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. 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 = 100.0000 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. 9.0107 MnO2-2 65 -2. 40.4376 Ca(HSiO3)+ 17 1. 7.6603 HMnO2- 66 -1. 29.1018 Mg(HSiO3)+ 18 1. 7.5653 MnO4- 67 -1. 83.3383 NaHSiO3,aq 19 0. 7.8098 MnO4-2 68 -2. 81.3024 AlO+ 20 1. 6.8891 MnCl+ 69 1. -0.7819 AlOH+2 21 2. 3.1893 MnSO4,aq 70 0. -2.4524 HAlO2,aq 22 0. 10.5878 NaCl,aq 71 0. 0.4861 AlO2- 23 -1. 16.2390 NaOH,aq 72 0. 12.3571 CH4,aq 24 0. 6.0082 O2,aq 73 0. 53.5759 C2H6,aq 25 0. 12.3556 OH- 74 -1. 12.2220 C3H8,aq 26 0. 17.3423 HO2- 75 -1. 50.7897 C4H10,aq 27 0. 22.3397 H2O2,aq 76 0. 40.0297 ethanol,aq 28 0. 15.3114 H3PO2,aq 77 0. 24.3310 CO,aq 29 0. 4.7087 H2PO2- 78 -1. 26.5491 CO2,aq 30 0. -6.3045 HPO3-2 79 -2. 11.9246 CO3-2 31 -2. 10.0340 H3PO3,aq 80 0. 3.5932 CaCO3,aq 32 0. 5.9460 H2PO3- 81 -1. 5.6314 Ca(HCO3)+ 33 1. -1.4013 H3PO4,aq 82 0. -9.8087 CaCl+ 34 1. -0.2023 H2PO4- 83 -1. -7.2438 CaCl2,aq 35 0. 0.4306 PO4-3 84 -3. 12.0588 CaOH+ 36 1. 10.1517 H4P2O7,aq 85 0. -17.7539 CaSO4,aq 37 0. -2.4936 H3P2O7- 86 -1. -15.8646 HCl,aq 38 0. 0.7256 H2P2O7-2 87 -2. -13.3812 HClO,aq 39 0. 32.4377 HP2O7-3 88 -3. -6.6931 ClO- 40 -1. 39.6416 P2O7-4 89 -4. 2.9147 HClO2,aq 41 0. 70.2060 H2S,aq 90 0. -6.4778 Fe+3 42 3. 8.3763 S2-2 91 -2. 1.2336 FeCl+ 43 1. -0.1924 S3-2 92 -2. -8.7963 FeCl2,aq 44 0. 4.3160 S3- 93 -1. -16.3178 FeCl+2 45 2. 6.5223 S4-2 94 -2. -18.6473 FeO,aq 46 0. 16.4029 S5-2 95 -2. -28.3223 FeOH+ 47 1. 7.4795 SO2,aq 96 0. -0.1980 HFeO2- 48 -1. 24.3713 SO3-2 97 -2. 10.2895 FeO+ 49 1. 11.3812 HSO3- 98 -1. 2.5222 FeOH+2 50 2. 9.1115 HSO4- 99 -1. -2.9675 FeO2- 51 -1. 24.0877 HSO5- 100 -1. 38.8657 HFeO2,aq 52 0. 15.9903 S2O3-2 101 -2. -4.5491 H2,aq 53 0. 9.4241 HS2O3- 102 -1. -6.8007 KCl,aq 54 0. 1.7519 H2S2O3,aq 103 0. -7.9944 KHSO4,aq 55 0. -0.4275 S2O4-2 104 -2. 10.5639 KOH,aq 56 0. 12.3606 HS2O4- 105 -1. 7.6762 KSO4- 57 -1. -1.1877 H2S2O4,aq 106 0. 6.6566 MgCO3,aq 58 0. 6.5483 S2O5-2 107 -2. 10.0891 Mg(HCO3)+ 59 1. -1.4098 S2O6-2 108 -2. 11.5737 MgCl+ 60 1. -0.1603 S2O8-2 109 -2. 42.1139 MgOH+ 61 1. 9.4082 S3O6-2 110 -2. 3.8101 Mn+3 62 3. 19.1332 S4O6-2 111 -2. -17.8301 MnO,aq 63 0. 17.9765 S5O6-2 112 -2. -14.1051 MnOH+ 64 1. 8.5115 113 0. 10.3157 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 1.984 0.0000E+00 osumilite(2) 124 20.895 0.0000E+00 CO2,gas 2 -6.363 0.0000E+00 osumilite-Fe 125 14.657 0.0000E+00 CH4,gas 3 4.809 0.0000E+00 pargasite 126 65.279 0.0000E+00 H2,gas 4 8.287 0.0000E+00 periclase 127 16.149 0.0000E+00 H2S,gas 5 -5.943 0.0000E+00 periclase-Fe 128 11.639 0.0000E+00 S2,gas 6 -7.033 0.0000E+00 perovskite-Al 129 12.395 0.0000E+00 CO,gas 7 3.510 0.0000E+00 perovskite-Ca 130 23.818 0.0000E+00 SO3,gas 8 17.427 0.0000E+00 perovskite-Fe 131 21.158 0.0000E+00 SO2,gas 9 1.136 0.0000E+00 perovskite-Mg 132 23.132 0.0000E+00 HCl,gas 10 5.479 0.0000E+00 phase_A 133 80.267 0.0000E+00 acmite 11 7.737 0.0000E+00 phlogopite-Na 134 29.731 0.0000E+00 akermanite 12 36.495 0.0000E+00 piemontite(ordered) 135 33.876 0.0000E+00 akimotoite 13 16.606 0.0000E+00 prehnite 136 19.466 0.0000E+00 akimotoite-Fe 14 13.083 0.0000E+00 prehnite-Fe 137 22.587 0.0000E+00 albite-high 15 0.750 0.0000E+00 pumpellyite-Fe 138 46.471 0.0000E+00 albite 16 -0.328 0.0000E+00 pumpellyite-Mg 139 49.194 0.0000E+00 almandine 17 24.545 0.0000E+00 px-Mg-tschermaks 140 19.687 0.0000E+00 pyrope 18 37.348 0.0000E+00 px-Ca-tschermaks 141 18.679 0.0000E+00 spessartine 19 24.550 0.0000E+00 pyrite 142 -21.225 0.0000E+00 analcite 20 3.371 0.0000E+00 pyrrhotite 143 -4.244 0.0000E+00 andalusite 21 5.062 0.0000E+00 pyrrhotiteFe0.875 144 -6.001 0.0000E+00 andradite 22 39.088 0.0000E+00 pyroxmangite 145 7.416 0.0000E+00 grossular 23 32.828 0.0000E+00 pyrophyllite 146 -6.098 0.0000E+00 anhydrite 24 -5.280 0.0000E+00 quartz 147 -2.982 0.0000E+00 ankerite 25 -2.093 0.0000E+00 rankinite 148 40.765 0.0000E+00 annite 26 20.209 0.0000E+00 riebeckite 149 20.593 0.0000E+00 phlogopite 27 27.147 0.0000E+00 ringwoodite-Fe 150 15.486 0.0000E+00 biotite-Mn 28 33.034 0.0000E+00 ringwoodite-Mg 151 27.602 0.0000E+00 anorthite 29 12.798 0.0000E+00 rhodochrosite 152 -0.959 0.0000E+00 anthophyllite 30 51.988 0.0000E+00 rhodonite 153 7.462 0.0000E+00 anthophyllite-Fe 31 29.455 0.0000E+00 sanidine 154 -1.221 0.0000E+00 apatite-OH 32 -17.989 0.0000E+00 sapphirine(351) 155 79.204 0.0000E+00 apatite-OH-zs 33 -12.572 0.0000E+00 siderite 156 -2.588 0.0000E+00 apatite-Cl-zs 34 -16.504 0.0000E+00 sillimanite 157 5.321 0.0000E+00 aragonite 35 0.986 0.0000E+00 sodalite 158 50.255 0.0000E+00 brucite 36 12.577 0.0000E+00 spinel 159 20.934 0.0000E+00 calcite 37 0.833 0.0000E+00 spurrite 160 59.566 0.0000E+00 carnegieite-low 38 9.065 0.0000E+00 staurolite-Fe 161 74.138 0.0000E+00 carnegieite-high 39 10.134 0.0000E+00 staurolite-Mg 162 90.336 0.0000E+00 carpholite-Mg 40 8.650 0.0000E+00 staurolite-Mn 163 84.438 0.0000E+00 carpholite-Fe 41 6.783 0.0000E+00 stilbite 164 -7.406 0.0000E+00 celadonite 42 5.401 0.0000E+00 stilpnomelane-Fe 165 13.179 0.0000E+00 celadonite-Fe 43 3.937 0.0000E+00 stilpnomelane-Mg 166 27.596 0.0000E+00 chrysotile 44 23.937 0.0000E+00 stishovite 167 2.721 0.0000E+00 chondrodite 45 56.542 0.0000E+00 sudoite-Fe 168 18.437 0.0000E+00 clinochlore 46 39.193 0.0000E+00 sudoite 169 21.216 0.0000E+00 daphnite 47 29.094 0.0000E+00 sulfur 170 -9.141 0.0000E+00 chlorite-Mn 48 46.985 0.0000E+00 sylvite 171 1.345 0.0000E+00 chlorite-Al-free 49 47.262 0.0000E+00 talc 172 16.553 0.0000E+00 chloritoid-Mg 50 13.261 0.0000E+00 talc-Fe 173 13.516 0.0000E+00 chloritoid-Fe 51 9.239 0.0000E+00 talc-tschermaks 174 19.189 0.0000E+00 chloritoid-Mn 52 11.463 0.0000E+00 tephroite 175 18.113 0.0000E+00 clinohumite 53 97.255 0.0000E+00 tilleyite 176 41.473 0.0000E+00 coesite 54 -2.369 0.0000E+00 titanite-CaSi 177 15.497 0.0000E+00 cordierite-H 55 23.898 0.0000E+00 topaz-H 178 4.668 0.0000E+00 cordierite 56 24.245 0.0000E+00 tridymite 179 -2.615 0.0000E+00 cordierite-Fe 57 20.649 0.0000E+00 tremolite 180 48.003 0.0000E+00 cordierite-Mn 58 25.261 0.0000E+00 ferroactinolite 181 38.596 0.0000E+00 corundum 59 8.433 0.0000E+00 troilite-low 182 -4.394 0.0000E+00 corundum-MgSi 60 18.905 0.0000E+00 tschermakite 183 48.414 0.0000E+00 cristobalite 61 -2.549 0.0000E+00 vesuvianite 184 224.056 0.0000E+00 cummingtonite 62 52.233 0.0000E+00 wadeite-Si 185 20.233 0.0000E+00 cymrite-K 63 1.731 0.0000E+00 wadsleyite-Fe 186 15.711 0.0000E+00 deerite 64 95.982 0.0000E+00 wadsleyite-Mg 187 25.878 0.0000E+00 diaspore 65 2.896 0.0000E+00 wairakite 188 4.058 0.0000E+00 diamond 66 -3.107 0.0000E+00 walstromite 189 11.528 0.0000E+00 diopside 67 16.215 0.0000E+00 wollastonite 190 10.482 0.0000E+00 hedenbergite 68 14.244 0.0000E+00 pseudo-wollastonite 191 11.020 0.0000E+00 dolomite,ordered 69 0.587 0.0000E+00 zoisite 192 22.964 0.0000E+00 eastonite 70 28.605 0.0000E+00 akaganeite 193 7.768 0.0000E+00 enstatite 71 17.301 0.0000E+00 beidellite-Ca 194 -1.560 0.0000E+00 clinoenstatite-HiP 72 18.388 0.0000E+00 beidellite-H 195 -2.241 0.0000E+00 clinoenstatite 73 17.202 0.0000E+00 beidellite-K 196 -1.435 0.0000E+00 protoenstatite 74 17.860 0.0000E+00 beidellite-Mg 197 -1.707 0.0000E+00 epidote 75 24.775 0.0000E+00 beidellite-Na 198 -1.257 0.0000E+00 clinozoisite 76 22.921 0.0000E+00 calcium 199 84.043 0.0000E+00 epidote-Fe 77 29.937 0.0000E+00 chalcedony 200 -2.794 0.0000E+00 fayalite 78 14.079 0.0000E+00 dawsonite 201 1.714 0.0000E+00 ferrosilite 79 11.188 0.0000E+00 montmorillonite-Ca 202 -2.214 0.0000E+00 forsterite 80 21.047 0.0000E+00 montmorillonite-K 203 -2.161 0.0000E+00 gedrite 81 50.725 0.0000E+00 montmorillonite-Mg 204 -2.402 0.0000E+00 gehlenite 82 36.717 0.0000E+00 montmorillonite-Na 205 -1.961 0.0000E+00 gibbsite 83 4.097 0.0000E+00 nontronite-Ca 206 3.280 0.0000E+00 glaucophane 84 23.111 0.0000E+00 nontronite-H 207 2.596 0.0000E+00 glaucophane-Fe 85 17.417 0.0000E+00 nontronite-K 208 3.404 0.0000E+00 graphite 86 -3.549 0.0000E+00 nontronite-Mg 209 3.139 0.0000E+00 greenalite 87 16.194 0.0000E+00 nontronite-Na 210 3.583 0.0000E+00 grunerite 88 31.364 0.0000E+00 sepiolite 211 24.194 0.0000E+00 halite 89 1.582 0.0000E+00 alite 212 58.043 0.0000E+00 hematite 90 12.598 0.0000E+00 belite 213 30.461 0.0000E+00 heulandite 91 -5.707 0.0000E+00 ettringite 214 43.354 0.0000E+00 hercynite 92 17.345 0.0000E+00 gypsum 215 -4.924 0.0000E+00 hollandite 93 25.702 0.0000E+00 hemicarboaluminate 216 71.028 0.0000E+00 iron 94 19.095 0.0000E+00 hydrogarnet 217 60.721 0.0000E+00 jadeite 95 4.251 0.0000E+00 hydrogarnet-Si 218 50.654 0.0000E+00 julgoldite 96 70.573 0.0000E+00 jennite 219 24.386 0.0000E+00 kalsilite 97 7.620 0.0000E+00 monosulfoaluminate 220 53.497 0.0000E+00 kaolinite 98 -1.273 0.0000E+00 monocarboaluminate 221 61.966 0.0000E+00 kyanite 99 4.932 0.0000E+00 portlandite 222 18.282 0.0000E+00 larnite-bredigite 100 30.714 0.0000E+00 stratlingite 223 36.573 0.0000E+00 laumontite 101 2.975 0.0000E+00 tricarboaluminate 224 70.427 0.0000E+00 lawsonite 102 9.678 0.0000E+00 tobermorite 225 9.839 0.0000E+00 leucite 103 4.168 0.0000E+00 C4AH13 226 81.870 0.0000E+00 lime 104 26.009 0.0000E+00 C2AH8 227 45.260 0.0000E+00 lizardite 105 23.287 0.0000E+00 C3A 228 87.049 0.0000E+00 magnesite 106 0.709 0.0000E+00 C4AF 229 117.550 0.0000E+00 magnetite 107 20.133 0.0000E+00 CAH10 230 28.373 0.0000E+00 minnesotaite 108 10.461 0.0000E+00 alabandite 231 -0.962 0.0000E+00 minnesotaite-Mg 109 20.669 0.0000E+00 alunite 232 -10.224 0.0000E+00 magnesioferrite 110 26.257 0.0000E+00 artinite 233 15.139 0.0000E+00 majorite 111 53.314 0.0000E+00 boehmite 234 4.430 0.0000E+00 manganosite 112 14.068 0.0000E+00 dolomite,disordered 235 1.288 0.0000E+00 margarite 113 17.452 0.0000E+00 ferrous-oxide 236 9.824 0.0000E+00 meionite 114 45.158 0.0000E+00 huntite 237 3.850 0.0000E+00 merwinite 115 55.988 0.0000E+00 hydromagnesite 238 20.077 0.0000E+00 microcline 116 -2.432 0.0000E+00 nesquehonite 239 4.735 0.0000E+00 monticellite 117 24.371 0.0000E+00 potassium-oxide 240 69.039 0.0000E+00 mullite-Al 118 363.258 0.0000E+00 silica-amorphous 241 -2.080 0.0000E+00 mullite-Si 119 7.324 0.0000E+00 sodium-oxide 242 55.173 0.0000E+00 muscovite 120 2.679 0.0000E+00 an20ab80 243 2.079 0.0000E+00 paragonite 121 4.337 0.0000E+00 an25ab75 244 2.709 0.0000E+00 nepheline 122 8.378 0.0000E+00 an30ab70 245 3.344 0.0000E+00 osumilite(1) 123 21.978 0.0000E+00 tr.625ac.25prg.125 246 45.308 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 iron 9 magnetite 14 talc 7 talc-Fe 7 tremolite 2 ferroactinolite 2 ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ Magmatic gas scrubbing preliminary calculation. React meteoric water with andesite, Getahun et al. 1996 J. Volc. Geotherm. Res. 71(73-107). Table 1 page 82 sample MAF-1 ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ Number of loops used = 19 Loop limit = 400 Temperature = 100.00 C Pressure = 100.00 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 = .2310390E-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+ 0.24905E-05 -5.6037 0.23972E-05 -5.6203 0.96255E+00 -0.0166 2 H2O 0.10000E+01 0.0000 0.10000E+01 0.0000 3 Cl- 0.13796E-03 -3.8602 0.13278E-03 -3.8769 0.96245E+00 -0.0166 4 SO4-- 0.25358E-04 -4.5959 0.22961E-04 -4.6390 0.90546E+00 -0.0431 5 HCO3- 0.23122E-05 -5.6360 0.22254E-05 -5.6526 0.96247E+00 -0.0166 6 HS- 0.73250E-34 -34.1352 0.70499E-34 -34.1518 0.96245E+00 -0.0166 7 Al+++ 0.32933E-22 -22.4824 0.26926E-22 -22.5698 0.81761E+00 -0.0875 8 H4SiO4 0.99958E-16 -16.0002 0.99958E-16 -16.0002 0.10000E+01 0.0000 9 Ca++ 0.14374E-04 -4.8424 0.13013E-04 -4.8856 0.90535E+00 -0.0432 10 Mg++ 0.99961E-16 -16.0002 0.90492E-16 -16.0434 0.90528E+00 -0.0432 11 Fe++ 0.97044E-16 -16.0130 0.87853E-16 -16.0562 0.90529E+00 -0.0432 12 K+ 0.99964E-16 -16.0002 0.96213E-16 -16.0168 0.96247E+00 -0.0166 13 Na+ 0.16006E-03 -3.7957 0.15405E-03 -3.8123 0.96244E+00 -0.0166 14 Mn++ 0.99221E-16 -16.0034 0.89825E-16 -16.0466 0.90531E+00 -0.0432 15 HPO4-- 0.24647E-17 -17.6082 0.22317E-17 -17.6514 0.90546E+00 -0.0431 16 HSiO3- 0.42270E-19 -19.3740 0.40683E-19 -19.3906 0.96245E+00 -0.0166 20 AlO+ 0.62847E-18 -18.2017 0.60489E-18 -18.2183 0.96248E+00 -0.0166 22 HAlO2,aq 0.50494E-16 -16.2968 0.50494E-16 -16.2968 0.10000E+01 0.0000 23 AlO2- 0.48869E-16 -16.3110 0.47033E-16 -16.3276 0.96242E+00 -0.0166 30 CO2,aq 0.10757E-04 -4.9683 0.10756E-04 -4.9683 0.99993E+00 0.0000 31 CO3-2 0.94800E-10 -10.0232 0.85834E-10 -10.0663 0.90542E+00 -0.0431 32 CaCO3,aq 0.13681E-10 -10.8639 0.13681E-10 -10.8639 0.10000E+01 0.0000 33 Ca(HCO3)+ 0.75817E-09 -9.1202 0.72972E-09 -9.1368 0.96248E+00 -0.0166 34 CaCl+ 0.28608E-08 -8.5435 0.27535E-08 -8.5601 0.96248E+00 -0.0166 35 CaCl2,aq 0.85129E-13 -13.0699 0.85129E-13 -13.0699 0.10000E+01 0.0000 36 CaOH+ 0.39771E-09 -9.4004 0.38278E-09 -9.4170 0.96248E+00 -0.0166 37 CaSO4,aq 0.93099E-07 -7.0311 0.93099E-07 -7.0311 0.10000E+01 0.0000 38 HCl,aq 0.59873E-10 -10.2228 0.59873E-10 -10.2228 0.10000E+01 0.0000 43 FeCl+ 0.18877E-19 -19.7241 0.18169E-19 -19.7407 0.96248E+00 -0.0166 47 FeOH+ 0.12623E-17 -17.8988 0.12150E-17 -17.9154 0.96248E+00 -0.0166 49 FeO+ 0.15348E-18 -18.8140 0.14772E-18 -18.8306 0.96248E+00 -0.0166 52 HFeO2,aq 0.15157E-17 -17.8194 0.15157E-17 -17.8194 0.10000E+01 0.0000 53 H2,aq 0.40065E-15 -15.3972 0.40062E-15 -15.3973 0.99993E+00 0.0000 57 KSO4- 0.35363E-19 -19.4515 0.34035E-19 -19.4681 0.96245E+00 -0.0166 60 MgCl+ 0.18060E-19 -19.7433 0.17382E-19 -19.7599 0.96248E+00 -0.0166 61 MgOH+ 0.15321E-19 -19.8147 0.14746E-19 -19.8313 0.96248E+00 -0.0166 64 MnOH+ 0.11990E-18 -18.9212 0.11540E-18 -18.9378 0.96248E+00 -0.0166 69 MnCl+ 0.75001E-19 -19.1249 0.72187E-19 -19.1415 0.96248E+00 -0.0166 70 MnSO4,aq 0.58450E-18 -18.2332 0.58450E-18 -18.2332 0.10000E+01 0.0000 71 NaCl,aq 0.66793E-08 -8.1753 0.66793E-08 -8.1753 0.10000E+01 0.0000 72 NaOH,aq 0.28238E-10 -10.5492 0.28238E-10 -10.5492 0.10000E+01 0.0000 74 OH- 0.25999E-06 -6.5850 0.25022E-06 -6.6017 0.96242E+00 -0.0166 82 H3PO4,aq 0.82566E-19 -19.0832 0.82566E-19 -19.0832 0.10000E+01 0.0000 83 H2PO4- 0.97453E-16 -16.0112 0.93794E-16 -16.0278 0.96246E+00 -0.0166 98 HSO3- 0.18282E-18 -18.7380 0.17595E-18 -18.7546 0.96245E+00 -0.0166 99 HSO4- 0.53062E-07 -7.2752 0.51071E-07 -7.2918 0.96249E+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: 1.0532 bar Gas Mole fraction phi Fugacity Partial P(bar) H2O,gas 0.9988E+00 0.9855 0.1037E+01 0.1052E+01 CO2,gas 0.1161E-02 1.0073 0.1231E-02 0.1222E-02 CH4,gas 0.9939E-38 1.0129 0.1060E-37 0.1047E-37 H2,gas 0.5215E-12 1.0006 0.5495E-12 0.5492E-12 H2S,gas 0.1412E-31 0.9959 0.1481E-31 0.1487E-31 S2,gas 0.2583E-58 1.0000 0.2721E-58 0.2721E-58 CO,gas 0.1664E-18 1.0000 0.1752E-18 0.1752E-18 SO3,gas 0.4684E-31 1.0000 0.4933E-31 0.4933E-31 SO2,gas 0.9736E-21 1.0000 0.1025E-20 0.1025E-20 HCl,gas 0.1004E-12 1.0000 0.1057E-12 0.1057E-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 1.98 0.00 -1.98 -1.984 0.33882E+04 0.016 2 CO2,gas -6.36 -11.27 -4.91 -1.637 0.83831E+04 -2.910 3 CH4,gas 4.81 -35.17 -39.97 -9.994 0.68255E+05 -37.975 4 H2,gas 8.29 -5.97 -14.26 -8.149 0.24349E+05 -12.260 5 H2S,gas -5.94 -39.77 -33.83 -16.915 0.57763E+05 -31.829 6 S2,gas -7.03 -67.60 -60.57 -9.318 0.10341E+06 -58.565 7 CO,gas 3.51 -17.25 -20.76 -6.387 0.35441E+05 -18.756 8 SO3,gas 17.43 -15.88 -33.31 -8.327 0.56871E+05 -31.307 9 SO2,gas 1.14 -21.85 -22.99 -6.130 0.39253E+05 -20.989 10 HCl,gas 5.48 -9.50 -14.98 -7.488 0.25571E+05 -12.976 24 anhydrite -5.28 -9.52 -4.24 -2.122 0.72480E+04 215 gypsum -4.92 -9.52 -4.60 -1.150 0.78548E+04 Calculations done for 100.0000 Deg. C; 100.0000 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 = 100.00 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. = 0.9908 True ionic strength = .2316860E-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+ 0.22510E-05 -5.6476 0.21666E-05 -5.6642 0.96252E+00 -0.0166 2 H2O 0.10000E+01 0.0000 0.10000E+01 0.0000 3 Cl- 0.13796E-03 -3.8602 0.13278E-03 -3.8769 0.96242E+00 -0.0166 4 SO4-- 0.25363E-04 -4.5958 0.22962E-04 -4.6390 0.90536E+00 -0.0432 5 HCO3- 0.25111E-05 -5.6001 0.24168E-05 -5.6168 0.96244E+00 -0.0166 6 HS- 0.12683E-44 -44.8968 0.12207E-44 -44.9134 0.96242E+00 -0.0166 7 Al+++ 0.75423E-13 -13.1225 0.61652E-13 -13.2101 0.81741E+00 -0.0876 8 H4SiO4 0.10408E-05 -5.9826 0.10408E-05 -5.9826 0.10000E+01 0.0000 9 Ca++ 0.14488E-04 -4.8390 0.13115E-04 -4.8822 0.90525E+00 -0.0432 10 Mg++ 0.79333E-07 -7.1005 0.71810E-07 -7.1438 0.90517E+00 -0.0433 11 Fe++ 0.48423E-07 -7.3149 0.43833E-07 -7.3582 0.90519E+00 -0.0433 12 K+ 0.21224E-07 -7.6732 0.20427E-07 -7.6898 0.96245E+00 -0.0166 13 Na+ 0.16019E-03 -3.7954 0.15417E-03 -3.8120 0.96242E+00 -0.0166 14 Mn++ 0.17201E-08 -8.7644 0.15571E-08 -8.8077 0.90520E+00 -0.0433 15 HPO4-- 0.16098E-10 -10.7932 0.14574E-10 -10.8364 0.90536E+00 -0.0432 16 HSiO3- 0.48699E-09 -9.3125 0.46869E-09 -9.3291 0.96242E+00 -0.0166 17 Ca(HSiO3)+ 0.14310E-12 -12.8444 0.13772E-12 -12.8610 0.96245E+00 -0.0166 18 Mg(HSiO3)+ 0.97508E-15 -15.0110 0.93846E-15 -15.0276 0.96245E+00 -0.0166 19 NaHSiO3,aq 0.11476E-11 -11.9402 0.11476E-11 -11.9402 0.10000E+01 0.0000 20 AlO+ 0.17616E-08 -8.7541 0.16955E-08 -8.7707 0.96245E+00 -0.0166 21 AlOH+2 0.20329E-10 -10.6919 0.18402E-10 -10.7351 0.90522E+00 -0.0432 22 HAlO2,aq 0.15660E-06 -6.8052 0.15660E-06 -6.8052 0.10000E+01 0.0000 23 AlO2- 0.16769E-06 -6.7755 0.16139E-06 -6.7921 0.96239E+00 -0.0166 30 CO2,aq 0.10558E-04 -4.9764 0.10557E-04 -4.9765 0.99993E+00 0.0000 31 CO3-2 0.11392E-09 -9.9434 0.10313E-09 -9.9866 0.90532E+00 -0.0432 32 CaCO3,aq 0.16567E-10 -10.7808 0.16567E-10 -10.7808 0.10000E+01 0.0000 33 Ca(HCO3)+ 0.82982E-09 -9.0810 0.79866E-09 -9.0976 0.96245E+00 -0.0166 34 CaCl+ 0.28832E-08 -8.5401 0.27750E-08 -8.5567 0.96245E+00 -0.0166 35 CaCl2,aq 0.85791E-13 -13.0666 0.85791E-13 -13.0666 0.10000E+01 0.0000 36 CaOH+ 0.44349E-09 -9.3531 0.42684E-09 -9.3697 0.96245E+00 -0.0166 37 CaSO4,aq 0.93833E-07 -7.0276 0.93833E-07 -7.0276 0.10000E+01 0.0000 38 HCl,aq 0.54112E-10 -10.2667 0.54112E-10 -10.2667 0.10000E+01 0.0000 42 Fe+3 0.10352E-16 -16.9850 0.84626E-17 -17.0725 0.81745E+00 -0.0875 43 FeCl+ 0.94185E-11 -11.0260 0.90648E-11 -11.0426 0.96245E+00 -0.0166 44 FeCl2,aq 0.37330E-19 -19.4279 0.37330E-19 -19.4279 0.10000E+01 0.0000 45 FeCl+2 0.88708E-19 -19.0520 0.80300E-19 -19.0953 0.90522E+00 -0.0432 46 FeO,aq 0.36925E-12 -12.4327 0.36925E-12 -12.4327 0.10000E+01 0.0000 47 FeOH+ 0.69687E-09 -9.1568 0.67070E-09 -9.1735 0.96245E+00 -0.0166 48 HFeO2- 0.19047E-14 -14.7202 0.18331E-14 -14.7368 0.96242E+00 -0.0166 49 FeO+ 0.18524E-08 -8.7323 0.17828E-08 -8.7489 0.96245E+00 -0.0166 50 FeOH+2 0.79402E-12 -12.1002 0.71877E-12 -12.1434 0.90522E+00 -0.0432 51 FeO2- 0.77559E-10 -10.1104 0.74645E-10 -10.1270 0.96242E+00 -0.0166 52 HFeO2,aq 0.20240E-07 -7.6938 0.20240E-07 -7.6938 0.10000E+01 0.0000 53 H2,aq 0.83820E-18 -18.0767 0.83814E-18 -18.0767 0.99993E+00 0.0000 54 KCl,aq 0.48025E-13 -13.3185 0.48025E-13 -13.3185 0.10000E+01 0.0000 55 KHSO4,aq 0.27194E-17 -17.5655 0.27194E-17 -17.5655 0.10000E+01 0.0000 56 KOH,aq 0.41101E-14 -14.3861 0.41101E-14 -14.3861 0.10000E+01 0.0000 57 KSO4- 0.75085E-11 -11.1244 0.72263E-11 -11.1411 0.96242E+00 -0.0166 58 MgCO3,aq 0.22666E-13 -13.6446 0.22666E-13 -13.6446 0.10000E+01 0.0000 59 Mg(HCO3)+ 0.46331E-11 -11.3341 0.44592E-11 -11.3507 0.96245E+00 -0.0166 60 MgCl+ 0.14331E-10 -10.8437 0.13793E-10 -10.8603 0.96245E+00 -0.0166 61 MgOH+ 0.13453E-10 -10.8712 0.12947E-10 -10.8878 0.96245E+00 -0.0166 63 MnO,aq 0.35016E-15 -15.4557 0.35016E-15 -15.4557 0.10000E+01 0.0000 64 MnOH+ 0.22997E-11 -11.6383 0.22133E-11 -11.6550 0.96245E+00 -0.0166 69 MnCl+ 0.13001E-11 -11.8860 0.12513E-11 -11.9026 0.96245E+00 -0.0166 70 MnSO4,aq 0.10133E-10 -10.9943 0.10133E-10 -10.9943 0.10000E+01 0.0000 71 NaCl,aq 0.66842E-08 -8.1750 0.66842E-08 -8.1750 0.10000E+01 0.0000 72 NaOH,aq 0.31267E-10 -10.5049 0.31267E-10 -10.5049 0.10000E+01 0.0000 74 OH- 0.28767E-06 -6.5411 0.27685E-06 -6.5577 0.96239E+00 -0.0166 82 H3PO4,aq 0.44045E-12 -12.3561 0.44045E-12 -12.3561 0.10000E+01 0.0000 83 H2PO4- 0.57522E-09 -9.2402 0.55361E-09 -9.2568 0.96243E+00 -0.0166 84 PO4-3 0.71808E-17 -17.1438 0.58746E-17 -17.2310 0.81810E+00 -0.0872 87 H2P2O7-2 0.26496E-19 -19.5768 0.23987E-19 -19.6200 0.90532E+00 -0.0432 99 HSO4- 0.47962E-07 -7.3191 0.46161E-07 -7.3357 0.96247E+00 -0.0166 Charge balance for all species = 0.6999E-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: 1.0531 bar Gas Mole fraction phi Fugacity Partial P(bar) H2O,gas 0.9989E+00 0.9855 0.1037E+01 0.1052E+01 CO2,gas 0.1139E-02 1.0073 0.1208E-02 0.1200E-02 CH4,gas 0.1869E-48 1.0129 0.1994E-48 0.1968E-48 H2,gas 0.1091E-14 1.0006 0.1150E-14 0.1149E-14 H2S,gas 0.2210E-42 0.9959 0.2318E-42 0.2327E-42 S2,gas 0.1445E-74 1.0000 0.1522E-74 0.1522E-74 CO,gas 0.3417E-21 1.0000 0.3598E-21 0.3598E-21 SO3,gas 0.3826E-31 1.0000 0.4030E-31 0.4030E-31 SO2,gas 0.1664E-23 1.0000 0.1752E-23 0.1752E-23 HCl,gas 0.9072E-13 1.0000 0.9555E-13 0.9555E-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 12.60 16.59 4.00 0.484 -0.68221E+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 1.98 0.00 -1.98 -1.984 0.33882E+04 0.016 2 CO2,gas -6.36 -11.28 -4.92 -1.639 0.83970E+04 -2.918 3 CH4,gas 4.81 -45.89 -50.70 -12.675 0.86569E+05 -48.700 4 H2,gas 8.29 -8.65 -16.94 -9.680 0.28924E+05 -14.939 5 H2S,gas -5.94 -50.58 -44.63 -22.317 0.76213E+05 -42.635 6 S2,gas -7.03 -83.85 -76.82 -11.818 0.13116E+06 -74.817 7 CO,gas 3.51 -19.93 -23.44 -7.214 0.40030E+05 -21.444 8 SO3,gas 17.43 -15.97 -33.39 -8.349 0.57021E+05 -31.395 9 SO2,gas 1.14 -24.62 -25.76 -6.868 0.43978E+05 -23.756 10 HCl,gas 5.48 -9.54 -15.02 -7.510 0.25646E+05 -13.020 21 andalusite 5.06 1.58 -3.48 -0.348 0.59417E+04 24 anhydrite -5.28 -9.52 -4.24 -2.121 0.72422E+04 51 chloritoid-Fe 9.24 5.55 -3.69 -0.246 0.62935E+04 54 coesite -2.37 -5.98 -3.61 -1.204 0.61696E+04 59 corundum 8.43 7.57 -0.87 -0.079 0.14825E+04 61 cristobalite -2.55 -5.98 -3.43 -1.144 0.58625E+04 65 diaspore 2.90 3.78 0.89 0.148 -0.15137E+04 83 gibbsite 4.10 3.78 -0.31 -0.045 0.53748E+03 98 kaolinite -1.27 -4.40 -3.13 -0.284 0.53391E+04 99 kyanite 4.93 1.58 -3.35 -0.335 0.57184E+04 107 magnetite 20.13 20.56 0.43 0.035 -0.73504E+03 129 perovskite-Al 12.40 7.57 -4.83 -0.439 0.82475E+04 147 quartz -2.98 -5.98 -3.00 -1.000 0.51235E+04 156 siderite -2.59 -7.31 -4.72 -1.574 0.80645E+04 157 sillimanite 5.32 1.58 -3.74 -0.374 0.63839E+04 178 topaz-H 4.67 1.58 -3.08 -0.280 0.52675E+04 179 tridymite -2.61 -5.98 -3.37 -1.123 0.57508E+04 193 akaganeite 7.77 8.30 0.53 0.114 -0.90287E+03 200 chalcedony -2.79 -5.98 -3.19 -1.063 0.54438E+04 215 gypsum -4.92 -9.52 -4.60 -1.149 0.78489E+04 234 boehmite 4.43 3.78 -0.65 -0.108 0.11047E+04 241 silica-amorphous -2.08 -5.98 -3.90 -1.301 0.66640E+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 = 100.00 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. = 0.9908 True ionic strength = .2316850E-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+ 0.22518E-05 -5.6475 0.21674E-05 -5.6641 0.96252E+00 -0.0166 2 H2O 0.10000E+01 0.0000 0.10000E+01 0.0000 3 Cl- 0.13796E-03 -3.8602 0.13278E-03 -3.8769 0.96242E+00 -0.0166 4 SO4-- 0.25363E-04 -4.5958 0.22962E-04 -4.6390 0.90536E+00 -0.0432 5 HCO3- 0.25103E-05 -5.6003 0.24160E-05 -5.6169 0.96244E+00 -0.0166 6 HS- 0.12091E-28 -28.9175 0.11637E-28 -28.9342 0.96242E+00 -0.0166 7 Al+++ 0.75522E-13 -13.1219 0.61733E-13 -13.2095 0.81741E+00 -0.0876 8 H4SiO4 0.10408E-05 -5.9826 0.10408E-05 -5.9826 0.10000E+01 0.0000 9 Ca++ 0.14488E-04 -4.8390 0.13115E-04 -4.8822 0.90525E+00 -0.0432 10 Mg++ 0.79333E-07 -7.1005 0.71810E-07 -7.1438 0.90517E+00 -0.0433 11 Fe++ 0.48424E-07 -7.3149 0.43833E-07 -7.3582 0.90519E+00 -0.0433 12 K+ 0.21224E-07 -7.6732 0.20427E-07 -7.6898 0.96245E+00 -0.0166 13 Na+ 0.16019E-03 -3.7954 0.15417E-03 -3.8120 0.96242E+00 -0.0166 14 Mn++ 0.17201E-08 -8.7644 0.15571E-08 -8.8077 0.90520E+00 -0.0433 15 HPO4-- 0.16092E-10 -10.7934 0.14569E-10 -10.8366 0.90536E+00 -0.0432 16 HSiO3- 0.48681E-09 -9.3126 0.46851E-09 -9.3293 0.96242E+00 -0.0166 17 Ca(HSiO3)+ 0.14304E-12 -12.8445 0.13767E-12 -12.8612 0.96245E+00 -0.0166 18 Mg(HSiO3)+ 0.97471E-15 -15.0111 0.93811E-15 -15.0277 0.96245E+00 -0.0166 19 NaHSiO3,aq 0.11472E-11 -11.9404 0.11472E-11 -11.9404 0.10000E+01 0.0000 20 AlO+ 0.17626E-08 -8.7538 0.16964E-08 -8.7705 0.96245E+00 -0.0166 21 AlOH+2 0.20348E-10 -10.6915 0.18419E-10 -10.7347 0.90522E+00 -0.0432 22 HAlO2,aq 0.15663E-06 -6.8051 0.15663E-06 -6.8051 0.10000E+01 0.0000 23 AlO2- 0.16766E-06 -6.7756 0.16136E-06 -6.7922 0.96239E+00 -0.0166 30 CO2,aq 0.10559E-04 -4.9764 0.10558E-04 -4.9764 0.99993E+00 0.0000 31 CO3-2 0.11384E-09 -9.9437 0.10306E-09 -9.9869 0.90532E+00 -0.0432 32 CaCO3,aq 0.16555E-10 -10.7811 0.16555E-10 -10.7811 0.10000E+01 0.0000 33 Ca(HCO3)+ 0.82957E-09 -9.0811 0.79842E-09 -9.0978 0.96245E+00 -0.0166 34 CaCl+ 0.28832E-08 -8.5401 0.27750E-08 -8.5567 0.96245E+00 -0.0166 35 CaCl2,aq 0.85791E-13 -13.0666 0.85791E-13 -13.0666 0.10000E+01 0.0000 36 CaOH+ 0.44333E-09 -9.3533 0.42668E-09 -9.3699 0.96245E+00 -0.0166 37 CaSO4,aq 0.93833E-07 -7.0276 0.93833E-07 -7.0276 0.10000E+01 0.0000 38 HCl,aq 0.54132E-10 -10.2665 0.54132E-10 -10.2665 0.10000E+01 0.0000 42 Fe+3 0.10419E-18 -18.9822 0.85169E-19 -19.0697 0.81745E+00 -0.0875 43 FeCl+ 0.94185E-11 -11.0260 0.90649E-11 -11.0426 0.96245E+00 -0.0166 44 FeCl2,aq 0.37330E-19 -19.4279 0.37330E-19 -19.4279 0.10000E+01 0.0000 46 FeO,aq 0.36897E-12 -12.4330 0.36897E-12 -12.4330 0.10000E+01 0.0000 47 FeOH+ 0.69661E-09 -9.1570 0.67046E-09 -9.1736 0.96245E+00 -0.0166 48 HFeO2- 0.19026E-14 -14.7207 0.18311E-14 -14.7373 0.96242E+00 -0.0166 49 FeO+ 0.18629E-10 -10.7298 0.17929E-10 -10.7464 0.96245E+00 -0.0166 50 FeOH+2 0.79882E-14 -14.0975 0.72311E-14 -14.1408 0.90522E+00 -0.0432 51 FeO2- 0.77941E-12 -12.1082 0.75011E-12 -12.1249 0.96242E+00 -0.0166 52 HFeO2,aq 0.20347E-09 -9.6915 0.20347E-09 -9.6915 0.10000E+01 0.0000 53 H2,aq 0.82817E-14 -14.0819 0.82811E-14 -14.0819 0.99993E+00 0.0000 54 KCl,aq 0.48025E-13 -13.3185 0.48025E-13 -13.3185 0.10000E+01 0.0000 55 KHSO4,aq 0.27204E-17 -17.5654 0.27204E-17 -17.5654 0.10000E+01 0.0000 56 KOH,aq 0.41086E-14 -14.3863 0.41086E-14 -14.3863 0.10000E+01 0.0000 57 KSO4- 0.75085E-11 -11.1244 0.72263E-11 -11.1411 0.96242E+00 -0.0166 58 MgCO3,aq 0.22650E-13 -13.6449 0.22650E-13 -13.6449 0.10000E+01 0.0000 59 Mg(HCO3)+ 0.46317E-11 -11.3343 0.44578E-11 -11.3509 0.96245E+00 -0.0166 60 MgCl+ 0.14331E-10 -10.8437 0.13793E-10 -10.8603 0.96245E+00 -0.0166 61 MgOH+ 0.13448E-10 -10.8714 0.12943E-10 -10.8880 0.96245E+00 -0.0166 63 MnO,aq 0.34989E-15 -15.4561 0.34989E-15 -15.4561 0.10000E+01 0.0000 64 MnOH+ 0.22988E-11 -11.6385 0.22125E-11 -11.6551 0.96245E+00 -0.0166 69 MnCl+ 0.13001E-11 -11.8860 0.12513E-11 -11.9026 0.96245E+00 -0.0166 70 MnSO4,aq 0.10133E-10 -10.9943 0.10133E-10 -10.9943 0.10000E+01 0.0000 71 NaCl,aq 0.66842E-08 -8.1750 0.66842E-08 -8.1750 0.10000E+01 0.0000 72 NaOH,aq 0.31255E-10 -10.5051 0.31255E-10 -10.5051 0.10000E+01 0.0000 74 OH- 0.28757E-06 -6.5413 0.27675E-06 -6.5579 0.96239E+00 -0.0166 82 H3PO4,aq 0.44062E-12 -12.3559 0.44062E-12 -12.3559 0.10000E+01 0.0000 83 H2PO4- 0.57522E-09 -9.2402 0.55362E-09 -9.2568 0.96243E+00 -0.0166 84 PO4-3 0.71755E-17 -17.1441 0.58703E-17 -17.2313 0.81810E+00 -0.0872 87 H2P2O7-2 0.26496E-19 -19.5768 0.23987E-19 -19.6200 0.90532E+00 -0.0432 97 SO3-2 0.28631E-19 -19.5432 0.25927E-19 -19.5862 0.90555E+00 -0.0431 98 HSO3- 0.34170E-17 -17.4664 0.32886E-17 -17.4830 0.96242E+00 -0.0166 99 HSO4- 0.47979E-07 -7.3189 0.46179E-07 -7.3356 0.96247E+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+ 0.2251822E-05 0.1142530E-04 0.1151590E-01 0.0000 2 H2O 0.1000000E+01 0.5550824E+02 0.9999875E+06 0.0000 3 Cl- 0.1379645E-03 0.1379742E-03 0.4891548E+01 1.7872 4 SO4-- 0.2536264E-04 0.2550449E-04 0.2449978E+01 6.6891 5 HCO3- 0.2510311E-05 0.1307000E-04 0.7974866E+00 0.0472 6 HS- 0.1209142E-28 -.2785879E-10 -.9213367E-06 -23.2701 7 Al+++ 0.7552227E-13 0.3260741E-06 0.8797879E-02 3.7827 8 H4SiO4 0.1040790E-05 0.1041278E-05 0.1000819E+00 -5.9826 9 Ca++ 0.1448807E-04 0.1458607E-04 0.5845747E+00 6.4459 10 Mg++ 0.7933263E-07 0.7936507E-07 0.1929504E-02 4.1843 11 Fe++ 0.4842371E-07 0.4935300E-07 0.2756189E-02 3.9699 12 K+ 0.2122386E-07 0.2123142E-07 0.8301825E-03 -2.0257 13 Na+ 0.1601898E-03 0.1601965E-03 0.3682848E+01 1.8521 14 Mn++ 0.1720128E-08 0.1733859E-08 0.9525380E-04 2.5204 15 HPO4-- 0.1609207E-10 0.5917577E-09 0.5679573E-04 0.4915 Component Tot moles Aq. moles Solid moles Gas moles 1 H+ 0.1138415E-04 0.1142530E-04 -.4115223E-07 0.0000000E+00 2 H2O 0.5550825E+02 0.5550825E+02 0.2194786E-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 0.2743482E-08 0.0000000E+00 5 HCO3- 0.1307000E-04 0.1307000E-04 0.0000000E+00 0.0000000E+00 6 HS- -.2771341E-08 -.2785880E-10 -.2743482E-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 0.4935300E-07 0.2194786E-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 = 100.00 bar Mixer frac. = 0.0001000 Log Log Vol Gas or mineral Moles Moles Grams Grams Wt.% (cm3) hematite 0.1097E-07 -7.960 0.1753E-05 -5.756 100.0 0.3322E-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: 1.0531 bar Gas Mole fraction phi Fugacity Partial P(bar) H2O,gas 0.9989E+00 0.9855 0.1037E+01 0.1052E+01 CO2,gas 0.1139E-02 1.0073 0.1209E-02 0.1200E-02 CH4,gas 0.1781E-32 1.0129 0.1900E-32 0.1876E-32 H2,gas 0.1078E-10 1.0006 0.1136E-10 0.1135E-10 H2S,gas 0.2107E-26 0.9959 0.2210E-26 0.2219E-26 S2,gas 0.1347E-50 1.0000 0.1418E-50 0.1418E-50 CO,gas 0.3376E-17 1.0000 0.3556E-17 0.3556E-17 SO3,gas 0.3829E-31 1.0000 0.4033E-31 0.4033E-31 SO2,gas 0.1645E-19 1.0000 0.1733E-19 0.1733E-19 HCl,gas 0.9076E-13 1.0000 0.9558E-13 0.9558E-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 12.60 12.60 0.00 0.000 -0.11007E-07 65 diaspore 2.90 3.78 0.89 0.148 -0.15138E+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 1.98 0.00 -1.98 -1.984 0.33882E+04 0.016 2 CO2,gas -6.36 -11.28 -4.92 -1.639 0.83969E+04 -2.918 3 CH4,gas 4.81 -29.91 -34.72 -8.680 0.59286E+05 -32.721 4 H2,gas 8.29 -4.66 -12.94 -7.397 0.22103E+05 -10.945 5 H2S,gas -5.94 -34.60 -28.66 -14.328 0.48929E+05 -26.656 6 S2,gas -7.03 -59.88 -52.85 -8.130 0.90237E+05 -50.848 7 CO,gas 3.51 -15.94 -19.45 -5.984 0.33209E+05 -17.449 8 SO3,gas 17.43 -15.97 -33.39 -8.349 0.57020E+05 -31.394 9 SO2,gas 1.14 -20.62 -21.76 -5.803 0.37157E+05 -19.761 10 HCl,gas 5.48 -9.54 -15.02 -7.510 0.25646E+05 -13.020 21 andalusite 5.06 1.58 -3.48 -0.348 0.59414E+04 24 anhydrite -5.28 -9.52 -4.24 -2.121 0.72422E+04 51 chloritoid-Fe 9.24 5.55 -3.69 -0.246 0.62938E+04 54 coesite -2.37 -5.98 -3.61 -1.204 0.61696E+04 59 corundum 8.43 7.57 -0.87 -0.079 0.14822E+04 61 cristobalite -2.55 -5.98 -3.43 -1.144 0.58625E+04 83 gibbsite 4.10 3.78 -0.31 -0.045 0.53734E+03 98 kaolinite -1.27 -4.40 -3.13 -0.284 0.53389E+04 99 kyanite 4.93 1.58 -3.35 -0.335 0.57182E+04 107 magnetite 20.13 16.57 -3.57 -0.291 0.60876E+04 129 perovskite-Al 12.40 7.57 -4.83 -0.439 0.82472E+04 147 quartz -2.98 -5.98 -3.00 -1.000 0.51235E+04 156 siderite -2.59 -7.31 -4.72 -1.574 0.80650E+04 157 sillimanite 5.32 1.58 -3.74 -0.374 0.63836E+04 178 topaz-H 4.67 1.58 -3.08 -0.280 0.52672E+04 179 tridymite -2.61 -5.98 -3.37 -1.123 0.57508E+04 193 akaganeite 7.77 6.30 -1.47 -0.318 0.25082E+04 200 chalcedony -2.79 -5.98 -3.19 -1.063 0.54438E+04 215 gypsum -4.92 -9.52 -4.60 -1.149 0.78489E+04 234 boehmite 4.43 3.78 -0.65 -0.108 0.11046E+04 241 silica-amorphous -2.08 -5.98 -3.90 -1.301 0.66640E+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 = 100.00 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 = .2362678E-03 Osmotic coef. = 0.9908 True ionic strength = .2316156E-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+ 0.21827E-05 -5.6610 0.21009E-05 -5.6776 0.96252E+00 -0.0166 2 H2O 0.10000E+01 0.0000 0.10000E+01 0.0000 3 Cl- 0.13796E-03 -3.8602 0.13278E-03 -3.8769 0.96242E+00 -0.0166 4 SO4-- 0.25364E-04 -4.5958 0.22964E-04 -4.6390 0.90537E+00 -0.0432 5 HCO3- 0.25741E-05 -5.5894 0.24775E-05 -5.6060 0.96245E+00 -0.0166 6 HS- 0.19235E-28 -28.7159 0.18512E-28 -28.7325 0.96242E+00 -0.0166 7 Al+++ 0.89299E-14 -14.0492 0.72995E-14 -14.1367 0.81743E+00 -0.0875 8 H4SiO4 0.10408E-05 -5.9826 0.10408E-05 -5.9826 0.10000E+01 0.0000 9 Ca++ 0.14488E-04 -4.8390 0.13115E-04 -4.8822 0.90526E+00 -0.0432 10 Mg++ 0.79332E-07 -7.1006 0.71810E-07 -7.1438 0.90519E+00 -0.0433 11 Fe++ 0.48402E-07 -7.3151 0.43814E-07 -7.3584 0.90520E+00 -0.0433 12 K+ 0.21224E-07 -7.6732 0.20427E-07 -7.6898 0.96245E+00 -0.0166 13 Na+ 0.16019E-03 -3.7954 0.15417E-03 -3.8120 0.96242E+00 -0.0166 14 Mn++ 0.17201E-08 -8.7645 0.15570E-08 -8.8077 0.90522E+00 -0.0432 15 HPO4-- 0.16588E-10 -10.7802 0.15018E-10 -10.8234 0.90537E+00 -0.0432 16 HSiO3- 0.50222E-09 -9.2991 0.48334E-09 -9.3157 0.96242E+00 -0.0166 17 Ca(HSiO3)+ 0.14757E-12 -12.8310 0.14203E-12 -12.8476 0.96245E+00 -0.0166 18 Mg(HSiO3)+ 0.10056E-14 -14.9976 0.96781E-15 -15.0142 0.96245E+00 -0.0166 19 NaHSiO3,aq 0.11835E-11 -11.9268 0.11835E-11 -11.9268 0.10000E+01 0.0000 20 AlO+ 0.22183E-09 -9.6540 0.21350E-09 -9.6706 0.96245E+00 -0.0166 21 AlOH+2 0.24822E-11 -11.6052 0.22469E-11 -11.6484 0.90523E+00 -0.0432 22 HAlO2,aq 0.20336E-07 -7.6917 0.20336E-07 -7.6917 0.10000E+01 0.0000 23 AlO2- 0.22459E-07 -7.6486 0.21614E-07 -7.6653 0.96239E+00 -0.0166 30 CO2,aq 0.10495E-04 -4.9790 0.10494E-04 -4.9791 0.99993E+00 0.0000 31 CO3-2 0.12043E-09 -9.9193 0.10903E-09 -9.9624 0.90534E+00 -0.0432 32 CaCO3,aq 0.17514E-10 -10.7566 0.17514E-10 -10.7566 0.10000E+01 0.0000 33 Ca(HCO3)+ 0.85067E-09 -9.0702 0.81873E-09 -9.0869 0.96245E+00 -0.0166 34 CaCl+ 0.28833E-08 -8.5401 0.27750E-08 -8.5567 0.96245E+00 -0.0166 35 CaCl2,aq 0.85792E-13 -13.0666 0.85792E-13 -13.0666 0.10000E+01 0.0000 36 CaOH+ 0.45737E-09 -9.3397 0.44020E-09 -9.3564 0.96245E+00 -0.0166 37 CaSO4,aq 0.93841E-07 -7.0276 0.93841E-07 -7.0276 0.10000E+01 0.0000 38 HCl,aq 0.52471E-10 -10.2801 0.52471E-10 -10.2801 0.10000E+01 0.0000 42 Fe+3 0.94883E-19 -19.0228 0.77564E-19 -19.1103 0.81747E+00 -0.0875 43 FeCl+ 0.94144E-11 -11.0262 0.90609E-11 -11.0428 0.96245E+00 -0.0166 44 FeCl2,aq 0.37314E-19 -19.4281 0.37314E-19 -19.4281 0.10000E+01 0.0000 46 FeO,aq 0.39254E-12 -12.4061 0.39254E-12 -12.4061 0.10000E+01 0.0000 47 FeOH+ 0.71836E-09 -9.1437 0.69139E-09 -9.1603 0.96245E+00 -0.0166 48 HFeO2- 0.20882E-14 -14.6802 0.20097E-14 -14.6969 0.96242E+00 -0.0166 49 FeO+ 0.18057E-10 -10.7434 0.17379E-10 -10.7600 0.96245E+00 -0.0166 50 FeOH+2 0.75052E-14 -14.1246 0.67940E-14 -14.1679 0.90523E+00 -0.0432 51 FeO2- 0.80409E-12 -12.0947 0.77387E-12 -12.1113 0.96242E+00 -0.0166 52 HFeO2,aq 0.20347E-09 -9.6915 0.20347E-09 -9.6915 0.10000E+01 0.0000 53 H2,aq 0.93734E-14 -14.0281 0.93728E-14 -14.0281 0.99993E+00 0.0000 54 KCl,aq 0.48025E-13 -13.3185 0.48025E-13 -13.3185 0.10000E+01 0.0000 55 KHSO4,aq 0.26371E-17 -17.5789 0.26371E-17 -17.5789 0.10000E+01 0.0000 56 KOH,aq 0.42387E-14 -14.3728 0.42387E-14 -14.3728 0.10000E+01 0.0000 57 KSO4- 0.75090E-11 -11.1244 0.72268E-11 -11.1411 0.96242E+00 -0.0166 58 MgCO3,aq 0.23962E-13 -13.6205 0.23962E-13 -13.6205 0.10000E+01 0.0000 59 Mg(HCO3)+ 0.47495E-11 -11.3233 0.45712E-11 -11.3400 0.96245E+00 -0.0166 60 MgCl+ 0.14331E-10 -10.8437 0.13793E-10 -10.8603 0.96245E+00 -0.0166 61 MgOH+ 0.13874E-10 -10.8578 0.13353E-10 -10.8744 0.96245E+00 -0.0166 63 MnO,aq 0.37240E-15 -15.4290 0.37240E-15 -15.4290 0.10000E+01 0.0000 64 MnOH+ 0.23715E-11 -11.6250 0.22825E-11 -11.6416 0.96245E+00 -0.0166 69 MnCl+ 0.13001E-11 -11.8860 0.12512E-11 -11.9027 0.96245E+00 -0.0166 70 MnSO4,aq 0.10133E-10 -10.9943 0.10133E-10 -10.9943 0.10000E+01 0.0000 71 NaCl,aq 0.66842E-08 -8.1750 0.66842E-08 -8.1750 0.10000E+01 0.0000 72 NaOH,aq 0.32245E-10 -10.4915 0.32245E-10 -10.4915 0.10000E+01 0.0000 74 OH- 0.29667E-06 -6.5277 0.28552E-06 -6.5444 0.96239E+00 -0.0166 82 H3PO4,aq 0.42674E-12 -12.3698 0.42674E-12 -12.3698 0.10000E+01 0.0000 83 H2PO4- 0.57474E-09 -9.2405 0.55315E-09 -9.2572 0.96244E+00 -0.0166 84 PO4-3 0.76306E-17 -17.1174 0.62428E-17 -17.2046 0.81813E+00 -0.0872 87 H2P2O7-2 0.26452E-19 -19.5775 0.23947E-19 -19.6207 0.90534E+00 -0.0432 97 SO3-2 0.32408E-19 -19.4894 0.29347E-19 -19.5324 0.90556E+00 -0.0431 98 HSO3- 0.37490E-17 -17.4261 0.36081E-17 -17.4427 0.96242E+00 -0.0166 99 HSO4- 0.46510E-07 -7.3325 0.44764E-07 -7.3491 0.96247E+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+ 0.2182691E-05 0.1227447E-04 0.1237180E-01 0.0000 2 H2O 0.1000000E+01 0.5550824E+02 0.9999875E+06 0.0000 3 Cl- 0.1379645E-03 0.1379742E-03 0.4891548E+01 1.8007 4 SO4-- 0.2536410E-04 0.2550449E-04 0.2449978E+01 6.7162 5 HCO3- 0.2574141E-05 0.1307000E-04 0.7974866E+00 0.0716 6 HS- 0.1923505E-28 -.2779006E-10 -.9190637E-06 -23.0549 7 Al+++ 0.8929852E-14 0.4301903E-07 0.1160706E-02 2.8961 8 H4SiO4 0.1040775E-05 0.1041278E-05 0.1000819E+00 -5.9826 9 Ca++ 0.1448802E-04 0.1458607E-04 0.5845747E+00 6.4730 10 Mg++ 0.7933209E-07 0.7936507E-07 0.1929504E-02 4.2114 11 Fe++ 0.4840194E-07 0.4935245E-07 0.2756158E-02 3.9968 12 K+ 0.2122386E-07 0.2123142E-07 0.8301826E-03 -2.0122 13 Na+ 0.1601898E-03 0.1601965E-03 0.3682848E+01 1.8656 14 Mn++ 0.1720054E-08 0.1733859E-08 0.9525381E-04 2.5475 15 HPO4-- 0.1658765E-10 0.5917577E-09 0.5679573E-04 0.5318 Component Tot moles Aq. moles Solid moles Gas moles 1 H+ 0.1138415E-04 0.1227447E-04 -.8903186E-06 0.0000000E+00 2 H2O 0.5550825E+02 0.5550825E+02 0.5880587E-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 0.2743551E-08 0.0000000E+00 5 HCO3- 0.1307000E-04 0.1307000E-04 0.0000000E+00 0.0000000E+00 6 HS- -.2771341E-08 -.2779007E-10 -.2743551E-08 0.0000000E+00 7 Al+++ 0.3260742E-06 0.4301903E-07 0.2830551E-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 0.4935245E-07 0.2194841E-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: 0.3970E-22 Mass of aqueous solution: 0.100001E+04 g Temperature = 100.00 C Pressure = 100.00 bar Mixer frac. = 0.0001000 Log Log Vol Gas or mineral Moles Moles Grams Grams Wt.% (cm3) hematite 0.1097E-07 -7.960 0.1753E-05 -5.756 9.356 0.3322E-06 diaspore 0.2831E-06 -6.548 0.1698E-04 -4.770 90.64 0.5055E-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: 1.0531 bar Gas Mole fraction phi Fugacity Partial P(bar) H2O,gas 0.9989E+00 0.9855 0.1037E+01 0.1052E+01 CO2,gas 0.1132E-02 1.0073 0.1201E-02 0.1193E-02 CH4,gas 0.2905E-32 1.0129 0.3099E-32 0.3060E-32 H2,gas 0.1220E-10 1.0006 0.1286E-10 0.1285E-10 H2S,gas 0.3249E-26 0.9959 0.3408E-26 0.3422E-26 S2,gas 0.2500E-50 1.0000 0.2632E-50 0.2632E-50 CO,gas 0.3798E-17 1.0000 0.4000E-17 0.4000E-17 SO3,gas 0.3598E-31 1.0000 0.3789E-31 0.3789E-31 SO2,gas 0.1750E-19 1.0000 0.1843E-19 0.1843E-19 HCl,gas 0.8797E-13 1.0000 0.9265E-13 0.9265E-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 2.90 2.90 0.00 0.000 -0.22748E-11 90 hematite 12.60 12.60 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 1.98 0.00 -1.98 -1.984 0.33882E+04 0.016 2 CO2,gas -6.36 -11.28 -4.92 -1.640 0.84014E+04 -2.920 3 CH4,gas 4.81 -29.70 -34.51 -8.627 0.58923E+05 -32.509 4 H2,gas 8.29 -4.60 -12.89 -7.366 0.22011E+05 -10.891 5 H2S,gas -5.94 -34.41 -28.47 -14.234 0.48607E+05 -26.467 6 S2,gas -7.03 -59.61 -52.58 -8.089 0.89778E+05 -50.580 7 CO,gas 3.51 -15.89 -19.40 -5.969 0.33121E+05 -17.398 8 SO3,gas 17.43 -15.99 -33.42 -8.355 0.57066E+05 -31.421 9 SO2,gas 1.14 -20.60 -21.73 -5.796 0.37111E+05 -19.735 10 HCl,gas 5.48 -9.55 -15.03 -7.517 0.25669E+05 -13.033 24 anhydrite -5.28 -9.52 -4.24 -2.121 0.72421E+04 54 coesite -2.37 -5.98 -3.61 -1.204 0.61696E+04 59 corundum 8.43 5.79 -2.64 -0.240 0.45099E+04 61 cristobalite -2.55 -5.98 -3.43 -1.144 0.58625E+04 83 gibbsite 4.10 2.90 -1.20 -0.172 0.20512E+04 98 kaolinite -1.27 -6.17 -4.90 -0.445 0.83666E+04 107 magnetite 20.13 16.59 -3.54 -0.289 0.60417E+04 147 quartz -2.98 -5.98 -3.00 -1.000 0.51235E+04 156 siderite -2.59 -7.29 -4.70 -1.566 0.80236E+04 178 topaz-H 4.67 -0.19 -4.86 -0.442 0.82949E+04 179 tridymite -2.61 -5.98 -3.37 -1.123 0.57508E+04 193 akaganeite 7.77 6.30 -1.47 -0.318 0.25082E+04 200 chalcedony -2.79 -5.98 -3.19 -1.063 0.54438E+04 215 gypsum -4.92 -9.52 -4.60 -1.149 0.78489E+04 234 boehmite 4.43 2.90 -1.53 -0.256 0.26184E+04 241 silica-amorphous -2.08 -5.98 -3.90 -1.301 0.66640E+04 Calculations done for 100.0000 Deg. C; 100.0000 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 = 100.00 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 = .2368477E-03 Osmotic coef. = 0.9908 True ionic strength = .2322162E-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+ 0.19002E-05 -5.7212 0.18289E-05 -5.7378 0.96250E+00 -0.0166 2 H2O 0.10000E+01 0.0000 0.10000E+01 0.0000 3 Cl- 0.13796E-03 -3.8602 0.13278E-03 -3.8769 0.96240E+00 -0.0166 4 SO4-- 0.25369E-04 -4.5957 0.22966E-04 -4.6389 0.90527E+00 -0.0432 5 HCO3- 0.28728E-05 -5.5417 0.27649E-05 -5.5583 0.96242E+00 -0.0166 6 HS- 0.38698E-25 -25.4123 0.37243E-25 -25.4290 0.96240E+00 -0.0166 7 Al+++ 0.58925E-14 -14.2297 0.48156E-14 -14.3173 0.81724E+00 -0.0877 8 H4SiO4 0.20814E-05 -5.6816 0.20814E-05 -5.6816 0.10000E+01 0.0000 9 Ca++ 0.14602E-04 -4.8356 0.13217E-04 -4.8789 0.90516E+00 -0.0433 10 Mg++ 0.15866E-06 -6.7995 0.14360E-06 -6.8428 0.90509E+00 -0.0433 11 Fe++ 0.96594E-07 -7.0151 0.87428E-07 -7.0584 0.90511E+00 -0.0433 12 K+ 0.42448E-07 -7.3721 0.40853E-07 -7.3888 0.96243E+00 -0.0166 13 Na+ 0.16032E-03 -3.7950 0.15429E-03 -3.8117 0.96239E+00 -0.0166 14 Mn++ 0.34394E-08 -8.4635 0.31131E-08 -8.5068 0.90512E+00 -0.0433 15 HPO4-- 0.37957E-10 -10.4207 0.34362E-10 -10.4639 0.90528E+00 -0.0432 16 HSiO3- 0.11538E-08 -8.9379 0.11104E-08 -8.9545 0.96240E+00 -0.0166 17 Ca(HSiO3)+ 0.34166E-12 -12.4664 0.32882E-12 -12.4830 0.96243E+00 -0.0166 18 Mg(HSiO3)+ 0.46196E-14 -14.3354 0.44461E-14 -14.3520 0.96243E+00 -0.0166 19 NaHSiO3,aq 0.27209E-11 -11.5653 0.27209E-11 -11.5653 0.10000E+01 0.0000 20 AlO+ 0.19312E-09 -9.7142 0.18586E-09 -9.7308 0.96243E+00 -0.0166 21 AlOH+2 0.18813E-11 -11.7256 0.17028E-11 -11.7688 0.90514E+00 -0.0433 22 HAlO2,aq 0.20336E-07 -7.6917 0.20336E-07 -7.6917 0.10000E+01 0.0000 23 AlO2- 0.25799E-07 -7.5884 0.24828E-07 -7.6051 0.96237E+00 -0.0167 29 CO,aq 0.17064E-19 -19.7679 0.17064E-19 -19.7679 0.10000E+01 0.0000 30 CO2,aq 0.10196E-04 -4.9916 0.10195E-04 -4.9916 0.99993E+00 0.0000 31 CO3-2 0.15441E-09 -9.8113 0.13978E-09 -9.8546 0.90524E+00 -0.0432 32 CaCO3,aq 0.22627E-10 -10.6454 0.22627E-10 -10.6454 0.10000E+01 0.0000 33 Ca(HCO3)+ 0.95675E-09 -9.0192 0.92081E-09 -9.0358 0.96243E+00 -0.0166 34 CaCl+ 0.29057E-08 -8.5368 0.27965E-08 -8.5534 0.96243E+00 -0.0166 35 CaCl2,aq 0.86454E-13 -13.0632 0.86454E-13 -13.0632 0.10000E+01 0.0000 36 CaOH+ 0.52948E-09 -9.2761 0.50959E-09 -9.2928 0.96243E+00 -0.0166 37 CaSO4,aq 0.94580E-07 -7.0242 0.94580E-07 -7.0242 0.10000E+01 0.0000 38 HCl,aq 0.45676E-10 -10.3403 0.45676E-10 -10.3403 0.10000E+01 0.0000 42 Fe+3 0.62610E-19 -19.2034 0.51170E-19 -19.2910 0.81728E+00 -0.0876 43 FeCl+ 0.18786E-10 -10.7262 0.18080E-10 -10.7428 0.96243E+00 -0.0166 44 FeCl2,aq 0.74454E-19 -19.1281 0.74454E-19 -19.1281 0.10000E+01 0.0000 46 FeO,aq 0.10336E-11 -11.9856 0.10336E-11 -11.9856 0.10000E+01 0.0000 47 FeOH+ 0.16467E-08 -8.7834 0.15848E-08 -8.8000 0.96243E+00 -0.0166 48 HFeO2- 0.63163E-14 -14.1995 0.60788E-14 -14.2162 0.96240E+00 -0.0166 49 FeO+ 0.15719E-10 -10.8036 0.15129E-10 -10.8202 0.96243E+00 -0.0166 50 FeOH+2 0.56883E-14 -14.2450 0.51487E-14 -14.2883 0.90514E+00 -0.0433 51 FeO2- 0.92369E-12 -12.0345 0.88896E-12 -12.0511 0.96240E+00 -0.0166 52 HFeO2,aq 0.20347E-09 -9.6915 0.20347E-09 -9.6915 0.10000E+01 0.0000 53 H2,aq 0.64989E-13 -13.1872 0.64984E-13 -13.1872 0.99993E+00 0.0000 54 KCl,aq 0.96045E-13 -13.0175 0.96045E-13 -13.0175 0.10000E+01 0.0000 55 KHSO4,aq 0.45918E-17 -17.3380 0.45918E-17 -17.3380 0.10000E+01 0.0000 56 KOH,aq 0.97379E-14 -14.0115 0.97379E-14 -14.0115 0.10000E+01 0.0000 57 KSO4- 0.15020E-10 -10.8233 0.14455E-10 -10.8400 0.96240E+00 -0.0166 58 MgCO3,aq 0.61430E-13 -13.2116 0.61430E-13 -13.2116 0.10000E+01 0.0000 59 Mg(HCO3)+ 0.10600E-10 -10.9747 0.10202E-10 -10.9913 0.96243E+00 -0.0166 60 MgCl+ 0.28659E-10 -10.5427 0.27582E-10 -10.5594 0.96243E+00 -0.0166 61 MgOH+ 0.31870E-10 -10.4966 0.30673E-10 -10.5132 0.96243E+00 -0.0166 63 MnO,aq 0.98249E-15 -15.0077 0.98249E-15 -15.0077 0.10000E+01 0.0000 64 MnOH+ 0.54469E-11 -11.2639 0.52423E-11 -11.2805 0.96243E+00 -0.0166 69 MnCl+ 0.25993E-11 -11.5851 0.25017E-11 -11.6018 0.96243E+00 -0.0166 70 MnSO4,aq 0.20262E-10 -10.6933 0.20262E-10 -10.6933 0.10000E+01 0.0000 71 NaCl,aq 0.66891E-08 -8.1746 0.66891E-08 -8.1746 0.10000E+01 0.0000 72 NaOH,aq 0.37069E-10 -10.4310 0.37069E-10 -10.4310 0.10000E+01 0.0000 74 OH- 0.34080E-06 -6.4675 0.32798E-06 -6.4842 0.96237E+00 -0.0167 82 H3PO4,aq 0.73995E-12 -12.1308 0.73995E-12 -12.1308 0.10000E+01 0.0000 83 H2PO4- 0.11448E-08 -8.9413 0.11018E-08 -8.9579 0.96241E+00 -0.0166 84 PO4-3 0.20060E-16 -16.6977 0.16408E-16 -16.7849 0.81794E+00 -0.0873 87 H2P2O7-2 0.10495E-18 -18.9790 0.95008E-19 -19.0222 0.90524E+00 -0.0432 88 HP2O7-3 0.13034E-19 -19.8849 0.10652E-19 -19.9726 0.81725E+00 -0.0876 96 SO2,aq 0.20915E-19 -19.6795 0.20915E-19 -19.6795 0.10000E+01 0.0000 97 SO3-2 0.22474E-18 -18.6483 0.20349E-18 -18.6915 0.90547E+00 -0.0431 98 HSO3- 0.22631E-16 -16.6453 0.21780E-16 -16.6619 0.96240E+00 -0.0166 99 HSO4- 0.40494E-07 -7.3926 0.38973E-07 -7.4092 0.96244E+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+ 0.1900156E-05 0.1162848E-04 0.1172069E-01 0.0000 2 H2O 0.1000000E+01 0.5550824E+02 0.9999874E+06 0.0000 3 Cl- 0.1379645E-03 0.1379742E-03 0.4891548E+01 1.8609 4 SO4-- 0.2536936E-04 0.2550449E-04 0.2449977E+01 6.8367 5 HCO3- 0.2872839E-05 0.1307000E-04 0.7974865E+00 0.1795 6 HS- 0.3869780E-25 -.2749871E-10 -.9094281E-06 -19.6911 7 Al+++ 0.5892548E-14 0.4633040E-07 0.1250051E-02 2.8961 8 H4SiO4 0.2081400E-05 0.2082556E-05 0.2001637E+00 -5.6816 9 Ca++ 0.1460209E-04 0.1470109E-04 0.5891841E+00 6.5968 10 Mg++ 0.1586589E-06 0.1587301E-06 0.3859008E-02 4.6328 11 Fe++ 0.9659362E-07 0.9848024E-07 0.5499770E-02 4.4173 12 K+ 0.4244772E-07 0.4246284E-07 0.1660365E-02 -1.6510 13 Na+ 0.1603153E-03 0.1603220E-03 0.3685734E+01 1.9261 14 Mn++ 0.3439410E-08 0.3467719E-08 0.1905076E-03 2.9688 15 HPO4-- 0.3795727E-10 0.1183515E-08 0.1135915E-03 1.0117 Component Tot moles Aq. moles Solid moles Gas moles 1 H+ 0.9728297E-05 0.1162848E-04 -.1900181E-05 0.0000000E+00 2 H2O 0.5550825E+02 0.5550825E+02 0.1255757E-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 0.5515183E-08 0.0000000E+00 5 HCO3- 0.1307000E-04 0.1307000E-04 0.0000000E+00 0.0000000E+00 6 HS- -.5542682E-08 -.2749872E-10 -.5515183E-08 0.0000000E+00 7 Al+++ 0.6521483E-06 0.4633041E-07 0.6058179E-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 0.9848026E-07 0.4412146E-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: -.1853E-21 Mass of aqueous solution: 0.100001E+04 g Temperature = 100.00 C Pressure = 100.00 bar Mixer frac. = 0.0002000 Log Log Vol Gas or mineral Moles Moles Grams Grams Wt.% (cm3) diaspore 0.6058E-06 -6.218 0.3634E-04 -4.440 91.16 0.1082E-04 hematite 0.2206E-07 -7.656 0.3523E-05 -5.453 8.837 0.6678E-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: 1.0531 bar Gas Mole fraction phi Fugacity Partial P(bar) H2O,gas 0.9989E+00 0.9855 0.1037E+01 0.1052E+01 CO2,gas 0.1100E-02 1.0073 0.1167E-02 0.1159E-02 CH4,gas 0.6522E-29 1.0129 0.6957E-29 0.6869E-29 H2,gas 0.8459E-10 1.0006 0.8913E-10 0.8908E-10 H2S,gas 0.5691E-23 0.9959 0.5969E-23 0.5993E-23 S2,gas 0.1595E-45 1.0000 0.1680E-45 0.1680E-45 CO,gas 0.2558E-16 1.0000 0.2694E-16 0.2694E-16 SO3,gas 0.2727E-31 1.0000 0.2872E-31 0.2872E-31 SO2,gas 0.9195E-19 1.0000 0.9683E-19 0.9683E-19 HCl,gas 0.7658E-13 1.0000 0.8065E-13 0.8065E-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 2.90 2.90 0.00 0.000 0.75827E-12 90 hematite 12.60 12.60 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 1.98 0.00 -1.98 -1.984 0.33882E+04 0.016 2 CO2,gas -6.36 -11.30 -4.93 -1.644 0.84228E+04 -2.933 3 CH4,gas 4.81 -26.35 -31.16 -7.789 0.53201E+05 -29.158 4 H2,gas 8.29 -3.76 -12.05 -6.886 0.20575E+05 -10.050 5 H2S,gas -5.94 -31.17 -25.22 -12.612 0.43069E+05 -23.224 6 S2,gas -7.03 -54.81 -47.77 -7.350 0.81574E+05 -45.775 7 CO,gas 3.51 -15.06 -18.57 -5.714 0.31707E+05 -16.570 8 SO3,gas 17.43 -16.11 -33.54 -8.385 0.57272E+05 -31.542 9 SO2,gas 1.14 -19.88 -21.01 -5.604 0.35881E+05 -19.014 10 HCl,gas 5.48 -9.61 -15.09 -7.547 0.25772E+05 -13.093 21 andalusite 5.06 0.11 -4.95 -0.495 0.84551E+04 24 anhydrite -5.28 -9.52 -4.24 -2.119 0.72363E+04 51 chloritoid-Fe 9.24 4.53 -4.71 -0.314 0.80437E+04 54 coesite -2.37 -5.68 -3.31 -1.104 0.56557E+04 59 corundum 8.43 5.79 -2.64 -0.240 0.45099E+04 61 cristobalite -2.55 -5.68 -3.13 -1.044 0.53485E+04 83 gibbsite 4.10 2.90 -1.20 -0.172 0.20512E+04 98 kaolinite -1.27 -5.57 -4.30 -0.391 0.73387E+04 99 kyanite 4.93 0.11 -4.82 -0.482 0.82319E+04 107 magnetite 20.13 17.01 -3.12 -0.255 0.53237E+04 147 quartz -2.98 -5.68 -2.70 -0.900 0.46096E+04 156 siderite -2.59 -6.88 -4.29 -1.430 0.73271E+04 178 topaz-H 4.67 0.11 -4.56 -0.414 0.77810E+04 179 tridymite -2.61 -5.68 -3.07 -1.022 0.52369E+04 193 akaganeite 7.77 6.30 -1.47 -0.318 0.25082E+04 200 chalcedony -2.79 -5.68 -2.89 -0.962 0.49299E+04 215 gypsum -4.92 -9.52 -4.59 -1.148 0.78431E+04 234 boehmite 4.43 2.90 -1.53 -0.256 0.26184E+04 241 silica-amorphous -2.08 -5.68 -3.60 -1.201 0.61501E+04 Calculations done for 100.0000 Deg. C; 100.0000 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 = 100.00 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 = .2374301E-03 Osmotic coef. = 0.9908 True ionic strength = .2328500E-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+ 0.16521E-05 -5.7820 0.15901E-05 -5.7986 0.96247E+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 0.96237E+00 -0.0167 4 SO4-- 0.25374E-04 -4.5956 0.22968E-04 -4.6389 0.90518E+00 -0.0433 5 HCO3- 0.31987E-05 -5.4950 0.30784E-05 -5.5117 0.96239E+00 -0.0166 6 HS- 0.79202E-23 -23.1013 0.76222E-23 -23.1179 0.96237E+00 -0.0167 7 Al+++ 0.38737E-14 -14.4119 0.31650E-14 -14.4996 0.81704E+00 -0.0878 8 H4SiO4 0.31218E-05 -5.5056 0.31218E-05 -5.5056 0.10000E+01 0.0000 9 Ca++ 0.14716E-04 -4.8322 0.13319E-04 -4.8755 0.90506E+00 -0.0433 10 Mg++ 0.23798E-06 -6.6235 0.21537E-06 -6.6668 0.90499E+00 -0.0434 11 Fe++ 0.14453E-06 -6.8401 0.13080E-06 -6.8834 0.90501E+00 -0.0433 12 K+ 0.63672E-07 -7.1961 0.61277E-07 -7.2127 0.96240E+00 -0.0166 13 Na+ 0.16044E-03 -3.7947 0.15440E-03 -3.8113 0.96237E+00 -0.0167 14 Mn++ 0.51579E-08 -8.2875 0.46680E-08 -8.3309 0.90502E+00 -0.0433 15 HPO4-- 0.65182E-10 -10.1859 0.59002E-10 -10.2291 0.90518E+00 -0.0433 16 HSiO3- 0.19904E-08 -8.7011 0.19155E-08 -8.7177 0.96237E+00 -0.0167 17 Ca(HSiO3)+ 0.59395E-12 -12.2262 0.57162E-12 -12.2429 0.96240E+00 -0.0166 18 Mg(HSiO3)+ 0.11953E-13 -13.9225 0.11503E-13 -13.9392 0.96240E+00 -0.0166 19 NaHSiO3,aq 0.46974E-11 -11.3281 0.46974E-11 -11.3281 0.10000E+01 0.0000 20 AlO+ 0.16791E-09 -9.7749 0.16160E-09 -9.7916 0.96240E+00 -0.0166 21 AlOH+2 0.14222E-11 -11.8470 0.12872E-11 -11.8904 0.90504E+00 -0.0433 22 HAlO2,aq 0.20336E-07 -7.6917 0.20336E-07 -7.6917 0.10000E+01 0.0000 23 AlO2- 0.29674E-07 -7.5276 0.28557E-07 -7.5443 0.96234E+00 -0.0167 29 CO,aq 0.64699E-19 -19.1891 0.64699E-19 -19.1891 0.10000E+01 0.0000 30 CO2,aq 0.98700E-05 -5.0057 0.98693E-05 -5.0057 0.99993E+00 0.0000 31 CO3-2 0.19776E-09 -9.7039 0.17900E-09 -9.7472 0.90514E+00 -0.0433 32 CaCO3,aq 0.29199E-10 -10.5346 0.29199E-10 -10.5346 0.10000E+01 0.0000 33 Ca(HCO3)+ 0.10735E-08 -8.9692 0.10331E-08 -8.9859 0.96240E+00 -0.0166 34 CaCl+ 0.29280E-08 -8.5334 0.28179E-08 -8.5501 0.96240E+00 -0.0166 35 CaCl2,aq 0.87115E-13 -13.0599 0.87115E-13 -13.0599 0.10000E+01 0.0000 36 CaOH+ 0.61370E-09 -9.2120 0.59063E-09 -9.2287 0.96240E+00 -0.0166 37 CaSO4,aq 0.95315E-07 -7.0208 0.95315E-07 -7.0208 0.10000E+01 0.0000 38 HCl,aq 0.39712E-10 -10.4011 0.39712E-10 -10.4011 0.10000E+01 0.0000 42 Fe+3 0.41160E-19 -19.3855 0.33631E-19 -19.4733 0.81708E+00 -0.0877 43 FeCl+ 0.28105E-10 -10.5512 0.27048E-10 -10.5679 0.96240E+00 -0.0166 44 FeCl2,aq 0.11138E-18 -18.9532 0.11138E-18 -18.9532 0.10000E+01 0.0000 46 FeO,aq 0.20456E-11 -11.6892 0.20456E-11 -11.6892 0.10000E+01 0.0000 47 FeOH+ 0.28335E-08 -8.5477 0.27270E-08 -8.5643 0.96240E+00 -0.0166 48 HFeO2- 0.14378E-13 -13.8423 0.13837E-13 -13.8590 0.96237E+00 -0.0167 49 FeO+ 0.13668E-10 -10.8643 0.13154E-10 -10.8810 0.96240E+00 -0.0166 50 FeOH+2 0.43004E-14 -14.3665 0.38920E-14 -14.4098 0.90504E+00 -0.0433 51 FeO2- 0.10624E-11 -11.9737 0.10225E-11 -11.9904 0.96237E+00 -0.0167 52 HFeO2,aq 0.20347E-09 -9.6915 0.20347E-09 -9.6915 0.10000E+01 0.0000 53 H2,aq 0.25455E-12 -12.5942 0.25453E-12 -12.5943 0.99993E+00 0.0000 54 KCl,aq 0.14406E-12 -12.8415 0.14406E-12 -12.8415 0.10000E+01 0.0000 55 KHSO4,aq 0.59887E-17 -17.2227 0.59887E-17 -17.2227 0.10000E+01 0.0000 56 KOH,aq 0.16800E-13 -13.7747 0.16800E-13 -13.7747 0.10000E+01 0.0000 57 KSO4- 0.22531E-10 -10.6472 0.21683E-10 -10.6639 0.96237E+00 -0.0167 58 MgCO3,aq 0.11798E-12 -12.9282 0.11798E-12 -12.9282 0.10000E+01 0.0000 59 Mg(HCO3)+ 0.17701E-10 -10.7520 0.17035E-10 -10.7687 0.96240E+00 -0.0166 60 MgCl+ 0.42982E-10 -10.3667 0.41366E-10 -10.3834 0.96240E+00 -0.0166 61 MgOH+ 0.54977E-10 -10.2598 0.52910E-10 -10.2765 0.96240E+00 -0.0166 63 MnO,aq 0.19489E-14 -14.7102 0.19489E-14 -14.7102 0.10000E+01 0.0000 64 MnOH+ 0.93943E-11 -11.0271 0.90411E-11 -11.0438 0.96240E+00 -0.0166 69 MnCl+ 0.38976E-11 -11.4092 0.37511E-11 -11.4258 0.96240E+00 -0.0166 70 MnSO4,aq 0.30385E-10 -10.5173 0.30385E-10 -10.5173 0.10000E+01 0.0000 71 NaCl,aq 0.66940E-08 -8.1743 0.66940E-08 -8.1743 0.10000E+01 0.0000 72 NaOH,aq 0.42667E-10 -10.3699 0.42667E-10 -10.3699 0.10000E+01 0.0000 74 OH- 0.39199E-06 -6.4067 0.37723E-06 -6.4234 0.96234E+00 -0.0167 82 H3PO4,aq 0.96044E-12 -12.0175 0.96044E-12 -12.0175 0.10000E+01 0.0000 83 H2PO4- 0.17091E-08 -8.7672 0.16448E-08 -8.7839 0.96239E+00 -0.0167 84 PO4-3 0.39627E-16 -16.4020 0.32404E-16 -16.4894 0.81774E+00 -0.0874 87 H2P2O7-2 0.23394E-18 -18.6309 0.21175E-18 -18.6742 0.90514E+00 -0.0433 88 HP2O7-3 0.33420E-19 -19.4760 0.27306E-19 -19.5637 0.81705E+00 -0.0878 96 SO2,aq 0.61931E-19 -19.2081 0.61931E-19 -19.2081 0.10000E+01 0.0000 97 SO3-2 0.88043E-18 -18.0553 0.79711E-18 -18.0985 0.90537E+00 -0.0432 98 HSO3- 0.77077E-16 -16.1131 0.74176E-16 -16.1297 0.96237E+00 -0.0167 99 HSO4- 0.35210E-07 -7.4533 0.33887E-07 -7.4700 0.96242E+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+ 0.1652118E-05 0.1098088E-04 0.1106795E-01 0.0000 2 H2O 0.1000000E+01 0.5550824E+02 0.9999872E+06 0.0000 3 Cl- 0.1379644E-03 0.1379742E-03 0.4891548E+01 1.9217 4 SO4-- 0.2537389E-04 0.2550450E-04 0.2449977E+01 6.9583 5 HCO3- 0.3198675E-05 0.1307000E-04 0.7974865E+00 0.2869 6 HS- 0.7920175E-23 -.2721198E-10 -.8999453E-06 -17.3194 7 Al+++ 0.3873730E-14 0.5017968E-07 0.1353909E-02 2.8961 8 H4SiO4 0.3121839E-05 0.3123835E-05 0.3002455E+00 -5.5056 9 Ca++ 0.1471614E-04 0.1481610E-04 0.5937936E+00 6.7216 10 Mg++ 0.2379794E-06 0.2380952E-06 0.5788511E-02 4.9303 11 Fe++ 0.1445262E-06 0.1476081E-06 0.8243383E-02 4.7137 12 K+ 0.6367157E-07 0.6369426E-07 0.2490547E-02 -1.4141 13 Na+ 0.1604408E-03 0.1604476E-03 0.3688619E+01 1.9872 14 Mn++ 0.5157900E-08 0.5201579E-08 0.2857614E-03 3.2663 15 HPO4-- 0.6518222E-10 0.1775273E-08 0.1703872E-03 1.3680 Component Tot moles Aq. moles Solid moles Gas moles 1 H+ 0.8072445E-05 0.1098088E-04 -.2908431E-05 0.0000000E+00 2 H2O 0.5550825E+02 0.5550824E+02 0.1922380E-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 0.8286811E-08 0.0000000E+00 5 HCO3- 0.1307000E-04 0.1307000E-04 0.0000000E+00 0.0000000E+00 6 HS- -.8314023E-08 -.2721198E-10 -.8286811E-08 0.0000000E+00 7 Al+++ 0.9782225E-06 0.5017969E-07 0.9280428E-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 0.1476081E-06 0.6629448E-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: -.2912E-21 Mass of aqueous solution: 0.100001E+04 g Temperature = 100.00 C Pressure = 100.00 bar Mixer frac. = 0.0003000 Log Log Vol Gas or mineral Moles Moles Grams Grams Wt.% (cm3) diaspore 0.9280E-06 -6.032 0.5567E-04 -4.254 91.32 0.1657E-04 hematite 0.3315E-07 -7.480 0.5294E-05 -5.276 8.683 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: 1.0531 bar Gas Mole fraction phi Fugacity Partial P(bar) H2O,gas 0.9989E+00 0.9855 0.1037E+01 0.1052E+01 CO2,gas 0.1065E-02 1.0073 0.1130E-02 0.1122E-02 CH4,gas 0.1486E-26 1.0129 0.1585E-26 0.1565E-26 H2,gas 0.3313E-09 1.0006 0.3491E-09 0.3489E-09 H2S,gas 0.1013E-20 0.9959 0.1062E-20 0.1066E-20 S2,gas 0.3292E-42 1.0000 0.3467E-42 0.3467E-42 CO,gas 0.9701E-16 1.0000 0.1022E-15 0.1022E-15 SO3,gas 0.2062E-31 1.0000 0.2171E-31 0.2171E-31 SO2,gas 0.2723E-18 1.0000 0.2867E-18 0.2867E-18 HCl,gas 0.6659E-13 1.0000 0.7012E-13 0.7012E-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 2.90 2.90 0.00 0.000 0.37914E-11 90 hematite 12.60 12.60 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 1.98 0.00 -1.98 -1.984 0.33882E+04 0.016 2 CO2,gas -6.36 -11.31 -4.95 -1.649 0.84469E+04 -2.947 3 CH4,gas 4.81 -23.99 -28.80 -7.200 0.49175E+05 -26.800 4 H2,gas 8.29 -3.17 -11.46 -6.547 0.19563E+05 -9.457 5 H2S,gas -5.94 -28.92 -22.97 -11.487 0.39227E+05 -20.974 6 S2,gas -7.03 -51.49 -44.46 -6.840 0.75914E+05 -42.460 7 CO,gas 3.51 -14.48 -17.99 -5.536 0.30719E+05 -15.991 8 SO3,gas 17.43 -16.24 -33.66 -8.416 0.57479E+05 -31.663 9 SO2,gas 1.14 -19.41 -20.54 -5.478 0.35076E+05 -18.543 10 HCl,gas 5.48 -9.68 -15.15 -7.577 0.25875E+05 -13.154 21 andalusite 5.06 0.29 -4.78 -0.478 0.81545E+04 24 anhydrite -5.28 -9.51 -4.23 -2.117 0.72306E+04 51 chloritoid-Fe 9.24 5.00 -4.24 -0.283 0.72369E+04 54 coesite -2.37 -5.51 -3.14 -1.045 0.53550E+04 59 corundum 8.43 5.79 -2.64 -0.240 0.45099E+04 61 cristobalite -2.55 -5.51 -2.96 -0.985 0.50479E+04 83 gibbsite 4.10 2.90 -1.20 -0.172 0.20512E+04 98 kaolinite -1.27 -5.22 -3.95 -0.359 0.67374E+04 99 kyanite 4.93 0.29 -4.65 -0.465 0.79313E+04 107 magnetite 20.13 17.31 -2.82 -0.230 0.48175E+04 147 quartz -2.98 -5.51 -2.52 -0.841 0.43090E+04 156 siderite -2.59 -6.60 -4.01 -1.336 0.68450E+04 178 topaz-H 4.67 0.29 -4.38 -0.398 0.74804E+04 179 tridymite -2.61 -5.51 -2.89 -0.964 0.49363E+04 193 akaganeite 7.77 6.30 -1.47 -0.318 0.25082E+04 200 chalcedony -2.79 -5.51 -2.71 -0.904 0.46293E+04 215 gypsum -4.92 -9.51 -4.59 -1.148 0.78373E+04 234 boehmite 4.43 2.90 -1.53 -0.256 0.26184E+04 241 silica-amorphous -2.08 -5.51 -3.43 -1.142 0.58495E+04 Calculations done for 100.0000 Deg. C; 100.0000 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 = 100.00 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 = .2380151E-03 Osmotic coef. = 0.9908 True ionic strength = .2335148E-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+ 0.14364E-05 -5.8427 0.13825E-05 -5.8593 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 0.96234E+00 -0.0167 4 SO4-- 0.25378E-04 -4.5955 0.22969E-04 -4.6389 0.90507E+00 -0.0433 5 HCO3- 0.35487E-05 -5.4499 0.34151E-05 -5.4666 0.96237E+00 -0.0167 6 HS- 0.63007E-21 -21.2006 0.60635E-21 -21.2173 0.96235E+00 -0.0167 7 Al+++ 0.25464E-14 -14.5941 0.20800E-14 -14.6819 0.81683E+00 -0.0879 8 H4SiO4 0.41621E-05 -5.3807 0.41621E-05 -5.3807 0.10000E+01 0.0000 9 Ca++ 0.14830E-04 -4.8289 0.13421E-04 -4.8722 0.90496E+00 -0.0434 10 Mg++ 0.31729E-06 -6.4985 0.28711E-06 -6.5419 0.90489E+00 -0.0434 11 Fe++ 0.19215E-06 -6.7164 0.17387E-06 -6.7598 0.90491E+00 -0.0434 12 K+ 0.84895E-07 -7.0711 0.81701E-07 -7.0878 0.96237E+00 -0.0167 13 Na+ 0.16057E-03 -3.7943 0.15452E-03 -3.8110 0.96234E+00 -0.0167 14 Mn++ 0.68753E-08 -8.1627 0.62216E-08 -8.2061 0.90492E+00 -0.0434 15 HPO4-- 0.99430E-10 -10.0025 0.89991E-10 -10.0458 0.90508E+00 -0.0433 16 HSiO3- 0.30523E-08 -8.5154 0.29373E-08 -8.5320 0.96234E+00 -0.0167 17 Ca(HSiO3)+ 0.91777E-12 -12.0373 0.88324E-12 -12.0539 0.96237E+00 -0.0167 18 Mg(HSiO3)+ 0.24435E-13 -13.6120 0.23516E-13 -13.6286 0.96237E+00 -0.0167 19 NaHSiO3,aq 0.72086E-11 -11.1421 0.72086E-11 -11.1421 0.10000E+01 0.0000 20 AlO+ 0.14599E-09 -9.8357 0.14049E-09 -9.8523 0.96237E+00 -0.0167 21 AlOH+2 0.10752E-11 -11.9685 0.97297E-12 -12.0119 0.90493E+00 -0.0434 22 HAlO2,aq 0.20336E-07 -7.6917 0.20336E-07 -7.6917 0.10000E+01 0.0000 23 AlO2- 0.34132E-07 -7.4668 0.32846E-07 -7.4835 0.96231E+00 -0.0167 29 CO,aq 0.19300E-18 -18.7144 0.19300E-18 -18.7144 0.10000E+01 0.0000 30 CO2,aq 0.95198E-05 -5.0214 0.95191E-05 -5.0214 0.99993E+00 0.0000 31 CO3-2 0.25237E-09 -9.5980 0.22840E-09 -9.6413 0.90504E+00 -0.0433 32 CaCO3,aq 0.37543E-10 -10.4255 0.37543E-10 -10.4255 0.10000E+01 0.0000 33 Ca(HCO3)+ 0.12000E-08 -8.9208 0.11549E-08 -8.9375 0.96237E+00 -0.0167 34 CaCl+ 0.29504E-08 -8.5301 0.28394E-08 -8.5468 0.96237E+00 -0.0167 35 CaCl2,aq 0.87775E-13 -13.0566 0.87775E-13 -13.0566 0.10000E+01 0.0000 36 CaOH+ 0.71128E-09 -9.1480 0.68452E-09 -9.1646 0.96237E+00 -0.0167 37 CaSO4,aq 0.96046E-07 -7.0175 0.96046E-07 -7.0175 0.10000E+01 0.0000 38 HCl,aq 0.34525E-10 -10.4619 0.34525E-10 -10.4619 0.10000E+01 0.0000 42 Fe+3 0.27056E-19 -19.5677 0.22102E-19 -19.6556 0.81687E+00 -0.0878 43 FeCl+ 0.37361E-10 -10.4276 0.35955E-10 -10.4442 0.96237E+00 -0.0167 44 FeCl2,aq 0.14806E-18 -18.8296 0.14806E-18 -18.8296 0.10000E+01 0.0000 46 FeO,aq 0.35975E-11 -11.4440 0.35975E-11 -11.4440 0.10000E+01 0.0000 47 FeOH+ 0.43326E-08 -8.3633 0.41696E-08 -8.3799 0.96237E+00 -0.0167 48 HFeO2- 0.29085E-13 -13.5363 0.27989E-13 -13.5530 0.96234E+00 -0.0167 49 FeO+ 0.11883E-10 -10.9251 0.11436E-10 -10.9417 0.96237E+00 -0.0167 50 FeOH+2 0.32510E-14 -14.4880 0.29419E-14 -14.5314 0.90493E+00 -0.0434 51 FeO2- 0.12220E-11 -11.9129 0.11760E-11 -11.9296 0.96234E+00 -0.0167 52 HFeO2,aq 0.20347E-09 -9.6915 0.20347E-09 -9.6915 0.10000E+01 0.0000 53 H2,aq 0.78728E-12 -12.1039 0.78722E-12 -12.1039 0.99993E+00 0.0000 54 KCl,aq 0.19207E-12 -12.7165 0.19207E-12 -12.7165 0.10000E+01 0.0000 55 KHSO4,aq 0.69423E-17 -17.1585 0.69423E-17 -17.1585 0.10000E+01 0.0000 56 KOH,aq 0.25763E-13 -13.5890 0.25763E-13 -13.5890 0.10000E+01 0.0000 57 KSO4- 0.30042E-10 -10.5223 0.28911E-10 -10.5389 0.96234E+00 -0.0167 58 MgCO3,aq 0.20069E-12 -12.6975 0.20069E-12 -12.6975 0.10000E+01 0.0000 59 Mg(HCO3)+ 0.26179E-10 -10.5820 0.25194E-10 -10.5987 0.96237E+00 -0.0167 60 MgCl+ 0.57300E-10 -10.2418 0.55144E-10 -10.2585 0.96237E+00 -0.0167 61 MgOH+ 0.84301E-10 -10.0742 0.81130E-10 -10.0908 0.96237E+00 -0.0167 63 MnO,aq 0.34364E-14 -14.4639 0.34364E-14 -14.4639 0.10000E+01 0.0000 64 MnOH+ 0.14402E-10 -10.8416 0.13860E-10 -10.8582 0.96237E+00 -0.0167 66 HMnO2- 0.19354E-19 -19.7132 0.18625E-19 -19.7299 0.96234E+00 -0.0167 69 MnCl+ 0.51949E-11 -11.2844 0.49994E-11 -11.3011 0.96237E+00 -0.0167 70 MnSO4,aq 0.40499E-10 -10.3926 0.40499E-10 -10.3926 0.10000E+01 0.0000 71 NaCl,aq 0.66988E-08 -8.1740 0.66988E-08 -8.1740 0.10000E+01 0.0000 72 NaOH,aq 0.49113E-10 -10.3088 0.49113E-10 -10.3088 0.10000E+01 0.0000 74 OH- 0.45088E-06 -6.3459 0.43388E-06 -6.3626 0.96231E+00 -0.0167 82 H3PO4,aq 0.11073E-11 -11.9557 0.11073E-11 -11.9557 0.10000E+01 0.0000 83 H2PO4- 0.22665E-08 -8.6446 0.21812E-08 -8.6613 0.96236E+00 -0.0167 84 PO4-3 0.69536E-16 -16.1578 0.56848E-16 -16.2453 0.81753E+00 -0.0875 87 H2P2O7-2 0.41142E-18 -18.3857 0.37235E-18 -18.4291 0.90504E+00 -0.0433 88 HP2O7-3 0.67612E-19 -19.1700 0.55228E-19 -19.2578 0.81684E+00 -0.0879 96 SO2,aq 0.14479E-18 -18.8393 0.14479E-18 -18.8393 0.10000E+01 0.0000 97 SO3-2 0.27234E-17 -17.5649 0.24654E-17 -17.6081 0.90527E+00 -0.0432 98 HSO3- 0.20727E-15 -15.6835 0.19946E-15 -15.7001 0.96234E+00 -0.0167 99 HSO4- 0.30614E-07 -7.5141 0.29463E-07 -7.5307 0.96239E+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+ 0.1436425E-05 0.1033152E-04 0.1041344E-01 0.0000 2 H2O 0.1000000E+01 0.5550824E+02 0.9999871E+06 0.0000 3 Cl- 0.1379644E-03 0.1379742E-03 0.4891547E+01 1.9824 4 SO4-- 0.2537774E-04 0.2550450E-04 0.2449977E+01 7.0798 5 HCO3- 0.3548659E-05 0.1307000E-04 0.7974864E+00 0.3927 6 HS- 0.6300729E-21 -.2687554E-10 -.8888185E-06 -15.3579 7 Al+++ 0.2546417E-14 0.5461522E-07 0.1473585E-02 2.8961 8 H4SiO4 0.4162053E-05 0.4165113E-05 0.4003273E+00 -5.3807 9 Ca++ 0.1483017E-04 0.1493112E-04 0.5984030E+00 6.8465 10 Mg++ 0.3172923E-06 0.3174603E-06 0.7718014E-02 5.1767 11 Fe++ 0.1921454E-06 0.1967355E-06 0.1098697E-01 4.9589 12 K+ 0.8489543E-07 0.8492569E-07 0.3320729E-02 -1.2284 13 Na+ 0.1605663E-03 0.1605731E-03 0.3691505E+01 2.0483 14 Mn++ 0.6875339E-08 0.6935438E-08 0.3810151E-03 3.5126 15 HPO4-- 0.9942967E-10 0.2367031E-08 0.2271829E-03 1.6729 Component Tot moles Aq. moles Solid moles Gas moles 1 H+ 0.6416594E-05 0.1033152E-04 -.3914922E-05 0.0000000E+00 2 H2O 0.5550825E+02 0.5550824E+02 0.2587831E-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 0.1105849E-07 0.0000000E+00 5 HCO3- 0.1307000E-04 0.1307000E-04 0.0000000E+00 0.0000000E+00 6 HS- -.1108536E-07 -.2687554E-10 -.1105849E-07 0.0000000E+00 7 Al+++ 0.1304297E-05 0.5461522E-07 0.1249681E-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 0.1967355E-06 0.8846790E-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: -.5823E-21 Mass of aqueous solution: 0.100001E+04 g Temperature = 100.00 C Pressure = 100.00 bar Mixer frac. = 0.0004000 Log Log Vol Gas or mineral Moles Moles Grams Grams Wt.% (cm3) diaspore 0.1250E-05 -5.903 0.7497E-04 -4.125 91.39 0.2232E-04 hematite 0.4423E-07 -7.354 0.7064E-05 -5.151 8.611 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: 1.0530 bar Gas Mole fraction phi Fugacity Partial P(bar) H2O,gas 0.9990E+00 0.9855 0.1037E+01 0.1052E+01 CO2,gas 0.1027E-02 1.0073 0.1090E-02 0.1082E-02 CH4,gas 0.1312E-24 1.0129 0.1399E-24 0.1381E-24 H2,gas 0.1025E-08 1.0006 0.1080E-08 0.1079E-08 H2S,gas 0.7004E-19 0.9959 0.7346E-19 0.7376E-19 S2,gas 0.1646E-39 1.0000 0.1734E-39 0.1734E-39 CO,gas 0.2894E-15 1.0000 0.3048E-15 0.3048E-15 SO3,gas 0.1559E-31 1.0000 0.1641E-31 0.1641E-31 SO2,gas 0.6366E-18 1.0000 0.6704E-18 0.6704E-18 HCl,gas 0.5789E-13 1.0000 0.6096E-13 0.6096E-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 2.90 2.90 0.00 0.000 -0.53079E-11 90 hematite 12.60 12.60 0.00 0.000 -0.53807E-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 1.98 0.00 -1.98 -1.984 0.33882E+04 0.016 2 CO2,gas -6.36 -11.33 -4.96 -1.654 0.84737E+04 -2.963 3 CH4,gas 4.81 -22.05 -26.85 -6.714 0.45853E+05 -24.854 4 H2,gas 8.29 -2.68 -10.97 -6.267 0.18725E+05 -8.967 5 H2S,gas -5.94 -27.08 -21.13 -10.567 0.36086E+05 -19.134 6 S2,gas -7.03 -48.79 -41.76 -6.425 0.71306E+05 -39.761 7 CO,gas 3.51 -14.01 -17.52 -5.390 0.29908E+05 -15.516 8 SO3,gas 17.43 -16.36 -33.78 -8.446 0.57687E+05 -31.785 9 SO2,gas 1.14 -19.04 -20.17 -5.380 0.34446E+05 -18.174 10 HCl,gas 5.48 -9.74 -15.21 -7.607 0.25979E+05 -13.215 21 andalusite 5.06 0.41 -4.65 -0.465 0.79413E+04 24 anhydrite -5.28 -9.51 -4.23 -2.116 0.72249E+04 51 chloritoid-Fe 9.24 5.37 -3.87 -0.258 0.66050E+04 54 coesite -2.37 -5.38 -3.01 -1.004 0.51418E+04 59 corundum 8.43 5.79 -2.64 -0.240 0.45099E+04 61 cristobalite -2.55 -5.38 -2.83 -0.944 0.48347E+04 83 gibbsite 4.10 2.90 -1.20 -0.172 0.20512E+04 98 kaolinite -1.27 -4.97 -3.70 -0.336 0.63109E+04 99 kyanite 4.93 0.41 -4.52 -0.452 0.77180E+04 107 magnetite 20.13 17.56 -2.58 -0.210 0.43989E+04 147 quartz -2.98 -5.38 -2.40 -0.800 0.40957E+04 156 siderite -2.59 -6.37 -3.78 -1.260 0.64531E+04 157 sillimanite 5.32 0.41 -4.91 -0.491 0.83834E+04 178 topaz-H 4.67 0.41 -4.26 -0.387 0.72671E+04 179 tridymite -2.61 -5.38 -2.77 -0.922 0.47230E+04 193 akaganeite 7.77 6.30 -1.47 -0.318 0.25082E+04 200 chalcedony -2.79 -5.38 -2.59 -0.862 0.44160E+04 215 gypsum -4.92 -9.51 -4.59 -1.147 0.78316E+04 234 boehmite 4.43 2.90 -1.53 -0.256 0.26184E+04 236 ferrous-oxide 9.82 4.96 -4.87 -1.216 0.83074E+04 241 silica-amorphous -2.08 -5.38 -3.30 -1.100 0.56362E+04 Calculations done for 100.0000 Deg. C; 100.0000 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 = 100.00 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 = .2386030E-03 Osmotic coef. = 0.9907 True ionic strength = .2342076E-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+ 0.12501E-05 -5.9030 0.12031E-05 -5.9197 0.96242E+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 0.96231E+00 -0.0167 4 SO4-- 0.25381E-04 -4.5955 0.22969E-04 -4.6389 0.90497E+00 -0.0434 5 HCO3- 0.39190E-05 -5.4068 0.37714E-05 -5.4235 0.96234E+00 -0.0167 6 HS- 0.29372E-19 -19.5321 0.28265E-19 -19.5488 0.96232E+00 -0.0167 7 Al+++ 0.16789E-14 -14.7750 0.13710E-14 -14.8630 0.81661E+00 -0.0880 8 H4SiO4 0.52020E-05 -5.2838 0.52020E-05 -5.2838 0.10000E+01 0.0000 9 Ca++ 0.14944E-04 -4.8255 0.13522E-04 -4.8690 0.90485E+00 -0.0434 10 Mg++ 0.39660E-06 -6.4017 0.35883E-06 -6.4451 0.90478E+00 -0.0435 11 Fe++ 0.23939E-06 -6.6209 0.21660E-06 -6.6643 0.90480E+00 -0.0434 12 K+ 0.10612E-06 -6.9742 0.10212E-06 -6.9909 0.96234E+00 -0.0167 13 Na+ 0.16069E-03 -3.7940 0.15464E-03 -3.8107 0.96231E+00 -0.0167 14 Mn++ 0.85915E-08 -8.0659 0.77737E-08 -8.1094 0.90481E+00 -0.0434 15 HPO4-- 0.14194E-09 -9.8479 0.12846E-09 -9.8912 0.90497E+00 -0.0434 16 HSiO3- 0.43837E-08 -8.3582 0.42185E-08 -8.3748 0.96231E+00 -0.0167 17 Ca(HSiO3)+ 0.13281E-11 -11.8768 0.12781E-11 -11.8934 0.96235E+00 -0.0167 18 Mg(HSiO3)+ 0.43860E-13 -13.3579 0.42208E-13 -13.3746 0.96235E+00 -0.0167 19 NaHSiO3,aq 0.10360E-10 -10.9846 0.10360E-10 -10.9846 0.10000E+01 0.0000 20 AlO+ 0.12705E-09 -9.8960 0.12227E-09 -9.9127 0.96235E+00 -0.0167 21 AlOH+2 0.81443E-12 -12.0891 0.73692E-12 -12.1326 0.90483E+00 -0.0434 22 HAlO2,aq 0.20336E-07 -7.6917 0.20336E-07 -7.6917 0.10000E+01 0.0000 23 AlO2- 0.39221E-07 -7.4065 0.37741E-07 -7.4232 0.96228E+00 -0.0167 29 CO,aq 0.50180E-18 -18.2995 0.50180E-18 -18.2995 0.10000E+01 0.0000 30 CO2,aq 0.91493E-05 -5.0386 0.91486E-05 -5.0386 0.99993E+00 0.0000 31 CO3-2 0.32027E-09 -9.4945 0.28982E-09 -9.5379 0.90493E+00 -0.0434 32 CaCO3,aq 0.48000E-10 -10.3188 0.48000E-10 -10.3188 0.10000E+01 0.0000 33 Ca(HCO3)+ 0.13353E-08 -8.8744 0.12850E-08 -8.8911 0.96235E+00 -0.0167 34 CaCl+ 0.29727E-08 -8.5268 0.28608E-08 -8.5435 0.96235E+00 -0.0167 35 CaCl2,aq 0.88434E-13 -13.0534 0.88434E-13 -13.0534 0.10000E+01 0.0000 36 CaOH+ 0.82351E-09 -9.0843 0.79250E-09 -9.1010 0.96235E+00 -0.0167 37 CaSO4,aq 0.96773E-07 -7.0142 0.96773E-07 -7.0142 0.10000E+01 0.0000 38 HCl,aq 0.30046E-10 -10.5222 0.30046E-10 -10.5222 0.10000E+01 0.0000 42 Fe+3 0.17839E-19 -19.7486 0.14568E-19 -19.8366 0.81666E+00 -0.0880 43 FeCl+ 0.46542E-10 -10.3322 0.44790E-10 -10.3488 0.96235E+00 -0.0167 44 FeCl2,aq 0.18443E-18 -18.7342 0.18443E-18 -18.7342 0.10000E+01 0.0000 46 FeO,aq 0.59171E-11 -11.2279 0.59171E-11 -11.2279 0.10000E+01 0.0000 47 FeOH+ 0.62019E-08 -8.2075 0.59684E-08 -8.2241 0.96235E+00 -0.0167 48 HFeO2- 0.54970E-13 -13.2599 0.52898E-13 -13.2766 0.96231E+00 -0.0167 49 FeO+ 0.10342E-10 -10.9854 0.99526E-11 -11.0021 0.96235E+00 -0.0167 50 FeOH+2 0.24626E-14 -14.6086 0.22282E-14 -14.6520 0.90483E+00 -0.0434 51 FeO2- 0.14042E-11 -11.8526 0.13513E-11 -11.8692 0.96231E+00 -0.0167 52 HFeO2,aq 0.20347E-09 -9.6915 0.20347E-09 -9.6915 0.10000E+01 0.0000 53 H2,aq 0.21298E-11 -11.6717 0.21297E-11 -11.6717 0.99993E+00 0.0000 54 KCl,aq 0.24007E-12 -12.6197 0.24007E-12 -12.6197 0.10000E+01 0.0000 55 KHSO4,aq 0.75520E-17 -17.1219 0.75520E-17 -17.1219 0.10000E+01 0.0000 56 KOH,aq 0.37003E-13 -13.4318 0.37003E-13 -13.4318 0.10000E+01 0.0000 57 KSO4- 0.37553E-10 -10.4254 0.36138E-10 -10.4420 0.96231E+00 -0.0167 58 MgCO3,aq 0.31828E-12 -12.4972 0.31828E-12 -12.4972 0.10000E+01 0.0000 59 Mg(HCO3)+ 0.36133E-10 -10.4421 0.34772E-10 -10.4588 0.96235E+00 -0.0167 60 MgCl+ 0.71613E-10 -10.1450 0.68917E-10 -10.1617 0.96235E+00 -0.0167 61 MgOH+ 0.12107E-09 -9.9170 0.11651E-09 -9.9336 0.96235E+00 -0.0167 63 MnO,aq 0.56690E-14 -14.2465 0.56690E-14 -14.2465 0.10000E+01 0.0000 64 MnOH+ 0.20677E-10 -10.6845 0.19899E-10 -10.7012 0.96235E+00 -0.0167 66 HMnO2- 0.36688E-19 -19.4355 0.35305E-19 -19.4522 0.96231E+00 -0.0167 69 MnCl+ 0.64908E-11 -11.1877 0.62464E-11 -11.2044 0.96235E+00 -0.0167 70 MnSO4,aq 0.50602E-10 -10.2958 0.50602E-10 -10.2958 0.10000E+01 0.0000 71 NaCl,aq 0.67036E-08 -8.1737 0.67036E-08 -8.1737 0.10000E+01 0.0000 72 NaOH,aq 0.56475E-10 -10.2481 0.56475E-10 -10.2481 0.10000E+01 0.0000 74 OH- 0.51810E-06 -6.2856 0.49856E-06 -6.3023 0.96228E+00 -0.0167 82 H3PO4,aq 0.11971E-11 -11.9219 0.11971E-11 -11.9219 0.10000E+01 0.0000 83 H2PO4- 0.28156E-08 -8.5504 0.27096E-08 -8.5671 0.96233E+00 -0.0167 84 PO4-3 0.11408E-15 -15.9428 0.93240E-16 -16.0304 0.81731E+00 -0.0876 87 H2P2O7-2 0.63497E-18 -18.1972 0.57461E-18 -18.2406 0.90493E+00 -0.0434 88 HP2O7-3 0.11992E-18 -18.9211 0.97931E-19 -19.0091 0.81662E+00 -0.0880 90 H2S,aq 0.10218E-18 -18.9906 0.10218E-18 -18.9907 0.99993E+00 0.0000 96 SO2,aq 0.29667E-18 -18.5277 0.29667E-18 -18.5277 0.10000E+01 0.0000 97 SO3-2 0.73685E-17 -17.1326 0.66697E-17 -17.1759 0.90516E+00 -0.0433 98 HSO3- 0.48800E-15 -15.3116 0.46961E-15 -15.3283 0.96231E+00 -0.0167 99 HSO4- 0.26644E-07 -7.5744 0.25641E-07 -7.5911 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+ 0.1250132E-05 0.9680256E-05 0.9757014E-02 0.0000 2 H2O 0.1000000E+01 0.5550824E+02 0.9999870E+06 0.0000 3 Cl- 0.1379644E-03 0.1379742E-03 0.4891547E+01 2.0428 4 SO4-- 0.2538096E-04 0.2550450E-04 0.2449977E+01 7.2005 5 HCO3- 0.3918992E-05 0.1307000E-04 0.7974864E+00 0.4962 6 HS- 0.2937157E-19 -.2636987E-10 -.8720950E-06 -13.6291 7 Al+++ 0.1678906E-14 0.5968464E-07 0.1610364E-02 2.8961 8 H4SiO4 0.5201996E-05 0.5206392E-05 0.5004091E+00 -5.2838 9 Ca++ 0.1494418E-04 0.1504613E-04 0.6030125E+00 6.9704 10 Mg++ 0.3965962E-06 0.3968254E-06 0.9647517E-02 5.3943 11 Fe++ 0.2393920E-06 0.2458616E-06 0.1373049E-01 5.1750 12 K+ 0.1061193E-06 0.1061571E-06 0.4150911E-02 -1.0712 13 Na+ 0.1606919E-03 0.1606986E-03 0.3694390E+01 2.1090 14 Mn++ 0.8591522E-08 0.8669298E-08 0.4762689E-03 3.7300 15 HPO4-- 0.1419443E-09 0.2958788E-08 0.2839785E-03 1.9481 Component Tot moles Aq. moles Solid moles Gas moles 1 H+ 0.4760742E-05 0.9680256E-05 -.4919514E-05 0.0000000E+00 2 H2O 0.5550824E+02 0.5550824E+02 0.3252015E-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 0.1383033E-07 0.0000000E+00 5 HCO3- 0.1307000E-04 0.1307000E-04 0.0000000E+00 0.0000000E+00 6 HS- -.1385670E-07 -.2636987E-10 -.1383033E-07 0.0000000E+00 7 Al+++ 0.1630371E-05 0.5968464E-07 0.1570686E-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 0.2458616E-06 0.1106427E-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: 0.2647E-21 Mass of aqueous solution: 0.100001E+04 g Temperature = 100.00 C Pressure = 100.00 bar Mixer frac. = 0.0005000 Log Log Vol Gas or mineral Moles Moles Grams Grams Wt.% (cm3) diaspore 0.1571E-05 -5.804 0.9423E-04 -4.026 91.43 0.2805E-04 hematite 0.5532E-07 -7.257 0.8835E-05 -5.054 8.572 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: 1.0530 bar Gas Mole fraction phi Fugacity Partial P(bar) H2O,gas 0.9990E+00 0.9855 0.1037E+01 0.1052E+01 CO2,gas 0.9873E-03 1.0073 0.1047E-02 0.1040E-02 CH4,gas 0.6752E-23 1.0129 0.7202E-23 0.7110E-23 H2,gas 0.2772E-08 1.0006 0.2921E-08 0.2919E-08 H2S,gas 0.2842E-17 0.9959 0.2980E-17 0.2992E-17 S2,gas 0.3702E-37 1.0000 0.3898E-37 0.3898E-37 CO,gas 0.7525E-15 1.0000 0.7924E-15 0.7924E-15 SO3,gas 0.1180E-31 1.0000 0.1243E-31 0.1243E-31 SO2,gas 0.1304E-17 1.0000 0.1374E-17 0.1374E-17 HCl,gas 0.5038E-13 1.0000 0.5305E-13 0.5305E-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 2.90 2.90 0.00 0.000 -0.53079E-11 90 hematite 12.60 12.60 0.00 0.000 -0.21232E-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 1.98 0.00 -1.98 -1.984 0.33882E+04 0.016 2 CO2,gas -6.36 -11.34 -4.98 -1.660 0.85032E+04 -2.980 3 CH4,gas 4.81 -20.33 -25.14 -6.286 0.42930E+05 -23.143 4 H2,gas 8.29 -2.25 -10.53 -6.020 0.17987E+05 -8.534 5 H2S,gas -5.94 -25.47 -19.53 -9.763 0.33340E+05 -17.526 6 S2,gas -7.03 -46.44 -39.41 -6.063 0.67290E+05 -37.409 7 CO,gas 3.51 -13.59 -17.10 -5.262 0.29200E+05 -15.101 8 SO3,gas 17.43 -16.48 -33.91 -8.476 0.57893E+05 -31.906 9 SO2,gas 1.14 -18.73 -19.86 -5.297 0.33914E+05 -17.862 10 HCl,gas 5.48 -9.80 -15.28 -7.638 0.26082E+05 -13.275 21 andalusite 5.06 0.51 -4.55 -0.455 0.77759E+04 24 anhydrite -5.28 -9.51 -4.23 -2.114 0.72193E+04 51 chloritoid-Fe 9.24 5.68 -3.56 -0.237 0.60706E+04 54 coesite -2.37 -5.28 -2.91 -0.971 0.49764E+04 59 corundum 8.43 5.79 -2.64 -0.240 0.45099E+04 61 cristobalite -2.55 -5.28 -2.73 -0.912 0.46693E+04 83 gibbsite 4.10 2.90 -1.20 -0.172 0.20512E+04 98 kaolinite -1.27 -4.78 -3.50 -0.318 0.59802E+04 99 kyanite 4.93 0.51 -4.42 -0.442 0.75527E+04 107 magnetite 20.13 17.77 -2.36 -0.193 0.40299E+04 147 quartz -2.98 -5.28 -2.30 -0.767 0.39303E+04 156 siderite -2.59 -6.17 -3.58 -1.193 0.61136E+04 157 sillimanite 5.32 0.51 -4.81 -0.481 0.82181E+04 178 topaz-H 4.67 0.51 -4.16 -0.378 0.71017E+04 179 tridymite -2.61 -5.28 -2.67 -0.890 0.45576E+04 193 akaganeite 7.77 6.30 -1.47 -0.318 0.25082E+04 200 chalcedony -2.79 -5.28 -2.49 -0.830 0.42506E+04 215 gypsum -4.92 -9.51 -4.58 -1.146 0.78261E+04 234 boehmite 4.43 2.90 -1.53 -0.256 0.26184E+04 236 ferrous-oxide 9.82 5.18 -4.65 -1.162 0.79384E+04 241 silica-amorphous -2.08 -5.28 -3.20 -1.068 0.54708E+04 Calculations done for 100.0000 Deg. C; 100.0000 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 = 100.00 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 = .2391939E-03 Osmotic coef. = 0.9907 True ionic strength = .2349250E-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+ 0.10899E-05 -5.9626 0.10489E-05 -5.9793 0.96239E+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-- 0.25384E-04 -4.5954 0.22969E-04 -4.6389 0.90486E+00 -0.0434 5 HCO3- 0.43054E-05 -5.3660 0.41432E-05 -5.3827 0.96231E+00 -0.0167 6 HS- 0.95885E-18 -18.0182 0.92269E-18 -18.0349 0.96229E+00 -0.0167 7 Al+++ 0.11127E-14 -14.9536 0.90843E-15 -15.0417 0.81639E+00 -0.0881 8 H4SiO4 0.62416E-05 -5.2047 0.62416E-05 -5.2047 0.10000E+01 0.0000 9 Ca++ 0.15058E-04 -4.8222 0.13624E-04 -4.8657 0.90474E+00 -0.0435 10 Mg++ 0.47589E-06 -6.3225 0.43052E-06 -6.3660 0.90467E+00 -0.0435 11 Fe++ 0.28620E-06 -6.5433 0.25892E-06 -6.5868 0.90469E+00 -0.0435 12 K+ 0.12734E-06 -6.8950 0.12254E-06 -6.9117 0.96231E+00 -0.0167 13 Na+ 0.16082E-03 -3.7937 0.15475E-03 -3.8104 0.96228E+00 -0.0167 14 Mn++ 0.10306E-07 -7.9869 0.93240E-08 -8.0304 0.90470E+00 -0.0435 15 HPO4-- 0.19404E-09 -9.7121 0.17558E-09 -9.7555 0.90486E+00 -0.0434 16 HSiO3- 0.60334E-08 -8.2194 0.58058E-08 -8.2361 0.96228E+00 -0.0167 17 Ca(HSiO3)+ 0.18416E-11 -11.7348 0.17722E-11 -11.7515 0.96232E+00 -0.0167 18 Mg(HSiO3)+ 0.72426E-13 -13.1401 0.69696E-13 -13.1568 0.96232E+00 -0.0167 19 NaHSiO3,aq 0.14270E-10 -10.8456 0.14270E-10 -10.8456 0.10000E+01 0.0000 20 AlO+ 0.11077E-09 -9.9556 0.10659E-09 -9.9723 0.96232E+00 -0.0167 21 AlOH+2 0.61907E-12 -12.2083 0.56009E-12 -12.2517 0.90472E+00 -0.0435 22 HAlO2,aq 0.20336E-07 -7.6917 0.20336E-07 -7.6917 0.10000E+01 0.0000 23 AlO2- 0.44989E-07 -7.3469 0.43291E-07 -7.3636 0.96225E+00 -0.0167 29 CO,aq 0.11889E-17 -17.9249 0.11889E-17 -17.9249 0.10000E+01 0.0000 30 CO2,aq 0.87626E-05 -5.0574 0.87619E-05 -5.0574 0.99993E+00 0.0000 31 CO3-2 0.40363E-09 -9.3940 0.36521E-09 -9.4375 0.90482E+00 -0.0434 32 CaCO3,aq 0.60939E-10 -10.2151 0.60939E-10 -10.2151 0.10000E+01 0.0000 33 Ca(HCO3)+ 0.14779E-08 -8.8303 0.14223E-08 -8.8470 0.96232E+00 -0.0167 34 CaCl+ 0.29950E-08 -8.5236 0.28822E-08 -8.5403 0.96232E+00 -0.0167 35 CaCl2,aq 0.89092E-13 -13.0502 0.89092E-13 -13.0502 0.10000E+01 0.0000 36 CaOH+ 0.95173E-09 -9.0215 0.91586E-09 -9.0382 0.96232E+00 -0.0167 37 CaSO4,aq 0.97498E-07 -7.0110 0.97498E-07 -7.0110 0.10000E+01 0.0000 38 HCl,aq 0.26193E-10 -10.5818 0.26193E-10 -10.5818 0.10000E+01 0.0000 42 Fe+3 0.11823E-19 -19.9273 0.96529E-20 -20.0153 0.81643E+00 -0.0881 43 FeCl+ 0.55636E-10 -10.2546 0.53539E-10 -10.2713 0.96232E+00 -0.0167 44 FeCl2,aq 0.22045E-18 -18.6567 0.22045E-18 -18.6567 0.10000E+01 0.0000 46 FeO,aq 0.93064E-11 -11.0312 0.93064E-11 -11.0312 0.10000E+01 0.0000 47 FeOH+ 0.85042E-08 -8.0704 0.81837E-08 -8.0870 0.96232E+00 -0.0167 48 HFeO2- 0.99173E-13 -13.0036 0.95433E-13 -13.0203 0.96228E+00 -0.0167 49 FeO+ 0.90164E-11 -11.0450 0.86767E-11 -11.0616 0.96232E+00 -0.0167 50 FeOH+2 0.18719E-14 -14.7277 0.16935E-14 -14.7712 0.90472E+00 -0.0435 51 FeO2- 0.16108E-11 -11.7930 0.15500E-11 -11.8097 0.96228E+00 -0.0167 52 HFeO2,aq 0.20347E-09 -9.6915 0.20347E-09 -9.6915 0.10000E+01 0.0000 53 H2,aq 0.52686E-11 -11.2783 0.52682E-11 -11.2783 0.99993E+00 0.0000 54 KCl,aq 0.28807E-12 -12.5405 0.28807E-12 -12.5405 0.10000E+01 0.0000 55 KHSO4,aq 0.79003E-17 -17.1024 0.79003E-17 -17.1024 0.10000E+01 0.0000 56 KOH,aq 0.50932E-13 -13.2930 0.50932E-13 -13.2930 0.10000E+01 0.0000 57 KSO4- 0.45063E-10 -10.3462 0.43364E-10 -10.3629 0.96228E+00 -0.0167 58 MgCO3,aq 0.48120E-12 -12.3177 0.48120E-12 -12.3177 0.10000E+01 0.0000 59 Mg(HCO3)+ 0.47626E-10 -10.3222 0.45831E-10 -10.3388 0.96232E+00 -0.0167 60 MgCl+ 0.85921E-10 -10.0659 0.82683E-10 -10.0826 0.96232E+00 -0.0167 61 MgOH+ 0.16662E-09 -9.7783 0.16034E-09 -9.7950 0.96232E+00 -0.0167 63 MnO,aq 0.89464E-14 -14.0484 0.89464E-14 -14.0484 0.10000E+01 0.0000 64 MnOH+ 0.28449E-10 -10.5459 0.27377E-10 -10.5626 0.96232E+00 -0.0167 66 HMnO2- 0.66415E-19 -19.1777 0.63910E-19 -19.1944 0.96228E+00 -0.0167 69 MnCl+ 0.77853E-11 -11.1087 0.74919E-11 -11.1254 0.96232E+00 -0.0167 70 MnSO4,aq 0.60693E-10 -10.2169 0.60693E-10 -10.2169 0.10000E+01 0.0000 71 NaCl,aq 0.67085E-08 -8.1734 0.67085E-08 -8.1734 0.10000E+01 0.0000 72 NaOH,aq 0.64829E-10 -10.1882 0.64829E-10 -10.1882 0.10000E+01 0.0000 74 OH- 0.59430E-06 -6.2260 0.57187E-06 -6.2427 0.96225E+00 -0.0167 82 H3PO4,aq 0.12436E-11 -11.9053 0.12436E-11 -11.9053 0.10000E+01 0.0000 83 H2PO4- 0.33553E-08 -8.4743 0.32288E-08 -8.4910 0.96230E+00 -0.0167 84 PO4-3 0.17891E-15 -15.7474 0.14619E-15 -15.8351 0.81709E+00 -0.0877 87 H2P2O7-2 0.90173E-18 -18.0449 0.81591E-18 -18.0884 0.90482E+00 -0.0434 88 HP2O7-3 0.19538E-18 -18.7091 0.15950E-18 -18.7972 0.81639E+00 -0.0881 90 H2S,aq 0.29081E-17 -17.5364 0.29078E-17 -17.5364 0.99993E+00 0.0000 96 SO2,aq 0.55776E-18 -18.2536 0.55776E-18 -18.2536 0.10000E+01 0.0000 97 SO3-2 0.18229E-16 -16.7392 0.16499E-16 -16.7826 0.90505E+00 -0.0433 98 HSO3- 0.10524E-14 -14.9778 0.10127E-14 -14.9945 0.96228E+00 -0.0167 99 HSO4- 0.23229E-07 -7.6340 0.22354E-07 -7.6506 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+ 0.1089898E-05 0.9026954E-05 0.9098531E-02 0.0000 2 H2O 0.1000000E+01 0.5550824E+02 0.9999869E+06 0.0000 3 Cl- 0.1379643E-03 0.1379742E-03 0.4891546E+01 2.1023 4 SO4-- 0.2538364E-04 0.2550450E-04 0.2449977E+01 7.3197 5 HCO3- 0.4305431E-05 0.1307000E-04 0.7974863E+00 0.5966 6 HS- 0.9588489E-18 -.2544508E-10 -.8415106E-06 -12.0557 7 Al+++ 0.1112746E-14 0.6543705E-07 0.1765571E-02 2.8961 8 H4SiO4 0.6241621E-05 0.6247670E-05 0.6004909E+00 -5.2047 9 Ca++ 0.1505816E-04 0.1516115E-04 0.6076219E+00 7.0928 10 Mg++ 0.4758898E-06 0.4761905E-06 0.1157702E-01 5.5925 11 Fe++ 0.2862011E-06 0.2949844E-06 0.1647382E-01 5.3717 12 K+ 0.1273431E-06 0.1273885E-06 0.4981093E-02 -0.9324 13 Na+ 0.1608174E-03 0.1608242E-03 0.3697276E+01 2.1689 14 Mn++ 0.1030622E-07 0.1040316E-07 0.5715226E-03 3.9281 15 HPO4-- 0.1940393E-09 0.3550546E-08 0.3407742E-03 2.2030 Component Tot moles Aq. moles Solid moles Gas moles 1 H+ 0.3104891E-05 0.9026954E-05 -.5922063E-05 0.0000000E+00 2 H2O 0.5550824E+02 0.5550824E+02 0.3914837E-05 0.0000000E+00 3 Cl- 0.1379742E-03 0.1379742E-03 0.0000000E+00 0.0000000E+00 4 SO4-- 0.2552110E-04 0.2550450E-04 0.1660260E-07 0.0000000E+00 5 HCO3- 0.1307000E-04 0.1307000E-04 0.0000000E+00 0.0000000E+00 6 HS- -.1662805E-07 -.2544508E-10 -.1660260E-07 0.0000000E+00 7 Al+++ 0.1956445E-05 0.6543705E-07 0.1891008E-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 0.2949844E-06 0.1328208E-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: 0.5294E-21 Mass of aqueous solution: 0.100001E+04 g Temperature = 100.00 C Pressure = 100.00 bar Mixer frac. = 0.0006000 Log Log Vol Gas or mineral Moles Moles Grams Grams Wt.% (cm3) diaspore 0.1891E-05 -5.723 0.1134E-03 -3.945 91.45 0.3377E-04 hematite 0.6641E-07 -7.178 0.1061E-04 -4.974 8.550 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: 1.0529 bar Gas Mole fraction phi Fugacity Partial P(bar) H2O,gas 0.9991E+00 0.9855 0.1037E+01 0.1052E+01 CO2,gas 0.9456E-03 1.0073 0.1003E-02 0.9957E-03 CH4,gas 0.2422E-21 1.0129 0.2583E-21 0.2550E-21 H2,gas 0.6859E-08 1.0006 0.7226E-08 0.7222E-08 H2S,gas 0.8088E-16 0.9959 0.8481E-16 0.8516E-16 S2,gas 0.4900E-35 1.0000 0.5160E-35 0.5160E-35 CO,gas 0.1783E-14 1.0000 0.1877E-14 0.1877E-14 SO3,gas 0.8972E-32 1.0000 0.9447E-32 0.9447E-32 SO2,gas 0.2453E-17 1.0000 0.2582E-17 0.2582E-17 HCl,gas 0.4392E-13 1.0000 0.4625E-13 0.4625E-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 2.90 2.90 0.00 0.000 0.37914E-11 90 hematite 12.60 12.60 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 1.98 0.00 -1.98 -1.984 0.33882E+04 0.016 2 CO2,gas -6.36 -11.36 -5.00 -1.666 0.85352E+04 -2.999 3 CH4,gas 4.81 -18.78 -23.59 -5.897 0.40276E+05 -21.588 4 H2,gas 8.29 -1.85 -10.14 -5.795 0.17316E+05 -8.141 5 H2S,gas -5.94 -24.01 -18.07 -9.036 0.30857E+05 -16.072 6 S2,gas -7.03 -44.32 -37.29 -5.737 0.63667E+05 -35.287 7 CO,gas 3.51 -13.22 -16.73 -5.147 0.28560E+05 -14.726 8 SO3,gas 17.43 -16.60 -34.02 -8.506 0.58096E+05 -32.025 9 SO2,gas 1.14 -18.45 -19.59 -5.223 0.33446E+05 -17.588 10 HCl,gas 5.48 -9.86 -15.33 -7.667 0.26184E+05 -13.335 21 andalusite 5.06 0.59 -4.47 -0.447 0.76408E+04 24 anhydrite -5.28 -9.50 -4.22 -2.112 0.72138E+04 51 chloritoid-Fe 9.24 5.96 -3.28 -0.219 0.55997E+04 54 coesite -2.37 -5.20 -2.84 -0.945 0.48413E+04 59 corundum 8.43 5.79 -2.64 -0.240 0.45099E+04 61 cristobalite -2.55 -5.20 -2.66 -0.885 0.45342E+04 83 gibbsite 4.10 2.90 -1.20 -0.172 0.20512E+04 98 kaolinite -1.27 -4.62 -3.34 -0.304 0.57099E+04 99 kyanite 4.93 0.59 -4.34 -0.434 0.74175E+04 107 magnetite 20.13 17.97 -2.16 -0.177 0.36941E+04 147 quartz -2.98 -5.20 -2.22 -0.741 0.37952E+04 156 siderite -2.59 -5.99 -3.40 -1.134 0.58098E+04 157 sillimanite 5.32 0.59 -4.73 -0.473 0.80830E+04 178 topaz-H 4.67 0.59 -4.08 -0.371 0.69666E+04 179 tridymite -2.61 -5.20 -2.59 -0.863 0.44225E+04 193 akaganeite 7.77 6.30 -1.47 -0.318 0.25082E+04 200 chalcedony -2.79 -5.20 -2.41 -0.803 0.41155E+04 215 gypsum -4.92 -9.50 -4.58 -1.145 0.78205E+04 234 boehmite 4.43 2.90 -1.53 -0.256 0.26184E+04 236 ferrous-oxide 9.82 5.37 -4.45 -1.113 0.76026E+04 241 silica-amorphous -2.08 -5.20 -3.12 -1.042 0.53357E+04 Calculations done for 100.0000 Deg. C; 100.0000 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 = 100.00 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 = .2397881E-03 Osmotic coef. = 0.9907 True ionic strength = .2356635E-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+ 0.95233E-06 -6.0212 0.91648E-06 -6.0379 0.96236E+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-- 0.25386E-04 -4.5954 0.22968E-04 -4.6389 0.90474E+00 -0.0435 5 HCO3- 0.47036E-05 -5.3276 0.45262E-05 -5.3443 0.96228E+00 -0.0167 6 HS- 0.24070E-16 -16.6185 0.23162E-16 -16.6352 0.96226E+00 -0.0167 7 Al+++ 0.74247E-15 -15.1293 0.60597E-15 -15.2175 0.81615E+00 -0.0882 8 H4SiO4 0.72809E-05 -5.1378 0.72809E-05 -5.1378 0.10000E+01 0.0000 9 Ca++ 0.15172E-04 -4.8190 0.13725E-04 -4.8625 0.90463E+00 -0.0435 10 Mg++ 0.55517E-06 -6.2556 0.50218E-06 -6.2991 0.90456E+00 -0.0436 11 Fe++ 0.33250E-06 -6.4782 0.30077E-06 -6.5218 0.90457E+00 -0.0436 12 K+ 0.14857E-06 -6.8281 0.14296E-06 -6.8448 0.96228E+00 -0.0167 13 Na+ 0.16094E-03 -3.7933 0.15487E-03 -3.8100 0.96225E+00 -0.0167 14 Mn++ 0.12019E-07 -7.9201 0.10872E-07 -7.9637 0.90459E+00 -0.0436 15 HPO4-- 0.25709E-09 -9.5899 0.23260E-09 -9.6334 0.90474E+00 -0.0435 16 HSiO3- 0.80552E-08 -8.0939 0.77511E-08 -8.1106 0.96225E+00 -0.0167 17 Ca(HSiO3)+ 0.24770E-11 -11.6061 0.23836E-11 -11.6228 0.96229E+00 -0.0167 18 Mg(HSiO3)+ 0.11279E-12 -12.9477 0.10854E-12 -12.9644 0.96229E+00 -0.0167 19 NaHSiO3,aq 0.19065E-10 -10.7198 0.19065E-10 -10.7198 0.10000E+01 0.0000 20 AlO+ 0.96787E-10 -10.0142 0.93137E-10 -10.0309 0.96229E+00 -0.0167 21 AlOH+2 0.47268E-12 -12.3254 0.42759E-12 -12.3690 0.90460E+00 -0.0435 22 HAlO2,aq 0.20336E-07 -7.6917 0.20336E-07 -7.6917 0.10000E+01 0.0000 23 AlO2- 0.51492E-07 -7.2883 0.49547E-07 -7.3050 0.96222E+00 -0.0167 29 CO,aq 0.26273E-17 -17.5805 0.26273E-17 -17.5805 0.10000E+01 0.0000 30 CO2,aq 0.83641E-05 -5.0776 0.83635E-05 -5.0776 0.99993E+00 0.0000 31 CO3-2 0.50472E-09 -9.2969 0.45663E-09 -9.3404 0.90471E+00 -0.0435 32 CaCO3,aq 0.76759E-10 -10.1149 0.76759E-10 -10.1149 0.10000E+01 0.0000 33 Ca(HCO3)+ 0.16266E-08 -8.7887 0.15653E-08 -8.8054 0.96229E+00 -0.0167 34 CaCl+ 0.30173E-08 -8.5204 0.29035E-08 -8.5371 0.96229E+00 -0.0167 35 CaCl2,aq 0.89749E-13 -13.0470 0.89749E-13 -13.0470 0.10000E+01 0.0000 36 CaOH+ 0.10974E-08 -8.9596 0.10560E-08 -8.9763 0.96229E+00 -0.0167 37 CaSO4,aq 0.98219E-07 -7.0078 0.98219E-07 -7.0078 0.10000E+01 0.0000 38 HCl,aq 0.22885E-10 -10.6404 0.22885E-10 -10.6404 0.10000E+01 0.0000 43 FeCl+ 0.64628E-10 -10.1896 0.62191E-10 -10.2063 0.96229E+00 -0.0167 44 FeCl2,aq 0.25606E-18 -18.5917 0.25606E-18 -18.5917 0.10000E+01 0.0000 46 FeO,aq 0.14160E-10 -10.8489 0.14160E-10 -10.8489 0.10000E+01 0.0000 47 FeOH+ 0.11306E-07 -7.9467 0.10880E-07 -7.9634 0.96229E+00 -0.0167 48 HFeO2- 0.17271E-12 -12.7627 0.16619E-12 -12.7794 0.96225E+00 -0.0167 49 FeO+ 0.78783E-11 -11.1036 0.75812E-11 -11.1203 0.96229E+00 -0.0167 50 FeOH+2 0.14292E-14 -14.8449 0.12929E-14 -14.8884 0.90460E+00 -0.0435 51 FeO2- 0.18436E-11 -11.7343 0.17740E-11 -11.7511 0.96225E+00 -0.0167 52 HFeO2,aq 0.20347E-09 -9.6915 0.20347E-09 -9.6915 0.10000E+01 0.0000 53 H2,aq 0.12198E-10 -10.9137 0.12197E-10 -10.9138 0.99993E+00 0.0000 54 KCl,aq 0.33606E-12 -12.4736 0.33606E-12 -12.4736 0.10000E+01 0.0000 55 KHSO4,aq 0.80527E-17 -17.0941 0.80527E-17 -17.0941 0.10000E+01 0.0000 56 KOH,aq 0.68005E-13 -13.1675 0.68005E-13 -13.1675 0.10000E+01 0.0000 57 KSO4- 0.52572E-10 -10.2792 0.50587E-10 -10.2960 0.96225E+00 -0.0167 58 MgCO3,aq 0.70179E-12 -12.1538 0.70179E-12 -12.1538 0.10000E+01 0.0000 59 Mg(HCO3)+ 0.60691E-10 -10.2169 0.58402E-10 -10.2336 0.96229E+00 -0.0167 60 MgCl+ 0.10022E-09 -9.9990 0.96443E-10 -10.0157 0.96229E+00 -0.0167 61 MgOH+ 0.22244E-09 -9.6528 0.21405E-09 -9.6695 0.96229E+00 -0.0167 63 MnO,aq 0.13665E-13 -13.8644 0.13665E-13 -13.8644 0.10000E+01 0.0000 64 MnOH+ 0.37968E-10 -10.4206 0.36536E-10 -10.4373 0.96229E+00 -0.0167 66 HMnO2- 0.11610E-18 -18.9352 0.11172E-18 -18.9519 0.96225E+00 -0.0167 69 MnCl+ 0.90781E-11 -11.0420 0.87357E-11 -11.0587 0.96229E+00 -0.0167 70 MnSO4,aq 0.70769E-10 -10.1502 0.70769E-10 -10.1502 0.10000E+01 0.0000 71 NaCl,aq 0.67133E-08 -8.1731 0.67133E-08 -8.1731 0.10000E+01 0.0000 72 NaOH,aq 0.74252E-10 -10.1293 0.74252E-10 -10.1293 0.10000E+01 0.0000 74 OH- 0.68020E-06 -6.1674 0.65450E-06 -6.1841 0.96222E+00 -0.0167 82 H3PO4,aq 0.12578E-11 -11.9004 0.12578E-11 -11.9004 0.10000E+01 0.0000 83 H2PO4- 0.38840E-08 -8.4107 0.37374E-08 -8.4274 0.96227E+00 -0.0167 84 PO4-3 0.27134E-15 -15.5665 0.22165E-15 -15.6543 0.81686E+00 -0.0879 87 H2P2O7-2 0.12084E-17 -17.9178 0.10932E-17 -17.9613 0.90471E+00 -0.0435 88 HP2O7-3 0.29969E-18 -18.5233 0.24460E-18 -18.6115 0.81616E+00 -0.0882 90 H2S,aq 0.63784E-16 -16.1953 0.63779E-16 -16.1953 0.99993E+00 0.0000 96 SO2,aq 0.98580E-18 -18.0062 0.98580E-18 -18.0062 0.10000E+01 0.0000 97 SO3-2 0.42208E-16 -16.3746 0.38196E-16 -16.4180 0.90494E+00 -0.0434 98 HSO3- 0.21290E-14 -14.6718 0.20486E-14 -14.6885 0.96225E+00 -0.0167 99 HSO4- 0.20296E-07 -7.6926 0.19531E-07 -7.7093 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+ 0.9523265E-06 0.8371459E-05 0.8437836E-02 0.0000 2 H2O 0.1000000E+01 0.5550824E+02 0.9999868E+06 0.0000 3 Cl- 0.1379643E-03 0.1379742E-03 0.4891546E+01 2.1609 4 SO4-- 0.2538583E-04 0.2550450E-04 0.2449976E+01 7.4369 5 HCO3- 0.4703616E-05 0.1307000E-04 0.7974862E+00 0.6936 6 HS- 0.2407044E-16 -.2359920E-10 -.7804643E-06 -10.5973 7 Al+++ 0.7424704E-15 0.7192525E-07 0.1940630E-02 2.8961 8 H4SiO4 0.7280872E-05 0.7288949E-05 0.7005726E+00 -5.1378 9 Ca++ 0.1517212E-04 0.1527616E-04 0.6122314E+00 7.2133 10 Mg++ 0.5551714E-06 0.5555556E-06 0.1350652E-01 5.7766 11 Fe++ 0.3325011E-06 0.3440998E-06 0.1921673E-01 5.5540 12 K+ 0.1485670E-06 0.1486200E-06 0.5811275E-02 -0.8069 13 Na+ 0.1609429E-03 0.1609497E-03 0.3700161E+01 2.2278 14 Mn++ 0.1201919E-07 0.1213702E-07 0.6667763E-03 4.1121 15 HPO4-- 0.2570937E-09 0.4142304E-08 0.3975699E-03 2.4424 Component Tot moles Aq. moles Solid moles Gas moles 1 H+ 0.1449039E-05 0.8371458E-05 -.6922418E-05 0.0000000E+00 2 H2O 0.5550824E+02 0.5550824E+02 0.4576194E-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 0.1937579E-07 0.0000000E+00 5 HCO3- 0.1307000E-04 0.1307000E-04 0.0000000E+00 0.0000000E+00 6 HS- -.1939939E-07 -.2359920E-10 -.1937579E-07 0.0000000E+00 7 Al+++ 0.2282519E-05 0.7192525E-07 0.2210594E-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 0.3440997E-06 0.1550063E-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: 0.6882E-21 Mass of aqueous solution: 0.100001E+04 g Temperature = 100.00 C Pressure = 100.00 bar Mixer frac. = 0.0007000 Log Log Vol Gas or mineral Moles Moles Grams Grams Wt.% (cm3) diaspore 0.2211E-05 -5.655 0.1326E-03 -3.877 91.46 0.3948E-04 hematite 0.7750E-07 -7.111 0.1238E-04 -4.907 8.537 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: 1.0529 bar Gas Mole fraction phi Fugacity Partial P(bar) H2O,gas 0.9991E+00 0.9855 0.1037E+01 0.1052E+01 CO2,gas 0.9027E-03 1.0073 0.9574E-03 0.9504E-03 CH4,gas 0.6641E-20 1.0129 0.7083E-20 0.6993E-20 H2,gas 0.1588E-07 1.0006 0.1673E-07 0.1672E-07 H2S,gas 0.1774E-14 0.9959 0.1860E-14 0.1868E-14 S2,gas 0.4398E-33 1.0000 0.4631E-33 0.4631E-33 CO,gas 0.3940E-14 1.0000 0.4148E-14 0.4148E-14 SO3,gas 0.6850E-32 1.0000 0.7212E-32 0.7212E-32 SO2,gas 0.4335E-17 1.0000 0.4564E-17 0.4564E-17 HCl,gas 0.3838E-13 1.0000 0.4041E-13 0.4041E-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 2.90 2.90 0.00 0.000 0.37914E-11 90 hematite 12.60 12.60 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 1.98 0.00 -1.98 -1.984 0.33882E+04 0.016 2 CO2,gas -6.36 -11.38 -5.02 -1.673 0.85697E+04 -3.019 3 CH4,gas 4.81 -17.34 -22.15 -5.537 0.37820E+05 -20.150 4 H2,gas 8.29 -1.49 -9.78 -5.587 0.16693E+05 -7.777 5 H2S,gas -5.94 -22.67 -16.73 -8.365 0.28567E+05 -14.730 6 S2,gas -7.03 -42.37 -35.33 -5.436 0.60332E+05 -33.334 7 CO,gas 3.51 -12.87 -16.38 -5.041 0.27972E+05 -14.382 8 SO3,gas 17.43 -16.71 -34.14 -8.535 0.58296E+05 -32.142 9 SO2,gas 1.14 -18.20 -19.34 -5.158 0.33024E+05 -17.341 10 HCl,gas 5.48 -9.91 -15.39 -7.697 0.26284E+05 -13.394 21 andalusite 5.06 0.65 -4.41 -0.441 0.75266E+04 24 anhydrite -5.28 -9.50 -4.22 -2.111 0.72083E+04 51 chloritoid-Fe 9.24 6.21 -3.03 -0.202 0.51742E+04 54 coesite -2.37 -5.14 -2.77 -0.923 0.47271E+04 59 corundum 8.43 5.79 -2.64 -0.240 0.45099E+04 61 cristobalite -2.55 -5.14 -2.59 -0.863 0.44200E+04 83 gibbsite 4.10 2.90 -1.20 -0.172 0.20512E+04 98 kaolinite -1.27 -4.48 -3.21 -0.292 0.54815E+04 99 kyanite 4.93 0.65 -4.28 -0.428 0.73033E+04 107 magnetite 20.13 18.15 -1.98 -0.162 0.33828E+04 147 quartz -2.98 -5.14 -2.16 -0.719 0.36810E+04 156 siderite -2.59 -5.83 -3.24 -1.080 0.55330E+04 157 sillimanite 5.32 0.65 -4.67 -0.467 0.79687E+04 178 topaz-H 4.67 0.65 -4.01 -0.365 0.68524E+04 179 tridymite -2.61 -5.14 -2.52 -0.841 0.43083E+04 193 akaganeite 7.77 6.30 -1.47 -0.318 0.25082E+04 200 chalcedony -2.79 -5.14 -2.34 -0.781 0.40013E+04 215 gypsum -4.92 -9.50 -4.58 -1.144 0.78151E+04 234 boehmite 4.43 2.90 -1.53 -0.256 0.26184E+04 236 ferrous-oxide 9.82 5.55 -4.27 -1.068 0.72913E+04 241 silica-amorphous -2.08 -5.14 -3.06 -1.019 0.52215E+04 Calculations done for 100.0000 Deg. C; 100.0000 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 = 100.00 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 = .2403859E-03 Osmotic coef. = 0.9907 True ionic strength = .2364198E-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+ 0.83421E-06 -6.0787 0.80278E-06 -6.0954 0.96233E+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-- 0.25388E-04 -4.5954 0.22966E-04 -4.6389 0.90462E+00 -0.0435 5 HCO3- 0.51093E-05 -5.2916 0.49164E-05 -5.3084 0.96225E+00 -0.0167 6 HS- 0.49136E-15 -15.3086 0.47280E-15 -15.3253 0.96223E+00 -0.0167 7 Al+++ 0.49916E-15 -15.3018 0.40727E-15 -15.3901 0.81592E+00 -0.0884 8 H4SiO4 0.83197E-05 -5.0799 0.83197E-05 -5.0799 0.10000E+01 0.0000 9 Ca++ 0.15286E-04 -4.8157 0.13826E-04 -4.8593 0.90451E+00 -0.0436 10 Mg++ 0.63444E-06 -6.1976 0.57381E-06 -6.2412 0.90444E+00 -0.0436 11 Fe++ 0.37821E-06 -6.4223 0.34208E-06 -6.4659 0.90446E+00 -0.0436 12 K+ 0.16979E-06 -6.7701 0.16338E-06 -6.7868 0.96225E+00 -0.0167 13 Na+ 0.16107E-03 -3.7930 0.15498E-03 -3.8097 0.96222E+00 -0.0167 14 Mn++ 0.13730E-07 -7.8623 0.12418E-07 -7.9059 0.90447E+00 -0.0436 15 HPO4-- 0.33255E-09 -9.4781 0.30084E-09 -9.5217 0.90463E+00 -0.0435 16 HSiO3- 0.10508E-07 -7.9785 0.10111E-07 -7.9952 0.96222E+00 -0.0167 17 Ca(HSiO3)+ 0.32552E-11 -11.4874 0.31323E-11 -11.5041 0.96226E+00 -0.0167 18 Mg(HSiO3)+ 0.16813E-12 -12.7744 0.16178E-12 -12.7911 0.96226E+00 -0.0167 19 NaHSiO3,aq 0.24889E-10 -10.6040 0.24889E-10 -10.6040 0.10000E+01 0.0000 20 AlO+ 0.84783E-10 -10.0717 0.81583E-10 -10.0884 0.96226E+00 -0.0167 21 AlOH+2 0.36273E-12 -12.4404 0.32808E-12 -12.4840 0.90448E+00 -0.0436 22 HAlO2,aq 0.20336E-07 -7.6917 0.20336E-07 -7.6917 0.10000E+01 0.0000 23 AlO2- 0.58786E-07 -7.2307 0.56564E-07 -7.2475 0.96219E+00 -0.0167 29 CO,aq 0.54923E-17 -17.2602 0.54923E-17 -17.2602 0.10000E+01 0.0000 30 CO2,aq 0.79581E-05 -5.0992 0.79575E-05 -5.0992 0.99993E+00 0.0000 31 CO3-2 0.62596E-09 -9.2035 0.56624E-09 -9.2470 0.90459E+00 -0.0435 32 CaCO3,aq 0.95887E-10 -10.0182 0.95887E-10 -10.0182 0.10000E+01 0.0000 33 Ca(HCO3)+ 0.17800E-08 -8.7496 0.17128E-08 -8.7663 0.96226E+00 -0.0167 34 CaCl+ 0.30396E-08 -8.5172 0.29248E-08 -8.5339 0.96226E+00 -0.0167 35 CaCl2,aq 0.90405E-13 -13.0438 0.90405E-13 -13.0438 0.10000E+01 0.0000 36 CaOH+ 0.12621E-08 -8.8989 0.12144E-08 -8.9156 0.96226E+00 -0.0167 37 CaSO4,aq 0.98938E-07 -7.0046 0.98938E-07 -7.0046 0.10000E+01 0.0000 38 HCl,aq 0.20046E-10 -10.6980 0.20046E-10 -10.6980 0.10000E+01 0.0000 43 FeCl+ 0.73503E-10 -10.1337 0.70729E-10 -10.1504 0.96226E+00 -0.0167 44 FeCl2,aq 0.29121E-18 -18.5358 0.29121E-18 -18.5358 0.10000E+01 0.0000 46 FeO,aq 0.20990E-10 -10.6780 0.20990E-10 -10.6780 0.10000E+01 0.0000 47 FeOH+ 0.14681E-07 -7.8333 0.14127E-07 -7.8500 0.96226E+00 -0.0167 48 HFeO2- 0.29227E-12 -12.5342 0.28123E-12 -12.5509 0.96222E+00 -0.0167 49 FeO+ 0.69012E-11 -11.1611 0.66407E-11 -11.1778 0.96226E+00 -0.0167 50 FeOH+2 0.10968E-14 -14.9599 0.99201E-15 -15.0035 0.90448E+00 -0.0436 51 FeO2- 0.21047E-11 -11.6768 0.20252E-11 -11.6935 0.96222E+00 -0.0167 52 HFeO2,aq 0.20347E-09 -9.6915 0.20347E-09 -9.6915 0.10000E+01 0.0000 53 H2,aq 0.26801E-10 -10.5719 0.26799E-10 -10.5719 0.99993E+00 0.0000 54 KCl,aq 0.38404E-12 -12.4156 0.38404E-12 -12.4156 0.10000E+01 0.0000 55 KHSO4,aq 0.80607E-17 -17.0936 0.80607E-17 -17.0936 0.10000E+01 0.0000 56 KOH,aq 0.88723E-13 -13.0520 0.88723E-13 -13.0520 0.10000E+01 0.0000 57 KSO4- 0.60078E-10 -10.2213 0.57809E-10 -10.2380 0.96222E+00 -0.0167 58 MgCO3,aq 0.99437E-12 -12.0024 0.99437E-12 -12.0024 0.10000E+01 0.0000 59 Mg(HCO3)+ 0.75329E-10 -10.1230 0.72486E-10 -10.1397 0.96226E+00 -0.0167 60 MgCl+ 0.11452E-09 -9.9411 0.11019E-09 -9.9578 0.96226E+00 -0.0167 61 MgOH+ 0.29018E-09 -9.5373 0.27922E-09 -9.5540 0.96226E+00 -0.0167 63 MnO,aq 0.20342E-13 -13.6916 0.20342E-13 -13.6916 0.10000E+01 0.0000 64 MnOH+ 0.49510E-10 -10.3053 0.47642E-10 -10.3220 0.96226E+00 -0.0167 66 HMnO2- 0.19732E-18 -18.7048 0.18986E-18 -18.7216 0.96222E+00 -0.0167 69 MnCl+ 0.10369E-10 -10.9843 0.99776E-11 -11.0010 0.96226E+00 -0.0167 70 MnSO4,aq 0.80828E-10 -10.0924 0.80828E-10 -10.0924 0.10000E+01 0.0000 71 NaCl,aq 0.67181E-08 -8.1728 0.67181E-08 -8.1728 0.10000E+01 0.0000 72 NaOH,aq 0.84831E-10 -10.0714 0.84831E-10 -10.0714 0.10000E+01 0.0000 74 OH- 0.77655E-06 -6.1098 0.74719E-06 -6.1266 0.96219E+00 -0.0167 82 H3PO4,aq 0.12482E-11 -11.9037 0.12482E-11 -11.9037 0.10000E+01 0.0000 83 H2PO4- 0.44003E-08 -8.3565 0.42341E-08 -8.3732 0.96224E+00 -0.0167 84 PO4-3 0.40075E-15 -15.3971 0.32727E-15 -15.4851 0.81662E+00 -0.0880 87 H2P2O7-2 0.15511E-17 -17.8094 0.14031E-17 -17.8529 0.90459E+00 -0.0435 88 HP2O7-3 0.43925E-18 -18.3573 0.35839E-18 -18.4456 0.81592E+00 -0.0884 90 H2S,aq 0.11405E-14 -14.9429 0.11404E-14 -14.9429 0.99993E+00 0.0000 96 SO2,aq 0.16618E-17 -17.7794 0.16618E-17 -17.7794 0.10000E+01 0.0000 97 SO3-2 0.92745E-16 -16.0327 0.83918E-16 -16.0761 0.90482E+00 -0.0434 98 HSO3- 0.40973E-14 -14.3875 0.39425E-14 -14.4042 0.96222E+00 -0.0167 99 HSO4- 0.17778E-07 -7.7501 0.17107E-07 -7.7668 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+ 0.8342136E-06 0.7713609E-05 0.7774770E-02 0.0000 2 H2O 0.1000000E+01 0.5550824E+02 0.9999867E+06 0.0000 3 Cl- 0.1379642E-03 0.1379742E-03 0.4891546E+01 2.2184 4 SO4-- 0.2538762E-04 0.2550449E-04 0.2449976E+01 7.5519 5 HCO3- 0.5109283E-05 0.1307000E-04 0.7974862E+00 0.7870 6 HS- 0.4913583E-15 -.1985693E-10 -.6567013E-06 -9.2299 7 Al+++ 0.4991575E-15 0.7920745E-07 0.2137112E-02 2.8961 8 H4SiO4 0.8319691E-05 0.8330228E-05 0.8006544E+00 -5.0799 9 Ca++ 0.1528606E-04 0.1539118E-04 0.6168408E+00 7.3315 10 Mg++ 0.6344395E-06 0.6349207E-06 0.1543602E-01 5.9496 11 Fe++ 0.3782119E-06 0.3932000E-06 0.2195880E-01 5.7249 12 K+ 0.1697909E-06 0.1698514E-06 0.6641457E-02 -0.6914 13 Na+ 0.1610684E-03 0.1610752E-03 0.3703046E+01 2.2857 14 Mn++ 0.1373015E-07 0.1387088E-07 0.7620300E-03 4.2849 15 HPO4-- 0.3325526E-09 0.4734062E-08 0.4543656E-03 2.6691 Component Tot moles Aq. moles Solid moles Gas moles 1 H+ -.2068123E-06 0.7713608E-05 -.7920421E-05 0.0000000E+00 2 H2O 0.5550824E+02 0.5550823E+02 0.5235979E-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 0.2215087E-07 0.0000000E+00 5 HCO3- 0.1307000E-04 0.1307000E-04 0.0000000E+00 0.0000000E+00 6 HS- -.2217073E-07 -.1985693E-10 -.2215087E-07 0.0000000E+00 7 Al+++ 0.2608593E-05 0.7920744E-07 0.2529386E-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 0.3931999E-06 0.1772070E-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: 0.9529E-21 Mass of aqueous solution: 0.100001E+04 g Temperature = 100.00 C Pressure = 100.00 bar Mixer frac. = 0.0008000 Log Log Vol Gas or mineral Moles Moles Grams Grams Wt.% (cm3) diaspore 0.2529E-05 -5.597 0.1517E-03 -3.819 91.47 0.4517E-04 hematite 0.8860E-07 -7.053 0.1415E-04 -4.849 8.530 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: 1.0528 bar Gas Mole fraction phi Fugacity Partial P(bar) H2O,gas 0.9991E+00 0.9855 0.1037E+01 0.1052E+01 CO2,gas 0.8589E-03 1.0073 0.9109E-03 0.9043E-03 CH4,gas 0.1473E-18 1.0129 0.1571E-18 0.1551E-18 H2,gas 0.3489E-07 1.0006 0.3676E-07 0.3674E-07 H2S,gas 0.3172E-13 0.9959 0.3326E-13 0.3340E-13 S2,gas 0.2913E-31 1.0000 0.3067E-31 0.3067E-31 CO,gas 0.8237E-14 1.0000 0.8672E-14 0.8672E-14 SO3,gas 0.5256E-32 1.0000 0.5533E-32 0.5533E-32 SO2,gas 0.7308E-17 1.0000 0.7694E-17 0.7694E-17 HCl,gas 0.3362E-13 1.0000 0.3539E-13 0.3539E-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 2.90 2.90 0.00 0.000 -0.22748E-11 90 hematite 12.60 12.60 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 1.98 0.00 -1.98 -1.984 0.33882E+04 0.016 2 CO2,gas -6.36 -11.40 -5.04 -1.680 0.86066E+04 -3.041 3 CH4,gas 4.81 -15.99 -20.80 -5.201 0.35522E+05 -18.804 4 H2,gas 8.29 -1.15 -9.43 -5.391 0.16109E+05 -7.435 5 H2S,gas -5.94 -21.42 -15.48 -7.739 0.26428E+05 -13.478 6 S2,gas -7.03 -40.55 -33.51 -5.156 0.57223E+05 -31.513 7 CO,gas 3.51 -12.55 -16.06 -4.942 0.27425E+05 -14.062 8 SO3,gas 17.43 -16.83 -34.26 -8.564 0.58493E+05 -32.257 9 SO2,gas 1.14 -17.98 -19.11 -5.097 0.32636E+05 -17.114 10 HCl,gas 5.48 -9.97 -15.45 -7.726 0.26382E+05 -13.451 21 andalusite 5.06 0.71 -4.35 -0.435 0.74277E+04 24 anhydrite -5.28 -9.50 -4.22 -2.109 0.72029E+04 37 calcite 0.83 -4.07 -4.91 -1.635 0.83759E+04 51 chloritoid-Fe 9.24 6.44 -2.80 -0.187 0.47834E+04 54 coesite -2.37 -5.08 -2.71 -0.904 0.46282E+04 59 corundum 8.43 5.79 -2.64 -0.240 0.45099E+04 61 cristobalite -2.55 -5.08 -2.53 -0.844 0.43211E+04 83 gibbsite 4.10 2.90 -1.20 -0.172 0.20512E+04 98 kaolinite -1.27 -4.37 -3.09 -0.281 0.52837E+04 99 kyanite 4.93 0.71 -4.22 -0.422 0.72044E+04 107 magnetite 20.13 18.32 -1.81 -0.148 0.30909E+04 147 quartz -2.98 -5.08 -2.10 -0.699 0.35821E+04 156 siderite -2.59 -5.68 -3.09 -1.030 0.52781E+04 157 sillimanite 5.32 0.71 -4.61 -0.461 0.78698E+04 178 topaz-H 4.67 0.71 -3.96 -0.360 0.67535E+04 179 tridymite -2.61 -5.08 -2.47 -0.822 0.42094E+04 193 akaganeite 7.77 6.30 -1.47 -0.318 0.25082E+04 200 chalcedony -2.79 -5.08 -2.29 -0.762 0.39024E+04 215 gypsum -4.92 -9.50 -4.57 -1.143 0.78096E+04 234 boehmite 4.43 2.90 -1.53 -0.256 0.26184E+04 236 ferrous-oxide 9.82 5.72 -4.10 -1.025 0.69994E+04 241 silica-amorphous -2.08 -5.08 -3.00 -1.000 0.51226E+04 Calculations done for 100.0000 Deg. C; 100.0000 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 = 100.00 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 = .2409874E-03 Osmotic coef. = 0.9907 True ionic strength = .2371908E-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+ 0.73268E-06 -6.1351 0.70505E-06 -6.1518 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-- 0.25389E-04 -4.5954 0.22965E-04 -4.6389 0.90451E+00 -0.0436 5 HCO3- 0.55184E-05 -5.2582 0.53099E-05 -5.2749 0.96222E+00 -0.0167 6 HS- 0.84607E-14 -14.0726 0.81409E-14 -14.0893 0.96219E+00 -0.0167 7 Al+++ 0.33825E-15 -15.4708 0.27590E-15 -15.5592 0.81568E+00 -0.0885 8 H4SiO4 0.93580E-05 -5.0288 0.93580E-05 -5.0288 0.10000E+01 0.0000 9 Ca++ 0.15400E-04 -4.8125 0.13928E-04 -4.8561 0.90439E+00 -0.0436 10 Mg++ 0.71369E-06 -6.1465 0.64541E-06 -6.1902 0.90432E+00 -0.0437 11 Fe++ 0.42324E-06 -6.3734 0.38275E-06 -6.4171 0.90434E+00 -0.0437 12 K+ 0.19101E-06 -6.7189 0.18380E-06 -6.7357 0.96222E+00 -0.0167 13 Na+ 0.16119E-03 -3.7927 0.15510E-03 -3.8094 0.96219E+00 -0.0167 14 Mn++ 0.15439E-07 -7.8114 0.13962E-07 -7.8551 0.90435E+00 -0.0437 15 HPO4-- 0.42192E-09 -9.3748 0.38163E-09 -9.4184 0.90451E+00 -0.0436 16 HSiO3- 0.13459E-07 -7.8710 0.12950E-07 -7.8877 0.96219E+00 -0.0167 17 Ca(HSiO3)+ 0.41997E-11 -11.3768 0.40410E-11 -11.3935 0.96222E+00 -0.0167 18 Mg(HSiO3)+ 0.24220E-12 -12.6158 0.23305E-12 -12.6326 0.96222E+00 -0.0167 19 NaHSiO3,aq 0.31900E-10 -10.4962 0.31900E-10 -10.4962 0.10000E+01 0.0000 20 AlO+ 0.74464E-10 -10.1281 0.71651E-10 -10.1448 0.96222E+00 -0.0167 21 AlOH+2 0.27982E-12 -12.5531 0.25306E-12 -12.5968 0.90437E+00 -0.0437 22 HAlO2,aq 0.20336E-07 -7.6917 0.20336E-07 -7.6917 0.10000E+01 0.0000 23 AlO2- 0.66937E-07 -7.1743 0.64404E-07 -7.1911 0.96216E+00 -0.0168 29 CO,aq 0.10963E-16 -16.9601 0.10963E-16 -16.9601 0.10000E+01 0.0000 30 CO2,aq 0.75487E-05 -5.1221 0.75481E-05 -5.1222 0.99993E+00 0.0000 31 CO3-2 0.76987E-09 -9.1136 0.69633E-09 -9.1572 0.90447E+00 -0.0436 32 CaCO3,aq 0.11878E-09 -9.9253 0.11878E-09 -9.9253 0.10000E+01 0.0000 33 Ca(HCO3)+ 0.19366E-08 -8.7130 0.18634E-08 -8.7297 0.96222E+00 -0.0167 34 CaCl+ 0.30618E-08 -8.5140 0.29461E-08 -8.5307 0.96222E+00 -0.0167 35 CaCl2,aq 0.91061E-13 -13.0407 0.91061E-13 -13.0407 0.10000E+01 0.0000 36 CaOH+ 0.14476E-08 -8.8394 0.13929E-08 -8.8561 0.96222E+00 -0.0167 37 CaSO4,aq 0.99655E-07 -7.0015 0.99655E-07 -7.0015 0.10000E+01 0.0000 38 HCl,aq 0.17605E-10 -10.7544 0.17605E-10 -10.7544 0.10000E+01 0.0000 43 FeCl+ 0.82243E-10 -10.0849 0.79137E-10 -10.1016 0.96222E+00 -0.0167 44 FeCl2,aq 0.32581E-18 -18.4870 0.32581E-18 -18.4870 0.10000E+01 0.0000 46 FeO,aq 0.30448E-10 -10.5164 0.30448E-10 -10.5164 0.10000E+01 0.0000 47 FeOH+ 0.18704E-07 -7.7281 0.17998E-07 -7.7448 0.96222E+00 -0.0167 48 HFeO2- 0.48276E-12 -12.3163 0.46450E-12 -12.3330 0.96219E+00 -0.0167 49 FeO+ 0.60613E-11 -11.2174 0.58323E-11 -11.2342 0.96222E+00 -0.0167 50 FeOH+2 0.84609E-15 -15.0726 0.76517E-15 -15.1162 0.90437E+00 -0.0437 51 FeO2- 0.23966E-11 -11.6204 0.23059E-11 -11.6372 0.96219E+00 -0.0167 52 HFeO2,aq 0.20347E-09 -9.6915 0.20347E-09 -9.6915 0.10000E+01 0.0000 53 H2,aq 0.56396E-10 -10.2488 0.56391E-10 -10.2488 0.99993E+00 0.0000 54 KCl,aq 0.43202E-12 -12.3645 0.43202E-12 -12.3645 0.10000E+01 0.0000 55 KHSO4,aq 0.79635E-17 -17.0989 0.79635E-17 -17.0989 0.10000E+01 0.0000 56 KOH,aq 0.11365E-12 -12.9444 0.11365E-12 -12.9444 0.10000E+01 0.0000 57 KSO4- 0.67583E-10 -10.1702 0.65028E-10 -10.1869 0.96219E+00 -0.0167 58 MgCO3,aq 0.13754E-11 -11.8616 0.13754E-11 -11.8616 0.10000E+01 0.0000 59 Mg(HCO3)+ 0.91512E-10 -10.0385 0.88055E-10 -10.0552 0.96222E+00 -0.0167 60 MgCl+ 0.12881E-09 -9.8901 0.12394E-09 -9.9068 0.96222E+00 -0.0167 61 MgOH+ 0.37164E-09 -9.4299 0.35760E-09 -9.4466 0.96222E+00 -0.0167 63 MnO,aq 0.29650E-13 -13.5280 0.29650E-13 -13.5280 0.10000E+01 0.0000 64 MnOH+ 0.63382E-10 -10.1980 0.60988E-10 -10.2148 0.96222E+00 -0.0167 66 HMnO2- 0.32749E-18 -18.4848 0.31510E-18 -18.5015 0.96219E+00 -0.0167 69 MnCl+ 0.11658E-10 -10.9334 0.11217E-10 -10.9501 0.96222E+00 -0.0167 70 MnSO4,aq 0.90868E-10 -10.0416 0.90868E-10 -10.0416 0.10000E+01 0.0000 71 NaCl,aq 0.67229E-08 -8.1724 0.67229E-08 -8.1724 0.10000E+01 0.0000 72 NaOH,aq 0.96662E-10 -10.0147 0.96662E-10 -10.0147 0.10000E+01 0.0000 74 OH- 0.88423E-06 -6.0534 0.85077E-06 -6.0702 0.96216E+00 -0.0168 82 H3PO4,aq 0.12213E-11 -11.9132 0.12213E-11 -11.9132 0.10000E+01 0.0000 83 H2PO4- 0.49027E-08 -8.3096 0.47174E-08 -8.3263 0.96221E+00 -0.0167 84 PO4-3 0.57903E-15 -15.2373 0.47271E-15 -15.3254 0.81639E+00 -0.0881 87 H2P2O7-2 0.19256E-17 -17.7154 0.17417E-17 -17.7590 0.90447E+00 -0.0436 88 HP2O7-3 0.62101E-18 -18.2069 0.50654E-18 -18.2954 0.81568E+00 -0.0885 90 H2S,aq 0.17247E-13 -13.7633 0.17245E-13 -13.7633 0.99993E+00 0.0000 96 SO2,aq 0.26971E-17 -17.5691 0.26971E-17 -17.5691 0.10000E+01 0.0000 97 SO3-2 0.19517E-15 -15.7096 0.17657E-15 -15.7531 0.90470E+00 -0.0435 98 HSO3- 0.75718E-14 -14.1208 0.72855E-14 -14.1375 0.96219E+00 -0.0167 99 HSO4- 0.15613E-07 -7.8065 0.15023E-07 -7.8232 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+ 0.7326790E-06 0.7053241E-05 0.7109165E-02 0.0000 2 H2O 0.1000000E+01 0.5550824E+02 0.9999866E+06 0.0000 3 Cl- 0.1379642E-03 0.1379742E-03 0.4891545E+01 2.2748 4 SO4-- 0.2538905E-04 0.2550449E-04 0.2449975E+01 7.6646 5 HCO3- 0.5518387E-05 0.1307000E-04 0.7974861E+00 0.8769 6 HS- 0.8460737E-14 -.1236466E-10 -.4089195E-06 -7.9376 7 Al+++ 0.3382462E-15 0.8734801E-07 0.2356754E-02 2.8961 8 H4SiO4 0.9358011E-05 0.9371506E-05 0.9007361E+00 -5.0288 9 Ca++ 0.1539997E-04 0.1550619E-04 0.6214502E+00 7.4474 10 Mg++ 0.7136923E-06 0.7142859E-06 0.1736553E-01 6.1134 11 Fe++ 0.4232410E-06 0.4422702E-06 0.2469919E-01 5.8865 12 K+ 0.1910147E-06 0.1910828E-06 0.7471638E-02 -0.5839 13 Na+ 0.1611939E-03 0.1612008E-03 0.3705932E+01 2.3424 14 Mn++ 0.1543880E-07 0.1560474E-07 0.8572837E-03 4.4485 15 HPO4-- 0.4219249E-09 0.5325820E-08 0.5111612E-03 2.8852 Component Tot moles Aq. moles Solid moles Gas moles 1 H+ -.1862664E-05 0.7053240E-05 -.8915904E-05 0.0000000E+00 2 H2O 0.5550824E+02 0.5550823E+02 0.5894077E-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 0.2492970E-07 0.0000000E+00 5 HCO3- 0.1307000E-04 0.1307000E-04 0.0000000E+00 0.0000000E+00 6 HS- -.2494207E-07 -.1236466E-10 -.2492970E-07 0.0000000E+00 7 Al+++ 0.2934667E-05 0.8734800E-07 0.2847319E-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 0.4422701E-06 0.1994376E-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: 0.5294E-22 Mass of aqueous solution: 0.100001E+04 g Temperature = 100.00 C Pressure = 100.00 bar Mixer frac. = 0.0009000 Log Log Vol Gas or mineral Moles Moles Grams Grams Wt.% (cm3) diaspore 0.2847E-05 -5.546 0.1708E-03 -3.767 91.47 0.5085E-04 hematite 0.9972E-07 -7.001 0.1593E-04 -4.798 8.528 0.3018E-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: 1.0528 bar Gas Mole fraction phi Fugacity Partial P(bar) H2O,gas 0.9992E+00 0.9855 0.1037E+01 0.1052E+01 CO2,gas 0.8147E-03 1.0073 0.8640E-03 0.8577E-03 CH4,gas 0.2739E-17 1.0129 0.2921E-17 0.2884E-17 H2,gas 0.7342E-07 1.0006 0.7735E-07 0.7730E-07 H2S,gas 0.4797E-12 0.9959 0.5030E-12 0.5050E-12 S2,gas 0.1504E-29 1.0000 0.1584E-29 0.1584E-29 CO,gas 0.1644E-13 1.0000 0.1731E-13 0.1731E-13 SO3,gas 0.4054E-32 1.0000 0.4268E-32 0.4268E-32 SO2,gas 0.1186E-16 1.0000 0.1249E-16 0.1249E-16 HCl,gas 0.2953E-13 1.0000 0.3108E-13 0.3108E-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 2.90 2.90 0.00 0.000 -0.22748E-11 90 hematite 12.60 12.60 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 1.98 0.00 -1.98 -1.984 0.33882E+04 0.016 2 CO2,gas -6.36 -11.43 -5.06 -1.688 0.86457E+04 -3.063 3 CH4,gas 4.81 -14.73 -19.53 -4.884 0.33355E+05 -17.534 4 H2,gas 8.29 -0.82 -9.11 -5.207 0.15558E+05 -7.112 5 H2S,gas -5.94 -20.24 -14.30 -7.149 0.24414E+05 -12.298 6 S2,gas -7.03 -38.83 -31.80 -4.892 0.54298E+05 -29.800 7 CO,gas 3.51 -12.25 -15.76 -4.850 0.26913E+05 -13.762 8 SO3,gas 17.43 -16.94 -34.37 -8.592 0.58685E+05 -32.370 9 SO2,gas 1.14 -17.77 -18.90 -5.041 0.32277E+05 -16.904 10 HCl,gas 5.48 -10.03 -15.51 -7.754 0.26479E+05 -13.507 21 andalusite 5.06 0.76 -4.30 -0.430 0.73404E+04 24 anhydrite -5.28 -9.50 -4.22 -2.108 0.71975E+04 35 aragonite 0.99 -3.98 -4.97 -1.655 0.84784E+04 37 calcite 0.83 -3.98 -4.81 -1.604 0.82171E+04 51 chloritoid-Fe 9.24 6.65 -2.59 -0.173 0.44204E+04 54 coesite -2.37 -5.03 -2.66 -0.886 0.45410E+04 59 corundum 8.43 5.79 -2.64 -0.240 0.45099E+04 61 cristobalite -2.55 -5.03 -2.48 -0.827 0.42339E+04 83 gibbsite 4.10 2.90 -1.20 -0.172 0.20512E+04 98 kaolinite -1.27 -4.27 -2.99 -0.272 0.51093E+04 99 kyanite 4.93 0.76 -4.17 -0.417 0.71172E+04 107 magnetite 20.13 18.48 -1.65 -0.135 0.28151E+04 147 quartz -2.98 -5.03 -2.05 -0.682 0.34949E+04 156 siderite -2.59 -5.54 -2.95 -0.984 0.50414E+04 157 sillimanite 5.32 0.76 -4.56 -0.456 0.77826E+04 178 topaz-H 4.67 0.76 -3.90 -0.355 0.66663E+04 179 tridymite -2.61 -5.03 -2.41 -0.805 0.41222E+04 193 akaganeite 7.77 6.30 -1.47 -0.318 0.25082E+04 200 chalcedony -2.79 -5.03 -2.23 -0.745 0.38152E+04 215 gypsum -4.92 -9.50 -4.57 -1.143 0.78043E+04 234 boehmite 4.43 2.90 -1.53 -0.256 0.26184E+04 236 ferrous-oxide 9.82 5.89 -3.94 -0.984 0.67236E+04 241 silica-amorphous -2.08 -5.03 -2.95 -0.983 0.50354E+04 Calculations done for 100.0000 Deg. C; 100.0000 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 = 8 Loop limit = 400 Temperature = 100.00 C Pressure = 100.00 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 = .2415930E-03 Osmotic coef. = 0.9907 True ionic strength = .2379740E-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+ 0.64522E-06 -6.1903 0.62087E-06 -6.2070 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-- 0.25390E-04 -4.5953 0.22963E-04 -4.6390 0.90439E+00 -0.0436 5 HCO3- 0.59271E-05 -5.2272 0.57030E-05 -5.2439 0.96218E+00 -0.0167 6 HS- 0.12606E-12 -12.8994 0.12129E-12 -12.9162 0.96216E+00 -0.0168 7 Al+++ 0.23105E-15 -15.6363 0.18840E-15 -15.7249 0.81543E+00 -0.0886 8 H4SiO4 0.10396E-04 -4.9831 0.10396E-04 -4.9831 0.10000E+01 0.0000 9 Ca++ 0.15514E-04 -4.8093 0.14029E-04 -4.8530 0.90427E+00 -0.0437 10 Mg++ 0.79293E-06 -6.1008 0.71696E-06 -6.1445 0.90420E+00 -0.0437 11 Fe++ 0.46748E-06 -6.3302 0.42270E-06 -6.3740 0.90422E+00 -0.0437 12 K+ 0.21224E-06 -6.6732 0.20421E-06 -6.6899 0.96219E+00 -0.0167 13 Na+ 0.16132E-03 -3.7923 0.15521E-03 -3.8091 0.96216E+00 -0.0168 14 Mn++ 0.17145E-07 -7.7659 0.15503E-07 -7.8096 0.90423E+00 -0.0437 15 HPO4-- 0.52677E-09 -9.2784 0.47641E-09 -9.3220 0.90439E+00 -0.0436 16 HSiO3- 0.16979E-07 -7.7701 0.16336E-07 -7.7868 0.96216E+00 -0.0168 17 Ca(HSiO3)+ 0.53366E-11 -11.2727 0.51348E-11 -11.2895 0.96219E+00 -0.0167 18 Mg(HSiO3)+ 0.33942E-12 -12.4693 0.32659E-12 -12.4860 0.96219E+00 -0.0167 19 NaHSiO3,aq 0.40272E-10 -10.3950 0.40272E-10 -10.3950 0.10000E+01 0.0000 20 AlO+ 0.65575E-10 -10.1833 0.63096E-10 -10.2000 0.96219E+00 -0.0167 21 AlOH+2 0.21702E-12 -12.6635 0.19624E-12 -12.7072 0.90424E+00 -0.0437 22 HAlO2,aq 0.20336E-07 -7.6917 0.20336E-07 -7.6917 0.10000E+01 0.0000 23 AlO2- 0.76015E-07 -7.1191 0.73136E-07 -7.1359 0.96213E+00 -0.0168 24 CH4,aq 0.29563E-19 -19.5293 0.29560E-19 -19.5293 0.99993E+00 0.0000 29 CO,aq 0.21029E-16 -16.6772 0.21029E-16 -16.6772 0.10000E+01 0.0000 30 CO2,aq 0.71396E-05 -5.1463 0.71390E-05 -5.1464 0.99993E+00 0.0000 31 CO3-2 0.93911E-09 -9.0273 0.84929E-09 -9.0709 0.90435E+00 -0.0437 32 CaCO3,aq 0.14592E-09 -9.8359 0.14592E-09 -9.8359 0.10000E+01 0.0000 33 Ca(HCO3)+ 0.20951E-08 -8.6788 0.20159E-08 -8.6955 0.96219E+00 -0.0167 34 CaCl+ 0.30840E-08 -8.5109 0.29674E-08 -8.5276 0.96219E+00 -0.0167 35 CaCl2,aq 0.91716E-13 -13.0376 0.91716E-13 -13.0376 0.10000E+01 0.0000 36 CaOH+ 0.16559E-08 -8.7810 0.15933E-08 -8.7977 0.96219E+00 -0.0167 37 CaSO4,aq 0.10037E-06 -6.9984 0.10037E-06 -6.9984 0.10000E+01 0.0000 38 HCl,aq 0.15502E-10 -10.8096 0.15502E-10 -10.8096 0.10000E+01 0.0000 43 FeCl+ 0.90827E-10 -10.0418 0.87393E-10 -10.0585 0.96219E+00 -0.0167 44 FeCl2,aq 0.35980E-18 -18.4439 0.35980E-18 -18.4439 0.10000E+01 0.0000 46 FeO,aq 0.43362E-10 -10.3629 0.43362E-10 -10.3629 0.10000E+01 0.0000 47 FeOH+ 0.23458E-07 -7.6297 0.22571E-07 -7.6465 0.96219E+00 -0.0167 48 HFeO2- 0.78075E-12 -12.1075 0.75121E-12 -12.1242 0.96216E+00 -0.0168 49 FeO+ 0.53377E-11 -11.2726 0.51359E-11 -11.2894 0.96219E+00 -0.0167 50 FeOH+2 0.65620E-15 -15.1830 0.59336E-15 -15.2267 0.90424E+00 -0.0437 51 FeO2- 0.27216E-11 -11.5652 0.26186E-11 -11.5819 0.96216E+00 -0.0168 52 HFeO2,aq 0.20347E-09 -9.6915 0.20347E-09 -9.6915 0.10000E+01 0.0000 53 H2,aq 0.11438E-09 -9.9416 0.11437E-09 -9.9417 0.99993E+00 0.0000 54 KCl,aq 0.47999E-12 -12.3188 0.47999E-12 -12.3188 0.10000E+01 0.0000 55 KHSO4,aq 0.77909E-17 -17.1084 0.77909E-17 -17.1084 0.10000E+01 0.0000 56 KOH,aq 0.14339E-12 -12.8435 0.14339E-12 -12.8435 0.10000E+01 0.0000 57 KSO4- 0.75086E-10 -10.1244 0.72245E-10 -10.1412 0.96216E+00 -0.0168 58 MgCO3,aq 0.18635E-11 -11.7297 0.18635E-11 -11.7297 0.10000E+01 0.0000 59 Mg(HCO3)+ 0.10919E-09 -9.9618 0.10506E-09 -9.9786 0.96219E+00 -0.0167 60 MgCl+ 0.14309E-09 -9.8444 0.13768E-09 -9.8611 0.96219E+00 -0.0167 61 MgOH+ 0.46883E-09 -9.3290 0.45111E-09 -9.3457 0.96219E+00 -0.0167 63 MnO,aq 0.42454E-13 -13.3721 0.42454E-13 -13.3721 0.10000E+01 0.0000 64 MnOH+ 0.79921E-10 -10.0973 0.76900E-10 -10.1141 0.96219E+00 -0.0167 66 HMnO2- 0.53251E-18 -18.2737 0.51236E-18 -18.2904 0.96216E+00 -0.0168 69 MnCl+ 0.12944E-10 -10.8879 0.12455E-10 -10.9047 0.96219E+00 -0.0167 70 MnSO4,aq 0.10089E-09 -9.9962 0.10089E-09 -9.9962 0.10000E+01 0.0000 71 NaCl,aq 0.67276E-08 -8.1721 0.67276E-08 -8.1721 0.10000E+01 0.0000 72 NaOH,aq 0.10985E-09 -9.9592 0.10985E-09 -9.9592 0.10000E+01 0.0000 74 OH- 0.10041E-05 -5.9982 0.96612E-06 -6.0150 0.96213E+00 -0.0168 82 H3PO4,aq 0.11823E-11 -11.9273 0.11823E-11 -11.9273 0.10000E+01 0.0000 83 H2PO4- 0.53896E-08 -8.2684 0.51858E-08 -8.2852 0.96218E+00 -0.0167 84 PO4-3 0.82107E-15 -15.0856 0.67011E-15 -15.1739 0.81614E+00 -0.0882 87 H2P2O7-2 0.23273E-17 -17.6331 0.21047E-17 -17.6768 0.90435E+00 -0.0437 88 HP2O7-3 0.85245E-18 -18.0693 0.69512E-18 -18.1579 0.81544E+00 -0.0886 90 H2S,aq 0.22629E-12 -12.6453 0.22627E-12 -12.6454 0.99993E+00 0.0000 96 SO2,aq 0.42416E-17 -17.3725 0.42416E-17 -17.3725 0.10000E+01 0.0000 97 SO3-2 0.39586E-15 -15.4025 0.35809E-15 -15.4460 0.90459E+00 -0.0436 98 HSO3- 0.13523E-13 -13.8689 0.13011E-13 -13.8857 0.96216E+00 -0.0168 99 HSO4- 0.13748E-07 -7.8618 0.13228E-07 -7.8785 0.96221E+00 -0.0167 101 S2O3-2 0.67711E-19 -19.1693 0.61235E-19 -19.2130 0.90435E+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+ 0.6452212E-06 0.6390198E-05 0.6440864E-02 0.0000 2 H2O 0.1000000E+01 0.5550824E+02 0.9999865E+06 0.0000 3 Cl- 0.1379641E-03 0.1379742E-03 0.4891545E+01 2.3300 4 SO4-- 0.2539018E-04 0.2550447E-04 0.2449973E+01 7.7750 5 HCO3- 0.5927148E-05 0.1307000E-04 0.7974861E+00 0.9631 6 HS- 0.1260649E-12 0.2509601E-11 0.8299659E-07 -6.7092 7 Al+++ 0.2310493E-15 0.9641724E-07 0.2601453E-02 2.8961 8 H4SiO4 0.1039576E-04 0.1041279E-04 0.1000818E+01 -4.9831 9 Ca++ 0.1551385E-04 0.1562121E-04 0.6260597E+00 7.5610 10 Mg++ 0.7929277E-06 0.7936510E-06 0.1929503E-01 6.2695 11 Fe++ 0.4674772E-06 0.4912814E-06 0.2743628E-01 6.0400 12 K+ 0.2122386E-06 0.2123143E-06 0.8301820E-02 -0.4829 13 Na+ 0.1613194E-03 0.1613263E-03 0.3708817E+01 2.3979 14 Mn++ 0.1714481E-07 0.1733860E-07 0.9525373E-03 4.6044 15 HPO4-- 0.5267727E-09 0.5917578E-08 0.5679569E-03 3.0920 Component Tot moles Aq. moles Solid moles Gas moles 1 H+ -.3518515E-05 0.6390197E-05 -.9908712E-05 0.0000000E+00 2 H2O 0.5550824E+02 0.5550823E+02 0.6550376E-05 0.0000000E+00 3 Cl- 0.1379742E-03 0.1379742E-03 0.0000000E+00 0.0000000E+00 4 SO4-- 0.2553218E-04 0.2550447E-04 0.2771592E-07 0.0000000E+00 5 HCO3- 0.1307000E-04 0.1307000E-04 0.0000000E+00 0.0000000E+00 6 HS- -.2771341E-07 0.2509600E-11 -.2771592E-07 0.0000000E+00 7 Al+++ 0.3260742E-05 0.9641722E-07 0.3164324E-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 0.4912812E-06 0.2217273E-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: -.9529E-21 Mass of aqueous solution: 0.100001E+04 g Temperature = 100.00 C Pressure = 100.00 bar Mixer frac. = 0.0010000 Log Log Vol Gas or mineral Moles Moles Grams Grams Wt.% (cm3) diaspore 0.3164E-05 -5.500 0.1898E-03 -3.722 91.47 0.5651E-04 hematite 0.1109E-06 -6.955 0.1770E-04 -4.752 8.531 0.3356E-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 = 0.000208 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: 1.0528 bar Gas Mole fraction phi Fugacity Partial P(bar) H2O,gas 0.9992E+00 0.9855 0.1037E+01 0.1052E+01 CO2,gas 0.7706E-03 1.0073 0.8172E-03 0.8113E-03 CH4,gas 0.4384E-16 1.0129 0.4675E-16 0.4615E-16 H2,gas 0.1489E-06 1.0006 0.1569E-06 0.1568E-06 H2S,gas 0.6294E-11 0.9959 0.6599E-11 0.6626E-11 S2,gas 0.6297E-28 1.0000 0.6629E-28 0.6629E-28 CO,gas 0.3154E-13 1.0000 0.3321E-13 0.3321E-13 SO3,gas 0.3143E-32 1.0000 0.3309E-32 0.3309E-32 SO2,gas 0.1865E-16 1.0000 0.1964E-16 0.1964E-16 HCl,gas 0.2600E-13 1.0000 0.2737E-13 0.2737E-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 2.90 2.90 0.00 0.000 0.75827E-12 90 hematite 12.60 12.60 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 1.98 0.00 -1.98 -1.984 0.33882E+04 0.016 2 CO2,gas -6.36 -11.45 -5.09 -1.696 0.86871E+04 -3.088 3 CH4,gas 4.81 -13.52 -18.33 -4.583 0.31298E+05 -16.330 4 H2,gas 8.29 -0.52 -8.80 -5.031 0.15033E+05 -6.804 5 H2S,gas -5.94 -19.12 -13.18 -6.590 0.22505E+05 -11.181 6 S2,gas -7.03 -37.21 -30.18 -4.643 0.51529E+05 -28.179 7 CO,gas 3.51 -11.97 -15.48 -4.763 0.26430E+05 -13.479 8 SO3,gas 17.43 -17.05 -34.48 -8.620 0.58874E+05 -32.480 9 SO2,gas 1.14 -17.57 -18.71 -4.989 0.31942E+05 -16.707 10 HCl,gas 5.48 -10.08 -15.56 -7.781 0.26573E+05 -13.563 21 andalusite 5.06 0.81 -4.25 -0.425 0.72625E+04 24 anhydrite -5.28 -9.49 -4.21 -2.106 0.71922E+04 35 aragonite 0.99 -3.89 -4.88 -1.625 0.83258E+04 37 calcite 0.83 -3.89 -4.72 -1.574 0.80645E+04 41 carpholite-Fe 6.78 1.87 -4.92 -0.328 0.83956E+04 51 chloritoid-Fe 9.24 6.85 -2.39 -0.159 0.40802E+04 54 coesite -2.37 -4.98 -2.61 -0.871 0.44630E+04 59 corundum 8.43 5.79 -2.64 -0.240 0.45099E+04 61 cristobalite -2.55 -4.98 -2.43 -0.811 0.41559E+04 83 gibbsite 4.10 2.90 -1.20 -0.172 0.20512E+04 98 kaolinite -1.27 -4.17 -2.90 -0.264 0.49533E+04 99 kyanite 4.93 0.81 -4.12 -0.412 0.70392E+04 107 magnetite 20.13 18.64 -1.50 -0.122 0.25529E+04 147 quartz -2.98 -4.98 -2.00 -0.667 0.34169E+04 156 siderite -2.59 -5.41 -2.82 -0.941 0.48205E+04 157 sillimanite 5.32 0.81 -4.51 -0.451 0.77046E+04 178 topaz-H 4.67 0.81 -3.86 -0.351 0.65883E+04 179 tridymite -2.61 -4.98 -2.37 -0.790 0.40442E+04 193 akaganeite 7.77 6.30 -1.47 -0.318 0.25082E+04 200 chalcedony -2.79 -4.98 -2.19 -0.730 0.37372E+04 215 gypsum -4.92 -9.49 -4.57 -1.142 0.77990E+04 234 boehmite 4.43 2.90 -1.53 -0.256 0.26184E+04 236 ferrous-oxide 9.82 6.04 -3.78 -0.946 0.64614E+04 241 silica-amorphous -2.08 -4.98 -2.90 -0.968 0.49574E+04 Calculations done for 100.0000 Deg. C; 100.0000 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 = 100.00 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 = .2422029E-03 Osmotic coef. = 0.9907 True ionic strength = .2387667E-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+ 0.56972E-06 -6.2443 0.54820E-06 -6.2611 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-- 0.25391E-04 -4.5953 0.22960E-04 -4.6390 0.90426E+00 -0.0437 5 HCO3- 0.63320E-05 -5.1985 0.60924E-05 -5.2152 0.96215E+00 -0.0168 6 HS- 0.16546E-11 -11.7813 0.15920E-11 -11.7981 0.96213E+00 -0.0168 7 Al+++ 0.15909E-15 -15.7984 0.12969E-15 -15.8871 0.81518E+00 -0.0887 8 H4SiO4 0.11433E-04 -4.9418 0.11433E-04 -4.9418 0.10000E+01 0.0000 9 Ca++ 0.15628E-04 -4.8061 0.14130E-04 -4.8499 0.90415E+00 -0.0438 10 Mg++ 0.87214E-06 -6.0594 0.78848E-06 -6.1032 0.90408E+00 -0.0438 11 Fe++ 0.51076E-06 -6.2918 0.46178E-06 -6.3356 0.90409E+00 -0.0438 12 K+ 0.23346E-06 -6.6318 0.22463E-06 -6.6485 0.96216E+00 -0.0168 13 Na+ 0.16144E-03 -3.7920 0.15533E-03 -3.8087 0.96212E+00 -0.0168 14 Mn++ 0.18848E-07 -7.7247 0.17040E-07 -7.7685 0.90411E+00 -0.0438 15 HPO4-- 0.64868E-09 -9.1880 0.58658E-09 -9.2317 0.90427E+00 -0.0437 16 HSiO3- 0.21149E-07 -7.6747 0.20348E-07 -7.6915 0.96213E+00 -0.0168 17 Ca(HSiO3)+ 0.66951E-11 -11.1742 0.64417E-11 -11.1910 0.96216E+00 -0.0168 18 Mg(HSiO3)+ 0.46496E-12 -12.3326 0.44736E-12 -12.3493 0.96216E+00 -0.0168 19 NaHSiO3,aq 0.50198E-10 -10.2993 0.50198E-10 -10.2993 0.10000E+01 0.0000 20 AlO+ 0.57902E-10 -10.2373 0.55711E-10 -10.2541 0.96216E+00 -0.0168 21 AlOH+2 0.16921E-12 -12.7716 0.15299E-12 -12.8153 0.90412E+00 -0.0438 22 HAlO2,aq 0.20336E-07 -7.6917 0.20336E-07 -7.6917 0.10000E+01 0.0000 23 AlO2- 0.86095E-07 -7.0650 0.82832E-07 -7.0818 0.96210E+00 -0.0168 24 CH4,aq 0.41454E-18 -18.3824 0.41450E-18 -18.3825 0.99992E+00 0.0000 29 CO,aq 0.38949E-16 -16.4095 0.38949E-16 -16.4095 0.10000E+01 0.0000 30 CO2,aq 0.67343E-05 -5.1717 0.67338E-05 -5.1717 0.99992E+00 0.0000 31 CO3-2 0.11364E-08 -8.9445 0.10275E-08 -8.9882 0.90423E+00 -0.0437 32 CaCO3,aq 0.17782E-09 -9.7500 0.17782E-09 -9.7500 0.10000E+01 0.0000 33 Ca(HCO3)+ 0.22544E-08 -8.6470 0.21691E-08 -8.6637 0.96216E+00 -0.0168 34 CaCl+ 0.31063E-08 -8.5078 0.29887E-08 -8.5245 0.96216E+00 -0.0168 35 CaCl2,aq 0.92370E-13 -13.0345 0.92370E-13 -13.0345 0.10000E+01 0.0000 36 CaOH+ 0.18889E-08 -8.7238 0.18175E-08 -8.7405 0.96216E+00 -0.0168 37 CaSO4,aq 0.10108E-06 -6.9953 0.10108E-06 -6.9953 0.10000E+01 0.0000 38 HCl,aq 0.13687E-10 -10.8637 0.13687E-10 -10.8637 0.10000E+01 0.0000 43 FeCl+ 0.99224E-10 -10.0034 0.95469E-10 -10.0201 0.96216E+00 -0.0168 44 FeCl2,aq 0.39303E-18 -18.4056 0.39303E-18 -18.4056 0.10000E+01 0.0000 46 FeO,aq 0.60763E-10 -10.2164 0.60763E-10 -10.2164 0.10000E+01 0.0000 47 FeOH+ 0.29024E-07 -7.5372 0.27926E-07 -7.5540 0.96216E+00 -0.0168 48 HFeO2- 0.12391E-11 -11.9069 0.11922E-11 -11.9237 0.96213E+00 -0.0168 49 FeO+ 0.47131E-11 -11.3267 0.45348E-11 -11.3434 0.96216E+00 -0.0168 50 FeOH+2 0.51165E-15 -15.2910 0.46259E-15 -15.3348 0.90412E+00 -0.0438 51 FeO2- 0.30825E-11 -11.5111 0.29657E-11 -11.5279 0.96213E+00 -0.0168 52 HFeO2,aq 0.20347E-09 -9.6915 0.20347E-09 -9.6915 0.10000E+01 0.0000 53 H2,aq 0.22460E-09 -9.6486 0.22458E-09 -9.6486 0.99992E+00 0.0000 54 KCl,aq 0.52795E-12 -12.2774 0.52795E-12 -12.2774 0.10000E+01 0.0000 55 KHSO4,aq 0.75659E-17 -17.1211 0.75659E-17 -17.1211 0.10000E+01 0.0000 56 KOH,aq 0.17863E-12 -12.7480 0.17863E-12 -12.7480 0.10000E+01 0.0000 57 KSO4- 0.82586E-10 -10.0831 0.79458E-10 -10.0999 0.96213E+00 -0.0168 58 MgCO3,aq 0.24795E-11 -11.6056 0.24795E-11 -11.6056 0.10000E+01 0.0000 59 Mg(HCO3)+ 0.12828E-09 -9.8918 0.12343E-09 -9.9086 0.96216E+00 -0.0168 60 MgCl+ 0.15736E-09 -9.8031 0.15141E-09 -9.8199 0.96216E+00 -0.0168 61 MgOH+ 0.58397E-09 -9.2336 0.56187E-09 -9.2504 0.96216E+00 -0.0168 63 MnO,aq 0.59857E-13 -13.2229 0.59857E-13 -13.2229 0.10000E+01 0.0000 64 MnOH+ 0.99497E-10 -10.0022 0.95732E-10 -10.0189 0.96216E+00 -0.0168 66 HMnO2- 0.85035E-18 -18.0704 0.81814E-18 -18.0872 0.96213E+00 -0.0168 69 MnCl+ 0.14228E-10 -10.8469 0.13690E-10 -10.8636 0.96216E+00 -0.0168 70 MnSO4,aq 0.11088E-09 -9.9551 0.11088E-09 -9.9551 0.10000E+01 0.0000 71 NaCl,aq 0.67324E-08 -8.1718 0.67324E-08 -8.1718 0.10000E+01 0.0000 72 NaOH,aq 0.12450E-09 -9.9048 0.12450E-09 -9.9048 0.10000E+01 0.0000 74 OH- 0.11373E-05 -5.9441 0.10942E-05 -5.9609 0.96210E+00 -0.0168 82 H3PO4,aq 0.11349E-11 -11.9450 0.11349E-11 -11.9450 0.10000E+01 0.0000 83 H2PO4- 0.58595E-08 -8.2321 0.56377E-08 -8.2489 0.96214E+00 -0.0168 84 PO4-3 0.11453E-14 -14.9411 0.93446E-15 -15.0294 0.81590E+00 -0.0884 87 H2P2O7-2 0.27510E-17 -17.5605 0.24875E-17 -17.6042 0.90423E+00 -0.0437 88 HP2O7-3 0.11414E-17 -17.9426 0.93046E-18 -18.0313 0.81519E+00 -0.0887 90 H2S,aq 0.26223E-11 -11.5813 0.26221E-11 -11.5813 0.99992E+00 0.0000 96 SO2,aq 0.64924E-17 -17.1876 0.64924E-17 -17.1876 0.10000E+01 0.0000 97 SO3-2 0.77733E-15 -15.1094 0.70307E-15 -15.1530 0.90446E+00 -0.0436 98 HSO3- 0.23443E-13 -13.6300 0.22556E-13 -13.6467 0.96213E+00 -0.0168 99 HSO4- 0.12138E-07 -7.9159 0.11679E-07 -7.9326 0.96218E+00 -0.0167 101 S2O3-2 0.78470E-18 -18.1053 0.70955E-18 -18.1490 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+ 0.5697190E-06 0.5724396E-05 0.5769782E-02 0.0000 2 H2O 0.1000000E+01 0.5550824E+02 0.9999863E+06 0.0000 3 Cl- 0.1379641E-03 0.1379742E-03 0.4891545E+01 2.3841 4 SO4-- 0.2539106E-04 0.2550444E-04 0.2449970E+01 7.8831 5 HCO3- 0.6332021E-05 0.1307000E-04 0.7974860E+00 1.0458 6 HS- 0.1654635E-11 0.3402365E-10 0.1125217E-05 -5.5370 7 Al+++ 0.1590922E-15 0.1064893E-06 0.2873207E-02 2.8961 8 H4SiO4 0.1143286E-04 0.1145406E-04 0.1100900E+01 -4.9418 9 Ca++ 0.1562770E-04 0.1573622E-04 0.6306691E+00 7.6723 10 Mg++ 0.8721436E-06 0.8730161E-06 0.2122453E-01 6.4189 11 Fe++ 0.5107626E-06 0.5401594E-06 0.3016594E-01 6.1866 12 K+ 0.2334624E-06 0.2335457E-06 0.9132001E-02 -0.3875 13 Na+ 0.1614449E-03 0.1614518E-03 0.3711703E+01 2.4523 14 Mn++ 0.1884779E-07 0.1907246E-07 0.1047791E-02 4.7536 15 HPO4-- 0.6486834E-09 0.6509336E-08 0.6247525E-03 3.2905 Component Tot moles Aq. moles Solid moles Gas moles 1 H+ -.5174367E-05 0.5724394E-05 -.1089876E-04 0.0000000E+00 2 H2O 0.5550824E+02 0.5550823E+02 0.7204803E-05 0.0000000E+00 3 Cl- 0.1379742E-03 0.1379742E-03 0.0000000E+00 0.0000000E+00 4 SO4-- 0.2553495E-04 0.2550444E-04 0.3051877E-07 0.0000000E+00 5 HCO3- 0.1307000E-04 0.1307000E-04 0.0000000E+00 0.0000000E+00 6 HS- -.3048475E-07 0.3402364E-10 -.3051877E-07 0.0000000E+00 7 Al+++ 0.3586816E-05 0.1064892E-06 0.3480327E-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 0.5401593E-06 0.2441502E-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 = 100.00 bar Mixer frac. = 0.0011000 Log Log Vol Gas or mineral Moles Moles Grams Grams Wt.% (cm3) diaspore 0.3480E-05 -5.458 0.2088E-03 -3.680 91.46 0.6216E-04 hematite 0.1221E-06 -6.913 0.1950E-04 -4.710 8.540 0.3695E-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: 1.0527 bar Gas Mole fraction phi Fugacity Partial P(bar) H2O,gas 0.9993E+00 0.9855 0.1037E+01 0.1052E+01 CO2,gas 0.7269E-03 1.0073 0.7708E-03 0.7652E-03 CH4,gas 0.6147E-15 1.0129 0.6555E-15 0.6471E-15 H2,gas 0.2924E-06 1.0006 0.3080E-06 0.3079E-06 H2S,gas 0.7295E-10 0.9959 0.7648E-10 0.7679E-10 S2,gas 0.2193E-26 1.0000 0.2309E-26 0.2309E-26 CO,gas 0.5842E-13 1.0000 0.6150E-13 0.6150E-13 SO3,gas 0.2450E-32 1.0000 0.2580E-32 0.2580E-32 SO2,gas 0.2855E-16 1.0000 0.3006E-16 0.3006E-16 HCl,gas 0.2296E-13 1.0000 0.2417E-13 0.2417E-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 2.90 2.90 0.00 0.000 -0.53079E-11 90 hematite 12.60 12.60 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 1.98 0.00 -1.98 -1.984 0.33882E+04 0.016 2 CO2,gas -6.36 -11.48 -5.11 -1.704 0.87304E+04 -3.113 3 CH4,gas 4.81 -12.37 -17.18 -4.296 0.29340E+05 -15.183 4 H2,gas 8.29 -0.22 -8.51 -4.864 0.14533E+05 -6.511 5 H2S,gas -5.94 -18.06 -12.12 -6.058 0.20689E+05 -10.116 6 S2,gas -7.03 -35.67 -28.64 -4.406 0.48896E+05 -26.637 7 CO,gas 3.51 -11.70 -15.21 -4.680 0.25973E+05 -13.211 8 SO3,gas 17.43 -17.16 -34.59 -8.647 0.59059E+05 -32.588 9 SO2,gas 1.14 -17.39 -18.52 -4.939 0.31626E+05 -16.522 10 HCl,gas 5.48 -10.14 -15.62 -7.808 0.26665E+05 -13.617 21 andalusite 5.06 0.85 -4.21 -0.421 0.71919E+04 24 anhydrite -5.28 -9.49 -4.21 -2.105 0.71870E+04 35 aragonite 0.99 -3.80 -4.79 -1.597 0.81792E+04 37 calcite 0.83 -3.80 -4.64 -1.546 0.79179E+04 41 carpholite-Fe 6.78 2.10 -4.69 -0.313 0.80044E+04 51 chloritoid-Fe 9.24 7.04 -2.20 -0.147 0.37595E+04 54 coesite -2.37 -4.94 -2.57 -0.857 0.43925E+04 59 corundum 8.43 5.79 -2.64 -0.240 0.45099E+04 61 cristobalite -2.55 -4.94 -2.39 -0.798 0.40854E+04 83 gibbsite 4.10 2.90 -1.20 -0.172 0.20512E+04 98 kaolinite -1.27 -4.09 -2.82 -0.256 0.48123E+04 99 kyanite 4.93 0.85 -4.08 -0.408 0.69687E+04 107 magnetite 20.13 18.78 -1.35 -0.110 0.23027E+04 147 quartz -2.98 -4.94 -1.96 -0.653 0.33464E+04 156 siderite -2.59 -5.29 -2.70 -0.901 0.46137E+04 157 sillimanite 5.32 0.85 -4.47 -0.447 0.76341E+04 178 topaz-H 4.67 0.85 -3.82 -0.347 0.65178E+04 179 tridymite -2.61 -4.94 -2.33 -0.776 0.39737E+04 193 akaganeite 7.77 6.30 -1.47 -0.318 0.25082E+04 200 chalcedony -2.79 -4.94 -2.15 -0.716 0.36667E+04 215 gypsum -4.92 -9.49 -4.56 -1.141 0.77937E+04 234 boehmite 4.43 2.90 -1.53 -0.256 0.26184E+04 236 ferrous-oxide 9.82 6.19 -3.64 -0.909 0.62112E+04 241 silica-amorphous -2.08 -4.94 -2.86 -0.954 0.48869E+04 Calculations done for 100.0000 Deg. C; 100.0000 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 = 8 Loop limit = 400 Temperature = 100.00 C Pressure = 100.00 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 = .2428164E-03 Osmotic coef. = 0.9906 True ionic strength = .2395661E-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+ 0.50443E-06 -6.2972 0.48537E-06 -6.3139 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 0.96209E+00 -0.0168 4 SO4-- 0.25392E-04 -4.5953 0.22958E-04 -4.6391 0.90414E+00 -0.0438 5 HCO3- 0.67294E-05 -5.1720 0.64745E-05 -5.1888 0.96212E+00 -0.0168 6 HS- 0.19286E-10 -10.7147 0.18555E-10 -10.7315 0.96210E+00 -0.0168 7 Al+++ 0.11045E-15 -15.9568 0.90011E-16 -16.0457 0.81494E+00 -0.0889 8 H4SiO4 0.12469E-04 -4.9042 0.12469E-04 -4.9042 0.10000E+01 0.0000 9 Ca++ 0.15742E-04 -4.8030 0.14231E-04 -4.8468 0.90403E+00 -0.0438 10 Mg++ 0.95134E-06 -6.0217 0.85997E-06 -6.0655 0.90395E+00 -0.0439 11 Fe++ 0.55267E-06 -6.2575 0.49960E-06 -6.3014 0.90397E+00 -0.0438 12 K+ 0.25469E-06 -6.5940 0.24504E-06 -6.6108 0.96212E+00 -0.0168 13 Na+ 0.16157E-03 -3.7916 0.15545E-03 -3.8084 0.96209E+00 -0.0168 14 Mn++ 0.20547E-07 -7.6872 0.18575E-07 -7.7311 0.90398E+00 -0.0438 15 HPO4-- 0.78917E-09 -9.1028 0.71353E-09 -9.1466 0.90414E+00 -0.0438 16 HSiO3- 0.26053E-07 -7.5841 0.25065E-07 -7.6009 0.96209E+00 -0.0168 17 Ca(HSiO3)+ 0.83065E-11 -11.0806 0.79919E-11 -11.0974 0.96213E+00 -0.0168 18 Mg(HSiO3)+ 0.62470E-12 -12.2043 0.60104E-12 -12.2211 0.96213E+00 -0.0168 19 NaHSiO3,aq 0.61882E-10 -10.2084 0.61882E-10 -10.2084 0.10000E+01 0.0000 20 AlO+ 0.51267E-10 -10.2902 0.49325E-10 -10.3069 0.96213E+00 -0.0168 21 AlOH+2 0.13266E-12 -12.8772 0.11993E-12 -12.9211 0.90400E+00 -0.0438 22 HAlO2,aq 0.20336E-07 -7.6917 0.20336E-07 -7.6917 0.10000E+01 0.0000 23 AlO2- 0.97244E-07 -7.0121 0.93555E-07 -7.0289 0.96206E+00 -0.0168 24 CH4,aq 0.51353E-17 -17.2894 0.51349E-17 -17.2895 0.99992E+00 0.0000 29 CO,aq 0.69809E-16 -16.1561 0.69809E-16 -16.1561 0.10000E+01 0.0000 30 CO2,aq 0.63364E-05 -5.1982 0.63359E-05 -5.1982 0.99992E+00 0.0000 31 CO3-2 0.13642E-08 -8.8651 0.12334E-08 -8.9089 0.90411E+00 -0.0438 32 CaCO3,aq 0.21497E-09 -9.6676 0.21497E-09 -9.6676 0.10000E+01 0.0000 33 Ca(HCO3)+ 0.24130E-08 -8.6174 0.23216E-08 -8.6342 0.96213E+00 -0.0168 34 CaCl+ 0.31284E-08 -8.5047 0.30100E-08 -8.5214 0.96213E+00 -0.0168 35 CaCl2,aq 0.93024E-13 -13.0314 0.93024E-13 -13.0314 0.10000E+01 0.0000 36 CaOH+ 0.21488E-08 -8.6678 0.20674E-08 -8.6846 0.96213E+00 -0.0168 37 CaSO4,aq 0.10179E-06 -6.9923 0.10179E-06 -6.9923 0.10000E+01 0.0000 38 HCl,aq 0.12118E-10 -10.9166 0.12118E-10 -10.9166 0.10000E+01 0.0000 43 FeCl+ 0.10735E-09 -9.9692 0.10329E-09 -9.9860 0.96213E+00 -0.0168 44 FeCl2,aq 0.42519E-18 -18.3714 0.42519E-18 -18.3714 0.10000E+01 0.0000 46 FeO,aq 0.83863E-10 -10.0764 0.83863E-10 -10.0764 0.10000E+01 0.0000 47 FeOH+ 0.35468E-07 -7.4502 0.34125E-07 -7.4669 0.96213E+00 -0.0168 48 HFeO2- 0.19317E-11 -11.7141 0.18584E-11 -11.7308 0.96209E+00 -0.0168 49 FeO+ 0.41731E-11 -11.3795 0.40150E-11 -11.3963 0.96213E+00 -0.0168 50 FeOH+2 0.40113E-15 -15.3967 0.36262E-15 -15.4405 0.90400E+00 -0.0438 51 FeO2- 0.34816E-11 -11.4582 0.33497E-11 -11.4750 0.96209E+00 -0.0168 52 HFeO2,aq 0.20347E-09 -9.6915 0.20347E-09 -9.6915 0.10000E+01 0.0000 53 H2,aq 0.42782E-09 -9.3687 0.42779E-09 -9.3688 0.99992E+00 0.0000 54 KCl,aq 0.57591E-12 -12.2396 0.57591E-12 -12.2396 0.10000E+01 0.0000 55 KHSO4,aq 0.73066E-17 -17.1363 0.73066E-17 -17.1363 0.10000E+01 0.0000 56 KOH,aq 0.22009E-12 -12.6574 0.22009E-12 -12.6574 0.10000E+01 0.0000 57 KSO4- 0.90084E-10 -10.0454 0.86669E-10 -10.0621 0.96209E+00 -0.0168 58 MgCO3,aq 0.32460E-11 -11.4886 0.32460E-11 -11.4886 0.10000E+01 0.0000 59 Mg(HCO3)+ 0.14869E-09 -9.8277 0.14306E-09 -9.8445 0.96213E+00 -0.0168 60 MgCl+ 0.17163E-09 -9.7654 0.16513E-09 -9.7822 0.96213E+00 -0.0168 61 MgOH+ 0.71939E-09 -9.1430 0.69214E-09 -9.1598 0.96213E+00 -0.0168 63 MnO,aq 0.83233E-13 -13.0797 0.83233E-13 -13.0797 0.10000E+01 0.0000 64 MnOH+ 0.12250E-09 -9.9119 0.11786E-09 -9.9286 0.96213E+00 -0.0168 66 HMnO2- 0.13355E-17 -17.8743 0.12849E-17 -17.8911 0.96209E+00 -0.0168 69 MnCl+ 0.15509E-10 -10.8094 0.14922E-10 -10.8262 0.96213E+00 -0.0168 70 MnSO4,aq 0.12085E-09 -9.9178 0.12085E-09 -9.9178 0.10000E+01 0.0000 71 NaCl,aq 0.67372E-08 -8.1715 0.67372E-08 -8.1715 0.10000E+01 0.0000 72 NaOH,aq 0.14073E-09 -9.8516 0.14073E-09 -9.8516 0.10000E+01 0.0000 74 OH- 0.12846E-05 -5.8912 0.12358E-05 -5.9080 0.96206E+00 -0.0168 82 H3PO4,aq 0.10822E-11 -11.9657 0.10822E-11 -11.9657 0.10000E+01 0.0000 83 H2PO4- 0.63108E-08 -8.1999 0.60717E-08 -8.2167 0.96211E+00 -0.0168 84 PO4-3 0.15740E-14 -14.8030 0.12838E-14 -14.8915 0.81565E+00 -0.0885 87 H2P2O7-2 0.31913E-17 -17.4960 0.28853E-17 -17.5398 0.90411E+00 -0.0438 88 HP2O7-3 0.14958E-17 -17.8251 0.12190E-17 -17.9140 0.81494E+00 -0.0889 90 H2S,aq 0.27062E-10 -10.5676 0.27059E-10 -10.5677 0.99992E+00 0.0000 96 SO2,aq 0.96935E-17 -17.0135 0.96935E-17 -17.0135 0.10000E+01 0.0000 97 SO3-2 0.14807E-14 -14.8295 0.13391E-14 -14.8732 0.90434E+00 -0.0437 98 HSO3- 0.39535E-13 -13.4030 0.38036E-13 -13.4198 0.96209E+00 -0.0168 99 HSO4- 0.10746E-07 -7.9688 0.10339E-07 -7.9855 0.96214E+00 -0.0168 101 S2O3-2 0.80980E-17 -17.0916 0.73215E-17 -17.1354 0.90411E+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+ 0.5044349E-06 0.5056303E-05 0.5096392E-02 0.0000 2 H2O 0.1000000E+01 0.5550825E+02 0.9999862E+06 0.0000 3 Cl- 0.1379641E-03 0.1379742E-03 0.4891544E+01 2.4369 4 SO4-- 0.2539168E-04 0.2550435E-04 0.2449961E+01 7.9888 5 HCO3- 0.6729447E-05 0.1307000E-04 0.7974859E+00 1.1251 6 HS- 0.1928636E-10 0.1269233E-09 0.4197560E-05 -4.4176 7 Al+++ 0.1104513E-15 0.1176316E-06 0.3173841E-02 2.8961 8 H4SiO4 0.1246922E-04 0.1249534E-04 0.1200981E+01 -4.9042 9 Ca++ 0.1574153E-04 0.1585124E-04 0.6352786E+00 7.7811 10 Mg++ 0.9513377E-06 0.9523813E-06 0.2315403E-01 6.5623 11 Fe++ 0.5526740E-06 0.5885464E-06 0.3286817E-01 6.3265 12 K+ 0.2546863E-06 0.2547772E-06 0.9962182E-02 -0.2968 13 Na+ 0.1615704E-03 0.1615773E-03 0.3714588E+01 2.5055 14 Mn++ 0.2054738E-07 0.2080632E-07 0.1143045E-02 4.8968 15 HPO4-- 0.7891729E-09 0.7101094E-08 0.6815481E-03 3.4813 Component Tot moles Aq. moles Solid moles Gas moles 1 H+ -.6830218E-05 0.5056302E-05 -.1188652E-04 0.0000000E+00 2 H2O 0.5550824E+02 0.5550823E+02 0.7857581E-05 0.0000000E+00 3 Cl- 0.1379742E-03 0.1379742E-03 0.0000000E+00 0.0000000E+00 4 SO4-- 0.2553773E-04 0.2550434E-04 0.3338301E-07 0.0000000E+00 5 HCO3- 0.1307000E-04 0.1307000E-04 0.0000000E+00 0.0000000E+00 6 HS- -.3325609E-07 0.1269233E-09 -.3338301E-07 0.0000000E+00 7 Al+++ 0.3912890E-05 0.1176316E-06 0.3795258E-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 0.5885462E-06 0.2670641E-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: -.6353E-21 Mass of aqueous solution: 0.100001E+04 g Temperature = 100.00 C Pressure = 100.00 bar Mixer frac. = 0.0012000 Log Log Vol Gas or mineral Moles Moles Grams Grams Wt.% (cm3) diaspore 0.3795E-05 -5.421 0.2277E-03 -3.643 91.44 0.6778E-04 hematite 0.1335E-06 -6.874 0.2133E-04 -4.671 8.564 0.4042E-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: 1.0527 bar Gas Mole fraction phi Fugacity Partial P(bar) H2O,gas 0.9993E+00 0.9855 0.1037E+01 0.1052E+01 CO2,gas 0.6840E-03 1.0073 0.7253E-03 0.7200E-03 CH4,gas 0.7616E-14 1.0129 0.8120E-14 0.8017E-14 H2,gas 0.5571E-06 1.0006 0.5867E-06 0.5864E-06 H2S,gas 0.7528E-09 0.9959 0.7892E-09 0.7924E-09 S2,gas 0.6437E-25 1.0000 0.6776E-25 0.6776E-25 CO,gas 0.1047E-12 1.0000 0.1102E-12 0.1102E-12 SO3,gas 0.1921E-32 1.0000 0.2022E-32 0.2022E-32 SO2,gas 0.4263E-16 1.0000 0.4488E-16 0.4488E-16 HCl,gas 0.2033E-13 1.0000 0.2140E-13 0.2140E-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 2.90 2.90 0.00 0.000 0.37914E-11 90 hematite 12.60 12.60 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 1.98 0.00 -1.98 -1.984 0.33882E+04 0.016 2 CO2,gas -6.36 -11.50 -5.14 -1.713 0.87756E+04 -3.140 3 CH4,gas 4.81 -11.28 -16.09 -4.023 0.27474E+05 -14.090 4 H2,gas 8.29 0.06 -8.23 -4.704 0.14055E+05 -6.232 5 H2S,gas -5.94 -17.05 -11.10 -5.551 0.18958E+05 -9.103 6 S2,gas -7.03 -34.20 -27.17 -4.180 0.46390E+05 -25.169 7 CO,gas 3.51 -11.45 -14.96 -4.602 0.25540E+05 -12.958 8 SO3,gas 17.43 -17.27 -34.69 -8.674 0.59239E+05 -32.694 9 SO2,gas 1.14 -17.21 -18.35 -4.893 0.31329E+05 -16.348 10 HCl,gas 5.48 -10.19 -15.67 -7.835 0.26755E+05 -13.670 21 andalusite 5.06 0.89 -4.17 -0.417 0.71276E+04 24 anhydrite -5.28 -9.49 -4.21 -2.103 0.71818E+04 35 aragonite 0.99 -3.72 -4.71 -1.569 0.80385E+04 37 calcite 0.83 -3.72 -4.55 -1.518 0.77772E+04 41 carpholite-Fe 6.78 2.31 -4.47 -0.298 0.76368E+04 51 chloritoid-Fe 9.24 7.21 -2.02 -0.135 0.34562E+04 54 coesite -2.37 -4.90 -2.53 -0.845 0.43281E+04 59 corundum 8.43 5.79 -2.64 -0.240 0.45099E+04 61 cristobalite -2.55 -4.90 -2.35 -0.785 0.40210E+04 83 gibbsite 4.10 2.90 -1.20 -0.172 0.20512E+04 98 kaolinite -1.27 -4.02 -2.74 -0.249 0.46836E+04 99 kyanite 4.93 0.89 -4.04 -0.404 0.69044E+04 107 magnetite 20.13 18.92 -1.21 -0.099 0.20638E+04 147 quartz -2.98 -4.90 -1.92 -0.641 0.32820E+04 156 siderite -2.59 -5.18 -2.59 -0.863 0.44199E+04 157 sillimanite 5.32 0.89 -4.43 -0.443 0.75698E+04 178 topaz-H 4.67 0.89 -3.78 -0.344 0.64535E+04 179 tridymite -2.61 -4.90 -2.29 -0.763 0.39093E+04 193 akaganeite 7.77 6.30 -1.47 -0.318 0.25082E+04 200 chalcedony -2.79 -4.90 -2.11 -0.703 0.36024E+04 215 gypsum -4.92 -9.49 -4.56 -1.140 0.77885E+04 234 boehmite 4.43 2.90 -1.53 -0.256 0.26184E+04 236 ferrous-oxide 9.82 6.33 -3.50 -0.874 0.59723E+04 241 silica-amorphous -2.08 -4.90 -2.82 -0.941 0.48226E+04 Calculations done for 100.0000 Deg. C; 100.0000 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 = 100.00 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 = .2434280E-03 Osmotic coef. = 0.9906 True ionic strength = .2403633E-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+ 0.44822E-06 -6.3485 0.43127E-06 -6.3653 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-- 0.25392E-04 -4.5953 0.22955E-04 -4.6391 0.90402E+00 -0.0438 5 HCO3- 0.71138E-05 -5.1479 0.68441E-05 -5.1647 0.96209E+00 -0.0168 6 HS- 0.19325E-09 -9.7139 0.18592E-09 -9.7307 0.96206E+00 -0.0168 7 Al+++ 0.77505E-16 -16.1107 0.63142E-16 -16.1997 0.81469E+00 -0.0890 8 H4SiO4 0.13505E-04 -4.8695 0.13505E-04 -4.8695 0.10000E+01 0.0000 9 Ca++ 0.15855E-04 -4.7998 0.14332E-04 -4.8437 0.90390E+00 -0.0439 10 Mg++ 0.10305E-05 -5.9869 0.93141E-06 -6.0309 0.90383E+00 -0.0439 11 Fe++ 0.59076E-06 -6.2286 0.53395E-06 -6.2725 0.90385E+00 -0.0439 12 K+ 0.27591E-06 -6.5592 0.26545E-06 -6.5760 0.96209E+00 -0.0168 13 Na+ 0.16170E-03 -3.7913 0.15556E-03 -3.8081 0.96206E+00 -0.0168 14 Mn++ 0.22243E-07 -7.6528 0.20105E-07 -7.6967 0.90386E+00 -0.0439 15 HPO4-- 0.94906E-09 -9.0227 0.85797E-09 -9.0665 0.90402E+00 -0.0438 16 HSiO3- 0.31757E-07 -7.4982 0.30552E-07 -7.5150 0.96206E+00 -0.0168 17 Ca(HSiO3)+ 0.10197E-10 -10.9915 0.98105E-11 -11.0083 0.96209E+00 -0.0168 18 Mg(HSiO3)+ 0.82474E-12 -12.0837 0.79348E-12 -12.1005 0.96209E+00 -0.0168 19 NaHSiO3,aq 0.75485E-10 -10.1221 0.75485E-10 -10.1221 0.10000E+01 0.0000 20 AlO+ 0.45554E-10 -10.3415 0.43827E-10 -10.3583 0.96209E+00 -0.0168 21 AlOH+2 0.10475E-12 -12.9798 0.94683E-13 -13.0237 0.90388E+00 -0.0439 22 HAlO2,aq 0.20336E-07 -7.6917 0.20336E-07 -7.6917 0.10000E+01 0.0000 23 AlO2- 0.10945E-06 -6.9608 0.10529E-06 -6.9776 0.96203E+00 -0.0168 24 CH4,aq 0.54399E-16 -16.2644 0.54395E-16 -16.2644 0.99992E+00 0.0000 29 CO,aq 0.12016E-15 -15.9202 0.12016E-15 -15.9202 0.10000E+01 0.0000 30 CO2,aq 0.59515E-05 -5.2254 0.59511E-05 -5.2254 0.99992E+00 0.0000 31 CO3-2 0.16232E-08 -8.7896 0.14673E-08 -8.8335 0.90399E+00 -0.0438 32 CaCO3,aq 0.25756E-09 -9.5891 0.25756E-09 -9.5891 0.10000E+01 0.0000 33 Ca(HCO3)+ 0.25689E-08 -8.5903 0.24715E-08 -8.6070 0.96209E+00 -0.0168 34 CaCl+ 0.31506E-08 -8.5016 0.30312E-08 -8.5184 0.96209E+00 -0.0168 35 CaCl2,aq 0.93678E-13 -13.0284 0.93678E-13 -13.0284 0.10000E+01 0.0000 36 CaOH+ 0.24356E-08 -8.6134 0.23433E-08 -8.6302 0.96209E+00 -0.0168 37 CaSO4,aq 0.10250E-06 -6.9893 0.10250E-06 -6.9893 0.10000E+01 0.0000 38 HCl,aq 0.10767E-10 -10.9679 0.10767E-10 -10.9679 0.10000E+01 0.0000 43 FeCl+ 0.11473E-09 -9.9403 0.11038E-09 -9.9571 0.96209E+00 -0.0168 44 FeCl2,aq 0.45440E-18 -18.3426 0.45440E-18 -18.3426 0.10000E+01 0.0000 46 FeO,aq 0.11353E-09 -9.9449 0.11353E-09 -9.9449 0.10000E+01 0.0000 47 FeOH+ 0.42664E-07 -7.3699 0.41046E-07 -7.3867 0.96209E+00 -0.0168 48 HFeO2- 0.29431E-11 -11.5312 0.28314E-11 -11.5480 0.96206E+00 -0.0168 49 FeO+ 0.37080E-11 -11.4309 0.35675E-11 -11.4476 0.96209E+00 -0.0168 50 FeOH+2 0.31674E-15 -15.4993 0.28629E-15 -15.5432 0.90388E+00 -0.0439 51 FeO2- 0.39185E-11 -11.4069 0.37699E-11 -11.4237 0.96206E+00 -0.0168 52 HFeO2,aq 0.20347E-09 -9.6915 0.20347E-09 -9.6915 0.10000E+01 0.0000 53 H2,aq 0.78402E-09 -9.1057 0.78396E-09 -9.1057 0.99992E+00 0.0000 54 KCl,aq 0.62386E-12 -12.2049 0.62386E-12 -12.2049 0.10000E+01 0.0000 55 KHSO4,aq 0.70320E-17 -17.1529 0.70320E-17 -17.1529 0.10000E+01 0.0000 56 KOH,aq 0.26833E-12 -12.5713 0.26833E-12 -12.5713 0.10000E+01 0.0000 57 KSO4- 0.97578E-10 -10.0106 0.93876E-10 -10.0274 0.96206E+00 -0.0168 58 MgCO3,aq 0.41826E-11 -11.3786 0.41826E-11 -11.3786 0.10000E+01 0.0000 59 Mg(HCO3)+ 0.17025E-09 -9.7689 0.16379E-09 -9.7857 0.96209E+00 -0.0168 60 MgCl+ 0.18588E-09 -9.7308 0.17884E-09 -9.7475 0.96209E+00 -0.0168 61 MgOH+ 0.87692E-09 -9.0570 0.84368E-09 -9.0738 0.96209E+00 -0.0168 63 MnO,aq 0.11411E-12 -12.9427 0.11411E-12 -12.9427 0.10000E+01 0.0000 64 MnOH+ 0.14923E-09 -9.8261 0.14357E-09 -9.8429 0.96209E+00 -0.0168 66 HMnO2- 0.20608E-17 -17.6860 0.19826E-17 -17.7028 0.96206E+00 -0.0168 69 MnCl+ 0.16787E-10 -10.7750 0.16151E-10 -10.7918 0.96209E+00 -0.0168 70 MnSO4,aq 0.13079E-09 -9.8834 0.13079E-09 -9.8834 0.10000E+01 0.0000 71 NaCl,aq 0.67420E-08 -8.1712 0.67420E-08 -8.1712 0.10000E+01 0.0000 72 NaOH,aq 0.15850E-09 -9.8000 0.15850E-09 -9.8000 0.10000E+01 0.0000 74 OH- 0.14458E-05 -5.8399 0.13909E-05 -5.8567 0.96203E+00 -0.0168 82 H3PO4,aq 0.10273E-11 -11.9883 0.10273E-11 -11.9883 0.10000E+01 0.0000 83 H2PO4- 0.67428E-08 -8.1712 0.64871E-08 -8.1880 0.96208E+00 -0.0168 84 PO4-3 0.21307E-14 -14.6715 0.17374E-14 -14.7601 0.81541E+00 -0.0886 87 H2P2O7-2 0.36434E-17 -17.4385 0.32935E-17 -17.4823 0.90399E+00 -0.0438 88 HP2O7-3 0.19222E-17 -17.7162 0.15660E-17 -17.8052 0.81469E+00 -0.0890 90 H2S,aq 0.24093E-09 -9.6181 0.24091E-09 -9.6181 0.99992E+00 0.0000 96 SO2,aq 0.14023E-16 -16.8532 0.14023E-16 -16.8532 0.10000E+01 0.0000 97 SO3-2 0.27136E-14 -14.5665 0.24537E-14 -14.6102 0.90422E+00 -0.0437 98 HSO3- 0.64369E-13 -13.1913 0.61927E-13 -13.2081 0.96206E+00 -0.0168 99 HSO4- 0.95471E-08 -8.0201 0.91854E-08 -8.0369 0.96211E+00 -0.0168 101 S2O3-2 0.72096E-16 -16.1421 0.65174E-16 -16.1859 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+ 0.4482236E-06 0.4390807E-05 0.4425619E-02 0.0000 2 H2O 0.1000000E+01 0.5550825E+02 0.9999861E+06 0.0000 3 Cl- 0.1379640E-03 0.1379742E-03 0.4891544E+01 2.4882 4 SO4-- 0.2539177E-04 0.2550388E-04 0.2449915E+01 8.0914 5 HCO3- 0.7113845E-05 0.1307000E-04 0.7974859E+00 1.2006 6 HS- 0.1932512E-09 0.6038114E-09 0.1996902E-04 -3.3654 7 Al+++ 0.7750466E-16 0.1298285E-06 0.3502928E-02 2.8961 8 H4SiO4 0.1350478E-04 0.1353662E-04 0.1301063E+01 -4.8695 9 Ca++ 0.1585533E-04 0.1596625E-04 0.6398880E+00 7.8868 10 Mg++ 0.1030508E-05 0.1031746E-05 0.2508353E-01 6.6997 11 Fe++ 0.5907556E-06 0.6338615E-06 0.3539885E-01 6.4580 12 K+ 0.2759101E-06 0.2760086E-06 0.1079236E-01 -0.2108 13 Na+ 0.1616959E-03 0.1617029E-03 0.3717474E+01 2.5572 14 Mn++ 0.2224326E-07 0.2254018E-07 0.1238298E-02 5.0338 15 HPO4-- 0.9490563E-09 0.7692853E-08 0.7383437E-03 3.6640 Component Tot moles Aq. moles Solid moles Gas moles 1 H+ -.8486070E-05 0.4390805E-05 -.1287688E-04 0.0000000E+00 2 H2O 0.5550823E+02 0.5550823E+02 0.8511321E-05 0.0000000E+00 3 Cl- 0.1379742E-03 0.1379742E-03 0.0000000E+00 0.0000000E+00 4 SO4-- 0.2554050E-04 0.2550387E-04 0.3663124E-07 0.0000000E+00 5 HCO3- 0.1307000E-04 0.1307000E-04 0.0000000E+00 0.0000000E+00 6 HS- -.3602743E-07 0.6038111E-09 -.3663124E-07 0.0000000E+00 7 Al+++ 0.4238964E-05 0.1298285E-06 0.4109136E-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 0.6338612E-06 0.2930499E-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: -.4235E-21 Mass of aqueous solution: 0.100001E+04 g Temperature = 100.00 C Pressure = 100.00 bar Mixer frac. = 0.0013000 Log Log Vol Gas or mineral Moles Moles Grams Grams Wt.% (cm3) diaspore 0.4109E-05 -5.386 0.2465E-03 -3.608 91.33 0.7339E-04 hematite 0.1465E-06 -6.834 0.2340E-04 -4.631 8.670 0.4435E-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: 1.0526 bar Gas Mole fraction phi Fugacity Partial P(bar) H2O,gas 0.9994E+00 0.9855 0.1037E+01 0.1052E+01 CO2,gas 0.6425E-03 1.0073 0.6812E-03 0.6763E-03 CH4,gas 0.8068E-13 1.0129 0.8602E-13 0.8492E-13 H2,gas 0.1021E-05 1.0006 0.1075E-05 0.1075E-05 H2S,gas 0.6702E-08 0.9959 0.7026E-08 0.7055E-08 S2,gas 0.1519E-23 1.0000 0.1599E-23 0.1599E-23 CO,gas 0.1802E-12 1.0000 0.1897E-12 0.1897E-12 SO3,gas 0.1516E-32 1.0000 0.1596E-32 0.1596E-32 SO2,gas 0.6168E-16 1.0000 0.6492E-16 0.6492E-16 HCl,gas 0.1806E-13 1.0000 0.1901E-13 0.1901E-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 2.90 2.90 0.00 0.000 -0.22748E-11 90 hematite 12.60 12.60 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 1.98 0.00 -1.98 -1.984 0.33882E+04 0.016 2 CO2,gas -6.36 -11.53 -5.17 -1.722 0.88220E+04 -3.167 3 CH4,gas 4.81 -10.26 -15.07 -3.766 0.25724E+05 -13.065 4 H2,gas 8.29 0.32 -7.97 -4.553 0.13606E+05 -5.968 5 H2S,gas -5.94 -16.10 -10.15 -5.077 0.17336E+05 -8.153 6 S2,gas -7.03 -32.83 -25.80 -3.969 0.44046E+05 -23.796 7 CO,gas 3.51 -11.21 -14.72 -4.530 0.25137E+05 -12.722 8 SO3,gas 17.43 -17.37 -34.80 -8.699 0.59415E+05 -32.797 9 SO2,gas 1.14 -17.05 -18.19 -4.850 0.31055E+05 -16.188 10 HCl,gas 5.48 -10.24 -15.72 -7.860 0.26843E+05 -13.721 21 andalusite 5.06 0.92 -4.14 -0.414 0.70684E+04 24 anhydrite -5.28 -9.48 -4.20 -2.102 0.71767E+04 35 aragonite 0.99 -3.64 -4.63 -1.543 0.79045E+04 37 calcite 0.83 -3.64 -4.48 -1.492 0.76432E+04 41 carpholite-Fe 6.78 2.51 -4.27 -0.285 0.72938E+04 51 chloritoid-Fe 9.24 7.38 -1.86 -0.124 0.31725E+04 54 coesite -2.37 -4.87 -2.50 -0.833 0.42690E+04 59 corundum 8.43 5.79 -2.64 -0.240 0.45099E+04 61 cristobalite -2.55 -4.87 -2.32 -0.773 0.39618E+04 83 gibbsite 4.10 2.90 -1.20 -0.172 0.20512E+04 98 kaolinite -1.27 -3.95 -2.67 -0.243 0.45653E+04 99 kyanite 4.93 0.92 -4.01 -0.401 0.68452E+04 107 magnetite 20.13 19.06 -1.08 -0.088 0.18392E+04 142 pyrite -21.23 -26.05 -4.83 -1.136 0.82418E+04 144 pyrrhotiteFe0.875 -6.00 -10.48 -4.48 -1.649 0.76557E+04 147 quartz -2.98 -4.87 -1.89 -0.629 0.32229E+04 156 siderite -2.59 -5.07 -2.48 -0.828 0.42418E+04 157 sillimanite 5.32 0.92 -4.40 -0.440 0.75106E+04 178 topaz-H 4.67 0.92 -3.74 -0.340 0.63943E+04 179 tridymite -2.61 -4.87 -2.25 -0.752 0.38502E+04 193 akaganeite 7.77 6.30 -1.47 -0.318 0.25082E+04 200 chalcedony -2.79 -4.87 -2.08 -0.692 0.35432E+04 215 gypsum -4.92 -9.48 -4.56 -1.140 0.77834E+04 234 boehmite 4.43 2.90 -1.53 -0.256 0.26184E+04 236 ferrous-oxide 9.82 6.46 -3.37 -0.842 0.57477E+04 241 silica-amorphous -2.08 -4.87 -2.79 -0.930 0.47634E+04 Calculations done for 100.0000 Deg. C; 100.0000 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 = 100.00 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 = .2440058E-03 Osmotic coef. = 0.9906 True ionic strength = .2411185E-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+ 0.40141E-06 -6.3964 0.38621E-06 -6.4132 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 0.90391E+00 -0.0439 5 HCO3- 0.74692E-05 -5.1267 0.71857E-05 -5.1435 0.96206E+00 -0.0168 6 HS- 0.13517E-08 -8.8691 0.13004E-08 -8.8859 0.96203E+00 -0.0168 7 Al+++ 0.55677E-16 -16.2543 0.45347E-16 -16.3435 0.81445E+00 -0.0891 8 H4SiO4 0.14540E-04 -4.8374 0.14540E-04 -4.8374 0.10000E+01 0.0000 9 Ca++ 0.15969E-04 -4.7967 0.14433E-04 -4.8407 0.90379E+00 -0.0439 10 Mg++ 0.11097E-05 -5.9548 0.10028E-05 -5.9988 0.90372E+00 -0.0440 11 Fe++ 0.61264E-06 -6.2128 0.55367E-06 -6.2568 0.90373E+00 -0.0440 12 K+ 0.29713E-06 -6.5270 0.28586E-06 -6.5438 0.96206E+00 -0.0168 13 Na+ 0.16182E-03 -3.7910 0.15568E-03 -3.8078 0.96203E+00 -0.0168 14 Mn++ 0.23936E-07 -7.6210 0.21632E-07 -7.6649 0.90375E+00 -0.0440 15 HPO4-- 0.11252E-08 -8.9488 0.10171E-08 -8.9926 0.90391E+00 -0.0439 16 HSiO3- 0.38181E-07 -7.4182 0.36731E-07 -7.4350 0.96203E+00 -0.0168 17 Ca(HSiO3)+ 0.12346E-10 -10.9085 0.11878E-10 -10.9253 0.96206E+00 -0.0168 18 Mg(HSiO3)+ 0.10676E-11 -11.9716 0.10271E-11 -11.9884 0.96206E+00 -0.0168 19 NaHSiO3,aq 0.90819E-10 -10.0418 0.90819E-10 -10.0418 0.10000E+01 0.0000 20 AlO+ 0.40796E-10 -10.3894 0.39248E-10 -10.4062 0.96206E+00 -0.0168 21 AlOH+2 0.84017E-13 -13.0756 0.75932E-13 -13.1196 0.90376E+00 -0.0439 22 HAlO2,aq 0.20336E-07 -7.6917 0.20336E-07 -7.6917 0.10000E+01 0.0000 23 AlO2- 0.12222E-06 -6.9129 0.11758E-06 -6.9297 0.96200E+00 -0.0168 24 CH4,aq 0.39955E-15 -15.3984 0.39952E-15 -15.3985 0.99992E+00 0.0000 29 CO,aq 0.18887E-15 -15.7238 0.18887E-15 -15.7238 0.10000E+01 0.0000 30 CO2,aq 0.55957E-05 -5.2521 0.55953E-05 -5.2522 0.99992E+00 0.0000 31 CO3-2 0.19033E-08 -8.7205 0.17203E-08 -8.7644 0.90387E+00 -0.0439 32 CaCO3,aq 0.30409E-09 -9.5170 0.30409E-09 -9.5170 0.10000E+01 0.0000 33 Ca(HCO3)+ 0.27162E-08 -8.5660 0.26132E-08 -8.5828 0.96206E+00 -0.0168 34 CaCl+ 0.31728E-08 -8.4986 0.30525E-08 -8.5153 0.96206E+00 -0.0168 35 CaCl2,aq 0.94332E-13 -13.0253 0.94332E-13 -13.0253 0.10000E+01 0.0000 36 CaOH+ 0.27390E-08 -8.5624 0.26351E-08 -8.5792 0.96206E+00 -0.0168 37 CaSO4,aq 0.10320E-06 -6.9863 0.10320E-06 -6.9863 0.10000E+01 0.0000 38 HCl,aq 0.96417E-11 -11.0158 0.96417E-11 -11.0158 0.10000E+01 0.0000 43 FeCl+ 0.11897E-09 -9.9246 0.11445E-09 -9.9414 0.96206E+00 -0.0168 44 FeCl2,aq 0.47114E-18 -18.3268 0.47114E-18 -18.3268 0.10000E+01 0.0000 46 FeO,aq 0.14679E-09 -9.8333 0.14679E-09 -9.8333 0.10000E+01 0.0000 47 FeOH+ 0.49402E-07 -7.3063 0.47527E-07 -7.3231 0.96206E+00 -0.0168 48 HFeO2- 0.42495E-11 -11.3717 0.40881E-11 -11.3885 0.96203E+00 -0.0168 49 FeO+ 0.33207E-11 -11.4788 0.31947E-11 -11.4956 0.96206E+00 -0.0168 50 FeOH+2 0.25404E-15 -15.5951 0.22959E-15 -15.6390 0.90376E+00 -0.0439 51 FeO2- 0.43759E-11 -11.3589 0.42097E-11 -11.3757 0.96203E+00 -0.0168 52 HFeO2,aq 0.20347E-09 -9.6915 0.20347E-09 -9.6915 0.10000E+01 0.0000 53 H2,aq 0.13107E-08 -8.8825 0.13106E-08 -8.8825 0.99992E+00 0.0000 54 KCl,aq 0.67180E-12 -12.1728 0.67180E-12 -12.1728 0.10000E+01 0.0000 55 KHSO4,aq 0.67801E-17 -17.1688 0.67801E-17 -17.1688 0.10000E+01 0.0000 56 KOH,aq 0.32268E-12 -12.4912 0.32268E-12 -12.4912 0.10000E+01 0.0000 57 KSO4- 0.10506E-09 -9.9786 0.10107E-09 -9.9954 0.96203E+00 -0.0168 58 MgCO3,aq 0.52797E-11 -11.2774 0.52797E-11 -11.2774 0.10000E+01 0.0000 59 Mg(HCO3)+ 0.19245E-09 -9.7157 0.18515E-09 -9.7325 0.96206E+00 -0.0168 60 MgCl+ 0.20013E-09 -9.6987 0.19254E-09 -9.7155 0.96206E+00 -0.0168 61 MgOH+ 0.10543E-08 -8.9770 0.10143E-08 -8.9938 0.96206E+00 -0.0168 63 MnO,aq 0.15310E-12 -12.8150 0.15310E-12 -12.8150 0.10000E+01 0.0000 64 MnOH+ 0.17930E-09 -9.7464 0.17250E-09 -9.7632 0.96206E+00 -0.0168 66 HMnO2- 0.30876E-17 -17.5104 0.29703E-17 -17.5272 0.96203E+00 -0.0168 69 MnCl+ 0.18062E-10 -10.7432 0.17377E-10 -10.7600 0.96206E+00 -0.0168 70 MnSO4,aq 0.14069E-09 -9.8517 0.14069E-09 -9.8517 0.10000E+01 0.0000 71 NaCl,aq 0.67468E-08 -8.1709 0.67468E-08 -8.1709 0.10000E+01 0.0000 72 NaOH,aq 0.17712E-09 -9.7517 0.17712E-09 -9.7517 0.10000E+01 0.0000 74 OH- 0.16145E-05 -5.7920 0.15531E-05 -5.8088 0.96200E+00 -0.0168 82 H3PO4,aq 0.97667E-12 -12.0103 0.97667E-12 -12.0103 0.10000E+01 0.0000 83 H2PO4- 0.71584E-08 -8.1452 0.68867E-08 -8.1620 0.96205E+00 -0.0168 84 PO4-3 0.28214E-14 -14.5495 0.22999E-14 -14.6383 0.81517E+00 -0.0887 87 H2P2O7-2 0.41066E-17 -17.3865 0.37119E-17 -17.4304 0.90387E+00 -0.0439 88 HP2O7-3 0.24198E-17 -17.6162 0.19708E-17 -17.7054 0.81446E+00 -0.0891 90 H2S,aq 0.15090E-08 -8.8213 0.15089E-08 -8.8213 0.99992E+00 0.0000 91 S2-2 0.31394E-19 -19.5032 0.28376E-19 -19.5471 0.90387E+00 -0.0439 96 SO2,aq 0.18797E-16 -16.7259 0.18797E-16 -16.7259 0.10000E+01 0.0000 97 SO3-2 0.45362E-14 -14.3433 0.41012E-14 -14.3871 0.90411E+00 -0.0438 98 HSO3- 0.96352E-13 -13.0161 0.92693E-13 -13.0330 0.96203E+00 -0.0168 99 HSO4- 0.85481E-08 -8.0681 0.82240E-08 -8.0849 0.96208E+00 -0.0168 101 S2O3-2 0.45153E-15 -15.3453 0.40813E-15 -15.3892 0.90387E+00 -0.0439 102 HS2O3- 0.29241E-19 -19.5340 0.28131E-19 -19.5508 0.96203E+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+ 0.4014056E-06 0.3754816E-05 0.3784585E-02 0.0000 2 H2O 0.1000000E+01 0.5550825E+02 0.9999860E+06 0.0000 3 Cl- 0.1379640E-03 0.1379742E-03 0.4891543E+01 2.5361 4 SO4-- 0.2538962E-04 0.2550132E-04 0.2449669E+01 8.1871 5 HCO3- 0.7469151E-05 0.1307001E-04 0.7974858E+00 1.2697 6 HS- 0.1351683E-08 0.3162028E-08 0.1045734E-03 -2.4728 7 Al+++ 0.5567717E-16 0.1425969E-06 0.3847433E-02 2.8961 8 H4SiO4 0.1453962E-04 0.1457790E-04 0.1401145E+01 -4.8374 9 Ca++ 0.1596912E-04 0.1608127E-04 0.6444975E+00 7.9857 10 Mg++ 0.1109658E-05 0.1111112E-05 0.2701303E-01 6.8276 11 Fe++ 0.6126432E-06 0.6625259E-06 0.3699965E-01 6.5696 12 K+ 0.2971340E-06 0.2972400E-06 0.1162254E-01 -0.1307 13 Na+ 0.1618214E-03 0.1618284E-03 0.3720359E+01 2.6054 14 Mn++ 0.2393583E-07 0.2427404E-07 0.1333552E-02 5.1615 15 HPO4-- 0.1125219E-08 0.8284611E-08 0.7951394E-03 3.8337 Component Tot moles Aq. moles Solid moles Gas moles 1 H+ -.1014192E-04 0.3754815E-05 -.1389674E-04 0.0000000E+00 2 H2O 0.5550823E+02 0.5550822E+02 0.9180569E-05 0.0000000E+00 3 Cl- 0.1379742E-03 0.1379742E-03 0.0000000E+00 0.0000000E+00 4 SO4-- 0.2554327E-04 0.2550131E-04 0.4196080E-07 0.0000000E+00 5 HCO3- 0.1307000E-04 0.1307000E-04 0.0000000E+00 0.0000000E+00 6 HS- -.3879877E-07 0.3162027E-08 -.4196080E-07 0.0000000E+00 7 Al+++ 0.4565038E-05 0.1425968E-06 0.4422441E-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 0.6625256E-06 0.3356864E-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: -.4235E-21 Mass of aqueous solution: 0.100001E+04 g Temperature = 100.00 C Pressure = 100.00 bar Mixer frac. = 0.0014000 Log Log Vol Gas or mineral Moles Moles Grams Grams Wt.% (cm3) diaspore 0.4422E-05 -5.354 0.2653E-03 -3.576 90.82 0.7898E-04 hematite 0.1678E-06 -6.775 0.2680E-04 -4.572 9.176 0.5080E-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 = 0.000292 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: 1.0526 bar Gas Mole fraction phi Fugacity Partial P(bar) H2O,gas 0.9994E+00 0.9855 0.1037E+01 0.1052E+01 CO2,gas 0.6041E-03 1.0073 0.6405E-03 0.6358E-03 CH4,gas 0.5926E-12 1.0129 0.6318E-12 0.6237E-12 H2,gas 0.1707E-05 1.0006 0.1798E-05 0.1797E-05 H2S,gas 0.4198E-07 0.9959 0.4401E-07 0.4419E-07 S2,gas 0.2133E-22 1.0000 0.2245E-22 0.2245E-22 CO,gas 0.2833E-12 1.0000 0.2982E-12 0.2982E-12 SO3,gas 0.1216E-32 1.0000 0.1280E-32 0.1280E-32 SO2,gas 0.8268E-16 1.0000 0.8703E-16 0.8703E-16 HCl,gas 0.1617E-13 1.0000 0.1702E-13 0.1702E-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 2.90 2.90 0.00 0.000 0.37914E-11 90 hematite 12.60 12.60 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 1.98 0.00 -1.98 -1.984 0.33882E+04 0.016 2 CO2,gas -6.36 -11.56 -5.19 -1.731 0.88677E+04 -3.193 3 CH4,gas 4.81 -9.39 -14.20 -3.550 0.24245E+05 -12.199 4 H2,gas 8.29 0.54 -7.75 -4.426 0.13225E+05 -5.745 5 H2S,gas -5.94 -15.30 -9.36 -4.678 0.15976E+05 -7.356 6 S2,gas -7.03 -31.68 -24.65 -3.792 0.42087E+05 -22.649 7 CO,gas 3.51 -11.02 -14.53 -4.469 0.24802E+05 -12.525 8 SO3,gas 17.43 -17.47 -34.89 -8.723 0.59579E+05 -32.893 9 SO2,gas 1.14 -16.92 -18.06 -4.816 0.30838E+05 -16.060 10 HCl,gas 5.48 -10.29 -15.77 -7.884 0.26925E+05 -13.769 21 andalusite 5.06 0.95 -4.11 -0.411 0.70137E+04 24 anhydrite -5.28 -9.48 -4.20 -2.100 0.71716E+04 35 aragonite 0.99 -3.57 -4.56 -1.519 0.77813E+04 37 calcite 0.83 -3.57 -4.40 -1.468 0.75200E+04 41 carpholite-Fe 6.78 2.69 -4.10 -0.273 0.69938E+04 47 daphnite 29.09 24.13 -4.97 -0.155 0.84799E+04 51 chloritoid-Fe 9.24 7.52 -1.71 -0.114 0.29272E+04 54 coesite -2.37 -4.84 -2.47 -0.823 0.42142E+04 59 corundum 8.43 5.79 -2.64 -0.240 0.45099E+04 61 cristobalite -2.55 -4.84 -2.29 -0.763 0.39071E+04 83 gibbsite 4.10 2.90 -1.20 -0.172 0.20512E+04 92 hercynite 17.34 12.36 -4.98 -0.332 0.85079E+04 98 kaolinite -1.27 -3.88 -2.61 -0.237 0.44558E+04 99 kyanite 4.93 0.95 -3.98 -0.398 0.67905E+04 107 magnetite 20.13 19.17 -0.97 -0.079 0.16487E+04 142 pyrite -21.23 -24.57 -3.34 -0.787 0.57113E+04 143 pyrrhotite -4.24 -8.73 -4.49 -1.495 0.76596E+04 144 pyrrhotiteFe0.875 -6.00 -9.62 -3.62 -1.330 0.61757E+04 147 quartz -2.98 -4.84 -1.86 -0.618 0.31681E+04 156 siderite -2.59 -4.99 -2.40 -0.800 0.40970E+04 157 sillimanite 5.32 0.95 -4.37 -0.437 0.74559E+04 178 topaz-H 4.67 0.95 -3.71 -0.338 0.63396E+04 179 tridymite -2.61 -4.84 -2.22 -0.741 0.37954E+04 182 troilite-low -4.39 -8.73 -4.34 -1.445 0.74028E+04 193 akaganeite 7.77 6.30 -1.47 -0.318 0.25082E+04 200 chalcedony -2.79 -4.84 -2.04 -0.681 0.34884E+04 215 gypsum -4.92 -9.48 -4.56 -1.139 0.77783E+04 234 boehmite 4.43 2.90 -1.53 -0.256 0.26184E+04 236 ferrous-oxide 9.82 6.57 -3.25 -0.814 0.55572E+04 241 silica-amorphous -2.08 -4.84 -2.76 -0.919 0.47086E+04 Calculations done for 100.0000 Deg. C; 100.0000 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 = 8 Loop limit = 400 Temperature = 100.00 C Pressure = 100.00 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 = .2445015E-03 Osmotic coef. = 0.9906 True ionic strength = .2417743E-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+ 0.36446E-06 -6.4383 0.35065E-06 -6.4551 0.96211E+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-- 0.25383E-04 -4.5955 0.22941E-04 -4.6394 0.90381E+00 -0.0439 5 HCO3- 0.77756E-05 -5.1093 0.74803E-05 -5.1261 0.96203E+00 -0.0168 6 HS- 0.49044E-08 -8.3094 0.47180E-08 -8.3262 0.96201E+00 -0.0168 7 Al+++ 0.41682E-16 -16.3801 0.33940E-16 -16.4693 0.81425E+00 -0.0892 8 H4SiO4 0.15574E-04 -4.8076 0.15574E-04 -4.8076 0.10000E+01 0.0000 9 Ca++ 0.16083E-04 -4.7936 0.14534E-04 -4.8376 0.90369E+00 -0.0440 10 Mg++ 0.11888E-05 -5.9249 0.10742E-05 -5.9689 0.90362E+00 -0.0440 11 Fe++ 0.60061E-06 -6.2214 0.54273E-06 -6.2654 0.90363E+00 -0.0440 12 K+ 0.31836E-06 -6.4971 0.30627E-06 -6.5139 0.96203E+00 -0.0168 13 Na+ 0.16195E-03 -3.7906 0.15579E-03 -3.8075 0.96200E+00 -0.0168 14 Mn++ 0.25626E-07 -7.5913 0.23157E-07 -7.6353 0.90365E+00 -0.0440 15 HPO4-- 0.13099E-08 -8.8828 0.11839E-08 -8.9267 0.90381E+00 -0.0439 16 HSiO3- 0.45046E-07 -7.3463 0.43334E-07 -7.3632 0.96200E+00 -0.0168 17 Ca(HSiO3)+ 0.14668E-10 -10.8336 0.14111E-10 -10.8504 0.96204E+00 -0.0168 18 Mg(HSiO3)+ 0.13492E-11 -11.8699 0.12980E-11 -11.8867 0.96204E+00 -0.0168 19 NaHSiO3,aq 0.10722E-09 -9.9697 0.10722E-09 -9.9697 0.10000E+01 0.0000 20 AlO+ 0.37041E-10 -10.4313 0.35635E-10 -10.4481 0.96204E+00 -0.0168 21 AlOH+2 0.69267E-13 -13.1595 0.62594E-13 -13.2035 0.90366E+00 -0.0440 22 HAlO2,aq 0.20336E-07 -7.6917 0.20336E-07 -7.6917 0.10000E+01 0.0000 23 AlO2- 0.13462E-06 -6.8709 0.12950E-06 -6.8877 0.96197E+00 -0.0168 24 CH4,aq 0.15097E-14 -14.8211 0.15096E-14 -14.8211 0.99992E+00 0.0000 29 CO,aq 0.25242E-15 -15.5979 0.25242E-15 -15.5979 0.10000E+01 0.0000 30 CO2,aq 0.52888E-05 -5.2766 0.52884E-05 -5.2767 0.99992E+00 0.0000 31 CO3-2 0.21824E-08 -8.6611 0.19724E-08 -8.7050 0.90377E+00 -0.0439 32 CaCO3,aq 0.35110E-09 -9.4546 0.35110E-09 -9.4546 0.10000E+01 0.0000 33 Ca(HCO3)+ 0.28475E-08 -8.5455 0.27394E-08 -8.5623 0.96204E+00 -0.0168 34 CaCl+ 0.31951E-08 -8.4955 0.30738E-08 -8.5123 0.96204E+00 -0.0168 35 CaCl2,aq 0.94988E-13 -13.0223 0.94988E-13 -13.0223 0.10000E+01 0.0000 36 CaOH+ 0.30380E-08 -8.5174 0.29227E-08 -8.5342 0.96204E+00 -0.0168 37 CaSO4,aq 0.10389E-06 -6.9834 0.10389E-06 -6.9834 0.10000E+01 0.0000 38 HCl,aq 0.87538E-11 -11.0578 0.87538E-11 -11.0578 0.10000E+01 0.0000 43 FeCl+ 0.11662E-09 -9.9332 0.11219E-09 -9.9500 0.96204E+00 -0.0168 44 FeCl2,aq 0.46181E-18 -18.3355 0.46181E-18 -18.3355 0.10000E+01 0.0000 46 FeO,aq 0.17455E-09 -9.7581 0.17455E-09 -9.7581 0.10000E+01 0.0000 47 FeOH+ 0.53338E-07 -7.2730 0.51313E-07 -7.2898 0.96204E+00 -0.0168 48 HFeO2- 0.55657E-11 -11.2545 0.53542E-11 -11.2713 0.96200E+00 -0.0168 49 FeO+ 0.30151E-11 -11.5207 0.29006E-11 -11.5375 0.96204E+00 -0.0168 50 FeOH+2 0.20944E-15 -15.6789 0.18926E-15 -15.7229 0.90366E+00 -0.0440 51 FeO2- 0.48197E-11 -11.3170 0.46366E-11 -11.3338 0.96200E+00 -0.0168 52 HFeO2,aq 0.20347E-09 -9.6915 0.20347E-09 -9.6915 0.10000E+01 0.0000 53 H2,aq 0.18534E-08 -8.7320 0.18532E-08 -8.7321 0.99992E+00 0.0000 54 KCl,aq 0.71975E-12 -12.1428 0.71975E-12 -12.1428 0.10000E+01 0.0000 55 KHSO4,aq 0.65929E-17 -17.1809 0.65929E-17 -17.1809 0.10000E+01 0.0000 56 KOH,aq 0.38077E-12 -12.4193 0.38077E-12 -12.4193 0.10000E+01 0.0000 57 KSO4- 0.11252E-09 -9.9488 0.10825E-09 -9.9656 0.96200E+00 -0.0168 58 MgCO3,aq 0.64844E-11 -11.1881 0.64844E-11 -11.1881 0.10000E+01 0.0000 59 Mg(HCO3)+ 0.21461E-09 -9.6683 0.20646E-09 -9.6852 0.96204E+00 -0.0168 60 MgCl+ 0.21438E-09 -9.6688 0.20624E-09 -9.6856 0.96204E+00 -0.0168 61 MgOH+ 0.12440E-08 -8.9052 0.11967E-08 -8.9220 0.96204E+00 -0.0168 63 MnO,aq 0.19882E-12 -12.7015 0.19882E-12 -12.7015 0.10000E+01 0.0000 64 MnOH+ 0.21142E-09 -9.6749 0.20339E-09 -9.6917 0.96204E+00 -0.0168 66 HMnO2- 0.44163E-17 -17.3549 0.42485E-17 -17.3718 0.96200E+00 -0.0168 69 MnCl+ 0.19335E-10 -10.7136 0.18601E-10 -10.7305 0.96204E+00 -0.0168 70 MnSO4,aq 0.15056E-09 -9.8223 0.15056E-09 -9.8223 0.10000E+01 0.0000 71 NaCl,aq 0.67516E-08 -8.1706 0.67516E-08 -8.1706 0.10000E+01 0.0000 72 NaOH,aq 0.19523E-09 -9.7095 0.19523E-09 -9.7095 0.10000E+01 0.0000 74 OH- 0.17783E-05 -5.7500 0.17106E-05 -5.7668 0.96197E+00 -0.0168 82 H3PO4,aq 0.93716E-12 -12.0282 0.93716E-12 -12.0282 0.10000E+01 0.0000 83 H2PO4- 0.75655E-08 -8.1212 0.72782E-08 -8.1380 0.96202E+00 -0.0168 84 PO4-3 0.36180E-14 -14.4415 0.29486E-14 -14.5304 0.81497E+00 -0.0889 87 H2P2O7-2 0.45873E-17 -17.3384 0.41458E-17 -17.3824 0.90377E+00 -0.0439 88 HP2O7-3 0.29774E-17 -17.5262 0.24244E-17 -17.6154 0.81426E+00 -0.0892 90 H2S,aq 0.49710E-08 -8.3036 0.49707E-08 -8.3036 0.99992E+00 0.0000 91 S2-2 0.29230E-18 -18.5342 0.26417E-18 -18.5781 0.90377E+00 -0.0439 96 SO2,aq 0.21902E-16 -16.6595 0.21902E-16 -16.6595 0.10000E+01 0.0000 97 SO3-2 0.64125E-14 -14.1930 0.57969E-14 -14.2368 0.90401E+00 -0.0438 98 HSO3- 0.12366E-12 -12.9078 0.11896E-12 -12.9246 0.96200E+00 -0.0168 99 HSO4- 0.77584E-08 -8.1102 0.74640E-08 -8.1270 0.96205E+00 -0.0168 101 S2O3-2 0.14870E-14 -14.8277 0.13439E-14 -14.8716 0.90377E+00 -0.0439 102 HS2O3- 0.87427E-19 -19.0584 0.84105E-19 -19.0752 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+ 0.3644601E-06 0.3188833E-05 0.3214114E-02 0.0000 2 H2O 0.1000000E+01 0.5550825E+02 0.9999859E+06 0.0000 3 Cl- 0.1379639E-03 0.1379742E-03 0.4891543E+01 2.5781 4 SO4-- 0.2538270E-04 0.2549417E-04 0.2448982E+01 8.2709 5 HCO3- 0.7775564E-05 0.1307001E-04 0.7974857E+00 1.3290 6 HS- 0.4904354E-08 0.1031237E-07 0.3410466E-03 -1.8711 7 Al+++ 0.4168207E-16 0.1549900E-06 0.4181814E-02 2.8961 8 H4SiO4 0.1557401E-04 0.1561918E-04 0.1501226E+01 -4.8076 9 Ca++ 0.1608295E-04 0.1619628E-04 0.6491069E+00 8.0726 10 Mg++ 0.1188796E-05 0.1190477E-05 0.2894253E-01 6.9413 11 Fe++ 0.6006077E-06 0.6544534E-06 0.3654883E-01 6.6448 12 K+ 0.3183579E-06 0.3184715E-06 0.1245272E-01 -0.0588 13 Na+ 0.1619469E-03 0.1619539E-03 0.3723245E+01 2.6477 14 Mn++ 0.2562640E-07 0.2600791E-07 0.1428805E-02 5.2749 15 HPO4-- 0.1309907E-08 0.8876369E-08 0.8519350E-03 3.9836 Component Tot moles Aq. moles Solid moles Gas moles 1 H+ -.1179777E-04 0.3188831E-05 -.1498660E-04 0.0000000E+00 2 H2O 0.5550823E+02 0.5550822E+02 0.9887305E-05 0.0000000E+00 3 Cl- 0.1379742E-03 0.1379742E-03 0.0000000E+00 0.0000000E+00 4 SO4-- 0.2554604E-04 0.2549416E-04 0.5188248E-07 0.0000000E+00 5 HCO3- 0.1307000E-04 0.1307000E-04 0.0000000E+00 0.0000000E+00 6 HS- -.4157011E-07 0.1031236E-07 -.5188248E-07 0.0000000E+00 7 Al+++ 0.4891112E-05 0.1549899E-06 0.4736122E-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 0.6544531E-06 0.4150598E-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: -.6353E-21 Mass of aqueous solution: 0.100001E+04 g Temperature = 100.00 C Pressure = 100.00 bar Mixer frac. = 0.0015000 Log Log Vol Gas or mineral Moles Moles Grams Grams Wt.% (cm3) diaspore 0.4736E-05 -5.325 0.2841E-03 -3.546 89.55 0.8458E-04 hematite 0.2075E-06 -6.683 0.3314E-04 -4.480 10.45 0.6282E-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 = 0.000317 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: 1.0525 bar Gas Mole fraction phi Fugacity Partial P(bar) H2O,gas 0.9994E+00 0.9855 0.1037E+01 0.1052E+01 CO2,gas 0.5710E-03 1.0073 0.6054E-03 0.6010E-03 CH4,gas 0.2239E-11 1.0129 0.2387E-11 0.2357E-11 H2,gas 0.2414E-05 1.0006 0.2542E-05 0.2540E-05 H2S,gas 0.1383E-06 0.9959 0.1450E-06 0.1456E-06 S2,gas 0.1158E-21 1.0000 0.1218E-21 0.1218E-21 CO,gas 0.3787E-12 1.0000 0.3986E-12 0.3986E-12 SO3,gas 0.1002E-32 1.0000 0.1055E-32 0.1055E-32 SO2,gas 0.9634E-16 1.0000 0.1014E-15 0.1014E-15 HCl,gas 0.1469E-13 1.0000 0.1546E-13 0.1546E-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 2.90 2.90 0.00 0.000 0.37914E-11 90 hematite 12.60 12.60 0.00 0.000 -0.12132E-10 The following gases and minerals are presently EXCLUDED from matrix (Gases and minerals with log(Q/K) less than -5 are not listed below) Gas or Mineral Log K Log Q Log(Q/K) Log(Q/K)/S Affinity Log Fugacity 1 H2O,gas 1.98 0.00 -1.98 -1.984 0.33882E+04 0.016 2 CO2,gas -6.36 -11.58 -5.22 -1.739 0.89096E+04 -3.218 3 CH4,gas 4.81 -8.81 -13.62 -3.406 0.23259E+05 -11.622 4 H2,gas 8.29 0.69 -7.59 -4.340 0.12968E+05 -5.595 5 H2S,gas -5.94 -14.78 -8.84 -4.419 0.15092E+05 -6.839 6 S2,gas -7.03 -30.95 -23.91 -3.679 0.40833E+05 -21.914 7 CO,gas 3.51 -10.89 -14.40 -4.431 0.24587E+05 -12.399 8 SO3,gas 17.43 -17.55 -34.98 -8.744 0.59722E+05 -32.977 9 SO2,gas 1.14 -16.86 -17.99 -4.798 0.30724E+05 -15.994 10 HCl,gas 5.48 -10.33 -15.81 -7.905 0.26997E+05 -13.811 21 andalusite 5.06 0.98 -4.08 -0.408 0.69627E+04 24 anhydrite -5.28 -9.48 -4.20 -2.099 0.71667E+04 35 aragonite 0.99 -3.51 -4.49 -1.498 0.76747E+04 37 calcite 0.83 -3.51 -4.34 -1.447 0.74134E+04 41 carpholite-Fe 6.78 2.82 -3.96 -0.264 0.67634E+04 47 daphnite 29.09 24.59 -4.50 -0.141 0.76848E+04 51 chloritoid-Fe 9.24 7.63 -1.61 -0.107 0.27478E+04 54 coesite -2.37 -4.81 -2.44 -0.813 0.41632E+04 59 corundum 8.43 5.79 -2.64 -0.240 0.45099E+04 61 cristobalite -2.55 -4.81 -2.26 -0.753 0.38561E+04 83 gibbsite 4.10 2.90 -1.20 -0.172 0.20512E+04 92 hercynite 17.34 12.44 -4.91 -0.327 0.83794E+04 98 kaolinite -1.27 -3.82 -2.55 -0.232 0.43538E+04 99 kyanite 4.93 0.98 -3.95 -0.395 0.67395E+04 107 magnetite 20.13 19.24 -0.89 -0.073 0.15202E+04 128 periclase-Fe 11.64 6.64 -4.99 -1.249 0.85276E+04 142 pyrite -21.23 -23.61 -2.38 -0.561 0.40717E+04 143 pyrrhotite -4.24 -8.14 -3.89 -1.298 0.66471E+04 144 pyrrhotiteFe0.875 -6.00 -9.05 -3.05 -1.122 0.52111E+04 147 quartz -2.98 -4.81 -1.83 -0.609 0.31172E+04 156 siderite -2.59 -4.94 -2.35 -0.783 0.40103E+04 157 sillimanite 5.32 0.98 -4.34 -0.434 0.74049E+04 178 topaz-H 4.67 0.98 -3.68 -0.335 0.62886E+04 179 tridymite -2.61 -4.81 -2.19 -0.731 0.37445E+04 182 troilite-low -4.39 -8.14 -3.74 -1.248 0.63903E+04 193 akaganeite 7.77 6.30 -1.47 -0.318 0.25082E+04 200 chalcedony -2.79 -4.81 -2.01 -0.671 0.34375E+04 215 gypsum -4.92 -9.48 -4.55 -1.138 0.77734E+04 234 boehmite 4.43 2.90 -1.53 -0.256 0.26184E+04 236 ferrous-oxide 9.82 6.64 -3.18 -0.795 0.54287E+04 241 silica-amorphous -2.08 -4.81 -2.73 -0.909 0.46577E+04 Calculations done for 100.0000 Deg. C; 100.0000 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 = 100.00 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 = .2449337E-03 Osmotic coef. = 0.9906 True ionic strength = .2423537E-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+ 0.33442E-06 -6.4757 0.32174E-06 -6.4925 0.96208E+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 0.96198E+00 -0.0168 4 SO4-- 0.25372E-04 -4.5956 0.22929E-04 -4.6396 0.90372E+00 -0.0440 5 HCO3- 0.80438E-05 -5.0945 0.77382E-05 -5.1114 0.96201E+00 -0.0168 6 HS- 0.10605E-07 -7.9745 0.10202E-07 -7.9913 0.96198E+00 -0.0168 7 Al+++ 0.32207E-16 -16.4920 0.26219E-16 -16.5814 0.81407E+00 -0.0893 8 H4SiO4 0.16608E-04 -4.7797 0.16608E-04 -4.7797 0.10000E+01 0.0000 9 Ca++ 0.16197E-04 -4.7906 0.14635E-04 -4.8346 0.90360E+00 -0.0440 10 Mg++ 0.12679E-05 -5.8969 0.11456E-05 -5.9410 0.90353E+00 -0.0441 11 Fe++ 0.56295E-06 -6.2495 0.50865E-06 -6.2936 0.90354E+00 -0.0441 12 K+ 0.33958E-06 -6.4691 0.32668E-06 -6.4859 0.96201E+00 -0.0168 13 Na+ 0.16207E-03 -3.7903 0.15591E-03 -3.8071 0.96198E+00 -0.0168 14 Mn++ 0.27315E-07 -7.5636 0.24681E-07 -7.6076 0.90356E+00 -0.0440 15 HPO4-- 0.15029E-08 -8.8231 0.13582E-08 -8.8670 0.90372E+00 -0.0440 16 HSiO3- 0.52353E-07 -7.2811 0.50363E-07 -7.2979 0.96198E+00 -0.0168 17 Ca(HSiO3)+ 0.17167E-10 -10.7653 0.16514E-10 -10.7821 0.96201E+00 -0.0168 18 Mg(HSiO3)+ 0.16723E-11 -11.7767 0.16088E-11 -11.7935 0.96201E+00 -0.0168 19 NaHSiO3,aq 0.12471E-09 -9.9041 0.12471E-09 -9.9041 0.10000E+01 0.0000 20 AlO+ 0.33988E-10 -10.4687 0.32697E-10 -10.4855 0.96201E+00 -0.0168 21 AlOH+2 0.58323E-13 -13.2342 0.52699E-13 -13.2782 0.90357E+00 -0.0440 22 HAlO2,aq 0.20336E-07 -7.6917 0.20336E-07 -7.6917 0.10000E+01 0.0000 23 AlO2- 0.14671E-06 -6.8335 0.14113E-06 -6.8504 0.96195E+00 -0.0168 24 CH4,aq 0.33787E-14 -14.4712 0.33785E-14 -14.4713 0.99992E+00 0.0000 29 CO,aq 0.29690E-15 -15.5274 0.29690E-15 -15.5274 0.10000E+01 0.0000 30 CO2,aq 0.50201E-05 -5.2993 0.50198E-05 -5.2993 0.99992E+00 0.0000 31 CO3-2 0.24607E-08 -8.6089 0.22237E-08 -8.6529 0.90368E+00 -0.0440 32 CaCO3,aq 0.39860E-09 -9.3995 0.39860E-09 -9.3995 0.10000E+01 0.0000 33 Ca(HCO3)+ 0.29663E-08 -8.5278 0.28536E-08 -8.5446 0.96201E+00 -0.0168 34 CaCl+ 0.32174E-08 -8.4925 0.30952E-08 -8.5093 0.96201E+00 -0.0168 35 CaCl2,aq 0.95647E-13 -13.0193 0.95647E-13 -13.0193 0.10000E+01 0.0000 36 CaOH+ 0.33341E-08 -8.4770 0.32075E-08 -8.4938 0.96201E+00 -0.0168 37 CaSO4,aq 0.10456E-06 -6.9806 0.10456E-06 -6.9806 0.10000E+01 0.0000 38 HCl,aq 0.80320E-11 -11.0952 0.80320E-11 -11.0952 0.10000E+01 0.0000 43 FeCl+ 0.10930E-09 -9.9614 0.10514E-09 -9.9782 0.96201E+00 -0.0168 44 FeCl2,aq 0.43279E-18 -18.3637 0.43279E-18 -18.3637 0.10000E+01 0.0000 46 FeO,aq 0.19430E-09 -9.7115 0.19430E-09 -9.7115 0.10000E+01 0.0000 47 FeOH+ 0.54481E-07 -7.2638 0.52411E-07 -7.2806 0.96201E+00 -0.0168 48 HFeO2- 0.67524E-11 -11.1705 0.64957E-11 -11.1874 0.96198E+00 -0.0168 49 FeO+ 0.27666E-11 -11.5581 0.26615E-11 -11.5749 0.96201E+00 -0.0168 50 FeOH+2 0.17635E-15 -15.7536 0.15934E-15 -15.7977 0.90357E+00 -0.0440 51 FeO2- 0.52528E-11 -11.2796 0.50531E-11 -11.2964 0.96198E+00 -0.0168 52 HFeO2,aq 0.20347E-09 -9.6915 0.20347E-09 -9.6915 0.10000E+01 0.0000 53 H2,aq 0.22966E-08 -8.6389 0.22965E-08 -8.6389 0.99992E+00 0.0000 54 KCl,aq 0.76769E-12 -12.1148 0.76769E-12 -12.1148 0.10000E+01 0.0000 55 KHSO4,aq 0.64492E-17 -17.1905 0.64492E-17 -17.1905 0.10000E+01 0.0000 56 KOH,aq 0.44264E-12 -12.3540 0.44264E-12 -12.3540 0.10000E+01 0.0000 57 KSO4- 0.11996E-09 -9.9210 0.11540E-09 -9.9378 0.96198E+00 -0.0168 58 MgCO3,aq 0.77964E-11 -11.1081 0.77964E-11 -11.1081 0.10000E+01 0.0000 59 Mg(HCO3)+ 0.23677E-09 -9.6257 0.22778E-09 -9.6425 0.96201E+00 -0.0168 60 MgCl+ 0.22863E-09 -9.6409 0.21995E-09 -9.6577 0.96201E+00 -0.0168 61 MgOH+ 0.14459E-08 -8.8399 0.13909E-08 -8.8567 0.96201E+00 -0.0168 63 MnO,aq 0.25168E-12 -12.5991 0.25168E-12 -12.5991 0.10000E+01 0.0000 64 MnOH+ 0.24557E-09 -9.6098 0.23624E-09 -9.6266 0.96201E+00 -0.0168 66 HMnO2- 0.60929E-17 -17.2152 0.58613E-17 -17.2320 0.96198E+00 -0.0168 69 MnCl+ 0.20607E-10 -10.6860 0.19825E-10 -10.7028 0.96201E+00 -0.0168 70 MnSO4,aq 0.16038E-09 -9.7949 0.16038E-09 -9.7949 0.10000E+01 0.0000 71 NaCl,aq 0.67565E-08 -8.1703 0.67565E-08 -8.1703 0.10000E+01 0.0000 72 NaOH,aq 0.21293E-09 -9.6718 0.21293E-09 -9.6718 0.10000E+01 0.0000 74 OH- 0.19381E-05 -5.7126 0.18643E-05 -5.7295 0.96195E+00 -0.0168 79 HPO3-2 0.10902E-19 -19.9625 0.98520E-20 -20.0065 0.90368E+00 -0.0440 82 H3PO4,aq 0.90520E-12 -12.0433 0.90520E-12 -12.0433 0.10000E+01 0.0000 83 H2PO4- 0.79643E-08 -8.0989 0.76616E-08 -8.1157 0.96200E+00 -0.0168 84 PO4-3 0.45247E-14 -14.3444 0.36867E-14 -14.4334 0.81480E+00 -0.0890 87 H2P2O7-2 0.50838E-17 -17.2938 0.45942E-17 -17.3378 0.90368E+00 -0.0440 88 HP2O7-3 0.35966E-17 -17.4441 0.29279E-17 -17.5334 0.81408E+00 -0.0893 90 H2S,aq 0.98631E-08 -8.0060 0.98623E-08 -8.0060 0.99992E+00 0.0000 91 S2-2 0.11030E-17 -17.9574 0.99680E-18 -18.0014 0.90368E+00 -0.0440 96 SO2,aq 0.22838E-16 -16.6413 0.22838E-16 -16.6413 0.10000E+01 0.0000 97 SO3-2 0.79428E-14 -14.1000 0.71796E-14 -14.1439 0.90392E+00 -0.0439 98 HSO3- 0.14053E-12 -12.8522 0.13519E-12 -12.8691 0.96198E+00 -0.0168 99 HSO4- 0.71153E-08 -8.1478 0.68451E-08 -8.1646 0.96203E+00 -0.0168 101 S2O3-2 0.29492E-14 -14.5303 0.26651E-14 -14.5743 0.90368E+00 -0.0440 102 HS2O3- 0.15909E-18 -18.7984 0.15304E-18 -18.8152 0.96198E+00 -0.0168 Charge balance for all species = 0.7001E-15 Component Molality Aq.molality ppm log[A(N)/A(H+)**Z] (total) 1 H+ 0.3344238E-06 0.2677045E-05 0.2698268E-02 0.0000 2 H2O 0.1000000E+01 0.5550825E+02 0.9999858E+06 0.0000 3 Cl- 0.1379639E-03 0.1379742E-03 0.4891543E+01 2.6154 4 SO4-- 0.2537206E-04 0.2548347E-04 0.2447953E+01 8.3454 5 HCO3- 0.8043798E-05 0.1307001E-04 0.7974857E+00 1.3811 6 HS- 0.1060521E-07 0.2101603E-07 0.6950339E-03 -1.4988 7 Al+++ 0.3220731E-16 0.1670847E-06 0.4508143E-02 2.8961 8 H4SiO4 0.1660796E-04 0.1666046E-04 0.1601308E+01 -4.7797 9 Ca++ 0.1619680E-04 0.1631130E-04 0.6537163E+00 8.1504 10 Mg++ 0.1267921E-05 0.1269842E-05 0.3087203E-01 7.0440 11 Fe++ 0.5629514E-06 0.6179543E-06 0.3451048E-01 6.6914 12 K+ 0.3395818E-06 0.3397029E-06 0.1328291E-01 0.0066 13 Na+ 0.1620724E-03 0.1620795E-03 0.3726130E+01 2.6854 14 Mn++ 0.2731496E-07 0.2774177E-07 0.1524059E-02 5.3773 15 HPO4-- 0.1502944E-08 0.9468127E-08 0.9087306E-03 4.1180 Component Tot moles Aq. moles Solid moles Gas moles 1 H+ -.1345362E-04 0.2677043E-05 -.1613067E-04 0.0000000E+00 2 H2O 0.5550823E+02 0.5550822E+02 0.1062306E-04 0.0000000E+00 3 Cl- 0.1379742E-03 0.1379742E-03 0.0000000E+00 0.0000000E+00 4 SO4-- 0.2554881E-04 0.2548345E-04 0.6535748E-07 0.0000000E+00 5 HCO3- 0.1307000E-04 0.1307000E-04 0.0000000E+00 0.0000000E+00 6 HS- -.4434145E-07 0.2101602E-07 -.6535748E-07 0.0000000E+00 7 Al+++ 0.5217187E-05 0.1670847E-06 0.5050102E-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 0.6179539E-06 0.5228598E-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: -.2118E-21 Mass of aqueous solution: 0.100001E+04 g Temperature = 100.00 C Pressure = 100.00 bar Mixer frac. = 0.0016000 Log Log Vol Gas or mineral Moles Moles Grams Grams Wt.% (cm3) diaspore 0.5050E-05 -5.297 0.3030E-03 -3.519 87.89 0.9019E-04 hematite 0.2614E-06 -6.583 0.4175E-04 -4.379 12.11 0.7913E-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 = 0.000345 g Volume = 0.000098 cm3 Porosity: 99.9902% 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: 1.0525 bar Gas Mole fraction phi Fugacity Partial P(bar) H2O,gas 0.9995E+00 0.9855 0.1037E+01 0.1052E+01 CO2,gas 0.5420E-03 1.0073 0.5746E-03 0.5704E-03 CH4,gas 0.5011E-11 1.0129 0.5343E-11 0.5275E-11 H2,gas 0.2991E-05 1.0006 0.3150E-05 0.3148E-05 H2S,gas 0.2744E-06 0.9959 0.2876E-06 0.2888E-06 S2,gas 0.2968E-21 1.0000 0.3124E-21 0.3124E-21 CO,gas 0.4454E-12 1.0000 0.4688E-12 0.4688E-12 SO3,gas 0.8431E-33 1.0000 0.8874E-33 0.8874E-33 SO2,gas 0.1005E-15 1.0000 0.1057E-15 0.1057E-15 HCl,gas 0.1347E-13 1.0000 0.1418E-13 0.1418E-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 2.90 2.90 0.00 0.000 -0.22748E-11 90 hematite 12.60 12.60 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 1.98 0.00 -1.98 -1.984 0.33882E+04 0.016 2 CO2,gas -6.36 -11.60 -5.24 -1.747 0.89482E+04 -3.241 3 CH4,gas 4.81 -8.46 -13.27 -3.318 0.22662E+05 -11.272 4 H2,gas 8.29 0.79 -7.50 -4.287 0.12809E+05 -5.502 5 H2S,gas -5.94 -14.48 -8.54 -4.271 0.14584E+05 -6.541 6 S2,gas -7.03 -30.54 -23.51 -3.616 0.40135E+05 -21.505 7 CO,gas 3.51 -10.82 -14.33 -4.409 0.24466E+05 -12.329 8 SO3,gas 17.43 -17.62 -35.05 -8.763 0.59850E+05 -33.052 9 SO2,gas 1.14 -16.84 -17.98 -4.794 0.30693E+05 -15.976 10 HCl,gas 5.48 -10.37 -15.85 -7.924 0.27060E+05 -13.848 21 andalusite 5.06 1.01 -4.05 -0.405 0.69151E+04 24 anhydrite -5.28 -9.47 -4.19 -2.097 0.71619E+04 35 aragonite 0.99 -3.45 -4.44 -1.480 0.75806E+04 37 calcite 0.83 -3.45 -4.29 -1.429 0.73193E+04 41 carpholite-Fe 6.78 2.92 -3.86 -0.257 0.65886E+04 47 daphnite 29.09 24.91 -4.18 -0.131 0.71442E+04 51 chloritoid-Fe 9.24 7.70 -1.53 -0.102 0.26206E+04 54 coesite -2.37 -4.78 -2.41 -0.803 0.41156E+04 59 corundum 8.43 5.79 -2.64 -0.240 0.45099E+04 61 cristobalite -2.55 -4.78 -2.23 -0.743 0.38085E+04 83 gibbsite 4.10 2.90 -1.20 -0.172 0.20512E+04 92 hercynite 17.34 12.48 -4.86 -0.324 0.82999E+04 98 kaolinite -1.27 -3.77 -2.49 -0.227 0.42585E+04 99 kyanite 4.93 1.01 -3.92 -0.392 0.66918E+04 107 magnetite 20.13 19.29 -0.84 -0.069 0.14407E+04 128 periclase-Fe 11.64 6.69 -4.95 -1.237 0.84481E+04 142 pyrite -21.23 -23.06 -1.84 -0.432 0.31350E+04 143 pyrrhotite -4.24 -7.79 -3.55 -1.183 0.60595E+04 144 pyrrhotiteFe0.875 -6.00 -8.73 -2.73 -1.002 0.46532E+04 147 quartz -2.98 -4.78 -1.80 -0.599 0.30695E+04 156 siderite -2.59 -4.91 -2.32 -0.775 0.39695E+04 157 sillimanite 5.32 1.01 -4.31 -0.431 0.73572E+04 178 topaz-H 4.67 1.01 -3.66 -0.332 0.62409E+04 179 tridymite -2.61 -4.78 -2.17 -0.722 0.36968E+04 182 troilite-low -4.39 -7.79 -3.40 -1.133 0.58027E+04 193 akaganeite 7.77 6.30 -1.47 -0.318 0.25082E+04 200 chalcedony -2.79 -4.78 -1.99 -0.662 0.33898E+04 215 gypsum -4.92 -9.47 -4.55 -1.137 0.77687E+04 234 boehmite 4.43 2.90 -1.53 -0.256 0.26184E+04 236 ferrous-oxide 9.82 6.69 -3.13 -0.783 0.53492E+04 241 silica-amorphous -2.08 -4.78 -2.70 -0.900 0.46100E+04 Calculations done for 100.0000 Deg. C; 100.0000 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 = 100.00 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 = .2453413E-03 Osmotic coef. = 0.9906 True ionic strength = .2429034E-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+ 0.30843E-06 -6.5108 0.29673E-06 -6.5276 0.96206E+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 0.96196E+00 -0.0168 4 SO4-- 0.25360E-04 -4.5959 0.22916E-04 -4.6399 0.90363E+00 -0.0440 5 HCO3- 0.82913E-05 -5.0814 0.79761E-05 -5.0982 0.96198E+00 -0.0168 6 HS- 0.17524E-07 -7.7564 0.16857E-07 -7.7732 0.96196E+00 -0.0168 7 Al+++ 0.25268E-16 -16.5974 0.20566E-16 -16.6868 0.81390E+00 -0.0894 8 H4SiO4 0.17641E-04 -4.7535 0.17641E-04 -4.7535 0.10000E+01 0.0000 9 Ca++ 0.16311E-04 -4.7875 0.14737E-04 -4.8316 0.90352E+00 -0.0441 10 Mg++ 0.13470E-05 -5.8706 0.12170E-05 -5.9147 0.90344E+00 -0.0441 11 Fe++ 0.51510E-06 -6.2881 0.46537E-06 -6.3322 0.90346E+00 -0.0441 12 K+ 0.36081E-06 -6.4427 0.34709E-06 -6.4596 0.96199E+00 -0.0168 13 Na+ 0.16220E-03 -3.7900 0.15603E-03 -3.8068 0.96196E+00 -0.0168 14 Mn++ 0.29001E-07 -7.5376 0.26201E-07 -7.5817 0.90347E+00 -0.0441 15 HPO4-- 0.17088E-08 -8.7673 0.15441E-08 -8.8113 0.90364E+00 -0.0440 16 HSiO3- 0.60300E-07 -7.2197 0.58006E-07 -7.2365 0.96196E+00 -0.0168 17 Ca(HSiO3)+ 0.19910E-10 -10.7009 0.19153E-10 -10.7178 0.96199E+00 -0.0168 18 Mg(HSiO3)+ 0.20461E-11 -11.6891 0.19684E-11 -11.7059 0.96199E+00 -0.0168 19 NaHSiO3,aq 0.14375E-09 -9.8424 0.14375E-09 -9.8424 0.10000E+01 0.0000 20 AlO+ 0.31346E-10 -10.5038 0.30155E-10 -10.5206 0.96199E+00 -0.0168 21 AlOH+2 0.49610E-13 -13.3044 0.44822E-13 -13.3485 0.90349E+00 -0.0441 22 HAlO2,aq 0.20336E-07 -7.6917 0.20336E-07 -7.6917 0.10000E+01 0.0000 23 AlO2- 0.15909E-06 -6.7984 0.15303E-06 -6.8152 0.96193E+00 -0.0169 24 CH4,aq 0.57579E-14 -14.2397 0.57574E-14 -14.2398 0.99992E+00 0.0000 29 CO,aq 0.32658E-15 -15.4860 0.32658E-15 -15.4860 0.10000E+01 0.0000 30 CO2,aq 0.47721E-05 -5.3213 0.47718E-05 -5.3213 0.99992E+00 0.0000 31 CO3-2 0.27505E-08 -8.5606 0.24854E-08 -8.6046 0.90360E+00 -0.0440 32 CaCO3,aq 0.44859E-09 -9.3482 0.44859E-09 -9.3482 0.10000E+01 0.0000 33 Ca(HCO3)+ 0.30788E-08 -8.5116 0.29618E-08 -8.5285 0.96199E+00 -0.0168 34 CaCl+ 0.32397E-08 -8.4895 0.31166E-08 -8.5063 0.96199E+00 -0.0168 35 CaCl2,aq 0.96306E-13 -13.0163 0.96306E-13 -13.0163 0.10000E+01 0.0000 36 CaOH+ 0.36404E-08 -8.4389 0.35020E-08 -8.4557 0.96199E+00 -0.0168 37 CaSO4,aq 0.10522E-06 -6.9779 0.10522E-06 -6.9779 0.10000E+01 0.0000 38 HCl,aq 0.74073E-11 -11.1303 0.74073E-11 -11.1303 0.10000E+01 0.0000 43 FeCl+ 0.99996E-10 -10.0000 0.96195E-10 -10.0168 0.96199E+00 -0.0168 44 FeCl2,aq 0.39595E-18 -18.4024 0.39595E-18 -18.4024 0.10000E+01 0.0000 46 FeO,aq 0.20901E-09 -9.6798 0.20901E-09 -9.6798 0.10000E+01 0.0000 47 FeOH+ 0.54049E-07 -7.2672 0.51995E-07 -7.2840 0.96199E+00 -0.0168 48 HFeO2- 0.78761E-11 -11.1037 0.75765E-11 -11.1205 0.96196E+00 -0.0168 49 FeO+ 0.25515E-11 -11.5932 0.24546E-11 -11.6100 0.96199E+00 -0.0168 50 FeOH+2 0.15000E-15 -15.8239 0.13553E-15 -15.8680 0.90349E+00 -0.0441 51 FeO2- 0.56959E-11 -11.2444 0.54792E-11 -11.2613 0.96196E+00 -0.0168 52 HFeO2,aq 0.20347E-09 -9.6915 0.20347E-09 -9.6915 0.10000E+01 0.0000 53 H2,aq 0.26575E-08 -8.5755 0.26573E-08 -8.5756 0.99992E+00 0.0000 54 KCl,aq 0.81564E-12 -12.0885 0.81564E-12 -12.0885 0.10000E+01 0.0000 55 KHSO4,aq 0.63157E-17 -17.1996 0.63157E-17 -17.1996 0.10000E+01 0.0000 56 KOH,aq 0.50994E-12 -12.2925 0.50994E-12 -12.2925 0.10000E+01 0.0000 57 KSO4- 0.12739E-09 -9.8949 0.12254E-09 -9.9117 0.96196E+00 -0.0168 58 MgCO3,aq 0.92565E-11 -11.0336 0.92565E-11 -11.0336 0.10000E+01 0.0000 59 Mg(HCO3)+ 0.25926E-09 -9.5863 0.24940E-09 -9.6031 0.96199E+00 -0.0168 60 MgCl+ 0.24287E-09 -9.6146 0.23364E-09 -9.6315 0.96199E+00 -0.0168 61 MgOH+ 0.16655E-08 -8.7785 0.16022E-08 -8.7953 0.96199E+00 -0.0168 63 MnO,aq 0.31414E-12 -12.5029 0.31414E-12 -12.5029 0.10000E+01 0.0000 64 MnOH+ 0.28269E-09 -9.5487 0.27195E-09 -9.5655 0.96199E+00 -0.0168 66 HMnO2- 0.82465E-17 -17.0837 0.79328E-17 -17.1006 0.96196E+00 -0.0168 69 MnCl+ 0.21877E-10 -10.6600 0.21046E-10 -10.6768 0.96199E+00 -0.0168 70 MnSO4,aq 0.17016E-09 -9.7691 0.17016E-09 -9.7691 0.10000E+01 0.0000 71 NaCl,aq 0.67614E-08 -8.1700 0.67614E-08 -8.1700 0.10000E+01 0.0000 72 NaOH,aq 0.23105E-09 -9.6363 0.23105E-09 -9.6363 0.10000E+01 0.0000 74 OH- 0.21015E-05 -5.6775 0.20215E-05 -5.6943 0.96193E+00 -0.0169 79 HPO3-2 0.14342E-19 -19.8434 0.12960E-19 -19.8874 0.90360E+00 -0.0440 82 H3PO4,aq 0.87525E-12 -12.0579 0.87525E-12 -12.0579 0.10000E+01 0.0000 83 H2PO4- 0.83502E-08 -8.0783 0.80327E-08 -8.0951 0.96197E+00 -0.0168 84 PO4-3 0.55786E-14 -14.2535 0.45445E-14 -14.3425 0.81463E+00 -0.0890 87 H2P2O7-2 0.55888E-17 -17.2527 0.50500E-17 -17.2967 0.90360E+00 -0.0440 88 HP2O7-3 0.42877E-17 -17.3678 0.34898E-17 -17.4572 0.81391E+00 -0.0894 90 H2S,aq 0.15030E-07 -7.8230 0.15029E-07 -7.8231 0.99992E+00 0.0000 91 S2-2 0.26030E-17 -17.5845 0.23520E-17 -17.6286 0.90360E+00 -0.0440 96 SO2,aq 0.22463E-16 -16.6485 0.22463E-16 -16.6485 0.10000E+01 0.0000 97 SO3-2 0.91863E-14 -14.0369 0.83029E-14 -14.0808 0.90384E+00 -0.0439 98 HSO3- 0.14988E-12 -12.8243 0.14418E-12 -12.8411 0.96196E+00 -0.0168 99 HSO4- 0.65584E-08 -8.1832 0.63092E-08 -8.2000 0.96201E+00 -0.0168 101 S2O3-2 0.44920E-14 -14.3476 0.40590E-14 -14.3916 0.90360E+00 -0.0440 102 HS2O3- 0.22345E-18 -18.6508 0.21495E-18 -18.6677 0.96196E+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+ 0.3084267E-06 0.2186514E-05 0.2203848E-02 0.0000 2 H2O 0.1000000E+01 0.5550825E+02 0.9999857E+06 0.0000 3 Cl- 0.1379639E-03 0.1379743E-03 0.4891542E+01 2.6506 4 SO4-- 0.2535985E-04 0.2547129E-04 0.2446784E+01 8.4154 5 HCO3- 0.8291321E-05 0.1307001E-04 0.7974856E+00 1.4294 6 HS- 0.1752409E-07 0.3319216E-07 0.1097718E-02 -1.2456 7 Al+++ 0.2526849E-16 0.1794559E-06 0.4841931E-02 2.8961 8 H4SiO4 0.1764127E-04 0.1770174E-04 0.1701389E+01 -4.7535 9 Ca++ 0.1631066E-04 0.1642631E-04 0.6583258E+00 8.2237 10 Mg++ 0.1347028E-05 0.1349207E-05 0.3280153E-01 7.1406 11 Fe++ 0.5150977E-06 0.5696754E-06 0.3181428E-01 6.7231 12 K+ 0.3608057E-06 0.3609344E-06 0.1411309E-01 0.0681 13 Na+ 0.1621979E-03 0.1622050E-03 0.3729016E+01 2.7208 14 Mn++ 0.2900058E-07 0.2947563E-07 0.1619313E-02 5.4736 15 HPO4-- 0.1708760E-08 0.1005989E-07 0.9655261E-03 4.2440 Component Tot moles Aq. moles Solid moles Gas moles 1 H+ -.1510948E-04 0.2186513E-05 -.1729599E-04 0.0000000E+00 2 H2O 0.5550823E+02 0.5550822E+02 0.1137005E-04 0.0000000E+00 3 Cl- 0.1379742E-03 0.1379742E-03 0.0000000E+00 0.0000000E+00 4 SO4-- 0.2555158E-04 0.2547128E-04 0.8030494E-07 0.0000000E+00 5 HCO3- 0.1307000E-04 0.1307000E-04 0.0000000E+00 0.0000000E+00 6 HS- -.4711280E-07 0.3319214E-07 -.8030494E-07 0.0000000E+00 7 Al+++ 0.5543261E-05 0.1794558E-06 0.5363805E-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 0.5696751E-06 0.6424395E-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: 0.1271E-20 Mass of aqueous solution: 0.100001E+04 g Temperature = 100.00 C Pressure = 100.00 bar Mixer frac. = 0.0017000 Log Log Vol Gas or mineral Moles Moles Grams Grams Wt.% (cm3) diaspore 0.5364E-05 -5.271 0.3218E-03 -3.492 86.25 0.9579E-04 hematite 0.3212E-06 -6.493 0.5130E-04 -4.290 13.75 0.9723E-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 = 0.000373 g Volume = 0.000106 cm3 Porosity: 99.9895% 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: 1.0525 bar Gas Mole fraction phi Fugacity Partial P(bar) H2O,gas 0.9995E+00 0.9855 0.1037E+01 0.1052E+01 CO2,gas 0.5152E-03 1.0073 0.5462E-03 0.5422E-03 CH4,gas 0.8540E-11 1.0129 0.9105E-11 0.8989E-11 H2,gas 0.3461E-05 1.0006 0.3645E-05 0.3643E-05 H2S,gas 0.4182E-06 0.9959 0.4383E-06 0.4401E-06 S2,gas 0.5147E-21 1.0000 0.5417E-21 0.5417E-21 CO,gas 0.4900E-12 1.0000 0.5157E-12 0.5157E-12 SO3,gas 0.7167E-33 1.0000 0.7543E-33 0.7543E-33 SO2,gas 0.9882E-16 1.0000 0.1040E-15 0.1040E-15 HCl,gas 0.1243E-13 1.0000 0.1308E-13 0.1308E-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 2.90 2.90 0.00 0.000 -0.22748E-11 90 hematite 12.60 12.60 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 1.98 0.00 -1.98 -1.984 0.33882E+04 0.016 2 CO2,gas -6.36 -11.63 -5.26 -1.754 0.89858E+04 -3.263 3 CH4,gas 4.81 -8.23 -13.04 -3.260 0.22267E+05 -11.041 4 H2,gas 8.29 0.85 -7.44 -4.250 0.12701E+05 -5.438 5 H2S,gas -5.94 -14.30 -8.36 -4.179 0.14271E+05 -6.358 6 S2,gas -7.03 -30.30 -23.27 -3.579 0.39726E+05 -21.266 7 CO,gas 3.51 -10.78 -14.29 -4.396 0.24396E+05 -12.288 8 SO3,gas 17.43 -17.70 -35.12 -8.781 0.59971E+05 -33.122 9 SO2,gas 1.14 -16.85 -17.98 -4.795 0.30705E+05 -15.983 10 HCl,gas 5.48 -10.40 -15.88 -7.942 0.27121E+05 -13.883 21 andalusite 5.06 1.04 -4.02 -0.402 0.68703E+04 24 anhydrite -5.28 -9.47 -4.19 -2.096 0.71572E+04 35 aragonite 0.99 -3.40 -4.39 -1.463 0.74930E+04 37 calcite 0.83 -3.40 -4.24 -1.412 0.72317E+04 41 carpholite-Fe 6.78 3.01 -3.77 -0.252 0.64450E+04 47 daphnite 29.09 25.15 -3.95 -0.123 0.67394E+04 51 chloritoid-Fe 9.24 7.76 -1.48 -0.098 0.25217E+04 52 chloritoid-Mn 11.46 6.51 -4.95 -0.330 0.84535E+04 54 coesite -2.37 -4.75 -2.38 -0.795 0.40708E+04 59 corundum 8.43 5.79 -2.64 -0.240 0.45099E+04 61 cristobalite -2.55 -4.75 -2.20 -0.735 0.37637E+04 83 gibbsite 4.10 2.90 -1.20 -0.172 0.20512E+04 92 hercynite 17.34 12.52 -4.83 -0.322 0.82458E+04 98 kaolinite -1.27 -3.71 -2.44 -0.222 0.41690E+04 99 kyanite 4.93 1.04 -3.89 -0.389 0.66471E+04 107 magnetite 20.13 19.32 -0.81 -0.066 0.13866E+04 128 periclase-Fe 11.64 6.72 -4.92 -1.229 0.83940E+04 142 pyrite -21.23 -22.73 -1.50 -0.353 0.25644E+04 143 pyrrhotite -4.24 -7.58 -3.33 -1.111 0.56931E+04 144 pyrrhotiteFe0.875 -6.00 -8.52 -2.52 -0.928 0.43069E+04 147 quartz -2.98 -4.75 -1.77 -0.590 0.30247E+04 156 siderite -2.59 -4.90 -2.32 -0.772 0.39530E+04 157 sillimanite 5.32 1.04 -4.28 -0.428 0.73125E+04 178 topaz-H 4.67 1.04 -3.63 -0.330 0.61962E+04 179 tridymite -2.61 -4.75 -2.14 -0.713 0.36520E+04 182 troilite-low -4.39 -7.58 -3.18 -1.061 0.54362E+04 193 akaganeite 7.77 6.30 -1.47 -0.318 0.25082E+04 200 chalcedony -2.79 -4.75 -1.96 -0.653 0.33451E+04 215 gypsum -4.92 -9.47 -4.55 -1.137 0.77640E+04 234 boehmite 4.43 2.90 -1.53 -0.256 0.26184E+04 236 ferrous-oxide 9.82 6.72 -3.10 -0.775 0.52951E+04 241 silica-amorphous -2.08 -4.75 -2.67 -0.891 0.45653E+04 Calculations done for 100.0000 Deg. C; 100.0000 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 = 100.00 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 = .2457452E-03 Osmotic coef. = 0.9906 True ionic strength = .2434479E-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+ 0.28512E-06 -6.5450 0.27430E-06 -6.5618 0.96204E+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-- 0.25347E-04 -4.5961 0.22903E-04 -4.6401 0.90355E+00 -0.0440 5 HCO3- 0.85265E-05 -5.0692 0.82022E-05 -5.0861 0.96196E+00 -0.0168 6 HS- 0.25118E-07 -7.6000 0.24162E-07 -7.6169 0.96194E+00 -0.0169 7 Al+++ 0.19965E-16 -16.6997 0.16246E-16 -16.7892 0.81374E+00 -0.0895 8 H4SiO4 0.18674E-04 -4.7288 0.18674E-04 -4.7288 0.10000E+01 0.0000 9 Ca++ 0.16425E-04 -4.7845 0.14838E-04 -4.8286 0.90343E+00 -0.0441 10 Mg++ 0.14261E-05 -5.8458 0.12883E-05 -5.8900 0.90336E+00 -0.0441 11 Fe++ 0.46505E-06 -6.3325 0.42012E-06 -6.3766 0.90338E+00 -0.0441 12 K+ 0.38203E-06 -6.4179 0.36750E-06 -6.4347 0.96197E+00 -0.0168 13 Na+ 0.16232E-03 -3.7896 0.15614E-03 -3.8065 0.96193E+00 -0.0169 14 Mn++ 0.30683E-07 -7.5131 0.27718E-07 -7.5572 0.90339E+00 -0.0441 15 HPO4-- 0.19305E-08 -8.7143 0.17443E-08 -8.7584 0.90355E+00 -0.0440 16 HSiO3- 0.69050E-07 -7.1608 0.66422E-07 -7.1777 0.96194E+00 -0.0169 17 Ca(HSiO3)+ 0.22956E-10 -10.6391 0.22083E-10 -10.6559 0.96197E+00 -0.0168 18 Mg(HSiO3)+ 0.24804E-11 -11.6055 0.23860E-11 -11.6223 0.96197E+00 -0.0168 19 NaHSiO3,aq 0.16472E-09 -9.7832 0.16472E-09 -9.7832 0.10000E+01 0.0000 20 AlO+ 0.28977E-10 -10.5379 0.27875E-10 -10.5548 0.96197E+00 -0.0168 21 AlOH+2 0.42398E-13 -13.3727 0.38303E-13 -13.4168 0.90341E+00 -0.0441 22 HAlO2,aq 0.20336E-07 -7.6917 0.20336E-07 -7.6917 0.10000E+01 0.0000 23 AlO2- 0.17210E-06 -6.7642 0.16554E-06 -6.7811 0.96190E+00 -0.0169 24 CH4,aq 0.84916E-14 -14.0710 0.84909E-14 -14.0710 0.99992E+00 0.0000 29 CO,aq 0.34647E-15 -15.4603 0.34647E-15 -15.4603 0.10000E+01 0.0000 30 CO2,aq 0.45365E-05 -5.3433 0.45361E-05 -5.3433 0.99992E+00 0.0000 31 CO3-2 0.30600E-08 -8.5143 0.27648E-08 -8.5583 0.90352E+00 -0.0441 32 CaCO3,aq 0.50246E-09 -9.2989 0.50246E-09 -9.2989 0.10000E+01 0.0000 33 Ca(HCO3)+ 0.31879E-08 -8.4965 0.30667E-08 -8.5133 0.96197E+00 -0.0168 34 CaCl+ 0.32620E-08 -8.4865 0.31380E-08 -8.5033 0.96197E+00 -0.0168 35 CaCl2,aq 0.96965E-13 -13.0134 0.96965E-13 -13.0134 0.10000E+01 0.0000 36 CaOH+ 0.39653E-08 -8.4017 0.38145E-08 -8.4186 0.96197E+00 -0.0168 37 CaSO4,aq 0.10589E-06 -6.9752 0.10589E-06 -6.9752 0.10000E+01 0.0000 38 HCl,aq 0.68472E-11 -11.1645 0.68472E-11 -11.1645 0.10000E+01 0.0000 43 FeCl+ 0.90272E-10 -10.0444 0.86839E-10 -10.0613 0.96197E+00 -0.0168 44 FeCl2,aq 0.35743E-18 -18.4468 0.35743E-18 -18.4468 0.10000E+01 0.0000 46 FeO,aq 0.22081E-09 -9.6560 0.22081E-09 -9.6560 0.10000E+01 0.0000 47 FeOH+ 0.52784E-07 -7.2775 0.50777E-07 -7.2943 0.96197E+00 -0.0168 48 HFeO2- 0.90011E-11 -11.0457 0.86585E-11 -11.0626 0.96194E+00 -0.0169 49 FeO+ 0.23587E-11 -11.6273 0.22690E-11 -11.6442 0.96197E+00 -0.0168 50 FeOH+2 0.12820E-15 -15.8921 0.11581E-15 -15.9362 0.90341E+00 -0.0441 51 FeO2- 0.61617E-11 -11.2103 0.59272E-11 -11.2272 0.96194E+00 -0.0169 52 HFeO2,aq 0.20347E-09 -9.6915 0.20347E-09 -9.6915 0.10000E+01 0.0000 53 H2,aq 0.29659E-08 -8.5278 0.29656E-08 -8.5279 0.99992E+00 0.0000 54 KCl,aq 0.86358E-12 -12.0637 0.86358E-12 -12.0637 0.10000E+01 0.0000 55 KHSO4,aq 0.61779E-17 -17.2092 0.61779E-17 -17.2092 0.10000E+01 0.0000 56 KOH,aq 0.58408E-12 -12.2335 0.58408E-12 -12.2335 0.10000E+01 0.0000 57 KSO4- 0.13480E-09 -9.8703 0.12967E-09 -9.8872 0.96194E+00 -0.0169 58 MgCO3,aq 0.10901E-10 -10.9625 0.10901E-10 -10.9625 0.10000E+01 0.0000 59 Mg(HCO3)+ 0.28224E-09 -9.5494 0.27151E-09 -9.5662 0.96197E+00 -0.0168 60 MgCl+ 0.25711E-09 -9.5899 0.24733E-09 -9.6067 0.96197E+00 -0.0168 61 MgOH+ 0.19073E-08 -8.7196 0.18347E-08 -8.7364 0.96197E+00 -0.0168 63 MnO,aq 0.38890E-12 -12.4102 0.38890E-12 -12.4102 0.10000E+01 0.0000 64 MnOH+ 0.32352E-09 -9.4901 0.31122E-09 -9.5069 0.96197E+00 -0.0168 66 HMnO2- 0.11044E-16 -16.9569 0.10624E-16 -16.9737 0.96194E+00 -0.0169 69 MnCl+ 0.23144E-10 -10.6356 0.22264E-10 -10.6524 0.96197E+00 -0.0168 70 MnSO4,aq 0.17991E-09 -9.7449 0.17991E-09 -9.7449 0.10000E+01 0.0000 71 NaCl,aq 0.67664E-08 -8.1696 0.67664E-08 -8.1696 0.10000E+01 0.0000 72 NaOH,aq 0.25013E-09 -9.6018 0.25013E-09 -9.6018 0.10000E+01 0.0000 74 OH- 0.22734E-05 -5.6433 0.21868E-05 -5.6602 0.96190E+00 -0.0169 79 HPO3-2 0.18084E-19 -19.7427 0.16339E-19 -19.7868 0.90352E+00 -0.0441 82 H3PO4,aq 0.84493E-12 -12.0732 0.84493E-12 -12.0732 0.10000E+01 0.0000 83 H2PO4- 0.87203E-08 -8.0595 0.83885E-08 -8.0763 0.96195E+00 -0.0168 84 PO4-3 0.68188E-14 -14.1663 0.55536E-14 -14.2554 0.81446E+00 -0.0891 87 H2P2O7-2 0.60953E-17 -17.2150 0.55072E-17 -17.2591 0.90352E+00 -0.0441 88 HP2O7-3 0.50593E-17 -17.2959 0.41170E-17 -17.3854 0.81374E+00 -0.0895 90 H2S,aq 0.19914E-07 -7.7008 0.19913E-07 -7.7009 0.99992E+00 0.0000 91 S2-2 0.47917E-17 -17.3195 0.43294E-17 -17.3636 0.90352E+00 -0.0441 96 SO2,aq 0.21411E-16 -16.6694 0.21411E-16 -16.6694 0.10000E+01 0.0000 97 SO3-2 0.10247E-13 -13.9894 0.92610E-14 -14.0333 0.90376E+00 -0.0439 98 HSO3- 0.15454E-12 -12.8110 0.14866E-12 -12.8278 0.96194E+00 -0.0169 99 HSO4- 0.60593E-08 -8.2176 0.58289E-08 -8.2344 0.96199E+00 -0.0168 101 S2O3-2 0.59488E-14 -14.2256 0.53748E-14 -14.2696 0.90352E+00 -0.0441 102 HS2O3- 0.27353E-18 -18.5630 0.26312E-18 -18.5798 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+ 0.2851203E-06 0.1699743E-05 0.1713218E-02 0.0000 2 H2O 0.1000000E+01 0.5550825E+02 0.9999856E+06 0.0000 3 Cl- 0.1379639E-03 0.1379743E-03 0.4891542E+01 2.6847 4 SO4-- 0.2534719E-04 0.2545874E-04 0.2445577E+01 8.4834 5 HCO3- 0.8526506E-05 0.1307001E-04 0.7974856E+00 1.4757 6 HS- 0.2511755E-07 0.4574668E-07 0.1512916E-02 -1.0551 7 Al+++ 0.1996493E-16 0.1924656E-06 0.5192948E-02 2.8961 8 H4SiO4 0.1867378E-04 0.1874302E-04 0.1801471E+01 -4.7288 9 Ca++ 0.1642450E-04 0.1654133E-04 0.6629352E+00 8.2949 10 Mg++ 0.1426112E-05 0.1428572E-05 0.3473103E-01 7.2336 11 Fe++ 0.4650530E-06 0.5183694E-06 0.2894903E-01 6.7469 12 K+ 0.3820296E-06 0.3821658E-06 0.1494327E-01 0.1270 13 Na+ 0.1623234E-03 0.1623305E-03 0.3731901E+01 2.7553 14 Mn++ 0.3068253E-07 0.3120949E-07 0.1714566E-02 5.5663 15 HPO4-- 0.1930523E-08 0.1065164E-07 0.1022322E-02 4.3652 Component Tot moles Aq. moles Solid moles Gas moles 1 H+ -.1676533E-04 0.1699742E-05 -.1846507E-04 0.0000000E+00 2 H2O 0.5550823E+02 0.5550822E+02 0.1211879E-04 0.0000000E+00 3 Cl- 0.1379742E-03 0.1379742E-03 0.0000000E+00 0.0000000E+00 4 SO4-- 0.2555435E-04 0.2545872E-04 0.9563079E-07 0.0000000E+00 5 HCO3- 0.1307000E-04 0.1307000E-04 0.0000000E+00 0.0000000E+00 6 HS- -.4988414E-07 0.4574666E-07 -.9563079E-07 0.0000000E+00 7 Al+++ 0.5869335E-05 0.1924655E-06 0.5676869E-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 0.5183691E-06 0.7650463E-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: -.1906E-20 Mass of aqueous solution: 0.100001E+04 g Temperature = 100.00 C Pressure = 100.00 bar Mixer frac. = 0.0018000 Log Log Vol Gas or mineral Moles Moles Grams Grams Wt.% (cm3) diaspore 0.5677E-05 -5.246 0.3406E-03 -3.468 84.79 0.1014E-03 hematite 0.3825E-06 -6.417 0.6109E-04 -4.214 15.21 0.1158E-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 = 0.000402 g Volume = 0.000113 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: 1.0525 bar Gas Mole fraction phi Fugacity Partial P(bar) H2O,gas 0.9995E+00 0.9855 0.1037E+01 0.1052E+01 CO2,gas 0.4898E-03 1.0073 0.5192E-03 0.5155E-03 CH4,gas 0.1260E-10 1.0129 0.1343E-10 0.1326E-10 H2,gas 0.3863E-05 1.0006 0.4068E-05 0.4065E-05 H2S,gas 0.5541E-06 0.9959 0.5808E-06 0.5831E-06 S2,gas 0.7255E-21 1.0000 0.7635E-21 0.7635E-21 CO,gas 0.5198E-12 1.0000 0.5471E-12 0.5471E-12 SO3,gas 0.6121E-33 1.0000 0.6442E-33 0.6442E-33 SO2,gas 0.9419E-16 1.0000 0.9913E-16 0.9913E-16 HCl,gas 0.1149E-13 1.0000 0.1209E-13 0.1209E-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 2.90 2.90 0.00 0.000 -0.22748E-11 90 hematite 12.60 12.60 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 1.98 0.00 -1.98 -1.984 0.33882E+04 0.016 2 CO2,gas -6.36 -11.65 -5.28 -1.762 0.90234E+04 -3.285 3 CH4,gas 4.81 -8.06 -12.87 -3.218 0.21979E+05 -10.872 4 H2,gas 8.29 0.90 -7.39 -4.223 0.12619E+05 -5.391 5 H2S,gas -5.94 -14.18 -8.24 -4.118 0.14063E+05 -6.236 6 S2,gas -7.03 -30.15 -23.12 -3.556 0.39472E+05 -21.117 7 CO,gas 3.51 -10.75 -14.26 -4.388 0.24352E+05 -12.262 8 SO3,gas 17.43 -17.76 -35.19 -8.798 0.60088E+05 -33.191 9 SO2,gas 1.14 -16.87 -18.00 -4.801 0.30741E+05 -16.004 10 HCl,gas 5.48 -10.44 -15.92 -7.959 0.27179E+05 -13.918 21 andalusite 5.06 1.06 -4.00 -0.400 0.68281E+04 24 anhydrite -5.28 -9.47 -4.19 -2.094 0.71526E+04 35 aragonite 0.99 -3.35 -4.34 -1.446 0.74089E+04 37 calcite 0.83 -3.35 -4.19 -1.395 0.71476E+04 41 carpholite-Fe 6.78 3.08 -3.70 -0.247 0.63199E+04 47 daphnite 29.09 25.34 -3.75 -0.117 0.64094E+04 50 chloritoid-Mg 13.26 8.30 -4.96 -0.331 0.84763E+04 51 chloritoid-Fe 9.24 7.81 -1.43 -0.095 0.24388E+04 52 chloritoid-Mn 11.46 6.63 -4.83 -0.322 0.82530E+04 54 coesite -2.37 -4.73 -2.36 -0.786 0.40286E+04 59 corundum 8.43 5.79 -2.64 -0.240 0.45099E+04 61 cristobalite -2.55 -4.73 -2.18 -0.727 0.37215E+04 83 gibbsite 4.10 2.90 -1.20 -0.172 0.20512E+04 92 hercynite 17.34 12.54 -4.81 -0.320 0.82051E+04 98 kaolinite -1.27 -3.67 -2.39 -0.217 0.40846E+04 99 kyanite 4.93 1.06 -3.87 -0.387 0.66049E+04 107 magnetite 20.13 19.34 -0.79 -0.064 0.13459E+04 128 periclase-Fe 11.64 6.75 -4.89 -1.223 0.83533E+04 142 pyrite -21.23 -22.51 -1.28 -0.301 0.21878E+04 143 pyrrhotite -4.24 -7.43 -3.19 -1.063 0.54437E+04 144 pyrrhotiteFe0.875 -6.00 -8.39 -2.39 -0.877 0.40727E+04 147 quartz -2.98 -4.73 -1.75 -0.582 0.29826E+04 156 siderite -2.59 -4.90 -2.31 -0.771 0.39498E+04 157 sillimanite 5.32 1.06 -4.26 -0.426 0.72703E+04 178 topaz-H 4.67 1.06 -3.60 -0.328 0.61540E+04 179 tridymite -2.61 -4.73 -2.11 -0.705 0.36099E+04 182 troilite-low -4.39 -7.43 -3.04 -1.013 0.51869E+04 193 akaganeite 7.77 6.30 -1.47 -0.318 0.25082E+04 200 chalcedony -2.79 -4.73 -1.93 -0.645 0.33029E+04 215 gypsum -4.92 -9.47 -4.54 -1.136 0.77593E+04 234 boehmite 4.43 2.90 -1.53 -0.256 0.26184E+04 236 ferrous-oxide 9.82 6.75 -3.08 -0.769 0.52544E+04 241 silica-amorphous -2.08 -4.73 -2.65 -0.883 0.45231E+04 Calculations done for 100.0000 Deg. C; 100.0000 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 = 100.00 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 = .2461550E-03 Osmotic coef. = 0.9906 True ionic strength = .2439982E-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+ 0.26389E-06 -6.5786 0.25387E-06 -6.5954 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 0.96191E+00 -0.0169 4 SO4-- 0.25335E-04 -4.5963 0.22889E-04 -4.6404 0.90347E+00 -0.0441 5 HCO3- 0.87526E-05 -5.0579 0.84195E-05 -5.0747 0.96194E+00 -0.0169 6 HS- 0.33105E-07 -7.4801 0.31844E-07 -7.4970 0.96192E+00 -0.0169 7 Al+++ 0.15832E-16 -16.8005 0.12880E-16 -16.8901 0.81357E+00 -0.0896 8 H4SiO4 0.19705E-04 -4.7054 0.19705E-04 -4.7054 0.10000E+01 0.0000 9 Ca++ 0.16538E-04 -4.7815 0.14940E-04 -4.8257 0.90335E+00 -0.0441 10 Mg++ 0.15052E-05 -5.8224 0.13596E-05 -5.8666 0.90328E+00 -0.0442 11 Fe++ 0.41643E-06 -6.3805 0.37616E-06 -6.4246 0.90329E+00 -0.0442 12 K+ 0.40325E-06 -6.3944 0.38791E-06 -6.4113 0.96194E+00 -0.0169 13 Na+ 0.16245E-03 -3.7893 0.15626E-03 -3.8061 0.96191E+00 -0.0169 14 Mn++ 0.32360E-07 -7.4900 0.29231E-07 -7.5342 0.90331E+00 -0.0442 15 HPO4-- 0.21702E-08 -8.6635 0.19607E-08 -8.7076 0.90347E+00 -0.0441 16 HSiO3- 0.78730E-07 -7.1039 0.75731E-07 -7.1207 0.96191E+00 -0.0169 17 Ca(HSiO3)+ 0.26352E-10 -10.5792 0.25350E-10 -10.5960 0.96195E+00 -0.0168 18 Mg(HSiO3)+ 0.29846E-11 -11.5251 0.28710E-11 -11.5420 0.96195E+00 -0.0168 19 NaHSiO3,aq 0.18795E-09 -9.7260 0.18795E-09 -9.7260 0.10000E+01 0.0000 20 AlO+ 0.26820E-10 -10.5715 0.25800E-10 -10.5884 0.96195E+00 -0.0168 21 AlOH+2 0.36322E-13 -13.4398 0.32810E-13 -13.4840 0.90332E+00 -0.0442 22 HAlO2,aq 0.20336E-07 -7.6917 0.20336E-07 -7.6917 0.10000E+01 0.0000 23 AlO2- 0.18595E-06 -6.7306 0.17886E-06 -6.7475 0.96188E+00 -0.0169 24 CH4,aq 0.11495E-13 -13.9395 0.11494E-13 -13.9395 0.99992E+00 0.0000 29 CO,aq 0.35963E-15 -15.4441 0.35963E-15 -15.4441 0.10000E+01 0.0000 30 CO2,aq 0.43099E-05 -5.3655 0.43095E-05 -5.3656 0.99992E+00 0.0000 31 CO3-2 0.33941E-08 -8.4693 0.30664E-08 -8.5134 0.90343E+00 -0.0441 32 CaCO3,aq 0.56108E-09 -9.2510 0.56108E-09 -9.2510 0.10000E+01 0.0000 33 Ca(HCO3)+ 0.32948E-08 -8.4822 0.31694E-08 -8.4990 0.96195E+00 -0.0168 34 CaCl+ 0.32843E-08 -8.4836 0.31594E-08 -8.5004 0.96195E+00 -0.0168 35 CaCl2,aq 0.97623E-13 -13.0104 0.97623E-13 -13.0104 0.10000E+01 0.0000 36 CaOH+ 0.43137E-08 -8.3651 0.41496E-08 -8.3820 0.96195E+00 -0.0168 37 CaSO4,aq 0.10655E-06 -6.9725 0.10655E-06 -6.9725 0.10000E+01 0.0000 38 HCl,aq 0.63372E-11 -11.1981 0.63372E-11 -11.1981 0.10000E+01 0.0000 43 FeCl+ 0.80827E-10 -10.0924 0.77751E-10 -10.1093 0.96195E+00 -0.0168 44 FeCl2,aq 0.32002E-18 -18.4948 0.32002E-18 -18.4948 0.10000E+01 0.0000 46 FeO,aq 0.23080E-09 -9.6368 0.23080E-09 -9.6368 0.10000E+01 0.0000 47 FeOH+ 0.51065E-07 -7.2919 0.49122E-07 -7.3087 0.96195E+00 -0.0168 48 HFeO2- 0.10166E-10 -10.9929 0.97785E-11 -11.0097 0.96191E+00 -0.0169 49 FeO+ 0.21831E-11 -11.6609 0.21000E-11 -11.6778 0.96195E+00 -0.0168 50 FeOH+2 0.10982E-15 -15.9593 0.99207E-16 -16.0035 0.90332E+00 -0.0442 51 FeO2- 0.66577E-11 -11.1767 0.64041E-11 -11.1935 0.96191E+00 -0.0169 52 HFeO2,aq 0.20347E-09 -9.6915 0.20347E-09 -9.6915 0.10000E+01 0.0000 53 H2,aq 0.32404E-08 -8.4894 0.32401E-08 -8.4894 0.99992E+00 0.0000 54 KCl,aq 0.91151E-12 -12.0402 0.91151E-12 -12.0402 0.10000E+01 0.0000 55 KHSO4,aq 0.60318E-17 -17.2196 0.60318E-17 -17.2196 0.10000E+01 0.0000 56 KOH,aq 0.66612E-12 -12.1764 0.66612E-12 -12.1764 0.10000E+01 0.0000 57 KSO4- 0.14221E-09 -9.8471 0.13679E-09 -9.8639 0.96191E+00 -0.0169 58 MgCO3,aq 0.12759E-10 -10.8942 0.12759E-10 -10.8942 0.10000E+01 0.0000 59 Mg(HCO3)+ 0.30576E-09 -9.5146 0.29412E-09 -9.5315 0.96195E+00 -0.0168 60 MgCl+ 0.27134E-09 -9.5665 0.26101E-09 -9.5833 0.96195E+00 -0.0168 61 MgOH+ 0.21748E-08 -8.6626 0.20921E-08 -8.6794 0.96195E+00 -0.0168 63 MnO,aq 0.47878E-12 -12.3199 0.47878E-12 -12.3199 0.10000E+01 0.0000 64 MnOH+ 0.36864E-09 -9.4334 0.35461E-09 -9.4502 0.96195E+00 -0.0168 66 HMnO2- 0.14691E-16 -16.8330 0.14131E-16 -16.8498 0.96191E+00 -0.0169 69 MnCl+ 0.24407E-10 -10.6125 0.23478E-10 -10.6293 0.96195E+00 -0.0168 70 MnSO4,aq 0.18962E-09 -9.7221 0.18962E-09 -9.7221 0.10000E+01 0.0000 71 NaCl,aq 0.67713E-08 -8.1693 0.67713E-08 -8.1693 0.10000E+01 0.0000 72 NaOH,aq 0.27046E-09 -9.5679 0.27046E-09 -9.5679 0.10000E+01 0.0000 74 OH- 0.24564E-05 -5.6097 0.23628E-05 -5.6266 0.96188E+00 -0.0169 79 HPO3-2 0.22211E-19 -19.6534 0.20066E-19 -19.6975 0.90343E+00 -0.0441 81 H2PO3- 0.10403E-19 -19.9828 0.10007E-19 -19.9997 0.96191E+00 -0.0169 82 H3PO4,aq 0.81356E-12 -12.0896 0.81356E-12 -12.0896 0.10000E+01 0.0000 83 H2PO4- 0.90724E-08 -8.0423 0.87270E-08 -8.0591 0.96193E+00 -0.0169 84 PO4-3 0.82831E-14 -14.0818 0.67449E-14 -14.1710 0.81430E+00 -0.0892 87 H2P2O7-2 0.65978E-17 -17.1806 0.59607E-17 -17.2247 0.90343E+00 -0.0441 88 HP2O7-3 0.59177E-17 -17.2278 0.48145E-17 -17.3175 0.81357E+00 -0.0896 90 H2S,aq 0.24292E-07 -7.6145 0.24290E-07 -7.6146 0.99992E+00 0.0000 91 S2-2 0.76190E-17 -17.1181 0.68833E-17 -17.1622 0.90343E+00 -0.0441 96 SO2,aq 0.20026E-16 -16.6984 0.20026E-16 -16.6984 0.10000E+01 0.0000 97 SO3-2 0.11190E-13 -13.9512 0.10112E-13 -13.9952 0.90367E+00 -0.0440 98 HSO3- 0.15618E-12 -12.8064 0.15023E-12 -12.8232 0.96191E+00 -0.0169 99 HSO4- 0.56048E-08 -8.2514 0.53916E-08 -8.2683 0.96196E+00 -0.0168 101 S2O3-2 0.72528E-14 -14.1395 0.65524E-14 -14.1836 0.90343E+00 -0.0441 102 HS2O3- 0.30863E-18 -18.5106 0.29688E-18 -18.5274 0.96191E+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+ 0.2638931E-06 0.1208637E-05 0.1218219E-02 0.0000 2 H2O 0.1000000E+01 0.5550825E+02 0.9999855E+06 0.0000 3 Cl- 0.1379638E-03 0.1379743E-03 0.4891542E+01 2.7183 4 SO4-- 0.2533461E-04 0.2544631E-04 0.2444383E+01 8.5504 5 HCO3- 0.8752589E-05 0.1307001E-04 0.7974855E+00 1.5207 6 HS- 0.3310499E-07 0.5818023E-07 0.1924113E-02 -0.9016 7 Al+++ 0.1583170E-16 0.2063156E-06 0.5566637E-02 2.8961 8 H4SiO4 0.1970535E-04 0.1978430E-04 0.1901553E+01 -4.7054 9 Ca++ 0.1653831E-04 0.1665634E-04 0.6675447E+00 8.3651 10 Mg++ 0.1505170E-05 0.1507937E-05 0.3666053E-01 7.3242 11 Fe++ 0.4164318E-06 0.4680312E-06 0.2613782E-01 6.7662 12 K+ 0.4032535E-06 0.4033973E-06 0.1577345E-01 0.1841 13 Na+ 0.1624488E-03 0.1624561E-03 0.3734787E+01 2.7892 14 Mn++ 0.3236021E-07 0.3294335E-07 0.1809820E-02 5.6566 15 HPO4-- 0.2170227E-08 0.1124340E-07 0.1079117E-02 4.4832 Component Tot moles Aq. moles Solid moles Gas moles 1 H+ -.1842118E-04 0.1208637E-05 -.1962982E-04 0.0000000E+00 2 H2O 0.5550823E+02 0.5550821E+02 0.1286487E-04 0.0000000E+00 3 Cl- 0.1379742E-03 0.1379742E-03 0.0000000E+00 0.0000000E+00 4 SO4-- 0.2555713E-04 0.2544629E-04 0.1108357E-06 0.0000000E+00 5 HCO3- 0.1307000E-04 0.1307000E-04 0.0000000E+00 0.0000000E+00 6 HS- -.5265548E-07 0.5818020E-07 -.1108357E-06 0.0000000E+00 7 Al+++ 0.6195409E-05 0.2063155E-06 0.5989094E-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 0.4680309E-06 0.8866854E-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: 0.1906E-20 Mass of aqueous solution: 0.100001E+04 g Temperature = 100.00 C Pressure = 100.00 bar Mixer frac. = 0.0019000 Log Log Vol Gas or mineral Moles Moles Grams Grams Wt.% (cm3) diaspore 0.5989E-05 -5.223 0.3593E-03 -3.445 83.54 0.1070E-03 hematite 0.4433E-06 -6.353 0.7080E-04 -4.150 16.46 0.1342E-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 = 0.000430 g Volume = 0.000120 cm3 Porosity: 99.9880% 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: 1.0524 bar Gas Mole fraction phi Fugacity Partial P(bar) H2O,gas 0.9995E+00 0.9855 0.1037E+01 0.1052E+01 CO2,gas 0.4653E-03 1.0073 0.4933E-03 0.4897E-03 CH4,gas 0.1705E-10 1.0129 0.1818E-10 0.1794E-10 H2,gas 0.4220E-05 1.0006 0.4444E-05 0.4442E-05 H2S,gas 0.6759E-06 0.9959 0.7084E-06 0.7113E-06 S2,gas 0.9044E-21 1.0000 0.9518E-21 0.9518E-21 CO,gas 0.5396E-12 1.0000 0.5679E-12 0.5679E-12 SO3,gas 0.5240E-33 1.0000 0.5515E-33 0.5515E-33 SO2,gas 0.8810E-16 1.0000 0.9272E-16 0.9272E-16 HCl,gas 0.1063E-13 1.0000 0.1119E-13 0.1119E-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 2.90 2.90 0.00 0.000 0.37914E-11 90 hematite 12.60 12.60 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 1.98 0.00 -1.98 -1.984 0.33882E+04 0.016 2 CO2,gas -6.36 -11.67 -5.31 -1.769 0.90614E+04 -3.307 3 CH4,gas 4.81 -7.93 -12.74 -3.185 0.21754E+05 -10.740 4 H2,gas 8.29 0.93 -7.35 -4.201 0.12554E+05 -5.352 5 H2S,gas -5.94 -14.09 -8.15 -4.075 0.13915E+05 -6.150 6 S2,gas -7.03 -30.05 -23.02 -3.542 0.39309E+05 -21.021 7 CO,gas 3.51 -10.74 -14.25 -4.383 0.24324E+05 -12.246 8 SO3,gas 17.43 -17.83 -35.26 -8.815 0.60203E+05 -33.258 9 SO2,gas 1.14 -16.90 -18.03 -4.809 0.30791E+05 -16.033 10 HCl,gas 5.48 -10.47 -15.95 -7.976 0.27236E+05 -13.951 21 andalusite 5.06 1.09 -3.98 -0.398 0.67882E+04 24 anhydrite -5.28 -9.47 -4.19 -2.093 0.71480E+04 35 aragonite 0.99 -3.30 -4.29 -1.430 0.73271E+04 37 calcite 0.83 -3.30 -4.14 -1.379 0.70658E+04 40 carpholite-Mg 8.65 3.71 -4.94 -0.330 0.84432E+04 41 carpholite-Fe 6.78 3.15 -3.64 -0.242 0.62073E+04 47 daphnite 29.09 25.51 -3.59 -0.112 0.61256E+04 50 chloritoid-Mg 13.26 8.41 -4.85 -0.323 0.82817E+04 51 chloritoid-Fe 9.24 7.85 -1.39 -0.092 0.23661E+04 52 chloritoid-Mn 11.46 6.74 -4.72 -0.315 0.80590E+04 54 coesite -2.37 -4.71 -2.34 -0.779 0.39888E+04 59 corundum 8.43 5.79 -2.64 -0.240 0.45099E+04 61 cristobalite -2.55 -4.71 -2.16 -0.719 0.36817E+04 83 gibbsite 4.10 2.90 -1.20 -0.172 0.20512E+04 92 hercynite 17.34 12.56 -4.79 -0.319 0.81723E+04 98 kaolinite -1.27 -3.62 -2.35 -0.213 0.40049E+04 99 kyanite 4.93 1.09 -3.84 -0.384 0.65650E+04 102 lawsonite 9.68 4.75 -4.93 -0.329 0.84211E+04 107 magnetite 20.13 19.36 -0.77 -0.063 0.13131E+04 128 periclase-Fe 11.64 6.77 -4.87 -1.218 0.83205E+04 142 pyrite -21.23 -22.35 -1.13 -0.265 0.19259E+04 143 pyrrhotite -4.24 -7.33 -3.08 -1.028 0.52635E+04 144 pyrrhotiteFe0.875 -6.00 -8.29 -2.29 -0.841 0.39048E+04 147 quartz -2.98 -4.71 -1.72 -0.574 0.29427E+04 156 siderite -2.59 -4.90 -2.32 -0.772 0.39550E+04 157 sillimanite 5.32 1.09 -4.23 -0.423 0.72304E+04 178 topaz-H 4.67 1.09 -3.58 -0.326 0.61141E+04 179 tridymite -2.61 -4.71 -2.09 -0.697 0.35700E+04 182 troilite-low -4.39 -7.33 -2.93 -0.977 0.50067E+04 193 akaganeite 7.77 6.30 -1.47 -0.318 0.25082E+04 200 chalcedony -2.79 -4.71 -1.91 -0.637 0.32630E+04 215 gypsum -4.92 -9.47 -4.54 -1.135 0.77547E+04 234 boehmite 4.43 2.90 -1.53 -0.256 0.26184E+04 236 ferrous-oxide 9.82 6.77 -3.06 -0.765 0.52216E+04 241 silica-amorphous -2.08 -4.71 -2.63 -0.875 0.44832E+04 Calculations done for 100.0000 Deg. C; 100.0000 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 = 100.00 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 = .2465753E-03 Osmotic coef. = 0.9906 True ionic strength = .2445596E-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+ 0.24443E-06 -6.6118 0.23514E-06 -6.6287 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 0.96189E+00 -0.0169 4 SO4-- 0.25322E-04 -4.5965 0.22876E-04 -4.6406 0.90338E+00 -0.0441 5 HCO3- 0.89706E-05 -5.0472 0.86290E-05 -5.0640 0.96192E+00 -0.0169 6 HS- 0.41326E-07 -7.3838 0.39751E-07 -7.4007 0.96189E+00 -0.0169 7 Al+++ 0.12583E-16 -16.9002 0.10235E-16 -16.9899 0.81339E+00 -0.0897 8 H4SiO4 0.20736E-04 -4.6833 0.20736E-04 -4.6833 0.10000E+01 0.0000 9 Ca++ 0.16652E-04 -4.7785 0.15041E-04 -4.8227 0.90327E+00 -0.0442 10 Mg++ 0.15842E-05 -5.8002 0.14308E-05 -5.8444 0.90319E+00 -0.0442 11 Fe++ 0.37090E-06 -6.4307 0.33500E-06 -6.4750 0.90321E+00 -0.0442 12 K+ 0.42448E-06 -6.3721 0.40831E-06 -6.3890 0.96192E+00 -0.0169 13 Na+ 0.16257E-03 -3.7889 0.15638E-03 -3.8058 0.96189E+00 -0.0169 14 Mn++ 0.34033E-07 -7.4681 0.30740E-07 -7.5123 0.90322E+00 -0.0442 15 HPO4-- 0.24292E-08 -8.6145 0.21945E-08 -8.6587 0.90339E+00 -0.0441 16 HSiO3- 0.89447E-07 -7.0484 0.86038E-07 -7.0653 0.96189E+00 -0.0169 17 Ca(HSiO3)+ 0.30143E-10 -10.5208 0.28995E-10 -10.5377 0.96192E+00 -0.0169 18 Mg(HSiO3)+ 0.35685E-11 -11.4475 0.34327E-11 -11.4644 0.96192E+00 -0.0169 19 NaHSiO3,aq 0.21369E-09 -9.6702 0.21369E-09 -9.6702 0.10000E+01 0.0000 20 AlO+ 0.24842E-10 -10.6048 0.23896E-10 -10.6217 0.96192E+00 -0.0169 21 AlOH+2 0.31163E-13 -13.5064 0.28148E-13 -13.5506 0.90324E+00 -0.0442 22 HAlO2,aq 0.20336E-07 -7.6917 0.20336E-07 -7.6917 0.10000E+01 0.0000 23 AlO2- 0.20077E-06 -6.6973 0.19311E-06 -6.7142 0.96186E+00 -0.0169 24 CH4,aq 0.14715E-13 -13.8323 0.14713E-13 -13.8323 0.99992E+00 0.0000 29 CO,aq 0.36789E-15 -15.4343 0.36789E-15 -15.4343 0.10000E+01 0.0000 30 CO2,aq 0.40913E-05 -5.3881 0.40910E-05 -5.3882 0.99992E+00 0.0000 31 CO3-2 0.37560E-08 -8.4253 0.33930E-08 -8.4694 0.90335E+00 -0.0441 32 CaCO3,aq 0.62505E-09 -9.2041 0.62505E-09 -9.2041 0.10000E+01 0.0000 33 Ca(HCO3)+ 0.33998E-08 -8.4685 0.32703E-08 -8.4854 0.96192E+00 -0.0169 34 CaCl+ 0.33066E-08 -8.4806 0.31807E-08 -8.4975 0.96192E+00 -0.0169 35 CaCl2,aq 0.98281E-13 -13.0075 0.98281E-13 -13.0075 0.10000E+01 0.0000 36 CaOH+ 0.46890E-08 -8.3289 0.45105E-08 -8.3458 0.96192E+00 -0.0169 37 CaSO4,aq 0.10721E-06 -6.9698 0.10721E-06 -6.9698 0.10000E+01 0.0000 38 HCl,aq 0.58695E-11 -11.2314 0.58695E-11 -11.2314 0.10000E+01 0.0000 43 FeCl+ 0.71982E-10 -10.1428 0.69242E-10 -10.1596 0.96192E+00 -0.0169 44 FeCl2,aq 0.28499E-18 -18.5452 0.28499E-18 -18.5452 0.10000E+01 0.0000 46 FeO,aq 0.23959E-09 -9.6205 0.23959E-09 -9.6205 0.10000E+01 0.0000 47 FeOH+ 0.49101E-07 -7.3089 0.47231E-07 -7.3258 0.96192E+00 -0.0169 48 HFeO2- 0.11394E-10 -10.9433 0.10959E-10 -10.9602 0.96189E+00 -0.0169 49 FeO+ 0.20221E-11 -11.6942 0.19451E-11 -11.7111 0.96192E+00 -0.0169 50 FeOH+2 0.94228E-16 -16.0258 0.85110E-16 -16.0700 0.90324E+00 -0.0442 51 FeO2- 0.71881E-11 -11.1434 0.69142E-11 -11.1603 0.96189E+00 -0.0169 52 HFeO2,aq 0.20347E-09 -9.6915 0.20347E-09 -9.6915 0.10000E+01 0.0000 53 H2,aq 0.34919E-08 -8.4569 0.34916E-08 -8.4570 0.99992E+00 0.0000 54 KCl,aq 0.95944E-12 -12.0180 0.95944E-12 -12.0180 0.10000E+01 0.0000 55 KHSO4,aq 0.58774E-17 -17.2308 0.58774E-17 -17.2308 0.10000E+01 0.0000 56 KOH,aq 0.75700E-12 -12.1209 0.75700E-12 -12.1209 0.10000E+01 0.0000 57 KSO4- 0.14960E-09 -9.8251 0.14390E-09 -9.8419 0.96189E+00 -0.0169 58 MgCO3,aq 0.14858E-10 -10.8280 0.14858E-10 -10.8280 0.10000E+01 0.0000 59 Mg(HCO3)+ 0.32979E-09 -9.4818 0.31724E-09 -9.4986 0.96192E+00 -0.0169 60 MgCl+ 0.28555E-09 -9.5443 0.27468E-09 -9.5612 0.96192E+00 -0.0169 61 MgOH+ 0.24712E-08 -8.6071 0.23771E-08 -8.6240 0.96192E+00 -0.0169 63 MnO,aq 0.58688E-12 -12.2315 0.58688E-12 -12.2315 0.10000E+01 0.0000 64 MnOH+ 0.41854E-09 -9.3783 0.40261E-09 -9.3951 0.96192E+00 -0.0169 66 HMnO2- 0.19442E-16 -16.7113 0.18701E-16 -16.7281 0.96189E+00 -0.0169 69 MnCl+ 0.25666E-10 -10.5906 0.24689E-10 -10.6075 0.96192E+00 -0.0169 70 MnSO4,aq 0.19929E-09 -9.7005 0.19929E-09 -9.7005 0.10000E+01 0.0000 71 NaCl,aq 0.67762E-08 -8.1690 0.67762E-08 -8.1690 0.10000E+01 0.0000 72 NaOH,aq 0.29222E-09 -9.5343 0.29222E-09 -9.5343 0.10000E+01 0.0000 74 OH- 0.26521E-05 -5.5764 0.25509E-05 -5.5933 0.96186E+00 -0.0169 79 HPO3-2 0.26791E-19 -19.5720 0.24202E-19 -19.6162 0.90335E+00 -0.0441 81 H2PO3- 0.11622E-19 -19.9347 0.11179E-19 -19.9516 0.96189E+00 -0.0169 82 H3PO4,aq 0.78117E-12 -12.1073 0.78117E-12 -12.1073 0.10000E+01 0.0000 83 H2PO4- 0.94052E-08 -8.0266 0.90469E-08 -8.0435 0.96191E+00 -0.0169 84 PO4-3 0.10011E-13 -13.9995 0.81503E-14 -14.0888 0.81412E+00 -0.0893 87 H2P2O7-2 0.70911E-17 -17.1493 0.64057E-17 -17.1934 0.90335E+00 -0.0441 88 HP2O7-3 0.68675E-17 -17.1632 0.55860E-17 -17.2529 0.81340E+00 -0.0897 90 H2S,aq 0.28086E-07 -7.5515 0.28084E-07 -7.5515 0.99992E+00 0.0000 91 S2-2 0.11018E-16 -16.9579 0.99533E-17 -17.0020 0.90335E+00 -0.0441 96 SO2,aq 0.18503E-16 -16.7328 0.18503E-16 -16.7328 0.10000E+01 0.0000 97 SO3-2 0.12053E-13 -13.9189 0.10891E-13 -13.9629 0.90359E+00 -0.0440 98 HSO3- 0.15580E-12 -12.8074 0.14987E-12 -12.8243 0.96189E+00 -0.0169 99 HSO4- 0.51885E-08 -8.2850 0.49910E-08 -8.3018 0.96194E+00 -0.0169 101 S2O3-2 0.83817E-14 -14.0767 0.75716E-14 -14.1208 0.90335E+00 -0.0441 102 HS2O3- 0.33034E-18 -18.4810 0.31775E-18 -18.4979 0.96189E+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+ 0.2444321E-06 0.7093139E-06 0.7149370E-03 0.0000 2 H2O 0.1000000E+01 0.5550825E+02 0.9999854E+06 0.0000 3 Cl- 0.1379638E-03 0.1379743E-03 0.4891541E+01 2.7516 4 SO4-- 0.2532233E-04 0.2543423E-04 0.2443222E+01 8.6167 5 HCO3- 0.8970616E-05 0.1307001E-04 0.7974855E+00 1.5646 6 HS- 0.4132575E-07 0.7025846E-07 0.2323559E-02 -0.7720 7 Al+++ 0.1258288E-16 0.2211281E-06 0.5966294E-02 2.8961 8 H4SiO4 0.2073589E-04 0.2082558E-04 0.2001634E+01 -4.6833 9 Ca++ 0.1665210E-04 0.1677136E-04 0.6721541E+00 8.4346 10 Mg++ 0.1584198E-05 0.1587303E-05 0.3859002E-01 7.4129 11 Fe++ 0.3708993E-06 0.4205357E-06 0.2348536E-01 6.7824 12 K+ 0.4244774E-06 0.4246287E-06 0.1660363E-01 0.2397 13 Na+ 0.1625743E-03 0.1625816E-03 0.3737672E+01 2.8228 14 Mn++ 0.3403313E-07 0.3467722E-07 0.1905073E-02 5.7450 15 HPO4-- 0.2429196E-08 0.1183516E-07 0.1135913E-02 4.5987 Component Tot moles Aq. moles Solid moles Gas moles 1 H+ -.2007703E-04 0.7093134E-06 -.2078634E-04 0.0000000E+00 2 H2O 0.5550823E+02 0.5550821E+02 0.1360619E-04 0.0000000E+00 3 Cl- 0.1379742E-03 0.1379742E-03 0.0000000E+00 0.0000000E+00 4 SO4-- 0.2555990E-04 0.2543421E-04 0.1256852E-06 0.0000000E+00 5 HCO3- 0.1307000E-04 0.1307000E-04 0.0000000E+00 0.0000000E+00 6 HS- -.5542682E-07 0.7025841E-07 -.1256852E-06 0.0000000E+00 7 Al+++ 0.6521483E-05 0.2211279E-06 0.6300355E-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 0.4205354E-06 0.1005482E-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: 0.1694E-20 Mass of aqueous solution: 0.100001E+04 g Temperature = 100.00 C Pressure = 100.00 bar Mixer frac. = 0.0020000 Log Log Vol Gas or mineral Moles Moles Grams Grams Wt.% (cm3) diaspore 0.6300E-05 -5.201 0.3780E-03 -3.423 82.48 0.1125E-03 hematite 0.5027E-06 -6.299 0.8029E-04 -4.095 17.52 0.1522E-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 = 0.000458 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: 1.0524 bar Gas Mole fraction phi Fugacity Partial P(bar) H2O,gas 0.9996E+00 0.9855 0.1037E+01 0.1052E+01 CO2,gas 0.4417E-03 1.0073 0.4683E-03 0.4649E-03 CH4,gas 0.2183E-10 1.0129 0.2327E-10 0.2297E-10 H2,gas 0.4548E-05 1.0006 0.4789E-05 0.4786E-05 H2S,gas 0.7815E-06 0.9959 0.8191E-06 0.8225E-06 S2,gas 0.1041E-20 1.0000 0.1096E-20 0.1096E-20 CO,gas 0.5520E-12 1.0000 0.5809E-12 0.5809E-12 SO3,gas 0.4493E-33 1.0000 0.4729E-33 0.4729E-33 SO2,gas 0.8140E-16 1.0000 0.8567E-16 0.8567E-16 HCl,gas 0.9848E-14 1.0000 0.1036E-13 0.1036E-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 2.90 2.90 0.00 0.000 -0.22748E-11 90 hematite 12.60 12.60 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 1.98 0.00 -1.98 -1.984 0.33882E+04 0.016 2 CO2,gas -6.36 -11.69 -5.33 -1.776 0.91000E+04 -3.329 3 CH4,gas 4.81 -7.82 -12.63 -3.158 0.21571E+05 -10.633 4 H2,gas 8.29 0.97 -7.32 -4.183 0.12498E+05 -5.320 5 H2S,gas -5.94 -14.03 -8.09 -4.043 0.13808E+05 -6.087 6 S2,gas -7.03 -29.99 -22.96 -3.532 0.39204E+05 -20.960 7 CO,gas 3.51 -10.73 -14.24 -4.380 0.24307E+05 -12.236 8 SO3,gas 17.43 -17.90 -35.33 -8.831 0.60317E+05 -33.325 9 SO2,gas 1.14 -16.93 -18.07 -4.818 0.30849E+05 -16.067 10 HCl,gas 5.48 -10.51 -15.98 -7.992 0.27293E+05 -13.984 21 andalusite 5.06 1.11 -3.95 -0.395 0.67504E+04 24 anhydrite -5.28 -9.46 -4.18 -2.092 0.71434E+04 35 aragonite 0.99 -3.26 -4.24 -1.415 0.72470E+04 37 calcite 0.83 -3.26 -4.09 -1.364 0.69857E+04 40 carpholite-Mg 8.65 3.84 -4.81 -0.321 0.82161E+04 41 carpholite-Fe 6.78 3.21 -3.57 -0.238 0.61040E+04 47 daphnite 29.09 25.65 -3.44 -0.107 0.58737E+04 50 chloritoid-Mg 13.26 8.52 -4.74 -0.316 0.80924E+04 51 chloritoid-Fe 9.24 7.89 -1.35 -0.090 0.23006E+04 52 chloritoid-Mn 11.46 6.85 -4.61 -0.307 0.78702E+04 54 coesite -2.37 -4.68 -2.31 -0.771 0.39510E+04 59 corundum 8.43 5.79 -2.64 -0.240 0.45099E+04 61 cristobalite -2.55 -4.68 -2.13 -0.711 0.36439E+04 83 gibbsite 4.10 2.90 -1.20 -0.172 0.20512E+04 92 hercynite 17.34 12.57 -4.77 -0.318 0.81446E+04 98 kaolinite -1.27 -3.57 -2.30 -0.209 0.39293E+04 99 kyanite 4.93 1.11 -3.82 -0.382 0.65272E+04 102 lawsonite 9.68 4.86 -4.82 -0.321 0.82268E+04 106 magnesite 0.71 -4.28 -4.99 -1.663 0.85187E+04 107 magnetite 20.13 19.38 -0.75 -0.061 0.12854E+04 128 periclase-Fe 11.64 6.78 -4.86 -1.214 0.82928E+04 142 pyrite -21.23 -22.24 -1.02 -0.240 0.17383E+04 143 pyrrhotite -4.24 -7.25 -3.00 -1.001 0.51282E+04 144 pyrrhotiteFe0.875 -6.00 -8.21 -2.21 -0.814 0.37798E+04 147 quartz -2.98 -4.68 -1.70 -0.567 0.29049E+04 152 rhodochrosite -0.96 -5.95 -4.99 -1.663 0.85188E+04 156 siderite -2.59 -4.91 -2.32 -0.774 0.39659E+04 157 sillimanite 5.32 1.11 -4.21 -0.421 0.71926E+04 178 topaz-H 4.67 1.11 -3.56 -0.324 0.60763E+04 179 tridymite -2.61 -4.68 -2.07 -0.690 0.35322E+04 182 troilite-low -4.39 -7.25 -2.85 -0.951 0.48714E+04 193 akaganeite 7.77 6.30 -1.47 -0.318 0.25082E+04 200 chalcedony -2.79 -4.68 -1.89 -0.630 0.32252E+04 215 gypsum -4.92 -9.46 -4.54 -1.135 0.77501E+04 234 boehmite 4.43 2.90 -1.53 -0.256 0.26184E+04 236 ferrous-oxide 9.82 6.78 -3.04 -0.760 0.51939E+04 241 silica-amorphous -2.08 -4.68 -2.60 -0.868 0.44454E+04 Calculations done for 100.0000 Deg. C; 100.0000 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 = 100.00 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 = .2470085E-03 Osmotic coef. = 0.9906 True ionic strength = .2451342E-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+ 0.22655E-06 -6.6448 0.21794E-06 -6.6617 0.96197E+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 0.96187E+00 -0.0169 4 SO4-- 0.25310E-04 -4.5967 0.22863E-04 -4.6409 0.90330E+00 -0.0442 5 HCO3- 0.91807E-05 -5.0371 0.88308E-05 -5.0540 0.96189E+00 -0.0169 6 HS- 0.49677E-07 -7.3038 0.47783E-07 -7.3207 0.96187E+00 -0.0169 7 Al+++ 0.10020E-16 -16.9991 0.81487E-17 -17.0889 0.81322E+00 -0.0898 8 H4SiO4 0.21765E-04 -4.6622 0.21765E-04 -4.6622 0.10000E+01 0.0000 9 Ca++ 0.16766E-04 -4.7756 0.15143E-04 -4.8198 0.90318E+00 -0.0442 10 Mg++ 0.16632E-05 -5.7791 0.15020E-05 -5.8233 0.90310E+00 -0.0443 11 Fe++ 0.32919E-06 -6.4826 0.29730E-06 -6.5268 0.90312E+00 -0.0443 12 K+ 0.44570E-06 -6.3510 0.42872E-06 -6.3678 0.96190E+00 -0.0169 13 Na+ 0.16270E-03 -3.7886 0.15650E-03 -3.8055 0.96187E+00 -0.0169 14 Mn++ 0.35701E-07 -7.4473 0.32243E-07 -7.4916 0.90314E+00 -0.0442 15 HPO4-- 0.27083E-08 -8.5673 0.24464E-08 -8.6115 0.90330E+00 -0.0442 16 HSiO3- 0.10130E-06 -6.9944 0.97439E-07 -7.0113 0.96187E+00 -0.0169 17 Ca(HSiO3)+ 0.34368E-10 -10.4638 0.33058E-10 -10.4807 0.96190E+00 -0.0169 18 Mg(HSiO3)+ 0.42426E-11 -11.3724 0.40810E-11 -11.3892 0.96190E+00 -0.0169 19 NaHSiO3,aq 0.24219E-09 -9.6158 0.24219E-09 -9.6158 0.10000E+01 0.0000 20 AlO+ 0.23025E-10 -10.6378 0.22148E-10 -10.6547 0.96190E+00 -0.0169 21 AlOH+2 0.26773E-13 -13.5723 0.24180E-13 -13.6165 0.90315E+00 -0.0442 22 HAlO2,aq 0.20336E-07 -7.6917 0.20336E-07 -7.6917 0.10000E+01 0.0000 23 AlO2- 0.21662E-06 -6.6643 0.20835E-06 -6.6812 0.96184E+00 -0.0169 24 CH4,aq 0.18112E-13 -13.7420 0.18110E-13 -13.7421 0.99992E+00 0.0000 29 CO,aq 0.37244E-15 -15.4289 0.37244E-15 -15.4289 0.10000E+01 0.0000 30 CO2,aq 0.38806E-05 -5.4111 0.38803E-05 -5.4111 0.99992E+00 0.0000 31 CO3-2 0.41477E-08 -8.3822 0.37464E-08 -8.4264 0.90326E+00 -0.0442 32 CaCO3,aq 0.69482E-09 -9.1581 0.69482E-09 -9.1581 0.10000E+01 0.0000 33 Ca(HCO3)+ 0.35028E-08 -8.4556 0.33694E-08 -8.4724 0.96190E+00 -0.0169 34 CaCl+ 0.33289E-08 -8.4777 0.32021E-08 -8.4946 0.96190E+00 -0.0169 35 CaCl2,aq 0.98938E-13 -13.0046 0.98938E-13 -13.0046 0.10000E+01 0.0000 36 CaOH+ 0.50934E-08 -8.2930 0.48993E-08 -8.3099 0.96190E+00 -0.0169 37 CaSO4,aq 0.10787E-06 -6.9671 0.10787E-06 -6.9671 0.10000E+01 0.0000 38 HCl,aq 0.54400E-11 -11.2644 0.54400E-11 -11.2644 0.10000E+01 0.0000 43 FeCl+ 0.63882E-10 -10.1946 0.61448E-10 -10.2115 0.96190E+00 -0.0169 44 FeCl2,aq 0.25290E-18 -18.5970 0.25290E-18 -18.5970 0.10000E+01 0.0000 46 FeO,aq 0.24752E-09 -9.6064 0.24752E-09 -9.6064 0.10000E+01 0.0000 47 FeOH+ 0.47016E-07 -7.3278 0.45225E-07 -7.3446 0.96190E+00 -0.0169 48 HFeO2- 0.12700E-10 -10.8962 0.12216E-10 -10.9131 0.96187E+00 -0.0169 49 FeO+ 0.18742E-11 -11.7272 0.18028E-11 -11.7440 0.96190E+00 -0.0169 50 FeOH+2 0.80951E-16 -16.0918 0.73111E-16 -16.1360 0.90315E+00 -0.0442 51 FeO2- 0.77557E-11 -11.1104 0.74600E-11 -11.1273 0.96187E+00 -0.0169 52 HFeO2,aq 0.20347E-09 -9.6915 0.20347E-09 -9.6915 0.10000E+01 0.0000 53 H2,aq 0.37269E-08 -8.4287 0.37266E-08 -8.4287 0.99992E+00 0.0000 54 KCl,aq 0.10074E-11 -11.9968 0.10074E-11 -11.9968 0.10000E+01 0.0000 55 KHSO4,aq 0.57163E-17 -17.2429 0.57163E-17 -17.2429 0.10000E+01 0.0000 56 KOH,aq 0.85758E-12 -12.0667 0.85758E-12 -12.0667 0.10000E+01 0.0000 57 KSO4- 0.15700E-09 -9.8041 0.15101E-09 -9.8210 0.96187E+00 -0.0169 58 MgCO3,aq 0.17222E-10 -10.7639 0.17222E-10 -10.7639 0.10000E+01 0.0000 59 Mg(HCO3)+ 0.35431E-09 -9.4506 0.34081E-09 -9.4675 0.96190E+00 -0.0169 60 MgCl+ 0.29976E-09 -9.5232 0.28834E-09 -9.5401 0.96190E+00 -0.0169 61 MgOH+ 0.27990E-08 -8.5530 0.26923E-08 -8.5699 0.96190E+00 -0.0169 63 MnO,aq 0.71661E-12 -12.1447 0.71661E-12 -12.1447 0.10000E+01 0.0000 64 MnOH+ 0.47368E-09 -9.3245 0.45563E-09 -9.3414 0.96190E+00 -0.0169 66 HMnO2- 0.25614E-16 -16.5915 0.24638E-16 -16.6084 0.96187E+00 -0.0169 69 MnCl+ 0.26921E-10 -10.5699 0.25896E-10 -10.5868 0.96190E+00 -0.0169 70 MnSO4,aq 0.20891E-09 -9.6800 0.20891E-09 -9.6800 0.10000E+01 0.0000 71 NaCl,aq 0.67811E-08 -8.1687 0.67811E-08 -8.1687 0.10000E+01 0.0000 72 NaOH,aq 0.31553E-09 -9.5010 0.31553E-09 -9.5010 0.10000E+01 0.0000 74 OH- 0.28615E-05 -5.5434 0.27523E-05 -5.5603 0.96184E+00 -0.0169 79 HPO3-2 0.31880E-19 -19.4965 0.28796E-19 -19.5407 0.90326E+00 -0.0442 81 H2PO3- 0.12816E-19 -19.8922 0.12328E-19 -19.9091 0.96187E+00 -0.0169 82 H3PO4,aq 0.74807E-12 -12.1261 0.74807E-12 -12.1261 0.10000E+01 0.0000 83 H2PO4- 0.97179E-08 -8.0124 0.93475E-08 -8.0293 0.96188E+00 -0.0169 84 PO4-3 0.12044E-13 -13.9192 0.98031E-14 -14.0086 0.81395E+00 -0.0894 87 H2P2O7-2 0.75708E-17 -17.1209 0.68384E-17 -17.1650 0.90326E+00 -0.0442 88 HP2O7-3 0.79118E-17 -17.1017 0.64341E-17 -17.1915 0.81323E+00 -0.0898 89 P2O7-4 0.10368E-19 -19.9843 0.72832E-20 -20.1377 0.70244E+00 -0.1534 90 H2S,aq 0.31291E-07 -7.5046 0.31289E-07 -7.5046 0.99992E+00 0.0000 91 S2-2 0.14918E-16 -16.8263 0.13475E-16 -16.8705 0.90326E+00 -0.0442 96 SO2,aq 0.16955E-16 -16.7707 0.16955E-16 -16.7707 0.10000E+01 0.0000 97 SO3-2 0.12858E-13 -13.8908 0.11617E-13 -13.9349 0.90350E+00 -0.0441 98 HSO3- 0.15404E-12 -12.8124 0.14817E-12 -12.8292 0.96187E+00 -0.0169 99 HSO4- 0.48063E-08 -8.3182 0.46232E-08 -8.3351 0.96192E+00 -0.0169 101 S2O3-2 0.93338E-14 -14.0299 0.84309E-14 -14.0741 0.90326E+00 -0.0442 102 HS2O3- 0.34092E-18 -18.4673 0.32792E-18 -18.4842 0.96187E+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+ 0.2265534E-06 0.1999254E-06 0.2015102E-03 0.0000 2 H2O 0.1000000E+01 0.5550825E+02 0.9999853E+06 0.0000 3 Cl- 0.1379638E-03 0.1379743E-03 0.4891541E+01 2.7845 4 SO4-- 0.2531048E-04 0.2542261E-04 0.2442106E+01 8.6825 5 HCO3- 0.9180669E-05 0.1307001E-04 0.7974854E+00 1.6077 6 HS- 0.4967726E-07 0.8187364E-07 0.2707691E-02 -0.6591 7 Al+++ 0.1002028E-16 0.2369804E-06 0.6394007E-02 2.8961 8 H4SiO4 0.2176528E-04 0.2186686E-04 0.2101716E+01 -4.6622 9 Ca++ 0.1676585E-04 0.1688637E-04 0.6767635E+00 8.5035 10 Mg++ 0.1663193E-05 0.1666668E-05 0.4051952E-01 7.5000 11 Fe++ 0.3291911E-06 0.3767444E-06 0.2103978E-01 6.7965 12 K+ 0.4457013E-06 0.4458602E-06 0.1743381E-01 0.2938 13 Na+ 0.1626998E-03 0.1627071E-03 0.3740558E+01 2.8562 14 Mn++ 0.3570085E-07 0.3641108E-07 0.2000327E-02 5.8318 15 HPO4-- 0.2708294E-08 0.1242692E-07 0.1192708E-02 4.7119 Component Tot moles Aq. moles Solid moles Gas moles 1 H+ -.2173288E-04 0.1999252E-06 -.2193281E-04 0.0000000E+00 2 H2O 0.5550822E+02 0.5550821E+02 0.1434173E-04 0.0000000E+00 3 Cl- 0.1379742E-03 0.1379742E-03 0.0000000E+00 0.0000000E+00 4 SO4-- 0.2556267E-04 0.2542260E-04 0.1400717E-06 0.0000000E+00 5 HCO3- 0.1307000E-04 0.1307000E-04 0.0000000E+00 0.0000000E+00 6 HS- -.5819816E-07 0.8187358E-07 -.1400717E-06 0.0000000E+00 7 Al+++ 0.6847557E-05 0.2369802E-06 0.6610577E-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 0.3767441E-06 0.1120574E-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: -.4235E-21 Mass of aqueous solution: 0.100001E+04 g Temperature = 100.00 C Pressure = 100.00 bar Mixer frac. = 0.0021000 Log Log Vol Gas or mineral Moles Moles Grams Grams Wt.% (cm3) diaspore 0.6611E-05 -5.180 0.3966E-03 -3.402 81.59 0.1181E-03 hematite 0.5603E-06 -6.252 0.8948E-04 -4.048 18.41 0.1696E-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 = 0.000486 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: 1.0524 bar Gas Mole fraction phi Fugacity Partial P(bar) H2O,gas 0.9996E+00 0.9855 0.1037E+01 0.1052E+01 CO2,gas 0.4190E-03 1.0073 0.4442E-03 0.4409E-03 CH4,gas 0.2687E-10 1.0129 0.2864E-10 0.2827E-10 H2,gas 0.4854E-05 1.0006 0.5111E-05 0.5108E-05 H2S,gas 0.8707E-06 0.9959 0.9126E-06 0.9163E-06 S2,gas 0.1134E-20 1.0000 0.1194E-20 0.1194E-20 CO,gas 0.5588E-12 1.0000 0.5881E-12 0.5881E-12 SO3,gas 0.3858E-33 1.0000 0.4060E-33 0.4060E-33 SO2,gas 0.7459E-16 1.0000 0.7850E-16 0.7850E-16 HCl,gas 0.9127E-14 1.0000 0.9605E-14 0.9605E-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 2.90 2.90 0.00 0.000 -0.22748E-11 90 hematite 12.60 12.60 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 1.98 0.00 -1.98 -1.984 0.33882E+04 0.016 2 CO2,gas -6.36 -11.72 -5.35 -1.784 0.91392E+04 -3.352 3 CH4,gas 4.81 -7.73 -12.54 -3.136 0.21417E+05 -10.543 4 H2,gas 8.29 1.00 -7.29 -4.167 0.12450E+05 -5.291 5 H2S,gas -5.94 -13.98 -8.04 -4.020 0.13728E+05 -6.040 6 S2,gas -7.03 -29.96 -22.92 -3.527 0.39140E+05 -20.923 7 CO,gas 3.51 -10.72 -14.23 -4.379 0.24298E+05 -12.231 8 SO3,gas 17.43 -17.96 -35.39 -8.848 0.60430E+05 -33.392 9 SO2,gas 1.14 -16.97 -18.11 -4.828 0.30914E+05 -16.105 10 HCl,gas 5.48 -10.54 -16.02 -8.009 0.27349E+05 -14.017 21 andalusite 5.06 1.13 -3.93 -0.393 0.67145E+04 24 anhydrite -5.28 -9.46 -4.18 -2.090 0.71388E+04 35 aragonite 0.99 -3.21 -4.20 -1.399 0.71686E+04 37 calcite 0.83 -3.21 -4.05 -1.348 0.69072E+04 40 carpholite-Mg 8.65 3.97 -4.68 -0.312 0.79955E+04 41 carpholite-Fe 6.78 3.26 -3.52 -0.235 0.60080E+04 47 daphnite 29.09 25.79 -3.31 -0.103 0.56451E+04 50 chloritoid-Mg 13.26 8.63 -4.63 -0.309 0.79078E+04 51 chloritoid-Fe 9.24 7.93 -1.31 -0.087 0.22405E+04 52 chloritoid-Mn 11.46 6.96 -4.50 -0.300 0.76862E+04 54 coesite -2.37 -4.66 -2.29 -0.764 0.39150E+04 59 corundum 8.43 5.79 -2.64 -0.240 0.45099E+04 61 cristobalite -2.55 -4.66 -2.11 -0.704 0.36079E+04 83 gibbsite 4.10 2.90 -1.20 -0.172 0.20512E+04 92 hercynite 17.34 12.59 -4.76 -0.317 0.81204E+04 98 kaolinite -1.27 -3.53 -2.26 -0.205 0.38574E+04 99 kyanite 4.93 1.13 -3.80 -0.380 0.64913E+04 102 lawsonite 9.68 4.97 -4.71 -0.314 0.80373E+04 106 magnesite 0.71 -4.22 -4.92 -1.642 0.84092E+04 107 magnetite 20.13 19.39 -0.74 -0.060 0.12612E+04 128 periclase-Fe 11.64 6.80 -4.84 -1.211 0.82686E+04 142 pyrite -21.23 -22.16 -0.94 -0.221 0.16022E+04 143 pyrrhotite -4.24 -7.19 -2.94 -0.981 0.50239E+04 144 pyrrhotiteFe0.875 -6.00 -8.16 -2.16 -0.794 0.36845E+04 147 quartz -2.98 -4.66 -1.68 -0.560 0.28690E+04 152 rhodochrosite -0.96 -5.88 -4.93 -1.642 0.84099E+04 156 siderite -2.59 -4.92 -2.33 -0.777 0.39809E+04 157 sillimanite 5.32 1.13 -4.19 -0.419 0.71567E+04 178 topaz-H 4.67 1.13 -3.54 -0.322 0.60404E+04 179 tridymite -2.61 -4.66 -2.05 -0.683 0.34963E+04 182 troilite-low -4.39 -7.19 -2.79 -0.931 0.47671E+04 193 akaganeite 7.77 6.30 -1.47 -0.318 0.25082E+04 200 chalcedony -2.79 -4.66 -1.87 -0.623 0.31893E+04 215 gypsum -4.92 -9.46 -4.54 -1.134 0.77456E+04 234 boehmite 4.43 2.90 -1.53 -0.256 0.26184E+04 236 ferrous-oxide 9.82 6.80 -3.03 -0.757 0.51697E+04 241 silica-amorphous -2.08 -4.66 -2.58 -0.861 0.44095E+04 Calculations done for 100.0000 Deg. C; 100.0000 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 = 100.00 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 = .2474553E-03 Osmotic coef. = 0.9905 True ionic strength = .2457228E-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+ 0.21013E-06 -6.6775 0.20214E-06 -6.6944 0.96195E+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 0.96184E+00 -0.0169 4 SO4-- 0.25299E-04 -4.5969 0.22850E-04 -4.6411 0.90321E+00 -0.0442 5 HCO3- 0.93824E-05 -5.0277 0.90247E-05 -5.0446 0.96187E+00 -0.0169 6 HS- 0.58089E-07 -7.2359 0.55872E-07 -7.2528 0.96185E+00 -0.0169 7 Al+++ 0.79966E-17 -17.0971 0.65016E-17 -17.1870 0.81304E+00 -0.0899 8 H4SiO4 0.22793E-04 -4.6422 0.22793E-04 -4.6422 0.10000E+01 0.0000 9 Ca++ 0.16880E-04 -4.7726 0.15244E-04 -4.8169 0.90309E+00 -0.0443 10 Mg++ 0.17422E-05 -5.7589 0.15732E-05 -5.8032 0.90302E+00 -0.0443 11 Fe++ 0.29155E-06 -6.5353 0.26328E-06 -6.5796 0.90303E+00 -0.0443 12 K+ 0.46693E-06 -6.3308 0.44912E-06 -6.3476 0.96187E+00 -0.0169 13 Na+ 0.16283E-03 -3.7883 0.15661E-03 -3.8052 0.96184E+00 -0.0169 14 Mn++ 0.37363E-07 -7.4276 0.33740E-07 -7.4718 0.90305E+00 -0.0443 15 HPO4-- 0.30080E-08 -8.5217 0.27169E-08 -8.5659 0.90321E+00 -0.0442 16 HSiO3- 0.11438E-06 -6.9416 0.11002E-06 -6.9585 0.96184E+00 -0.0169 17 Ca(HSiO3)+ 0.39065E-10 -10.4082 0.37576E-10 -10.4251 0.96188E+00 -0.0169 18 Mg(HSiO3)+ 0.50174E-11 -11.2995 0.48261E-11 -11.3164 0.96188E+00 -0.0169 19 NaHSiO3,aq 0.27366E-09 -9.5628 0.27366E-09 -9.5628 0.10000E+01 0.0000 20 AlO+ 0.21356E-10 -10.6705 0.20542E-10 -10.6874 0.96188E+00 -0.0169 21 AlOH+2 0.23033E-13 -13.6376 0.20800E-13 -13.6819 0.90306E+00 -0.0443 22 HAlO2,aq 0.20336E-07 -7.6917 0.20336E-07 -7.6917 0.10000E+01 0.0000 23 AlO2- 0.23356E-06 -6.6316 0.22464E-06 -6.6485 0.96181E+00 -0.0169 24 CH4,aq 0.21655E-13 -13.6644 0.21653E-13 -13.6645 0.99992E+00 0.0000 29 CO,aq 0.37411E-15 -15.4270 0.37411E-15 -15.4270 0.10000E+01 0.0000 30 CO2,aq 0.36783E-05 -5.4344 0.36780E-05 -5.4344 0.99992E+00 0.0000 31 CO3-2 0.45705E-08 -8.3400 0.41280E-08 -8.3843 0.90317E+00 -0.0442 32 CaCO3,aq 0.77069E-09 -9.1131 0.77069E-09 -9.1131 0.10000E+01 0.0000 33 Ca(HCO3)+ 0.36037E-08 -8.4432 0.34664E-08 -8.4601 0.96188E+00 -0.0169 34 CaCl+ 0.33511E-08 -8.4748 0.32234E-08 -8.4917 0.96188E+00 -0.0169 35 CaCl2,aq 0.99594E-13 -13.0018 0.99594E-13 -13.0018 0.10000E+01 0.0000 36 CaOH+ 0.55284E-08 -8.2574 0.53176E-08 -8.2743 0.96188E+00 -0.0169 37 CaSO4,aq 0.10853E-06 -6.9644 0.10853E-06 -6.9644 0.10000E+01 0.0000 38 HCl,aq 0.50454E-11 -11.2971 0.50454E-11 -11.2971 0.10000E+01 0.0000 43 FeCl+ 0.56572E-10 -10.2474 0.54415E-10 -10.2643 0.96188E+00 -0.0169 44 FeCl2,aq 0.22395E-18 -18.6498 0.22395E-18 -18.6498 0.10000E+01 0.0000 46 FeO,aq 0.25481E-09 -9.5938 0.25481E-09 -9.5938 0.10000E+01 0.0000 47 FeOH+ 0.44892E-07 -7.3478 0.43181E-07 -7.3647 0.96188E+00 -0.0169 48 HFeO2- 0.14097E-10 -10.8509 0.13559E-10 -10.8678 0.96184E+00 -0.0169 49 FeO+ 0.17384E-11 -11.7599 0.16721E-11 -11.7767 0.96188E+00 -0.0169 50 FeOH+2 0.69644E-16 -16.1571 0.62893E-16 -16.2014 0.90306E+00 -0.0443 51 FeO2- 0.83622E-11 -11.0777 0.80432E-11 -11.0946 0.96184E+00 -0.0169 52 HFeO2,aq 0.20347E-09 -9.6915 0.20347E-09 -9.6915 0.10000E+01 0.0000 53 H2,aq 0.39497E-08 -8.4034 0.39494E-08 -8.4035 0.99992E+00 0.0000 54 KCl,aq 0.10553E-11 -11.9766 0.10553E-11 -11.9766 0.10000E+01 0.0000 55 KHSO4,aq 0.55512E-17 -17.2556 0.55512E-17 -17.2556 0.10000E+01 0.0000 56 KOH,aq 0.96863E-12 -12.0138 0.96863E-12 -12.0138 0.10000E+01 0.0000 57 KSO4- 0.16438E-09 -9.7841 0.15811E-09 -9.8010 0.96184E+00 -0.0169 58 MgCO3,aq 0.19875E-10 -10.7017 0.19875E-10 -10.7017 0.10000E+01 0.0000 59 Mg(HCO3)+ 0.37925E-09 -9.4211 0.36479E-09 -9.4380 0.96188E+00 -0.0169 60 MgCl+ 0.31397E-09 -9.5031 0.30200E-09 -9.5200 0.96188E+00 -0.0169 61 MgOH+ 0.31608E-08 -8.5002 0.30403E-08 -8.5171 0.96188E+00 -0.0169 63 MnO,aq 0.87173E-12 -12.0596 0.87173E-12 -12.0596 0.10000E+01 0.0000 64 MnOH+ 0.53445E-09 -9.2721 0.51407E-09 -9.2890 0.96188E+00 -0.0169 66 HMnO2- 0.33596E-16 -16.4737 0.32314E-16 -16.4906 0.96184E+00 -0.0169 69 MnCl+ 0.28172E-10 -10.5502 0.27098E-10 -10.5671 0.96188E+00 -0.0169 70 MnSO4,aq 0.21850E-09 -9.6606 0.21850E-09 -9.6606 0.10000E+01 0.0000 71 NaCl,aq 0.67860E-08 -8.1684 0.67860E-08 -8.1684 0.10000E+01 0.0000 72 NaOH,aq 0.34045E-09 -9.4680 0.34045E-09 -9.4680 0.10000E+01 0.0000 74 OH- 0.30853E-05 -5.5107 0.29675E-05 -5.5276 0.96181E+00 -0.0169 79 HPO3-2 0.37524E-19 -19.4257 0.33891E-19 -19.4699 0.90317E+00 -0.0442 81 H2PO3- 0.13991E-19 -19.8542 0.13457E-19 -19.8711 0.96184E+00 -0.0169 82 H3PO4,aq 0.71467E-12 -12.1459 0.71467E-12 -12.1459 0.10000E+01 0.0000 83 H2PO4- 0.10010E-07 -7.9996 0.96282E-08 -8.0165 0.96186E+00 -0.0169 84 PO4-3 0.14424E-13 -13.8409 0.11738E-13 -13.9304 0.81377E+00 -0.0895 87 H2P2O7-2 0.80331E-17 -17.0951 0.72553E-17 -17.1393 0.90317E+00 -0.0442 88 HP2O7-3 0.90524E-17 -17.0432 0.73600E-17 -17.1331 0.81305E+00 -0.0899 89 P2O7-4 0.12793E-19 -19.8930 0.89826E-20 -20.0466 0.70217E+00 -0.1536 90 H2S,aq 0.33936E-07 -7.4693 0.33933E-07 -7.4694 0.99992E+00 0.0000 91 S2-2 0.19248E-16 -16.7156 0.17384E-16 -16.7598 0.90317E+00 -0.0442 96 SO2,aq 0.15449E-16 -16.8111 0.15449E-16 -16.8111 0.10000E+01 0.0000 97 SO3-2 0.13620E-13 -13.8658 0.12305E-13 -13.9099 0.90341E+00 -0.0441 98 HSO3- 0.15133E-12 -12.8201 0.14556E-12 -12.8370 0.96184E+00 -0.0169 99 HSO4- 0.44555E-08 -8.3511 0.42857E-08 -8.3680 0.96189E+00 -0.0169 101 S2O3-2 0.10118E-13 -13.9949 0.91383E-14 -14.0391 0.90317E+00 -0.0442 102 HS2O3- 0.34275E-18 -18.4650 0.32967E-18 -18.4819 0.96184E+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+ 0.2101315E-06 -.3202814E-06 -.3228203E-03 0.0000 2 H2O 0.1000000E+01 0.5550825E+02 0.9999852E+06 0.0000 3 Cl- 0.1379637E-03 0.1379743E-03 0.4891541E+01 2.8172 4 SO4-- 0.2529910E-04 0.2541150E-04 0.2441039E+01 8.7476 5 HCO3- 0.9382416E-05 0.1307001E-04 0.7974853E+00 1.6498 6 HS- 0.5808859E-07 0.9298493E-07 0.3075159E-02 -0.5584 7 Al+++ 0.7996612E-17 0.2539193E-06 0.6851037E-02 2.8961 8 H4SiO4 0.2279344E-04 0.2290814E-04 0.2201797E+01 -4.6422 9 Ca++ 0.1687956E-04 0.1700139E-04 0.6813730E+00 8.5718 10 Mg++ 0.1742154E-05 0.1746033E-05 0.4244902E-01 7.5855 11 Fe++ 0.2915528E-06 0.3369843E-06 0.1881932E-01 6.8091 12 K+ 0.4669252E-06 0.4670917E-06 0.1826399E-01 0.3467 13 Na+ 0.1628253E-03 0.1628327E-03 0.3743443E+01 2.8892 14 Mn++ 0.3736295E-07 0.3814494E-07 0.2095580E-02 5.9169 15 HPO4-- 0.3008004E-08 0.1301868E-07 0.1249504E-02 4.8228 Component Tot moles Aq. moles Solid moles Gas moles 1 H+ -.2338873E-04 -.3202811E-06 -.2306845E-04 0.0000000E+00 2 H2O 0.5550822E+02 0.5550821E+02 0.1507106E-04 0.0000000E+00 3 Cl- 0.1379742E-03 0.1379742E-03 0.0000000E+00 0.0000000E+00 4 SO4-- 0.2556544E-04 0.2541149E-04 0.1539544E-06 0.0000000E+00 5 HCO3- 0.1307000E-04 0.1307000E-04 0.0000000E+00 0.0000000E+00 6 HS- -.6096950E-07 0.9298486E-07 -.1539544E-06 0.0000000E+00 7 Al+++ 0.7173632E-05 0.2539191E-06 0.6919712E-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 0.3369840E-06 0.1231635E-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: 0.1271E-20 Mass of aqueous solution: 0.100001E+04 g Temperature = 100.00 C Pressure = 100.00 bar Mixer frac. = 0.0022000 Log Log Vol Gas or mineral Moles Moles Grams Grams Wt.% (cm3) diaspore 0.6920E-05 -5.160 0.4151E-03 -3.382 80.85 0.1236E-03 hematite 0.6158E-06 -6.211 0.9835E-04 -4.007 19.15 0.1864E-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 = 0.000513 g Volume = 0.000142 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: 1.0524 bar Gas Mole fraction phi Fugacity Partial P(bar) H2O,gas 0.9996E+00 0.9855 0.1037E+01 0.1052E+01 CO2,gas 0.3972E-03 1.0073 0.4210E-03 0.4180E-03 CH4,gas 0.3212E-10 1.0129 0.3424E-10 0.3380E-10 H2,gas 0.5144E-05 1.0006 0.5417E-05 0.5414E-05 H2S,gas 0.9443E-06 0.9959 0.9897E-06 0.9937E-06 S2,gas 0.1188E-20 1.0000 0.1250E-20 0.1250E-20 CO,gas 0.5613E-12 1.0000 0.5907E-12 0.5907E-12 SO3,gas 0.3317E-33 1.0000 0.3490E-33 0.3490E-33 SO2,gas 0.6797E-16 1.0000 0.7153E-16 0.7153E-16 HCl,gas 0.8465E-14 1.0000 0.8909E-14 0.8909E-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 2.90 2.90 0.00 0.000 0.37914E-11 90 hematite 12.60 12.60 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 1.98 0.00 -1.98 -1.984 0.33882E+04 0.016 2 CO2,gas -6.36 -11.74 -5.38 -1.792 0.91789E+04 -3.376 3 CH4,gas 4.81 -7.66 -12.47 -3.116 0.21284E+05 -10.465 4 H2,gas 8.29 1.02 -7.27 -4.152 0.12407E+05 -5.266 5 H2S,gas -5.94 -13.95 -8.00 -4.002 0.13667E+05 -6.005 6 S2,gas -7.03 -29.94 -22.90 -3.524 0.39106E+05 -20.903 7 CO,gas 3.51 -10.72 -14.23 -4.378 0.24295E+05 -12.229 8 SO3,gas 17.43 -18.03 -35.46 -8.864 0.60542E+05 -33.457 9 SO2,gas 1.14 -17.01 -18.15 -4.839 0.30983E+05 -16.146 10 HCl,gas 5.48 -10.57 -16.05 -8.025 0.27405E+05 -14.050 21 andalusite 5.06 1.15 -3.91 -0.391 0.66803E+04 24 anhydrite -5.28 -9.46 -4.18 -2.089 0.71343E+04 35 aragonite 0.99 -3.17 -4.15 -1.384 0.70917E+04 36 brucite 12.58 7.59 -4.99 -0.998 0.85222E+04 37 calcite 0.83 -3.17 -4.00 -1.333 0.68304E+04 40 carpholite-Mg 8.65 4.09 -4.56 -0.304 0.77811E+04 41 carpholite-Fe 6.78 3.32 -3.47 -0.231 0.59180E+04 47 daphnite 29.09 25.91 -3.18 -0.099 0.54348E+04 50 chloritoid-Mg 13.26 8.74 -4.53 -0.302 0.77276E+04 51 chloritoid-Fe 9.24 7.96 -1.28 -0.085 0.21848E+04 52 chloritoid-Mn 11.46 7.07 -4.40 -0.293 0.75067E+04 54 coesite -2.37 -4.64 -2.27 -0.758 0.38808E+04 59 corundum 8.43 5.79 -2.64 -0.240 0.45099E+04 61 cristobalite -2.55 -4.64 -2.09 -0.698 0.35737E+04 83 gibbsite 4.10 2.90 -1.20 -0.172 0.20512E+04 92 hercynite 17.34 12.60 -4.74 -0.316 0.80989E+04 98 kaolinite -1.27 -3.49 -2.22 -0.202 0.37890E+04 99 kyanite 4.93 1.15 -3.78 -0.378 0.64571E+04 102 lawsonite 9.68 5.08 -4.60 -0.307 0.78523E+04 106 magnesite 0.71 -4.15 -4.86 -1.621 0.83030E+04 107 magnetite 20.13 19.41 -0.73 -0.059 0.12397E+04 128 periclase-Fe 11.64 6.81 -4.83 -1.208 0.82471E+04 142 pyrite -21.23 -22.11 -0.88 -0.207 0.15034E+04 143 pyrrhotite -4.24 -7.14 -2.89 -0.965 0.49422E+04 144 pyrrhotiteFe0.875 -6.00 -8.12 -2.11 -0.778 0.36108E+04 147 quartz -2.98 -4.64 -1.66 -0.553 0.28347E+04 152 rhodochrosite -0.96 -5.82 -4.86 -1.621 0.83043E+04 156 siderite -2.59 -4.93 -2.34 -0.781 0.39991E+04 157 sillimanite 5.32 1.15 -4.17 -0.417 0.71225E+04 178 topaz-H 4.67 1.15 -3.52 -0.320 0.60062E+04 179 tridymite -2.61 -4.64 -2.03 -0.676 0.34620E+04 182 troilite-low -4.39 -7.14 -2.74 -0.915 0.46854E+04 193 akaganeite 7.77 6.30 -1.47 -0.318 0.25082E+04 200 chalcedony -2.79 -4.64 -1.85 -0.616 0.31550E+04 215 gypsum -4.92 -9.46 -4.53 -1.133 0.77410E+04 234 boehmite 4.43 2.90 -1.53 -0.256 0.26184E+04 236 ferrous-oxide 9.82 6.81 -3.02 -0.754 0.51482E+04 241 silica-amorphous -2.08 -4.64 -2.56 -0.854 0.43752E+04 Calculations done for 100.0000 Deg. C; 100.0000 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 = 100.00 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 = .2479160E-03 Osmotic coef. = 0.9905 True ionic strength = .2463253E-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+ 0.19507E-06 -6.7098 0.18764E-06 -6.7267 0.96193E+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 0.96182E+00 -0.0169 4 SO4-- 0.25288E-04 -4.5971 0.22838E-04 -4.6413 0.90312E+00 -0.0443 5 HCO3- 0.95754E-05 -5.0188 0.92100E-05 -5.0357 0.96184E+00 -0.0169 6 HS- 0.66508E-07 -7.1771 0.63969E-07 -7.1940 0.96182E+00 -0.0169 7 Al+++ 0.63981E-17 -17.1939 0.52007E-17 -17.2839 0.81285E+00 -0.0900 8 H4SiO4 0.23820E-04 -4.6231 0.23820E-04 -4.6231 0.10000E+01 0.0000 9 Ca++ 0.16993E-04 -4.7697 0.15345E-04 -4.8140 0.90300E+00 -0.0443 10 Mg++ 0.18211E-05 -5.7397 0.16443E-05 -5.7840 0.90292E+00 -0.0443 11 Fe++ 0.25795E-06 -6.5885 0.23292E-06 -6.6328 0.90294E+00 -0.0443 12 K+ 0.48815E-06 -6.3114 0.46953E-06 -6.3283 0.96185E+00 -0.0169 13 Na+ 0.16295E-03 -3.7879 0.15673E-03 -3.8049 0.96182E+00 -0.0169 14 Mn++ 0.39019E-07 -7.4087 0.35233E-07 -7.4531 0.90296E+00 -0.0443 15 HPO4-- 0.33285E-08 -8.4778 0.30060E-08 -8.5220 0.90312E+00 -0.0443 16 HSiO3- 0.12877E-06 -6.8902 0.12386E-06 -6.9071 0.96182E+00 -0.0169 17 Ca(HSiO3)+ 0.44272E-10 -10.3539 0.42583E-10 -10.3708 0.96185E+00 -0.0169 18 Mg(HSiO3)+ 0.59040E-11 -11.2289 0.56787E-11 -11.2457 0.96185E+00 -0.0169 19 NaHSiO3,aq 0.30831E-09 -9.5110 0.30831E-09 -9.5110 0.10000E+01 0.0000 20 AlO+ 0.19825E-10 -10.7028 0.19069E-10 -10.7197 0.96185E+00 -0.0169 21 AlOH+2 0.19850E-13 -13.7022 0.17924E-13 -13.7466 0.90297E+00 -0.0443 22 HAlO2,aq 0.20336E-07 -7.6917 0.20336E-07 -7.6917 0.10000E+01 0.0000 23 AlO2- 0.25161E-06 -6.5993 0.24200E-06 -6.6162 0.96179E+00 -0.0169 24 CH4,aq 0.25316E-13 -13.5966 0.25314E-13 -13.5966 0.99992E+00 0.0000 29 CO,aq 0.37355E-15 -15.4277 0.37355E-15 -15.4277 0.10000E+01 0.0000 30 CO2,aq 0.34846E-05 -5.4578 0.34843E-05 -5.4579 0.99992E+00 0.0000 31 CO3-2 0.50253E-08 -8.2988 0.45382E-08 -8.3431 0.90308E+00 -0.0443 32 CaCO3,aq 0.85291E-09 -9.0691 0.85291E-09 -9.0691 0.10000E+01 0.0000 33 Ca(HCO3)+ 0.37023E-08 -8.4315 0.35610E-08 -8.4484 0.96185E+00 -0.0169 34 CaCl+ 0.33734E-08 -8.4719 0.32447E-08 -8.4888 0.96185E+00 -0.0169 35 CaCl2,aq 0.10025E-12 -12.9989 0.10025E-12 -12.9989 0.10000E+01 0.0000 36 CaOH+ 0.59951E-08 -8.2222 0.57664E-08 -8.2391 0.96185E+00 -0.0169 37 CaSO4,aq 0.10919E-06 -6.9618 0.10919E-06 -6.9618 0.10000E+01 0.0000 38 HCl,aq 0.46835E-11 -11.3294 0.46835E-11 -11.3294 0.10000E+01 0.0000 43 FeCl+ 0.50048E-10 -10.3006 0.48138E-10 -10.3175 0.96185E+00 -0.0169 44 FeCl2,aq 0.19811E-18 -18.7031 0.19811E-18 -18.7031 0.10000E+01 0.0000 46 FeO,aq 0.26160E-09 -9.5824 0.26160E-09 -9.5824 0.10000E+01 0.0000 47 FeOH+ 0.42784E-07 -7.3687 0.41152E-07 -7.3856 0.96185E+00 -0.0169 48 HFeO2- 0.15591E-10 -10.8071 0.14995E-10 -10.8240 0.96182E+00 -0.0169 49 FeO+ 0.16137E-11 -11.7922 0.15522E-11 -11.8091 0.96185E+00 -0.0169 50 FeOH+2 0.60020E-16 -16.2217 0.54196E-16 -16.2660 0.90297E+00 -0.0443 51 FeO2- 0.90085E-11 -11.0453 0.86645E-11 -11.0623 0.96182E+00 -0.0169 52 HFeO2,aq 0.20347E-09 -9.6915 0.20347E-09 -9.6915 0.10000E+01 0.0000 53 H2,aq 0.41629E-08 -8.3806 0.41626E-08 -8.3806 0.99992E+00 0.0000 54 KCl,aq 0.11032E-11 -11.9573 0.11032E-11 -11.9573 0.10000E+01 0.0000 55 KHSO4,aq 0.53843E-17 -17.2689 0.53843E-17 -17.2689 0.10000E+01 0.0000 56 KOH,aq 0.10909E-11 -11.9622 0.10909E-11 -11.9622 0.10000E+01 0.0000 57 KSO4- 0.17176E-09 -9.7651 0.16521E-09 -9.7820 0.96182E+00 -0.0169 58 MgCO3,aq 0.22837E-10 -10.6414 0.22837E-10 -10.6414 0.10000E+01 0.0000 59 Mg(HCO3)+ 0.40455E-09 -9.3930 0.38911E-09 -9.4099 0.96185E+00 -0.0169 60 MgCl+ 0.32816E-09 -9.4839 0.31564E-09 -9.5008 0.96185E+00 -0.0169 61 MgOH+ 0.35590E-08 -8.4487 0.34232E-08 -8.4656 0.96185E+00 -0.0169 63 MnO,aq 0.10563E-11 -11.9762 0.10563E-11 -11.9762 0.10000E+01 0.0000 64 MnOH+ 0.60121E-09 -9.2210 0.57827E-09 -9.2379 0.96185E+00 -0.0169 66 HMnO2- 0.43857E-16 -16.3580 0.42182E-16 -16.3749 0.96182E+00 -0.0169 69 MnCl+ 0.29418E-10 -10.5314 0.28296E-10 -10.5483 0.96185E+00 -0.0169 70 MnSO4,aq 0.22804E-09 -9.6420 0.22804E-09 -9.6420 0.10000E+01 0.0000 71 NaCl,aq 0.67909E-08 -8.1681 0.67909E-08 -8.1681 0.10000E+01 0.0000 72 NaOH,aq 0.36702E-09 -9.4353 0.36702E-09 -9.4353 0.10000E+01 0.0000 74 OH- 0.33237E-05 -5.4784 0.31967E-05 -5.4953 0.96179E+00 -0.0169 79 HPO3-2 0.43763E-19 -19.3589 0.39522E-19 -19.4032 0.90308E+00 -0.0443 81 H2PO3- 0.15145E-19 -19.8197 0.14567E-19 -19.8366 0.96182E+00 -0.0169 82 H3PO4,aq 0.68138E-12 -12.1666 0.68138E-12 -12.1666 0.10000E+01 0.0000 83 H2PO4- 0.10281E-07 -7.9880 0.98889E-08 -8.0049 0.96184E+00 -0.0169 84 PO4-3 0.17196E-13 -13.7646 0.13990E-13 -13.8542 0.81359E+00 -0.0896 87 H2P2O7-2 0.84749E-17 -17.0719 0.76536E-17 -17.1161 0.90308E+00 -0.0443 88 HP2O7-3 0.10289E-16 -16.9876 0.83638E-17 -17.0776 0.81286E+00 -0.0900 89 P2O7-4 0.15667E-19 -19.8050 0.10996E-19 -19.9588 0.70189E+00 -0.1537 90 H2S,aq 0.36067E-07 -7.4429 0.36064E-07 -7.4429 0.99992E+00 0.0000 91 S2-2 0.23941E-16 -16.6208 0.21621E-16 -16.6651 0.90308E+00 -0.0443 96 SO2,aq 0.14024E-16 -16.8531 0.14024E-16 -16.8531 0.10000E+01 0.0000 97 SO3-2 0.14349E-13 -13.8432 0.12962E-13 -13.8873 0.90332E+00 -0.0442 98 HSO3- 0.14799E-12 -12.8298 0.14234E-12 -12.8467 0.96182E+00 -0.0169 99 HSO4- 0.41339E-08 -8.3836 0.39762E-08 -8.4005 0.96187E+00 -0.0169 101 S2O3-2 0.10749E-13 -13.9686 0.97071E-14 -14.0129 0.90308E+00 -0.0443 102 HS2O3- 0.33798E-18 -18.4711 0.32508E-18 -18.4880 0.96182E+00 -0.0169 Charge balance for all species = 0.7001E-15 Component Molality Aq.molality ppm log[A(N)/A(H+)**Z] (total) 1 H+ 0.1950675E-06 -.8514182E-06 -.8581675E-03 0.0000 2 H2O 0.1000000E+01 0.5550825E+02 0.9999850E+06 0.0000 3 Cl- 0.1379637E-03 0.1379743E-03 0.4891540E+01 2.8495 4 SO4-- 0.2528819E-04 0.2540090E-04 0.2440020E+01 8.8120 5 HCO3- 0.9575387E-05 0.1307001E-04 0.7974853E+00 1.6909 6 HS- 0.6650822E-07 0.1035894E-06 0.3425864E-02 -0.4674 7 Al+++ 0.6398125E-17 0.2719672E-06 0.7337989E-02 2.8961 8 H4SiO4 0.2382029E-04 0.2394942E-04 0.2301879E+01 -4.6231 9 Ca++ 0.1699324E-04 0.1711640E-04 0.6859824E+00 8.6393 10 Mg++ 0.1821078E-05 0.1825398E-05 0.4437852E-01 7.6693 11 Fe++ 0.2579537E-06 0.3012791E-06 0.1682532E-01 6.8205 12 K+ 0.4881492E-06 0.4883231E-06 0.1909417E-01 0.3983 13 Na+ 0.1629507E-03 0.1629582E-03 0.3746329E+01 2.9218 14 Mn++ 0.3901908E-07 0.3987880E-07 0.2190834E-02 6.0003 15 HPO4-- 0.3328463E-08 0.1361044E-07 0.1306300E-02 4.9313 Component Tot moles Aq. moles Solid moles Gas moles 1 H+ -.2504459E-04 -.8514175E-06 -.2419317E-04 0.0000000E+00 2 H2O 0.5550822E+02 0.5550821E+02 0.1579412E-04 0.0000000E+00 3 Cl- 0.1379742E-03 0.1379742E-03 0.0000000E+00 0.0000000E+00 4 SO4-- 0.2556821E-04 0.2540088E-04 0.1673301E-06 0.0000000E+00 5 HCO3- 0.1307000E-04 0.1307000E-04 0.0000000E+00 0.0000000E+00 6 HS- -.6374084E-07 0.1035893E-06 -.1673301E-06 0.0000000E+00 7 Al+++ 0.7499706E-05 0.2719670E-06 0.7227739E-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 0.3012789E-06 0.1338641E-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: 0.1694E-20 Mass of aqueous solution: 0.100001E+04 g Temperature = 100.00 C Pressure = 100.00 bar Mixer frac. = 0.0023000 Log Log Vol Gas or mineral Moles Moles Grams Grams Wt.% (cm3) diaspore 0.7228E-05 -5.141 0.4336E-03 -3.363 80.22 0.1291E-03 hematite 0.6693E-06 -6.174 0.1069E-03 -3.971 19.78 0.2026E-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 = 0.000540 g Volume = 0.000149 cm3 Porosity: 99.9851% 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: 1.0523 bar Gas Mole fraction phi Fugacity Partial P(bar) H2O,gas 0.9996E+00 0.9855 0.1037E+01 0.1052E+01 CO2,gas 0.3763E-03 1.0073 0.3988E-03 0.3959E-03 CH4,gas 0.3755E-10 1.0129 0.4003E-10 0.3952E-10 H2,gas 0.5422E-05 1.0006 0.5709E-05 0.5706E-05 H2S,gas 0.1004E-05 0.9959 0.1052E-05 0.1056E-05 S2,gas 0.1208E-20 1.0000 0.1271E-20 0.1271E-20 CO,gas 0.5605E-12 1.0000 0.5898E-12 0.5898E-12 SO3,gas 0.2857E-33 1.0000 0.3006E-33 0.3006E-33 SO2,gas 0.6170E-16 1.0000 0.6493E-16 0.6493E-16 HCl,gas 0.7858E-14 1.0000 0.8270E-14 0.8270E-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 2.90 2.90 0.00 0.000 -0.22748E-11 90 hematite 12.60 12.60 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 1.98 0.00 -1.98 -1.984 0.33882E+04 0.016 2 CO2,gas -6.36 -11.76 -5.40 -1.800 0.92190E+04 -3.399 3 CH4,gas 4.81 -7.59 -12.40 -3.099 0.21169E+05 -10.398 4 H2,gas 8.29 1.04 -7.24 -4.139 0.12368E+05 -5.243 5 H2S,gas -5.94 -13.92 -7.98 -3.989 0.13622E+05 -5.978 6 S2,gas -7.03 -29.93 -22.90 -3.522 0.39094E+05 -20.896 7 CO,gas 3.51 -10.72 -14.23 -4.378 0.24296E+05 -12.229 8 SO3,gas 17.43 -18.09 -35.52 -8.880 0.60653E+05 -33.522 9 SO2,gas 1.14 -17.05 -18.19 -4.850 0.31055E+05 -16.188 10 HCl,gas 5.48 -10.60 -16.08 -8.041 0.27460E+05 -14.083 21 andalusite 5.06 1.17 -3.89 -0.389 0.66476E+04 24 anhydrite -5.28 -9.46 -4.18 -2.088 0.71298E+04 32 apatite-OH -17.99 -22.73 -4.74 -0.365 0.80947E+04 35 aragonite 0.99 -3.12 -4.11 -1.370 0.70166E+04 36 brucite 12.58 7.67 -4.91 -0.981 0.83790E+04 37 calcite 0.83 -3.12 -3.96 -1.319 0.67552E+04 40 carpholite-Mg 8.65 4.22 -4.43 -0.296 0.75726E+04 41 carpholite-Fe 6.78 3.37 -3.42 -0.228 0.58332E+04 47 daphnite 29.09 26.03 -3.07 -0.096 0.52393E+04 50 chloritoid-Mg 13.26 8.84 -4.42 -0.295 0.75518E+04 51 chloritoid-Fe 9.24 7.99 -1.25 -0.083 0.21326E+04 52 chloritoid-Mn 11.46 7.17 -4.29 -0.286 0.73315E+04 54 coesite -2.37 -4.62 -2.25 -0.751 0.38481E+04 59 corundum 8.43 5.79 -2.64 -0.240 0.45099E+04 61 cristobalite -2.55 -4.62 -2.07 -0.691 0.35410E+04 83 gibbsite 4.10 2.90 -1.20 -0.172 0.20512E+04 87 greenalite 16.19 11.22 -4.98 -0.415 0.85009E+04 92 hercynite 17.34 12.61 -4.73 -0.315 0.80794E+04 98 kaolinite -1.27 -3.45 -2.18 -0.198 0.37236E+04 99 kyanite 4.93 1.17 -3.76 -0.376 0.64244E+04 102 lawsonite 9.68 5.19 -4.49 -0.300 0.76717E+04 106 magnesite 0.71 -4.09 -4.80 -1.601 0.81999E+04 107 magnetite 20.13 19.42 -0.71 -0.058 0.12202E+04 128 periclase-Fe 11.64 6.82 -4.82 -1.205 0.82276E+04 142 pyrite -21.23 -22.06 -0.84 -0.197 0.14326E+04 143 pyrrhotite -4.24 -7.10 -2.86 -0.952 0.48776E+04 144 pyrrhotiteFe0.875 -6.00 -8.08 -2.08 -0.765 0.35535E+04 147 quartz -2.98 -4.62 -1.64 -0.547 0.28021E+04 152 rhodochrosite -0.96 -5.76 -4.80 -1.601 0.82020E+04 156 siderite -2.59 -4.94 -2.35 -0.785 0.40197E+04 157 sillimanite 5.32 1.17 -4.15 -0.415 0.70898E+04 178 topaz-H 4.67 1.17 -3.50 -0.318 0.59735E+04 179 tridymite -2.61 -4.62 -2.01 -0.669 0.34293E+04 182 troilite-low -4.39 -7.10 -2.71 -0.902 0.46207E+04 193 akaganeite 7.77 6.30 -1.47 -0.318 0.25082E+04 200 chalcedony -2.79 -4.62 -1.83 -0.610 0.31224E+04 215 gypsum -4.92 -9.46 -4.53 -1.133 0.77365E+04 234 boehmite 4.43 2.90 -1.53 -0.256 0.26184E+04 236 ferrous-oxide 9.82 6.82 -3.00 -0.751 0.51287E+04 241 silica-amorphous -2.08 -4.62 -2.54 -0.848 0.43426E+04 Calculations done for 100.0000 Deg. C; 100.0000 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 = 100.00 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 = .2483902E-03 Osmotic coef. = 0.9905 True ionic strength = .2469409E-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+ 0.18127E-06 -6.7417 0.17437E-06 -6.7585 0.96190E+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 0.96179E+00 -0.0169 4 SO4-- 0.25278E-04 -4.5973 0.22826E-04 -4.6416 0.90303E+00 -0.0443 5 HCO3- 0.97591E-05 -5.0106 0.93865E-05 -5.0275 0.96182E+00 -0.0169 6 HS- 0.74898E-07 -7.1255 0.72037E-07 -7.1424 0.96180E+00 -0.0169 7 Al+++ 0.51353E-17 -17.2894 0.41733E-17 -17.3795 0.81267E+00 -0.0901 8 H4SiO4 0.24846E-04 -4.6047 0.24846E-04 -4.6047 0.10000E+01 0.0000 9 Ca++ 0.17107E-04 -4.7668 0.15446E-04 -4.8112 0.90291E+00 -0.0444 10 Mg++ 0.19000E-05 -5.7213 0.17153E-05 -5.7656 0.90283E+00 -0.0444 11 Fe++ 0.22820E-06 -6.6417 0.20603E-06 -6.6861 0.90285E+00 -0.0444 12 K+ 0.50937E-06 -6.2930 0.48993E-06 -6.3099 0.96183E+00 -0.0169 13 Na+ 0.16308E-03 -3.7876 0.15685E-03 -3.8045 0.96179E+00 -0.0169 14 Mn++ 0.40669E-07 -7.3907 0.36718E-07 -7.4351 0.90286E+00 -0.0444 15 HPO4-- 0.36695E-08 -8.4354 0.33136E-08 -8.4797 0.90303E+00 -0.0443 16 HSiO3- 0.14455E-06 -6.8400 0.13902E-06 -6.8569 0.96179E+00 -0.0169 17 Ca(HSiO3)+ 0.50021E-10 -10.3008 0.48112E-10 -10.3177 0.96183E+00 -0.0169 18 Mg(HSiO3)+ 0.69134E-11 -11.1603 0.66495E-11 -11.1772 0.96183E+00 -0.0169 19 NaHSiO3,aq 0.34632E-09 -9.4605 0.34632E-09 -9.4605 0.10000E+01 0.0000 20 AlO+ 0.18423E-10 -10.7346 0.17720E-10 -10.7515 0.96183E+00 -0.0169 21 AlOH+2 0.17143E-13 -13.7659 0.15478E-13 -13.8103 0.90288E+00 -0.0444 22 HAlO2,aq 0.20336E-07 -7.6917 0.20336E-07 -7.6917 0.10000E+01 0.0000 23 AlO2- 0.27077E-06 -6.5674 0.26042E-06 -6.5843 0.96176E+00 -0.0169 24 CH4,aq 0.29070E-13 -13.5366 0.29067E-13 -13.5366 0.99992E+00 0.0000 29 CO,aq 0.37123E-15 -15.4304 0.37123E-15 -15.4304 0.10000E+01 0.0000 30 CO2,aq 0.33002E-05 -5.4815 0.32999E-05 -5.4815 0.99992E+00 0.0000 31 CO3-2 0.55120E-08 -8.2587 0.49773E-08 -8.3030 0.90299E+00 -0.0443 32 CaCO3,aq 0.94158E-09 -9.0261 0.94158E-09 -9.0261 0.10000E+01 0.0000 33 Ca(HCO3)+ 0.37981E-08 -8.4204 0.36532E-08 -8.4373 0.96183E+00 -0.0169 34 CaCl+ 0.33956E-08 -8.4691 0.32660E-08 -8.4860 0.96183E+00 -0.0169 35 CaCl2,aq 0.10090E-12 -12.9961 0.10090E-12 -12.9961 0.10000E+01 0.0000 36 CaOH+ 0.64941E-08 -8.1875 0.62462E-08 -8.2044 0.96183E+00 -0.0169 37 CaSO4,aq 0.10985E-06 -6.9592 0.10985E-06 -6.9592 0.10000E+01 0.0000 38 HCl,aq 0.43521E-11 -11.3613 0.43521E-11 -11.3613 0.10000E+01 0.0000 43 FeCl+ 0.44271E-10 -10.3539 0.42581E-10 -10.3708 0.96183E+00 -0.0169 44 FeCl2,aq 0.17524E-18 -18.7564 0.17524E-18 -18.7564 0.10000E+01 0.0000 46 FeO,aq 0.26797E-09 -9.5719 0.26797E-09 -9.5719 0.10000E+01 0.0000 47 FeOH+ 0.40728E-07 -7.3901 0.39173E-07 -7.4070 0.96183E+00 -0.0169 48 HFeO2- 0.17187E-10 -10.7648 0.16530E-10 -10.7817 0.96179E+00 -0.0169 49 FeO+ 0.14996E-11 -11.8240 0.14424E-11 -11.8409 0.96183E+00 -0.0169 50 FeOH+2 0.51834E-16 -16.2854 0.46800E-16 -16.3298 0.90288E+00 -0.0444 51 FeO2- 0.96944E-11 -11.0135 0.93241E-11 -11.0304 0.96179E+00 -0.0169 52 HFeO2,aq 0.20347E-09 -9.6915 0.20347E-09 -9.6915 0.10000E+01 0.0000 53 H2,aq 0.43683E-08 -8.3597 0.43679E-08 -8.3597 0.99992E+00 0.0000 54 KCl,aq 0.11511E-11 -11.9389 0.11511E-11 -11.9389 0.10000E+01 0.0000 55 KHSO4,aq 0.52181E-17 -17.2825 0.52181E-17 -17.2825 0.10000E+01 0.0000 56 KOH,aq 0.12249E-11 -11.9119 0.12249E-11 -11.9119 0.10000E+01 0.0000 57 KSO4- 0.17914E-09 -9.7468 0.17229E-09 -9.7637 0.96179E+00 -0.0169 58 MgCO3,aq 0.26129E-10 -10.5829 0.26129E-10 -10.5829 0.10000E+01 0.0000 59 Mg(HCO3)+ 0.43012E-09 -9.3664 0.41371E-09 -9.3833 0.96183E+00 -0.0169 60 MgCl+ 0.34233E-09 -9.4655 0.32927E-09 -9.4825 0.96183E+00 -0.0169 61 MgOH+ 0.39955E-08 -8.3984 0.38430E-08 -8.4153 0.96183E+00 -0.0169 63 MnO,aq 0.12749E-11 -11.8945 0.12749E-11 -11.8945 0.10000E+01 0.0000 64 MnOH+ 0.67428E-09 -9.1712 0.64854E-09 -9.1881 0.96183E+00 -0.0169 66 HMnO2- 0.56961E-16 -16.2444 0.54784E-16 -16.2613 0.96179E+00 -0.0169 69 MnCl+ 0.30659E-10 -10.5134 0.29488E-10 -10.5304 0.96183E+00 -0.0169 70 MnSO4,aq 0.23753E-09 -9.6243 0.23753E-09 -9.6243 0.10000E+01 0.0000 71 NaCl,aq 0.67957E-08 -8.1678 0.67957E-08 -8.1678 0.10000E+01 0.0000 72 NaOH,aq 0.39525E-09 -9.4031 0.39525E-09 -9.4031 0.10000E+01 0.0000 74 OH- 0.35768E-05 -5.4465 0.34401E-05 -5.4634 0.96176E+00 -0.0169 79 HPO3-2 0.50627E-19 -19.2956 0.45716E-19 -19.3399 0.90299E+00 -0.0443 81 H2PO3- 0.16280E-19 -19.7883 0.15658E-19 -19.8053 0.96179E+00 -0.0169 82 H3PO4,aq 0.64861E-12 -12.1880 0.64861E-12 -12.1880 0.10000E+01 0.0000 83 H2PO4- 0.10532E-07 -7.9775 0.10130E-07 -7.9944 0.96181E+00 -0.0169 84 PO4-3 0.20403E-13 -13.6903 0.16596E-13 -13.7800 0.81340E+00 -0.0897 87 H2P2O7-2 0.88938E-17 -17.0509 0.80311E-17 -17.0952 0.90299E+00 -0.0443 88 HP2O7-3 0.11621E-16 -16.9347 0.94444E-17 -17.0248 0.81267E+00 -0.0901 89 P2O7-4 0.19045E-19 -19.7202 0.13362E-19 -19.8741 0.70160E+00 -0.1539 90 H2S,aq 0.37743E-07 -7.4232 0.37740E-07 -7.4232 0.99992E+00 0.0000 91 S2-2 0.28936E-16 -16.5386 0.26129E-16 -16.5829 0.90299E+00 -0.0443 96 SO2,aq 0.12701E-16 -16.8962 0.12701E-16 -16.8962 0.10000E+01 0.0000 97 SO3-2 0.15051E-13 -13.8224 0.13595E-13 -13.8666 0.90323E+00 -0.0442 98 HSO3- 0.14423E-12 -12.8409 0.13872E-12 -12.8579 0.96179E+00 -0.0169 99 HSO4- 0.38396E-08 -8.4157 0.36931E-08 -8.4326 0.96184E+00 -0.0169 101 S2O3-2 0.11244E-13 -13.9491 0.10153E-13 -13.9934 0.90299E+00 -0.0443 102 HS2O3- 0.32850E-18 -18.4835 0.31595E-18 -18.5004 0.96179E+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+ 0.1812737E-06 -.1393203E-05 -.1404247E-02 0.0000 2 H2O 0.1000000E+01 0.5550825E+02 0.9999849E+06 0.0000 3 Cl- 0.1379637E-03 0.1379743E-03 0.4891540E+01 2.8814 4 SO4-- 0.2527774E-04 0.2539079E-04 0.2439048E+01 8.8755 5 HCO3- 0.9759127E-05 0.1307001E-04 0.7974852E+00 1.7310 6 HS- 0.7489799E-07 0.1137061E-06 0.3760439E-02 -0.3839 7 Al+++ 0.5135343E-17 0.2911257E-06 0.7854908E-02 2.8961 8 H4SiO4 0.2484575E-04 0.2499070E-04 0.2401960E+01 -4.6047 9 Ca++ 0.1710688E-04 0.1723142E-04 0.6905919E+00 8.7059 10 Mg++ 0.1899963E-05 0.1904764E-05 0.4630802E-01 7.7514 11 Fe++ 0.2282037E-06 0.2694756E-06 0.1504921E-01 6.8310 12 K+ 0.5093731E-06 0.5095546E-06 0.1992435E-01 0.4487 13 Na+ 0.1630762E-03 0.1630837E-03 0.3749214E+01 2.9540 14 Mn++ 0.4066892E-07 0.4161267E-07 0.2286087E-02 6.0820 15 HPO4-- 0.3669476E-08 0.1420220E-07 0.1363095E-02 5.0374 Component Tot moles Aq. moles Solid moles Gas moles 1 H+ -.2670044E-04 -.1393201E-05 -.2530724E-04 0.0000000E+00 2 H2O 0.5550822E+02 0.5550820E+02 0.1651105E-04 0.0000000E+00 3 Cl- 0.1379742E-03 0.1379742E-03 0.0000000E+00 0.0000000E+00 4 SO4-- 0.2557098E-04 0.2539076E-04 0.1802182E-06 0.0000000E+00 5 HCO3- 0.1307000E-04 0.1307000E-04 0.0000000E+00 0.0000000E+00 6 HS- -.6651218E-07 0.1137060E-06 -.1802182E-06 0.0000000E+00 7 Al+++ 0.7825780E-05 0.2911255E-06 0.7534654E-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 0.2694753E-06 0.1441745E-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: -.2541E-20 Mass of aqueous solution: 0.100001E+04 g Temperature = 100.00 C Pressure = 100.00 bar Mixer frac. = 0.0024000 Log Log Vol Gas or mineral Moles Moles Grams Grams Wt.% (cm3) diaspore 0.7535E-05 -5.123 0.4520E-03 -3.345 79.70 0.1346E-03 hematite 0.7209E-06 -6.142 0.1151E-03 -3.939 20.30 0.2182E-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 = 0.000567 g Volume = 0.000156 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: 1.0523 bar Gas Mole fraction phi Fugacity Partial P(bar) H2O,gas 0.9996E+00 0.9855 0.1037E+01 0.1052E+01 CO2,gas 0.3563E-03 1.0073 0.3777E-03 0.3750E-03 CH4,gas 0.4312E-10 1.0129 0.4597E-10 0.4538E-10 H2,gas 0.5690E-05 1.0006 0.5991E-05 0.5988E-05 H2S,gas 0.1050E-05 0.9959 0.1101E-05 0.1105E-05 S2,gas 0.1201E-20 1.0000 0.1264E-20 0.1264E-20 CO,gas 0.5570E-12 1.0000 0.5862E-12 0.5862E-12 SO3,gas 0.2466E-33 1.0000 0.2595E-33 0.2595E-33 SO2,gas 0.5588E-16 1.0000 0.5880E-16 0.5880E-16 HCl,gas 0.7302E-14 1.0000 0.7684E-14 0.7684E-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 2.90 2.90 0.00 0.000 -0.22748E-11 90 hematite 12.60 12.60 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 1.98 0.00 -1.98 -1.984 0.33882E+04 0.016 2 CO2,gas -6.36 -11.79 -5.42 -1.808 0.92593E+04 -3.423 3 CH4,gas 4.81 -7.53 -12.34 -3.084 0.21066E+05 -10.338 4 H2,gas 8.29 1.06 -7.22 -4.127 0.12332E+05 -5.223 5 H2S,gas -5.94 -13.90 -7.96 -3.979 0.13589E+05 -5.958 6 S2,gas -7.03 -29.93 -22.90 -3.523 0.39098E+05 -20.898 7 CO,gas 3.51 -10.72 -14.23 -4.379 0.24301E+05 -12.232 8 SO3,gas 17.43 -18.16 -35.59 -8.896 0.60762E+05 -33.586 9 SO2,gas 1.14 -17.09 -18.23 -4.861 0.31128E+05 -16.231 10 HCl,gas 5.48 -10.64 -16.11 -8.057 0.27515E+05 -14.114 21 andalusite 5.06 1.19 -3.87 -0.387 0.66164E+04 24 anhydrite -5.28 -9.45 -4.17 -2.087 0.71253E+04 32 apatite-OH -17.99 -22.46 -4.47 -0.344 0.76360E+04 35 aragonite 0.99 -3.08 -4.07 -1.355 0.69432E+04 36 brucite 12.58 7.75 -4.83 -0.965 0.82389E+04 37 calcite 0.83 -3.08 -3.91 -1.304 0.66819E+04 40 carpholite-Mg 8.65 4.33 -4.32 -0.288 0.73699E+04 41 carpholite-Fe 6.78 3.41 -3.37 -0.225 0.57528E+04 47 daphnite 29.09 26.13 -2.96 -0.093 0.50563E+04 50 chloritoid-Mg 13.26 8.94 -4.32 -0.288 0.73804E+04 51 chloritoid-Fe 9.24 8.02 -1.22 -0.081 0.20835E+04 52 chloritoid-Mn 11.46 7.27 -4.19 -0.280 0.71608E+04 54 coesite -2.37 -4.60 -2.24 -0.745 0.38169E+04 59 corundum 8.43 5.79 -2.64 -0.240 0.45099E+04 61 cristobalite -2.55 -4.60 -2.06 -0.685 0.35098E+04 83 gibbsite 4.10 2.90 -1.20 -0.172 0.20512E+04 87 greenalite 16.19 11.28 -4.91 -0.409 0.83848E+04 92 hercynite 17.34 12.62 -4.72 -0.315 0.80615E+04 98 kaolinite -1.27 -3.42 -2.14 -0.195 0.36611E+04 99 kyanite 4.93 1.19 -3.74 -0.374 0.63931E+04 102 lawsonite 9.68 5.29 -4.39 -0.293 0.74955E+04 106 magnesite 0.71 -4.03 -4.74 -1.581 0.81001E+04 107 magnetite 20.13 19.43 -0.70 -0.057 0.12023E+04 128 periclase-Fe 11.64 6.83 -4.81 -1.202 0.82098E+04 142 pyrite -21.23 -22.04 -0.81 -0.191 0.13831E+04 143 pyrrhotite -4.24 -7.07 -2.83 -0.942 0.48260E+04 144 pyrrhotiteFe0.875 -6.00 -8.06 -2.05 -0.756 0.35086E+04 147 quartz -2.98 -4.60 -1.62 -0.541 0.27708E+04 152 rhodochrosite -0.96 -5.70 -4.75 -1.582 0.81029E+04 156 siderite -2.59 -4.96 -2.37 -0.789 0.40422E+04 157 sillimanite 5.32 1.19 -4.13 -0.413 0.70585E+04 178 topaz-H 4.67 1.19 -3.48 -0.316 0.59422E+04 179 tridymite -2.61 -4.60 -1.99 -0.663 0.33981E+04 182 troilite-low -4.39 -7.07 -2.68 -0.892 0.45692E+04 193 akaganeite 7.77 6.30 -1.47 -0.318 0.25082E+04 200 chalcedony -2.79 -4.60 -1.81 -0.603 0.30911E+04 215 gypsum -4.92 -9.45 -4.53 -1.132 0.77320E+04 234 boehmite 4.43 2.90 -1.53 -0.256 0.26184E+04 236 ferrous-oxide 9.82 6.83 -2.99 -0.748 0.51108E+04 241 silica-amorphous -2.08 -4.60 -2.52 -0.842 0.43113E+04 Calculations done for 100.0000 Deg. C; 100.0000 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 = 100.00 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 = .2488774E-03 Osmotic coef. = 0.9905 True ionic strength = .2475688E-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+ 0.16867E-06 -6.7730 0.16224E-06 -6.7899 0.96188E+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 0.96177E+00 -0.0169 4 SO4-- 0.25268E-04 -4.5974 0.22815E-04 -4.6418 0.90293E+00 -0.0443 5 HCO3- 0.99333E-05 -5.0029 0.95538E-05 -5.0198 0.96180E+00 -0.0169 6 HS- 0.83230E-07 -7.0797 0.80048E-07 -7.0966 0.96177E+00 -0.0169 7 Al+++ 0.41373E-17 -17.3833 0.33615E-17 -17.4735 0.81248E+00 -0.0902 8 H4SiO4 0.25870E-04 -4.5872 0.25870E-04 -4.5872 0.10000E+01 0.0000 9 Ca++ 0.17220E-04 -4.7640 0.15547E-04 -4.8084 0.90281E+00 -0.0444 10 Mg++ 0.19788E-05 -5.7036 0.17863E-05 -5.7480 0.90274E+00 -0.0444 11 Fe++ 0.20202E-06 -6.6946 0.18238E-06 -6.7390 0.90275E+00 -0.0444 12 K+ 0.53060E-06 -6.2752 0.51033E-06 -6.2922 0.96180E+00 -0.0169 13 Na+ 0.16320E-03 -3.7873 0.15696E-03 -3.8042 0.96177E+00 -0.0169 14 Mn++ 0.42312E-07 -7.3735 0.38198E-07 -7.4180 0.90277E+00 -0.0444 15 HPO4-- 0.40306E-08 -8.3946 0.36393E-08 -8.4390 0.90293E+00 -0.0443 16 HSiO3- 0.16176E-06 -6.7911 0.15558E-06 -6.8081 0.96177E+00 -0.0169 17 Ca(HSiO3)+ 0.56345E-10 -10.2491 0.54192E-10 -10.2661 0.96180E+00 -0.0169 18 Mg(HSiO3)+ 0.80570E-11 -11.0938 0.77493E-11 -11.1107 0.96180E+00 -0.0169 19 NaHSiO3,aq 0.38784E-09 -9.4113 0.38784E-09 -9.4113 0.10000E+01 0.0000 20 AlO+ 0.17142E-10 -10.7659 0.16487E-10 -10.7829 0.96180E+00 -0.0169 21 AlOH+2 0.14842E-13 -13.8285 0.13399E-13 -13.8729 0.90278E+00 -0.0444 22 HAlO2,aq 0.20336E-07 -7.6917 0.20336E-07 -7.6917 0.10000E+01 0.0000 23 AlO2- 0.29103E-06 -6.5361 0.27989E-06 -6.5530 0.96174E+00 -0.0169 24 CH4,aq 0.32894E-13 -13.4829 0.32892E-13 -13.4829 0.99992E+00 0.0000 29 CO,aq 0.36756E-15 -15.4347 0.36756E-15 -15.4347 0.10000E+01 0.0000 30 CO2,aq 0.31253E-05 -5.5051 0.31251E-05 -5.5051 0.99992E+00 0.0000 31 CO3-2 0.60303E-08 -8.2197 0.54448E-08 -8.2640 0.90290E+00 -0.0444 32 CaCO3,aq 0.10367E-08 -8.9843 0.10367E-08 -8.9843 0.10000E+01 0.0000 33 Ca(HCO3)+ 0.38912E-08 -8.4099 0.37426E-08 -8.4268 0.96180E+00 -0.0169 34 CaCl+ 0.34178E-08 -8.4663 0.32872E-08 -8.4832 0.96180E+00 -0.0169 35 CaCl2,aq 0.10156E-12 -12.9933 0.10156E-12 -12.9933 0.10000E+01 0.0000 36 CaOH+ 0.70255E-08 -8.1533 0.67571E-08 -8.1702 0.96180E+00 -0.0169 37 CaSO4,aq 0.11052E-06 -6.9566 0.11052E-06 -6.9566 0.10000E+01 0.0000 38 HCl,aq 0.40492E-11 -11.3926 0.40492E-11 -11.3926 0.10000E+01 0.0000 43 FeCl+ 0.39188E-10 -10.4068 0.37691E-10 -10.4238 0.96180E+00 -0.0169 44 FeCl2,aq 0.15511E-18 -18.8094 0.15511E-18 -18.8094 0.10000E+01 0.0000 46 FeO,aq 0.27400E-09 -9.5622 0.27400E-09 -9.5622 0.10000E+01 0.0000 47 FeOH+ 0.38748E-07 -7.4117 0.37268E-07 -7.4287 0.96180E+00 -0.0169 48 HFeO2- 0.18888E-10 -10.7238 0.18166E-10 -10.7407 0.96177E+00 -0.0169 49 FeO+ 0.13953E-11 -11.8553 0.13420E-11 -11.8722 0.96180E+00 -0.0169 50 FeOH+2 0.44878E-16 -16.3480 0.40515E-16 -16.3924 0.90278E+00 -0.0444 51 FeO2- 0.10420E-10 -10.9821 0.10021E-10 -10.9991 0.96177E+00 -0.0169 52 HFeO2,aq 0.20347E-09 -9.6915 0.20347E-09 -9.6915 0.10000E+01 0.0000 53 H2,aq 0.45671E-08 -8.3404 0.45668E-08 -8.3404 0.99992E+00 0.0000 54 KCl,aq 0.11990E-11 -11.9212 0.11990E-11 -11.9212 0.10000E+01 0.0000 55 KHSO4,aq 0.50547E-17 -17.2963 0.50547E-17 -17.2963 0.10000E+01 0.0000 56 KOH,aq 0.13713E-11 -11.8629 0.13713E-11 -11.8629 0.10000E+01 0.0000 57 KSO4- 0.18651E-09 -9.7293 0.17938E-09 -9.7462 0.96177E+00 -0.0169 58 MgCO3,aq 0.29766E-10 -10.5263 0.29766E-10 -10.5263 0.10000E+01 0.0000 59 Mg(HCO3)+ 0.45592E-09 -9.3411 0.43851E-09 -9.3580 0.96180E+00 -0.0169 60 MgCl+ 0.35650E-09 -9.4479 0.34289E-09 -9.4648 0.96180E+00 -0.0169 61 MgOH+ 0.44721E-08 -8.3495 0.43013E-08 -8.3664 0.96180E+00 -0.0169 63 MnO,aq 0.15320E-11 -11.8147 0.15320E-11 -11.8147 0.10000E+01 0.0000 64 MnOH+ 0.75392E-09 -9.1227 0.72512E-09 -9.1396 0.96180E+00 -0.0169 66 HMnO2- 0.73569E-16 -16.1333 0.70756E-16 -16.1502 0.96177E+00 -0.0169 69 MnCl+ 0.31894E-10 -10.4963 0.30676E-10 -10.5132 0.96180E+00 -0.0169 70 MnSO4,aq 0.24698E-09 -9.6073 0.24698E-09 -9.6073 0.10000E+01 0.0000 71 NaCl,aq 0.68006E-08 -8.1675 0.68006E-08 -8.1675 0.10000E+01 0.0000 72 NaOH,aq 0.42512E-09 -9.3715 0.42512E-09 -9.3715 0.10000E+01 0.0000 74 OH- 0.38444E-05 -5.4152 0.36973E-05 -5.4321 0.96174E+00 -0.0169 79 HPO3-2 0.58141E-19 -19.2355 0.52495E-19 -19.2799 0.90290E+00 -0.0444 81 H2PO3- 0.17394E-19 -19.7596 0.16729E-19 -19.7765 0.96177E+00 -0.0169 82 H3PO4,aq 0.61669E-12 -12.2099 0.61669E-12 -12.2099 0.10000E+01 0.0000 83 H2PO4- 0.10763E-07 -7.9681 0.10351E-07 -7.9850 0.96179E+00 -0.0169 84 PO4-3 0.24090E-13 -13.6182 0.19590E-13 -13.7080 0.81321E+00 -0.0898 87 H2P2O7-2 0.92882E-17 -17.0321 0.83863E-17 -17.0764 0.90290E+00 -0.0444 88 HP2O7-3 0.13046E-16 -16.8845 0.10600E-16 -16.9747 0.81248E+00 -0.0902 89 P2O7-4 0.22983E-19 -19.6386 0.16118E-19 -19.7927 0.70131E+00 -0.1541 90 H2S,aq 0.39022E-07 -7.4087 0.39019E-07 -7.4087 0.99992E+00 0.0000 91 S2-2 0.34178E-16 -16.4662 0.30859E-16 -16.5106 0.90290E+00 -0.0444 96 SO2,aq 0.11490E-16 -16.9397 0.11490E-16 -16.9397 0.10000E+01 0.0000 97 SO3-2 0.15730E-13 -13.8033 0.14206E-13 -13.8475 0.90314E+00 -0.0442 98 HSO3- 0.14024E-12 -12.8531 0.13488E-12 -12.8701 0.96177E+00 -0.0169 99 HSO4- 0.35707E-08 -8.4472 0.34344E-08 -8.4641 0.96182E+00 -0.0169 101 S2O3-2 0.11620E-13 -13.9348 0.10492E-13 -13.9791 0.90290E+00 -0.0444 102 HS2O3- 0.31586E-18 -18.5005 0.30379E-18 -18.5174 0.96177E+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+ 0.1686667E-06 -.1945107E-05 -.1960526E-02 0.0000 2 H2O 0.1000000E+01 0.5550825E+02 0.9999848E+06 0.0000 3 Cl- 0.1379637E-03 0.1379743E-03 0.4891540E+01 2.9127 4 SO4-- 0.2526772E-04 0.2538113E-04 0.2438120E+01 8.9379 5 HCO3- 0.9933276E-05 0.1307001E-04 0.7974852E+00 1.7700 6 HS- 0.8322965E-07 0.1233670E-06 0.4079939E-02 -0.3068 7 Al+++ 0.4137342E-17 0.3113785E-06 0.8401350E-02 2.8961 8 H4SiO4 0.2586977E-04 0.2603198E-04 0.2502042E+01 -4.5872 9 Ca++ 0.1722049E-04 0.1734643E-04 0.6952013E+00 8.7713 10 Mg++ 0.1978806E-05 0.1984129E-05 0.4823751E-01 7.8317 11 Fe++ 0.2020231E-06 0.2413187E-06 0.1347675E-01 6.8407 12 K+ 0.5305970E-06 0.5307860E-06 0.2075453E-01 0.4977 13 Na+ 0.1632016E-03 0.1632093E-03 0.3752099E+01 2.9856 14 Mn++ 0.4231220E-07 0.4334653E-07 0.2381341E-02 6.1617 15 HPO4-- 0.4030559E-08 0.1479395E-07 0.1419891E-02 5.1407 Component Tot moles Aq. moles Solid moles Gas moles 1 H+ -.2835629E-04 -.1945105E-05 -.2641118E-04 0.0000000E+00 2 H2O 0.5550822E+02 0.5550820E+02 0.1722215E-04 0.0000000E+00 3 Cl- 0.1379742E-03 0.1379742E-03 0.0000000E+00 0.0000000E+00 4 SO4-- 0.2557375E-04 0.2538110E-04 0.1926504E-06 0.0000000E+00 5 HCO3- 0.1307000E-04 0.1307000E-04 0.0000000E+00 0.0000000E+00 6 HS- -.6928352E-07 0.1233669E-06 -.1926504E-06 0.0000000E+00 7 Al+++ 0.8151854E-05 0.3113782E-06 0.7840476E-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 0.2413184E-06 0.1541203E-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: -.1271E-20 Mass of aqueous solution: 0.100001E+04 g Temperature = 100.00 C Pressure = 100.00 bar Mixer frac. = 0.0025000 Log Log Vol Gas or mineral Moles Moles Grams Grams Wt.% (cm3) diaspore 0.7840E-05 -5.106 0.4704E-03 -3.328 79.26 0.1400E-03 hematite 0.7706E-06 -6.113 0.1231E-03 -3.910 20.74 0.2333E-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 = 0.000593 g Volume = 0.000163 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: 1.0523 bar Gas Mole fraction phi Fugacity Partial P(bar) H2O,gas 0.9997E+00 0.9855 0.1037E+01 0.1052E+01 CO2,gas 0.3375E-03 1.0073 0.3577E-03 0.3551E-03 CH4,gas 0.4880E-10 1.0129 0.5201E-10 0.5135E-10 H2,gas 0.5949E-05 1.0006 0.6264E-05 0.6260E-05 H2S,gas 0.1086E-05 0.9959 0.1138E-05 0.1143E-05 S2,gas 0.1175E-20 1.0000 0.1236E-20 0.1236E-20 CO,gas 0.5515E-12 1.0000 0.5804E-12 0.5804E-12 SO3,gas 0.2133E-33 1.0000 0.2245E-33 0.2245E-33 SO2,gas 0.5055E-16 1.0000 0.5320E-16 0.5320E-16 HCl,gas 0.6794E-14 1.0000 0.7150E-14 0.7150E-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 2.90 2.90 0.00 0.000 0.37914E-11 90 hematite 12.60 12.60 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 1.98 0.00 -1.98 -1.984 0.33882E+04 0.016 2 CO2,gas -6.36 -11.81 -5.45 -1.815 0.92997E+04 -3.446 3 CH4,gas 4.81 -7.47 -12.28 -3.071 0.20974E+05 -10.284 4 H2,gas 8.29 1.08 -7.20 -4.116 0.12299E+05 -5.203 5 H2S,gas -5.94 -13.89 -7.94 -3.972 0.13564E+05 -5.944 6 S2,gas -7.03 -29.94 -22.91 -3.524 0.39115E+05 -20.908 7 CO,gas 3.51 -10.73 -14.24 -4.380 0.24308E+05 -12.236 8 SO3,gas 17.43 -18.22 -35.65 -8.912 0.60869E+05 -33.649 9 SO2,gas 1.14 -17.14 -18.27 -4.873 0.31203E+05 -16.274 10 HCl,gas 5.48 -10.67 -16.15 -8.073 0.27568E+05 -14.146 21 andalusite 5.06 1.20 -3.86 -0.386 0.65864E+04 24 anhydrite -5.28 -9.45 -4.17 -2.085 0.71208E+04 32 apatite-OH -17.99 -22.20 -4.21 -0.324 0.71894E+04 35 aragonite 0.99 -3.04 -4.02 -1.342 0.68718E+04 36 brucite 12.58 7.83 -4.74 -0.949 0.81018E+04 37 calcite 0.83 -3.04 -3.87 -1.290 0.66105E+04 40 carpholite-Mg 8.65 4.45 -4.20 -0.280 0.71730E+04 41 carpholite-Fe 6.78 3.46 -3.32 -0.222 0.56764E+04 47 daphnite 29.09 26.23 -2.86 -0.089 0.48839E+04 50 chloritoid-Mg 13.26 9.04 -4.22 -0.282 0.72134E+04 51 chloritoid-Fe 9.24 8.05 -1.19 -0.080 0.20371E+04 52 chloritoid-Mn 11.46 7.37 -4.10 -0.273 0.69947E+04 54 coesite -2.37 -4.59 -2.22 -0.739 0.37869E+04 59 corundum 8.43 5.79 -2.64 -0.240 0.45099E+04 61 cristobalite -2.55 -4.59 -2.04 -0.679 0.34798E+04 78 fayalite 14.08 9.09 -4.98 -0.712 0.85114E+04 83 gibbsite 4.10 2.90 -1.20 -0.172 0.20512E+04 87 greenalite 16.19 11.35 -4.85 -0.404 0.82754E+04 92 hercynite 17.34 12.63 -4.71 -0.314 0.80450E+04 98 kaolinite -1.27 -3.38 -2.11 -0.192 0.36012E+04 99 kyanite 4.93 1.20 -3.73 -0.373 0.63632E+04 102 lawsonite 9.68 5.39 -4.29 -0.286 0.73238E+04 106 magnesite 0.71 -3.98 -4.69 -1.562 0.80035E+04 107 magnetite 20.13 19.44 -0.69 -0.057 0.11858E+04 128 periclase-Fe 11.64 6.84 -4.80 -1.200 0.81932E+04 142 pyrite -21.23 -22.02 -0.79 -0.186 0.13501E+04 143 pyrrhotite -4.24 -7.05 -2.80 -0.934 0.47848E+04 144 pyrrhotiteFe0.875 -6.00 -8.04 -2.03 -0.748 0.34735E+04 147 quartz -2.98 -4.59 -1.61 -0.535 0.27409E+04 152 rhodochrosite -0.96 -5.65 -4.69 -1.563 0.80070E+04 156 siderite -2.59 -4.97 -2.38 -0.794 0.40661E+04 157 sillimanite 5.32 1.20 -4.12 -0.412 0.70286E+04 178 topaz-H 4.67 1.20 -3.46 -0.315 0.59123E+04 179 tridymite -2.61 -4.59 -1.97 -0.658 0.33681E+04 182 troilite-low -4.39 -7.05 -2.65 -0.884 0.45280E+04 193 akaganeite 7.77 6.30 -1.47 -0.318 0.25082E+04 200 chalcedony -2.79 -4.59 -1.79 -0.598 0.30612E+04 215 gypsum -4.92 -9.45 -4.53 -1.131 0.77276E+04 234 boehmite 4.43 2.90 -1.53 -0.256 0.26184E+04 236 ferrous-oxide 9.82 6.84 -2.98 -0.746 0.50943E+04 241 silica-amorphous -2.08 -4.59 -2.51 -0.836 0.42814E+04 Calculations done for 100.0000 Deg. C; 100.0000 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 = 100.00 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 = .2493766E-03 Osmotic coef. = 0.9905 True ionic strength = .2482080E-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+ 0.15716E-06 -6.8036 0.15117E-06 -6.8205 0.96185E+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 0.96174E+00 -0.0169 4 SO4-- 0.25258E-04 -4.5976 0.22804E-04 -4.6420 0.90284E+00 -0.0444 5 HCO3- 0.10098E-04 -4.9958 0.97116E-05 -5.0127 0.96177E+00 -0.0169 6 HS- 0.91483E-07 -7.0387 0.87983E-07 -7.0556 0.96175E+00 -0.0169 7 Al+++ 0.33478E-17 -17.4752 0.27194E-17 -17.5655 0.81228E+00 -0.0903 8 H4SiO4 0.26892E-04 -4.5704 0.26892E-04 -4.5704 0.10000E+01 0.0000 9 Ca++ 0.17334E-04 -4.7611 0.15648E-04 -4.8055 0.90272E+00 -0.0444 10 Mg++ 0.20576E-05 -5.6866 0.18573E-05 -5.7311 0.90264E+00 -0.0445 11 Fe++ 0.17909E-06 -6.7469 0.16166E-06 -6.7914 0.90266E+00 -0.0445 12 K+ 0.55182E-06 -6.2582 0.53073E-06 -6.2751 0.96177E+00 -0.0169 13 Na+ 0.16333E-03 -3.7869 0.15708E-03 -3.8039 0.96174E+00 -0.0169 14 Mn++ 0.43949E-07 -7.3571 0.39671E-07 -7.4015 0.90267E+00 -0.0445 15 HPO4-- 0.44110E-08 -8.3555 0.39824E-08 -8.3999 0.90284E+00 -0.0444 16 HSiO3- 0.18047E-06 -6.7436 0.17357E-06 -6.7605 0.96174E+00 -0.0169 17 Ca(HSiO3)+ 0.63270E-10 -10.1988 0.60851E-10 -10.2157 0.96178E+00 -0.0169 18 Mg(HSiO3)+ 0.93459E-11 -11.0294 0.89887E-11 -11.0463 0.96178E+00 -0.0169 19 NaHSiO3,aq 0.43301E-09 -9.3635 0.43301E-09 -9.3635 0.10000E+01 0.0000 20 AlO+ 0.15973E-10 -10.7966 0.15362E-10 -10.8135 0.96178E+00 -0.0169 21 AlOH+2 0.12888E-13 -13.8898 0.11633E-13 -13.9343 0.90269E+00 -0.0445 22 HAlO2,aq 0.20336E-07 -7.6917 0.20336E-07 -7.6917 0.10000E+01 0.0000 23 AlO2- 0.31234E-06 -6.5054 0.30038E-06 -6.5223 0.96171E+00 -0.0170 24 CH4,aq 0.36770E-13 -13.4345 0.36768E-13 -13.4345 0.99992E+00 0.0000 29 CO,aq 0.36287E-15 -15.4403 0.36287E-15 -15.4403 0.10000E+01 0.0000 30 CO2,aq 0.29602E-05 -5.5287 0.29600E-05 -5.5287 0.99992E+00 0.0000 31 CO3-2 0.65794E-08 -8.1818 0.59399E-08 -8.2262 0.90280E+00 -0.0444 32 CaCO3,aq 0.11384E-08 -8.9437 0.11384E-08 -8.9437 0.10000E+01 0.0000 33 Ca(HCO3)+ 0.39812E-08 -8.4000 0.38291E-08 -8.4169 0.96178E+00 -0.0169 34 CaCl+ 0.34399E-08 -8.4634 0.33085E-08 -8.4804 0.96178E+00 -0.0169 35 CaCl2,aq 0.10221E-12 -12.9905 0.10221E-12 -12.9905 0.10000E+01 0.0000 36 CaOH+ 0.75890E-08 -8.1198 0.72989E-08 -8.1367 0.96178E+00 -0.0169 37 CaSO4,aq 0.11118E-06 -6.9540 0.11118E-06 -6.9540 0.10000E+01 0.0000 38 HCl,aq 0.37728E-11 -11.4233 0.37728E-11 -11.4233 0.10000E+01 0.0000 43 FeCl+ 0.34735E-10 -10.4592 0.33408E-10 -10.4762 0.96178E+00 -0.0169 44 FeCl2,aq 0.13748E-18 -18.8618 0.13748E-18 -18.8618 0.10000E+01 0.0000 46 FeO,aq 0.27974E-09 -9.5532 0.27974E-09 -9.5532 0.10000E+01 0.0000 47 FeOH+ 0.36861E-07 -7.4334 0.35452E-07 -7.4504 0.96178E+00 -0.0169 48 HFeO2- 0.20696E-10 -10.6841 0.19904E-10 -10.7011 0.96174E+00 -0.0169 49 FeO+ 0.13002E-11 -11.8860 0.12505E-11 -11.9029 0.96178E+00 -0.0169 50 FeOH+2 0.38967E-16 -16.4093 0.35175E-16 -16.4538 0.90269E+00 -0.0445 51 FeO2- 0.11183E-10 -10.9514 0.10755E-10 -10.9684 0.96174E+00 -0.0169 52 HFeO2,aq 0.20347E-09 -9.6915 0.20347E-09 -9.6915 0.10000E+01 0.0000 53 H2,aq 0.47603E-08 -8.3224 0.47599E-08 -8.3224 0.99992E+00 0.0000 54 KCl,aq 0.12469E-11 -11.9042 0.12469E-11 -11.9042 0.10000E+01 0.0000 55 KHSO4,aq 0.48958E-17 -17.3102 0.48958E-17 -17.3102 0.10000E+01 0.0000 56 KOH,aq 0.15305E-11 -11.8152 0.15305E-11 -11.8152 0.10000E+01 0.0000 57 KSO4- 0.19388E-09 -9.7125 0.18646E-09 -9.7294 0.96174E+00 -0.0169 58 MgCO3,aq 0.33763E-10 -10.4716 0.33763E-10 -10.4716 0.10000E+01 0.0000 59 Mg(HCO3)+ 0.48187E-09 -9.3171 0.46345E-09 -9.3340 0.96178E+00 -0.0169 60 MgCl+ 0.37066E-09 -9.4310 0.35649E-09 -9.4479 0.96178E+00 -0.0169 61 MgOH+ 0.49903E-08 -8.3019 0.47995E-08 -8.3188 0.96178E+00 -0.0169 63 MnO,aq 0.18326E-11 -11.7369 0.18326E-11 -11.7369 0.10000E+01 0.0000 64 MnOH+ 0.84034E-09 -9.0755 0.80822E-09 -9.0925 0.96178E+00 -0.0169 66 HMnO2- 0.94450E-16 -16.0248 0.90837E-16 -16.0417 0.96174E+00 -0.0169 69 MnCl+ 0.33124E-10 -10.4799 0.31858E-10 -10.4968 0.96178E+00 -0.0169 70 MnSO4,aq 0.25638E-09 -9.5911 0.25638E-09 -9.5911 0.10000E+01 0.0000 71 NaCl,aq 0.68055E-08 -8.1671 0.68055E-08 -8.1671 0.10000E+01 0.0000 72 NaOH,aq 0.45659E-09 -9.3405 0.45659E-09 -9.3405 0.10000E+01 0.0000 74 OH- 0.41260E-05 -5.3845 0.39680E-05 -5.4014 0.96171E+00 -0.0170 79 HPO3-2 0.66319E-19 -19.1784 0.59873E-19 -19.2228 0.90280E+00 -0.0444 81 H2PO3- 0.18486E-19 -19.7332 0.17779E-19 -19.7501 0.96174E+00 -0.0169 82 H3PO4,aq 0.58589E-12 -12.2322 0.58589E-12 -12.2322 0.10000E+01 0.0000 83 H2PO4- 0.10974E-07 -7.9596 0.10554E-07 -7.9766 0.96176E+00 -0.0169 84 PO4-3 0.28298E-13 -13.5482 0.23007E-13 -13.6381 0.81302E+00 -0.0899 87 H2P2O7-2 0.96572E-17 -17.0152 0.87185E-17 -17.0596 0.90280E+00 -0.0444 88 HP2O7-3 0.14559E-16 -16.8369 0.11826E-16 -16.9272 0.81229E+00 -0.0903 89 P2O7-4 0.27531E-19 -19.5602 0.19300E-19 -19.7144 0.70101E+00 -0.1543 90 H2S,aq 0.39965E-07 -7.3983 0.39962E-07 -7.3984 0.99992E+00 0.0000 91 S2-2 0.39619E-16 -16.4021 0.35768E-16 -16.4465 0.90280E+00 -0.0444 96 SO2,aq 0.10392E-16 -16.9833 0.10392E-16 -16.9833 0.10000E+01 0.0000 97 SO3-2 0.16389E-13 -13.7854 0.14800E-13 -13.8297 0.90304E+00 -0.0443 98 HSO3- 0.13614E-12 -12.8660 0.13093E-12 -12.8830 0.96174E+00 -0.0169 99 HSO4- 0.33256E-08 -8.4781 0.31985E-08 -8.4950 0.96179E+00 -0.0169 101 S2O3-2 0.11896E-13 -13.9246 0.10740E-13 -13.9690 0.90280E+00 -0.0444 102 HS2O3- 0.30128E-18 -18.5210 0.28976E-18 -18.5380 0.96174E+00 -0.0169 Charge balance for all species = 0.7001E-15 Component Molality Aq.molality ppm log[A(N)/A(H+)**Z] (total) 1 H+ 0.1571641E-06 -.2506458E-05 -.2526326E-02 0.0000 2 H2O 0.1000000E+01 0.5550825E+02 0.9999847E+06 0.0000 3 Cl- 0.1379636E-03 0.1379743E-03 0.4891539E+01 2.9434 4 SO4-- 0.2525809E-04 0.2537188E-04 0.2437232E+01 8.9991 5 HCO3- 0.1009762E-04 0.1307001E-04 0.7974851E+00 1.8078 6 HS- 0.9148276E-07 0.1326106E-06 0.4385639E-02 -0.2351 7 Al+++ 0.3347828E-17 0.3326936E-06 0.8976454E-02 2.8961 8 H4SiO4 0.2689228E-04 0.2707326E-04 0.2602123E+01 -4.5704 9 Ca++ 0.1733406E-04 0.1746145E-04 0.6998107E+00 8.8355 10 Mg++ 0.2057608E-05 0.2063494E-05 0.5016701E-01 7.9100 11 Fe++ 0.1790878E-06 0.2165002E-06 0.1209073E-01 6.8497 12 K+ 0.5518209E-06 0.5520175E-06 0.2158471E-01 0.5454 13 Na+ 0.1633271E-03 0.1633348E-03 0.3754985E+01 3.0167 14 Mn++ 0.4394871E-07 0.4508039E-07 0.2476594E-02 6.2396 15 HPO4-- 0.4410968E-08 0.1538571E-07 0.1476686E-02 5.2412 Component Tot moles Aq. moles Solid moles Gas moles 1 H+ -.3001214E-04 -.2506456E-05 -.2750568E-04 0.0000000E+00 2 H2O 0.5550822E+02 0.5550820E+02 0.1792779E-04 0.0000000E+00 3 Cl- 0.1379742E-03 0.1379742E-03 0.0000000E+00 0.0000000E+00 4 SO4-- 0.2557652E-04 0.2537186E-04 0.2046653E-06 0.0000000E+00 5 HCO3- 0.1307000E-04 0.1307000E-04 0.0000000E+00 0.0000000E+00 6 HS- -.7205486E-07 0.1326104E-06 -.2046653E-06 0.0000000E+00 7 Al+++ 0.8477928E-05 0.3326932E-06 0.8145235E-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 0.2165000E-06 0.1637322E-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 = 100.00 bar Mixer frac. = 0.0026000 Log Log Vol Gas or mineral Moles Moles Grams Grams Wt.% (cm3) diaspore 0.8145E-05 -5.089 0.4886E-03 -3.311 78.89 0.1455E-03 hematite 0.8187E-06 -6.087 0.1307E-03 -3.884 21.11 0.2478E-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 = 0.000619 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: 1.0523 bar Gas Mole fraction phi Fugacity Partial P(bar) H2O,gas 0.9997E+00 0.9855 0.1037E+01 0.1052E+01 CO2,gas 0.3196E-03 1.0073 0.3388E-03 0.3364E-03 CH4,gas 0.5455E-10 1.0129 0.5814E-10 0.5740E-10 H2,gas 0.6201E-05 1.0006 0.6529E-05 0.6525E-05 H2S,gas 0.1112E-05 0.9959 0.1166E-05 0.1170E-05 S2,gas 0.1134E-20 1.0000 0.1194E-20 0.1194E-20 CO,gas 0.5445E-12 1.0000 0.5730E-12 0.5730E-12 SO3,gas 0.1851E-33 1.0000 0.1948E-33 0.1948E-33 SO2,gas 0.4572E-16 1.0000 0.4812E-16 0.4812E-16 HCl,gas 0.6331E-14 1.0000 0.6662E-14 0.6662E-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 2.90 2.90 0.00 0.000 -0.22748E-11 90 hematite 12.60 12.60 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 1.98 0.00 -1.98 -1.984 0.33882E+04 0.016 2 CO2,gas -6.36 -11.83 -5.47 -1.823 0.93399E+04 -3.470 3 CH4,gas 4.81 -7.43 -12.24 -3.059 0.20892E+05 -10.235 4 H2,gas 8.29 1.10 -7.19 -4.106 0.12269E+05 -5.185 5 H2S,gas -5.94 -13.88 -7.93 -3.967 0.13546E+05 -5.933 6 S2,gas -7.03 -29.96 -22.92 -3.527 0.39141E+05 -20.923 7 CO,gas 3.51 -10.73 -14.24 -4.382 0.24318E+05 -12.242 8 SO3,gas 17.43 -18.28 -35.71 -8.928 0.60974E+05 -33.710 9 SO2,gas 1.14 -17.18 -18.32 -4.885 0.31277E+05 -16.318 10 HCl,gas 5.48 -10.70 -16.18 -8.088 0.27621E+05 -14.176 21 andalusite 5.06 1.22 -3.84 -0.384 0.65577E+04 24 anhydrite -5.28 -9.45 -4.17 -2.084 0.71164E+04 32 apatite-OH -17.99 -21.95 -3.96 -0.304 0.67554E+04 35 aragonite 0.99 -3.00 -3.98 -1.328 0.68025E+04 36 brucite 12.58 7.91 -4.67 -0.933 0.79682E+04 37 calcite 0.83 -3.00 -3.83 -1.277 0.65411E+04 40 carpholite-Mg 8.65 4.56 -4.09 -0.273 0.69818E+04 41 carpholite-Fe 6.78 3.50 -3.28 -0.219 0.56036E+04 47 daphnite 29.09 26.33 -2.76 -0.086 0.47209E+04 50 chloritoid-Mg 13.26 9.13 -4.13 -0.275 0.70510E+04 51 chloritoid-Fe 9.24 8.07 -1.17 -0.078 0.19930E+04 52 chloritoid-Mn 11.46 7.46 -4.00 -0.267 0.68331E+04 54 coesite -2.37 -4.57 -2.20 -0.734 0.37582E+04 59 corundum 8.43 5.79 -2.64 -0.240 0.45099E+04 61 cristobalite -2.55 -4.57 -2.02 -0.674 0.34511E+04 78 fayalite 14.08 9.13 -4.95 -0.707 0.84520E+04 83 gibbsite 4.10 2.90 -1.20 -0.172 0.20512E+04 87 greenalite 16.19 11.41 -4.79 -0.399 0.81719E+04 92 hercynite 17.34 12.64 -4.70 -0.314 0.80297E+04 98 kaolinite -1.27 -3.35 -2.08 -0.189 0.35437E+04 99 kyanite 4.93 1.22 -3.71 -0.371 0.63344E+04 102 lawsonite 9.68 5.49 -4.19 -0.279 0.71567E+04 106 magnesite 0.71 -3.92 -4.63 -1.544 0.79100E+04 107 magnetite 20.13 19.45 -0.69 -0.056 0.11705E+04 128 periclase-Fe 11.64 6.85 -4.79 -1.197 0.81779E+04 142 pyrite -21.23 -22.00 -0.78 -0.183 0.13301E+04 143 pyrrhotite -4.24 -7.03 -2.78 -0.928 0.47517E+04 144 pyrrhotiteFe0.875 -6.00 -8.02 -2.02 -0.742 0.34462E+04 147 quartz -2.98 -4.57 -1.59 -0.529 0.27121E+04 152 rhodochrosite -0.96 -5.59 -4.64 -1.545 0.79144E+04 156 siderite -2.59 -4.98 -2.40 -0.799 0.40910E+04 157 sillimanite 5.32 1.22 -4.10 -0.410 0.69999E+04 178 topaz-H 4.67 1.22 -3.45 -0.313 0.58835E+04 179 tridymite -2.61 -4.57 -1.96 -0.652 0.33394E+04 182 troilite-low -4.39 -7.03 -2.63 -0.878 0.44949E+04 193 akaganeite 7.77 6.30 -1.47 -0.318 0.25082E+04 200 chalcedony -2.79 -4.57 -1.78 -0.592 0.30324E+04 215 gypsum -4.92 -9.45 -4.52 -1.131 0.77231E+04 234 boehmite 4.43 2.90 -1.53 -0.256 0.26184E+04 236 ferrous-oxide 9.82 6.85 -2.97 -0.744 0.50790E+04 241 silica-amorphous -2.08 -4.57 -2.49 -0.830 0.42526E+04 Calculations done for 100.0000 Deg. C; 100.0000 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 = 100.00 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 = .2498869E-03 Osmotic coef. = 0.9905 True ionic strength = .2488572E-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+ 0.14668E-06 -6.8336 0.14108E-06 -6.8505 0.96183E+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 0.96172E+00 -0.0170 4 SO4-- 0.25249E-04 -4.5978 0.22793E-04 -4.6422 0.90274E+00 -0.0444 5 HCO3- 0.10252E-04 -4.9892 0.98599E-05 -5.0061 0.96174E+00 -0.0169 6 HS- 0.99643E-07 -7.0016 0.95829E-07 -7.0185 0.96172E+00 -0.0170 7 Al+++ 0.27222E-17 -17.5651 0.22107E-17 -17.6555 0.81208E+00 -0.0904 8 H4SiO4 0.27913E-04 -4.5542 0.27913E-04 -4.5542 0.10000E+01 0.0000 9 Ca++ 0.17448E-04 -4.7583 0.15749E-04 -4.8028 0.90262E+00 -0.0445 10 Mg++ 0.21364E-05 -5.6703 0.19282E-05 -5.7149 0.90254E+00 -0.0445 11 Fe++ 0.15906E-06 -6.7984 0.14356E-06 -6.8430 0.90256E+00 -0.0445 12 K+ 0.57304E-06 -6.2418 0.55112E-06 -6.2588 0.96175E+00 -0.0169 13 Na+ 0.16345E-03 -3.7866 0.15719E-03 -3.8036 0.96172E+00 -0.0170 14 Mn++ 0.45578E-07 -7.3412 0.41138E-07 -7.3858 0.90257E+00 -0.0445 15 HPO4-- 0.48098E-08 -8.3179 0.43420E-08 -8.3623 0.90274E+00 -0.0444 16 HSiO3- 0.20072E-06 -6.6974 0.19303E-06 -6.7144 0.96172E+00 -0.0170 17 Ca(HSiO3)+ 0.70821E-10 -10.1498 0.68112E-10 -10.1668 0.96175E+00 -0.0169 18 Mg(HSiO3)+ 0.10791E-10 -10.9669 0.10378E-10 -10.9839 0.96175E+00 -0.0169 19 NaHSiO3,aq 0.48194E-09 -9.3170 0.48194E-09 -9.3170 0.10000E+01 0.0000 20 AlO+ 0.14908E-10 -10.8266 0.14338E-10 -10.8435 0.96175E+00 -0.0169 21 AlOH+2 0.11227E-13 -13.9497 0.10133E-13 -13.9943 0.90259E+00 -0.0445 22 HAlO2,aq 0.20336E-07 -7.6917 0.20336E-07 -7.6917 0.10000E+01 0.0000 23 AlO2- 0.33468E-06 -6.4754 0.32185E-06 -6.4923 0.96169E+00 -0.0170 24 CH4,aq 0.40680E-13 -13.3906 0.40677E-13 -13.3907 0.99992E+00 0.0000 29 CO,aq 0.35741E-15 -15.4468 0.35741E-15 -15.4468 0.10000E+01 0.0000 30 CO2,aq 0.28049E-05 -5.5521 0.28047E-05 -5.5521 0.99992E+00 0.0000 31 CO3-2 0.71581E-08 -8.1452 0.64617E-08 -8.1897 0.90270E+00 -0.0445 32 CaCO3,aq 0.12463E-08 -8.9044 0.12463E-08 -8.9044 0.10000E+01 0.0000 33 Ca(HCO3)+ 0.40682E-08 -8.3906 0.39126E-08 -8.4075 0.96175E+00 -0.0169 34 CaCl+ 0.34621E-08 -8.4607 0.33297E-08 -8.4776 0.96175E+00 -0.0169 35 CaCl2,aq 0.10286E-12 -12.9877 0.10286E-12 -12.9877 0.10000E+01 0.0000 36 CaOH+ 0.81840E-08 -8.0870 0.78710E-08 -8.1040 0.96175E+00 -0.0169 37 CaSO4,aq 0.11184E-06 -6.9514 0.11184E-06 -6.9514 0.10000E+01 0.0000 38 HCl,aq 0.35211E-11 -11.4533 0.35211E-11 -11.4533 0.10000E+01 0.0000 43 FeCl+ 0.30847E-10 -10.5108 0.29667E-10 -10.5277 0.96175E+00 -0.0169 44 FeCl2,aq 0.12208E-18 -18.9133 0.12208E-18 -18.9133 0.10000E+01 0.0000 46 FeO,aq 0.28521E-09 -9.5448 0.28521E-09 -9.5448 0.10000E+01 0.0000 47 FeOH+ 0.35076E-07 -7.4550 0.33734E-07 -7.4719 0.96175E+00 -0.0169 48 HFeO2- 0.22609E-10 -10.6457 0.21744E-10 -10.6627 0.96172E+00 -0.0170 49 FeO+ 0.12135E-11 -11.9160 0.11671E-11 -11.9329 0.96175E+00 -0.0169 50 FeOH+2 0.33946E-16 -16.4692 0.30639E-16 -16.5137 0.90259E+00 -0.0445 51 FeO2- 0.11982E-10 -10.9215 0.11524E-10 -10.9384 0.96172E+00 -0.0170 52 HFeO2,aq 0.20347E-09 -9.6915 0.20347E-09 -9.6915 0.10000E+01 0.0000 53 H2,aq 0.49483E-08 -8.3055 0.49479E-08 -8.3056 0.99992E+00 0.0000 54 KCl,aq 0.12948E-11 -11.8878 0.12948E-11 -11.8878 0.10000E+01 0.0000 55 KHSO4,aq 0.47426E-17 -17.3240 0.47426E-17 -17.3240 0.10000E+01 0.0000 56 KOH,aq 0.17030E-11 -11.7688 0.17030E-11 -11.7688 0.10000E+01 0.0000 57 KSO4- 0.20124E-09 -9.6963 0.19353E-09 -9.7132 0.96172E+00 -0.0170 58 MgCO3,aq 0.38130E-10 -10.4187 0.38130E-10 -10.4187 0.10000E+01 0.0000 59 Mg(HCO3)+ 0.50791E-09 -9.2942 0.48848E-09 -9.3111 0.96175E+00 -0.0169 60 MgCl+ 0.38481E-09 -9.4148 0.37009E-09 -9.4317 0.96175E+00 -0.0169 61 MgOH+ 0.55512E-08 -8.2556 0.53388E-08 -8.2726 0.96175E+00 -0.0169 63 MnO,aq 0.21817E-11 -11.6612 0.21817E-11 -11.6612 0.10000E+01 0.0000 64 MnOH+ 0.93372E-09 -9.0298 0.89800E-09 -9.0467 0.96175E+00 -0.0169 66 HMnO2- 0.12048E-15 -15.9191 0.11587E-15 -15.9360 0.96172E+00 -0.0170 69 MnCl+ 0.34348E-10 -10.4641 0.33035E-10 -10.4810 0.96175E+00 -0.0169 70 MnSO4,aq 0.26573E-09 -9.5756 0.26573E-09 -9.5756 0.10000E+01 0.0000 71 NaCl,aq 0.68103E-08 -8.1668 0.68103E-08 -8.1668 0.10000E+01 0.0000 72 NaOH,aq 0.48958E-09 -9.3102 0.48958E-09 -9.3102 0.10000E+01 0.0000 74 OH- 0.44210E-05 -5.3545 0.42516E-05 -5.3714 0.96169E+00 -0.0170 79 HPO3-2 0.75170E-19 -19.1240 0.67856E-19 -19.1684 0.90270E+00 -0.0445 81 H2PO3- 0.19554E-19 -19.7088 0.18805E-19 -19.7257 0.96172E+00 -0.0170 82 H3PO4,aq 0.55641E-12 -12.2546 0.55641E-12 -12.2546 0.10000E+01 0.0000 83 H2PO4- 0.11167E-07 -7.9521 0.10740E-07 -7.9690 0.96173E+00 -0.0169 84 PO4-3 0.33066E-13 -13.4806 0.26877E-13 -13.5706 0.81282E+00 -0.0900 87 H2P2O7-2 0.10000E-16 -17.0000 0.90274E-17 -17.0444 0.90270E+00 -0.0445 88 HP2O7-3 0.16156E-16 -16.7917 0.13120E-16 -16.8821 0.81209E+00 -0.0904 89 P2O7-4 0.32742E-19 -19.4849 0.22942E-19 -19.6394 0.70071E+00 -0.1545 90 H2S,aq 0.40625E-07 -7.3912 0.40622E-07 -7.3912 0.99992E+00 0.0000 91 S2-2 0.45220E-16 -16.3447 0.40820E-16 -16.3891 0.90270E+00 -0.0445 96 SO2,aq 0.94050E-17 -17.0266 0.94050E-17 -17.0266 0.10000E+01 0.0000 97 SO3-2 0.17030E-13 -13.7688 0.15377E-13 -13.8131 0.90295E+00 -0.0443 98 HSO3- 0.13201E-12 -12.8794 0.12696E-12 -12.8963 0.96172E+00 -0.0170 99 HSO4- 0.31024E-08 -8.5083 0.29838E-08 -8.5252 0.96177E+00 -0.0169 101 S2O3-2 0.12088E-13 -13.9176 0.10912E-13 -13.9621 0.90270E+00 -0.0445 102 HS2O3- 0.28570E-18 -18.5441 0.27476E-18 -18.5610 0.96172E+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+ 0.1466840E-06 -.3076504E-05 -.3100891E-02 0.0000 2 H2O 0.1000000E+01 0.5550825E+02 0.9999846E+06 0.0000 3 Cl- 0.1379636E-03 0.1379743E-03 0.4891539E+01 2.9733 4 SO4-- 0.2524881E-04 0.2536302E-04 0.2436380E+01 9.0588 5 HCO3- 0.1025209E-04 0.1307001E-04 0.7974851E+00 1.8444 6 HS- 0.9964323E-07 0.1414780E-06 0.4678900E-02 -0.1680 7 Al+++ 0.2722211E-17 0.3550263E-06 0.9579017E-02 2.8961 8 H4SiO4 0.2791326E-04 0.2811454E-04 0.2702205E+01 -4.5542 9 Ca++ 0.1744759E-04 0.1757646E-04 0.7044202E+00 8.8983 10 Mg++ 0.2136366E-05 0.2142859E-05 0.5209651E-01 7.9862 11 Fe++ 0.1590593E-06 0.1946906E-06 0.1087274E-01 6.8581 12 K+ 0.5730447E-06 0.5732490E-06 0.2241489E-01 0.5918 13 Na+ 0.1634525E-03 0.1634603E-03 0.3757870E+01 3.0470 14 Mn++ 0.4557828E-07 0.4681426E-07 0.2571848E-02 6.3153 15 HPO4-- 0.4809751E-08 0.1597747E-07 0.1533482E-02 5.3387 Component Tot moles Aq. moles Solid moles Gas moles 1 H+ -.3166799E-04 -.3076501E-05 -.2859149E-04 0.0000000E+00 2 H2O 0.5550822E+02 0.5550820E+02 0.1862839E-04 0.0000000E+00 3 Cl- 0.1379742E-03 0.1379742E-03 0.0000000E+00 0.0000000E+00 4 SO4-- 0.2557930E-04 0.2536299E-04 0.2163041E-06 0.0000000E+00 5 HCO3- 0.1307000E-04 0.1307000E-04 0.0000000E+00 0.0000000E+00 6 HS- -.7482620E-07 0.1414779E-06 -.2163041E-06 0.0000000E+00 7 Al+++ 0.8804002E-05 0.3550260E-06 0.8448976E-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 0.1946904E-06 0.1730433E-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: 0.2118E-20 Mass of aqueous solution: 0.100001E+04 g Temperature = 100.00 C Pressure = 100.00 bar Mixer frac. = 0.0027000 Log Log Vol Gas or mineral Moles Moles Grams Grams Wt.% (cm3) diaspore 0.8449E-05 -5.073 0.5069E-03 -3.295 78.58 0.1509E-03 hematite 0.8652E-06 -6.063 0.1382E-03 -3.860 21.42 0.2619E-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 = 0.000645 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: 1.0523 bar Gas Mole fraction phi Fugacity Partial P(bar) H2O,gas 0.9997E+00 0.9855 0.1037E+01 0.1052E+01 CO2,gas 0.3029E-03 1.0073 0.3210E-03 0.3187E-03 CH4,gas 0.6035E-10 1.0129 0.6433E-10 0.6351E-10 H2,gas 0.6446E-05 1.0006 0.6786E-05 0.6783E-05 H2S,gas 0.1131E-05 0.9959 0.1185E-05 0.1190E-05 S2,gas 0.1085E-20 1.0000 0.1142E-20 0.1142E-20 CO,gas 0.5363E-12 1.0000 0.5644E-12 0.5644E-12 SO3,gas 0.1612E-33 1.0000 0.1696E-33 0.1696E-33 SO2,gas 0.4138E-16 1.0000 0.4354E-16 0.4354E-16 HCl,gas 0.5908E-14 1.0000 0.6217E-14 0.6217E-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 2.90 2.90 0.00 0.000 -0.22748E-11 90 hematite 12.60 12.60 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 1.98 0.00 -1.98 -1.984 0.33882E+04 0.016 2 CO2,gas -6.36 -11.86 -5.49 -1.831 0.93799E+04 -3.493 3 CH4,gas 4.81 -7.38 -12.19 -3.048 0.20817E+05 -10.192 4 H2,gas 8.29 1.12 -7.17 -4.096 0.12240E+05 -5.168 5 H2S,gas -5.94 -13.87 -7.93 -3.963 0.13534E+05 -5.926 6 S2,gas -7.03 -29.98 -22.94 -3.530 0.39174E+05 -20.943 7 CO,gas 3.51 -10.74 -14.25 -4.384 0.24329E+05 -12.248 8 SO3,gas 17.43 -18.34 -35.77 -8.943 0.61077E+05 -33.771 9 SO2,gas 1.14 -17.22 -18.36 -4.896 0.31351E+05 -16.361 10 HCl,gas 5.48 -10.73 -16.21 -8.103 0.27672E+05 -14.206 21 andalusite 5.06 1.24 -3.82 -0.382 0.65300E+04 24 anhydrite -5.28 -9.44 -4.17 -2.083 0.71120E+04 32 apatite-OH -17.99 -21.70 -3.71 -0.285 0.63345E+04 35 aragonite 0.99 -2.96 -3.94 -1.315 0.67353E+04 36 brucite 12.58 7.99 -4.59 -0.918 0.78380E+04 37 calcite 0.83 -2.96 -3.79 -1.264 0.64739E+04 40 carpholite-Mg 8.65 4.67 -3.98 -0.265 0.67964E+04 41 carpholite-Fe 6.78 3.54 -3.24 -0.216 0.55339E+04 47 daphnite 29.09 26.42 -2.67 -0.084 0.45662E+04 50 chloritoid-Mg 13.26 9.22 -4.04 -0.269 0.68932E+04 51 chloritoid-Fe 9.24 8.10 -1.14 -0.076 0.19510E+04 52 chloritoid-Mn 11.46 7.55 -3.91 -0.261 0.66761E+04 54 coesite -2.37 -4.55 -2.18 -0.728 0.37306E+04 59 corundum 8.43 5.79 -2.64 -0.240 0.45099E+04 61 cristobalite -2.55 -4.55 -2.00 -0.668 0.34234E+04 78 fayalite 14.08 9.16 -4.92 -0.702 0.83956E+04 83 gibbsite 4.10 2.90 -1.20 -0.172 0.20512E+04 87 greenalite 16.19 11.47 -4.73 -0.394 0.80735E+04 92 hercynite 17.34 12.65 -4.69 -0.313 0.80153E+04 98 kaolinite -1.27 -3.32 -2.04 -0.186 0.34885E+04 99 kyanite 4.93 1.24 -3.69 -0.369 0.63068E+04 102 lawsonite 9.68 5.58 -4.10 -0.273 0.69943E+04 106 magnesite 0.71 -3.87 -4.58 -1.527 0.78198E+04 107 magnetite 20.13 19.46 -0.68 -0.055 0.11561E+04 128 periclase-Fe 11.64 6.86 -4.78 -1.195 0.81635E+04 142 pyrite -21.23 -22.00 -0.77 -0.182 0.13202E+04 143 pyrrhotite -4.24 -7.01 -2.77 -0.922 0.47252E+04 144 pyrrhotiteFe0.875 -6.00 -8.01 -2.01 -0.738 0.34250E+04 147 quartz -2.98 -4.55 -1.57 -0.524 0.26845E+04 152 rhodochrosite -0.96 -5.54 -4.58 -1.528 0.78251E+04 156 siderite -2.59 -5.00 -2.41 -0.804 0.41166E+04 157 sillimanite 5.32 1.24 -4.08 -0.408 0.69722E+04 178 topaz-H 4.67 1.24 -3.43 -0.312 0.58559E+04 179 tridymite -2.61 -4.55 -1.94 -0.647 0.33118E+04 182 troilite-low -4.39 -7.01 -2.62 -0.872 0.44684E+04 193 akaganeite 7.77 6.30 -1.47 -0.318 0.25082E+04 200 chalcedony -2.79 -4.55 -1.76 -0.587 0.30048E+04 206 nontronite-Ca 3.28 -1.69 -4.97 -0.323 0.84895E+04 209 nontronite-Mg 3.14 -1.84 -4.98 -0.323 0.85068E+04 215 gypsum -4.92 -9.44 -4.52 -1.130 0.77187E+04 234 boehmite 4.43 2.90 -1.53 -0.256 0.26184E+04 236 ferrous-oxide 9.82 6.86 -2.97 -0.742 0.50646E+04 241 silica-amorphous -2.08 -4.55 -2.47 -0.825 0.42250E+04 Calculations done for 100.0000 Deg. C; 100.0000 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 = 100.00 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 = .2504075E-03 Osmotic coef. = 0.9905 True ionic strength = .2495153E-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+ 0.13715E-06 -6.8628 0.13191E-06 -6.8797 0.96180E+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 0.96169E+00 -0.0170 4 SO4-- 0.25240E-04 -4.5979 0.22783E-04 -4.6424 0.90264E+00 -0.0445 5 HCO3- 0.10397E-04 -4.9831 0.99988E-05 -5.0001 0.96172E+00 -0.0170 6 HS- 0.10770E-06 -6.9678 0.10358E-06 -6.9847 0.96169E+00 -0.0170 7 Al+++ 0.22253E-17 -17.6526 0.18067E-17 -17.7431 0.81188E+00 -0.0905 8 H4SiO4 0.28933E-04 -4.5386 0.28933E-04 -4.5386 0.10000E+01 0.0000 9 Ca++ 0.17561E-04 -4.7554 0.15849E-04 -4.8000 0.90252E+00 -0.0445 10 Mg++ 0.22151E-05 -5.6546 0.19990E-05 -5.6992 0.90244E+00 -0.0446 11 Fe++ 0.14160E-06 -6.8489 0.12779E-06 -6.8935 0.90246E+00 -0.0446 12 K+ 0.59427E-06 -6.2260 0.57152E-06 -6.2430 0.96172E+00 -0.0170 13 Na+ 0.16358E-03 -3.7863 0.15731E-03 -3.8032 0.96169E+00 -0.0170 14 Mn++ 0.47201E-07 -7.3261 0.42598E-07 -7.3706 0.90248E+00 -0.0446 15 HPO4-- 0.52258E-08 -8.2818 0.47170E-08 -8.3263 0.90264E+00 -0.0445 16 HSiO3- 0.22253E-06 -6.6526 0.21401E-06 -6.6696 0.96169E+00 -0.0170 17 Ca(HSiO3)+ 0.79019E-10 -10.1023 0.75995E-10 -10.1192 0.96173E+00 -0.0169 18 Mg(HSiO3)+ 0.12403E-10 -10.9065 0.11928E-10 -10.9234 0.96173E+00 -0.0169 19 NaHSiO3,aq 0.53469E-09 -9.2719 0.53469E-09 -9.2719 0.10000E+01 0.0000 20 AlO+ 0.13938E-10 -10.8558 0.13405E-10 -10.8727 0.96173E+00 -0.0169 21 AlOH+2 0.98146E-14 -14.0081 0.88576E-14 -14.0527 0.90249E+00 -0.0446 22 HAlO2,aq 0.20336E-07 -7.6917 0.20336E-07 -7.6917 0.10000E+01 0.0000 23 AlO2- 0.35797E-06 -6.4462 0.34425E-06 -6.4631 0.96166E+00 -0.0170 24 CH4,aq 0.44609E-13 -13.3506 0.44606E-13 -13.3506 0.99992E+00 0.0000 29 CO,aq 0.35142E-15 -15.4542 0.35142E-15 -15.4542 0.10000E+01 0.0000 30 CO2,aq 0.26594E-05 -5.5752 0.26592E-05 -5.5753 0.99992E+00 0.0000 31 CO3-2 0.77649E-08 -8.1099 0.70086E-08 -8.1544 0.90260E+00 -0.0445 32 CaCO3,aq 0.13605E-08 -8.8663 0.13605E-08 -8.8663 0.10000E+01 0.0000 33 Ca(HCO3)+ 0.41520E-08 -8.3817 0.39930E-08 -8.3987 0.96173E+00 -0.0169 34 CaCl+ 0.34842E-08 -8.4579 0.33509E-08 -8.4748 0.96173E+00 -0.0169 35 CaCl2,aq 0.10352E-12 -12.9850 0.10352E-12 -12.9850 0.10000E+01 0.0000 36 CaOH+ 0.88097E-08 -8.0550 0.84725E-08 -8.0720 0.96173E+00 -0.0169 37 CaSO4,aq 0.11251E-06 -6.9488 0.11251E-06 -6.9488 0.10000E+01 0.0000 38 HCl,aq 0.32919E-11 -11.4826 0.32919E-11 -11.4826 0.10000E+01 0.0000 43 FeCl+ 0.27459E-10 -10.5613 0.26408E-10 -10.5783 0.96173E+00 -0.0169 44 FeCl2,aq 0.10867E-18 -18.9639 0.10867E-18 -18.9639 0.10000E+01 0.0000 46 FeO,aq 0.29044E-09 -9.5369 0.29044E-09 -9.5369 0.10000E+01 0.0000 47 FeOH+ 0.33397E-07 -7.4763 0.32119E-07 -7.4932 0.96173E+00 -0.0169 48 HFeO2- 0.24627E-10 -10.6086 0.23683E-10 -10.6256 0.96169E+00 -0.0170 49 FeO+ 0.11346E-11 -11.9452 0.10911E-11 -11.9621 0.96173E+00 -0.0169 50 FeOH+2 0.29676E-16 -16.5276 0.26782E-16 -16.5722 0.90249E+00 -0.0446 51 FeO2- 0.12817E-10 -10.8922 0.12326E-10 -10.9092 0.96169E+00 -0.0170 52 HFeO2,aq 0.20347E-09 -9.6915 0.20347E-09 -9.6915 0.10000E+01 0.0000 53 H2,aq 0.51315E-08 -8.2898 0.51311E-08 -8.2898 0.99992E+00 0.0000 54 KCl,aq 0.13427E-11 -11.8720 0.13427E-11 -11.8720 0.10000E+01 0.0000 55 KHSO4,aq 0.45960E-17 -17.3376 0.45960E-17 -17.3376 0.10000E+01 0.0000 56 KOH,aq 0.18889E-11 -11.7238 0.18889E-11 -11.7238 0.10000E+01 0.0000 57 KSO4- 0.20859E-09 -9.6807 0.20060E-09 -9.6977 0.96169E+00 -0.0170 58 MgCO3,aq 0.42877E-10 -10.3678 0.42877E-10 -10.3678 0.10000E+01 0.0000 59 Mg(HCO3)+ 0.53400E-09 -9.2725 0.51356E-09 -9.2894 0.96173E+00 -0.0169 60 MgCl+ 0.39894E-09 -9.3991 0.38367E-09 -9.4160 0.96173E+00 -0.0169 61 MgOH+ 0.61557E-08 -8.2107 0.59201E-08 -8.2277 0.96173E+00 -0.0169 63 MnO,aq 0.25845E-11 -11.5876 0.25845E-11 -11.5876 0.10000E+01 0.0000 64 MnOH+ 0.10342E-08 -8.9854 0.99457E-09 -9.0024 0.96173E+00 -0.0169 66 HMnO2- 0.15266E-15 -15.8163 0.14681E-15 -15.8332 0.96169E+00 -0.0170 69 MnCl+ 0.35567E-10 -10.4489 0.34206E-10 -10.4659 0.96173E+00 -0.0169 70 MnSO4,aq 0.27504E-09 -9.5606 0.27504E-09 -9.5606 0.10000E+01 0.0000 71 NaCl,aq 0.68152E-08 -8.1665 0.68152E-08 -8.1665 0.10000E+01 0.0000 72 NaOH,aq 0.52404E-09 -9.2806 0.52404E-09 -9.2806 0.10000E+01 0.0000 74 OH- 0.47287E-05 -5.3253 0.45474E-05 -5.3422 0.96166E+00 -0.0170 79 HPO3-2 0.84698E-19 -19.0721 0.76448E-19 -19.1166 0.90260E+00 -0.0445 81 H2PO3- 0.20597E-19 -19.6862 0.19808E-19 -19.7032 0.96169E+00 -0.0170 82 H3PO4,aq 0.52838E-12 -12.2771 0.52838E-12 -12.2771 0.10000E+01 0.0000 83 H2PO4- 0.11343E-07 -7.9453 0.10909E-07 -7.9622 0.96171E+00 -0.0170 84 PO4-3 0.38431E-13 -13.4153 0.31230E-13 -13.5054 0.81263E+00 -0.0901 87 H2P2O7-2 0.10318E-16 -16.9864 0.93132E-17 -17.0309 0.90260E+00 -0.0445 88 HP2O7-3 0.17832E-16 -16.7488 0.14478E-16 -16.8393 0.81189E+00 -0.0905 89 P2O7-4 0.38659E-19 -19.4127 0.27077E-19 -19.5674 0.70040E+00 -0.1547 90 H2S,aq 0.41053E-07 -7.3867 0.41049E-07 -7.3867 0.99992E+00 0.0000 91 S2-2 0.50946E-16 -16.2929 0.45984E-16 -16.3374 0.90260E+00 -0.0445 96 SO2,aq 0.85217E-17 -17.0695 0.85217E-17 -17.0695 0.10000E+01 0.0000 97 SO3-2 0.17654E-13 -13.7531 0.15939E-13 -13.7975 0.90285E+00 -0.0444 98 HSO3- 0.12794E-12 -12.8930 0.12304E-12 -12.9100 0.96169E+00 -0.0170 99 HSO4- 0.28993E-08 -8.5377 0.27884E-08 -8.5547 0.96174E+00 -0.0169 101 S2O3-2 0.12211E-13 -13.9132 0.11022E-13 -13.9577 0.90260E+00 -0.0445 102 HS2O3- 0.26981E-18 -18.5689 0.25947E-18 -18.5859 0.96169E+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+ 0.1371452E-06 -.3654465E-05 -.3683432E-02 0.0000 2 H2O 0.1000000E+01 0.5550825E+02 0.9999845E+06 0.0000 3 Cl- 0.1379636E-03 0.1379743E-03 0.4891538E+01 3.0025 4 SO4-- 0.2523985E-04 0.2535449E-04 0.2435560E+01 9.1171 5 HCO3- 0.1039679E-04 0.1307001E-04 0.7974850E+00 1.8797 6 HS- 0.1077021E-06 0.1500105E-06 0.4961082E-02 -0.1050 7 Al+++ 0.2225289E-17 0.3783225E-06 0.1020757E-01 2.8961 8 H4SiO4 0.2893267E-04 0.2915582E-04 0.2802286E+01 -4.5386 9 Ca++ 0.1756109E-04 0.1769148E-04 0.7090296E+00 8.9595 10 Mg++ 0.2215081E-05 0.2222225E-05 0.5402600E-01 8.0603 11 Fe++ 0.1416042E-06 0.1755610E-06 0.9804423E-02 6.8660 12 K+ 0.5942686E-06 0.5944804E-06 0.2324506E-01 0.6368 13 Na+ 0.1635780E-03 0.1635859E-03 0.3760756E+01 3.0765 14 Mn++ 0.4720078E-07 0.4854812E-07 0.2667101E-02 6.3889 15 HPO4-- 0.5225803E-08 0.1656923E-07 0.1590277E-02 5.4331 Component Tot moles Aq. moles Solid moles Gas moles 1 H+ -.3332384E-04 -.3654461E-05 -.2966938E-04 0.0000000E+00 2 H2O 0.5550822E+02 0.5550820E+02 0.1932437E-04 0.0000000E+00 3 Cl- 0.1379742E-03 0.1379742E-03 0.0000000E+00 0.0000000E+00 4 SO4-- 0.2558207E-04 0.2535446E-04 0.2276079E-06 0.0000000E+00 5 HCO3- 0.1307000E-04 0.1307000E-04 0.0000000E+00 0.0000000E+00 6 HS- -.7759754E-07 0.1500104E-06 -.2276079E-06 0.0000000E+00 7 Al+++ 0.9130077E-05 0.3783221E-06 0.8751754E-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 0.1755608E-06 0.1820863E-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: 0.3388E-20 Mass of aqueous solution: 0.100001E+04 g Temperature = 100.00 C Pressure = 100.00 bar Mixer frac. = 0.0028000 Log Log Vol Gas or mineral Moles Moles Grams Grams Wt.% (cm3) diaspore 0.8752E-05 -5.058 0.5250E-03 -3.280 78.31 0.1563E-03 hematite 0.9104E-06 -6.041 0.1454E-03 -3.837 21.69 0.2756E-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 = 0.000670 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: 1.0522 bar Gas Mole fraction phi Fugacity Partial P(bar) H2O,gas 0.9997E+00 0.9855 0.1037E+01 0.1052E+01 CO2,gas 0.2872E-03 1.0073 0.3044E-03 0.3022E-03 CH4,gas 0.6618E-10 1.0129 0.7054E-10 0.6964E-10 H2,gas 0.6685E-05 1.0006 0.7038E-05 0.7034E-05 H2S,gas 0.1142E-05 0.9959 0.1197E-05 0.1202E-05 S2,gas 0.1030E-20 1.0000 0.1084E-20 0.1084E-20 CO,gas 0.5273E-12 1.0000 0.5549E-12 0.5549E-12 SO3,gas 0.1408E-33 1.0000 0.1482E-33 0.1482E-33 SO2,gas 0.3750E-16 1.0000 0.3945E-16 0.3945E-16 HCl,gas 0.5524E-14 1.0000 0.5813E-14 0.5813E-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 2.90 2.90 0.00 0.000 0.37914E-11 90 hematite 12.60 12.60 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 1.98 0.00 -1.98 -1.984 0.33882E+04 0.016 2 CO2,gas -6.36 -11.88 -5.52 -1.839 0.94194E+04 -3.517 3 CH4,gas 4.81 -7.34 -12.15 -3.038 0.20748E+05 -10.152 4 H2,gas 8.29 1.13 -7.15 -4.087 0.12213E+05 -5.153 5 H2S,gas -5.94 -13.86 -7.92 -3.961 0.13526E+05 -5.922 6 S2,gas -7.03 -30.00 -22.96 -3.533 0.39212E+05 -20.965 7 CO,gas 3.51 -10.75 -14.26 -4.386 0.24341E+05 -12.256 8 SO3,gas 17.43 -18.40 -35.83 -8.957 0.61177E+05 -33.829 9 SO2,gas 1.14 -17.27 -18.40 -4.908 0.31424E+05 -16.404 10 HCl,gas 5.48 -10.76 -16.24 -8.118 0.27722E+05 -14.236 21 andalusite 5.06 1.25 -3.81 -0.381 0.65034E+04 24 anhydrite -5.28 -9.44 -4.16 -2.081 0.71076E+04 32 apatite-OH -17.99 -21.46 -3.47 -0.267 0.59271E+04 35 aragonite 0.99 -2.92 -3.91 -1.302 0.66703E+04 36 brucite 12.58 8.06 -4.52 -0.903 0.77115E+04 37 calcite 0.83 -2.92 -3.75 -1.251 0.64090E+04 40 carpholite-Mg 8.65 4.78 -3.88 -0.258 0.66167E+04 41 carpholite-Fe 6.78 3.58 -3.20 -0.213 0.54673E+04 47 daphnite 29.09 26.51 -2.59 -0.081 0.44190E+04 50 chloritoid-Mg 13.26 9.31 -3.95 -0.263 0.67401E+04 51 chloritoid-Fe 9.24 8.12 -1.12 -0.075 0.19109E+04 52 chloritoid-Mn 11.46 7.64 -3.82 -0.255 0.65239E+04 54 coesite -2.37 -4.54 -2.17 -0.723 0.37040E+04 59 corundum 8.43 5.79 -2.64 -0.240 0.45099E+04 61 cristobalite -2.55 -4.54 -1.99 -0.663 0.33968E+04 78 fayalite 14.08 9.19 -4.89 -0.698 0.83421E+04 83 gibbsite 4.10 2.90 -1.20 -0.172 0.20512E+04 87 greenalite 16.19 11.52 -4.67 -0.389 0.79799E+04 92 hercynite 17.34 12.66 -4.69 -0.312 0.80018E+04 98 kaolinite -1.27 -3.29 -2.01 -0.183 0.34353E+04 99 kyanite 4.93 1.25 -3.68 -0.368 0.62802E+04 102 lawsonite 9.68 5.67 -4.00 -0.267 0.68366E+04 106 magnesite 0.71 -3.82 -4.53 -1.510 0.77328E+04 107 magnetite 20.13 19.46 -0.67 -0.055 0.11426E+04 128 periclase-Fe 11.64 6.87 -4.77 -1.193 0.81500E+04 142 pyrite -21.23 -22.00 -0.77 -0.182 0.13181E+04 143 pyrrhotite -4.24 -7.00 -2.75 -0.918 0.47040E+04 144 pyrrhotiteFe0.875 -6.00 -8.00 -2.00 -0.734 0.34088E+04 147 quartz -2.98 -4.54 -1.56 -0.519 0.26579E+04 152 rhodochrosite -0.96 -5.49 -4.53 -1.511 0.77389E+04 156 siderite -2.59 -5.01 -2.43 -0.809 0.41426E+04 157 sillimanite 5.32 1.25 -4.07 -0.407 0.69456E+04 178 topaz-H 4.67 1.25 -3.41 -0.310 0.58293E+04 179 tridymite -2.61 -4.54 -1.92 -0.641 0.32852E+04 182 troilite-low -4.39 -7.00 -2.60 -0.868 0.44472E+04 193 akaganeite 7.77 6.30 -1.47 -0.318 0.25082E+04 200 chalcedony -2.79 -4.54 -1.74 -0.581 0.29782E+04 206 nontronite-Ca 3.28 -1.63 -4.90 -0.318 0.83747E+04 209 nontronite-Mg 3.14 -1.77 -4.91 -0.319 0.83883E+04 215 gypsum -4.92 -9.44 -4.52 -1.129 0.77143E+04 234 boehmite 4.43 2.90 -1.53 -0.256 0.26184E+04 236 ferrous-oxide 9.82 6.87 -2.96 -0.740 0.50511E+04 241 silica-amorphous -2.08 -4.54 -2.46 -0.820 0.41984E+04 Calculations done for 100.0000 Deg. C; 100.0000 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 = 100.00 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 = .2509373E-03 Osmotic coef. = 0.9905 True ionic strength = .2501813E-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+ 0.12847E-06 -6.8912 0.12356E-06 -6.9081 0.96177E+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 0.96167E+00 -0.0170 4 SO4-- 0.25231E-04 -4.5981 0.22772E-04 -4.6426 0.90254E+00 -0.0445 5 HCO3- 0.10532E-04 -4.9775 0.10128E-04 -4.9945 0.96169E+00 -0.0170 6 HS- 0.11565E-06 -6.9368 0.11122E-06 -6.9538 0.96167E+00 -0.0170 7 Al+++ 0.18294E-17 -17.7377 0.14849E-17 -17.8283 0.81168E+00 -0.0906 8 H4SiO4 0.29950E-04 -4.5236 0.29950E-04 -4.5236 0.10000E+01 0.0000 9 Ca++ 0.17675E-04 -4.7527 0.15950E-04 -4.7972 0.90242E+00 -0.0446 10 Mg++ 0.22937E-05 -5.6395 0.20698E-05 -5.6841 0.90234E+00 -0.0446 11 Fe++ 0.12641E-06 -6.8982 0.11406E-06 -6.9428 0.90236E+00 -0.0446 12 K+ 0.61549E-06 -6.2108 0.59192E-06 -6.2277 0.96170E+00 -0.0170 13 Na+ 0.16370E-03 -3.7859 0.15743E-03 -3.8029 0.96166E+00 -0.0170 14 Mn++ 0.48816E-07 -7.3114 0.44051E-07 -7.3560 0.90238E+00 -0.0446 15 HPO4-- 0.56579E-08 -8.2473 0.51065E-08 -8.2919 0.90254E+00 -0.0445 16 HSiO3- 0.24593E-06 -6.6092 0.23650E-06 -6.6262 0.96167E+00 -0.0170 17 Ca(HSiO3)+ 0.87883E-10 -10.0561 0.84517E-10 -10.0731 0.96170E+00 -0.0170 18 Mg(HSiO3)+ 0.14193E-10 -10.8479 0.13649E-10 -10.8649 0.96170E+00 -0.0170 19 NaHSiO3,aq 0.59134E-09 -9.2282 0.59134E-09 -9.2282 0.10000E+01 0.0000 20 AlO+ 0.13057E-10 -10.8842 0.12556E-10 -10.9011 0.96170E+00 -0.0170 21 AlOH+2 0.86124E-14 -14.0649 0.77718E-14 -14.1095 0.90239E+00 -0.0446 22 HAlO2,aq 0.20336E-07 -7.6917 0.20336E-07 -7.6917 0.10000E+01 0.0000 23 AlO2- 0.38217E-06 -6.4177 0.36751E-06 -6.4347 0.96163E+00 -0.0170 24 CH4,aq 0.48545E-13 -13.3139 0.48541E-13 -13.3139 0.99992E+00 0.0000 29 CO,aq 0.34507E-15 -15.4621 0.34507E-15 -15.4621 0.10000E+01 0.0000 30 CO2,aq 0.25234E-05 -5.5980 0.25232E-05 -5.5981 0.99992E+00 0.0000 31 CO3-2 0.83980E-08 -8.0758 0.75793E-08 -8.1204 0.90250E+00 -0.0446 32 CaCO3,aq 0.14806E-08 -8.8296 0.14806E-08 -8.8296 0.10000E+01 0.0000 33 Ca(HCO3)+ 0.42326E-08 -8.3734 0.40705E-08 -8.3903 0.96170E+00 -0.0170 34 CaCl+ 0.35064E-08 -8.4551 0.33721E-08 -8.4721 0.96170E+00 -0.0170 35 CaCl2,aq 0.10417E-12 -12.9823 0.10417E-12 -12.9823 0.10000E+01 0.0000 36 CaOH+ 0.94649E-08 -8.0239 0.91024E-08 -8.0408 0.96170E+00 -0.0170 37 CaSO4,aq 0.11317E-06 -6.9463 0.11317E-06 -6.9463 0.10000E+01 0.0000 38 HCl,aq 0.30835E-11 -11.5110 0.30835E-11 -11.5110 0.10000E+01 0.0000 43 FeCl+ 0.24509E-10 -10.6107 0.23571E-10 -10.6276 0.96170E+00 -0.0170 44 FeCl2,aq 0.96990E-19 -19.0133 0.96990E-19 -19.0133 0.10000E+01 0.0000 46 FeO,aq 0.29546E-09 -9.5295 0.29546E-09 -9.5295 0.10000E+01 0.0000 47 FeOH+ 0.31824E-07 -7.4972 0.30606E-07 -7.5142 0.96170E+00 -0.0170 48 HFeO2- 0.26746E-10 -10.5727 0.25721E-10 -10.5897 0.96167E+00 -0.0170 49 FeO+ 0.10628E-11 -11.9736 0.10221E-11 -11.9905 0.96170E+00 -0.0170 50 FeOH+2 0.26041E-16 -16.5843 0.23499E-16 -16.6289 0.90239E+00 -0.0446 51 FeO2- 0.13683E-10 -10.8638 0.13158E-10 -10.8808 0.96167E+00 -0.0170 52 HFeO2,aq 0.20347E-09 -9.6915 0.20347E-09 -9.6915 0.10000E+01 0.0000 53 H2,aq 0.53104E-08 -8.2749 0.53100E-08 -8.2749 0.99992E+00 0.0000 54 KCl,aq 0.13905E-11 -11.8568 0.13905E-11 -11.8568 0.10000E+01 0.0000 55 KHSO4,aq 0.44567E-17 -17.3510 0.44567E-17 -17.3510 0.10000E+01 0.0000 56 KOH,aq 0.20885E-11 -11.6802 0.20885E-11 -11.6802 0.10000E+01 0.0000 57 KSO4- 0.21594E-09 -9.6657 0.20767E-09 -9.6826 0.96167E+00 -0.0170 58 MgCO3,aq 0.48009E-10 -10.3187 0.48009E-10 -10.3187 0.10000E+01 0.0000 59 Mg(HCO3)+ 0.56009E-09 -9.2517 0.53864E-09 -9.2687 0.96170E+00 -0.0170 60 MgCl+ 0.41306E-09 -9.3840 0.39724E-09 -9.4009 0.96170E+00 -0.0170 61 MgOH+ 0.68045E-08 -8.1672 0.65438E-08 -8.1842 0.96170E+00 -0.0170 63 MnO,aq 0.30460E-11 -11.5163 0.30460E-11 -11.5163 0.10000E+01 0.0000 64 MnOH+ 0.11417E-08 -8.9424 0.10980E-08 -8.9594 0.96170E+00 -0.0170 66 HMnO2- 0.19208E-15 -15.7165 0.18472E-15 -15.7335 0.96167E+00 -0.0170 69 MnCl+ 0.36780E-10 -10.4344 0.35372E-10 -10.4513 0.96170E+00 -0.0170 70 MnSO4,aq 0.28429E-09 -9.5462 0.28429E-09 -9.5462 0.10000E+01 0.0000 71 NaCl,aq 0.68200E-08 -8.1662 0.68200E-08 -8.1662 0.10000E+01 0.0000 72 NaOH,aq 0.55986E-09 -9.2519 0.55986E-09 -9.2519 0.10000E+01 0.0000 74 OH- 0.50484E-05 -5.2968 0.48547E-05 -5.3138 0.96163E+00 -0.0170 79 HPO3-2 0.94898E-19 -19.0227 0.85646E-19 -19.0673 0.90250E+00 -0.0446 81 H2PO3- 0.21615E-19 -19.6652 0.20787E-19 -19.6822 0.96167E+00 -0.0170 82 H3PO4,aq 0.50189E-12 -12.2994 0.50189E-12 -12.2994 0.10000E+01 0.0000 83 H2PO4- 0.11503E-07 -7.9392 0.11062E-07 -7.9562 0.96168E+00 -0.0170 84 PO4-3 0.44426E-13 -13.3524 0.36093E-13 -13.4426 0.81243E+00 -0.0902 87 H2P2O7-2 0.10611E-16 -16.9742 0.95767E-17 -17.0188 0.90250E+00 -0.0446 88 HP2O7-3 0.19581E-16 -16.7082 0.15893E-16 -16.7988 0.81169E+00 -0.0906 89 P2O7-4 0.45327E-19 -19.3436 0.31733E-19 -19.4985 0.70009E+00 -0.1548 90 H2S,aq 0.41292E-07 -7.3841 0.41289E-07 -7.3842 0.99992E+00 0.0000 91 S2-2 0.56771E-16 -16.2459 0.51236E-16 -16.2904 0.90250E+00 -0.0446 96 SO2,aq 0.77342E-17 -17.1116 0.77342E-17 -17.1116 0.10000E+01 0.0000 97 SO3-2 0.18263E-13 -13.7384 0.16487E-13 -13.7828 0.90275E+00 -0.0444 98 HSO3- 0.12397E-12 -12.9067 0.11922E-12 -12.9237 0.96167E+00 -0.0170 99 HSO4- 0.27146E-08 -8.5663 0.26107E-08 -8.5832 0.96172E+00 -0.0170 101 S2O3-2 0.12278E-13 -13.9109 0.11081E-13 -13.9554 0.90250E+00 -0.0446 102 HS2O3- 0.25410E-18 -18.5950 0.24436E-18 -18.6120 0.96167E+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+ 0.1284682E-06 -.4239567E-05 -.4273171E-02 0.0000 2 H2O 0.1000000E+01 0.5550825E+02 0.9999844E+06 0.0000 3 Cl- 0.1379635E-03 0.1379743E-03 0.4891538E+01 3.0309 4 SO4-- 0.2523117E-04 0.2534625E-04 0.2434769E+01 9.1737 5 HCO3- 0.1053194E-04 0.1307001E-04 0.7974849E+00 1.9137 6 HS- 0.1156545E-06 0.1582474E-06 0.5233488E-02 -0.0457 7 Al+++ 0.1829380E-17 0.4025208E-06 0.1086047E-01 2.8961 8 H4SiO4 0.2995048E-04 0.3019710E-04 0.2902368E+01 -4.5236 9 Ca++ 0.1767455E-04 0.1780649E-04 0.7136390E+00 9.0190 10 Mg++ 0.2293750E-05 0.2301590E-05 0.5595550E-01 8.1322 11 Fe++ 0.1264069E-06 0.1587962E-06 0.8868172E-02 6.8734 12 K+ 0.6154925E-06 0.6157119E-06 0.2407524E-01 0.6804 13 Na+ 0.1637034E-03 0.1637114E-03 0.3763641E+01 3.1052 14 Mn++ 0.4881615E-07 0.5028198E-07 0.2762354E-02 6.4602 15 HPO4-- 0.5657914E-08 0.1716099E-07 0.1647073E-02 5.5244 Component Tot moles Aq. moles Solid moles Gas moles 1 H+ -.3497969E-04 -.4239562E-05 -.3074013E-04 0.0000000E+00 2 H2O 0.5550821E+02 0.5550819E+02 0.2001619E-04 0.0000000E+00 3 Cl- 0.1379742E-03 0.1379742E-03 0.0000000E+00 0.0000000E+00 4 SO4-- 0.2558484E-04 0.2534622E-04 0.2386161E-06 0.0000000E+00 5 HCO3- 0.1307000E-04 0.1307000E-04 0.0000000E+00 0.0000000E+00 6 HS- -.8036889E-07 0.1582472E-06 -.2386161E-06 0.0000000E+00 7 Al+++ 0.9456151E-05 0.4025204E-06 0.9053630E-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 0.1587960E-06 0.1908929E-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: 0.1694E-20 Mass of aqueous solution: 0.100001E+04 g Temperature = 100.00 C Pressure = 100.00 bar Mixer frac. = 0.0029000 Log Log Vol Gas or mineral Moles Moles Grams Grams Wt.% (cm3) diaspore 0.9054E-05 -5.043 0.5431E-03 -3.265 78.09 0.1617E-03 hematite 0.9545E-06 -6.020 0.1524E-03 -3.817 21.91 0.2889E-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: 1.0522 bar Gas Mole fraction phi Fugacity Partial P(bar) H2O,gas 0.9997E+00 0.9855 0.1037E+01 0.1052E+01 CO2,gas 0.2725E-03 1.0073 0.2888E-03 0.2867E-03 CH4,gas 0.7202E-10 1.0129 0.7676E-10 0.7578E-10 H2,gas 0.6918E-05 1.0006 0.7283E-05 0.7279E-05 H2S,gas 0.1149E-05 0.9959 0.1204E-05 0.1209E-05 S2,gas 0.9732E-21 1.0000 0.1024E-20 0.1024E-20 CO,gas 0.5178E-12 1.0000 0.5449E-12 0.5449E-12 SO3,gas 0.1235E-33 1.0000 0.1300E-33 0.1300E-33 SO2,gas 0.3403E-16 1.0000 0.3581E-16 0.3581E-16 HCl,gas 0.5174E-14 1.0000 0.5444E-14 0.5444E-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 2.90 2.90 0.00 0.000 0.37914E-11 90 hematite 12.60 12.60 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 1.98 0.00 -1.98 -1.984 0.33882E+04 0.016 2 CO2,gas -6.36 -11.90 -5.54 -1.846 0.94583E+04 -3.539 3 CH4,gas 4.81 -7.31 -12.11 -3.029 0.20686E+05 -10.115 4 H2,gas 8.29 1.15 -7.14 -4.079 0.12187E+05 -5.138 5 H2S,gas -5.94 -13.86 -7.92 -3.960 0.13522E+05 -5.919 6 S2,gas -7.03 -30.02 -22.99 -3.537 0.39254E+05 -20.990 7 CO,gas 3.51 -10.75 -14.26 -4.389 0.24355E+05 -12.264 8 SO3,gas 17.43 -18.46 -35.89 -8.972 0.61275E+05 -33.886 9 SO2,gas 1.14 -17.31 -18.45 -4.919 0.31496E+05 -16.446 10 HCl,gas 5.48 -10.79 -16.26 -8.132 0.27770E+05 -14.264 21 andalusite 5.06 1.27 -3.79 -0.379 0.64778E+04 24 anhydrite -5.28 -9.44 -4.16 -2.080 0.71032E+04 32 apatite-OH -17.99 -21.23 -3.24 -0.249 0.55331E+04 35 aragonite 0.99 -2.88 -3.87 -1.290 0.66076E+04 36 brucite 12.58 8.13 -4.44 -0.889 0.75887E+04 37 calcite 0.83 -2.88 -3.72 -1.239 0.63462E+04 40 carpholite-Mg 8.65 4.88 -3.77 -0.252 0.64426E+04 41 carpholite-Fe 6.78 3.62 -3.16 -0.211 0.54033E+04 47 daphnite 29.09 26.59 -2.51 -0.078 0.42785E+04 50 chloritoid-Mg 13.26 9.40 -3.86 -0.257 0.65917E+04 51 chloritoid-Fe 9.24 8.14 -1.10 -0.073 0.18725E+04 52 chloritoid-Mn 11.46 7.73 -3.73 -0.249 0.63764E+04 54 coesite -2.37 -4.52 -2.15 -0.718 0.36783E+04 59 corundum 8.43 5.79 -2.64 -0.240 0.45099E+04 61 cristobalite -2.55 -4.52 -1.97 -0.658 0.33712E+04 78 fayalite 14.08 9.22 -4.86 -0.694 0.82910E+04 83 gibbsite 4.10 2.90 -1.20 -0.172 0.20512E+04 87 greenalite 16.19 11.57 -4.62 -0.385 0.78905E+04 92 hercynite 17.34 12.67 -4.68 -0.312 0.79891E+04 98 kaolinite -1.27 -3.26 -1.98 -0.180 0.33840E+04 99 kyanite 4.93 1.27 -3.66 -0.366 0.62546E+04 102 lawsonite 9.68 5.76 -3.91 -0.261 0.66837E+04 106 magnesite 0.71 -3.77 -4.48 -1.493 0.76490E+04 107 magnetite 20.13 19.47 -0.66 -0.054 0.11299E+04 128 periclase-Fe 11.64 6.87 -4.77 -1.191 0.81373E+04 142 pyrite -21.23 -22.00 -0.77 -0.182 0.13222E+04 143 pyrrhotite -4.24 -6.99 -2.74 -0.915 0.46870E+04 144 pyrrhotiteFe0.875 -6.00 -7.99 -1.99 -0.732 0.33965E+04 147 quartz -2.98 -4.52 -1.54 -0.514 0.26322E+04 152 rhodochrosite -0.96 -5.44 -4.48 -1.495 0.76560E+04 156 siderite -2.59 -5.03 -2.44 -0.814 0.41688E+04 157 sillimanite 5.32 1.27 -4.05 -0.405 0.69200E+04 178 topaz-H 4.67 1.27 -3.40 -0.309 0.58037E+04 179 tridymite -2.61 -4.52 -1.91 -0.636 0.32595E+04 182 troilite-low -4.39 -6.99 -2.59 -0.865 0.44301E+04 193 akaganeite 7.77 6.30 -1.47 -0.318 0.25082E+04 200 chalcedony -2.79 -4.52 -1.73 -0.576 0.29526E+04 206 nontronite-Ca 3.28 -1.56 -4.84 -0.314 0.82638E+04 209 nontronite-Mg 3.14 -1.71 -4.85 -0.314 0.82739E+04 215 gypsum -4.92 -9.44 -4.52 -1.129 0.77100E+04 234 boehmite 4.43 2.90 -1.53 -0.256 0.26184E+04 236 ferrous-oxide 9.82 6.87 -2.95 -0.738 0.50384E+04 241 silica-amorphous -2.08 -4.52 -2.44 -0.815 0.41727E+04 Calculations done for 100.0000 Deg. C; 100.0000 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 = 100.00 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 = .2514754E-03 Osmotic coef. = 0.9905 True ionic strength = .2508542E-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+ 0.12058E-06 -6.9187 0.11596E-06 -6.9357 0.96175E+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 0.96164E+00 -0.0170 4 SO4-- 0.25223E-04 -4.5982 0.22762E-04 -4.6428 0.90244E+00 -0.0446 5 HCO3- 0.10658E-04 -4.9723 0.10249E-04 -4.9893 0.96166E+00 -0.0170 6 HS- 0.12350E-06 -6.9083 0.11876E-06 -6.9253 0.96164E+00 -0.0170 7 Al+++ 0.15128E-17 -17.8202 0.12276E-17 -17.9109 0.81148E+00 -0.0907 8 H4SiO4 0.30967E-04 -4.5091 0.30967E-04 -4.5091 0.10000E+01 0.0000 9 Ca++ 0.17788E-04 -4.7499 0.16050E-04 -4.7945 0.90232E+00 -0.0446 10 Mg++ 0.23724E-05 -5.6248 0.21405E-05 -5.6695 0.90224E+00 -0.0447 11 Fe++ 0.11318E-06 -6.9462 0.10212E-06 -6.9909 0.90226E+00 -0.0447 12 K+ 0.63672E-06 -6.1961 0.61231E-06 -6.2130 0.96167E+00 -0.0170 13 Na+ 0.16383E-03 -3.7856 0.15754E-03 -3.8026 0.96164E+00 -0.0170 14 Mn++ 0.50424E-07 -7.2974 0.45497E-07 -7.3420 0.90228E+00 -0.0447 15 HPO4-- 0.61048E-08 -8.2143 0.55093E-08 -8.2589 0.90244E+00 -0.0446 16 HSiO3- 0.27093E-06 -6.5671 0.26054E-06 -6.5841 0.96164E+00 -0.0170 17 Ca(HSiO3)+ 0.97428E-10 -10.0113 0.93694E-10 -10.0283 0.96167E+00 -0.0170 18 Mg(HSiO3)+ 0.16170E-10 -10.7913 0.15550E-10 -10.8083 0.96167E+00 -0.0170 19 NaHSiO3,aq 0.65192E-09 -9.1858 0.65192E-09 -9.1858 0.10000E+01 0.0000 20 AlO+ 0.12255E-10 -10.9117 0.11785E-10 -10.9287 0.96167E+00 -0.0170 21 AlOH+2 0.75872E-14 -14.1199 0.68459E-14 -14.1646 0.90229E+00 -0.0447 22 HAlO2,aq 0.20336E-07 -7.6917 0.20336E-07 -7.6917 0.10000E+01 0.0000 23 AlO2- 0.40721E-06 -6.3902 0.39157E-06 -6.4072 0.96161E+00 -0.0170 24 CH4,aq 0.52478E-13 -13.2800 0.52474E-13 -13.2801 0.99992E+00 0.0000 29 CO,aq 0.33851E-15 -15.4704 0.33851E-15 -15.4704 0.10000E+01 0.0000 30 CO2,aq 0.23965E-05 -5.6204 0.23963E-05 -5.6205 0.99992E+00 0.0000 31 CO3-2 0.90557E-08 -8.0431 0.81719E-08 -8.0877 0.90240E+00 -0.0446 32 CaCO3,aq 0.16064E-08 -8.7941 0.16064E-08 -8.7941 0.10000E+01 0.0000 33 Ca(HCO3)+ 0.43103E-08 -8.3655 0.41451E-08 -8.3825 0.96167E+00 -0.0170 34 CaCl+ 0.35285E-08 -8.4524 0.33932E-08 -8.4694 0.96167E+00 -0.0170 35 CaCl2,aq 0.10482E-12 -12.9796 0.10482E-12 -12.9796 0.10000E+01 0.0000 36 CaOH+ 0.10149E-07 -7.9936 0.97596E-08 -8.0106 0.96167E+00 -0.0170 37 CaSO4,aq 0.11383E-06 -6.9437 0.11383E-06 -6.9437 0.10000E+01 0.0000 38 HCl,aq 0.28939E-11 -11.5385 0.28939E-11 -11.5385 0.10000E+01 0.0000 43 FeCl+ 0.21942E-10 -10.6587 0.21101E-10 -10.6757 0.96167E+00 -0.0170 44 FeCl2,aq 0.86824E-19 -19.0614 0.86824E-19 -19.0614 0.10000E+01 0.0000 46 FeO,aq 0.30028E-09 -9.5225 0.30028E-09 -9.5225 0.10000E+01 0.0000 47 FeOH+ 0.30357E-07 -7.5177 0.29193E-07 -7.5347 0.96167E+00 -0.0170 48 HFeO2- 0.28963E-10 -10.5382 0.27852E-10 -10.5551 0.96164E+00 -0.0170 49 FeO+ 0.99750E-12 -12.0011 0.95927E-12 -12.0181 0.96167E+00 -0.0170 50 FeOH+2 0.22941E-16 -16.6394 0.20700E-16 -16.6840 0.90229E+00 -0.0447 51 FeO2- 0.14579E-10 -10.8363 0.14020E-10 -10.8533 0.96164E+00 -0.0170 52 HFeO2,aq 0.20347E-09 -9.6915 0.20347E-09 -9.6915 0.10000E+01 0.0000 53 H2,aq 0.54851E-08 -8.2608 0.54847E-08 -8.2608 0.99992E+00 0.0000 54 KCl,aq 0.14384E-11 -11.8421 0.14384E-11 -11.8421 0.10000E+01 0.0000 55 KHSO4,aq 0.43250E-17 -17.3640 0.43250E-17 -17.3640 0.10000E+01 0.0000 56 KOH,aq 0.23019E-11 -11.6379 0.23019E-11 -11.6379 0.10000E+01 0.0000 57 KSO4- 0.22329E-09 -9.6511 0.21473E-09 -9.6681 0.96164E+00 -0.0170 58 MgCO3,aq 0.53532E-10 -10.2714 0.53532E-10 -10.2714 0.10000E+01 0.0000 59 Mg(HCO3)+ 0.58615E-09 -9.2320 0.56368E-09 -9.2490 0.96167E+00 -0.0170 60 MgCl+ 0.42717E-09 -9.3694 0.41080E-09 -9.3864 0.96167E+00 -0.0170 61 MgOH+ 0.74979E-08 -8.1251 0.72105E-08 -8.1420 0.96167E+00 -0.0170 63 MnO,aq 0.35715E-11 -11.4472 0.35715E-11 -11.4472 0.10000E+01 0.0000 64 MnOH+ 0.12565E-08 -8.9009 0.12083E-08 -8.9178 0.96167E+00 -0.0170 65 MnO2-2 0.10178E-19 -19.9923 0.91849E-20 -20.0369 0.90240E+00 -0.0446 66 HMnO2- 0.23998E-15 -15.6198 0.23077E-15 -15.6368 0.96164E+00 -0.0170 69 MnCl+ 0.37988E-10 -10.4204 0.36532E-10 -10.4373 0.96167E+00 -0.0170 70 MnSO4,aq 0.29349E-09 -9.5324 0.29349E-09 -9.5324 0.10000E+01 0.0000 71 NaCl,aq 0.68249E-08 -8.1659 0.68249E-08 -8.1659 0.10000E+01 0.0000 72 NaOH,aq 0.59696E-09 -9.2241 0.59696E-09 -9.2241 0.10000E+01 0.0000 74 OH- 0.53791E-05 -5.2693 0.51726E-05 -5.2863 0.96161E+00 -0.0170 79 HPO3-2 0.10576E-18 -18.9757 0.95440E-19 -19.0203 0.90240E+00 -0.0446 81 H2PO3- 0.22608E-19 -19.6457 0.21740E-19 -19.6627 0.96164E+00 -0.0170 82 H3PO4,aq 0.47696E-12 -12.3215 0.47696E-12 -12.3215 0.10000E+01 0.0000 83 H2PO4- 0.11647E-07 -7.9338 0.11201E-07 -7.9508 0.96165E+00 -0.0170 84 PO4-3 0.51081E-13 -13.2917 0.41490E-13 -13.3821 0.81223E+00 -0.0903 87 H2P2O7-2 0.10881E-16 -16.9633 0.98189E-17 -17.0079 0.90240E+00 -0.0446 88 HP2O7-3 0.21396E-16 -16.6697 0.17362E-16 -16.7604 0.81149E+00 -0.0907 89 P2O7-4 0.52782E-19 -19.2775 0.36936E-19 -19.4325 0.69978E+00 -0.1550 90 H2S,aq 0.41382E-07 -7.3832 0.41379E-07 -7.3832 0.99992E+00 0.0000 91 S2-2 0.62676E-16 -16.2029 0.56559E-16 -16.2475 0.90240E+00 -0.0446 96 SO2,aq 0.70338E-17 -17.1528 0.70338E-17 -17.1528 0.10000E+01 0.0000 97 SO3-2 0.18858E-13 -13.7245 0.17022E-13 -13.7690 0.90265E+00 -0.0445 98 HSO3- 0.12013E-12 -12.9204 0.11552E-12 -12.9373 0.96164E+00 -0.0170 99 HSO4- 0.25467E-08 -8.5940 0.24492E-08 -8.6110 0.96169E+00 -0.0170 101 S2O3-2 0.12301E-13 -13.9101 0.11100E-13 -13.9547 0.90240E+00 -0.0446 102 HS2O3- 0.23890E-18 -18.6218 0.22974E-18 -18.6388 0.96164E+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+ 0.1205764E-06 -.4831064E-05 -.4869357E-02 0.0000 2 H2O 0.1000000E+01 0.5550825E+02 0.9999843E+06 0.0000 3 Cl- 0.1379635E-03 0.1379743E-03 0.4891538E+01 3.0585 4 SO4-- 0.2522272E-04 0.2533827E-04 0.2434002E+01 9.2286 5 HCO3- 0.1065787E-04 0.1307001E-04 0.7974849E+00 1.9464 6 HS- 0.1234990E-06 0.1662252E-06 0.5497326E-02 0.0104 7 Al+++ 0.1512784E-17 0.4275559E-06 0.1153594E-01 2.8961 8 H4SiO4 0.3096669E-04 0.3123838E-04 0.3002449E+01 -4.5091 9 Ca++ 0.1778798E-04 0.1792151E-04 0.7182485E+00 9.0768 10 Mg++ 0.2372374E-05 0.2380955E-05 0.5788499E-01 8.2019 11 Fe++ 0.1131767E-06 0.1441037E-06 0.8047652E-02 6.8804 12 K+ 0.6367164E-06 0.6369434E-06 0.2490542E-01 0.7226 13 Na+ 0.1638288E-03 0.1638369E-03 0.3766527E+01 3.1331 14 Mn++ 0.5042435E-07 0.5201585E-07 0.2857608E-02 6.5293 15 HPO4-- 0.6104824E-08 0.1775275E-07 0.1703868E-02 5.6124 Component Tot moles Aq. moles Solid moles Gas moles 1 H+ -.3663555E-04 -.4831059E-05 -.3180449E-04 0.0000000E+00 2 H2O 0.5550821E+02 0.5550819E+02 0.2070426E-04 0.0000000E+00 3 Cl- 0.1379742E-03 0.1379742E-03 0.0000000E+00 0.0000000E+00 4 SO4-- 0.2558761E-04 0.2533824E-04 0.2493653E-06 0.0000000E+00 5 HCO3- 0.1307000E-04 0.1307000E-04 0.0000000E+00 0.0000000E+00 6 HS- -.8314023E-07 0.1662250E-06 -.2493653E-06 0.0000000E+00 7 Al+++ 0.9782225E-05 0.4275554E-06 0.9354669E-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 0.1441036E-06 0.1994922E-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: 0.3388E-20 Mass of aqueous solution: 0.100001E+04 g Temperature = 100.00 C Pressure = 100.00 bar Mixer frac. = 0.0030000 Log Log Vol Gas or mineral Moles Moles Grams Grams Wt.% (cm3) diaspore 0.9355E-05 -5.029 0.5612E-03 -3.251 77.89 0.1671E-03 hematite 0.9975E-06 -6.001 0.1593E-03 -3.798 22.11 0.3019E-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 = 0.000720 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: 1.0522 bar Gas Mole fraction phi Fugacity Partial P(bar) H2O,gas 0.9997E+00 0.9855 0.1037E+01 0.1052E+01 CO2,gas 0.2588E-03 1.0073 0.2743E-03 0.2723E-03 CH4,gas 0.7786E-10 1.0129 0.8298E-10 0.8192E-10 H2,gas 0.7145E-05 1.0006 0.7523E-05 0.7518E-05 H2S,gas 0.1152E-05 0.9959 0.1207E-05 0.1212E-05 S2,gas 0.9162E-21 1.0000 0.9640E-21 0.9640E-21 CO,gas 0.5080E-12 1.0000 0.5345E-12 0.5345E-12 SO3,gas 0.1088E-33 1.0000 0.1144E-33 0.1144E-33 SO2,gas 0.3095E-16 1.0000 0.3257E-16 0.3257E-16 HCl,gas 0.4856E-14 1.0000 0.5110E-14 0.5110E-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 2.90 2.90 0.00 0.000 -0.22748E-11 90 hematite 12.60 12.60 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 1.98 0.00 -1.98 -1.984 0.33882E+04 0.016 2 CO2,gas -6.36 -11.92 -5.56 -1.854 0.94966E+04 -3.562 3 CH4,gas 4.81 -7.27 -12.08 -3.020 0.20628E+05 -10.081 4 H2,gas 8.29 1.16 -7.12 -4.071 0.12163E+05 -5.124 5 H2S,gas -5.94 -13.86 -7.92 -3.959 0.13520E+05 -5.918 6 S2,gas -7.03 -30.05 -23.02 -3.541 0.39299E+05 -21.016 7 CO,gas 3.51 -10.76 -14.27 -4.391 0.24369E+05 -12.272 8 SO3,gas 17.43 -18.51 -35.94 -8.985 0.61369E+05 -33.941 9 SO2,gas 1.14 -17.35 -18.49 -4.930 0.31566E+05 -16.487 10 HCl,gas 5.48 -10.81 -16.29 -8.146 0.27817E+05 -14.292 21 andalusite 5.06 1.28 -3.78 -0.378 0.64531E+04 24 anhydrite -5.28 -9.44 -4.16 -2.079 0.70989E+04 32 apatite-OH -17.99 -21.01 -3.02 -0.232 0.51528E+04 35 aragonite 0.99 -2.85 -3.83 -1.278 0.65471E+04 36 brucite 12.58 8.20 -4.37 -0.875 0.74697E+04 37 calcite 0.83 -2.85 -3.68 -1.227 0.62857E+04 40 carpholite-Mg 8.65 4.98 -3.67 -0.245 0.62742E+04 41 carpholite-Fe 6.78 3.65 -3.13 -0.209 0.53418E+04 47 daphnite 29.09 26.67 -2.43 -0.076 0.41443E+04 50 chloritoid-Mg 13.26 9.48 -3.78 -0.252 0.64479E+04 51 chloritoid-Fe 9.24 8.16 -1.08 -0.072 0.18358E+04 52 chloritoid-Mn 11.46 7.81 -3.65 -0.243 0.62336E+04 54 coesite -2.37 -4.51 -2.14 -0.713 0.36536E+04 59 corundum 8.43 5.79 -2.64 -0.240 0.45099E+04 61 cristobalite -2.55 -4.51 -1.96 -0.653 0.33465E+04 78 fayalite 14.08 9.25 -4.83 -0.690 0.82423E+04 83 gibbsite 4.10 2.90 -1.20 -0.172 0.20512E+04 87 greenalite 16.19 11.62 -4.57 -0.381 0.78050E+04 92 hercynite 17.34 12.67 -4.67 -0.311 0.79771E+04 98 kaolinite -1.27 -3.23 -1.95 -0.178 0.33345E+04 99 kyanite 4.93 1.28 -3.65 -0.365 0.62298E+04 102 lawsonite 9.68 5.85 -3.83 -0.255 0.65355E+04 106 magnesite 0.71 -3.72 -4.43 -1.477 0.75682E+04 107 magnetite 20.13 19.48 -0.65 -0.053 0.11179E+04 128 periclase-Fe 11.64 6.88 -4.76 -1.190 0.81253E+04 142 pyrite -21.23 -22.00 -0.78 -0.183 0.13310E+04 143 pyrrhotite -4.24 -6.98 -2.74 -0.912 0.46733E+04 144 pyrrhotiteFe0.875 -6.00 -7.98 -1.98 -0.730 0.33874E+04 147 quartz -2.98 -4.51 -1.53 -0.509 0.26075E+04 152 rhodochrosite -0.96 -5.40 -4.44 -1.479 0.75763E+04 156 siderite -2.59 -5.04 -2.46 -0.819 0.41950E+04 157 sillimanite 5.32 1.28 -4.04 -0.404 0.68952E+04 178 topaz-H 4.67 1.28 -3.38 -0.308 0.57789E+04 179 tridymite -2.61 -4.51 -1.89 -0.631 0.32348E+04 182 troilite-low -4.39 -6.98 -2.59 -0.862 0.44165E+04 193 akaganeite 7.77 6.30 -1.47 -0.318 0.25082E+04 200 chalcedony -2.79 -4.51 -1.71 -0.572 0.29278E+04 206 nontronite-Ca 3.28 -1.50 -4.78 -0.310 0.81567E+04 209 nontronite-Mg 3.14 -1.64 -4.78 -0.310 0.81635E+04 215 gypsum -4.92 -9.44 -4.51 -1.128 0.77057E+04 234 boehmite 4.43 2.90 -1.53 -0.256 0.26184E+04 236 ferrous-oxide 9.82 6.88 -2.94 -0.736 0.50264E+04 241 silica-amorphous -2.08 -4.51 -2.43 -0.810 0.41480E+04 Calculations done for 100.0000 Deg. C; 100.0000 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 = 100.00 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 = .2520209E-03 Osmotic coef. = 0.9905 True ionic strength = .2515331E-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+ 0.11340E-06 -6.9454 0.10906E-06 -6.9623 0.96172E+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 0.96161E+00 -0.0170 4 SO4-- 0.25214E-04 -4.5983 0.22752E-04 -4.6430 0.90234E+00 -0.0446 5 HCO3- 0.10775E-04 -4.9676 0.10362E-04 -4.9846 0.96164E+00 -0.0170 6 HS- 0.13124E-06 -6.8819 0.12620E-06 -6.8989 0.96161E+00 -0.0170 7 Al+++ 0.12585E-17 -17.9001 0.10210E-17 -17.9910 0.81128E+00 -0.0908 8 H4SiO4 0.31981E-04 -4.4951 0.31981E-04 -4.4951 0.10000E+01 0.0000 9 Ca++ 0.17901E-04 -4.7471 0.16151E-04 -4.7918 0.90222E+00 -0.0447 10 Mg++ 0.24510E-05 -5.6107 0.22111E-05 -5.6554 0.90214E+00 -0.0447 11 Fe++ 0.10165E-06 -6.9929 0.91706E-07 -7.0376 0.90216E+00 -0.0447 12 K+ 0.65794E-06 -6.1818 0.63270E-06 -6.1988 0.96164E+00 -0.0170 13 Na+ 0.16395E-03 -3.7853 0.15766E-03 -3.8023 0.96161E+00 -0.0170 14 Mn++ 0.52025E-07 -7.2838 0.46936E-07 -7.3285 0.90217E+00 -0.0447 15 HPO4-- 0.65653E-08 -8.1827 0.59241E-08 -8.2274 0.90234E+00 -0.0446 16 HSiO3- 0.29754E-06 -6.5265 0.28612E-06 -6.5435 0.96161E+00 -0.0170 17 Ca(HSiO3)+ 0.10767E-09 -9.9679 0.10354E-09 -9.9849 0.96165E+00 -0.0170 18 Mg(HSiO3)+ 0.18344E-10 -10.7365 0.17640E-10 -10.7535 0.96165E+00 -0.0170 19 NaHSiO3,aq 0.71645E-09 -9.1448 0.71645E-09 -9.1448 0.10000E+01 0.0000 20 AlO+ 0.11525E-10 -10.9384 0.11083E-10 -10.9553 0.96165E+00 -0.0170 21 AlOH+2 0.67110E-14 -14.1732 0.60546E-14 -14.2179 0.90219E+00 -0.0447 22 HAlO2,aq 0.20336E-07 -7.6917 0.20336E-07 -7.6917 0.10000E+01 0.0000 23 AlO2- 0.43301E-06 -6.3635 0.41638E-06 -6.3805 0.96158E+00 -0.0170 24 CH4,aq 0.56400E-13 -13.2487 0.56396E-13 -13.2488 0.99992E+00 0.0000 29 CO,aq 0.33185E-15 -15.4791 0.33185E-15 -15.4791 0.10000E+01 0.0000 30 CO2,aq 0.22785E-05 -5.6424 0.22783E-05 -5.6424 0.99992E+00 0.0000 31 CO3-2 0.97359E-08 -8.0116 0.87848E-08 -8.0563 0.90230E+00 -0.0446 32 CaCO3,aq 0.17377E-08 -8.7600 0.17377E-08 -8.7600 0.10000E+01 0.0000 33 Ca(HCO3)+ 0.43849E-08 -8.3580 0.42167E-08 -8.3750 0.96165E+00 -0.0170 34 CaCl+ 0.35506E-08 -8.4497 0.34144E-08 -8.4667 0.96165E+00 -0.0170 35 CaCl2,aq 0.10547E-12 -12.9769 0.10547E-12 -12.9769 0.10000E+01 0.0000 36 CaOH+ 0.10859E-07 -7.9642 0.10443E-07 -7.9812 0.96165E+00 -0.0170 37 CaSO4,aq 0.11449E-06 -6.9412 0.11449E-06 -6.9412 0.10000E+01 0.0000 38 HCl,aq 0.27214E-11 -11.5652 0.27214E-11 -11.5652 0.10000E+01 0.0000 43 FeCl+ 0.19705E-10 -10.7054 0.18949E-10 -10.7224 0.96165E+00 -0.0170 44 FeCl2,aq 0.77969E-19 -19.1081 0.77969E-19 -19.1081 0.10000E+01 0.0000 46 FeO,aq 0.30492E-09 -9.5158 0.30492E-09 -9.5158 0.10000E+01 0.0000 47 FeOH+ 0.28990E-07 -7.5377 0.27878E-07 -7.5547 0.96165E+00 -0.0170 48 HFeO2- 0.31274E-10 -10.5048 0.30073E-10 -10.5218 0.96161E+00 -0.0170 49 FeO+ 0.93811E-12 -12.0277 0.90213E-12 -12.0447 0.96165E+00 -0.0170 50 FeOH+2 0.20292E-16 -16.6927 0.18307E-16 -16.7374 0.90219E+00 -0.0447 51 FeO2- 0.15503E-10 -10.8096 0.14908E-10 -10.8266 0.96161E+00 -0.0170 52 HFeO2,aq 0.20347E-09 -9.6915 0.20347E-09 -9.6915 0.10000E+01 0.0000 53 H2,aq 0.56558E-08 -8.2475 0.56554E-08 -8.2475 0.99992E+00 0.0000 54 KCl,aq 0.14863E-11 -11.8279 0.14863E-11 -11.8279 0.10000E+01 0.0000 55 KHSO4,aq 0.42010E-17 -17.3766 0.42010E-17 -17.3766 0.10000E+01 0.0000 56 KOH,aq 0.25292E-11 -11.5970 0.25292E-11 -11.5970 0.10000E+01 0.0000 57 KSO4- 0.23063E-09 -9.6371 0.22178E-09 -9.6541 0.96161E+00 -0.0170 58 MgCO3,aq 0.59446E-10 -10.2259 0.59446E-10 -10.2259 0.10000E+01 0.0000 59 Mg(HCO3)+ 0.61215E-09 -9.2131 0.58867E-09 -9.2301 0.96165E+00 -0.0170 60 MgCl+ 0.44127E-09 -9.3553 0.42435E-09 -9.3723 0.96165E+00 -0.0170 61 MgOH+ 0.82362E-08 -8.0843 0.79203E-08 -8.1013 0.96165E+00 -0.0170 63 MnO,aq 0.41660E-11 -11.3803 0.41660E-11 -11.3803 0.10000E+01 0.0000 64 MnOH+ 0.13783E-08 -8.8606 0.13255E-08 -8.8776 0.96165E+00 -0.0170 65 MnO2-2 0.13426E-19 -19.8721 0.12114E-19 -19.9167 0.90230E+00 -0.0446 66 HMnO2- 0.29766E-15 -15.5263 0.28624E-15 -15.5433 0.96161E+00 -0.0170 69 MnCl+ 0.39190E-10 -10.4068 0.37687E-10 -10.4238 0.96165E+00 -0.0170 70 MnSO4,aq 0.30264E-09 -9.5191 0.30264E-09 -9.5191 0.10000E+01 0.0000 71 NaCl,aq 0.68297E-08 -8.1656 0.68297E-08 -8.1656 0.10000E+01 0.0000 72 NaOH,aq 0.63524E-09 -9.1971 0.63524E-09 -9.1971 0.10000E+01 0.0000 74 OH- 0.57200E-05 -5.2426 0.55002E-05 -5.2596 0.96158E+00 -0.0170 79 HPO3-2 0.11728E-18 -18.9308 0.10582E-18 -18.9754 0.90230E+00 -0.0446 81 H2PO3- 0.23574E-19 -19.6276 0.22669E-19 -19.6446 0.96161E+00 -0.0170 82 H3PO4,aq 0.45360E-12 -12.3433 0.45360E-12 -12.3433 0.10000E+01 0.0000 83 H2PO4- 0.11779E-07 -7.9289 0.11327E-07 -7.9459 0.96163E+00 -0.0170 84 PO4-3 0.58422E-13 -13.2334 0.47440E-13 -13.3239 0.81202E+00 -0.0904 87 H2P2O7-2 0.11128E-16 -16.9536 0.10041E-16 -16.9982 0.90230E+00 -0.0446 88 HP2O7-3 0.23271E-16 -16.6332 0.18880E-16 -16.7240 0.81128E+00 -0.0908 89 P2O7-4 0.61058E-19 -19.2143 0.42708E-19 -19.3695 0.69947E+00 -0.1552 90 H2S,aq 0.41354E-07 -7.3835 0.41351E-07 -7.3835 0.99992E+00 0.0000 91 S2-2 0.68643E-16 -16.1634 0.61937E-16 -16.2081 0.90230E+00 -0.0446 96 SO2,aq 0.64115E-17 -17.1930 0.64115E-17 -17.1930 0.10000E+01 0.0000 97 SO3-2 0.19439E-13 -13.7113 0.17544E-13 -13.7559 0.90255E+00 -0.0445 98 HSO3- 0.11644E-12 -12.9339 0.11197E-12 -12.9509 0.96161E+00 -0.0170 99 HSO4- 0.23940E-08 -8.6209 0.23023E-08 -8.6378 0.96166E+00 -0.0170 101 S2O3-2 0.12289E-13 -13.9105 0.11088E-13 -13.9551 0.90230E+00 -0.0446 102 HS2O3- 0.22443E-18 -18.6489 0.21581E-18 -18.6659 0.96161E+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+ 0.1133970E-06 -.5428258E-05 -.5471283E-02 0.0000 2 H2O 0.1000000E+01 0.5550825E+02 0.9999842E+06 0.0000 3 Cl- 0.1379635E-03 0.1379743E-03 0.4891537E+01 3.0851 4 SO4-- 0.2521449E-04 0.2533052E-04 0.2433257E+01 9.2817 5 HCO3- 0.1077500E-04 0.1307002E-04 0.7974848E+00 1.9778 6 HS- 0.1312364E-06 0.1739773E-06 0.5753697E-02 0.0634 7 Al+++ 0.1258544E-17 0.4533606E-06 0.1223218E-01 2.8961 8 H4SiO4 0.3198128E-04 0.3227966E-04 0.3102530E+01 -4.4951 9 Ca++ 0.1790139E-04 0.1803652E-04 0.7228579E+00 9.1329 10 Mg++ 0.2450953E-05 0.2460320E-05 0.5981449E-01 8.2693 11 Fe++ 0.1016519E-06 0.1312179E-06 0.7328024E-02 6.8871 12 K+ 0.6579402E-06 0.6581749E-06 0.2573560E-01 0.7635 13 Na+ 0.1639543E-03 0.1639624E-03 0.3769412E+01 3.1601 14 Mn++ 0.5202537E-07 0.5374971E-07 0.2952861E-02 6.5962 15 HPO4-- 0.6565263E-08 0.1834451E-07 0.1760664E-02 5.6973 Component Tot moles Aq. moles Solid moles Gas moles 1 H+ -.3829140E-04 -.5428252E-05 -.3286315E-04 0.0000000E+00 2 H2O 0.5550821E+02 0.5550819E+02 0.2138899E-04 0.0000000E+00 3 Cl- 0.1379742E-03 0.1379742E-03 0.0000000E+00 0.0000000E+00 4 SO4-- 0.2559038E-04 0.2533049E-04 0.2598886E-06 0.0000000E+00 5 HCO3- 0.1307000E-04 0.1307000E-04 0.0000000E+00 0.0000000E+00 6 HS- -.8591157E-07 0.1739770E-06 -.2598886E-06 0.0000000E+00 7 Al+++ 0.1010830E-04 0.4533601E-06 0.9654939E-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 0.1312177E-06 0.2079109E-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: 0.5929E-20 Mass of aqueous solution: 0.100001E+04 g Temperature = 100.00 C Pressure = 100.00 bar Mixer frac. = 0.0031000 Log Log Vol Gas or mineral Moles Moles Grams Grams Wt.% (cm3) diaspore 0.9655E-05 -5.015 0.5792E-03 -3.237 77.72 0.1724E-03 hematite 0.1040E-05 -5.983 0.1660E-03 -3.780 22.28 0.3147E-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 = 0.000745 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: 1.0522 bar Gas Mole fraction phi Fugacity Partial P(bar) H2O,gas 0.9997E+00 0.9855 0.1037E+01 0.1052E+01 CO2,gas 0.2461E-03 1.0073 0.2608E-03 0.2589E-03 CH4,gas 0.8368E-10 1.0129 0.8918E-10 0.8805E-10 H2,gas 0.7368E-05 1.0006 0.7757E-05 0.7752E-05 H2S,gas 0.1151E-05 0.9959 0.1206E-05 0.1211E-05 S2,gas 0.8605E-21 1.0000 0.9055E-21 0.9055E-21 CO,gas 0.4980E-12 1.0000 0.5240E-12 0.5240E-12 SO3,gas 0.9614E-34 1.0000 0.1012E-33 0.1012E-33 SO2,gas 0.2821E-16 1.0000 0.2968E-16 0.2968E-16 HCl,gas 0.4567E-14 1.0000 0.4805E-14 0.4805E-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 2.90 2.90 0.00 0.000 -0.22748E-11 90 hematite 12.60 12.60 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 1.98 0.00 -1.98 -1.984 0.33882E+04 0.016 2 CO2,gas -6.36 -11.95 -5.58 -1.861 0.95340E+04 -3.584 3 CH4,gas 4.81 -7.24 -12.05 -3.012 0.20575E+05 -10.050 4 H2,gas 8.29 1.18 -7.11 -4.063 0.12141E+05 -5.110 5 H2S,gas -5.94 -13.86 -7.92 -3.959 0.13521E+05 -5.919 6 S2,gas -7.03 -30.08 -23.04 -3.545 0.39346E+05 -21.043 7 CO,gas 3.51 -10.77 -14.28 -4.394 0.24384E+05 -12.281 8 SO3,gas 17.43 -18.57 -35.99 -8.999 0.61460E+05 -33.995 9 SO2,gas 1.14 -17.39 -18.53 -4.941 0.31635E+05 -16.527 10 HCl,gas 5.48 -10.84 -16.32 -8.159 0.27863E+05 -14.318 21 andalusite 5.06 1.30 -3.77 -0.377 0.64291E+04 24 anhydrite -5.28 -9.43 -4.16 -2.078 0.70946E+04 32 apatite-OH -17.99 -20.79 -2.80 -0.216 0.47860E+04 35 aragonite 0.99 -2.81 -3.80 -1.267 0.64888E+04 36 brucite 12.58 8.27 -4.31 -0.861 0.73546E+04 37 calcite 0.83 -2.81 -3.65 -1.216 0.62275E+04 40 carpholite-Mg 8.65 5.07 -3.58 -0.239 0.61112E+04 41 carpholite-Fe 6.78 3.69 -3.09 -0.206 0.52826E+04 47 daphnite 29.09 26.74 -2.35 -0.073 0.40157E+04 50 chloritoid-Mg 13.26 9.57 -3.69 -0.246 0.63089E+04 51 chloritoid-Fe 9.24 8.18 -1.05 -0.070 0.18005E+04 52 chloritoid-Mn 11.46 7.89 -3.57 -0.238 0.60956E+04 54 coesite -2.37 -4.50 -2.13 -0.709 0.36297E+04 59 corundum 8.43 5.79 -2.64 -0.240 0.45099E+04 61 cristobalite -2.55 -4.50 -1.95 -0.649 0.33226E+04 78 fayalite 14.08 9.28 -4.80 -0.686 0.81956E+04 83 gibbsite 4.10 2.90 -1.20 -0.172 0.20512E+04 87 greenalite 16.19 11.67 -4.52 -0.377 0.77231E+04 92 hercynite 17.34 12.68 -4.67 -0.311 0.79658E+04 98 kaolinite -1.27 -3.20 -1.92 -0.175 0.32867E+04 99 kyanite 4.93 1.30 -3.63 -0.363 0.62059E+04 102 lawsonite 9.68 5.93 -3.74 -0.250 0.63919E+04 106 magnesite 0.71 -3.68 -4.39 -1.462 0.74905E+04 107 magnetite 20.13 19.48 -0.65 -0.053 0.11066E+04 128 periclase-Fe 11.64 6.89 -4.75 -1.188 0.81140E+04 142 pyrite -21.23 -22.01 -0.79 -0.185 0.13433E+04 143 pyrrhotite -4.24 -6.97 -2.73 -0.910 0.46625E+04 144 pyrrhotiteFe0.875 -6.00 -7.98 -1.98 -0.728 0.33808E+04 147 quartz -2.98 -4.50 -1.51 -0.504 0.25836E+04 152 rhodochrosite -0.96 -5.35 -4.39 -1.464 0.74995E+04 156 siderite -2.59 -5.06 -2.47 -0.824 0.42211E+04 157 sillimanite 5.32 1.30 -4.02 -0.402 0.68713E+04 178 topaz-H 4.67 1.30 -3.37 -0.306 0.57550E+04 179 tridymite -2.61 -4.50 -1.88 -0.627 0.32109E+04 182 troilite-low -4.39 -6.97 -2.58 -0.860 0.44057E+04 193 akaganeite 7.77 6.30 -1.47 -0.318 0.25082E+04 200 chalcedony -2.79 -4.50 -1.70 -0.567 0.29039E+04 206 nontronite-Ca 3.28 -1.44 -4.72 -0.306 0.80532E+04 209 nontronite-Mg 3.14 -1.58 -4.72 -0.306 0.80567E+04 215 gypsum -4.92 -9.43 -4.51 -1.128 0.77014E+04 234 boehmite 4.43 2.90 -1.53 -0.256 0.26184E+04 236 ferrous-oxide 9.82 6.89 -2.94 -0.734 0.50151E+04 241 silica-amorphous -2.08 -4.50 -2.42 -0.805 0.41241E+04 Calculations done for 100.0000 Deg. C; 100.0000 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 = 100.00 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 = .2525730E-03 Osmotic coef. = 0.9904 True ionic strength = .2522172E-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+ 0.10686E-06 -6.9712 0.10277E-06 -6.9881 0.96169E+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 -3.8772 0.96158E+00 -0.0170 4 SO4-- 0.25206E-04 -4.5985 0.22742E-04 -4.6432 0.90224E+00 -0.0447 5 HCO3- 0.10884E-04 -4.9632 0.10466E-04 -4.9802 0.96161E+00 -0.0170 6 HS- 0.13887E-06 -6.8574 0.13354E-06 -6.8744 0.96159E+00 -0.0170 7 Al+++ 0.10534E-17 -17.9774 0.85440E-18 -18.0683 0.81107E+00 -0.0909 8 H4SiO4 0.32994E-04 -4.4816 0.32994E-04 -4.4816 0.10000E+01 0.0000 9 Ca++ 0.18015E-04 -4.7444 0.16251E-04 -4.7891 0.90212E+00 -0.0447 10 Mg++ 0.25295E-05 -5.5970 0.22817E-05 -5.6417 0.90204E+00 -0.0448 11 Fe++ 0.91600E-07 -7.0381 0.82629E-07 -7.0829 0.90206E+00 -0.0448 12 K+ 0.67916E-06 -6.1680 0.65309E-06 -6.1850 0.96161E+00 -0.0170 13 Na+ 0.16408E-03 -3.7849 0.15778E-03 -3.8020 0.96158E+00 -0.0170 14 Mn++ 0.53619E-07 -7.2707 0.48368E-07 -7.3154 0.90207E+00 -0.0448 15 HPO4-- 0.70380E-08 -8.1526 0.63500E-08 -8.1972 0.90224E+00 -0.0447 16 HSiO3- 0.32576E-06 -6.4871 0.31324E-06 -6.5041 0.96158E+00 -0.0170 17 Ca(HSiO3)+ 0.11861E-09 -9.9259 0.11406E-09 -9.9429 0.96162E+00 -0.0170 18 Mg(HSiO3)+ 0.20725E-10 -10.6835 0.19929E-10 -10.7005 0.96162E+00 -0.0170 19 NaHSiO3,aq 0.78495E-09 -9.1052 0.78495E-09 -9.1052 0.10000E+01 0.0000 20 AlO+ 0.10861E-10 -10.9641 0.10444E-10 -10.9811 0.96162E+00 -0.0170 21 AlOH+2 0.59601E-14 -14.2247 0.53765E-14 -14.2695 0.90209E+00 -0.0448 22 HAlO2,aq 0.20336E-07 -7.6917 0.20336E-07 -7.6917 0.10000E+01 0.0000 23 AlO2- 0.45952E-06 -6.3377 0.44185E-06 -6.3547 0.96155E+00 -0.0170 24 CH4,aq 0.60306E-13 -13.2196 0.60301E-13 -13.2197 0.99992E+00 0.0000 29 CO,aq 0.32518E-15 -15.4879 0.32518E-15 -15.4879 0.10000E+01 0.0000 30 CO2,aq 0.21687E-05 -5.6638 0.21686E-05 -5.6638 0.99992E+00 0.0000 31 CO3-2 0.10437E-07 -7.9814 0.94162E-08 -8.0261 0.90220E+00 -0.0447 32 CaCO3,aq 0.18742E-08 -8.7272 0.18742E-08 -8.7272 0.10000E+01 0.0000 33 Ca(HCO3)+ 0.44568E-08 -8.3510 0.42857E-08 -8.3680 0.96162E+00 -0.0170 34 CaCl+ 0.35726E-08 -8.4470 0.34355E-08 -8.4640 0.96162E+00 -0.0170 35 CaCl2,aq 0.10612E-12 -12.9742 0.10612E-12 -12.9742 0.10000E+01 0.0000 36 CaOH+ 0.11596E-07 -7.9357 0.11151E-07 -7.9527 0.96162E+00 -0.0170 37 CaSO4,aq 0.11516E-06 -6.9387 0.11516E-06 -6.9387 0.10000E+01 0.0000 38 HCl,aq 0.25644E-11 -11.5910 0.25644E-11 -11.5910 0.10000E+01 0.0000 43 FeCl+ 0.17755E-10 -10.7507 0.17073E-10 -10.7677 0.96162E+00 -0.0170 44 FeCl2,aq 0.70247E-19 -19.1534 0.70247E-19 -19.1534 0.10000E+01 0.0000 46 FeO,aq 0.30938E-09 -9.5095 0.30938E-09 -9.5095 0.10000E+01 0.0000 47 FeOH+ 0.27720E-07 -7.5572 0.26656E-07 -7.5742 0.96162E+00 -0.0170 48 HFeO2- 0.33675E-10 -10.4727 0.32381E-10 -10.4897 0.96158E+00 -0.0170 49 FeO+ 0.88404E-12 -12.0535 0.85011E-12 -12.0705 0.96162E+00 -0.0170 50 FeOH+2 0.18021E-16 -16.7442 0.16257E-16 -16.7890 0.90209E+00 -0.0448 51 FeO2- 0.16452E-10 -10.7838 0.15820E-10 -10.8008 0.96158E+00 -0.0170 52 HFeO2,aq 0.20347E-09 -9.6915 0.20347E-09 -9.6915 0.10000E+01 0.0000 53 H2,aq 0.58227E-08 -8.2349 0.58222E-08 -8.2349 0.99992E+00 0.0000 54 KCl,aq 0.15341E-11 -11.8141 0.15341E-11 -11.8141 0.10000E+01 0.0000 55 KHSO4,aq 0.40846E-17 -17.3889 0.40846E-17 -17.3889 0.10000E+01 0.0000 56 KOH,aq 0.27705E-11 -11.5574 0.27705E-11 -11.5574 0.10000E+01 0.0000 57 KSO4- 0.23797E-09 -9.6235 0.22883E-09 -9.6405 0.96158E+00 -0.0170 58 MgCO3,aq 0.65753E-10 -10.1821 0.65753E-10 -10.1821 0.10000E+01 0.0000 59 Mg(HCO3)+ 0.63807E-09 -9.1951 0.61358E-09 -9.2121 0.96162E+00 -0.0170 60 MgCl+ 0.45536E-09 -9.3416 0.43788E-09 -9.3586 0.96162E+00 -0.0170 61 MgOH+ 0.90195E-08 -8.0448 0.86733E-08 -8.0618 0.96162E+00 -0.0170 63 MnO,aq 0.48346E-11 -11.3156 0.48346E-11 -11.3156 0.10000E+01 0.0000 64 MnOH+ 0.15074E-08 -8.8218 0.14495E-08 -8.8388 0.96162E+00 -0.0170 65 MnO2-2 0.17547E-19 -19.7558 0.15831E-19 -19.8005 0.90220E+00 -0.0447 66 HMnO2- 0.36658E-15 -15.4358 0.35250E-15 -15.4528 0.96158E+00 -0.0170 69 MnCl+ 0.40386E-10 -10.3938 0.38836E-10 -10.4108 0.96162E+00 -0.0170 70 MnSO4,aq 0.31174E-09 -9.5062 0.31174E-09 -9.5062 0.10000E+01 0.0000 71 NaCl,aq 0.68345E-08 -8.1653 0.68345E-08 -8.1653 0.10000E+01 0.0000 72 NaOH,aq 0.67461E-09 -9.1709 0.67461E-09 -9.1709 0.10000E+01 0.0000 74 OH- 0.60702E-05 -5.2168 0.58368E-05 -5.2338 0.96155E+00 -0.0170 79 HPO3-2 0.12943E-18 -18.8880 0.11677E-18 -18.9327 0.90220E+00 -0.0447 81 H2PO3- 0.24515E-19 -19.6106 0.23573E-19 -19.6276 0.96158E+00 -0.0170 82 H3PO4,aq 0.43175E-12 -12.3648 0.43175E-12 -12.3648 0.10000E+01 0.0000 83 H2PO4- 0.11898E-07 -7.9245 0.11441E-07 -7.9415 0.96160E+00 -0.0170 84 PO4-3 0.66470E-13 -13.1774 0.53961E-13 -13.2679 0.81182E+00 -0.0905 87 H2P2O7-2 0.11355E-16 -16.9448 0.10244E-16 -16.9895 0.90220E+00 -0.0447 88 HP2O7-3 0.25202E-16 -16.5986 0.20441E-16 -16.6895 0.81108E+00 -0.0909 89 P2O7-4 0.70183E-19 -19.1538 0.49069E-19 -19.3092 0.69915E+00 -0.1554 90 H2S,aq 0.41235E-07 -7.3847 0.41232E-07 -7.3848 0.99992E+00 0.0000 91 S2-2 0.74661E-16 -16.1269 0.67359E-16 -16.1716 0.90220E+00 -0.0447 96 SO2,aq 0.58590E-17 -17.2322 0.58590E-17 -17.2322 0.10000E+01 0.0000 97 SO3-2 0.20006E-13 -13.6988 0.18054E-13 -13.7434 0.90245E+00 -0.0446 98 HSO3- 0.11292E-12 -12.9472 0.10858E-12 -12.9642 0.96158E+00 -0.0170 99 HSO4- 0.22551E-08 -8.6468 0.21686E-08 -8.6638 0.96163E+00 -0.0170 101 S2O3-2 0.12249E-13 -13.9119 0.11051E-13 -13.9566 0.90220E+00 -0.0447 102 HS2O3- 0.21079E-18 -18.6761 0.20270E-18 -18.6932 0.96158E+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+ 0.1068616E-06 -.6030502E-05 -.6078300E-02 0.0000 2 H2O 0.1000000E+01 0.5550825E+02 0.9999841E+06 0.0000 3 Cl- 0.1379634E-03 0.1379743E-03 0.4891537E+01 3.1109 4 SO4-- 0.2520643E-04 0.2532297E-04 0.2432531E+01 9.3331 5 HCO3- 0.1088381E-04 0.1307002E-04 0.7974848E+00 2.0079 6 HS- 0.1388696E-06 0.1815331E-06 0.6003580E-02 0.1137 7 Al+++ 0.1053422E-17 0.4798678E-06 0.1294737E-01 2.8961 8 H4SiO4 0.3299426E-04 0.3332095E-04 0.3202612E+01 -4.4816 9 Ca++ 0.1801476E-04 0.1815154E-04 0.7274673E+00 9.1872 10 Mg++ 0.2529486E-05 0.2539686E-05 0.6174398E-01 8.3345 11 Fe++ 0.9160005E-07 0.1199012E-06 0.6696029E-02 6.8934 12 K+ 0.6791641E-06 0.6794063E-06 0.2656578E-01 0.8031 13 Na+ 0.1640797E-03 0.1640880E-03 0.3772298E+01 3.1862 14 Mn++ 0.5361925E-07 0.5548357E-07 0.3048115E-02 6.6608 15 HPO4-- 0.7037984E-08 0.1893627E-07 0.1817459E-02 5.7791 Component Tot moles Aq. moles Solid moles Gas moles 1 H+ -.3994725E-04 -.6030494E-05 -.3391675E-04 0.0000000E+00 2 H2O 0.5550821E+02 0.5550819E+02 0.2207074E-04 0.0000000E+00 3 Cl- 0.1379742E-03 0.1379742E-03 0.0000000E+00 0.0000000E+00 4 SO4-- 0.2559315E-04 0.2532294E-04 0.2702158E-06 0.0000000E+00 5 HCO3- 0.1307000E-04 0.1307000E-04 0.0000000E+00 0.0000000E+00 6 HS- -.8868291E-07 0.1815329E-06 -.2702158E-06 0.0000000E+00 7 Al+++ 0.1043437E-04 0.4798672E-06 0.9954506E-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 0.1199010E-06 0.2161726E-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: 0.5929E-20 Mass of aqueous solution: 0.100001E+04 g Temperature = 100.00 C Pressure = 100.00 bar Mixer frac. = 0.0032000 Log Log Vol Gas or mineral Moles Moles Grams Grams Wt.% (cm3) diaspore 0.9955E-05 -5.002 0.5972E-03 -3.224 77.58 0.1778E-03 hematite 0.1081E-05 -5.966 0.1726E-03 -3.763 22.42 0.3272E-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: 1.0522 bar Gas Mole fraction phi Fugacity Partial P(bar) H2O,gas 0.9998E+00 0.9855 0.1037E+01 0.1052E+01 CO2,gas 0.2342E-03 1.0073 0.2482E-03 0.2464E-03 CH4,gas 0.8947E-10 1.0129 0.9536E-10 0.9414E-10 H2,gas 0.7585E-05 1.0006 0.7986E-05 0.7981E-05 H2S,gas 0.1148E-05 0.9959 0.1203E-05 0.1207E-05 S2,gas 0.8073E-21 1.0000 0.8494E-21 0.8494E-21 CO,gas 0.4880E-12 1.0000 0.5135E-12 0.5135E-12 SO3,gas 0.8534E-34 1.0000 0.8979E-34 0.8979E-34 SO2,gas 0.2578E-16 1.0000 0.2713E-16 0.2713E-16 HCl,gas 0.4303E-14 1.0000 0.4528E-14 0.4528E-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 2.90 2.90 0.00 0.000 -0.22748E-11 90 hematite 12.60 12.60 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 1.98 0.00 -1.98 -1.984 0.33882E+04 0.016 2 CO2,gas -6.36 -11.97 -5.61 -1.868 0.95706E+04 -3.605 3 CH4,gas 4.81 -7.21 -12.02 -3.005 0.20525E+05 -10.021 4 H2,gas 8.29 1.19 -7.10 -4.056 0.12119E+05 -5.098 5 H2S,gas -5.94 -13.86 -7.92 -3.960 0.13523E+05 -5.920 6 S2,gas -7.03 -30.10 -23.07 -3.549 0.39393E+05 -21.071 7 CO,gas 3.51 -10.78 -14.29 -4.397 0.24399E+05 -12.289 8 SO3,gas 17.43 -18.62 -36.05 -9.012 0.61549E+05 -34.047 9 SO2,gas 1.14 -17.43 -18.57 -4.951 0.31702E+05 -16.567 10 HCl,gas 5.48 -10.87 -16.34 -8.172 0.27907E+05 -14.344 21 andalusite 5.06 1.31 -3.75 -0.375 0.64060E+04 24 anhydrite -5.28 -9.43 -4.15 -2.076 0.70903E+04 32 apatite-OH -17.99 -20.58 -2.60 -0.200 0.44324E+04 35 aragonite 0.99 -2.78 -3.77 -1.256 0.64327E+04 36 brucite 12.58 8.33 -4.24 -0.848 0.72432E+04 37 calcite 0.83 -2.78 -3.61 -1.205 0.61714E+04 40 carpholite-Mg 8.65 5.16 -3.49 -0.232 0.59536E+04 41 carpholite-Fe 6.78 3.72 -3.06 -0.204 0.52256E+04 47 daphnite 29.09 26.81 -2.28 -0.071 0.38925E+04 50 chloritoid-Mg 13.26 9.65 -3.62 -0.241 0.61744E+04 51 chloritoid-Fe 9.24 8.20 -1.03 -0.069 0.17666E+04 52 chloritoid-Mn 11.46 7.97 -3.49 -0.233 0.59621E+04 54 coesite -2.37 -4.48 -2.11 -0.704 0.36065E+04 59 corundum 8.43 5.79 -2.64 -0.240 0.45099E+04 61 cristobalite -2.55 -4.48 -1.93 -0.644 0.32994E+04 78 fayalite 14.08 9.31 -4.77 -0.682 0.81509E+04 83 gibbsite 4.10 2.90 -1.20 -0.172 0.20512E+04 87 greenalite 16.19 11.72 -4.48 -0.373 0.76445E+04 92 hercynite 17.34 12.69 -4.66 -0.311 0.79550E+04 98 kaolinite -1.27 -3.17 -1.90 -0.173 0.32404E+04 99 kyanite 4.93 1.31 -3.62 -0.362 0.61828E+04 102 lawsonite 9.68 6.02 -3.66 -0.244 0.62530E+04 106 magnesite 0.71 -3.63 -4.34 -1.448 0.74158E+04 107 magnetite 20.13 19.49 -0.64 -0.052 0.10958E+04 128 periclase-Fe 11.64 6.89 -4.75 -1.186 0.81032E+04 142 pyrite -21.23 -22.02 -0.80 -0.187 0.13584E+04 143 pyrrhotite -4.24 -6.97 -2.73 -0.909 0.46538E+04 144 pyrrhotiteFe0.875 -6.00 -7.98 -1.98 -0.727 0.33761E+04 147 quartz -2.98 -4.48 -1.50 -0.500 0.25605E+04 152 rhodochrosite -0.96 -5.31 -4.35 -1.450 0.74258E+04 156 siderite -2.59 -5.07 -2.49 -0.829 0.42470E+04 157 sillimanite 5.32 1.31 -4.01 -0.401 0.68482E+04 178 topaz-H 4.67 1.31 -3.36 -0.305 0.57319E+04 179 tridymite -2.61 -4.48 -1.87 -0.622 0.31878E+04 182 troilite-low -4.39 -6.97 -2.58 -0.858 0.43970E+04 193 akaganeite 7.77 6.30 -1.47 -0.318 0.25082E+04 200 chalcedony -2.79 -4.48 -1.69 -0.562 0.28808E+04 206 nontronite-Ca 3.28 -1.38 -4.66 -0.302 0.79530E+04 209 nontronite-Mg 3.14 -1.52 -4.66 -0.302 0.79535E+04 215 gypsum -4.92 -9.43 -4.51 -1.127 0.76971E+04 234 boehmite 4.43 2.90 -1.53 -0.256 0.26184E+04 236 ferrous-oxide 9.82 6.89 -2.93 -0.733 0.50043E+04 241 silica-amorphous -2.08 -4.48 -2.40 -0.801 0.41010E+04 Calculations done for 100.0000 Deg. C; 100.0000 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 = 100.00 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 = .2531310E-03 Osmotic coef. = 0.9904 True ionic strength = .2529058E-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+ 0.10091E-06 -6.9961 0.97039E-07 -7.0131 0.96167E+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 0.96156E+00 -0.0170 4 SO4-- 0.25199E-04 -4.5986 0.22733E-04 -4.6434 0.90214E+00 -0.0447 5 HCO3- 0.10985E-04 -4.9592 0.10563E-04 -4.9762 0.96158E+00 -0.0170 6 HS- 0.14640E-06 -6.8345 0.14077E-06 -6.8515 0.96156E+00 -0.0170 7 Al+++ 0.88710E-18 -18.0520 0.71932E-18 -18.1431 0.81086E+00 -0.0911 8 H4SiO4 0.34006E-04 -4.4684 0.34006E-04 -4.4684 0.10000E+01 0.0000 9 Ca++ 0.18128E-04 -4.7416 0.16352E-04 -4.7864 0.90201E+00 -0.0448 10 Mg++ 0.26080E-05 -5.5837 0.23522E-05 -5.6285 0.90194E+00 -0.0448 11 Fe++ 0.82817E-07 -7.0819 0.74698E-07 -7.1267 0.90196E+00 -0.0448 12 K+ 0.70039E-06 -6.1547 0.67348E-06 -6.1717 0.96159E+00 -0.0170 13 Na+ 0.16421E-03 -3.7846 0.15789E-03 -3.8016 0.96155E+00 -0.0170 14 Mn++ 0.55206E-07 -7.2580 0.49794E-07 -7.3028 0.90197E+00 -0.0448 15 HPO4-- 0.75218E-08 -8.1237 0.67857E-08 -8.1684 0.90214E+00 -0.0447 16 HSiO3- 0.35558E-06 -6.4491 0.34191E-06 -6.4661 0.96156E+00 -0.0170 17 Ca(HSiO3)+ 0.13027E-09 -9.8852 0.12526E-09 -9.9022 0.96159E+00 -0.0170 18 Mg(HSiO3)+ 0.23321E-10 -10.6323 0.22425E-10 -10.6493 0.96159E+00 -0.0170 19 NaHSiO3,aq 0.85740E-09 -9.0668 0.85740E-09 -9.0668 0.10000E+01 0.0000 20 AlO+ 0.10255E-10 -10.9890 0.98615E-11 -11.0061 0.96159E+00 -0.0170 21 AlOH+2 0.53146E-14 -14.2745 0.47937E-14 -14.3193 0.90199E+00 -0.0448 22 HAlO2,aq 0.20336E-07 -7.6917 0.20336E-07 -7.6917 0.10000E+01 0.0000 23 AlO2- 0.48667E-06 -6.3128 0.46794E-06 -6.3298 0.96152E+00 -0.0170 24 CH4,aq 0.64191E-13 -13.1925 0.64186E-13 -13.1926 0.99992E+00 0.0000 29 CO,aq 0.31858E-15 -15.4968 0.31858E-15 -15.4968 0.10000E+01 0.0000 30 CO2,aq 0.20668E-05 -5.6847 0.20666E-05 -5.6847 0.99992E+00 0.0000 31 CO3-2 0.11157E-07 -7.9525 0.10064E-07 -7.9972 0.90210E+00 -0.0447 32 CaCO3,aq 0.20156E-08 -8.6956 0.20156E-08 -8.6956 0.10000E+01 0.0000 33 Ca(HCO3)+ 0.45259E-08 -8.3443 0.43521E-08 -8.3613 0.96159E+00 -0.0170 34 CaCl+ 0.35947E-08 -8.4443 0.34566E-08 -8.4613 0.96159E+00 -0.0170 35 CaCl2,aq 0.10677E-12 -12.9716 0.10677E-12 -12.9716 0.10000E+01 0.0000 36 CaOH+ 0.12357E-07 -7.9081 0.11882E-07 -7.9251 0.96159E+00 -0.0170 37 CaSO4,aq 0.11582E-06 -6.9362 0.11582E-06 -6.9362 0.10000E+01 0.0000 38 HCl,aq 0.24214E-11 -11.6159 0.24214E-11 -11.6159 0.10000E+01 0.0000 43 FeCl+ 0.16050E-10 -10.7945 0.15434E-10 -10.8115 0.96159E+00 -0.0170 44 FeCl2,aq 0.63501E-19 -19.1972 0.63501E-19 -19.1972 0.10000E+01 0.0000 46 FeO,aq 0.31369E-09 -9.5035 0.31369E-09 -9.5035 0.10000E+01 0.0000 47 FeOH+ 0.26539E-07 -7.5761 0.25520E-07 -7.5931 0.96159E+00 -0.0170 48 HFeO2- 0.36160E-10 -10.4418 0.34770E-10 -10.4588 0.96156E+00 -0.0170 49 FeO+ 0.83478E-12 -12.0784 0.80272E-12 -12.0954 0.96159E+00 -0.0170 50 FeOH+2 0.16070E-16 -16.7940 0.14495E-16 -16.8388 0.90199E+00 -0.0448 51 FeO2- 0.17424E-10 -10.7588 0.16754E-10 -10.7759 0.96156E+00 -0.0170 52 HFeO2,aq 0.20347E-09 -9.6915 0.20347E-09 -9.6915 0.10000E+01 0.0000 53 H2,aq 0.59859E-08 -8.2229 0.59855E-08 -8.2229 0.99992E+00 0.0000 54 KCl,aq 0.15820E-11 -11.8008 0.15820E-11 -11.8008 0.10000E+01 0.0000 55 KHSO4,aq 0.39756E-17 -17.4006 0.39756E-17 -17.4006 0.10000E+01 0.0000 56 KOH,aq 0.30256E-11 -11.5192 0.30256E-11 -11.5192 0.10000E+01 0.0000 57 KSO4- 0.24530E-09 -9.6103 0.23587E-09 -9.6273 0.96156E+00 -0.0170 58 MgCO3,aq 0.72452E-10 -10.1400 0.72452E-10 -10.1400 0.10000E+01 0.0000 59 Mg(HCO3)+ 0.66390E-09 -9.1779 0.63840E-09 -9.1949 0.96159E+00 -0.0170 60 MgCl+ 0.46944E-09 -9.3284 0.45141E-09 -9.3454 0.96159E+00 -0.0170 61 MgOH+ 0.98475E-08 -8.0067 0.94693E-08 -8.0237 0.96159E+00 -0.0170 63 MnO,aq 0.55822E-11 -11.2532 0.55822E-11 -11.2532 0.10000E+01 0.0000 64 MnOH+ 0.16435E-08 -8.7842 0.15803E-08 -8.8013 0.96159E+00 -0.0170 65 MnO2-2 0.22726E-19 -19.6435 0.20501E-19 -19.6882 0.90210E+00 -0.0447 66 HMnO2- 0.44827E-15 -15.3485 0.43103E-15 -15.3655 0.96156E+00 -0.0170 69 MnCl+ 0.41576E-10 -10.3812 0.39979E-10 -10.3982 0.96159E+00 -0.0170 70 MnSO4,aq 0.32080E-09 -9.4938 0.32080E-09 -9.4938 0.10000E+01 0.0000 71 NaCl,aq 0.68394E-08 -8.1650 0.68394E-08 -8.1650 0.10000E+01 0.0000 72 NaOH,aq 0.71496E-09 -9.1457 0.71496E-09 -9.1457 0.10000E+01 0.0000 74 OH- 0.64288E-05 -5.1919 0.61814E-05 -5.2089 0.96152E+00 -0.0170 79 HPO3-2 0.14221E-18 -18.8471 0.12829E-18 -18.8918 0.90210E+00 -0.0447 81 H2PO3- 0.25431E-19 -19.5946 0.24453E-19 -19.6117 0.96156E+00 -0.0170 82 H3PO4,aq 0.41137E-12 -12.3858 0.41137E-12 -12.3858 0.10000E+01 0.0000 83 H2PO4- 0.12006E-07 -7.9206 0.11544E-07 -7.9376 0.96157E+00 -0.0170 84 PO4-3 0.75244E-13 -13.1235 0.61069E-13 -13.2142 0.81161E+00 -0.0907 87 H2P2O7-2 0.11563E-16 -16.9369 0.10431E-16 -16.9817 0.90210E+00 -0.0447 88 HP2O7-3 0.27182E-16 -16.5657 0.22041E-16 -16.6568 0.81087E+00 -0.0910 89 P2O7-4 0.80182E-19 -19.0959 0.56034E-19 -19.2515 0.69884E+00 -0.1556 90 H2S,aq 0.41047E-07 -7.3867 0.41044E-07 -7.3867 0.99992E+00 0.0000 91 S2-2 0.80723E-16 -16.0930 0.72820E-16 -16.1377 0.90210E+00 -0.0447 96 SO2,aq 0.53680E-17 -17.2702 0.53680E-17 -17.2702 0.10000E+01 0.0000 97 SO3-2 0.20560E-13 -13.6870 0.18552E-13 -13.7316 0.90235E+00 -0.0446 98 HSO3- 0.10957E-12 -12.9603 0.10536E-12 -12.9773 0.96156E+00 -0.0170 99 HSO4- 0.21285E-08 -8.6719 0.20468E-08 -8.6889 0.96161E+00 -0.0170 101 S2O3-2 0.12190E-13 -13.9140 0.10996E-13 -13.9588 0.90210E+00 -0.0447 102 HS2O3- 0.19806E-18 -18.7032 0.19044E-18 -18.7202 0.96156E+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+ 0.1009069E-06 -.6637207E-05 -.6689813E-02 0.0000 2 H2O 0.1000000E+01 0.5550826E+02 0.9999840E+06 0.0000 3 Cl- 0.1379634E-03 0.1379744E-03 0.4891537E+01 3.1358 4 SO4-- 0.2519854E-04 0.2531558E-04 0.2431822E+01 9.3828 5 HCO3- 0.1098481E-04 0.1307002E-04 0.7974847E+00 2.0368 6 HS- 0.1464028E-06 0.1889190E-06 0.6247843E-02 0.1616 7 Al+++ 0.8871014E-18 0.5070123E-06 0.1367976E-01 2.8961 8 H4SiO4 0.3400564E-04 0.3436223E-04 0.3302693E+01 -4.4684 9 Ca++ 0.1812811E-04 0.1826655E-04 0.7320767E+00 9.2397 10 Mg++ 0.2607974E-05 0.2619051E-05 0.6367348E-01 8.3976 11 Fe++ 0.8281746E-07 0.1099443E-06 0.6139974E-02 6.8994 12 K+ 0.7003879E-06 0.7006378E-06 0.2739596E-01 0.8414 13 Na+ 0.1642051E-03 0.1642135E-03 0.3775183E+01 3.2114 14 Mn++ 0.5520602E-07 0.5721744E-07 0.3143368E-02 6.7233 15 HPO4-- 0.7521794E-08 0.1952803E-07 0.1874254E-02 5.8577 Component Tot moles Aq. moles Solid moles Gas moles 1 H+ -.4160310E-04 -.6637199E-05 -.3496590E-04 0.0000000E+00 2 H2O 0.5550821E+02 0.5550819E+02 0.2274986E-04 0.0000000E+00 3 Cl- 0.1379742E-03 0.1379742E-03 0.0000000E+00 0.0000000E+00 4 SO4-- 0.2559592E-04 0.2531555E-04 0.2803730E-06 0.0000000E+00 5 HCO3- 0.1307000E-04 0.1307000E-04 0.0000000E+00 0.0000000E+00 6 HS- -.9145425E-07 0.1889188E-06 -.2803730E-06 0.0000000E+00 7 Al+++ 0.1076045E-04 0.5070117E-06 0.1025344E-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 0.1099442E-06 0.2242984E-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: 0.2541E-20 Mass of aqueous solution: 0.100001E+04 g Temperature = 100.00 C Pressure = 100.00 bar Mixer frac. = 0.0033000 Log Log Vol Gas or mineral Moles Moles Grams Grams Wt.% (cm3) diaspore 0.1025E-04 -4.989 0.6151E-03 -3.211 77.45 0.1831E-03 hematite 0.1121E-05 -5.950 0.1791E-03 -3.747 22.55 0.3395E-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: 1.0522 bar Gas Mole fraction phi Fugacity Partial P(bar) H2O,gas 0.9998E+00 0.9855 0.1037E+01 0.1052E+01 CO2,gas 0.2232E-03 1.0073 0.2366E-03 0.2348E-03 CH4,gas 0.9524E-10 1.0129 0.1015E-09 0.1002E-09 H2,gas 0.7798E-05 1.0006 0.8210E-05 0.8205E-05 H2S,gas 0.1142E-05 0.9959 0.1197E-05 0.1202E-05 S2,gas 0.7569E-21 1.0000 0.7964E-21 0.7964E-21 CO,gas 0.4781E-12 1.0000 0.5030E-12 0.5030E-12 SO3,gas 0.7606E-34 1.0000 0.8003E-34 0.8003E-34 SO2,gas 0.2362E-16 1.0000 0.2485E-16 0.2485E-16 HCl,gas 0.4063E-14 1.0000 0.4275E-14 0.4275E-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 2.90 2.90 0.00 0.000 0.37914E-11 90 hematite 12.60 12.60 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 1.98 0.00 -1.98 -1.984 0.33882E+04 0.016 2 CO2,gas -6.36 -11.99 -5.63 -1.875 0.96063E+04 -3.626 3 CH4,gas 4.81 -7.18 -11.99 -2.998 0.20479E+05 -9.994 4 H2,gas 8.29 1.20 -7.09 -4.049 0.12099E+05 -5.086 5 H2S,gas -5.94 -13.86 -7.92 -3.961 0.13526E+05 -5.922 6 S2,gas -7.03 -30.13 -23.10 -3.554 0.39441E+05 -21.099 7 CO,gas 3.51 -10.79 -14.30 -4.400 0.24414E+05 -12.298 8 SO3,gas 17.43 -18.67 -36.10 -9.024 0.61634E+05 -34.097 9 SO2,gas 1.14 -17.47 -18.60 -4.961 0.31767E+05 -16.605 10 HCl,gas 5.48 -10.89 -16.37 -8.185 0.27950E+05 -14.369 21 andalusite 5.06 1.32 -3.74 -0.374 0.63836E+04 24 anhydrite -5.28 -9.43 -4.15 -2.075 0.70861E+04 32 apatite-OH -17.99 -20.39 -2.40 -0.184 0.40918E+04 35 aragonite 0.99 -2.75 -3.74 -1.245 0.63788E+04 36 brucite 12.58 8.40 -4.18 -0.836 0.71355E+04 37 calcite 0.83 -2.75 -3.58 -1.194 0.61175E+04 40 carpholite-Mg 8.65 5.25 -3.40 -0.227 0.58011E+04 41 carpholite-Fe 6.78 3.75 -3.03 -0.202 0.51706E+04 46 clinochlore 39.19 34.37 -4.82 -0.151 0.82271E+04 47 daphnite 29.09 26.88 -2.21 -0.069 0.37740E+04 50 chloritoid-Mg 13.26 9.72 -3.54 -0.236 0.60443E+04 51 chloritoid-Fe 9.24 8.22 -1.02 -0.068 0.17340E+04 52 chloritoid-Mn 11.46 8.05 -3.42 -0.228 0.58331E+04 54 coesite -2.37 -4.47 -2.10 -0.700 0.35842E+04 59 corundum 8.43 5.79 -2.64 -0.240 0.45099E+04 61 cristobalite -2.55 -4.47 -1.92 -0.640 0.32770E+04 78 fayalite 14.08 9.33 -4.75 -0.678 0.81080E+04 83 gibbsite 4.10 2.90 -1.20 -0.172 0.20512E+04 87 greenalite 16.19 11.76 -4.43 -0.369 0.75690E+04 92 hercynite 17.34 12.69 -4.65 -0.310 0.79447E+04 98 kaolinite -1.27 -3.14 -1.87 -0.170 0.31957E+04 99 kyanite 4.93 1.32 -3.61 -0.361 0.61604E+04 102 lawsonite 9.68 6.09 -3.58 -0.239 0.61186E+04 106 magnesite 0.71 -3.59 -4.30 -1.434 0.73438E+04 107 magnetite 20.13 19.50 -0.64 -0.052 0.10855E+04 128 periclase-Fe 11.64 6.90 -4.74 -1.185 0.80929E+04 142 pyrite -21.23 -22.03 -0.81 -0.190 0.13754E+04 143 pyrrhotite -4.24 -6.97 -2.72 -0.907 0.46470E+04 144 pyrrhotiteFe0.875 -6.00 -7.98 -1.98 -0.727 0.33731E+04 147 quartz -2.98 -4.47 -1.49 -0.495 0.25381E+04 152 rhodochrosite -0.96 -5.27 -4.31 -1.436 0.73549E+04 156 siderite -2.59 -5.09 -2.50 -0.834 0.42724E+04 157 sillimanite 5.32 1.32 -4.00 -0.400 0.68258E+04 178 topaz-H 4.67 1.32 -3.34 -0.304 0.57095E+04 179 tridymite -2.61 -4.47 -1.85 -0.618 0.31654E+04 182 troilite-low -4.39 -6.97 -2.57 -0.857 0.43902E+04 193 akaganeite 7.77 6.30 -1.47 -0.318 0.25082E+04 200 chalcedony -2.79 -4.47 -1.67 -0.558 0.28584E+04 206 nontronite-Ca 3.28 -1.32 -4.60 -0.298 0.78561E+04 209 nontronite-Mg 3.14 -1.46 -4.60 -0.298 0.78536E+04 215 gypsum -4.92 -9.43 -4.51 -1.126 0.76928E+04 234 boehmite 4.43 2.90 -1.53 -0.256 0.26184E+04 236 ferrous-oxide 9.82 6.90 -2.92 -0.731 0.49940E+04 241 silica-amorphous -2.08 -4.47 -2.39 -0.796 0.40786E+04 Calculations done for 100.0000 Deg. C; 100.0000 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 = 100.00 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 = .2536941E-03 Osmotic coef. = 0.9904 True ionic strength = .2535983E-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+ 0.95474E-07 -7.0201 0.91812E-07 -7.0371 0.96164E+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 0.96153E+00 -0.0170 4 SO4-- 0.25191E-04 -4.5988 0.22723E-04 -4.6435 0.90203E+00 -0.0448 5 HCO3- 0.11079E-04 -4.9555 0.10653E-04 -4.9725 0.96155E+00 -0.0170 6 HS- 0.15384E-06 -6.8129 0.14792E-06 -6.8300 0.96153E+00 -0.0170 7 Al+++ 0.75153E-18 -18.1241 0.60923E-18 -18.2152 0.81065E+00 -0.0912 8 H4SiO4 0.35015E-04 -4.4557 0.35015E-04 -4.4557 0.10000E+01 0.0000 9 Ca++ 0.18241E-04 -4.7389 0.16452E-04 -4.7838 0.90191E+00 -0.0448 10 Mg++ 0.26864E-05 -5.5708 0.24227E-05 -5.6157 0.90183E+00 -0.0449 11 Fe++ 0.75127E-07 -7.1242 0.67754E-07 -7.1691 0.90185E+00 -0.0449 12 K+ 0.72161E-06 -6.1417 0.69387E-06 -6.1587 0.96156E+00 -0.0170 13 Na+ 0.16433E-03 -3.7843 0.15801E-03 -3.8013 0.96153E+00 -0.0170 14 Mn++ 0.56786E-07 -7.2458 0.51213E-07 -7.2906 0.90187E+00 -0.0449 15 HPO4-- 0.80156E-08 -8.0961 0.72303E-08 -8.1408 0.90204E+00 -0.0448 16 HSiO3- 0.38699E-06 -6.4123 0.37210E-06 -6.4293 0.96153E+00 -0.0170 17 Ca(HSiO3)+ 0.14265E-09 -9.8457 0.13716E-09 -9.8628 0.96156E+00 -0.0170 18 Mg(HSiO3)+ 0.26142E-10 -10.5827 0.25137E-10 -10.5997 0.96156E+00 -0.0170 19 NaHSiO3,aq 0.93381E-09 -9.0297 0.93381E-09 -9.0297 0.10000E+01 0.0000 20 AlO+ 0.97033E-11 -11.0131 0.93304E-11 -11.0301 0.96156E+00 -0.0170 21 AlOH+2 0.47581E-14 -14.3226 0.42912E-14 -14.3674 0.90188E+00 -0.0448 22 HAlO2,aq 0.20336E-07 -7.6917 0.20336E-07 -7.6917 0.10000E+01 0.0000 23 AlO2- 0.51439E-06 -6.2887 0.49458E-06 -6.3058 0.96150E+00 -0.0171 24 CH4,aq 0.68053E-13 -13.1672 0.68047E-13 -13.1672 0.99992E+00 0.0000 29 CO,aq 0.31210E-15 -15.5057 0.31210E-15 -15.5057 0.10000E+01 0.0000 30 CO2,aq 0.19721E-05 -5.7051 0.19719E-05 -5.7051 0.99992E+00 0.0000 31 CO3-2 0.11893E-07 -7.9247 0.10728E-07 -7.9695 0.90200E+00 -0.0448 32 CaCO3,aq 0.21616E-08 -8.6652 0.21616E-08 -8.6652 0.10000E+01 0.0000 33 Ca(HCO3)+ 0.45925E-08 -8.3379 0.44160E-08 -8.3550 0.96156E+00 -0.0170 34 CaCl+ 0.36168E-08 -8.4417 0.34778E-08 -8.4587 0.96156E+00 -0.0170 35 CaCl2,aq 0.10742E-12 -12.9689 0.10742E-12 -12.9689 0.10000E+01 0.0000 36 CaOH+ 0.13141E-07 -7.8814 0.12635E-07 -7.8984 0.96156E+00 -0.0170 37 CaSO4,aq 0.11648E-06 -6.9337 0.11648E-06 -6.9337 0.10000E+01 0.0000 38 HCl,aq 0.22909E-11 -11.6400 0.22909E-11 -11.6400 0.10000E+01 0.0000 43 FeCl+ 0.14558E-10 -10.8369 0.13999E-10 -10.8539 0.96156E+00 -0.0170 44 FeCl2,aq 0.57595E-19 -19.2396 0.57595E-19 -19.2396 0.10000E+01 0.0000 46 FeO,aq 0.31785E-09 -9.4978 0.31785E-09 -9.4978 0.10000E+01 0.0000 47 FeOH+ 0.25443E-07 -7.5944 0.24465E-07 -7.6114 0.96156E+00 -0.0170 48 HFeO2- 0.38727E-10 -10.4120 0.37237E-10 -10.4290 0.96153E+00 -0.0170 49 FeO+ 0.78984E-12 -12.1025 0.75948E-12 -12.1195 0.96156E+00 -0.0170 50 FeOH+2 0.14387E-16 -16.8420 0.12975E-16 -16.8869 0.90188E+00 -0.0448 51 FeO2- 0.18417E-10 -10.7348 0.17708E-10 -10.7518 0.96153E+00 -0.0170 52 HFeO2,aq 0.20347E-09 -9.6915 0.20347E-09 -9.6915 0.10000E+01 0.0000 53 H2,aq 0.61456E-08 -8.2114 0.61451E-08 -8.2115 0.99992E+00 0.0000 54 KCl,aq 0.16298E-11 -11.7879 0.16298E-11 -11.7879 0.10000E+01 0.0000 55 KHSO4,aq 0.38737E-17 -17.4119 0.38737E-17 -17.4119 0.10000E+01 0.0000 56 KOH,aq 0.32947E-11 -11.4822 0.32947E-11 -11.4822 0.10000E+01 0.0000 57 KSO4- 0.25263E-09 -9.5975 0.24291E-09 -9.6146 0.96153E+00 -0.0170 58 MgCO3,aq 0.79541E-10 -10.0994 0.79541E-10 -10.0994 0.10000E+01 0.0000 59 Mg(HCO3)+ 0.68963E-09 -9.1614 0.66312E-09 -9.1784 0.96156E+00 -0.0170 60 MgCl+ 0.48350E-09 -9.3156 0.46492E-09 -9.3326 0.96156E+00 -0.0170 61 MgOH+ 0.10720E-07 -7.9698 0.10308E-07 -7.9868 0.96156E+00 -0.0170 63 MnO,aq 0.64136E-11 -11.1929 0.64136E-11 -11.1929 0.10000E+01 0.0000 64 MnOH+ 0.17866E-08 -8.7480 0.17179E-08 -8.7650 0.96156E+00 -0.0170 65 MnO2-2 0.29172E-19 -19.5350 0.26313E-19 -19.5798 0.90200E+00 -0.0448 66 HMnO2- 0.54436E-15 -15.2641 0.52342E-15 -15.2811 0.96153E+00 -0.0170 69 MnCl+ 0.42761E-10 -10.3690 0.41117E-10 -10.3860 0.96156E+00 -0.0170 70 MnSO4,aq 0.32980E-09 -9.4818 0.32980E-09 -9.4818 0.10000E+01 0.0000 71 NaCl,aq 0.68442E-08 -8.1647 0.68442E-08 -8.1647 0.10000E+01 0.0000 72 NaOH,aq 0.75622E-09 -9.1214 0.75622E-09 -9.1214 0.10000E+01 0.0000 74 OH- 0.67949E-05 -5.1678 0.65333E-05 -5.1849 0.96150E+00 -0.0171 79 HPO3-2 0.15559E-18 -18.8080 0.14034E-18 -18.8528 0.90200E+00 -0.0448 81 H2PO3- 0.26323E-19 -19.5797 0.25310E-19 -19.5967 0.96153E+00 -0.0170 82 H3PO4,aq 0.39238E-12 -12.4063 0.39238E-12 -12.4063 0.10000E+01 0.0000 83 H2PO4- 0.12104E-07 -7.9171 0.11638E-07 -7.9341 0.96155E+00 -0.0170 84 PO4-3 0.84760E-13 -13.0718 0.68775E-13 -13.1626 0.81141E+00 -0.0908 87 H2P2O7-2 0.11753E-16 -16.9299 0.10601E-16 -16.9747 0.90200E+00 -0.0448 88 HP2O7-3 0.29206E-16 -16.5345 0.23676E-16 -16.6257 0.81066E+00 -0.0912 89 P2O7-4 0.91076E-19 -19.0406 0.63618E-19 -19.1964 0.69852E+00 -0.1558 90 H2S,aq 0.40808E-07 -7.3893 0.40805E-07 -7.3893 0.99992E+00 0.0000 91 S2-2 0.86822E-16 -16.0614 0.78313E-16 -16.1062 0.90200E+00 -0.0448 96 SO2,aq 0.49315E-17 -17.3070 0.49315E-17 -17.3070 0.10000E+01 0.0000 97 SO3-2 0.21102E-13 -13.6757 0.19039E-13 -13.7204 0.90224E+00 -0.0447 98 HSO3- 0.10639E-12 -12.9731 0.10230E-12 -12.9901 0.96153E+00 -0.0170 99 HSO4- 0.20131E-08 -8.6961 0.19357E-08 -8.7132 0.96158E+00 -0.0170 101 S2O3-2 0.12115E-13 -13.9167 0.10928E-13 -13.9615 0.90200E+00 -0.0448 102 HS2O3- 0.18622E-18 -18.7300 0.17906E-18 -18.7470 0.96153E+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+ 0.9547450E-07 -.7247843E-05 -.7305289E-02 0.0000 2 H2O 0.1000000E+01 0.5550826E+02 0.9999838E+06 0.0000 3 Cl- 0.1379634E-03 0.1379744E-03 0.4891536E+01 3.1598 4 SO4-- 0.2519078E-04 0.2530835E-04 0.2431126E+01 9.4307 5 HCO3- 0.1107853E-04 0.1307002E-04 0.7974846E+00 2.0646 6 HS- 0.1538407E-06 0.1961578E-06 0.6487240E-02 0.2071 7 Al+++ 0.7515326E-18 0.5347317E-06 0.1442766E-01 2.8961 8 H4SiO4 0.3501542E-04 0.3540351E-04 0.3402775E+01 -4.4557 9 Ca++ 0.1824143E-04 0.1838157E-04 0.7366862E+00 9.2904 10 Mg++ 0.2686417E-05 0.2698416E-05 0.6560297E-01 8.4585 11 Fe++ 0.7512727E-07 0.1011643E-06 0.5649643E-02 6.9051 12 K+ 0.7216117E-06 0.7218693E-06 0.2822614E-01 0.8784 13 Na+ 0.1643305E-03 0.1643390E-03 0.3778069E+01 3.2358 14 Mn++ 0.5678576E-07 0.5895130E-07 0.3238621E-02 6.7836 15 HPO4-- 0.8015569E-08 0.2011979E-07 0.1931050E-02 5.9334 Component Tot moles Aq. moles Solid moles Gas moles 1 H+ -.4325895E-04 -.7247834E-05 -.3601112E-04 0.0000000E+00 2 H2O 0.5550821E+02 0.5550818E+02 0.2342665E-04 0.0000000E+00 3 Cl- 0.1379742E-03 0.1379742E-03 0.0000000E+00 0.0000000E+00 4 SO4-- 0.2559870E-04 0.2530831E-04 0.2903831E-06 0.0000000E+00 5 HCO3- 0.1307000E-04 0.1307000E-04 0.0000000E+00 0.0000000E+00 6 HS- -.9422559E-07 0.1961575E-06 -.2903831E-06 0.0000000E+00 7 Al+++ 0.1108652E-04 0.5347310E-06 0.1055179E-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 0.1011642E-06 0.2323065E-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: 0.2541E-20 Mass of aqueous solution: 0.100001E+04 g Temperature = 100.00 C Pressure = 100.00 bar Mixer frac. = 0.0034000 Log Log Vol Gas or mineral Moles Moles Grams Grams Wt.% (cm3) diaspore 0.1055E-04 -4.977 0.6330E-03 -3.199 77.34 0.1884E-03 hematite 0.1162E-05 -5.935 0.1855E-03 -3.732 22.66 0.3516E-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: 1.0522 bar Gas Mole fraction phi Fugacity Partial P(bar) H2O,gas 0.9998E+00 0.9855 0.1037E+01 0.1052E+01 CO2,gas 0.2130E-03 1.0073 0.2257E-03 0.2241E-03 CH4,gas 0.1010E-09 1.0129 0.1076E-09 0.1062E-09 H2,gas 0.8006E-05 1.0006 0.8429E-05 0.8424E-05 H2S,gas 0.1136E-05 0.9959 0.1190E-05 0.1195E-05 S2,gas 0.7097E-21 1.0000 0.7468E-21 0.7468E-21 CO,gas 0.4684E-12 1.0000 0.4928E-12 0.4928E-12 SO3,gas 0.6806E-34 1.0000 0.7161E-34 0.7161E-34 SO2,gas 0.2170E-16 1.0000 0.2283E-16 0.2283E-16 HCl,gas 0.3845E-14 1.0000 0.4045E-14 0.4045E-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 2.90 2.90 0.00 0.000 0.37914E-11 90 hematite 12.60 12.60 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 1.98 0.00 -1.98 -1.984 0.33882E+04 0.016 2 CO2,gas -6.36 -12.01 -5.65 -1.882 0.96411E+04 -3.646 3 CH4,gas 4.81 -7.16 -11.97 -2.992 0.20435E+05 -9.968 4 H2,gas 8.29 1.21 -7.07 -4.042 0.12079E+05 -5.074 5 H2S,gas -5.94 -13.87 -7.92 -3.962 0.13531E+05 -5.924 6 S2,gas -7.03 -30.16 -23.13 -3.558 0.39488E+05 -21.127 7 CO,gas 3.51 -10.80 -14.31 -4.402 0.24429E+05 -12.307 8 SO3,gas 17.43 -18.72 -36.15 -9.036 0.61717E+05 -34.145 9 SO2,gas 1.14 -17.51 -18.64 -4.971 0.31830E+05 -16.641 10 HCl,gas 5.48 -10.91 -16.39 -8.197 0.27991E+05 -14.393 21 andalusite 5.06 1.34 -3.73 -0.373 0.63619E+04 24 anhydrite -5.28 -9.43 -4.15 -2.074 0.70819E+04 32 apatite-OH -17.99 -20.19 -2.20 -0.170 0.37637E+04 35 aragonite 0.99 -2.72 -3.71 -1.235 0.63269E+04 36 brucite 12.58 8.46 -4.12 -0.824 0.70315E+04 37 calcite 0.83 -2.72 -3.55 -1.184 0.60656E+04 40 carpholite-Mg 8.65 5.34 -3.31 -0.221 0.56537E+04 41 carpholite-Fe 6.78 3.79 -3.00 -0.200 0.51174E+04 46 clinochlore 39.19 34.72 -4.48 -0.140 0.76420E+04 47 daphnite 29.09 26.95 -2.14 -0.067 0.36601E+04 50 chloritoid-Mg 13.26 9.79 -3.47 -0.231 0.59186E+04 51 chloritoid-Fe 9.24 8.24 -1.00 -0.066 0.17025E+04 52 chloritoid-Mn 11.46 8.12 -3.34 -0.223 0.57084E+04 54 coesite -2.37 -4.46 -2.09 -0.695 0.35625E+04 59 corundum 8.43 5.79 -2.64 -0.240 0.45099E+04 61 cristobalite -2.55 -4.46 -1.91 -0.636 0.32553E+04 78 fayalite 14.08 9.35 -4.72 -0.675 0.80668E+04 83 gibbsite 4.10 2.90 -1.20 -0.172 0.20512E+04 87 greenalite 16.19 11.80 -4.39 -0.366 0.74963E+04 92 hercynite 17.34 12.70 -4.65 -0.310 0.79350E+04 98 kaolinite -1.27 -3.12 -1.85 -0.168 0.31523E+04 99 kyanite 4.93 1.34 -3.60 -0.360 0.61387E+04 102 lawsonite 9.68 6.17 -3.51 -0.234 0.59885E+04 106 magnesite 0.71 -3.55 -4.26 -1.420 0.72746E+04 107 magnetite 20.13 19.50 -0.63 -0.051 0.10758E+04 128 periclase-Fe 11.64 6.91 -4.73 -1.184 0.80832E+04 142 pyrite -21.23 -22.04 -0.82 -0.192 0.13938E+04 143 pyrrhotite -4.24 -6.96 -2.72 -0.906 0.46415E+04 144 pyrrhotiteFe0.875 -6.00 -7.98 -1.97 -0.726 0.33713E+04 147 quartz -2.98 -4.46 -1.47 -0.491 0.25164E+04 152 rhodochrosite -0.96 -5.23 -4.27 -1.423 0.72867E+04 156 siderite -2.59 -5.10 -2.52 -0.839 0.42974E+04 157 sillimanite 5.32 1.34 -3.98 -0.398 0.68041E+04 178 topaz-H 4.67 1.34 -3.33 -0.303 0.56878E+04 179 tridymite -2.61 -4.46 -1.84 -0.614 0.31437E+04 182 troilite-low -4.39 -6.96 -2.57 -0.856 0.43847E+04 193 akaganeite 7.77 6.30 -1.47 -0.318 0.25082E+04 200 chalcedony -2.79 -4.46 -1.66 -0.554 0.28367E+04 206 nontronite-Ca 3.28 -1.27 -4.55 -0.295 0.77621E+04 209 nontronite-Mg 3.14 -1.40 -4.54 -0.295 0.77568E+04 215 gypsum -4.92 -9.43 -4.50 -1.126 0.76886E+04 234 boehmite 4.43 2.90 -1.53 -0.256 0.26184E+04 236 ferrous-oxide 9.82 6.91 -2.92 -0.730 0.49843E+04 241 silica-amorphous -2.08 -4.46 -2.38 -0.792 0.40569E+04 Calculations done for 100.0000 Deg. C; 100.0000 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 = 100.00 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 = .2542618E-03 Osmotic coef. = 0.9904 True ionic strength = .2542941E-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+ 0.90512E-07 -7.0433 0.87037E-07 -7.0603 0.96161E+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 0.96150E+00 -0.0171 4 SO4-- 0.25183E-04 -4.5989 0.22713E-04 -4.6437 0.90193E+00 -0.0448 5 HCO3- 0.11165E-04 -4.9521 0.10736E-04 -4.9692 0.96153E+00 -0.0170 6 HS- 0.16119E-06 -6.7927 0.15498E-06 -6.8097 0.96150E+00 -0.0170 7 Al+++ 0.64043E-18 -18.1935 0.51903E-18 -18.2848 0.81045E+00 -0.0913 8 H4SiO4 0.36024E-04 -4.4434 0.36024E-04 -4.4434 0.10000E+01 0.0000 9 Ca++ 0.18355E-04 -4.7363 0.16552E-04 -4.7811 0.90181E+00 -0.0449 10 Mg++ 0.27648E-05 -5.5583 0.24931E-05 -5.6033 0.90173E+00 -0.0449 11 Fe++ 0.68377E-07 -7.1651 0.61659E-07 -7.2100 0.90175E+00 -0.0449 12 K+ 0.74284E-06 -6.1291 0.71426E-06 -6.1461 0.96153E+00 -0.0170 13 Na+ 0.16446E-03 -3.7840 0.15812E-03 -3.8010 0.96150E+00 -0.0171 14 Mn++ 0.58359E-07 -7.2339 0.52626E-07 -7.2788 0.90176E+00 -0.0449 15 HPO4-- 0.85183E-08 -8.0696 0.76829E-08 -8.1145 0.90193E+00 -0.0448 16 HSiO3- 0.41999E-06 -6.3768 0.40382E-06 -6.3938 0.96150E+00 -0.0171 17 Ca(HSiO3)+ 0.15575E-09 -9.8076 0.14976E-09 -9.8246 0.96154E+00 -0.0170 18 Mg(HSiO3)+ 0.29195E-10 -10.5347 0.28072E-10 -10.5517 0.96154E+00 -0.0170 19 NaHSiO3,aq 0.10141E-08 -8.9939 0.10141E-08 -8.9939 0.10000E+01 0.0000 20 AlO+ 0.91989E-11 -11.0363 0.88451E-11 -11.0533 0.96154E+00 -0.0170 21 AlOH+2 0.42765E-14 -14.3689 0.38565E-14 -14.4138 0.90178E+00 -0.0449 22 HAlO2,aq 0.20336E-07 -7.6917 0.20336E-07 -7.6917 0.10000E+01 0.0000 23 AlO2- 0.54262E-06 -6.2655 0.52171E-06 -6.2826 0.96147E+00 -0.0171 24 CH4,aq 0.71889E-13 -13.1433 0.71883E-13 -13.1434 0.99992E+00 0.0000 29 CO,aq 0.30576E-15 -15.5146 0.30576E-15 -15.5146 0.10000E+01 0.0000 30 CO2,aq 0.18841E-05 -5.7249 0.18840E-05 -5.7249 0.99992E+00 0.0000 31 CO3-2 0.12645E-07 -7.8981 0.11405E-07 -7.9429 0.90189E+00 -0.0448 32 CaCO3,aq 0.23121E-08 -8.6360 0.23121E-08 -8.6360 0.10000E+01 0.0000 33 Ca(HCO3)+ 0.46568E-08 -8.3319 0.44777E-08 -8.3489 0.96154E+00 -0.0170 34 CaCl+ 0.36388E-08 -8.4390 0.34989E-08 -8.4561 0.96154E+00 -0.0170 35 CaCl2,aq 0.10807E-12 -12.9663 0.10807E-12 -12.9663 0.10000E+01 0.0000 36 CaOH+ 0.13946E-07 -7.8555 0.13410E-07 -7.8726 0.96154E+00 -0.0170 37 CaSO4,aq 0.11714E-06 -6.9313 0.11714E-06 -6.9313 0.10000E+01 0.0000 38 HCl,aq 0.21717E-11 -11.6632 0.21717E-11 -11.6632 0.10000E+01 0.0000 43 FeCl+ 0.13249E-10 -10.8778 0.12739E-10 -10.8949 0.96154E+00 -0.0170 44 FeCl2,aq 0.52411E-19 -19.2806 0.52411E-19 -19.2806 0.10000E+01 0.0000 46 FeO,aq 0.32186E-09 -9.4923 0.32186E-09 -9.4923 0.10000E+01 0.0000 47 FeOH+ 0.24425E-07 -7.6122 0.23486E-07 -7.6292 0.96154E+00 -0.0170 48 HFeO2- 0.41369E-10 -10.3833 0.39776E-10 -10.4004 0.96150E+00 -0.0171 49 FeO+ 0.74878E-12 -12.1256 0.71998E-12 -12.1427 0.96154E+00 -0.0170 50 FeOH+2 0.12931E-16 -16.8884 0.11661E-16 -16.9333 0.90178E+00 -0.0449 51 FeO2- 0.19428E-10 -10.7116 0.18680E-10 -10.7286 0.96150E+00 -0.0171 52 HFeO2,aq 0.20347E-09 -9.6915 0.20347E-09 -9.6915 0.10000E+01 0.0000 53 H2,aq 0.63019E-08 -8.2005 0.63014E-08 -8.2006 0.99992E+00 0.0000 54 KCl,aq 0.16777E-11 -11.7753 0.16777E-11 -11.7753 0.10000E+01 0.0000 55 KHSO4,aq 0.37785E-17 -17.4227 0.37785E-17 -17.4227 0.10000E+01 0.0000 56 KOH,aq 0.35776E-11 -11.4464 0.35776E-11 -11.4464 0.10000E+01 0.0000 57 KSO4- 0.25995E-09 -9.5851 0.24994E-09 -9.6022 0.96150E+00 -0.0171 58 MgCO3,aq 0.87019E-10 -10.0604 0.87019E-10 -10.0604 0.10000E+01 0.0000 59 Mg(HCO3)+ 0.71524E-09 -9.1455 0.68773E-09 -9.1626 0.96154E+00 -0.0170 60 MgCl+ 0.49755E-09 -9.3032 0.47842E-09 -9.3202 0.96154E+00 -0.0170 61 MgOH+ 0.11637E-07 -7.9341 0.11190E-07 -7.9512 0.96154E+00 -0.0170 63 MnO,aq 0.73334E-11 -11.1347 0.73334E-11 -11.1347 0.10000E+01 0.0000 64 MnOH+ 0.19366E-08 -8.7130 0.18621E-08 -8.7300 0.96154E+00 -0.0170 65 MnO2-2 0.37120E-19 -19.4304 0.33479E-19 -19.4752 0.90189E+00 -0.0448 66 HMnO2- 0.65661E-15 -15.1827 0.63133E-15 -15.1997 0.96150E+00 -0.0171 69 MnCl+ 0.43940E-10 -10.3571 0.42250E-10 -10.3742 0.96154E+00 -0.0170 70 MnSO4,aq 0.33875E-09 -9.4701 0.33875E-09 -9.4701 0.10000E+01 0.0000 71 NaCl,aq 0.68490E-08 -8.1644 0.68490E-08 -8.1644 0.10000E+01 0.0000 72 NaOH,aq 0.79829E-09 -9.0978 0.79829E-09 -9.0978 0.10000E+01 0.0000 74 OH- 0.71679E-05 -5.1446 0.68917E-05 -5.1617 0.96147E+00 -0.0171 79 HPO3-2 0.16955E-18 -18.7707 0.15292E-18 -18.8155 0.90189E+00 -0.0448 81 H2PO3- 0.27191E-19 -19.5656 0.26144E-19 -19.5826 0.96150E+00 -0.0171 82 H3PO4,aq 0.37470E-12 -12.4263 0.37470E-12 -12.4263 0.10000E+01 0.0000 83 H2PO4- 0.12193E-07 -7.9139 0.11724E-07 -7.9309 0.96152E+00 -0.0170 84 PO4-3 0.95031E-13 -13.0221 0.77089E-13 -13.1130 0.81120E+00 -0.0909 87 H2P2O7-2 0.11927E-16 -16.9235 0.10757E-16 -16.9683 0.90189E+00 -0.0448 88 HP2O7-3 0.31270E-16 -16.5049 0.25343E-16 -16.5961 0.81045E+00 -0.0913 89 P2O7-4 0.10288E-18 -18.9877 0.71832E-19 -19.1437 0.69820E+00 -0.1560 90 H2S,aq 0.40533E-07 -7.3922 0.40529E-07 -7.3922 0.99992E+00 0.0000 91 S2-2 0.92956E-16 -16.0317 0.83836E-16 -16.0766 0.90189E+00 -0.0448 96 SO2,aq 0.45427E-17 -17.3427 0.45427E-17 -17.3427 0.10000E+01 0.0000 97 SO3-2 0.21632E-13 -13.6649 0.19515E-13 -13.7096 0.90214E+00 -0.0447 98 HSO3- 0.10338E-12 -12.9856 0.99402E-13 -13.0026 0.96150E+00 -0.0171 99 HSO4- 0.19076E-08 -8.7195 0.18343E-08 -8.7365 0.96155E+00 -0.0170 101 S2O3-2 0.12030E-13 -13.9198 0.10849E-13 -13.9646 0.90189E+00 -0.0448 102 HS2O3- 0.17528E-18 -18.7563 0.16853E-18 -18.7733 0.96150E+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+ 0.9051157E-07 -.7861937E-05 -.7924248E-02 0.0000 2 H2O 0.1000000E+01 0.5550826E+02 0.9999837E+06 0.0000 3 Cl- 0.1379633E-03 0.1379744E-03 0.4891536E+01 3.1830 4 SO4-- 0.2518313E-04 0.2530123E-04 0.2430443E+01 9.4769 5 HCO3- 0.1116547E-04 0.1307002E-04 0.7974846E+00 2.0911 6 HS- 0.1611890E-06 0.2032693E-06 0.6722427E-02 0.2506 7 Al+++ 0.6404315E-18 0.5629670E-06 0.1518948E-01 2.8961 8 H4SiO4 0.3602360E-04 0.3644479E-04 0.3502856E+01 -4.4434 9 Ca++ 0.1835473E-04 0.1849658E-04 0.7412956E+00 9.3395 10 Mg++ 0.2764815E-05 0.2777781E-05 0.6753247E-01 8.5173 11 Fe++ 0.6837694E-07 0.9340251E-07 0.5216176E-02 6.9106 12 K+ 0.7428356E-06 0.7431008E-06 0.2905632E-01 0.9142 13 Na+ 0.1644559E-03 0.1644646E-03 0.3780954E+01 3.2593 14 Mn++ 0.5835852E-07 0.6068517E-07 0.3333875E-02 6.8418 15 HPO4-- 0.8518267E-08 0.2071155E-07 0.1987845E-02 6.0061 Component Tot moles Aq. moles Solid moles Gas moles 1 H+ -.4491480E-04 -.7861926E-05 -.3705288E-04 0.0000000E+00 2 H2O 0.5550821E+02 0.5550818E+02 0.2410139E-04 0.0000000E+00 3 Cl- 0.1379742E-03 0.1379742E-03 0.0000000E+00 0.0000000E+00 4 SO4-- 0.2560147E-04 0.2530120E-04 0.3002660E-06 0.0000000E+00 5 HCO3- 0.1307000E-04 0.1307000E-04 0.0000000E+00 0.0000000E+00 6 HS- -.9699693E-07 0.2032690E-06 -.3002660E-06 0.0000000E+00 7 Al+++ 0.1141260E-04 0.5629662E-06 0.1084963E-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 0.9340239E-07 0.2402128E-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: -.8470E-21 Mass of aqueous solution: 0.100001E+04 g Temperature = 100.00 C Pressure = 100.00 bar Mixer frac. = 0.0035000 Log Log Vol Gas or mineral Moles Moles Grams Grams Wt.% (cm3) diaspore 0.1085E-04 -4.965 0.6509E-03 -3.187 77.24 0.1938E-03 hematite 0.1201E-05 -5.920 0.1918E-03 -3.717 22.76 0.3636E-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: 1.0522 bar Gas Mole fraction phi Fugacity Partial P(bar) H2O,gas 0.9998E+00 0.9855 0.1037E+01 0.1052E+01 CO2,gas 0.2035E-03 1.0073 0.2157E-03 0.2141E-03 CH4,gas 0.1067E-09 1.0129 0.1137E-09 0.1122E-09 H2,gas 0.8210E-05 1.0006 0.8643E-05 0.8638E-05 H2S,gas 0.1128E-05 0.9959 0.1182E-05 0.1187E-05 S2,gas 0.6659E-21 1.0000 0.7006E-21 0.7006E-21 CO,gas 0.4589E-12 1.0000 0.4828E-12 0.4828E-12 SO3,gas 0.6114E-34 1.0000 0.6433E-34 0.6433E-34 SO2,gas 0.1999E-16 1.0000 0.2103E-16 0.2103E-16 HCl,gas 0.3644E-14 1.0000 0.3835E-14 0.3835E-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 2.90 2.90 0.00 0.000 0.37914E-11 90 hematite 12.60 12.60 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 1.98 0.00 -1.98 -1.984 0.33882E+04 0.016 2 CO2,gas -6.36 -12.03 -5.67 -1.889 0.96750E+04 -3.666 3 CH4,gas 4.81 -7.14 -11.94 -2.986 0.20395E+05 -9.944 4 H2,gas 8.29 1.22 -7.06 -4.036 0.12060E+05 -5.063 5 H2S,gas -5.94 -13.87 -7.93 -3.964 0.13536E+05 -5.927 6 S2,gas -7.03 -30.19 -23.15 -3.562 0.39536E+05 -21.155 7 CO,gas 3.51 -10.81 -14.32 -4.405 0.24445E+05 -12.316 8 SO3,gas 17.43 -18.76 -36.19 -9.048 0.61796E+05 -34.192 9 SO2,gas 1.14 -17.54 -18.68 -4.981 0.31891E+05 -16.677 10 HCl,gas 5.48 -10.94 -16.42 -8.208 0.28030E+05 -14.416 21 andalusite 5.06 1.35 -3.71 -0.371 0.63409E+04 24 anhydrite -5.28 -9.42 -4.15 -2.073 0.70777E+04 32 apatite-OH -17.99 -20.01 -2.02 -0.155 0.34477E+04 35 aragonite 0.99 -2.69 -3.68 -1.225 0.62771E+04 36 brucite 12.58 8.52 -4.06 -0.812 0.69311E+04 37 calcite 0.83 -2.69 -3.52 -1.174 0.60157E+04 40 carpholite-Mg 8.65 5.42 -3.23 -0.215 0.55112E+04 41 carpholite-Fe 6.78 3.82 -2.97 -0.198 0.50660E+04 46 clinochlore 39.19 35.05 -4.14 -0.130 0.70765E+04 47 daphnite 29.09 27.01 -2.08 -0.065 0.35504E+04 50 chloritoid-Mg 13.26 9.87 -3.40 -0.226 0.57971E+04 51 chloritoid-Fe 9.24 8.26 -0.98 -0.065 0.16722E+04 52 chloritoid-Mn 11.46 8.19 -3.27 -0.218 0.55880E+04 54 coesite -2.37 -4.44 -2.07 -0.691 0.35414E+04 59 corundum 8.43 5.79 -2.64 -0.240 0.45099E+04 61 cristobalite -2.55 -4.44 -1.89 -0.631 0.32343E+04 78 fayalite 14.08 9.38 -4.70 -0.672 0.80272E+04 83 gibbsite 4.10 2.90 -1.20 -0.172 0.20512E+04 87 greenalite 16.19 11.84 -4.35 -0.362 0.74262E+04 92 hercynite 17.34 12.70 -4.64 -0.309 0.79256E+04 98 kaolinite -1.27 -3.09 -1.82 -0.166 0.31102E+04 99 kyanite 4.93 1.35 -3.58 -0.358 0.61177E+04 102 lawsonite 9.68 6.24 -3.43 -0.229 0.58627E+04 106 magnesite 0.71 -3.51 -4.22 -1.407 0.72080E+04 107 magnetite 20.13 19.51 -0.62 -0.051 0.10664E+04 128 periclase-Fe 11.64 6.91 -4.73 -1.182 0.80739E+04 142 pyrite -21.23 -22.05 -0.83 -0.195 0.14132E+04 143 pyrrhotite -4.24 -6.96 -2.72 -0.905 0.46373E+04 144 pyrrhotiteFe0.875 -6.00 -7.97 -1.97 -0.726 0.33705E+04 147 quartz -2.98 -4.44 -1.46 -0.487 0.24953E+04 152 rhodochrosite -0.96 -5.19 -4.23 -1.410 0.72211E+04 156 siderite -2.59 -5.12 -2.53 -0.844 0.43220E+04 157 sillimanite 5.32 1.35 -3.97 -0.397 0.67831E+04 178 topaz-H 4.67 1.35 -3.32 -0.302 0.56667E+04 179 tridymite -2.61 -4.44 -1.83 -0.610 0.31226E+04 182 troilite-low -4.39 -6.96 -2.57 -0.855 0.43804E+04 193 akaganeite 7.77 6.30 -1.47 -0.318 0.25082E+04 200 chalcedony -2.79 -4.44 -1.65 -0.550 0.28156E+04 206 nontronite-Ca 3.28 -1.21 -4.49 -0.291 0.76711E+04 209 nontronite-Mg 3.14 -1.35 -4.49 -0.291 0.76629E+04 215 gypsum -4.92 -9.42 -4.50 -1.125 0.76844E+04 234 boehmite 4.43 2.90 -1.53 -0.256 0.26184E+04 236 ferrous-oxide 9.82 6.91 -2.91 -0.728 0.49749E+04 241 silica-amorphous -2.08 -4.44 -2.36 -0.788 0.40358E+04 Calculations done for 100.0000 Deg. C; 100.0000 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 = 100.00 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 = .2548335E-03 Osmotic coef. = 0.9904 True ionic strength = .2549928E-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+ 0.85970E-07 -7.0657 0.82667E-07 -7.0827 0.96158E+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 0.96147E+00 -0.0171 4 SO4-- 0.25176E-04 -4.5990 0.22704E-04 -4.6439 0.90183E+00 -0.0449 5 HCO3- 0.11246E-04 -4.9490 0.10813E-04 -4.9660 0.96150E+00 -0.0171 6 HS- 0.16845E-06 -6.7735 0.16196E-06 -6.7906 0.96148E+00 -0.0171 7 Al+++ 0.54888E-18 -18.2605 0.44472E-18 -18.3519 0.81024E+00 -0.0914 8 H4SiO4 0.37030E-04 -4.4314 0.37030E-04 -4.4314 0.10000E+01 0.0000 9 Ca++ 0.18468E-04 -4.7336 0.16653E-04 -4.7785 0.90170E+00 -0.0449 10 Mg++ 0.28432E-05 -5.5462 0.25635E-05 -5.5912 0.90163E+00 -0.0450 11 Fe++ 0.62436E-07 -7.2046 0.56295E-07 -7.2495 0.90165E+00 -0.0450 12 K+ 0.76406E-06 -6.1169 0.73465E-06 -6.1339 0.96150E+00 -0.0170 13 Na+ 0.16458E-03 -3.7836 0.15824E-03 -3.8007 0.96147E+00 -0.0171 14 Mn++ 0.59924E-07 -7.2224 0.54031E-07 -7.2674 0.90166E+00 -0.0450 15 HPO4-- 0.90289E-08 -8.0444 0.81426E-08 -8.0892 0.90183E+00 -0.0449 16 HSiO3- 0.45455E-06 -6.3424 0.43704E-06 -6.3595 0.96147E+00 -0.0171 17 Ca(HSiO3)+ 0.16959E-09 -9.7706 0.16306E-09 -9.7876 0.96151E+00 -0.0170 18 Mg(HSiO3)+ 0.32490E-10 -10.4883 0.31239E-10 -10.5053 0.96151E+00 -0.0170 19 NaHSiO3,aq 0.10984E-08 -8.9592 0.10984E-08 -8.9592 0.10000E+01 0.0000 20 AlO+ 0.87374E-11 -11.0586 0.84011E-11 -11.0757 0.96151E+00 -0.0170 21 AlOH+2 0.38584E-14 -14.4136 0.34790E-14 -14.4585 0.90168E+00 -0.0449 22 HAlO2,aq 0.20336E-07 -7.6917 0.20336E-07 -7.6917 0.10000E+01 0.0000 23 AlO2- 0.57132E-06 -6.2431 0.54929E-06 -6.2602 0.96144E+00 -0.0171 24 CH4,aq 0.75698E-13 -13.1209 0.75692E-13 -13.1209 0.99992E+00 0.0000 29 CO,aq 0.29960E-15 -15.5235 0.29960E-15 -15.5235 0.10000E+01 0.0000 30 CO2,aq 0.18024E-05 -5.7441 0.18023E-05 -5.7442 0.99992E+00 0.0000 31 CO3-2 0.13411E-07 -7.8725 0.12094E-07 -7.9174 0.90179E+00 -0.0449 32 CaCO3,aq 0.24666E-08 -8.6079 0.24666E-08 -8.6079 0.10000E+01 0.0000 33 Ca(HCO3)+ 0.47188E-08 -8.3262 0.45372E-08 -8.3432 0.96151E+00 -0.0170 34 CaCl+ 0.36609E-08 -8.4364 0.35199E-08 -8.4535 0.96151E+00 -0.0170 35 CaCl2,aq 0.10871E-12 -12.9637 0.10871E-12 -12.9637 0.10000E+01 0.0000 36 CaOH+ 0.14773E-07 -7.8305 0.14204E-07 -7.8476 0.96151E+00 -0.0170 37 CaSO4,aq 0.11780E-06 -6.9288 0.11780E-06 -6.9288 0.10000E+01 0.0000 38 HCl,aq 0.20626E-11 -11.6856 0.20626E-11 -11.6856 0.10000E+01 0.0000 43 FeCl+ 0.12096E-10 -10.9174 0.11631E-10 -10.9344 0.96151E+00 -0.0170 44 FeCl2,aq 0.47848E-19 -19.3201 0.47848E-19 -19.3201 0.10000E+01 0.0000 46 FeO,aq 0.32575E-09 -9.4871 0.32575E-09 -9.4871 0.10000E+01 0.0000 47 FeOH+ 0.23480E-07 -7.6293 0.22576E-07 -7.6464 0.96151E+00 -0.0170 48 HFeO2- 0.44082E-10 -10.3557 0.42384E-10 -10.3728 0.96147E+00 -0.0171 49 FeO+ 0.71121E-12 -12.1480 0.68384E-12 -12.1650 0.96151E+00 -0.0170 50 FeOH+2 0.11666E-16 -16.9331 0.10519E-16 -16.9780 0.90168E+00 -0.0449 51 FeO2- 0.20455E-10 -10.6892 0.19667E-10 -10.7063 0.96147E+00 -0.0171 52 HFeO2,aq 0.20347E-09 -9.6915 0.20347E-09 -9.6915 0.10000E+01 0.0000 53 H2,aq 0.64550E-08 -8.1901 0.64545E-08 -8.1901 0.99992E+00 0.0000 54 KCl,aq 0.17255E-11 -11.7631 0.17255E-11 -11.7631 0.10000E+01 0.0000 55 KHSO4,aq 0.36898E-17 -17.4330 0.36898E-17 -17.4330 0.10000E+01 0.0000 56 KOH,aq 0.38742E-11 -11.4118 0.38742E-11 -11.4118 0.10000E+01 0.0000 57 KSO4- 0.26727E-09 -9.5731 0.25697E-09 -9.5901 0.96147E+00 -0.0171 58 MgCO3,aq 0.94882E-10 -10.0228 0.94882E-10 -10.0228 0.10000E+01 0.0000 59 Mg(HCO3)+ 0.74074E-09 -9.1303 0.71223E-09 -9.1474 0.96151E+00 -0.0170 60 MgCl+ 0.51160E-09 -9.2911 0.49190E-09 -9.3081 0.96151E+00 -0.0170 61 MgOH+ 0.12599E-07 -7.8997 0.12114E-07 -7.9167 0.96151E+00 -0.0170 63 MnO,aq 0.83463E-11 -11.0785 0.83463E-11 -11.0785 0.10000E+01 0.0000 64 MnOH+ 0.20935E-08 -8.6791 0.20129E-08 -8.6962 0.96151E+00 -0.0170 65 MnO2-2 0.46837E-19 -19.3294 0.42237E-19 -19.3743 0.90179E+00 -0.0449 66 HMnO2- 0.78681E-15 -15.1041 0.75650E-15 -15.1212 0.96147E+00 -0.0171 69 MnCl+ 0.45114E-10 -10.3457 0.43377E-10 -10.3627 0.96151E+00 -0.0170 70 MnSO4,aq 0.34766E-09 -9.4588 0.34766E-09 -9.4588 0.10000E+01 0.0000 71 NaCl,aq 0.68539E-08 -8.1641 0.68539E-08 -8.1641 0.10000E+01 0.0000 72 NaOH,aq 0.84110E-09 -9.0752 0.84110E-09 -9.0752 0.10000E+01 0.0000 74 OH- 0.75470E-05 -5.1222 0.72560E-05 -5.1393 0.96144E+00 -0.0171 79 HPO3-2 0.18408E-18 -18.7350 0.16600E-18 -18.7799 0.90179E+00 -0.0449 81 H2PO3- 0.28036E-19 -19.5523 0.26956E-19 -19.5693 0.96147E+00 -0.0171 82 H3PO4,aq 0.35824E-12 -12.4458 0.35824E-12 -12.4458 0.10000E+01 0.0000 83 H2PO4- 0.12274E-07 -7.9110 0.11801E-07 -7.9281 0.96149E+00 -0.0171 84 PO4-3 0.10607E-12 -12.9744 0.86019E-13 -13.0654 0.81099E+00 -0.0910 87 H2P2O7-2 0.12087E-16 -16.9177 0.10900E-16 -16.9626 0.90179E+00 -0.0449 88 HP2O7-3 0.33369E-16 -16.4767 0.27037E-16 -16.5680 0.81024E+00 -0.0914 89 P2O7-4 0.11561E-18 -18.9370 0.80684E-19 -19.0932 0.69788E+00 -0.1562 90 H2S,aq 0.40232E-07 -7.3954 0.40229E-07 -7.3955 0.99992E+00 0.0000 91 S2-2 0.99121E-16 -16.0038 0.89387E-16 -16.0487 0.90179E+00 -0.0449 96 SO2,aq 0.41958E-17 -17.3772 0.41958E-17 -17.3772 0.10000E+01 0.0000 97 SO3-2 0.22151E-13 -13.6546 0.19981E-13 -13.6994 0.90204E+00 -0.0448 98 HSO3- 0.10054E-12 -12.9977 0.96664E-13 -13.0147 0.96147E+00 -0.0171 99 HSO4- 0.18112E-08 -8.7420 0.17415E-08 -8.7591 0.96153E+00 -0.0170 101 S2O3-2 0.11937E-13 -13.9231 0.10764E-13 -13.9680 0.90179E+00 -0.0449 102 HS2O3- 0.16518E-18 -18.7820 0.15881E-18 -18.7991 0.96147E+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+ 0.8597016E-07 -.8479066E-05 -.8546268E-02 0.0000 2 H2O 0.1000000E+01 0.5550826E+02 0.9999836E+06 0.0000 3 Cl- 0.1379633E-03 0.1379744E-03 0.4891536E+01 3.2054 4 SO4-- 0.2517559E-04 0.2529423E-04 0.2429770E+01 9.5214 5 HCO3- 0.1124616E-04 0.1307002E-04 0.7974845E+00 2.1166 6 HS- 0.1684532E-06 0.2102706E-06 0.6953972E-02 0.2921 7 Al+++ 0.5488815E-18 0.5916634E-06 0.1596374E-01 2.8961 8 H4SiO4 0.3703022E-04 0.3748607E-04 0.3602937E+01 -4.4314 9 Ca++ 0.1846801E-04 0.1861160E-04 0.7459050E+00 9.3868 10 Mg++ 0.2843168E-05 0.2857147E-05 0.6946196E-01 8.5742 11 Fe++ 0.6243558E-07 0.8652204E-07 0.4831927E-02 6.9158 12 K+ 0.7640594E-06 0.7643323E-06 0.2988649E-01 0.9487 13 Na+ 0.1645813E-03 0.1645901E-03 0.3783840E+01 3.2820 14 Mn++ 0.5992441E-07 0.6241903E-07 0.3429128E-02 6.8980 15 HPO4-- 0.9028931E-08 0.2130331E-07 0.2044641E-02 6.0761 Component Tot moles Aq. moles Solid moles Gas moles 1 H+ -.4657066E-04 -.8479054E-05 -.3809160E-04 0.0000000E+00 2 H2O 0.5550821E+02 0.5550818E+02 0.2477432E-04 0.0000000E+00 3 Cl- 0.1379742E-03 0.1379742E-03 0.0000000E+00 0.0000000E+00 4 SO4-- 0.2560424E-04 0.2529420E-04 0.3100386E-06 0.0000000E+00 5 HCO3- 0.1307000E-04 0.1307000E-04 0.0000000E+00 0.0000000E+00 6 HS- -.9976827E-07 0.2102704E-06 -.3100386E-06 0.0000000E+00 7 Al+++ 0.1173867E-04 0.5916626E-06 0.1114701E-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 0.8652192E-07 0.2480309E-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: -.2541E-20 Mass of aqueous solution: 0.100001E+04 g Temperature = 100.00 C Pressure = 100.00 bar Mixer frac. = 0.0036000 Log Log Vol Gas or mineral Moles Moles Grams Grams Wt.% (cm3) diaspore 0.1115E-04 -4.953 0.6687E-03 -3.175 77.15 0.1991E-03 hematite 0.1240E-05 -5.907 0.1981E-03 -3.703 22.85 0.3754E-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 = 0.000237 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: 1.0521 bar Gas Mole fraction phi Fugacity Partial P(bar) H2O,gas 0.9998E+00 0.9855 0.1037E+01 0.1052E+01 CO2,gas 0.1947E-03 1.0073 0.2063E-03 0.2048E-03 CH4,gas 0.1123E-09 1.0129 0.1197E-09 0.1182E-09 H2,gas 0.8409E-05 1.0006 0.8853E-05 0.8848E-05 H2S,gas 0.1120E-05 0.9959 0.1173E-05 0.1178E-05 S2,gas 0.6253E-21 1.0000 0.6579E-21 0.6579E-21 CO,gas 0.4496E-12 1.0000 0.4731E-12 0.4731E-12 SO3,gas 0.5513E-34 1.0000 0.5801E-34 0.5801E-34 SO2,gas 0.1846E-16 1.0000 0.1943E-16 0.1943E-16 HCl,gas 0.3461E-14 1.0000 0.3642E-14 0.3642E-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 2.90 2.90 0.00 0.000 0.37914E-11 90 hematite 12.60 12.60 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 1.98 0.00 -1.98 -1.984 0.33882E+04 0.016 2 CO2,gas -6.36 -12.05 -5.69 -1.895 0.97078E+04 -3.685 3 CH4,gas 4.81 -7.11 -11.92 -2.980 0.20356E+05 -9.922 4 H2,gas 8.29 1.23 -7.05 -4.030 0.12043E+05 -5.053 5 H2S,gas -5.94 -13.87 -7.93 -3.965 0.13541E+05 -5.931 6 S2,gas -7.03 -30.21 -23.18 -3.566 0.39582E+05 -21.182 7 CO,gas 3.51 -10.81 -14.33 -4.408 0.24460E+05 -12.325 8 SO3,gas 17.43 -18.81 -36.24 -9.059 0.61873E+05 -34.237 9 SO2,gas 1.14 -17.58 -18.71 -4.990 0.31950E+05 -16.712 10 HCl,gas 5.48 -10.96 -16.44 -8.219 0.28069E+05 -14.439 21 andalusite 5.06 1.36 -3.70 -0.370 0.63204E+04 24 anhydrite -5.28 -9.42 -4.14 -2.071 0.70735E+04 32 apatite-OH -17.99 -19.83 -1.84 -0.142 0.31432E+04 35 aragonite 0.99 -2.66 -3.65 -1.216 0.62291E+04 36 brucite 12.58 8.57 -4.00 -0.800 0.68341E+04 37 calcite 0.83 -2.66 -3.50 -1.165 0.59677E+04 40 carpholite-Mg 8.65 5.50 -3.15 -0.210 0.53733E+04 41 carpholite-Fe 6.78 3.85 -2.94 -0.196 0.50162E+04 46 clinochlore 39.19 35.37 -3.82 -0.120 0.65301E+04 47 daphnite 29.09 27.08 -2.02 -0.063 0.34446E+04 50 chloritoid-Mg 13.26 9.93 -3.33 -0.222 0.56796E+04 51 chloritoid-Fe 9.24 8.28 -0.96 -0.064 0.16428E+04 52 chloritoid-Mn 11.46 8.26 -3.20 -0.214 0.54716E+04 54 coesite -2.37 -4.43 -2.06 -0.687 0.35210E+04 59 corundum 8.43 5.79 -2.64 -0.240 0.45099E+04 61 cristobalite -2.55 -4.43 -1.88 -0.627 0.32139E+04 78 fayalite 14.08 9.40 -4.68 -0.668 0.79889E+04 83 gibbsite 4.10 2.90 -1.20 -0.172 0.20512E+04 87 greenalite 16.19 11.88 -4.31 -0.359 0.73587E+04 92 hercynite 17.34 12.71 -4.64 -0.309 0.79168E+04 98 kaolinite -1.27 -3.07 -1.80 -0.163 0.30693E+04 99 kyanite 4.93 1.36 -3.57 -0.357 0.60972E+04 102 lawsonite 9.68 6.32 -3.36 -0.224 0.57410E+04 106 magnesite 0.71 -3.47 -4.18 -1.395 0.71438E+04 107 magnetite 20.13 19.51 -0.62 -0.051 0.10576E+04 128 periclase-Fe 11.64 6.92 -4.72 -1.181 0.80650E+04 142 pyrite -21.23 -22.06 -0.84 -0.197 0.14332E+04 143 pyrrhotite -4.24 -6.96 -2.71 -0.905 0.46339E+04 144 pyrrhotiteFe0.875 -6.00 -7.97 -1.97 -0.726 0.33705E+04 145 pyroxmangite 7.42 2.47 -4.95 -0.990 0.84511E+04 147 quartz -2.98 -4.43 -1.45 -0.483 0.24749E+04 152 rhodochrosite -0.96 -5.15 -4.19 -1.397 0.71581E+04 153 rhodonite 7.46 2.47 -5.00 -0.999 0.85304E+04 156 siderite -2.59 -5.13 -2.55 -0.848 0.43459E+04 157 sillimanite 5.32 1.36 -3.96 -0.396 0.67626E+04 178 topaz-H 4.67 1.36 -3.31 -0.301 0.56463E+04 179 tridymite -2.61 -4.43 -1.82 -0.606 0.31022E+04 182 troilite-low -4.39 -6.96 -2.56 -0.854 0.43771E+04 193 akaganeite 7.77 6.30 -1.47 -0.318 0.25082E+04 200 chalcedony -2.79 -4.43 -1.64 -0.546 0.27952E+04 206 nontronite-Ca 3.28 -1.16 -4.44 -0.288 0.75827E+04 209 nontronite-Mg 3.14 -1.30 -4.43 -0.288 0.75719E+04 215 gypsum -4.92 -9.42 -4.50 -1.125 0.76802E+04 234 boehmite 4.43 2.90 -1.53 -0.256 0.26184E+04 236 ferrous-oxide 9.82 6.92 -2.91 -0.727 0.49660E+04 241 silica-amorphous -2.08 -4.43 -2.35 -0.784 0.40154E+04 Calculations done for 100.0000 Deg. C; 100.0000 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 = 100.00 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 = .2554086E-03 Osmotic coef. = 0.9904 True ionic strength = .2556940E-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+ 0.81807E-07 -7.0872 0.78662E-07 -7.1042 0.96156E+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 0.96145E+00 -0.0171 4 SO4-- 0.25168E-04 -4.5991 0.22695E-04 -4.6441 0.90172E+00 -0.0449 5 HCO3- 0.11321E-04 -4.9461 0.10885E-04 -4.9632 0.96147E+00 -0.0171 6 HS- 0.17564E-06 -6.7554 0.16887E-06 -6.7725 0.96145E+00 -0.0171 7 Al+++ 0.47303E-18 -18.3251 0.38316E-18 -18.4166 0.81003E+00 -0.0915 8 H4SiO4 0.38035E-04 -4.4198 0.38035E-04 -4.4198 0.10000E+01 0.0000 9 Ca++ 0.18581E-04 -4.7309 0.16753E-04 -4.7759 0.90160E+00 -0.0450 10 Mg++ 0.29215E-05 -5.5344 0.26338E-05 -5.5794 0.90152E+00 -0.0450 11 Fe++ 0.57191E-07 -7.2427 0.51560E-07 -7.2877 0.90154E+00 -0.0450 12 K+ 0.78528E-06 -6.1050 0.75503E-06 -6.1220 0.96148E+00 -0.0171 13 Na+ 0.16471E-03 -3.7833 0.15836E-03 -3.8004 0.96144E+00 -0.0171 14 Mn++ 0.61483E-07 -7.2112 0.55431E-07 -7.2562 0.90156E+00 -0.0450 15 HPO4-- 0.95467E-08 -8.0201 0.86085E-08 -8.0651 0.90173E+00 -0.0449 16 HSiO3- 0.49068E-06 -6.3092 0.47176E-06 -6.3263 0.96145E+00 -0.0171 17 Ca(HSiO3)+ 0.18417E-09 -9.7348 0.17708E-09 -9.7518 0.96148E+00 -0.0171 18 Mg(HSiO3)+ 0.36034E-10 -10.4433 0.34646E-10 -10.4603 0.96148E+00 -0.0171 19 NaHSiO3,aq 0.11865E-08 -8.9257 0.11865E-08 -8.9257 0.10000E+01 0.0000 20 AlO+ 0.83143E-11 -11.0802 0.79940E-11 -11.0972 0.96148E+00 -0.0171 21 AlOH+2 0.34939E-14 -14.4567 0.31500E-14 -14.5017 0.90157E+00 -0.0450 22 HAlO2,aq 0.20336E-07 -7.6917 0.20336E-07 -7.6917 0.10000E+01 0.0000 23 AlO2- 0.60043E-06 -6.2215 0.57726E-06 -6.2386 0.96141E+00 -0.0171 24 CH4,aq 0.79481E-13 -13.0997 0.79475E-13 -13.0998 0.99992E+00 0.0000 29 CO,aq 0.29364E-15 -15.5322 0.29364E-15 -15.5322 0.10000E+01 0.0000 30 CO2,aq 0.17265E-05 -5.7628 0.17263E-05 -5.7629 0.99992E+00 0.0000 31 CO3-2 0.14189E-07 -7.8480 0.12794E-07 -7.8930 0.90169E+00 -0.0449 32 CaCO3,aq 0.26251E-08 -8.5808 0.26251E-08 -8.5808 0.10000E+01 0.0000 33 Ca(HCO3)+ 0.47789E-08 -8.3207 0.45948E-08 -8.3377 0.96148E+00 -0.0171 34 CaCl+ 0.36829E-08 -8.4338 0.35410E-08 -8.4509 0.96148E+00 -0.0171 35 CaCl2,aq 0.10936E-12 -12.9611 0.10936E-12 -12.9611 0.10000E+01 0.0000 36 CaOH+ 0.15619E-07 -7.8063 0.15017E-07 -7.8234 0.96148E+00 -0.0171 37 CaSO4,aq 0.11846E-06 -6.9264 0.11846E-06 -6.9264 0.10000E+01 0.0000 38 HCl,aq 0.19626E-11 -11.7072 0.19626E-11 -11.7072 0.10000E+01 0.0000 43 FeCl+ 0.11079E-10 -10.9555 0.10652E-10 -10.9726 0.96148E+00 -0.0171 44 FeCl2,aq 0.43822E-19 -19.3583 0.43822E-19 -19.3583 0.10000E+01 0.0000 46 FeO,aq 0.32951E-09 -9.4821 0.32951E-09 -9.4821 0.10000E+01 0.0000 47 FeOH+ 0.22601E-07 -7.6459 0.21730E-07 -7.6629 0.96148E+00 -0.0171 48 HFeO2- 0.46863E-10 -10.3292 0.45056E-10 -10.3462 0.96145E+00 -0.0171 49 FeO+ 0.67677E-12 -12.1696 0.65070E-12 -12.1866 0.96148E+00 -0.0171 50 FeOH+2 0.10564E-16 -16.9762 0.95247E-17 -17.0212 0.90157E+00 -0.0450 51 FeO2- 0.21497E-10 -10.6676 0.20668E-10 -10.6847 0.96145E+00 -0.0171 52 HFeO2,aq 0.20347E-09 -9.6915 0.20347E-09 -9.6915 0.10000E+01 0.0000 53 H2,aq 0.66048E-08 -8.1801 0.66043E-08 -8.1802 0.99992E+00 0.0000 54 KCl,aq 0.17733E-11 -11.7512 0.17733E-11 -11.7512 0.10000E+01 0.0000 55 KHSO4,aq 0.36069E-17 -17.4429 0.36069E-17 -17.4429 0.10000E+01 0.0000 56 KOH,aq 0.41844E-11 -11.3784 0.41844E-11 -11.3784 0.10000E+01 0.0000 57 KSO4- 0.27458E-09 -9.5613 0.26399E-09 -9.5784 0.96145E+00 -0.0171 58 MgCO3,aq 0.10313E-09 -9.9866 0.10313E-09 -9.9866 0.10000E+01 0.0000 59 Mg(HCO3)+ 0.76612E-09 -9.1157 0.73661E-09 -9.1328 0.96148E+00 -0.0171 60 MgCl+ 0.52563E-09 -9.2793 0.50538E-09 -9.2964 0.96148E+00 -0.0171 61 MgOH+ 0.13604E-07 -7.8663 0.13080E-07 -7.8834 0.96148E+00 -0.0171 63 MnO,aq 0.94566E-11 -11.0243 0.94566E-11 -11.0243 0.10000E+01 0.0000 64 MnOH+ 0.22572E-08 -8.6464 0.21702E-08 -8.6635 0.96148E+00 -0.0171 65 MnO2-2 0.58616E-19 -19.2320 0.52853E-19 -19.2769 0.90169E+00 -0.0449 66 HMnO2- 0.93691E-15 -15.0283 0.90078E-15 -15.0454 0.96145E+00 -0.0171 69 MnCl+ 0.46282E-10 -10.3346 0.44500E-10 -10.3516 0.96148E+00 -0.0171 70 MnSO4,aq 0.35652E-09 -9.4479 0.35652E-09 -9.4479 0.10000E+01 0.0000 71 NaCl,aq 0.68587E-08 -8.1638 0.68587E-08 -8.1638 0.10000E+01 0.0000 72 NaOH,aq 0.88458E-09 -9.0533 0.88458E-09 -9.0533 0.10000E+01 0.0000 74 OH- 0.79315E-05 -5.1006 0.76255E-05 -5.1177 0.96141E+00 -0.0171 79 HPO3-2 0.19915E-18 -18.7008 0.17957E-18 -18.7458 0.90169E+00 -0.0449 81 H2PO3- 0.28860E-19 -19.5397 0.27747E-19 -19.5568 0.96145E+00 -0.0171 82 H3PO4,aq 0.34293E-12 -12.4648 0.34293E-12 -12.4648 0.10000E+01 0.0000 83 H2PO4- 0.12348E-07 -7.9084 0.11872E-07 -7.9255 0.96146E+00 -0.0171 84 PO4-3 0.11788E-12 -12.9286 0.95572E-13 -13.0197 0.81079E+00 -0.0911 87 H2P2O7-2 0.12234E-16 -16.9124 0.11031E-16 -16.9574 0.90169E+00 -0.0449 88 HP2O7-3 0.35499E-16 -16.4498 0.28755E-16 -16.5413 0.81003E+00 -0.0915 89 P2O7-4 0.12928E-18 -18.8885 0.90182E-19 -19.0449 0.69756E+00 -0.1564 90 H2S,aq 0.39914E-07 -7.3989 0.39911E-07 -7.3989 0.99992E+00 0.0000 91 S2-2 0.10532E-15 -15.9775 0.94965E-16 -16.0224 0.90169E+00 -0.0449 96 SO2,aq 0.38857E-17 -17.4105 0.38857E-17 -17.4105 0.10000E+01 0.0000 97 SO3-2 0.22658E-13 -13.6448 0.20436E-13 -13.6896 0.90194E+00 -0.0448 98 HSO3- 0.97851E-13 -13.0094 0.94078E-13 -13.0265 0.96145E+00 -0.0171 99 HSO4- 0.17228E-08 -8.7638 0.16564E-08 -8.7808 0.96150E+00 -0.0171 101 S2O3-2 0.11839E-13 -13.9267 0.10675E-13 -13.9716 0.90169E+00 -0.0449 102 HS2O3- 0.15588E-18 -18.8072 0.14987E-18 -18.8243 0.96145E+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+ 0.8180719E-07 -.9098859E-05 -.9170972E-02 0.0000 2 H2O 0.1000000E+01 0.5550826E+02 0.9999835E+06 0.0000 3 Cl- 0.1379632E-03 0.1379744E-03 0.4891535E+01 3.2269 4 SO4-- 0.2516814E-04 0.2528733E-04 0.2429106E+01 9.5644 5 HCO3- 0.1132109E-04 0.1307002E-04 0.7974845E+00 2.1411 6 HS- 0.1756391E-06 0.2171765E-06 0.7182359E-02 0.3318 7 Al+++ 0.4730259E-18 0.6207705E-06 0.1674908E-01 2.8961 8 H4SiO4 0.3803527E-04 0.3852735E-04 0.3703019E+01 -4.4198 9 Ca++ 0.1858126E-04 0.1872661E-04 0.7505145E+00 9.4326 10 Mg++ 0.2921478E-05 0.2936512E-05 0.7139145E-01 8.6290 11 Fe++ 0.5719123E-07 0.8040516E-07 0.4490322E-02 6.9208 12 K+ 0.7852832E-06 0.7855637E-06 0.3071667E-01 0.9822 13 Na+ 0.1647067E-03 0.1647156E-03 0.3786725E+01 3.3039 14 Mn++ 0.6148349E-07 0.6415290E-07 0.3524381E-02 6.9522 15 HPO4-- 0.9546691E-08 0.2189506E-07 0.2101436E-02 6.1434 Component Tot moles Aq. moles Solid moles Gas moles 1 H+ -.4822651E-04 -.9098846E-05 -.3912766E-04 0.0000000E+00 2 H2O 0.5550820E+02 0.5550818E+02 0.2544568E-04 0.0000000E+00 3 Cl- 0.1379742E-03 0.1379742E-03 0.0000000E+00 0.0000000E+00 4 SO4-- 0.2560701E-04 0.2528729E-04 0.3197158E-06 0.0000000E+00 5 HCO3- 0.1307000E-04 0.1307000E-04 0.0000000E+00 0.0000000E+00 6 HS- -.1025396E-06 0.2171762E-06 -.3197158E-06 0.0000000E+00 7 Al+++ 0.1206474E-04 0.6207696E-06 0.1144397E-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 0.8040505E-07 0.2557727E-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: -.1694E-20 Mass of aqueous solution: 0.100001E+04 g Temperature = 100.00 C Pressure = 100.00 bar Mixer frac. = 0.0037000 Log Log Vol Gas or mineral Moles Moles Grams Grams Wt.% (cm3) diaspore 0.1144E-04 -4.941 0.6865E-03 -3.163 77.07 0.2044E-03 hematite 0.1279E-05 -5.893 0.2042E-03 -3.690 22.93 0.3871E-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 = 0.000891 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: 1.0521 bar Gas Mole fraction phi Fugacity Partial P(bar) H2O,gas 0.9998E+00 0.9855 0.1037E+01 0.1052E+01 CO2,gas 0.1865E-03 1.0073 0.1976E-03 0.1962E-03 CH4,gas 0.1179E-09 1.0129 0.1257E-09 0.1241E-09 H2,gas 0.8605E-05 1.0006 0.9058E-05 0.9053E-05 H2S,gas 0.1111E-05 0.9959 0.1164E-05 0.1169E-05 S2,gas 0.5879E-21 1.0000 0.6185E-21 0.6185E-21 CO,gas 0.4407E-12 1.0000 0.4637E-12 0.4637E-12 SO3,gas 0.4990E-34 1.0000 0.5250E-34 0.5250E-34 SO2,gas 0.1710E-16 1.0000 0.1799E-16 0.1799E-16 HCl,gas 0.3294E-14 1.0000 0.3465E-14 0.3465E-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 2.90 2.90 0.00 0.000 0.37914E-11 90 hematite 12.60 12.60 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 1.98 0.00 -1.98 -1.984 0.33882E+04 0.016 2 CO2,gas -6.36 -12.07 -5.70 -1.901 0.97398E+04 -3.704 3 CH4,gas 4.81 -7.09 -11.90 -2.975 0.20320E+05 -9.901 4 H2,gas 8.29 1.24 -7.04 -4.025 0.12026E+05 -5.043 5 H2S,gas -5.94 -13.88 -7.93 -3.967 0.13547E+05 -5.934 6 S2,gas -7.03 -30.24 -23.21 -3.571 0.39628E+05 -21.209 7 CO,gas 3.51 -10.82 -14.33 -4.410 0.24475E+05 -12.334 8 SO3,gas 17.43 -18.85 -36.28 -9.070 0.61947E+05 -34.280 9 SO2,gas 1.14 -17.61 -18.74 -4.999 0.32007E+05 -16.745 10 HCl,gas 5.48 -10.98 -16.46 -8.230 0.28105E+05 -14.460 21 andalusite 5.06 1.37 -3.69 -0.369 0.63006E+04 24 anhydrite -5.28 -9.42 -4.14 -2.070 0.70693E+04 32 apatite-OH -17.99 -19.66 -1.67 -0.128 0.28499E+04 35 aragonite 0.99 -2.63 -3.62 -1.207 0.61829E+04 36 brucite 12.58 8.63 -3.95 -0.790 0.67403E+04 37 calcite 0.83 -2.63 -3.47 -1.156 0.59215E+04 40 carpholite-Mg 8.65 5.58 -3.07 -0.205 0.52399E+04 41 carpholite-Fe 6.78 3.87 -2.91 -0.194 0.49680E+04 46 clinochlore 39.19 35.68 -3.52 -0.110 0.60019E+04 47 daphnite 29.09 27.14 -1.96 -0.061 0.33425E+04 50 chloritoid-Mg 13.26 10.00 -3.26 -0.217 0.55661E+04 51 chloritoid-Fe 9.24 8.29 -0.95 -0.063 0.16145E+04 52 chloritoid-Mn 11.46 8.32 -3.14 -0.209 0.53591E+04 54 coesite -2.37 -4.42 -2.05 -0.683 0.35011E+04 59 corundum 8.43 5.79 -2.64 -0.240 0.45099E+04 61 cristobalite -2.55 -4.42 -1.87 -0.624 0.31940E+04 78 fayalite 14.08 9.42 -4.66 -0.665 0.79520E+04 83 gibbsite 4.10 2.90 -1.20 -0.172 0.20512E+04 87 greenalite 16.19 11.92 -4.27 -0.356 0.72934E+04 92 hercynite 17.34 12.71 -4.63 -0.309 0.79082E+04 98 kaolinite -1.27 -3.05 -1.77 -0.161 0.30296E+04 99 kyanite 4.93 1.37 -3.56 -0.356 0.60774E+04 102 lawsonite 9.68 6.39 -3.29 -0.220 0.56232E+04 106 magnesite 0.71 -3.44 -4.15 -1.383 0.70820E+04 107 magnetite 20.13 19.52 -0.61 -0.050 0.10490E+04 128 periclase-Fe 11.64 6.92 -4.72 -1.180 0.80565E+04 142 pyrite -21.23 -22.08 -0.85 -0.200 0.14534E+04 143 pyrrhotite -4.24 -6.96 -2.71 -0.904 0.46312E+04 144 pyrrhotiteFe0.875 -6.00 -7.98 -1.97 -0.726 0.33710E+04 145 pyroxmangite 7.42 2.53 -4.88 -0.977 0.83387E+04 147 quartz -2.98 -4.42 -1.44 -0.479 0.24550E+04 152 rhodochrosite -0.96 -5.12 -4.16 -1.386 0.70974E+04 153 rhodonite 7.46 2.53 -4.93 -0.986 0.84179E+04 156 siderite -2.59 -5.15 -2.56 -0.853 0.43693E+04 157 sillimanite 5.32 1.37 -3.95 -0.395 0.67428E+04 178 topaz-H 4.67 1.37 -3.30 -0.300 0.56265E+04 179 tridymite -2.61 -4.42 -1.81 -0.602 0.30823E+04 182 troilite-low -4.39 -6.96 -2.56 -0.854 0.43744E+04 193 akaganeite 7.77 6.30 -1.47 -0.318 0.25082E+04 200 chalcedony -2.79 -4.42 -1.63 -0.542 0.27753E+04 206 nontronite-Ca 3.28 -1.11 -4.39 -0.285 0.74970E+04 209 nontronite-Mg 3.14 -1.24 -4.38 -0.284 0.74836E+04 215 gypsum -4.92 -9.42 -4.50 -1.124 0.76761E+04 234 boehmite 4.43 2.90 -1.53 -0.256 0.26184E+04 236 ferrous-oxide 9.82 6.92 -2.90 -0.726 0.49575E+04 241 silica-amorphous -2.08 -4.42 -2.34 -0.780 0.39955E+04 Calculations done for 100.0000 Deg. C; 100.0000 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 = 100.00 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 = .2559869E-03 Osmotic coef. = 0.9904 True ionic strength = .2563974E-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+ 0.77984E-07 -7.1080 0.74984E-07 -7.1250 0.96153E+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 0.96142E+00 -0.0171 4 SO4-- 0.25161E-04 -4.5993 0.22685E-04 -4.6443 0.90162E+00 -0.0450 5 HCO3- 0.11391E-04 -4.9434 0.10952E-04 -4.9605 0.96144E+00 -0.0171 6 HS- 0.18275E-06 -6.7381 0.17570E-06 -6.7552 0.96142E+00 -0.0171 7 Al+++ 0.40983E-18 -18.3874 0.33189E-18 -18.4790 0.80982E+00 -0.0916 8 H4SiO4 0.39039E-04 -4.4085 0.39039E-04 -4.4085 0.10000E+01 0.0000 9 Ca++ 0.18694E-04 -4.7283 0.16853E-04 -4.7733 0.90150E+00 -0.0450 10 Mg++ 0.29997E-05 -5.5229 0.27040E-05 -5.5680 0.90142E+00 -0.0451 11 Fe++ 0.52548E-07 -7.2794 0.47369E-07 -7.3245 0.90144E+00 -0.0451 12 K+ 0.80651E-06 -6.0934 0.77542E-06 -6.1105 0.96145E+00 -0.0171 13 Na+ 0.16483E-03 -3.7830 0.15847E-03 -3.8000 0.96142E+00 -0.0171 14 Mn++ 0.63036E-07 -7.2004 0.56824E-07 -7.2455 0.90145E+00 -0.0451 15 HPO4-- 0.10071E-07 -7.9969 0.90800E-08 -8.0419 0.90162E+00 -0.0450 16 HSiO3- 0.52834E-06 -6.2771 0.50796E-06 -6.2942 0.96142E+00 -0.0171 17 Ca(HSiO3)+ 0.19949E-09 -9.7001 0.19180E-09 -9.7171 0.96145E+00 -0.0171 18 Mg(HSiO3)+ 0.39835E-10 -10.3997 0.38299E-10 -10.4168 0.96145E+00 -0.0171 19 NaHSiO3,aq 0.12785E-08 -8.8933 0.12785E-08 -8.8933 0.10000E+01 0.0000 20 AlO+ 0.79257E-11 -11.1010 0.76202E-11 -11.1180 0.96145E+00 -0.0171 21 AlOH+2 0.31752E-14 -14.4982 0.28623E-14 -14.5433 0.90147E+00 -0.0450 22 HAlO2,aq 0.20336E-07 -7.6917 0.20336E-07 -7.6917 0.10000E+01 0.0000 23 AlO2- 0.62990E-06 -6.2007 0.60557E-06 -6.2178 0.96139E+00 -0.0171 24 CH4,aq 0.83238E-13 -13.0797 0.83231E-13 -13.0797 0.99992E+00 0.0000 29 CO,aq 0.28789E-15 -15.5408 0.28789E-15 -15.5408 0.10000E+01 0.0000 30 CO2,aq 0.16558E-05 -5.7810 0.16557E-05 -5.7810 0.99992E+00 0.0000 31 CO3-2 0.14978E-07 -7.8245 0.13504E-07 -7.8695 0.90158E+00 -0.0450 32 CaCO3,aq 0.27873E-08 -8.5548 0.27873E-08 -8.5548 0.10000E+01 0.0000 33 Ca(HCO3)+ 0.48370E-08 -8.3154 0.46505E-08 -8.3325 0.96145E+00 -0.0171 34 CaCl+ 0.37049E-08 -8.4312 0.35621E-08 -8.4483 0.96145E+00 -0.0171 35 CaCl2,aq 0.11001E-12 -12.9586 0.11001E-12 -12.9586 0.10000E+01 0.0000 36 CaOH+ 0.16484E-07 -7.7829 0.15848E-07 -7.8000 0.96145E+00 -0.0171 37 CaSO4,aq 0.11912E-06 -6.9240 0.11912E-06 -6.9240 0.10000E+01 0.0000 38 HCl,aq 0.18708E-11 -11.7280 0.18708E-11 -11.7280 0.10000E+01 0.0000 43 FeCl+ 0.10178E-10 -10.9923 0.97859E-11 -11.0094 0.96145E+00 -0.0171 44 FeCl2,aq 0.40257E-19 -19.3952 0.40257E-19 -19.3952 0.10000E+01 0.0000 46 FeO,aq 0.33315E-09 -9.4774 0.33315E-09 -9.4774 0.10000E+01 0.0000 47 FeOH+ 0.21783E-07 -7.6619 0.20943E-07 -7.6790 0.96145E+00 -0.0171 48 HFeO2- 0.49706E-10 -10.3036 0.47789E-10 -10.3207 0.96142E+00 -0.0171 49 FeO+ 0.64515E-12 -12.1903 0.62028E-12 -12.2074 0.96145E+00 -0.0171 50 FeOH+2 0.96007E-17 -17.0177 0.86547E-17 -17.0627 0.90147E+00 -0.0450 51 FeO2- 0.22552E-10 -10.6468 0.21682E-10 -10.6639 0.96142E+00 -0.0171 52 HFeO2,aq 0.20347E-09 -9.6915 0.20347E-09 -9.6915 0.10000E+01 0.0000 53 H2,aq 0.67517E-08 -8.1706 0.67512E-08 -8.1706 0.99992E+00 0.0000 54 KCl,aq 0.18211E-11 -11.7397 0.18211E-11 -11.7397 0.10000E+01 0.0000 55 KHSO4,aq 0.35296E-17 -17.4523 0.35296E-17 -17.4523 0.10000E+01 0.0000 56 KOH,aq 0.45082E-11 -11.3460 0.45082E-11 -11.3460 0.10000E+01 0.0000 57 KSO4- 0.28188E-09 -9.5499 0.27101E-09 -9.5670 0.96142E+00 -0.0171 58 MgCO3,aq 0.11175E-09 -9.9517 0.11175E-09 -9.9517 0.10000E+01 0.0000 59 Mg(HCO3)+ 0.79139E-09 -9.1016 0.76089E-09 -9.1187 0.96145E+00 -0.0171 60 MgCl+ 0.53965E-09 -9.2679 0.51884E-09 -9.2850 0.96145E+00 -0.0171 61 MgOH+ 0.14652E-07 -7.8341 0.14087E-07 -7.8512 0.96145E+00 -0.0171 63 MnO,aq 0.10669E-10 -10.9719 0.10669E-10 -10.9719 0.10000E+01 0.0000 64 MnOH+ 0.24274E-08 -8.6148 0.23339E-08 -8.6319 0.96145E+00 -0.0171 65 MnO2-2 0.72784E-19 -19.1380 0.65621E-19 -19.1830 0.90158E+00 -0.0450 66 HMnO2- 0.11089E-14 -14.9551 0.10661E-14 -14.9722 0.96142E+00 -0.0171 69 MnCl+ 0.47445E-10 -10.3238 0.45617E-10 -10.3409 0.96145E+00 -0.0171 70 MnSO4,aq 0.36533E-09 -9.4373 0.36533E-09 -9.4373 0.10000E+01 0.0000 71 NaCl,aq 0.68635E-08 -8.1635 0.68635E-08 -8.1635 0.10000E+01 0.0000 72 NaOH,aq 0.92865E-09 -9.0321 0.92865E-09 -9.0321 0.10000E+01 0.0000 74 OH- 0.83208E-05 -5.0798 0.79995E-05 -5.0969 0.96139E+00 -0.0171 79 HPO3-2 0.21476E-18 -18.6681 0.19362E-18 -18.7130 0.90158E+00 -0.0450 81 H2PO3- 0.29664E-19 -19.5278 0.28519E-19 -19.5449 0.96142E+00 -0.0171 82 H3PO4,aq 0.32868E-12 -12.4832 0.32868E-12 -12.4832 0.10000E+01 0.0000 83 H2PO4- 0.12416E-07 -7.9060 0.11937E-07 -7.9231 0.96144E+00 -0.0171 84 PO4-3 0.13046E-12 -12.8845 0.10575E-12 -12.9757 0.81058E+00 -0.0912 87 H2P2O7-2 0.12369E-16 -16.9077 0.11152E-16 -16.9527 0.90158E+00 -0.0450 88 HP2O7-3 0.37657E-16 -16.4241 0.30496E-16 -16.5158 0.80982E+00 -0.0916 89 P2O7-4 0.14390E-18 -18.8419 0.10033E-18 -18.9986 0.69724E+00 -0.1566 90 H2S,aq 0.39588E-07 -7.4024 0.39585E-07 -7.4025 0.99992E+00 0.0000 91 S2-2 0.11155E-15 -15.9525 0.10057E-15 -15.9975 0.90158E+00 -0.0450 96 SO2,aq 0.36078E-17 -17.4428 0.36078E-17 -17.4428 0.10000E+01 0.0000 97 SO3-2 0.23155E-13 -13.6353 0.20882E-13 -13.6802 0.90183E+00 -0.0449 98 HSO3- 0.95313E-13 -13.0208 0.91636E-13 -13.0379 0.96142E+00 -0.0171 99 HSO4- 0.16416E-08 -8.7847 0.15783E-08 -8.8018 0.96147E+00 -0.0171 101 S2O3-2 0.11739E-13 -13.9304 0.10583E-13 -13.9754 0.90158E+00 -0.0450 102 HS2O3- 0.14732E-18 -18.8318 0.14163E-18 -18.8488 0.96142E+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+ 0.7798407E-07 -.9720988E-05 -.9798030E-02 0.0000 2 H2O 0.1000000E+01 0.5550826E+02 0.9999834E+06 0.0000 3 Cl- 0.1379632E-03 0.1379744E-03 0.4891535E+01 3.2477 4 SO4-- 0.2516076E-04 0.2528051E-04 0.2428451E+01 9.6058 5 HCO3- 0.1139070E-04 0.1307002E-04 0.7974844E+00 2.1645 6 HS- 0.1827522E-06 0.2239996E-06 0.7408008E-02 0.3698 7 Al+++ 0.4098296E-18 0.6502419E-06 0.1754425E-01 2.8961 8 H4SiO4 0.3903877E-04 0.3956863E-04 0.3803100E+01 -4.4085 9 Ca++ 0.1869450E-04 0.1884163E-04 0.7551239E+00 9.4767 10 Mg++ 0.2999743E-05 0.3015877E-05 0.7332095E-01 8.6821 11 Fe++ 0.5254834E-07 0.7495089E-07 0.4185722E-02 6.9256 12 K+ 0.8065070E-06 0.8067952E-06 0.3154685E-01 1.0146 13 Na+ 0.1648321E-03 0.1648412E-03 0.3789610E+01 3.3250 14 Mn++ 0.6303587E-07 0.6588676E-07 0.3619634E-02 7.0046 15 HPO4-- 0.1007076E-07 0.2248682E-07 0.2158232E-02 6.2082 Component Tot moles Aq. moles Solid moles Gas moles 1 H+ -.4988236E-04 -.9720973E-05 -.4016139E-04 0.0000000E+00 2 H2O 0.5550820E+02 0.5550818E+02 0.2611564E-04 0.0000000E+00 3 Cl- 0.1379742E-03 0.1379742E-03 0.0000000E+00 0.0000000E+00 4 SO4-- 0.2560978E-04 0.2528047E-04 0.3293102E-06 0.0000000E+00 5 HCO3- 0.1307000E-04 0.1307000E-04 0.0000000E+00 0.0000000E+00 6 HS- -.1053110E-06 0.2239993E-06 -.3293102E-06 0.0000000E+00 7 Al+++ 0.1239082E-04 0.6502409E-06 0.1174058E-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 0.7495078E-07 0.2634482E-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: -.5082E-20 Mass of aqueous solution: 0.100001E+04 g Temperature = 100.00 C Pressure = 100.00 bar Mixer frac. = 0.0038000 Log Log Vol Gas or mineral Moles Moles Grams Grams Wt.% (cm3) diaspore 0.1174E-04 -4.930 0.7043E-03 -3.152 77.00 0.2097E-03 hematite 0.1317E-05 -5.880 0.2104E-03 -3.677 23.00 0.3987E-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 = 0.000915 g Volume = 0.000250 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: 1.0521 bar Gas Mole fraction phi Fugacity Partial P(bar) H2O,gas 0.9998E+00 0.9855 0.1037E+01 0.1052E+01 CO2,gas 0.1788E-03 1.0073 0.1895E-03 0.1881E-03 CH4,gas 0.1235E-09 1.0129 0.1316E-09 0.1299E-09 H2,gas 0.8796E-05 1.0006 0.9260E-05 0.9255E-05 H2S,gas 0.1102E-05 0.9959 0.1155E-05 0.1159E-05 S2,gas 0.5534E-21 1.0000 0.5822E-21 0.5822E-21 CO,gas 0.4321E-12 1.0000 0.4546E-12 0.4546E-12 SO3,gas 0.4532E-34 1.0000 0.4769E-34 0.4769E-34 SO2,gas 0.1588E-16 1.0000 0.1670E-16 0.1670E-16 HCl,gas 0.3140E-14 1.0000 0.3303E-14 0.3303E-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 2.90 2.90 0.00 0.000 0.37914E-11 90 hematite 12.60 12.60 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 1.98 0.00 -1.98 -1.984 0.33882E+04 0.016 2 CO2,gas -6.36 -12.09 -5.72 -1.907 0.97707E+04 -3.722 3 CH4,gas 4.81 -7.07 -11.88 -2.970 0.20286E+05 -9.881 4 H2,gas 8.29 1.25 -7.03 -4.019 0.12009E+05 -5.033 5 H2S,gas -5.94 -13.88 -7.94 -3.969 0.13553E+05 -5.938 6 S2,gas -7.03 -30.27 -23.23 -3.575 0.39673E+05 -21.235 7 CO,gas 3.51 -10.83 -14.34 -4.413 0.24489E+05 -12.342 8 SO3,gas 17.43 -18.89 -36.32 -9.080 0.62018E+05 -34.322 9 SO2,gas 1.14 -17.64 -18.78 -5.007 0.32062E+05 -16.777 10 HCl,gas 5.48 -11.00 -16.48 -8.241 0.28141E+05 -14.481 21 andalusite 5.06 1.38 -3.68 -0.368 0.62813E+04 24 anhydrite -5.28 -9.42 -4.14 -2.069 0.70652E+04 32 apatite-OH -17.99 -19.49 -1.50 -0.116 0.25671E+04 35 aragonite 0.99 -2.61 -3.60 -1.198 0.61384E+04 36 brucite 12.58 8.68 -3.89 -0.779 0.66498E+04 37 calcite 0.83 -2.61 -3.44 -1.147 0.58771E+04 40 carpholite-Mg 8.65 5.66 -2.99 -0.200 0.51107E+04 41 carpholite-Fe 6.78 3.90 -2.88 -0.192 0.49212E+04 46 clinochlore 39.19 35.98 -3.22 -0.101 0.54913E+04 47 daphnite 29.09 27.19 -1.90 -0.059 0.32438E+04 50 chloritoid-Mg 13.26 10.07 -3.20 -0.213 0.54562E+04 51 chloritoid-Fe 9.24 8.31 -0.93 -0.062 0.15870E+04 52 chloritoid-Mn 11.46 8.39 -3.07 -0.205 0.52504E+04 54 coesite -2.37 -4.41 -2.04 -0.680 0.34818E+04 59 corundum 8.43 5.79 -2.64 -0.240 0.45099E+04 61 cristobalite -2.55 -4.41 -1.86 -0.620 0.31747E+04 78 fayalite 14.08 9.44 -4.64 -0.662 0.79164E+04 83 gibbsite 4.10 2.90 -1.20 -0.172 0.20512E+04 87 greenalite 16.19 11.96 -4.23 -0.353 0.72304E+04 92 hercynite 17.34 12.72 -4.63 -0.308 0.79001E+04 98 kaolinite -1.27 -3.02 -1.75 -0.159 0.29910E+04 99 kyanite 4.93 1.38 -3.55 -0.355 0.60581E+04 102 lawsonite 9.68 6.45 -3.23 -0.215 0.55091E+04 106 magnesite 0.71 -3.40 -4.11 -1.371 0.70225E+04 107 magnetite 20.13 19.52 -0.61 -0.050 0.10409E+04 110 magnesioferrite 26.26 21.28 -4.98 -0.406 0.84991E+04 128 periclase-Fe 11.64 6.93 -4.71 -1.178 0.80483E+04 142 pyrite -21.23 -22.09 -0.86 -0.203 0.14738E+04 143 pyrrhotite -4.24 -6.95 -2.71 -0.904 0.46292E+04 144 pyrrhotiteFe0.875 -6.00 -7.98 -1.97 -0.726 0.33720E+04 145 pyroxmangite 7.42 2.60 -4.82 -0.964 0.82299E+04 147 quartz -2.98 -4.41 -1.43 -0.476 0.24357E+04 152 rhodochrosite -0.96 -5.08 -4.12 -1.374 0.70389E+04 153 rhodonite 7.46 2.60 -4.87 -0.973 0.83092E+04 156 siderite -2.59 -5.16 -2.57 -0.857 0.43922E+04 157 sillimanite 5.32 1.38 -3.94 -0.394 0.67235E+04 178 topaz-H 4.67 1.38 -3.28 -0.299 0.56071E+04 179 tridymite -2.61 -4.41 -1.79 -0.598 0.30630E+04 182 troilite-low -4.39 -6.95 -2.56 -0.854 0.43724E+04 193 akaganeite 7.77 6.30 -1.47 -0.318 0.25082E+04 200 chalcedony -2.79 -4.41 -1.61 -0.538 0.27560E+04 206 nontronite-Ca 3.28 -1.06 -4.34 -0.282 0.74136E+04 209 nontronite-Mg 3.14 -1.19 -4.33 -0.281 0.73978E+04 215 gypsum -4.92 -9.42 -4.49 -1.123 0.76720E+04 234 boehmite 4.43 2.90 -1.53 -0.256 0.26184E+04 236 ferrous-oxide 9.82 6.93 -2.90 -0.725 0.49494E+04 241 silica-amorphous -2.08 -4.41 -2.33 -0.776 0.39762E+04 Calculations done for 100.0000 Deg. C; 100.0000 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 = 100.00 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 = .2565679E-03 Osmotic coef. = 0.9904 True ionic strength = .2571026E-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+ 0.74466E-07 -7.1280 0.71599E-07 -7.1451 0.96150E+00 -0.0171 2 H2O 0.10000E+01 0.0000 0.10000E+01 0.0000 3 Cl- 0.13796E-03 -3.8602 0.13264E-03 -3.8773 0.96139E+00 -0.0171 4 SO4-- 0.25153E-04 -4.5994 0.22676E-04 -4.6444 0.90152E+00 -0.0450 5 HCO3- 0.11455E-04 -4.9410 0.11013E-04 -4.9581 0.96142E+00 -0.0171 6 HS- 0.18980E-06 -6.7217 0.18247E-06 -6.7388 0.96139E+00 -0.0171 7 Al+++ 0.35690E-18 -18.4475 0.28895E-18 -18.5392 0.80961E+00 -0.0917 8 H4SiO4 0.40041E-04 -4.3975 0.40041E-04 -4.3975 0.10000E+01 0.0000 9 Ca++ 0.18808E-04 -4.7257 0.16953E-04 -4.7707 0.90139E+00 -0.0451 10 Mg++ 0.30780E-05 -5.5117 0.27742E-05 -5.5569 0.90132E+00 -0.0451 11 Fe++ 0.48425E-07 -7.3149 0.43648E-07 -7.3600 0.90133E+00 -0.0451 12 K+ 0.82773E-06 -6.0821 0.79580E-06 -6.0992 0.96142E+00 -0.0171 13 Na+ 0.16496E-03 -3.7826 0.15859E-03 -3.7997 0.96139E+00 -0.0171 14 Mn++ 0.64582E-07 -7.1899 0.58211E-07 -7.2350 0.90135E+00 -0.0451 15 HPO4-- 0.10600E-07 -7.9747 0.95565E-08 -8.0197 0.90152E+00 -0.0450 16 HSiO3- 0.56754E-06 -6.2460 0.54562E-06 -6.2631 0.96139E+00 -0.0171 17 Ca(HSiO3)+ 0.21557E-09 -9.6664 0.20725E-09 -9.6835 0.96143E+00 -0.0171 18 Mg(HSiO3)+ 0.43900E-10 -10.3575 0.42207E-10 -10.3746 0.96143E+00 -0.0171 19 NaHSiO3,aq 0.13743E-08 -8.8619 0.13743E-08 -8.8619 0.10000E+01 0.0000 20 AlO+ 0.75682E-11 -11.1210 0.72763E-11 -11.1381 0.96143E+00 -0.0171 21 AlOH+2 0.28954E-14 -14.5383 0.26098E-14 -14.5834 0.90136E+00 -0.0451 22 HAlO2,aq 0.20336E-07 -7.6917 0.20336E-07 -7.6917 0.10000E+01 0.0000 23 AlO2- 0.65969E-06 -6.1807 0.63420E-06 -6.1978 0.96136E+00 -0.0171 24 CH4,aq 0.86969E-13 -13.0606 0.86962E-13 -13.0607 0.99992E+00 0.0000 29 CO,aq 0.28234E-15 -15.5492 0.28234E-15 -15.5492 0.10000E+01 0.0000 30 CO2,aq 0.15900E-05 -5.7986 0.15899E-05 -5.7986 0.99992E+00 0.0000 31 CO3-2 0.15776E-07 -7.8020 0.14222E-07 -7.8470 0.90148E+00 -0.0450 32 CaCO3,aq 0.29530E-08 -8.5297 0.29530E-08 -8.5297 0.10000E+01 0.0000 33 Ca(HCO3)+ 0.48934E-08 -8.3104 0.47046E-08 -8.3275 0.96143E+00 -0.0171 34 CaCl+ 0.37269E-08 -8.4287 0.35831E-08 -8.4457 0.96143E+00 -0.0171 35 CaCl2,aq 0.11066E-12 -12.9560 0.11066E-12 -12.9560 0.10000E+01 0.0000 36 CaOH+ 0.17366E-07 -7.7603 0.16696E-07 -7.7774 0.96143E+00 -0.0171 37 CaSO4,aq 0.11978E-06 -6.9216 0.11978E-06 -6.9216 0.10000E+01 0.0000 38 HCl,aq 0.17863E-11 -11.7480 0.17863E-11 -11.7480 0.10000E+01 0.0000 43 FeCl+ 0.93786E-11 -11.0279 0.90168E-11 -11.0449 0.96143E+00 -0.0171 44 FeCl2,aq 0.37092E-19 -19.4307 0.37092E-19 -19.4307 0.10000E+01 0.0000 46 FeO,aq 0.33668E-09 -9.4728 0.33668E-09 -9.4728 0.10000E+01 0.0000 47 FeOH+ 0.21021E-07 -7.6773 0.20210E-07 -7.6944 0.96143E+00 -0.0171 48 HFeO2- 0.52610E-10 -10.2789 0.50578E-10 -10.2960 0.96139E+00 -0.0171 49 FeO+ 0.61604E-12 -12.2104 0.59228E-12 -12.2275 0.96143E+00 -0.0171 50 FeOH+2 0.87546E-17 -17.0578 0.78911E-17 -17.1029 0.90136E+00 -0.0451 51 FeO2- 0.23619E-10 -10.6267 0.22707E-10 -10.6438 0.96139E+00 -0.0171 52 HFeO2,aq 0.20347E-09 -9.6915 0.20347E-09 -9.6915 0.10000E+01 0.0000 53 H2,aq 0.68957E-08 -8.1614 0.68951E-08 -8.1615 0.99992E+00 0.0000 54 KCl,aq 0.18690E-11 -11.7284 0.18690E-11 -11.7284 0.10000E+01 0.0000 55 KHSO4,aq 0.34575E-17 -17.4612 0.34575E-17 -17.4612 0.10000E+01 0.0000 56 KOH,aq 0.48454E-11 -11.3147 0.48454E-11 -11.3147 0.10000E+01 0.0000 57 KSO4- 0.28919E-09 -9.5388 0.27802E-09 -9.5559 0.96139E+00 -0.0171 58 MgCO3,aq 0.12075E-09 -9.9181 0.12075E-09 -9.9181 0.10000E+01 0.0000 59 Mg(HCO3)+ 0.81655E-09 -9.0880 0.78505E-09 -9.1051 0.96143E+00 -0.0171 60 MgCl+ 0.55365E-09 -9.2568 0.53230E-09 -9.2738 0.96143E+00 -0.0171 61 MgOH+ 0.15743E-07 -7.8029 0.15136E-07 -7.8200 0.96143E+00 -0.0171 63 MnO,aq 0.11987E-10 -10.9213 0.11987E-10 -10.9213 0.10000E+01 0.0000 64 MnOH+ 0.26043E-08 -8.5843 0.25038E-08 -8.6014 0.96143E+00 -0.0171 65 MnO2-2 0.89700E-19 -19.0472 0.80863E-19 -19.0923 0.90148E+00 -0.0450 66 HMnO2- 0.13048E-14 -14.8845 0.12544E-14 -14.9016 0.96139E+00 -0.0171 69 MnCl+ 0.48603E-10 -10.3133 0.46728E-10 -10.3304 0.96143E+00 -0.0171 70 MnSO4,aq 0.37409E-09 -9.4270 0.37409E-09 -9.4270 0.10000E+01 0.0000 71 NaCl,aq 0.68683E-08 -8.1631 0.68683E-08 -8.1631 0.10000E+01 0.0000 72 NaOH,aq 0.97326E-09 -9.0118 0.97326E-09 -9.0118 0.10000E+01 0.0000 74 OH- 0.87144E-05 -5.0598 0.83776E-05 -5.0769 0.96136E+00 -0.0171 79 HPO3-2 0.23087E-18 -18.6366 0.20813E-18 -18.6817 0.90148E+00 -0.0450 81 H2PO3- 0.30448E-19 -19.5164 0.29272E-19 -19.5335 0.96139E+00 -0.0171 82 H3PO4,aq 0.31540E-12 -12.5011 0.31540E-12 -12.5011 0.10000E+01 0.0000 83 H2PO4- 0.12478E-07 -7.9039 0.11996E-07 -7.9210 0.96141E+00 -0.0171 84 PO4-3 0.14384E-12 -12.8421 0.11656E-12 -12.9334 0.81037E+00 -0.0913 87 H2P2O7-2 0.12494E-16 -16.9033 0.11263E-16 -16.9484 0.90148E+00 -0.0450 88 HP2O7-3 0.39841E-16 -16.3997 0.32256E-16 -16.4914 0.80961E+00 -0.0917 89 P2O7-4 0.15947E-18 -18.7973 0.11114E-18 -18.9541 0.69692E+00 -0.1568 90 H2S,aq 0.39257E-07 -7.4061 0.39254E-07 -7.4061 0.99992E+00 0.0000 91 S2-2 0.11781E-15 -15.9288 0.10620E-15 -15.9739 0.90148E+00 -0.0450 96 SO2,aq 0.33583E-17 -17.4739 0.33583E-17 -17.4739 0.10000E+01 0.0000 97 SO3-2 0.23642E-13 -13.6263 0.21319E-13 -13.6712 0.90173E+00 -0.0449 98 HSO3- 0.92917E-13 -13.0319 0.89329E-13 -13.0490 0.96139E+00 -0.0171 99 HSO4- 0.15669E-08 -8.8050 0.15065E-08 -8.8220 0.96144E+00 -0.0171 101 S2O3-2 0.11637E-13 -13.9341 0.10491E-13 -13.9792 0.90148E+00 -0.0450 102 HS2O3- 0.13944E-18 -18.8556 0.13406E-18 -18.8727 0.96139E+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+ 0.7446634E-07 -.1034516E-04 -.1042715E-01 0.0000 2 H2O 0.1000000E+01 0.5550826E+02 0.9999833E+06 0.0000 3 Cl- 0.1379632E-03 0.1379744E-03 0.4891534E+01 3.2678 4 SO4-- 0.2515344E-04 0.2527376E-04 0.2427802E+01 9.6458 5 HCO3- 0.1145544E-04 0.1307002E-04 0.7974843E+00 2.1870 6 HS- 0.1897980E-06 0.2307507E-06 0.7631274E-02 0.4063 7 Al+++ 0.3568953E-18 0.6800354E-06 0.1834811E-01 2.8961 8 H4SiO4 0.4004074E-04 0.4060991E-04 0.3903181E+01 -4.3975 9 Ca++ 0.1880771E-04 0.1895664E-04 0.7597333E+00 9.5194 10 Mg++ 0.3077965E-05 0.3095243E-05 0.7525044E-01 8.7333 11 Fe++ 0.4842547E-07 0.7007269E-07 0.3913292E-02 6.9301 12 K+ 0.8277308E-06 0.8280267E-06 0.3237703E-01 1.0459 13 Na+ 0.1649575E-03 0.1649667E-03 0.3792496E+01 3.3454 14 Mn++ 0.6458164E-07 0.6762063E-07 0.3714888E-02 7.0552 15 HPO4-- 0.1060045E-07 0.2307858E-07 0.2215027E-02 6.2705 Component Tot moles Aq. moles Solid moles Gas moles 1 H+ -.5153821E-04 -.1034515E-04 -.4119306E-04 0.0000000E+00 2 H2O 0.5550820E+02 0.5550817E+02 0.2678438E-04 0.0000000E+00 3 Cl- 0.1379742E-03 0.1379742E-03 0.0000000E+00 0.0000000E+00 4 SO4-- 0.2561255E-04 0.2527372E-04 0.3388326E-06 0.0000000E+00 5 HCO3- 0.1307000E-04 0.1307000E-04 0.0000000E+00 0.0000000E+00 6 HS- -.1080823E-06 0.2307503E-06 -.3388326E-06 0.0000000E+00 7 Al+++ 0.1271689E-04 0.6800344E-06 0.1203686E-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 0.7007258E-07 0.2710661E-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: 0.1694E-20 Mass of aqueous solution: 0.100001E+04 g Temperature = 100.00 C Pressure = 100.00 bar Mixer frac. = 0.0039000 Log Log Vol Gas or mineral Moles Moles Grams Grams Wt.% (cm3) diaspore 0.1204E-04 -4.919 0.7221E-03 -3.141 76.94 0.2150E-03 hematite 0.1355E-05 -5.868 0.2164E-03 -3.665 23.06 0.4102E-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 = 0.000939 g Volume = 0.000256 cm3 Porosity: 99.9744% 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: 1.0521 bar Gas Mole fraction phi Fugacity Partial P(bar) H2O,gas 0.9998E+00 0.9855 0.1037E+01 0.1052E+01 CO2,gas 0.1717E-03 1.0073 0.1820E-03 0.1807E-03 CH4,gas 0.1290E-09 1.0129 0.1375E-09 0.1358E-09 H2,gas 0.8984E-05 1.0006 0.9457E-05 0.9452E-05 H2S,gas 0.1093E-05 0.9959 0.1145E-05 0.1150E-05 S2,gas 0.5217E-21 1.0000 0.5489E-21 0.5489E-21 CO,gas 0.4237E-12 1.0000 0.4458E-12 0.4458E-12 SO3,gas 0.4131E-34 1.0000 0.4346E-34 0.4346E-34 SO2,gas 0.1478E-16 1.0000 0.1555E-16 0.1555E-16 HCl,gas 0.2998E-14 1.0000 0.3154E-14 0.3154E-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 2.90 2.90 0.00 0.000 0.37914E-11 90 hematite 12.60 12.60 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 1.98 0.00 -1.98 -1.984 0.33882E+04 0.016 2 CO2,gas -6.36 -12.10 -5.74 -1.913 0.98008E+04 -3.740 3 CH4,gas 4.81 -7.05 -11.86 -2.965 0.20253E+05 -9.862 4 H2,gas 8.29 1.26 -7.02 -4.014 0.11994E+05 -5.024 5 H2S,gas -5.94 -13.88 -7.94 -3.971 0.13559E+05 -5.941 6 S2,gas -7.03 -30.29 -23.26 -3.579 0.39717E+05 -21.261 7 CO,gas 3.51 -10.84 -14.35 -4.416 0.24504E+05 -12.351 8 SO3,gas 17.43 -18.93 -36.36 -9.090 0.62087E+05 -34.362 9 SO2,gas 1.14 -17.67 -18.81 -5.016 0.32115E+05 -16.808 10 HCl,gas 5.48 -11.02 -16.50 -8.251 0.28175E+05 -14.501 21 andalusite 5.06 1.39 -3.67 -0.367 0.62625E+04 24 anhydrite -5.28 -9.42 -4.14 -2.068 0.70611E+04 32 apatite-OH -17.99 -19.33 -1.34 -0.103 0.22944E+04 35 aragonite 0.99 -2.58 -3.57 -1.190 0.60956E+04 36 brucite 12.58 8.73 -3.84 -0.769 0.65623E+04 37 calcite 0.83 -2.58 -3.42 -1.139 0.58343E+04 40 carpholite-Mg 8.65 5.73 -2.92 -0.195 0.49856E+04 41 carpholite-Fe 6.78 3.93 -2.86 -0.190 0.48758E+04 46 clinochlore 39.19 36.27 -2.93 -0.091 0.49974E+04 47 daphnite 29.09 27.25 -1.84 -0.058 0.31483E+04 50 chloritoid-Mg 13.26 10.13 -3.13 -0.209 0.53499E+04 51 chloritoid-Fe 9.24 8.32 -0.91 -0.061 0.15604E+04 52 chloritoid-Mn 11.46 8.45 -3.01 -0.201 0.51452E+04 54 coesite -2.37 -4.40 -2.03 -0.676 0.34630E+04 59 corundum 8.43 5.79 -2.64 -0.240 0.45099E+04 61 cristobalite -2.55 -4.40 -1.85 -0.616 0.31559E+04 78 fayalite 14.08 9.46 -4.62 -0.659 0.78820E+04 83 gibbsite 4.10 2.90 -1.20 -0.172 0.20512E+04 87 greenalite 16.19 12.00 -4.20 -0.350 0.71693E+04 92 hercynite 17.34 12.72 -4.62 -0.308 0.78923E+04 98 kaolinite -1.27 -3.00 -1.73 -0.157 0.29534E+04 99 kyanite 4.93 1.39 -3.54 -0.354 0.60393E+04 102 lawsonite 9.68 6.52 -3.16 -0.211 0.53986E+04 106 magnesite 0.71 -3.37 -4.08 -1.360 0.69650E+04 107 magnetite 20.13 19.53 -0.61 -0.049 0.10331E+04 110 magnesioferrite 26.26 21.33 -4.93 -0.402 0.84116E+04 128 periclase-Fe 11.64 6.93 -4.71 -1.177 0.80405E+04 142 pyrite -21.23 -22.10 -0.87 -0.206 0.14940E+04 143 pyrrhotite -4.24 -6.95 -2.71 -0.903 0.46276E+04 144 pyrrhotiteFe0.875 -6.00 -7.98 -1.98 -0.727 0.33733E+04 145 pyroxmangite 7.42 2.66 -4.76 -0.952 0.81247E+04 147 quartz -2.98 -4.40 -1.42 -0.472 0.24169E+04 152 rhodochrosite -0.96 -5.05 -4.09 -1.363 0.69826E+04 153 rhodonite 7.46 2.66 -4.80 -0.961 0.82040E+04 156 siderite -2.59 -5.17 -2.59 -0.862 0.44144E+04 157 sillimanite 5.32 1.39 -3.93 -0.393 0.67047E+04 178 topaz-H 4.67 1.39 -3.27 -0.298 0.55884E+04 179 tridymite -2.61 -4.40 -1.78 -0.594 0.30442E+04 182 troilite-low -4.39 -6.95 -2.56 -0.853 0.43708E+04 193 akaganeite 7.77 6.30 -1.47 -0.318 0.25082E+04 200 chalcedony -2.79 -4.40 -1.60 -0.534 0.27372E+04 206 nontronite-Ca 3.28 -1.01 -4.29 -0.279 0.73326E+04 209 nontronite-Mg 3.14 -1.14 -4.28 -0.278 0.73144E+04 215 gypsum -4.92 -9.42 -4.49 -1.123 0.76679E+04 234 boehmite 4.43 2.90 -1.53 -0.256 0.26184E+04 236 ferrous-oxide 9.82 6.93 -2.89 -0.724 0.49416E+04 241 silica-amorphous -2.08 -4.40 -2.32 -0.773 0.39574E+04 Calculations done for 100.0000 Deg. C; 100.0000 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 = 100.00 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 = .2571513E-03 Osmotic coef. = 0.9903 True ionic strength = .2578094E-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+ 0.71223E-07 -7.1474 0.68479E-07 -7.1644 0.96147E+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 0.96136E+00 -0.0171 4 SO4-- 0.25146E-04 -4.5995 0.22667E-04 -4.6446 0.90141E+00 -0.0451 5 HCO3- 0.11516E-04 -4.9387 0.11071E-04 -4.9558 0.96139E+00 -0.0171 6 HS- 0.19678E-06 -6.7060 0.18918E-06 -6.7231 0.96137E+00 -0.0171 7 Al+++ 0.31232E-18 -18.5054 0.25279E-18 -18.5972 0.80940E+00 -0.0918 8 H4SiO4 0.41041E-04 -4.3868 0.41041E-04 -4.3868 0.10000E+01 0.0000 9 Ca++ 0.18921E-04 -4.7231 0.17053E-04 -4.7682 0.90129E+00 -0.0451 10 Mg++ 0.31561E-05 -5.5008 0.28444E-05 -5.5460 0.90121E+00 -0.0452 11 Fe++ 0.44753E-07 -7.3492 0.40333E-07 -7.3943 0.90123E+00 -0.0452 12 K+ 0.84895E-06 -6.0711 0.81618E-06 -6.0882 0.96139E+00 -0.0171 13 Na+ 0.16508E-03 -3.7823 0.15870E-03 -3.7994 0.96136E+00 -0.0171 14 Mn++ 0.66121E-07 -7.1797 0.59591E-07 -7.2248 0.90124E+00 -0.0452 15 HPO4-- 0.11135E-07 -7.9533 0.10037E-07 -7.9984 0.90142E+00 -0.0451 16 HSiO3- 0.60824E-06 -6.2159 0.58474E-06 -6.2330 0.96136E+00 -0.0171 17 Ca(HSiO3)+ 0.23239E-09 -9.6338 0.22342E-09 -9.6509 0.96140E+00 -0.0171 18 Mg(HSiO3)+ 0.48238E-10 -10.3166 0.46376E-10 -10.3337 0.96140E+00 -0.0171 19 NaHSiO3,aq 0.14739E-08 -8.8315 0.14739E-08 -8.8315 0.10000E+01 0.0000 20 AlO+ 0.72386E-11 -11.1403 0.69592E-11 -11.1574 0.96140E+00 -0.0171 21 AlOH+2 0.26488E-14 -14.5769 0.23873E-14 -14.6221 0.90126E+00 -0.0451 22 HAlO2,aq 0.20336E-07 -7.6917 0.20336E-07 -7.6917 0.10000E+01 0.0000 23 AlO2- 0.68977E-06 -6.1613 0.66310E-06 -6.1784 0.96133E+00 -0.0171 24 CH4,aq 0.90675E-13 -13.0425 0.90667E-13 -13.0425 0.99992E+00 0.0000 29 CO,aq 0.27701E-15 -15.5575 0.27701E-15 -15.5575 0.10000E+01 0.0000 30 CO2,aq 0.15287E-05 -5.8157 0.15286E-05 -5.8157 0.99992E+00 0.0000 31 CO3-2 0.16584E-07 -7.7803 0.14948E-07 -7.8254 0.90138E+00 -0.0451 32 CaCO3,aq 0.31221E-08 -8.5056 0.31221E-08 -8.5056 0.10000E+01 0.0000 33 Ca(HCO3)+ 0.49482E-08 -8.3056 0.47571E-08 -8.3227 0.96140E+00 -0.0171 34 CaCl+ 0.37489E-08 -8.4261 0.36042E-08 -8.4432 0.96140E+00 -0.0171 35 CaCl2,aq 0.11130E-12 -12.9535 0.11130E-12 -12.9535 0.10000E+01 0.0000 36 CaOH+ 0.18265E-07 -7.7384 0.17560E-07 -7.7555 0.96140E+00 -0.0171 37 CaSO4,aq 0.12044E-06 -6.9192 0.12044E-06 -6.9192 0.10000E+01 0.0000 38 HCl,aq 0.17084E-11 -11.7674 0.17084E-11 -11.7674 0.10000E+01 0.0000 43 FeCl+ 0.86664E-11 -11.0622 0.83318E-11 -11.0793 0.96140E+00 -0.0171 44 FeCl2,aq 0.34273E-19 -19.4650 0.34273E-19 -19.4650 0.10000E+01 0.0000 46 FeO,aq 0.34011E-09 -9.4684 0.34011E-09 -9.4684 0.10000E+01 0.0000 47 FeOH+ 0.20310E-07 -7.6923 0.19526E-07 -7.7094 0.96140E+00 -0.0171 48 HFeO2- 0.55569E-10 -10.2552 0.53421E-10 -10.2723 0.96136E+00 -0.0171 49 FeO+ 0.58921E-12 -12.2297 0.56647E-12 -12.2468 0.96140E+00 -0.0171 50 FeOH+2 0.80091E-17 -17.0964 0.72183E-17 -17.1416 0.90126E+00 -0.0451 51 FeO2- 0.24696E-10 -10.6074 0.23742E-10 -10.6245 0.96136E+00 -0.0171 52 HFeO2,aq 0.20347E-09 -9.6915 0.20347E-09 -9.6915 0.10000E+01 0.0000 53 H2,aq 0.70368E-08 -8.1526 0.70363E-08 -8.1527 0.99992E+00 0.0000 54 KCl,aq 0.19168E-11 -11.7174 0.19168E-11 -11.7174 0.10000E+01 0.0000 55 KHSO4,aq 0.33902E-17 -17.4698 0.33902E-17 -17.4698 0.10000E+01 0.0000 56 KOH,aq 0.51959E-11 -11.2843 0.51959E-11 -11.2843 0.10000E+01 0.0000 57 KSO4- 0.29648E-09 -9.5280 0.28503E-09 -9.5451 0.96136E+00 -0.0171 58 MgCO3,aq 0.13012E-09 -9.8857 0.13012E-09 -9.8857 0.10000E+01 0.0000 59 Mg(HCO3)+ 0.84160E-09 -9.0749 0.80911E-09 -9.0920 0.96140E+00 -0.0171 60 MgCl+ 0.56765E-09 -9.2459 0.54574E-09 -9.2630 0.96140E+00 -0.0171 61 MgOH+ 0.16877E-07 -7.7727 0.16226E-07 -7.7898 0.96140E+00 -0.0171 63 MnO,aq 0.13415E-10 -10.8724 0.13415E-10 -10.8724 0.10000E+01 0.0000 64 MnOH+ 0.27876E-08 -8.5548 0.26800E-08 -8.5719 0.96140E+00 -0.0171 65 MnO2-2 0.10975E-18 -18.9596 0.98930E-19 -19.0047 0.90138E+00 -0.0451 66 HMnO2- 0.15268E-14 -14.8162 0.14678E-14 -14.8333 0.96136E+00 -0.0171 69 MnCl+ 0.49756E-10 -10.3032 0.47835E-10 -10.3203 0.96140E+00 -0.0171 70 MnSO4,aq 0.38281E-09 -9.4170 0.38281E-09 -9.4170 0.10000E+01 0.0000 71 NaCl,aq 0.68731E-08 -8.1628 0.68731E-08 -8.1628 0.10000E+01 0.0000 72 NaOH,aq 0.10183E-08 -8.9921 0.10183E-08 -8.9921 0.10000E+01 0.0000 74 OH- 0.91117E-05 -5.0404 0.87594E-05 -5.0575 0.96133E+00 -0.0171 79 HPO3-2 0.24748E-18 -18.6065 0.22307E-18 -18.6515 0.90138E+00 -0.0451 81 H2PO3- 0.31213E-19 -19.5057 0.30007E-19 -19.5228 0.96136E+00 -0.0171 82 H3PO4,aq 0.30303E-12 -12.5185 0.30303E-12 -12.5185 0.10000E+01 0.0000 83 H2PO4- 0.12535E-07 -7.9019 0.12051E-07 -7.9190 0.96138E+00 -0.0171 84 PO4-3 0.15800E-12 -12.8013 0.12801E-12 -12.8928 0.81016E+00 -0.0914 87 H2P2O7-2 0.12609E-16 -16.8993 0.11366E-16 -16.9444 0.90138E+00 -0.0451 88 HP2O7-3 0.42047E-16 -16.3763 0.34033E-16 -16.4681 0.80940E+00 -0.0918 89 P2O7-4 0.17600E-18 -18.7545 0.12260E-18 -18.9115 0.69660E+00 -0.1570 90 H2S,aq 0.38927E-07 -7.4098 0.38924E-07 -7.4098 0.99992E+00 0.0000 91 S2-2 0.12411E-15 -15.9062 0.11187E-15 -15.9513 0.90138E+00 -0.0451 96 SO2,aq 0.31336E-17 -17.5040 0.31336E-17 -17.5040 0.10000E+01 0.0000 97 SO3-2 0.24119E-13 -13.6176 0.21747E-13 -13.6626 0.90163E+00 -0.0450 98 HSO3- 0.90653E-13 -13.0426 0.87150E-13 -13.0597 0.96136E+00 -0.0171 99 HSO4- 0.14981E-08 -8.8245 0.14403E-08 -8.8416 0.96141E+00 -0.0171 101 S2O3-2 0.11536E-13 -13.9379 0.10398E-13 -13.9830 0.90138E+00 -0.0451 102 HS2O3- 0.13219E-18 -18.8788 0.12708E-18 -18.8959 0.96136E+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+ 0.7122329E-07 -.1097113E-04 -.1105808E-01 0.0000 2 H2O 0.1000000E+01 0.5550826E+02 0.9999832E+06 0.0000 3 Cl- 0.1379631E-03 0.1379744E-03 0.4891534E+01 3.2871 4 SO4-- 0.2514618E-04 0.2526707E-04 0.2427159E+01 9.6843 5 HCO3- 0.1151571E-04 0.1307002E-04 0.7974843E+00 2.2086 6 HS- 0.1967815E-06 0.2374390E-06 0.7852466E-02 0.4413 7 Al+++ 0.3123218E-18 0.7101129E-06 0.1915963E-01 2.8961 8 H4SiO4 0.4104120E-04 0.4165120E-04 0.4003262E+01 -4.3868 9 Ca++ 0.1892090E-04 0.1907166E-04 0.7643427E+00 9.5607 10 Mg++ 0.3156143E-05 0.3174608E-05 0.7717993E-01 8.7829 11 Fe++ 0.4475319E-07 0.6569643E-07 0.3668895E-02 6.9345 12 K+ 0.8489546E-06 0.8492582E-06 0.3320721E-01 1.0762 13 Na+ 0.1650829E-03 0.1650922E-03 0.3795381E+01 3.3650 14 Mn++ 0.6612089E-07 0.6935449E-07 0.3810141E-02 7.1041 15 HPO4-- 0.1113511E-07 0.2367034E-07 0.2271822E-02 6.3305 Component Tot moles Aq. moles Solid moles Gas moles 1 H+ -.5319406E-04 -.1097111E-04 -.4222295E-04 0.0000000E+00 2 H2O 0.5550820E+02 0.5550817E+02 0.2745205E-04 0.0000000E+00 3 Cl- 0.1379742E-03 0.1379742E-03 0.0000000E+00 0.0000000E+00 4 SO4-- 0.2561532E-04 0.2526703E-04 0.3482923E-06 0.0000000E+00 5 HCO3- 0.1307000E-04 0.1307000E-04 0.0000000E+00 0.0000000E+00 6 HS- -.1108536E-06 0.2374386E-06 -.3482923E-06 0.0000000E+00 7 Al+++ 0.1304297E-04 0.7101118E-06 0.1233285E-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 0.6569633E-07 0.2786338E-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: -.3388E-20 Mass of aqueous solution: 0.100001E+04 g Temperature = 100.00 C Pressure = 100.00 bar Mixer frac. = 0.0040000 Log Log Vol Gas or mineral Moles Moles Grams Grams Wt.% (cm3) diaspore 0.1233E-04 -4.909 0.7398E-03 -3.131 76.88 0.2203E-03 hematite 0.1393E-05 -5.856 0.2225E-03 -3.653 23.12 0.4217E-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: 1.0521 bar Gas Mole fraction phi Fugacity Partial P(bar) H2O,gas 0.9998E+00 0.9855 0.1037E+01 0.1052E+01 CO2,gas 0.1651E-03 1.0073 0.1750E-03 0.1737E-03 CH4,gas 0.1345E-09 1.0129 0.1434E-09 0.1416E-09 H2,gas 0.9168E-05 1.0006 0.9651E-05 0.9645E-05 H2S,gas 0.1083E-05 0.9959 0.1135E-05 0.1140E-05 S2,gas 0.4926E-21 1.0000 0.5183E-21 0.5183E-21 CO,gas 0.4157E-12 1.0000 0.4374E-12 0.4374E-12 SO3,gas 0.3777E-34 1.0000 0.3974E-34 0.3974E-34 SO2,gas 0.1379E-16 1.0000 0.1451E-16 0.1451E-16 HCl,gas 0.2867E-14 1.0000 0.3017E-14 0.3017E-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 2.90 2.90 0.00 0.000 -0.22748E-11 90 hematite 12.60 12.60 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 1.98 0.00 -1.98 -1.984 0.33882E+04 0.016 2 CO2,gas -6.36 -12.12 -5.76 -1.919 0.98300E+04 -3.757 3 CH4,gas 4.81 -7.03 -11.84 -2.961 0.20222E+05 -9.844 4 H2,gas 8.29 1.27 -7.02 -4.009 0.11979E+05 -5.015 5 H2S,gas -5.94 -13.89 -7.94 -3.972 0.13566E+05 -5.945 6 S2,gas -7.03 -30.32 -23.29 -3.582 0.39759E+05 -21.285 7 CO,gas 3.51 -10.85 -14.36 -4.418 0.24518E+05 -12.359 8 SO3,gas 17.43 -18.97 -36.40 -9.100 0.62153E+05 -34.401 9 SO2,gas 1.14 -17.70 -18.84 -5.024 0.32166E+05 -16.838 10 HCl,gas 5.48 -11.04 -16.52 -8.260 0.28208E+05 -14.520 21 andalusite 5.06 1.41 -3.66 -0.366 0.62442E+04 24 anhydrite -5.28 -9.41 -4.13 -2.067 0.70571E+04 32 apatite-OH -17.99 -19.18 -1.19 -0.092 0.20312E+04 35 aragonite 0.99 -2.56 -3.55 -1.182 0.60543E+04 36 brucite 12.58 8.78 -3.79 -0.759 0.64777E+04 37 calcite 0.83 -2.56 -3.39 -1.131 0.57930E+04 40 carpholite-Mg 8.65 5.80 -2.85 -0.190 0.48644E+04 41 carpholite-Fe 6.78 3.95 -2.83 -0.189 0.48317E+04 46 clinochlore 39.19 36.55 -2.65 -0.083 0.45195E+04 47 daphnite 29.09 27.30 -1.79 -0.056 0.30558E+04 50 chloritoid-Mg 13.26 10.19 -3.07 -0.205 0.52470E+04 51 chloritoid-Fe 9.24 8.34 -0.90 -0.060 0.15346E+04 52 chloritoid-Mn 11.46 8.51 -2.95 -0.197 0.50434E+04 54 coesite -2.37 -4.39 -2.02 -0.672 0.34447E+04 59 corundum 8.43 5.79 -2.64 -0.240 0.45099E+04 61 cristobalite -2.55 -4.39 -1.84 -0.613 0.31376E+04 78 fayalite 14.08 9.48 -4.60 -0.657 0.78487E+04 83 gibbsite 4.10 2.90 -1.20 -0.172 0.20512E+04 87 greenalite 16.19 12.03 -4.16 -0.347 0.71102E+04 92 hercynite 17.34 12.73 -4.62 -0.308 0.78848E+04 98 kaolinite -1.27 -2.98 -1.71 -0.155 0.29168E+04 99 kyanite 4.93 1.41 -3.53 -0.353 0.60210E+04 102 lawsonite 9.68 6.58 -3.10 -0.207 0.52916E+04 106 magnesite 0.71 -3.34 -4.05 -1.349 0.69096E+04 107 magnetite 20.13 19.53 -0.60 -0.049 0.10256E+04 110 magnesioferrite 26.26 21.38 -4.88 -0.398 0.83270E+04 128 periclase-Fe 11.64 6.93 -4.70 -1.176 0.80330E+04 142 pyrite -21.23 -22.11 -0.89 -0.209 0.15141E+04 143 pyrrhotite -4.24 -6.95 -2.71 -0.903 0.46263E+04 144 pyrrhotiteFe0.875 -6.00 -7.98 -1.98 -0.727 0.33748E+04 145 pyroxmangite 7.42 2.72 -4.70 -0.940 0.80230E+04 147 quartz -2.98 -4.39 -1.40 -0.468 0.23986E+04 152 rhodochrosite -0.96 -5.02 -4.06 -1.353 0.69283E+04 153 rhodonite 7.46 2.72 -4.75 -0.949 0.81022E+04 156 siderite -2.59 -5.19 -2.60 -0.866 0.44361E+04 157 sillimanite 5.32 1.41 -3.92 -0.392 0.66864E+04 178 topaz-H 4.67 1.41 -3.26 -0.297 0.55701E+04 179 tridymite -2.61 -4.39 -1.77 -0.591 0.30259E+04 182 troilite-low -4.39 -6.95 -2.56 -0.853 0.43695E+04 193 akaganeite 7.77 6.30 -1.47 -0.318 0.25082E+04 200 chalcedony -2.79 -4.39 -1.59 -0.531 0.27189E+04 206 nontronite-Ca 3.28 -0.97 -4.25 -0.276 0.72538E+04 209 nontronite-Mg 3.14 -1.10 -4.24 -0.275 0.72333E+04 215 gypsum -4.92 -9.41 -4.49 -1.122 0.76638E+04 234 boehmite 4.43 2.90 -1.53 -0.256 0.26184E+04 236 ferrous-oxide 9.82 6.93 -2.89 -0.722 0.49340E+04 241 silica-amorphous -2.08 -4.39 -2.31 -0.769 0.39391E+04 Calculations done for 100.0000 Deg. C; 100.0000 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.