012E+01 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: 0.0035000 g log = -2.4559 Original solution: 1000.0102895 g Original solution / Rock added: 285717.23 (Water/Rock Ratio), log = 5.4559 Gas composition at saturation ( 2 iterations) ------------------------------------------------- Temperature: 100.0000 deg.C Sat. pressure: 1.0205 bar Gas Mole fraction phi Fugacity Partial P(bar) H2O,gas 0.9998E+00 0.9860 0.1006E+01 0.1020E+01 CO2,gas 0.1995E-03 1.0071 0.2051E-03 0.2036E-03 CH4,gas 0.1018E-09 1.0125 0.1052E-09 0.1039E-09 H2,gas 0.8292E-05 1.0005 0.8467E-05 0.8462E-05 H2S,gas 0.1094E-05 0.9960 0.1112E-05 0.1116E-05 S2,gas 0.6340E-21 1.0000 0.6470E-21 0.6470E-21 CO,gas 0.4535E-12 1.0000 0.4628E-12 0.4628E-12 SO3,gas 0.5909E-34 1.0000 0.6030E-34 0.6030E-34 SO2,gas 0.1946E-16 1.0000 0.1986E-16 0.1986E-16 HCl,gas 0.3522E-14 1.0000 0.3595E-14 0.3595E-14 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 65 diaspore 2.87 2.87 0.00 0.000 -0.30331E-11 90 hematite 12.57 12.57 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 -1.696 0.28965E+04 0.003 2 CO2,gas -6.66 -12.05 -5.39 -1.796 0.91982E+04 -3.688 3 CH4,gas 4.54 -7.13 -11.68 -2.919 0.19938E+05 -9.978 4 H2,gas 8.00 1.23 -6.77 -3.869 0.11562E+05 -5.072 5 H2S,gas -6.23 -13.88 -7.65 -3.827 0.13067E+05 -5.954 6 S2,gas -7.34 -30.22 -22.89 -3.521 0.39081E+05 -21.189 7 CO,gas 3.21 -10.82 -14.03 -4.318 0.23962E+05 -12.335 8 SO3,gas 17.12 -18.80 -35.92 -8.980 0.61330E+05 -34.220 9 SO2,gas 0.83 -17.57 -18.40 -4.907 0.31419E+05 -16.702 10 HCl,gas 5.19 -10.95 -16.14 -8.072 0.27564E+05 -14.444 21 andalusite 5.00 1.30 -3.70 -0.370 0.63134E+04 24 anhydrite -5.32 -9.43 -4.11 -2.054 0.70150E+04 32 apatite-OH -18.15 -19.95 -1.80 -0.138 0.30736E+04 35 aragonite 0.97 -2.68 -3.64 -1.214 0.62180E+04 36 brucite 12.57 8.55 -4.02 -0.804 0.68617E+04 37 calcite 0.81 -2.68 -3.49 -1.162 0.59537E+04 40 carpholite-Mg 8.58 5.41 -3.17 -0.211 0.54153E+04 41 carpholite-Fe 6.71 3.76 -2.95 -0.197 0.50450E+04 46 clinochlore 39.07 35.17 -3.90 -0.122 0.66637E+04 47 daphnite 28.97 26.90 -2.06 -0.064 0.35196E+04 50 chloritoid-Mg 13.20 9.85 -3.34 -0.223 0.57094E+04 51 chloritoid-Fe 9.17 8.20 -0.97 -0.065 0.16601E+04 52 chloritoid-Mn 11.40 8.18 -3.22 -0.215 0.55030E+04 54 coesite -2.38 -4.44 -2.07 -0.689 0.35299E+04 59 corundum 8.38 5.75 -2.64 -0.240 0.45004E+04 61 cristobalite -2.56 -4.44 -1.88 -0.628 0.32152E+04 78 fayalite 14.05 9.35 -4.69 -0.671 0.80156E+04 83 gibbsite 4.08 2.87 -1.21 -0.172 0.20585E+04 87 greenalite 16.14 11.81 -4.33 -0.361 0.74006E+04 92 hercynite 17.28 12.64 -4.63 -0.309 0.79121E+04 98 kaolinite -1.33 -3.14 -1.81 -0.164 0.30847E+04 99 kyanite 4.88 1.30 -3.57 -0.357 0.60993E+04 102 lawsonite 9.62 6.23 -3.38 -0.226 0.57770E+04 106 magnesite 0.69 -3.50 -4.19 -1.396 0.71506E+04 107 magnetite 20.09 19.46 -0.62 -0.051 0.10652E+04 128 periclase-Fe 11.63 6.90 -4.73 -1.182 0.80751E+04 142 pyrite -21.25 -22.10 -0.85 -0.200 0.14527E+04 143 pyrrhotite -4.26 -6.99 -2.73 -0.909 0.46539E+04 144 pyrrhotiteFe0.875 -6.02 -8.00 -1.98 -0.729 0.33868E+04 145 pyroxmangite 7.40 2.43 -4.97 -0.994 0.84826E+04 147 quartz -2.99 -4.44 -1.45 -0.485 0.24826E+04 151 rhodochrosite -0.98 -5.17 -4.20 -1.399 0.71657E+04 155 siderite -2.61 -5.15 -2.54 -0.847 0.43398E+04 156 sillimanite 5.26 1.30 -3.96 -0.396 0.67573E+04 177 topaz-H 4.62 1.30 -3.31 -0.301 0.56594E+04 178 tridymite -2.63 -4.44 -1.82 -0.606 0.31026E+04 181 troilite-low -4.41 -6.99 -2.58 -0.858 0.43968E+04 192 akaganeite 7.75 6.28 -1.47 -0.318 0.25125E+04 199 chalcedony -2.80 -4.44 -1.64 -0.547 0.28019E+04 205 nontronite-Ca 3.21 -1.25 -4.46 -0.289 0.76168E+04 208 nontronite-Mg 3.07 -1.38 -4.46 -0.289 0.76095E+04 214 gypsum -4.96 -9.43 -4.47 -1.118 0.76326E+04 233 boehmite 4.41 2.87 -1.53 -0.255 0.26169E+04 235 ferrous-oxide 9.81 6.90 -2.91 -0.729 0.49760E+04 240 silica-amorphous -2.09 -4.44 -2.35 -0.784 0.40161E+04 Calculations done for 100.0000 Deg. C; 50.0000 bar Next reactant titration increment of: 0.0001000 g Current total amount of reactant added: 0.0035000 g New total amount of reactant added: 0.0036000 g Solids and gases carried Charge balance check after fractionation or titration: TBAL = 0.7001E-15 ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ 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 = 0.0036000 Water: Moles liquid = 0.5551E+02 kg liquid = 0.1000E+01 Moles total = 0.5551E+02 kg total = 0.1000E+01 Activity = 1.0000 Stoichiometric ionic strength = .2548805E-03 Osmotic coef. = 0.9904 True ionic strength = .2549558E-03 Chg. balance for total moles = 0.7001E-15 Max. difference allowed = 0.1380E-07 Log Log Log Species(n) Molality Molality Activity Activity Gamma Gamma 1 H+ 0.82795E-07 -7.0820 0.79609E-07 -7.0990 0.96152E+00 -0.0170 2 H2O 0.10000E+01 0.0000 0.10000E+01 0.0000 3 Cl- 0.13796E-03 -3.8602 0.13264E-03 -3.8773 0.96141E+00 -0.0171 4 SO4-- 0.25172E-04 -4.5991 0.22695E-04 -4.6441 0.90158E+00 -0.0450 5 HCO3- 0.11215E-04 -4.9502 0.10782E-04 -4.9673 0.96143E+00 -0.0171 6 HS- 0.16956E-06 -6.7707 0.16302E-06 -6.7878 0.96141E+00 -0.0171 7 Al+++ 0.46584E-18 -18.3318 0.37721E-18 -18.4234 0.80974E+00 -0.0917 8 H4SiO4 0.37033E-04 -4.4314 0.37033E-04 -4.4314 0.10000E+01 0.0000 9 Ca++ 0.18465E-04 -4.7337 0.16645E-04 -4.7787 0.90146E+00 -0.0451 10 Mg++ 0.28425E-05 -5.5463 0.25622E-05 -5.5914 0.90138E+00 -0.0451 11 Fe++ 0.56172E-07 -7.2505 0.50633E-07 -7.2956 0.90140E+00 -0.0451 12 K+ 0.76406E-06 -6.1169 0.73459E-06 -6.1340 0.96144E+00 -0.0171 13 Na+ 0.16458E-03 -3.7836 0.15823E-03 -3.8007 0.96141E+00 -0.0171 14 Mn++ 0.59878E-07 -7.2227 0.53975E-07 -7.2678 0.90141E+00 -0.0451 15 HPO4-- 0.89615E-08 -8.0476 0.80795E-08 -8.0926 0.90158E+00 -0.0450 16 HSiO3- 0.45180E-06 -6.3451 0.43436E-06 -6.3621 0.96141E+00 -0.0171 17 Ca(HSiO3)+ 0.17126E-09 -9.7663 0.16466E-09 -9.7834 0.96144E+00 -0.0171 18 Mg(HSiO3)+ 0.32808E-10 -10.4840 0.31543E-10 -10.5011 0.96144E+00 -0.0171 19 NaHSiO3,aq 0.11116E-08 -8.9541 0.11116E-08 -8.9541 0.10000E+01 0.0000 20 AlO+ 0.84219E-11 -11.0746 0.80972E-11 -11.0917 0.96144E+00 -0.0171 21 AlOH+2 0.35608E-14 -14.4485 0.32098E-14 -14.4935 0.90143E+00 -0.0451 22 HAlO2,aq 0.20256E-07 -7.6935 0.20256E-07 -7.6935 0.10000E+01 0.0000 23 AlO2- 0.58585E-06 -6.2322 0.56322E-06 -6.2493 0.96137E+00 -0.0171 24 CH4,aq 0.75238E-13 -13.1236 0.75232E-13 -13.1236 0.99992E+00 0.0000 29 CO,aq 0.30428E-15 -15.5167 0.30428E-15 -15.5167 0.10000E+01 0.0000 30 CO2,aq 0.18342E-05 -5.7365 0.18341E-05 -5.7366 0.99992E+00 0.0000 31 CO3-2 0.13122E-07 -7.8820 0.11830E-07 -7.9270 0.90154E+00 -0.0450 32 CaCO3,aq 0.24691E-08 -8.6075 0.24691E-08 -8.6075 0.10000E+01 0.0000 33 Ca(HCO3)+ 0.47649E-08 -8.3219 0.45812E-08 -8.3390 0.96144E+00 -0.0171 34 CaCl+ 0.37162E-08 -8.4299 0.35730E-08 -8.4470 0.96144E+00 -0.0171 35 CaCl2,aq 0.11259E-12 -12.9485 0.11259E-12 -12.9485 0.10000E+01 0.0000 36 CaOH+ 0.15499E-07 -7.8097 0.14902E-07 -7.8268 0.96144E+00 -0.0171 37 CaSO4,aq 0.11996E-06 -6.9210 0.11996E-06 -6.9210 0.10000E+01 0.0000 38 HCl,aq 0.19349E-11 -11.7133 0.19349E-11 -11.7133 0.10000E+01 0.0000 43 FeCl+ 0.11056E-10 -10.9564 0.10630E-10 -10.9735 0.96144E+00 -0.0171 44 FeCl2,aq 0.44640E-19 -19.3503 0.44640E-19 -19.3503 0.10000E+01 0.0000 46 FeO,aq 0.31051E-09 -9.5079 0.31051E-09 -9.5079 0.10000E+01 0.0000 47 FeOH+ 0.21533E-07 -7.6669 0.20703E-07 -7.6840 0.96144E+00 -0.0171 48 HFeO2- 0.42449E-10 -10.3721 0.40811E-10 -10.3892 0.96141E+00 -0.0171 49 FeO+ 0.63202E-12 -12.1993 0.60765E-12 -12.2163 0.96144E+00 -0.0171 50 FeOH+2 0.10248E-16 -16.9893 0.92381E-17 -17.0344 0.90143E+00 -0.0451 51 FeO2- 0.20406E-10 -10.6902 0.19619E-10 -10.7073 0.96141E+00 -0.0171 52 HFeO2,aq 0.19864E-09 -9.7019 0.19864E-09 -9.7019 0.10000E+01 0.0000 53 H2,aq 0.66047E-08 -8.1801 0.66042E-08 -8.1802 0.99992E+00 0.0000 54 KCl,aq 0.17659E-11 -11.7530 0.17659E-11 -11.7530 0.10000E+01 0.0000 55 KHSO4,aq 0.37525E-17 -17.4257 0.37525E-17 -17.4257 0.10000E+01 0.0000 56 KOH,aq 0.39407E-11 -11.4044 0.39407E-11 -11.4044 0.10000E+01 0.0000 57 KSO4- 0.26909E-09 -9.5701 0.25870E-09 -9.5872 0.96141E+00 -0.0171 58 MgCO3,aq 0.95266E-10 -10.0211 0.95266E-10 -10.0211 0.10000E+01 0.0000 59 Mg(HCO3)+ 0.74946E-09 -9.1253 0.72056E-09 -9.1423 0.96144E+00 -0.0171 60 MgCl+ 0.51846E-09 -9.2853 0.49847E-09 -9.3024 0.96144E+00 -0.0171 61 MgOH+ 0.13202E-07 -7.8794 0.12693E-07 -7.8964 0.96144E+00 -0.0171 63 MnO,aq 0.88198E-11 -11.0545 0.88198E-11 -11.0545 0.10000E+01 0.0000 64 MnOH+ 0.21324E-08 -8.6711 0.20502E-08 -8.6882 0.96144E+00 -0.0171 65 MnO2-2 0.51229E-19 -19.2905 0.46185E-19 -19.3355 0.90154E+00 -0.0450 66 HMnO2- 0.83786E-15 -15.0768 0.80552E-15 -15.0939 0.96141E+00 -0.0171 69 MnCl+ 0.45854E-10 -10.3386 0.44086E-10 -10.3557 0.96144E+00 -0.0171 70 MnSO4,aq 0.35364E-09 -9.4514 0.35364E-09 -9.4514 0.10000E+01 0.0000 71 NaCl,aq 0.69552E-08 -8.1577 0.69552E-08 -8.1577 0.10000E+01 0.0000 72 NaOH,aq 0.85396E-09 -9.0686 0.85396E-09 -9.0686 0.10000E+01 0.0000 74 OH- 0.75492E-05 -5.1221 0.72576E-05 -5.1392 0.96137E+00 -0.0171 79 HPO3-2 0.18444E-18 -18.7341 0.16628E-18 -18.7792 0.90154E+00 -0.0450 81 H2PO3- 0.27611E-19 -19.5589 0.26546E-19 -19.5760 0.96141E+00 -0.0171 82 H3PO4,aq 0.35812E-12 -12.4460 0.35812E-12 -12.4460 0.10000E+01 0.0000 83 H2PO4- 0.12341E-07 -7.9086 0.11865E-07 -7.9257 0.96142E+00 -0.0171 84 PO4-3 0.10217E-12 -12.9907 0.82804E-13 -13.0819 0.81050E+00 -0.0912 87 H2P2O7-2 0.12245E-16 -16.9121 0.11039E-16 -16.9571 0.90154E+00 -0.0450 88 HP2O7-3 0.34194E-16 -16.4661 0.27688E-16 -16.5577 0.80974E+00 -0.0917 89 P2O7-4 0.11919E-18 -18.9238 0.83089E-19 -19.0805 0.69712E+00 -0.1567 90 H2S,aq 0.40113E-07 -7.3967 0.40110E-07 -7.3968 0.99992E+00 0.0000 91 S2-2 0.98902E-16 -16.0048 0.89164E-16 -16.0498 0.90154E+00 -0.0450 96 SO2,aq 0.42422E-17 -17.3724 0.42422E-17 -17.3724 0.10000E+01 0.0000 97 SO3-2 0.21598E-13 -13.6656 0.19477E-13 -13.7105 0.90179E+00 -0.0449 98 HSO3- 0.10098E-12 -12.9958 0.97084E-13 -13.0129 0.96141E+00 -0.0171 99 HSO4- 0.18110E-08 -8.7421 0.17412E-08 -8.7592 0.96146E+00 -0.0171 101 S2O3-2 0.11861E-13 -13.9259 0.10693E-13 -13.9709 0.90154E+00 -0.0450 102 HS2O3- 0.15832E-18 -18.8005 0.15221E-18 -18.8176 0.96141E+00 -0.0171 Charge balance for all species = 0.7000E-15 Component Molality Aq.molality ppm log[A(N)/A(H+)**Z] (total) 1 H+ 0.8279532E-07 -.8506992E-05 -.8574415E-02 0.0000 2 H2O 0.1000000E+01 0.5550826E+02 0.9999836E+06 0.0000 3 Cl- 0.1379631E-03 0.1379744E-03 0.4891536E+01 3.2217 4 SO4-- 0.2517244E-04 0.2529321E-04 0.2429671E+01 9.5540 5 HCO3- 0.1121458E-04 0.1307002E-04 0.7974845E+00 2.1317 6 HS- 0.1695631E-06 0.2112998E-06 0.6988006E-02 0.3113 7 Al+++ 0.4658448E-18 0.6061177E-06 0.1635373E-01 2.8737 8 H4SiO4 0.3703296E-04 0.3748607E-04 0.3602937E+01 -4.4314 9 Ca++ 0.1846502E-04 0.1861160E-04 0.7459050E+00 9.4194 10 Mg++ 0.2842549E-05 0.2857147E-05 0.6946196E-01 8.6067 11 Fe++ 0.5617183E-07 0.7828898E-07 0.4372142E-02 6.9025 12 K+ 0.7640575E-06 0.7643323E-06 0.2988649E-01 0.9651 13 Na+ 0.1645812E-03 0.1645901E-03 0.3783840E+01 3.2983 14 Mn++ 0.5987831E-07 0.6241903E-07 0.3429128E-02 6.9303 15 HPO4-- 0.8961452E-08 0.2130331E-07 0.2044641E-02 6.1055 Component Tot moles Aq. moles Solid moles Gas moles 1 H+ -.4657066E-04 -.8506980E-05 -.3806368E-04 0.0000000E+00 2 H2O 0.5550821E+02 0.5550818E+02 0.2475365E-04 0.0000000E+00 3 Cl- 0.1379742E-03 0.1379742E-03 0.0000000E+00 0.0000000E+00 4 SO4-- 0.2560424E-04 0.2529317E-04 0.3110678E-06 0.0000000E+00 5 HCO3- 0.1307000E-04 0.1307000E-04 0.0000000E+00 0.0000000E+00 6 HS- -.9976827E-07 0.2112995E-06 -.3110678E-06 0.0000000E+00 7 Al+++ 0.1173867E-04 0.6061168E-06 0.1113255E-04 0.0000000E+00 8 H4SiO4 0.3748602E-04 0.3748602E-04 0.0000000E+00 0.0000000E+00 9 Ca++ 0.1861157E-04 0.1861157E-04 0.0000000E+00 0.0000000E+00 10 Mg++ 0.2857143E-05 0.2857143E-05 0.0000000E+00 0.0000000E+00 11 Fe++ 0.2566831E-05 0.7828887E-07 0.2488542E-05 0.0000000E+00 12 K+ 0.7643312E-06 0.7643312E-06 0.0000000E+00 0.0000000E+00 13 Na+ 0.1645899E-03 0.1645899E-03 0.0000000E+00 0.0000000E+00 14 Mn++ 0.6241895E-07 0.6241895E-07 0.0000000E+00 0.0000000E+00 15 HPO4-- 0.2130328E-07 0.2130328E-07 0.0000000E+00 0.0000000E+00 Chg. balance for solid moles: -.7623E-20 Mass of aqueous solution: 0.100001E+04 g Temperature = 100.00 C Pressure = 50.00 bar Mixer frac. = 0.0036000 Log Log Vol Gas or mineral Moles Moles Grams Grams Wt.% (cm3) diaspore 0.1113E-04 -4.953 0.6678E-03 -3.175 77.07 0.1988E-03 hematite 0.1244E-05 -5.905 0.1987E-03 -3.702 22.93 0.3766E-04 Partial press. Fugacity coef Log fugacity Gas or Mineral Mole fraction or activity Activity coef Log activity diaspore 0.1000E+01 0.1000E+01 1.0000 0.000 hematite 0.1000E+01 0.1000E+01 1.0000 0.000 Solid products produced: Mass = 0.000867 g Volume = 0.000236 cm3 Porosity: 99.9764% V(tot) - V(min): 0.10012E+01 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: 0.0036000 g log = -2.4437 Original solution: 1000.0102895 g Original solution / Rock added: 277780.64 (Water/Rock Ratio), log = 5.4437 Gas composition at saturation ( 2 iterations) ------------------------------------------------- Temperature: 100.0000 deg.C Sat. pressure: 1.0205 bar Gas Mole fraction phi Fugacity Partial P(bar) H2O,gas 0.9998E+00 0.9860 0.1006E+01 0.1020E+01 CO2,gas 0.1909E-03 1.0071 0.1962E-03 0.1948E-03 CH4,gas 0.1072E-09 1.0125 0.1107E-09 0.1094E-09 H2,gas 0.8492E-05 1.0005 0.8671E-05 0.8666E-05 H2S,gas 0.1085E-05 0.9960 0.1103E-05 0.1107E-05 S2,gas 0.5948E-21 1.0000 0.6070E-21 0.6070E-21 CO,gas 0.4443E-12 1.0000 0.4534E-12 0.4534E-12 SO3,gas 0.5329E-34 1.0000 0.5438E-34 0.5438E-34 SO2,gas 0.1798E-16 1.0000 0.1834E-16 0.1834E-16 HCl,gas 0.3346E-14 1.0000 0.3414E-14 0.3414E-14 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 65 diaspore 2.87 2.87 0.00 0.000 -0.30331E-11 90 hematite 12.57 12.57 0.00 0.000 -0.30331E-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 -1.696 0.28965E+04 0.003 2 CO2,gas -6.66 -12.07 -5.41 -1.802 0.92310E+04 -3.707 3 CH4,gas 4.54 -7.11 -11.65 -2.914 0.19900E+05 -9.956 4 H2,gas 8.00 1.24 -6.76 -3.863 0.11544E+05 -5.062 5 H2S,gas -6.23 -13.89 -7.66 -3.828 0.13073E+05 -5.958 6 S2,gas -7.34 -30.25 -22.92 -3.526 0.39128E+05 -21.217 7 CO,gas 3.21 -10.83 -14.04 -4.321 0.23977E+05 -12.343 8 SO3,gas 17.12 -18.84 -35.96 -8.991 0.61407E+05 -34.265 9 SO2,gas 0.83 -17.60 -18.44 -4.916 0.31478E+05 -16.736 10 HCl,gas 5.19 -10.98 -16.17 -8.083 0.27602E+05 -14.467 21 andalusite 5.00 1.32 -3.69 -0.369 0.62930E+04 24 anhydrite -5.32 -9.42 -4.11 -2.053 0.70108E+04 32 apatite-OH -18.15 -19.78 -1.62 -0.125 0.27691E+04 35 aragonite 0.97 -2.65 -3.61 -1.204 0.61699E+04 36 brucite 12.57 8.61 -3.96 -0.792 0.67648E+04 37 calcite 0.81 -2.65 -3.46 -1.153 0.59057E+04 40 carpholite-Mg 8.58 5.49 -3.09 -0.206 0.52775E+04 41 carpholite-Fe 6.71 3.79 -2.93 -0.195 0.49953E+04 46 clinochlore 39.07 35.49 -3.58 -0.112 0.61177E+04 47 daphnite 28.97 26.97 -2.00 -0.062 0.34142E+04 50 chloritoid-Mg 13.20 9.92 -3.28 -0.218 0.55920E+04 51 chloritoid-Fe 9.17 8.22 -0.96 -0.064 0.16309E+04 52 chloritoid-Mn 11.40 8.25 -3.15 -0.210 0.53868E+04 54 coesite -2.38 -4.43 -2.06 -0.685 0.35095E+04 59 corundum 8.38 5.75 -2.64 -0.240 0.45004E+04 61 cristobalite -2.56 -4.43 -1.87 -0.624 0.31948E+04 78 fayalite 14.05 9.37 -4.67 -0.667 0.79775E+04 83 gibbsite 4.08 2.87 -1.21 -0.172 0.20585E+04 87 greenalite 16.14 11.84 -4.29 -0.358 0.73333E+04 92 hercynite 17.28 12.65 -4.63 -0.309 0.79033E+04 98 kaolinite -1.33 -3.12 -1.78 -0.162 0.30438E+04 99 kyanite 4.88 1.32 -3.56 -0.356 0.60789E+04 102 lawsonite 9.62 6.30 -3.31 -0.221 0.56554E+04 106 magnesite 0.69 -3.46 -4.15 -1.383 0.70864E+04 107 magnetite 20.09 19.47 -0.62 -0.051 0.10564E+04 128 periclase-Fe 11.63 6.90 -4.72 -1.181 0.80662E+04 142 pyrite -21.25 -22.11 -0.86 -0.203 0.14735E+04 143 pyrrhotite -4.26 -6.98 -2.72 -0.908 0.46511E+04 144 pyrrhotiteFe0.875 -6.02 -8.00 -1.98 -0.730 0.33872E+04 145 pyroxmangite 7.40 2.50 -4.90 -0.980 0.83663E+04 147 quartz -2.99 -4.43 -1.44 -0.481 0.24621E+04 151 rhodochrosite -0.98 -5.14 -4.16 -1.387 0.71027E+04 152 rhodonite 7.45 2.50 -4.95 -0.989 0.84466E+04 155 siderite -2.61 -5.16 -2.56 -0.852 0.43638E+04 156 sillimanite 5.26 1.32 -3.95 -0.395 0.67369E+04 177 topaz-H 4.62 1.32 -3.30 -0.300 0.56389E+04 178 tridymite -2.63 -4.43 -1.81 -0.602 0.30821E+04 181 troilite-low -4.41 -6.98 -2.57 -0.858 0.43939E+04 192 akaganeite 7.75 6.28 -1.47 -0.318 0.25125E+04 199 chalcedony -2.80 -4.43 -1.63 -0.543 0.27814E+04 205 nontronite-Ca 3.21 -1.19 -4.41 -0.286 0.75285E+04 208 nontronite-Mg 3.07 -1.33 -4.40 -0.286 0.75185E+04 214 gypsum -4.96 -9.42 -4.47 -1.117 0.76284E+04 233 boehmite 4.41 2.87 -1.53 -0.255 0.26169E+04 235 ferrous-oxide 9.81 6.90 -2.91 -0.727 0.49672E+04 240 silica-amorphous -2.09 -4.43 -2.34 -0.780 0.39956E+04 Calculations done for 100.0000 Deg. C; 50.0000 bar Next reactant titration increment of: 0.0001000 g Current total amount of reactant added: 0.0036000 g New total amount of reactant added: 0.0037000 g Solids and gases carried Charge balance check after fractionation or titration: TBAL = 0.7001E-15 ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ 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 = 0.0037000 Water: Moles liquid = 0.5551E+02 kg liquid = 0.1000E+01 Moles total = 0.5551E+02 kg total = 0.1000E+01 Activity = 1.0000 Stoichiometric ionic strength = .2554601E-03 Osmotic coef. = 0.9903 True ionic strength = .2556586E-03 Chg. balance for total moles = 0.7001E-15 Max. difference allowed = 0.1380E-07 Log Log Log Species(n) Molality Molality Activity Activity Gamma Gamma 1 H+ 0.78791E-07 -7.1035 0.75757E-07 -7.1206 0.96149E+00 -0.0171 2 H2O 0.10000E+01 0.0000 0.10000E+01 0.0000 3 Cl- 0.13796E-03 -3.8602 0.13263E-03 -3.8773 0.96138E+00 -0.0171 4 SO4-- 0.25165E-04 -4.5992 0.22686E-04 -4.6442 0.90148E+00 -0.0450 5 HCO3- 0.11291E-04 -4.9473 0.10855E-04 -4.9644 0.96141E+00 -0.0171 6 HS- 0.17669E-06 -6.7528 0.16987E-06 -6.7699 0.96138E+00 -0.0171 7 Al+++ 0.40154E-18 -18.3963 0.32506E-18 -18.4880 0.80953E+00 -0.0918 8 H4SiO4 0.38038E-04 -4.4198 0.38038E-04 -4.4198 0.10000E+01 0.0000 9 Ca++ 0.18578E-04 -4.7310 0.16746E-04 -4.7761 0.90135E+00 -0.0451 10 Mg++ 0.29208E-05 -5.5345 0.26325E-05 -5.5796 0.90127E+00 -0.0451 11 Fe++ 0.51456E-07 -7.2886 0.46377E-07 -7.3337 0.90129E+00 -0.0451 12 K+ 0.78528E-06 -6.1050 0.75498E-06 -6.1221 0.96141E+00 -0.0171 13 Na+ 0.16471E-03 -3.7833 0.15835E-03 -3.8004 0.96138E+00 -0.0171 14 Mn++ 0.61434E-07 -7.2116 0.55371E-07 -7.2567 0.90131E+00 -0.0451 15 HPO4-- 0.94765E-08 -8.0234 0.85429E-08 -8.0684 0.90148E+00 -0.0450 16 HSiO3- 0.48768E-06 -6.3119 0.46884E-06 -6.3290 0.96138E+00 -0.0171 17 Ca(HSiO3)+ 0.18597E-09 -9.7306 0.17880E-09 -9.7476 0.96141E+00 -0.0171 18 Mg(HSiO3)+ 0.36384E-10 -10.4391 0.34980E-10 -10.4562 0.96141E+00 -0.0171 19 NaHSiO3,aq 0.12007E-08 -8.9206 0.12007E-08 -8.9206 0.10000E+01 0.0000 20 AlO+ 0.80146E-11 -11.0961 0.77054E-11 -11.1132 0.96141E+00 -0.0171 21 AlOH+2 0.32249E-14 -14.4915 0.29066E-14 -14.5366 0.90132E+00 -0.0451 22 HAlO2,aq 0.20256E-07 -7.6935 0.20256E-07 -7.6935 0.10000E+01 0.0000 23 AlO2- 0.61566E-06 -6.2107 0.59187E-06 -6.2278 0.96135E+00 -0.0171 24 CH4,aq 0.78960E-13 -13.1026 0.78954E-13 -13.1026 0.99992E+00 0.0000 29 CO,aq 0.29823E-15 -15.5254 0.29823E-15 -15.5254 0.10000E+01 0.0000 30 CO2,aq 0.17573E-05 -5.7552 0.17571E-05 -5.7552 0.99992E+00 0.0000 31 CO3-2 0.13884E-07 -7.8575 0.12515E-07 -7.9026 0.90144E+00 -0.0451 32 CaCO3,aq 0.26279E-08 -8.5804 0.26279E-08 -8.5804 0.10000E+01 0.0000 33 Ca(HCO3)+ 0.48261E-08 -8.3164 0.46398E-08 -8.3335 0.96141E+00 -0.0171 34 CaCl+ 0.37386E-08 -8.4273 0.35943E-08 -8.4444 0.96141E+00 -0.0171 35 CaCl2,aq 0.11326E-12 -12.9459 0.11326E-12 -12.9459 0.10000E+01 0.0000 36 CaOH+ 0.16386E-07 -7.7855 0.15754E-07 -7.8026 0.96141E+00 -0.0171 37 CaSO4,aq 0.12063E-06 -6.9185 0.12063E-06 -6.9185 0.10000E+01 0.0000 38 HCl,aq 0.18412E-11 -11.7349 0.18412E-11 -11.7349 0.10000E+01 0.0000 43 FeCl+ 0.10127E-10 -10.9945 0.97363E-11 -11.0116 0.96141E+00 -0.0171 44 FeCl2,aq 0.40885E-19 -19.3884 0.40885E-19 -19.3884 0.10000E+01 0.0000 46 FeO,aq 0.31407E-09 -9.5030 0.31407E-09 -9.5030 0.10000E+01 0.0000 47 FeOH+ 0.20727E-07 -7.6835 0.19927E-07 -7.7006 0.96141E+00 -0.0171 48 HFeO2- 0.45120E-10 -10.3456 0.43377E-10 -10.3627 0.96138E+00 -0.0171 49 FeO+ 0.60145E-12 -12.2208 0.57824E-12 -12.2379 0.96141E+00 -0.0171 50 FeOH+2 0.92815E-17 -17.0324 0.83656E-17 -17.0775 0.90132E+00 -0.0451 51 FeO2- 0.21445E-10 -10.6687 0.20617E-10 -10.6858 0.96138E+00 -0.0171 52 HFeO2,aq 0.19864E-09 -9.7019 0.19864E-09 -9.7019 0.10000E+01 0.0000 53 H2,aq 0.67570E-08 -8.1702 0.67565E-08 -8.1703 0.99992E+00 0.0000 54 KCl,aq 0.18149E-11 -11.7411 0.18149E-11 -11.7411 0.10000E+01 0.0000 55 KHSO4,aq 0.36685E-17 -17.4355 0.36685E-17 -17.4355 0.10000E+01 0.0000 56 KOH,aq 0.42560E-11 -11.3710 0.42560E-11 -11.3710 0.10000E+01 0.0000 57 KSO4- 0.27645E-09 -9.5584 0.26577E-09 -9.5755 0.96138E+00 -0.0171 58 MgCO3,aq 0.10355E-09 -9.9849 0.10355E-09 -9.9849 0.10000E+01 0.0000 59 Mg(HCO3)+ 0.77522E-09 -9.1106 0.74531E-09 -9.1277 0.96141E+00 -0.0171 60 MgCl+ 0.53268E-09 -9.2735 0.51212E-09 -9.2906 0.96141E+00 -0.0171 61 MgOH+ 0.14254E-07 -7.8461 0.13704E-07 -7.8632 0.96141E+00 -0.0171 63 MnO,aq 0.99916E-11 -11.0004 0.99916E-11 -11.0004 0.10000E+01 0.0000 64 MnOH+ 0.22989E-08 -8.6385 0.22102E-08 -8.6556 0.96141E+00 -0.0171 65 MnO2-2 0.64095E-19 -19.1932 0.57778E-19 -19.2382 0.90144E+00 -0.0451 66 HMnO2- 0.99747E-15 -15.0011 0.95895E-15 -15.0182 0.96138E+00 -0.0171 69 MnCl+ 0.47040E-10 -10.3275 0.45225E-10 -10.3446 0.96141E+00 -0.0171 70 MnSO4,aq 0.36264E-09 -9.4405 0.36264E-09 -9.4405 0.10000E+01 0.0000 71 NaCl,aq 0.69601E-08 -8.1574 0.69601E-08 -8.1574 0.10000E+01 0.0000 72 NaOH,aq 0.89804E-09 -9.0467 0.89804E-09 -9.0467 0.10000E+01 0.0000 74 OH- 0.79334E-05 -5.1005 0.76267E-05 -5.1177 0.96135E+00 -0.0171 79 HPO3-2 0.19954E-18 -18.7000 0.17987E-18 -18.7450 0.90144E+00 -0.0451 81 H2PO3- 0.28423E-19 -19.5463 0.27325E-19 -19.5634 0.96138E+00 -0.0171 82 H3PO4,aq 0.34290E-12 -12.4648 0.34290E-12 -12.4648 0.10000E+01 0.0000 83 H2PO4- 0.12418E-07 -7.9059 0.11939E-07 -7.9230 0.96140E+00 -0.0171 84 PO4-3 0.11355E-12 -12.9448 0.92006E-13 -13.0362 0.81029E+00 -0.0914 87 H2P2O7-2 0.12398E-16 -16.9066 0.11176E-16 -16.9517 0.90144E+00 -0.0451 88 HP2O7-3 0.36388E-16 -16.4390 0.29457E-16 -16.5308 0.80953E+00 -0.0918 89 P2O7-4 0.13331E-18 -18.8751 0.92893E-19 -19.0320 0.69680E+00 -0.1569 90 H2S,aq 0.39776E-07 -7.4004 0.39772E-07 -7.4004 0.99992E+00 0.0000 91 S2-2 0.10498E-15 -15.9789 0.94633E-16 -16.0240 0.90144E+00 -0.0451 96 SO2,aq 0.39285E-17 -17.4058 0.39285E-17 -17.4058 0.10000E+01 0.0000 97 SO3-2 0.22090E-13 -13.6558 0.19918E-13 -13.7008 0.90169E+00 -0.0449 98 HSO3- 0.98272E-13 -13.0076 0.94477E-13 -13.0247 0.96138E+00 -0.0171 99 HSO4- 0.17227E-08 -8.7638 0.16562E-08 -8.7809 0.96143E+00 -0.0171 101 S2O3-2 0.11758E-13 -13.9297 0.10599E-13 -13.9747 0.90144E+00 -0.0451 102 HS2O3- 0.14933E-18 -18.8258 0.14356E-18 -18.8430 0.96138E+00 -0.0171 Charge balance for all species = 0.7000E-15 Component Molality Aq.molality ppm log[A(N)/A(H+)**Z] (total) 1 H+ 0.7879095E-07 -.9130019E-05 -.9202379E-02 0.0000 2 H2O 0.1000000E+01 0.5550826E+02 0.9999835E+06 0.0000 3 Cl- 0.1379631E-03 0.1379744E-03 0.4891535E+01 3.2432 4 SO4-- 0.2516504E-04 0.2528638E-04 0.2429015E+01 9.5969 5 HCO3- 0.1129055E-04 0.1307002E-04 0.7974845E+00 2.1562 6 HS- 0.1766932E-06 0.2181306E-06 0.7213911E-02 0.3507 7 Al+++ 0.4015396E-18 0.6359275E-06 0.1715803E-01 2.8737 8 H4SiO4 0.3803825E-04 0.3852735E-04 0.3703019E+01 -4.4198 9 Ca++ 0.1857822E-04 0.1872661E-04 0.7505145E+00 9.4651 10 Mg++ 0.2920810E-05 0.2936512E-05 0.7139145E-01 8.6615 11 Fe++ 0.5145582E-07 0.7277269E-07 0.4064078E-02 6.9075 12 K+ 0.7852812E-06 0.7855637E-06 0.3071667E-01 0.9985 13 Na+ 0.1647066E-03 0.1647156E-03 0.3786725E+01 3.3202 14 Mn++ 0.6143434E-07 0.6415290E-07 0.3524381E-02 6.9844 15 HPO4-- 0.9476513E-08 0.2189506E-07 0.2101436E-02 6.1728 Component Tot moles Aq. moles Solid moles Gas moles 1 H+ -.4822651E-04 -.9130006E-05 -.3909650E-04 0.0000000E+00 2 H2O 0.5550820E+02 0.5550818E+02 0.2542299E-04 0.0000000E+00 3 Cl- 0.1379742E-03 0.1379742E-03 0.0000000E+00 0.0000000E+00 4 SO4-- 0.2560701E-04 0.2528634E-04 0.3206699E-06 0.0000000E+00 5 HCO3- 0.1307000E-04 0.1307000E-04 0.0000000E+00 0.0000000E+00 6 HS- -.1025396E-06 0.2181303E-06 -.3206699E-06 0.0000000E+00 7 Al+++ 0.1206474E-04 0.6359266E-06 0.1142882E-04 0.0000000E+00 8 H4SiO4 0.3852730E-04 0.3852730E-04 0.0000000E+00 0.0000000E+00 9 Ca++ 0.1872659E-04 0.1872659E-04 0.0000000E+00 0.0000000E+00 10 Mg++ 0.2936508E-05 0.2936508E-05 0.0000000E+00 0.0000000E+00 11 Fe++ 0.2638132E-05 0.7277259E-07 0.2565359E-05 0.0000000E+00 12 K+ 0.7855626E-06 0.7855626E-06 0.0000000E+00 0.0000000E+00 13 Na+ 0.1647154E-03 0.1647154E-03 0.0000000E+00 0.0000000E+00 14 Mn++ 0.6415281E-07 0.6415281E-07 0.0000000E+00 0.0000000E+00 15 HPO4-- 0.2189503E-07 0.2189503E-07 0.0000000E+00 0.0000000E+00 Chg. balance for solid moles: 0.2541E-20 Mass of aqueous solution: 0.100001E+04 g Temperature = 100.00 C Pressure = 50.00 bar Mixer frac. = 0.0037000 Log Log Vol Gas or mineral Moles Moles Grams Grams Wt.% (cm3) diaspore 0.1143E-04 -4.942 0.6856E-03 -3.164 77.00 0.2041E-03 hematite 0.1283E-05 -5.892 0.2048E-03 -3.689 23.00 0.3883E-04 Partial press. Fugacity coef Log fugacity Gas or Mineral Mole fraction or activity Activity coef Log activity diaspore 0.1000E+01 0.1000E+01 1.0000 0.000 hematite 0.1000E+01 0.1000E+01 1.0000 0.000 Solid products produced: Mass = 0.000890 g Volume = 0.000243 cm3 Porosity: 99.9757% V(tot) - V(min): 0.10012E+01 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: 0.0037000 g log = -2.4318 Original solution: 1000.0102895 g Original solution / Rock added: 270273.05 (Water/Rock Ratio), log = 5.4318 Gas composition at saturation ( 2 iterations) ------------------------------------------------- Temperature: 100.0000 deg.C Sat. pressure: 1.0205 bar Gas Mole fraction phi Fugacity Partial P(bar) H2O,gas 0.9998E+00 0.9860 0.1006E+01 0.1020E+01 CO2,gas 0.1829E-03 1.0071 0.1880E-03 0.1867E-03 CH4,gas 0.1125E-09 1.0125 0.1162E-09 0.1148E-09 H2,gas 0.8688E-05 1.0005 0.8870E-05 0.8866E-05 H2S,gas 0.1076E-05 0.9960 0.1093E-05 0.1098E-05 S2,gas 0.5588E-21 1.0000 0.5702E-21 0.5702E-21 CO,gas 0.4355E-12 1.0000 0.4444E-12 0.4444E-12 SO3,gas 0.4824E-34 1.0000 0.4923E-34 0.4923E-34 SO2,gas 0.1665E-16 1.0000 0.1699E-16 0.1699E-16 HCl,gas 0.3184E-14 1.0000 0.3249E-14 0.3249E-14 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 65 diaspore 2.87 2.87 0.00 0.000 0.30331E-11 90 hematite 12.57 12.57 0.00 0.000 0.30331E-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 -1.696 0.28965E+04 0.003 2 CO2,gas -6.66 -12.08 -5.42 -1.808 0.92628E+04 -3.726 3 CH4,gas 4.54 -7.09 -11.63 -2.908 0.19864E+05 -9.935 4 H2,gas 8.00 1.25 -6.75 -3.858 0.11527E+05 -5.052 5 H2S,gas -6.23 -13.89 -7.66 -3.830 0.13080E+05 -5.961 6 S2,gas -7.34 -30.28 -22.94 -3.530 0.39174E+05 -21.244 7 CO,gas 3.21 -10.84 -14.05 -4.323 0.23992E+05 -12.352 8 SO3,gas 17.12 -18.89 -36.01 -9.002 0.61481E+05 -34.308 9 SO2,gas 0.83 -17.64 -18.47 -4.925 0.31535E+05 -16.770 10 HCl,gas 5.19 -11.00 -16.19 -8.094 0.27639E+05 -14.488 21 andalusite 5.00 1.33 -3.67 -0.367 0.62731E+04 24 anhydrite -5.32 -9.42 -4.10 -2.052 0.70067E+04 32 apatite-OH -18.15 -19.60 -1.45 -0.112 0.24756E+04 35 aragonite 0.97 -2.62 -3.59 -1.195 0.61237E+04 36 brucite 12.57 8.66 -3.91 -0.781 0.66712E+04 37 calcite 0.81 -2.62 -3.43 -1.144 0.58595E+04 40 carpholite-Mg 8.58 5.57 -3.01 -0.201 0.51442E+04 41 carpholite-Fe 6.71 3.82 -2.90 -0.193 0.49471E+04 46 clinochlore 39.07 35.80 -3.27 -0.102 0.55900E+04 47 daphnite 28.97 27.03 -1.94 -0.061 0.33123E+04 50 chloritoid-Mg 13.20 9.99 -3.21 -0.214 0.54785E+04 51 chloritoid-Fe 9.17 8.24 -0.94 -0.063 0.16025E+04 52 chloritoid-Mn 11.40 8.31 -3.09 -0.206 0.52744E+04 54 coesite -2.38 -4.42 -2.04 -0.681 0.34896E+04 59 corundum 8.38 5.75 -2.64 -0.240 0.45004E+04 61 cristobalite -2.56 -4.42 -1.86 -0.620 0.31749E+04 78 fayalite 14.05 9.40 -4.65 -0.664 0.79408E+04 83 gibbsite 4.08 2.87 -1.21 -0.172 0.20585E+04 87 greenalite 16.14 11.88 -4.26 -0.355 0.72682E+04 92 hercynite 17.28 12.65 -4.62 -0.308 0.78948E+04 98 kaolinite -1.33 -3.09 -1.76 -0.160 0.30041E+04 99 kyanite 4.88 1.33 -3.55 -0.355 0.60590E+04 102 lawsonite 9.62 6.37 -3.24 -0.216 0.55376E+04 106 magnesite 0.69 -3.42 -4.11 -1.371 0.70246E+04 107 magnetite 20.09 19.47 -0.61 -0.050 0.10480E+04 110 magnesioferrite 26.21 21.23 -4.98 -0.407 0.85112E+04 128 periclase-Fe 11.63 6.91 -4.72 -1.180 0.80578E+04 142 pyrite -21.25 -22.12 -0.88 -0.206 0.14945E+04 143 pyrrhotite -4.26 -6.98 -2.72 -0.908 0.46489E+04 144 pyrrhotiteFe0.875 -6.02 -8.00 -1.98 -0.730 0.33882E+04 145 pyroxmangite 7.40 2.56 -4.83 -0.967 0.82540E+04 147 quartz -2.99 -4.42 -1.43 -0.477 0.24423E+04 151 rhodochrosite -0.98 -5.10 -4.12 -1.375 0.70419E+04 152 rhodonite 7.45 2.56 -4.88 -0.976 0.83342E+04 155 siderite -2.61 -5.18 -2.57 -0.856 0.43871E+04 156 sillimanite 5.26 1.33 -3.93 -0.393 0.67170E+04 177 topaz-H 4.62 1.33 -3.29 -0.299 0.56191E+04 178 tridymite -2.63 -4.42 -1.79 -0.598 0.30623E+04 181 troilite-low -4.41 -6.98 -2.57 -0.857 0.43917E+04 192 akaganeite 7.75 6.28 -1.47 -0.318 0.25125E+04 199 chalcedony -2.80 -4.42 -1.62 -0.539 0.27616E+04 205 nontronite-Ca 3.21 -1.14 -4.36 -0.283 0.74427E+04 208 nontronite-Mg 3.07 -1.28 -4.35 -0.282 0.74302E+04 214 gypsum -4.96 -9.42 -4.47 -1.116 0.76243E+04 233 boehmite 4.41 2.87 -1.53 -0.255 0.26169E+04 235 ferrous-oxide 9.81 6.91 -2.90 -0.726 0.49587E+04 240 silica-amorphous -2.09 -4.42 -2.33 -0.776 0.39757E+04 Calculations done for 100.0000 Deg. C; 50.0000 bar Next reactant titration increment of: 0.0001000 g Current total amount of reactant added: 0.0037000 g New total amount of reactant added: 0.0038000 g Solids and gases carried Charge balance check after fractionation or titration: TBAL = 0.7000E-15 ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ 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 = 0.0038000 Water: Moles liquid = 0.5551E+02 kg liquid = 0.1000E+01 Moles total = 0.5551E+02 kg total = 0.1000E+01 Activity = 1.0000 Stoichiometric ionic strength = .2560428E-03 Osmotic coef. = 0.9903 True ionic strength = .2563634E-03 Chg. balance for total moles = 0.7000E-15 Max. difference allowed = 0.1380E-07 Log Log Log Species(n) Molality Molality Activity Activity Gamma Gamma 1 H+ 0.75114E-07 -7.1243 0.72219E-07 -7.1413 0.96146E+00 -0.0171 2 H2O 0.10000E+01 0.0000 0.10000E+01 0.0000 3 Cl- 0.13796E-03 -3.8602 0.13263E-03 -3.8774 0.96135E+00 -0.0171 4 SO4-- 0.25158E-04 -4.5993 0.22676E-04 -4.6444 0.90137E+00 -0.0451 5 HCO3- 0.11361E-04 -4.9446 0.10922E-04 -4.9617 0.96138E+00 -0.0171 6 HS- 0.18376E-06 -6.7358 0.17665E-06 -6.7529 0.96135E+00 -0.0171 7 Al+++ 0.34796E-18 -18.4585 0.28161E-18 -18.5504 0.80931E+00 -0.0919 8 H4SiO4 0.39042E-04 -4.4085 0.39042E-04 -4.4085 0.10000E+01 0.0000 9 Ca++ 0.18691E-04 -4.7284 0.16846E-04 -4.7735 0.90125E+00 -0.0452 10 Mg++ 0.29990E-05 -5.5230 0.27026E-05 -5.5682 0.90117E+00 -0.0452 11 Fe++ 0.47281E-07 -7.3253 0.42609E-07 -7.3705 0.90119E+00 -0.0452 12 K+ 0.80650E-06 -6.0934 0.77536E-06 -6.1105 0.96138E+00 -0.0171 13 Na+ 0.16483E-03 -3.7830 0.15846E-03 -3.8001 0.96135E+00 -0.0171 14 Mn++ 0.62984E-07 -7.2008 0.56761E-07 -7.2460 0.90120E+00 -0.0452 15 HPO4-- 0.99979E-08 -8.0001 0.90119E-08 -8.0452 0.90137E+00 -0.0451 16 HSiO3- 0.52508E-06 -6.2798 0.50479E-06 -6.2969 0.96135E+00 -0.0171 17 Ca(HSiO3)+ 0.20143E-09 -9.6959 0.19366E-09 -9.7130 0.96139E+00 -0.0171 18 Mg(HSiO3)+ 0.40219E-10 -10.3956 0.38666E-10 -10.4127 0.96139E+00 -0.0171 19 NaHSiO3,aq 0.12937E-08 -8.8882 0.12937E-08 -8.8882 0.10000E+01 0.0000 20 AlO+ 0.76406E-11 -11.1169 0.73455E-11 -11.1340 0.96139E+00 -0.0171 21 AlOH+2 0.29310E-14 -14.5330 0.26415E-14 -14.5782 0.90122E+00 -0.0452 22 HAlO2,aq 0.20256E-07 -7.6935 0.20256E-07 -7.6935 0.10000E+01 0.0000 23 AlO2- 0.64584E-06 -6.1899 0.62086E-06 -6.2070 0.96132E+00 -0.0171 24 CH4,aq 0.82659E-13 -13.0827 0.82652E-13 -13.0827 0.99992E+00 0.0000 29 CO,aq 0.29239E-15 -15.5340 0.29239E-15 -15.5340 0.10000E+01 0.0000 30 CO2,aq 0.16856E-05 -5.7732 0.16855E-05 -5.7733 0.99992E+00 0.0000 31 CO3-2 0.14656E-07 -7.8340 0.13210E-07 -7.8791 0.90134E+00 -0.0451 32 CaCO3,aq 0.27903E-08 -8.5543 0.27903E-08 -8.5543 0.10000E+01 0.0000 33 Ca(HCO3)+ 0.48853E-08 -8.3111 0.46966E-08 -8.3282 0.96139E+00 -0.0171 34 CaCl+ 0.37609E-08 -8.4247 0.36157E-08 -8.4418 0.96139E+00 -0.0171 35 CaCl2,aq 0.11393E-12 -12.9434 0.11393E-12 -12.9434 0.10000E+01 0.0000 36 CaOH+ 0.17292E-07 -7.7622 0.16624E-07 -7.7793 0.96139E+00 -0.0171 37 CaSO4,aq 0.12130E-06 -6.9161 0.12130E-06 -6.9161 0.10000E+01 0.0000 38 HCl,aq 0.17552E-11 -11.7557 0.17552E-11 -11.7557 0.10000E+01 0.0000 43 FeCl+ 0.93043E-11 -11.0313 0.89451E-11 -11.0484 0.96139E+00 -0.0171 44 FeCl2,aq 0.37562E-19 -19.4253 0.37562E-19 -19.4253 0.10000E+01 0.0000 46 FeO,aq 0.31752E-09 -9.4982 0.31752E-09 -9.4982 0.10000E+01 0.0000 47 FeOH+ 0.19977E-07 -7.6995 0.19205E-07 -7.7166 0.96139E+00 -0.0171 48 HFeO2- 0.47852E-10 -10.3201 0.46002E-10 -10.3372 0.96135E+00 -0.0171 49 FeO+ 0.57338E-12 -12.2416 0.55124E-12 -12.2587 0.96139E+00 -0.0171 50 FeOH+2 0.84358E-17 -17.0739 0.76025E-17 -17.1190 0.90122E+00 -0.0452 51 FeO2- 0.22496E-10 -10.6479 0.21627E-10 -10.6650 0.96135E+00 -0.0171 52 HFeO2,aq 0.19864E-09 -9.7019 0.19864E-09 -9.7019 0.10000E+01 0.0000 53 H2,aq 0.69062E-08 -8.1608 0.69057E-08 -8.1608 0.99992E+00 0.0000 54 KCl,aq 0.18638E-11 -11.7296 0.18638E-11 -11.7296 0.10000E+01 0.0000 55 KHSO4,aq 0.35902E-17 -17.4449 0.35902E-17 -17.4449 0.10000E+01 0.0000 56 KOH,aq 0.45850E-11 -11.3387 0.45850E-11 -11.3387 0.10000E+01 0.0000 57 KSO4- 0.28381E-09 -9.5470 0.27284E-09 -9.5641 0.96135E+00 -0.0171 58 MgCO3,aq 0.11221E-09 -9.9500 0.11221E-09 -9.9500 0.10000E+01 0.0000 59 Mg(HCO3)+ 0.80087E-09 -9.0964 0.76994E-09 -9.1135 0.96139E+00 -0.0171 60 MgCl+ 0.54688E-09 -9.2621 0.52576E-09 -9.2792 0.96139E+00 -0.0171 61 MgOH+ 0.15351E-07 -7.8139 0.14758E-07 -7.8310 0.96139E+00 -0.0171 63 MnO,aq 0.11270E-10 -10.9481 0.11270E-10 -10.9481 0.10000E+01 0.0000 64 MnOH+ 0.24721E-08 -8.6069 0.23766E-08 -8.6240 0.96139E+00 -0.0171 65 MnO2-2 0.79566E-19 -19.0993 0.71715E-19 -19.1444 0.90134E+00 -0.0451 66 HMnO2- 0.11803E-14 -14.9280 0.11347E-14 -14.9451 0.96135E+00 -0.0171 69 MnCl+ 0.48220E-10 -10.3168 0.46359E-10 -10.3339 0.96139E+00 -0.0171 70 MnSO4,aq 0.37159E-09 -9.4299 0.37159E-09 -9.4299 0.10000E+01 0.0000 71 NaCl,aq 0.69650E-08 -8.1571 0.69650E-08 -8.1571 0.10000E+01 0.0000 72 NaOH,aq 0.94273E-09 -9.0256 0.94273E-09 -9.0256 0.10000E+01 0.0000 74 OH- 0.83222E-05 -5.0798 0.80003E-05 -5.0969 0.96132E+00 -0.0171 79 HPO3-2 0.21517E-18 -18.6672 0.19394E-18 -18.7123 0.90134E+00 -0.0451 81 H2PO3- 0.29216E-19 -19.5344 0.28086E-19 -19.5515 0.96135E+00 -0.0171 82 H3PO4,aq 0.32873E-12 -12.4832 0.32873E-12 -12.4832 0.10000E+01 0.0000 83 H2PO4- 0.12488E-07 -7.9035 0.12006E-07 -7.9206 0.96137E+00 -0.0171 84 PO4-3 0.12568E-12 -12.9007 0.10181E-12 -12.9922 0.81008E+00 -0.0915 87 H2P2O7-2 0.12540E-16 -16.9017 0.11302E-16 -16.9468 0.90134E+00 -0.0451 88 HP2O7-3 0.38612E-16 -16.4133 0.31250E-16 -16.5052 0.80932E+00 -0.0919 89 P2O7-4 0.14842E-18 -18.8285 0.10337E-18 -18.9856 0.69647E+00 -0.1571 90 H2S,aq 0.39432E-07 -7.4041 0.39429E-07 -7.4042 0.99992E+00 0.0000 91 S2-2 0.11109E-15 -15.9543 0.10013E-15 -15.9994 0.90134E+00 -0.0451 96 SO2,aq 0.36475E-17 -17.4380 0.36475E-17 -17.4380 0.10000E+01 0.0000 97 SO3-2 0.22571E-13 -13.6464 0.20350E-13 -13.6914 0.90159E+00 -0.0450 98 HSO3- 0.95716E-13 -13.0190 0.92017E-13 -13.0361 0.96135E+00 -0.0171 99 HSO4- 0.16416E-08 -8.7847 0.15782E-08 -8.8018 0.96140E+00 -0.0171 101 S2O3-2 0.11653E-13 -13.9336 0.10503E-13 -13.9787 0.90134E+00 -0.0451 102 HS2O3- 0.14108E-18 -18.8505 0.13562E-18 -18.8677 0.96135E+00 -0.0171 Charge balance for all species = 0.7000E-15 Component Molality Aq.molality ppm log[A(N)/A(H+)**Z] (total) 1 H+ 0.7511355E-07 -.9755274E-05 -.9832588E-02 0.0000 2 H2O 0.1000000E+01 0.5550826E+02 0.9999834E+06 0.0000 3 Cl- 0.1379630E-03 0.1379744E-03 0.4891535E+01 3.2640 4 SO4-- 0.2515772E-04 0.2527962E-04 0.2428366E+01 9.6383 5 HCO3- 0.1136116E-04 0.1307002E-04 0.7974844E+00 2.1797 6 HS- 0.1837553E-06 0.2248867E-06 0.7437345E-02 0.3885 7 Al+++ 0.3479604E-18 0.6661061E-06 0.1797228E-01 2.8737 8 H4SiO4 0.3904202E-04 0.3956863E-04 0.3803100E+01 -4.4085 9 Ca++ 0.1869140E-04 0.1884163E-04 0.7551239E+00 9.5092 10 Mg++ 0.2999026E-05 0.3015877E-05 0.7332095E-01 8.7145 11 Fe++ 0.4728115E-07 0.6785407E-07 0.3789391E-02 6.9122 12 K+ 0.8065050E-06 0.8067952E-06 0.3154685E-01 1.0309 13 Na+ 0.1648320E-03 0.1648412E-03 0.3789610E+01 3.3413 14 Mn++ 0.6298358E-07 0.6588676E-07 0.3619634E-02 7.0367 15 HPO4-- 0.9997926E-08 0.2248682E-07 0.2158232E-02 6.2375 Component Tot moles Aq. moles Solid moles Gas moles 1 H+ -.4988236E-04 -.9755259E-05 -.4012710E-04 0.0000000E+00 2 H2O 0.5550820E+02 0.5550818E+02 0.2609100E-04 0.0000000E+00 3 Cl- 0.1379742E-03 0.1379742E-03 0.0000000E+00 0.0000000E+00 4 SO4-- 0.2560978E-04 0.2527958E-04 0.3301973E-06 0.0000000E+00 5 HCO3- 0.1307000E-04 0.1307000E-04 0.0000000E+00 0.0000000E+00 6 HS- -.1053110E-06 0.2248864E-06 -.3301973E-06 0.0000000E+00 7 Al+++ 0.1239082E-04 0.6661051E-06 0.1172471E-04 0.0000000E+00 8 H4SiO4 0.3956858E-04 0.3956858E-04 0.0000000E+00 0.0000000E+00 9 Ca++ 0.1884160E-04 0.1884160E-04 0.0000000E+00 0.0000000E+00 10 Mg++ 0.3015873E-05 0.3015873E-05 0.0000000E+00 0.0000000E+00 11 Fe++ 0.2709433E-05 0.6785397E-07 0.2641579E-05 0.0000000E+00 12 K+ 0.8067941E-06 0.8067941E-06 0.0000000E+00 0.0000000E+00 13 Na+ 0.1648409E-03 0.1648409E-03 0.0000000E+00 0.0000000E+00 14 Mn++ 0.6588666E-07 0.6588666E-07 0.0000000E+00 0.0000000E+00 15 HPO4-- 0.2248679E-07 0.2248679E-07 0.0000000E+00 0.0000000E+00 Chg. balance for solid moles: 0.3388E-20 Mass of aqueous solution: 0.100001E+04 g Temperature = 100.00 C Pressure = 50.00 bar Mixer frac. = 0.0038000 Log Log Vol Gas or mineral Moles Moles Grams Grams Wt.% (cm3) diaspore 0.1172E-04 -4.931 0.7034E-03 -3.153 76.93 0.2094E-03 hematite 0.1321E-05 -5.879 0.2109E-03 -3.676 23.07 0.3998E-04 Partial press. Fugacity coef Log fugacity Gas or Mineral Mole fraction or activity Activity coef Log activity diaspore 0.1000E+01 0.1000E+01 1.0000 0.000 hematite 0.1000E+01 0.1000E+01 1.0000 0.000 Solid products produced: Mass = 0.000914 g Volume = 0.000249 cm3 Porosity: 99.9751% V(tot) - V(min): 0.10013E+01 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: 0.0038000 g log = -2.4202 Original solution: 1000.0102895 g Original solution / Rock added: 263160.60 (Water/Rock Ratio), log = 5.4202 Gas composition at saturation ( 2 iterations) ------------------------------------------------- Temperature: 100.0000 deg.C Sat. pressure: 1.0205 bar Gas Mole fraction phi Fugacity Partial P(bar) H2O,gas 0.9998E+00 0.9860 0.1006E+01 0.1020E+01 CO2,gas 0.1755E-03 1.0071 0.1803E-03 0.1791E-03 CH4,gas 0.1177E-09 1.0125 0.1217E-09 0.1202E-09 H2,gas 0.8880E-05 1.0005 0.9066E-05 0.9061E-05 H2S,gas 0.1066E-05 0.9960 0.1084E-05 0.1088E-05 S2,gas 0.5257E-21 1.0000 0.5365E-21 0.5365E-21 CO,gas 0.4270E-12 1.0000 0.4357E-12 0.4357E-12 SO3,gas 0.4382E-34 1.0000 0.4472E-34 0.4472E-34 SO2,gas 0.1546E-16 1.0000 0.1577E-16 0.1577E-16 HCl,gas 0.3035E-14 1.0000 0.3097E-14 0.3097E-14 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 65 diaspore 2.87 2.87 0.00 0.000 -0.30331E-11 90 hematite 12.57 12.57 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 -1.696 0.28965E+04 0.003 2 CO2,gas -6.66 -12.10 -5.44 -1.814 0.92936E+04 -3.744 3 CH4,gas 4.54 -7.07 -11.61 -2.903 0.19830E+05 -9.915 4 H2,gas 8.00 1.26 -6.74 -3.852 0.11511E+05 -5.043 5 H2S,gas -6.23 -13.89 -7.66 -3.832 0.13086E+05 -5.965 6 S2,gas -7.34 -30.30 -22.97 -3.534 0.39220E+05 -21.270 7 CO,gas 3.21 -10.84 -14.06 -4.326 0.24007E+05 -12.361 8 SO3,gas 17.12 -18.93 -36.05 -9.012 0.61552E+05 -34.350 9 SO2,gas 0.83 -17.67 -18.50 -4.934 0.31590E+05 -16.802 10 HCl,gas 5.19 -11.02 -16.21 -8.104 0.27675E+05 -14.509 21 andalusite 5.00 1.34 -3.66 -0.366 0.62538E+04 24 anhydrite -5.32 -9.42 -4.10 -2.051 0.70026E+04 32 apatite-OH -18.15 -19.44 -1.28 -0.099 0.21928E+04 35 aragonite 0.97 -2.59 -3.56 -1.187 0.60792E+04 36 brucite 12.57 8.71 -3.85 -0.771 0.65807E+04 37 calcite 0.81 -2.59 -3.41 -1.135 0.58150E+04 40 carpholite-Mg 8.58 5.64 -2.94 -0.196 0.50151E+04 41 carpholite-Fe 6.71 3.84 -2.87 -0.191 0.49004E+04 46 clinochlore 39.07 36.09 -2.98 -0.093 0.50799E+04 47 daphnite 28.97 27.08 -1.88 -0.059 0.32139E+04 50 chloritoid-Mg 13.20 10.05 -3.14 -0.210 0.53688E+04 51 chloritoid-Fe 9.17 8.25 -0.92 -0.061 0.15751E+04 52 chloritoid-Mn 11.40 8.38 -3.03 -0.202 0.51658E+04 54 coesite -2.38 -4.41 -2.03 -0.677 0.34703E+04 59 corundum 8.38 5.75 -2.64 -0.240 0.45004E+04 61 cristobalite -2.56 -4.41 -1.85 -0.616 0.31556E+04 78 fayalite 14.05 9.42 -4.63 -0.661 0.79052E+04 83 gibbsite 4.08 2.87 -1.21 -0.172 0.20585E+04 87 greenalite 16.14 11.92 -4.22 -0.352 0.72052E+04 92 hercynite 17.28 12.66 -4.62 -0.308 0.78867E+04 98 kaolinite -1.33 -3.07 -1.74 -0.158 0.29655E+04 99 kyanite 4.88 1.34 -3.54 -0.354 0.60397E+04 102 lawsonite 9.62 6.44 -3.18 -0.212 0.54237E+04 106 magnesite 0.69 -3.39 -4.08 -1.360 0.69650E+04 107 magnetite 20.09 19.48 -0.61 -0.050 0.10399E+04 110 magnesioferrite 26.21 21.28 -4.93 -0.403 0.84208E+04 128 periclase-Fe 11.63 6.91 -4.71 -1.179 0.80497E+04 142 pyrite -21.25 -22.13 -0.89 -0.209 0.15155E+04 143 pyrrhotite -4.26 -6.98 -2.72 -0.907 0.46472E+04 144 pyrrhotiteFe0.875 -6.02 -8.00 -1.99 -0.730 0.33895E+04 145 pyroxmangite 7.40 2.63 -4.77 -0.954 0.81453E+04 147 quartz -2.99 -4.41 -1.42 -0.473 0.24230E+04 151 rhodochrosite -0.98 -5.07 -4.09 -1.363 0.69835E+04 152 rhodonite 7.45 2.63 -4.82 -0.963 0.82256E+04 155 siderite -2.61 -5.19 -2.58 -0.861 0.44099E+04 156 sillimanite 5.26 1.34 -3.92 -0.392 0.66977E+04 177 topaz-H 4.62 1.34 -3.28 -0.298 0.55998E+04 178 tridymite -2.63 -4.41 -1.78 -0.594 0.30429E+04 181 troilite-low -4.41 -6.98 -2.57 -0.857 0.43900E+04 192 akaganeite 7.75 6.28 -1.47 -0.318 0.25125E+04 199 chalcedony -2.80 -4.41 -1.61 -0.535 0.27423E+04 205 nontronite-Ca 3.21 -1.10 -4.31 -0.280 0.73594E+04 208 nontronite-Mg 3.07 -1.23 -4.30 -0.279 0.73444E+04 214 gypsum -4.96 -9.42 -4.46 -1.116 0.76202E+04 233 boehmite 4.41 2.87 -1.53 -0.255 0.26169E+04 235 ferrous-oxide 9.81 6.91 -2.90 -0.725 0.49506E+04 240 silica-amorphous -2.09 -4.41 -2.32 -0.772 0.39564E+04 Calculations done for 100.0000 Deg. C; 50.0000 bar Next reactant titration increment of: 0.0001000 g Current total amount of reactant added: 0.0038000 g New total amount of reactant added: 0.0039000 g Solids and gases carried Charge balance check after fractionation or titration: TBAL = 0.7001E-15 ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ 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 = 0.0039000 Water: Moles liquid = 0.5551E+02 kg liquid = 0.1000E+01 Moles total = 0.5551E+02 kg total = 0.1000E+01 Activity = 1.0000 Stoichiometric ionic strength = .2566280E-03 Osmotic coef. = 0.9903 True ionic strength = .2570699E-03 Chg. balance for total moles = 0.7001E-15 Max. difference allowed = 0.1380E-07 Log Log Log Species(n) Molality Molality Activity Activity Gamma Gamma 1 H+ 0.71730E-07 -7.1443 0.68964E-07 -7.1614 0.96143E+00 -0.0171 2 H2O 0.10000E+01 0.0000 0.10000E+01 0.0000 3 Cl- 0.13796E-03 -3.8602 0.13263E-03 -3.8774 0.96132E+00 -0.0171 4 SO4-- 0.25150E-04 -4.5995 0.22667E-04 -4.6446 0.90127E+00 -0.0451 5 HCO3- 0.11427E-04 -4.9421 0.10985E-04 -4.9592 0.96135E+00 -0.0171 6 HS- 0.19075E-06 -6.7195 0.18338E-06 -6.7367 0.96133E+00 -0.0171 7 Al+++ 0.30308E-18 -18.5184 0.24522E-18 -18.6104 0.80910E+00 -0.0920 8 H4SiO4 0.40044E-04 -4.3975 0.40044E-04 -4.3975 0.10000E+01 0.0000 9 Ca++ 0.18805E-04 -4.7257 0.16946E-04 -4.7709 0.90114E+00 -0.0452 10 Mg++ 0.30772E-05 -5.5118 0.27728E-05 -5.5571 0.90107E+00 -0.0452 11 Fe++ 0.43574E-07 -7.3608 0.39264E-07 -7.4060 0.90108E+00 -0.0452 12 K+ 0.82773E-06 -6.0821 0.79574E-06 -6.0992 0.96136E+00 -0.0171 13 Na+ 0.16496E-03 -3.7826 0.15858E-03 -3.7998 0.96132E+00 -0.0171 14 Mn++ 0.64526E-07 -7.1903 0.58144E-07 -7.2355 0.90110E+00 -0.0452 15 HPO4-- 0.10525E-07 -7.9778 0.94859E-08 -8.0229 0.90127E+00 -0.0451 16 HSiO3- 0.56400E-06 -6.2487 0.54218E-06 -6.2659 0.96132E+00 -0.0171 17 Ca(HSiO3)+ 0.21765E-09 -9.6622 0.20924E-09 -9.6794 0.96136E+00 -0.0171 18 Mg(HSiO3)+ 0.44321E-10 -10.3534 0.42608E-10 -10.3705 0.96136E+00 -0.0171 19 NaHSiO3,aq 0.13906E-08 -8.8568 0.13906E-08 -8.8568 0.10000E+01 0.0000 20 AlO+ 0.72964E-11 -11.1369 0.70144E-11 -11.1540 0.96136E+00 -0.0171 21 AlOH+2 0.26731E-14 -14.5730 0.24087E-14 -14.6182 0.90111E+00 -0.0452 22 HAlO2,aq 0.20256E-07 -7.6935 0.20256E-07 -7.6935 0.10000E+01 0.0000 23 AlO2- 0.67635E-06 -6.1698 0.65017E-06 -6.1870 0.96129E+00 -0.0171 24 CH4,aq 0.86333E-13 -13.0638 0.86326E-13 -13.0639 0.99992E+00 0.0000 29 CO,aq 0.28677E-15 -15.5425 0.28677E-15 -15.5425 0.10000E+01 0.0000 30 CO2,aq 0.16189E-05 -5.7908 0.16188E-05 -5.7908 0.99992E+00 0.0000 31 CO3-2 0.15438E-07 -7.8114 0.13913E-07 -7.8566 0.90123E+00 -0.0452 32 CaCO3,aq 0.29563E-08 -8.5293 0.29563E-08 -8.5293 0.10000E+01 0.0000 33 Ca(HCO3)+ 0.49427E-08 -8.3060 0.47517E-08 -8.3232 0.96136E+00 -0.0171 34 CaCl+ 0.37833E-08 -8.4221 0.36371E-08 -8.4392 0.96136E+00 -0.0171 35 CaCl2,aq 0.11460E-12 -12.9408 0.11460E-12 -12.9408 0.10000E+01 0.0000 36 CaOH+ 0.18216E-07 -7.7395 0.17512E-07 -7.7567 0.96136E+00 -0.0171 37 CaSO4,aq 0.12197E-06 -6.9137 0.12197E-06 -6.9137 0.10000E+01 0.0000 38 HCl,aq 0.16760E-11 -11.7757 0.16760E-11 -11.7757 0.10000E+01 0.0000 43 FeCl+ 0.85739E-11 -11.0668 0.82426E-11 -11.0839 0.96136E+00 -0.0171 44 FeCl2,aq 0.34611E-19 -19.4608 0.34611E-19 -19.4608 0.10000E+01 0.0000 46 FeO,aq 0.32086E-09 -9.4937 0.32086E-09 -9.4937 0.10000E+01 0.0000 47 FeOH+ 0.19278E-07 -7.7149 0.18533E-07 -7.7321 0.96136E+00 -0.0171 48 HFeO2- 0.50640E-10 -10.2955 0.48681E-10 -10.3126 0.96132E+00 -0.0171 49 FeO+ 0.54755E-12 -12.2616 0.52639E-12 -12.2787 0.96136E+00 -0.0171 50 FeOH+2 0.76933E-17 -17.1139 0.69326E-17 -17.1591 0.90111E+00 -0.0452 51 FeO2- 0.23559E-10 -10.6279 0.22647E-10 -10.6450 0.96132E+00 -0.0171 52 HFeO2,aq 0.19864E-09 -9.7019 0.19864E-09 -9.7019 0.10000E+01 0.0000 53 H2,aq 0.70526E-08 -8.1517 0.70520E-08 -8.1517 0.99992E+00 0.0000 54 KCl,aq 0.19128E-11 -11.7183 0.19128E-11 -11.7183 0.10000E+01 0.0000 55 KHSO4,aq 0.35170E-17 -17.4538 0.35170E-17 -17.4538 0.10000E+01 0.0000 56 KOH,aq 0.49276E-11 -11.3074 0.49276E-11 -11.3074 0.10000E+01 0.0000 57 KSO4- 0.29116E-09 -9.5359 0.27990E-09 -9.5530 0.96132E+00 -0.0171 58 MgCO3,aq 0.12125E-09 -9.9163 0.12125E-09 -9.9163 0.10000E+01 0.0000 59 Mg(HCO3)+ 0.82640E-09 -9.0828 0.79446E-09 -9.0999 0.96136E+00 -0.0171 60 MgCl+ 0.56107E-09 -9.2510 0.53939E-09 -9.2681 0.96136E+00 -0.0171 61 MgOH+ 0.16493E-07 -7.7827 0.15856E-07 -7.7998 0.96136E+00 -0.0171 63 MnO,aq 0.12661E-10 -10.8975 0.12661E-10 -10.8975 0.10000E+01 0.0000 64 MnOH+ 0.26520E-08 -8.5764 0.25495E-08 -8.5935 0.96136E+00 -0.0171 65 MnO2-2 0.98029E-19 -19.0086 0.88347E-19 -19.0538 0.90123E+00 -0.0452 66 HMnO2- 0.13885E-14 -14.8574 0.13348E-14 -14.8746 0.96132E+00 -0.0171 69 MnCl+ 0.49396E-10 -10.3063 0.47487E-10 -10.3234 0.96136E+00 -0.0171 70 MnSO4,aq 0.38049E-09 -9.4197 0.38049E-09 -9.4197 0.10000E+01 0.0000 71 NaCl,aq 0.69699E-08 -8.1568 0.69699E-08 -8.1568 0.10000E+01 0.0000 72 NaOH,aq 0.98795E-09 -9.0053 0.98795E-09 -9.0053 0.10000E+01 0.0000 74 OH- 0.87153E-05 -5.0597 0.83780E-05 -5.0769 0.96129E+00 -0.0171 79 HPO3-2 0.23131E-18 -18.6358 0.20847E-18 -18.6810 0.90123E+00 -0.0452 81 H2PO3- 0.29989E-19 -19.5230 0.28829E-19 -19.5402 0.96132E+00 -0.0171 82 H3PO4,aq 0.31553E-12 -12.5010 0.31553E-12 -12.5010 0.10000E+01 0.0000 83 H2PO4- 0.12553E-07 -7.9012 0.12068E-07 -7.9184 0.96134E+00 -0.0171 84 PO4-3 0.13857E-12 -12.8583 0.11223E-12 -12.9499 0.80987E+00 -0.0916 87 H2P2O7-2 0.12671E-16 -16.8972 0.11419E-16 -16.9424 0.90123E+00 -0.0452 88 HP2O7-3 0.40863E-16 -16.3887 0.33063E-16 -16.4807 0.80911E+00 -0.0920 89 P2O7-4 0.16452E-18 -18.7838 0.11453E-18 -18.9411 0.69615E+00 -0.1573 90 H2S,aq 0.39088E-07 -7.4080 0.39085E-07 -7.4080 0.99992E+00 0.0000 91 S2-2 0.11724E-15 -15.9309 0.10566E-15 -15.9761 0.90123E+00 -0.0452 96 SO2,aq 0.33952E-17 -17.4691 0.33952E-17 -17.4691 0.10000E+01 0.0000 97 SO3-2 0.23043E-13 -13.6375 0.20773E-13 -13.6825 0.90148E+00 -0.0450 98 HSO3- 0.93304E-13 -13.0301 0.89695E-13 -13.0472 0.96132E+00 -0.0171 99 HSO4- 0.15670E-08 -8.8049 0.15065E-08 -8.8220 0.96138E+00 -0.0171 101 S2O3-2 0.11548E-13 -13.9375 0.10407E-13 -13.9827 0.90123E+00 -0.0452 102 HS2O3- 0.13349E-18 -18.8745 0.12833E-18 -18.8917 0.96132E+00 -0.0171 Charge balance for all species = 0.7001E-15 Component Molality Aq.molality ppm log[A(N)/A(H+)**Z] (total) 1 H+ 0.7172986E-07 -.1038248E-04 -.1046476E-01 0.0000 2 H2O 0.1000000E+01 0.5550826E+02 0.9999833E+06 0.0000 3 Cl- 0.1379630E-03 0.1379744E-03 0.4891534E+01 3.2840 4 SO4-- 0.2515045E-04 0.2527293E-04 0.2427723E+01 9.6782 5 HCO3- 0.1142684E-04 0.1307002E-04 0.7974843E+00 2.2022 6 HS- 0.1907543E-06 0.2315779E-06 0.7658632E-02 0.4247 7 Al+++ 0.3030753E-18 0.6966110E-06 0.1879534E-01 2.8737 8 H4SiO4 0.4004426E-04 0.4060991E-04 0.3903181E+01 -4.3975 9 Ca++ 0.1880456E-04 0.1895664E-04 0.7597333E+00 9.5518 10 Mg++ 0.3077196E-05 0.3095243E-05 0.7525044E-01 8.7657 11 Fe++ 0.4357430E-07 0.6345483E-07 0.3543710E-02 6.9168 12 K+ 0.8277287E-06 0.8280267E-06 0.3237703E-01 1.0622 13 Na+ 0.1649574E-03 0.1649667E-03 0.3792496E+01 3.3616 14 Mn++ 0.6452612E-07 0.6762063E-07 0.3714888E-02 7.0873 15 HPO4-- 0.1052500E-07 0.2307858E-07 0.2215027E-02 6.2998 Component Tot moles Aq. moles Solid moles Gas moles 1 H+ -.5153821E-04 -.1038247E-04 -.4115574E-04 0.0000000E+00 2 H2O 0.5550820E+02 0.5550817E+02 0.2675784E-04 0.0000000E+00 3 Cl- 0.1379742E-03 0.1379742E-03 0.0000000E+00 0.0000000E+00 4 SO4-- 0.2561255E-04 0.2527289E-04 0.3396598E-06 0.0000000E+00 5 HCO3- 0.1307000E-04 0.1307000E-04 0.0000000E+00 0.0000000E+00 6 HS- -.1080823E-06 0.2315776E-06 -.3396598E-06 0.0000000E+00 7 Al+++ 0.1271689E-04 0.6966100E-06 0.1202028E-04 0.0000000E+00 8 H4SiO4 0.4060985E-04 0.4060985E-04 0.0000000E+00 0.0000000E+00 9 Ca++ 0.1895662E-04 0.1895662E-04 0.0000000E+00 0.0000000E+00 10 Mg++ 0.3095238E-05 0.3095238E-05 0.0000000E+00 0.0000000E+00 11 Fe++ 0.2780734E-05 0.6345474E-07 0.2717279E-05 0.0000000E+00 12 K+ 0.8280255E-06 0.8280255E-06 0.0000000E+00 0.0000000E+00 13 Na+ 0.1649665E-03 0.1649665E-03 0.0000000E+00 0.0000000E+00 14 Mn++ 0.6762052E-07 0.6762052E-07 0.0000000E+00 0.0000000E+00 15 HPO4-- 0.2307855E-07 0.2307855E-07 0.0000000E+00 0.0000000E+00 Chg. balance for solid moles: -.8470E-21 Mass of aqueous solution: 0.100001E+04 g Temperature = 100.00 C Pressure = 50.00 bar Mixer frac. = 0.0039000 Log Log Vol Gas or mineral Moles Moles Grams Grams Wt.% (cm3) diaspore 0.1202E-04 -4.920 0.7211E-03 -3.142 76.87 0.2147E-03 hematite 0.1359E-05 -5.867 0.2170E-03 -3.664 23.13 0.4112E-04 Partial press. Fugacity coef Log fugacity Gas or Mineral Mole fraction or activity Activity coef Log activity diaspore 0.1000E+01 0.1000E+01 1.0000 0.000 hematite 0.1000E+01 0.1000E+01 1.0000 0.000 Solid products produced: Mass = 0.000938 g Volume = 0.000256 cm3 Porosity: 99.9745% V(tot) - V(min): 0.10013E+01 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: 0.0039000 g log = -2.4089 Original solution: 1000.0102895 g Original solution / Rock added: 256412.89 (Water/Rock Ratio), log = 5.4089 Gas composition at saturation ( 2 iterations) ------------------------------------------------- Temperature: 100.0000 deg.C Sat. pressure: 1.0205 bar Gas Mole fraction phi Fugacity Partial P(bar) H2O,gas 0.9998E+00 0.9860 0.1006E+01 0.1020E+01 CO2,gas 0.1685E-03 1.0071 0.1732E-03 0.1720E-03 CH4,gas 0.1230E-09 1.0125 0.1271E-09 0.1255E-09 H2,gas 0.9068E-05 1.0005 0.9259E-05 0.9253E-05 H2S,gas 0.1057E-05 0.9960 0.1074E-05 0.1079E-05 S2,gas 0.4954E-21 1.0000 0.5055E-21 0.5055E-21 CO,gas 0.4188E-12 1.0000 0.4273E-12 0.4273E-12 SO3,gas 0.3994E-34 1.0000 0.4076E-34 0.4076E-34 SO2,gas 0.1439E-16 1.0000 0.1468E-16 0.1468E-16 HCl,gas 0.2898E-14 1.0000 0.2957E-14 0.2957E-14 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 65 diaspore 2.87 2.87 0.00 0.000 0.30331E-11 90 hematite 12.57 12.57 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 -1.696 0.28965E+04 0.003 2 CO2,gas -6.66 -12.12 -5.46 -1.820 0.93236E+04 -3.761 3 CH4,gas 4.54 -7.05 -11.59 -2.899 0.19798E+05 -9.896 4 H2,gas 8.00 1.27 -6.73 -3.847 0.11495E+05 -5.033 5 H2S,gas -6.23 -13.90 -7.67 -3.834 0.13093E+05 -5.969 6 S2,gas -7.34 -30.33 -23.00 -3.538 0.39264E+05 -21.296 7 CO,gas 3.21 -10.85 -14.07 -4.329 0.24021E+05 -12.369 8 SO3,gas 17.12 -18.97 -36.09 -9.022 0.61621E+05 -34.390 9 SO2,gas 0.83 -17.70 -18.53 -4.942 0.31643E+05 -16.833 10 HCl,gas 5.19 -11.04 -16.23 -8.114 0.27709E+05 -14.529 21 andalusite 5.00 1.35 -3.65 -0.365 0.62350E+04 24 anhydrite -5.32 -9.42 -4.10 -2.049 0.69985E+04 32 apatite-OH -18.15 -19.28 -1.12 -0.086 0.19200E+04 35 aragonite 0.97 -2.57 -3.54 -1.178 0.60364E+04 36 brucite 12.57 8.77 -3.80 -0.761 0.64933E+04 37 calcite 0.81 -2.57 -3.38 -1.127 0.57722E+04 40 carpholite-Mg 8.58 5.72 -2.86 -0.191 0.48901E+04 41 carpholite-Fe 6.71 3.87 -2.84 -0.190 0.48550E+04 46 clinochlore 39.07 36.38 -2.69 -0.084 0.45865E+04 47 daphnite 28.97 27.14 -1.83 -0.057 0.31186E+04 50 chloritoid-Mg 13.20 10.12 -3.08 -0.205 0.52626E+04 51 chloritoid-Fe 9.17 8.27 -0.91 -0.060 0.15486E+04 52 chloritoid-Mn 11.40 8.44 -2.96 -0.198 0.50607E+04 54 coesite -2.38 -4.40 -2.02 -0.674 0.34515E+04 59 corundum 8.38 5.75 -2.64 -0.240 0.45004E+04 61 cristobalite -2.56 -4.40 -1.84 -0.612 0.31368E+04 78 fayalite 14.05 9.44 -4.61 -0.659 0.78709E+04 83 gibbsite 4.08 2.87 -1.21 -0.172 0.20585E+04 87 greenalite 16.14 11.96 -4.18 -0.349 0.71443E+04 92 hercynite 17.28 12.66 -4.61 -0.308 0.78789E+04 98 kaolinite -1.33 -3.05 -1.71 -0.156 0.29279E+04 99 kyanite 4.88 1.35 -3.53 -0.353 0.60209E+04 102 lawsonite 9.62 6.50 -3.11 -0.207 0.53133E+04 106 magnesite 0.69 -3.35 -4.05 -1.348 0.69076E+04 107 magnetite 20.09 19.48 -0.60 -0.049 0.10321E+04 110 magnesioferrite 26.21 21.33 -4.88 -0.398 0.83334E+04 128 periclase-Fe 11.63 6.92 -4.71 -1.177 0.80419E+04 142 pyrite -21.25 -22.15 -0.90 -0.212 0.15362E+04 143 pyrrhotite -4.26 -6.98 -2.72 -0.907 0.46460E+04 144 pyrrhotiteFe0.875 -6.02 -8.00 -1.99 -0.730 0.33912E+04 145 pyroxmangite 7.40 2.69 -4.71 -0.942 0.80403E+04 147 quartz -2.99 -4.40 -1.41 -0.469 0.24042E+04 151 rhodochrosite -0.98 -5.03 -4.06 -1.352 0.69272E+04 152 rhodonite 7.45 2.69 -4.76 -0.951 0.81205E+04 155 siderite -2.61 -5.20 -2.60 -0.865 0.44320E+04 156 sillimanite 5.26 1.35 -3.91 -0.391 0.66789E+04 177 topaz-H 4.62 1.35 -3.27 -0.297 0.55810E+04 178 tridymite -2.63 -4.40 -1.77 -0.590 0.30241E+04 181 troilite-low -4.41 -6.98 -2.57 -0.857 0.43888E+04 192 akaganeite 7.75 6.28 -1.47 -0.318 0.25125E+04 199 chalcedony -2.80 -4.40 -1.60 -0.532 0.27235E+04 205 nontronite-Ca 3.21 -1.05 -4.26 -0.277 0.72784E+04 208 nontronite-Mg 3.07 -1.18 -4.25 -0.276 0.72610E+04 214 gypsum -4.96 -9.42 -4.46 -1.115 0.76161E+04 233 boehmite 4.41 2.87 -1.53 -0.255 0.26169E+04 235 ferrous-oxide 9.81 6.92 -2.89 -0.724 0.49428E+04 240 silica-amorphous -2.09 -4.40 -2.31 -0.769 0.39376E+04 Calculations done for 100.0000 Deg. C; 50.0000 bar Next reactant titration increment of: 0.0001000 g Current total amount of reactant added: 0.0039000 g New total amount of reactant added: 0.0040000 g Solids and gases carried Charge balance check after fractionation or titration: TBAL = 0.7001E-15 ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ 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 = 0.0040000 Water: Moles liquid = 0.5551E+02 kg liquid = 0.1000E+01 Moles total = 0.5551E+02 kg total = 0.1000E+01 Activity = 1.0000 Stoichiometric ionic strength = .2572155E-03 Osmotic coef. = 0.9903 True ionic strength = .2577778E-03 Chg. balance for total moles = 0.7001E-15 Max. difference allowed = 0.1380E-07 Log Log Log Species(n) Molality Molality Activity Activity Gamma Gamma 1 H+ 0.68610E-07 -7.1636 0.65962E-07 -7.1807 0.96141E+00 -0.0171 2 H2O 0.10000E+01 0.0000 0.10000E+01 0.0000 3 Cl- 0.13796E-03 -3.8602 0.13262E-03 -3.8774 0.96130E+00 -0.0171 4 SO4-- 0.25143E-04 -4.5996 0.22658E-04 -4.6448 0.90116E+00 -0.0452 5 HCO3- 0.11488E-04 -4.9398 0.11044E-04 -4.9569 0.96132E+00 -0.0171 6 HS- 0.19769E-06 -6.7040 0.19004E-06 -6.7211 0.96130E+00 -0.0171 7 Al+++ 0.26527E-18 -18.5763 0.21458E-18 -18.6684 0.80889E+00 -0.0921 8 H4SiO4 0.41045E-04 -4.3867 0.41045E-04 -4.3867 0.10000E+01 0.0000 9 Ca++ 0.18918E-04 -4.7231 0.17046E-04 -4.7684 0.90104E+00 -0.0453 10 Mg++ 0.31553E-05 -5.5010 0.28428E-05 -5.5463 0.90096E+00 -0.0453 11 Fe++ 0.40273E-07 -7.3950 0.36285E-07 -7.4403 0.90098E+00 -0.0453 12 K+ 0.84895E-06 -6.0711 0.81612E-06 -6.0882 0.96133E+00 -0.0171 13 Na+ 0.16508E-03 -3.7823 0.15869E-03 -3.7994 0.96129E+00 -0.0171 14 Mn++ 0.66062E-07 -7.1800 0.59521E-07 -7.2253 0.90099E+00 -0.0453 15 HPO4-- 0.11057E-07 -7.9564 0.99643E-08 -8.0016 0.90117E+00 -0.0452 16 HSiO3- 0.60441E-06 -6.2187 0.58102E-06 -6.2358 0.96130E+00 -0.0171 17 Ca(HSiO3)+ 0.23462E-09 -9.6296 0.22555E-09 -9.6468 0.96133E+00 -0.0171 18 Mg(HSiO3)+ 0.48697E-10 -10.3125 0.46814E-10 -10.3296 0.96133E+00 -0.0171 19 NaHSiO3,aq 0.14913E-08 -8.8264 0.14913E-08 -8.8264 0.10000E+01 0.0000 20 AlO+ 0.69790E-11 -11.1562 0.67092E-11 -11.1733 0.96133E+00 -0.0171 21 AlOH+2 0.24457E-14 -14.6116 0.22036E-14 -14.6569 0.90101E+00 -0.0453 22 HAlO2,aq 0.20256E-07 -7.6935 0.20256E-07 -7.6935 0.10000E+01 0.0000 23 AlO2- 0.70714E-06 -6.1505 0.67975E-06 -6.1677 0.96126E+00 -0.0172 24 CH4,aq 0.89984E-13 -13.0458 0.89977E-13 -13.0459 0.99992E+00 0.0000 29 CO,aq 0.28136E-15 -15.5507 0.28136E-15 -15.5507 0.10000E+01 0.0000 30 CO2,aq 0.15567E-05 -5.8078 0.15566E-05 -5.8078 0.99992E+00 0.0000 31 CO3-2 0.16228E-07 -7.7897 0.14624E-07 -7.8349 0.90113E+00 -0.0452 32 CaCO3,aq 0.31256E-08 -8.5051 0.31256E-08 -8.5051 0.10000E+01 0.0000 33 Ca(HCO3)+ 0.49985E-08 -8.3012 0.48052E-08 -8.3183 0.96133E+00 -0.0171 34 CaCl+ 0.38056E-08 -8.4196 0.36584E-08 -8.4367 0.96133E+00 -0.0171 35 CaCl2,aq 0.11527E-12 -12.9383 0.11527E-12 -12.9383 0.10000E+01 0.0000 36 CaOH+ 0.19158E-07 -7.7177 0.18417E-07 -7.7348 0.96133E+00 -0.0171 37 CaSO4,aq 0.12264E-06 -6.9114 0.12264E-06 -6.9114 0.10000E+01 0.0000 38 HCl,aq 0.16031E-11 -11.7951 0.16031E-11 -11.7951 0.10000E+01 0.0000 43 FeCl+ 0.79233E-11 -11.1011 0.76169E-11 -11.1182 0.96133E+00 -0.0171 44 FeCl2,aq 0.31983E-19 -19.4951 0.31983E-19 -19.4951 0.10000E+01 0.0000 46 FeO,aq 0.32411E-09 -9.4893 0.32411E-09 -9.4893 0.10000E+01 0.0000 47 FeOH+ 0.18626E-07 -7.7299 0.17906E-07 -7.7470 0.96133E+00 -0.0171 48 HFeO2- 0.53482E-10 -10.2718 0.51412E-10 -10.2889 0.96130E+00 -0.0171 49 FeO+ 0.52374E-12 -12.2809 0.50348E-12 -12.2980 0.96133E+00 -0.0171 50 FeOH+2 0.70391E-17 -17.1525 0.63423E-17 -17.1978 0.90101E+00 -0.0453 51 FeO2- 0.24631E-10 -10.6085 0.23678E-10 -10.6257 0.96130E+00 -0.0171 52 HFeO2,aq 0.19864E-09 -9.7019 0.19864E-09 -9.7019 0.10000E+01 0.0000 53 H2,aq 0.71962E-08 -8.1429 0.71956E-08 -8.1429 0.99992E+00 0.0000 54 KCl,aq 0.19617E-11 -11.7074 0.19617E-11 -11.7074 0.10000E+01 0.0000 55 KHSO4,aq 0.34487E-17 -17.4623 0.34487E-17 -17.4623 0.10000E+01 0.0000 56 KOH,aq 0.52838E-11 -11.2771 0.52838E-11 -11.2771 0.10000E+01 0.0000 57 KSO4- 0.29850E-09 -9.5251 0.28695E-09 -9.5422 0.96130E+00 -0.0171 58 MgCO3,aq 0.13066E-09 -9.8839 0.13066E-09 -9.8839 0.10000E+01 0.0000 59 Mg(HCO3)+ 0.85181E-09 -9.0697 0.81888E-09 -9.0868 0.96133E+00 -0.0171 60 MgCl+ 0.57524E-09 -9.2401 0.55300E-09 -9.2573 0.96133E+00 -0.0171 61 MgOH+ 0.17680E-07 -7.7525 0.16996E-07 -7.7696 0.96133E+00 -0.0171 63 MnO,aq 0.14167E-10 -10.8487 0.14167E-10 -10.8487 0.10000E+01 0.0000 64 MnOH+ 0.28384E-08 -8.5469 0.27286E-08 -8.5641 0.96133E+00 -0.0171 65 MnO2-2 0.11991E-18 -18.9211 0.10806E-18 -18.9663 0.90113E+00 -0.0452 66 HMnO2- 0.16244E-14 -14.7893 0.15616E-14 -14.8064 0.96130E+00 -0.0171 69 MnCl+ 0.50566E-10 -10.2961 0.48610E-10 -10.3133 0.96133E+00 -0.0171 70 MnSO4,aq 0.38934E-09 -9.4097 0.38934E-09 -9.4097 0.10000E+01 0.0000 71 NaCl,aq 0.69748E-08 -8.1565 0.69748E-08 -8.1565 0.10000E+01 0.0000 72 NaOH,aq 0.10337E-08 -8.9856 0.10337E-08 -8.9856 0.10000E+01 0.0000 74 OH- 0.91121E-05 -5.0404 0.87591E-05 -5.0575 0.96126E+00 -0.0172 79 HPO3-2 0.24795E-18 -18.6056 0.22344E-18 -18.6508 0.90113E+00 -0.0452 81 H2PO3- 0.30745E-19 -19.5122 0.29555E-19 -19.5294 0.96130E+00 -0.0171 82 H3PO4,aq 0.30322E-12 -12.5182 0.30322E-12 -12.5182 0.10000E+01 0.0000 83 H2PO4- 0.12613E-07 -7.8992 0.12125E-07 -7.9163 0.96131E+00 -0.0171 84 PO4-3 0.15222E-12 -12.8175 0.12325E-12 -12.9092 0.80966E+00 -0.0917 87 H2P2O7-2 0.12792E-16 -16.8931 0.11527E-16 -16.9383 0.90113E+00 -0.0452 88 HP2O7-3 0.43138E-16 -16.3651 0.34894E-16 -16.4572 0.80890E+00 -0.0921 89 P2O7-4 0.18162E-18 -18.7408 0.12638E-18 -18.8983 0.69583E+00 -0.1575 90 H2S,aq 0.38746E-07 -7.4118 0.38743E-07 -7.4118 0.99992E+00 0.0000 91 S2-2 0.12342E-15 -15.9086 0.11122E-15 -15.9538 0.90113E+00 -0.0452 96 SO2,aq 0.31681E-17 -17.4992 0.31681E-17 -17.4992 0.10000E+01 0.0000 97 SO3-2 0.23505E-13 -13.6288 0.21187E-13 -13.6739 0.90138E+00 -0.0451 98 HSO3- 0.91026E-13 -13.0408 0.87503E-13 -13.0580 0.96130E+00 -0.0171 99 HSO4- 0.14983E-08 -8.8244 0.14404E-08 -8.8415 0.96135E+00 -0.0171 101 S2O3-2 0.11443E-13 -13.9414 0.10312E-13 -13.9867 0.90113E+00 -0.0452 102 HS2O3- 0.12652E-18 -18.8978 0.12162E-18 -18.9150 0.96130E+00 -0.0171 Charge balance for all species = 0.7001E-15 Component Molality Aq.molality ppm log[A(N)/A(H+)**Z] (total) 1 H+ 0.6861028E-07 -.1101140E-04 -.1109867E-01 0.0000 2 H2O 0.1000000E+01 0.5550826E+02 0.9999832E+06 0.0000 3 Cl- 0.1379630E-03 0.1379744E-03 0.4891534E+01 3.3033 4 SO4-- 0.2514324E-04 0.2526630E-04 0.2427085E+01 9.7166 5 HCO3- 0.1148800E-04 0.1307002E-04 0.7974843E+00 2.2238 6 HS- 0.1976950E-06 0.2382125E-06 0.7878049E-02 0.4596 7 Al+++ 0.2652736E-18 0.7274039E-06 0.1962616E-01 2.8737 8 H4SiO4 0.4104501E-04 0.4165120E-04 0.4003262E+01 -4.3867 9 Ca++ 0.1891769E-04 0.1907166E-04 0.7643427E+00 9.5930 10 Mg++ 0.3155322E-05 0.3174608E-05 0.7717993E-01 8.8152 11 Fe++ 0.4027265E-07 0.5950800E-07 0.3323294E-02 6.9211 12 K+ 0.8489525E-06 0.8492582E-06 0.3320721E-01 1.0925 13 Na+ 0.1650827E-03 0.1650922E-03 0.3795381E+01 3.3813 14 Mn++ 0.6606204E-07 0.6935449E-07 0.3810141E-02 7.1361 15 HPO4-- 0.1105711E-07 0.2367034E-07 0.2271822E-02 6.3599 Component Tot moles Aq. moles Solid moles Gas moles 1 H+ -.5319406E-04 -.1101138E-04 -.4218268E-04 0.0000000E+00 2 H2O 0.5550820E+02 0.5550817E+02 0.2742365E-04 0.0000000E+00 3 Cl- 0.1379742E-03 0.1379742E-03 0.0000000E+00 0.0000000E+00 4 SO4-- 0.2561532E-04 0.2526626E-04 0.3490658E-06 0.0000000E+00 5 HCO3- 0.1307000E-04 0.1307000E-04 0.0000000E+00 0.0000000E+00 6 HS- -.1108536E-06 0.2382122E-06 -.3490658E-06 0.0000000E+00 7 Al+++ 0.1304297E-04 0.7274028E-06 0.1231556E-04 0.0000000E+00 8 H4SiO4 0.4165113E-04 0.4165113E-04 0.0000000E+00 0.0000000E+00 9 Ca++ 0.1907163E-04 0.1907163E-04 0.0000000E+00 0.0000000E+00 10 Mg++ 0.3174603E-05 0.3174603E-05 0.0000000E+00 0.0000000E+00 11 Fe++ 0.2852034E-05 0.5950791E-07 0.2792526E-05 0.0000000E+00 12 K+ 0.8492569E-06 0.8492569E-06 0.0000000E+00 0.0000000E+00 13 Na+ 0.1650920E-03 0.1650920E-03 0.0000000E+00 0.0000000E+00 14 Mn++ 0.6935438E-07 0.6935438E-07 0.0000000E+00 0.0000000E+00 15 HPO4-- 0.2367031E-07 0.2367031E-07 0.0000000E+00 0.0000000E+00 Chg. balance for solid moles: 0.2541E-20 Mass of aqueous solution: 0.100001E+04 g Temperature = 100.00 C Pressure = 50.00 bar Mixer frac. = 0.0040000 Log Log Vol Gas or mineral Moles Moles Grams Grams Wt.% (cm3) diaspore 0.1232E-04 -4.910 0.7388E-03 -3.131 76.82 0.2199E-03 hematite 0.1396E-05 -5.855 0.2230E-03 -3.652 23.18 0.4226E-04 Partial press. Fugacity coef Log fugacity Gas or Mineral Mole fraction or activity Activity coef Log activity diaspore 0.1000E+01 0.1000E+01 1.0000 0.000 hematite 0.1000E+01 0.1000E+01 1.0000 0.000 Solid products produced: Mass = 0.000962 g Volume = 0.000262 cm3 Porosity: 99.9738% V(tot) - V(min): 0.10013E+01 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: 0.0040000 g log = -2.3979 Original solution: 1000.0102895 g Original solution / Rock added: 250002.57 (Water/Rock Ratio), log = 5.3979 Gas composition at saturation ( 2 iterations) ------------------------------------------------- Temperature: 100.0000 deg.C Sat. pressure: 1.0205 bar Gas Mole fraction phi Fugacity Partial P(bar) H2O,gas 0.9998E+00 0.9860 0.1006E+01 0.1020E+01 CO2,gas 0.1620E-03 1.0071 0.1665E-03 0.1654E-03 CH4,gas 0.1282E-09 1.0125 0.1324E-09 0.1308E-09 H2,gas 0.9252E-05 1.0005 0.9447E-05 0.9442E-05 H2S,gas 0.1048E-05 0.9960 0.1065E-05 0.1069E-05 S2,gas 0.4675E-21 1.0000 0.4771E-21 0.4771E-21 CO,gas 0.4109E-12 1.0000 0.4193E-12 0.4193E-12 SO3,gas 0.3653E-34 1.0000 0.3728E-34 0.3728E-34 SO2,gas 0.1343E-16 1.0000 0.1370E-16 0.1370E-16 HCl,gas 0.2772E-14 1.0000 0.2829E-14 0.2829E-14 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 65 diaspore 2.87 2.87 0.00 0.000 0.30331E-11 90 hematite 12.57 12.57 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 -1.696 0.28965E+04 0.003 2 CO2,gas -6.66 -12.14 -5.48 -1.826 0.93526E+04 -3.778 3 CH4,gas 4.54 -7.03 -11.58 -2.894 0.19767E+05 -9.878 4 H2,gas 8.00 1.28 -6.72 -3.842 0.11480E+05 -5.025 5 H2S,gas -6.23 -13.90 -7.67 -3.836 0.13099E+05 -5.973 6 S2,gas -7.34 -30.36 -23.02 -3.542 0.39307E+05 -21.321 7 CO,gas 3.21 -10.86 -14.08 -4.331 0.24035E+05 -12.377 8 SO3,gas 17.12 -19.01 -36.13 -9.032 0.61687E+05 -34.429 9 SO2,gas 0.83 -17.73 -18.56 -4.950 0.31695E+05 -16.863 10 HCl,gas 5.19 -11.06 -16.25 -8.124 0.27742E+05 -14.548 21 andalusite 5.00 1.36 -3.64 -0.364 0.62167E+04 24 anhydrite -5.32 -9.41 -4.10 -2.048 0.69944E+04 32 apatite-OH -18.15 -19.12 -0.97 -0.075 0.16568E+04 35 aragonite 0.97 -2.54 -3.51 -1.170 0.59951E+04 36 brucite 12.57 8.82 -3.75 -0.751 0.64088E+04 37 calcite 0.81 -2.54 -3.36 -1.119 0.57309E+04 40 carpholite-Mg 8.58 5.79 -2.79 -0.186 0.47690E+04 41 carpholite-Fe 6.71 3.90 -2.82 -0.188 0.48110E+04 46 clinochlore 39.07 36.66 -2.41 -0.075 0.41091E+04 47 daphnite 28.97 27.19 -1.77 -0.055 0.30263E+04 50 chloritoid-Mg 13.20 10.18 -3.02 -0.201 0.51598E+04 51 chloritoid-Fe 9.17 8.28 -0.89 -0.059 0.15228E+04 52 chloritoid-Mn 11.40 8.50 -2.90 -0.194 0.49591E+04 54 coesite -2.38 -4.39 -2.01 -0.670 0.34332E+04 59 corundum 8.38 5.75 -2.64 -0.240 0.45004E+04 61 cristobalite -2.56 -4.39 -1.83 -0.609 0.31185E+04 78 fayalite 14.05 9.46 -4.59 -0.656 0.78376E+04 83 gibbsite 4.08 2.87 -1.21 -0.172 0.20585E+04 87 greenalite 16.14 11.99 -4.15 -0.346 0.70853E+04 92 hercynite 17.28 12.67 -4.61 -0.307 0.78715E+04 98 kaolinite -1.33 -3.03 -1.69 -0.154 0.28913E+04 99 kyanite 4.88 1.36 -3.52 -0.352 0.60026E+04 102 lawsonite 9.62 6.57 -3.05 -0.203 0.52063E+04 106 magnesite 0.69 -3.32 -4.01 -1.338 0.68521E+04 107 magnetite 20.09 19.49 -0.60 -0.049 0.10246E+04 110 magnesioferrite 26.21 21.38 -4.83 -0.394 0.82489E+04 128 periclase-Fe 11.63 6.92 -4.71 -1.176 0.80344E+04 142 pyrite -21.25 -22.16 -0.91 -0.215 0.15567E+04 143 pyrrhotite -4.26 -6.98 -2.72 -0.907 0.46450E+04 144 pyrrhotiteFe0.875 -6.02 -8.00 -1.99 -0.731 0.33930E+04 145 pyroxmangite 7.40 2.75 -4.65 -0.930 0.79386E+04 147 quartz -2.99 -4.39 -1.40 -0.466 0.23859E+04 151 rhodochrosite -0.98 -5.00 -4.03 -1.342 0.68729E+04 152 rhodonite 7.45 2.75 -4.70 -0.939 0.80189E+04 155 siderite -2.61 -5.22 -2.61 -0.869 0.44536E+04 156 sillimanite 5.26 1.36 -3.90 -0.390 0.66606E+04 177 topaz-H 4.62 1.36 -3.26 -0.296 0.55627E+04 178 tridymite -2.63 -4.39 -1.76 -0.587 0.30058E+04 181 troilite-low -4.41 -6.98 -2.57 -0.857 0.43878E+04 192 akaganeite 7.75 6.28 -1.47 -0.318 0.25125E+04 199 chalcedony -2.80 -4.39 -1.58 -0.528 0.27052E+04 205 nontronite-Ca 3.21 -1.00 -4.22 -0.274 0.71996E+04 208 nontronite-Mg 3.07 -1.13 -4.20 -0.273 0.71798E+04 209 nontronite-Na 3.52 -1.47 -4.99 -0.320 0.85181E+04 214 gypsum -4.96 -9.41 -4.46 -1.115 0.76120E+04 233 boehmite 4.41 2.87 -1.53 -0.255 0.26169E+04 235 ferrous-oxide 9.81 6.92 -2.89 -0.723 0.49354E+04 240 silica-amorphous -2.09 -4.39 -2.30 -0.765 0.39193E+04 Calculations done for 100.0000 Deg. C; 50.0000 bar Next reactant titration increment of: 0.0001000 g Current total amount of reactant added: 0.0040000 g New total amount of reactant added: 0.0041000 g Mixing fraction reached given limit of 0.4000E-02 TOTMIX = 0.4100E-02 Execution stopped.