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. amesite is suppressed in SOLTHERM data file. antigorite is suppressed in SOLTHERM data file. sapphirine-Fe(221) is suppressed in SOLTHERM data file. sapphirine(221) is suppressed in SOLTHERM data file. talc-prl is suppressed in SOLTHERM data file. PrO1.833(s) is suppressed in SOLTHERM data file. niter-NH4 is suppressed in SOLTHERM data file. FMQ_HS-1 is suppressed in THIS RUN. kf-ab-equil is suppressed in THIS RUN. ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ Test file for CHIM-XPT. Japanese Geothermal Water. Cooling only. See running notes, below. CHIMRUN demo-1 ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ Species No. Charge Tot.moles Trial molality Gamma Mixing solution H+ 1 1. 0.16323E+00 0.37465E-04 0.4737 0.00000000E+00 H2O 2 0. 0.55508E+02 0.10000E+01 0.9813 0.00000000E+00 Cl- 3 -1. 0.66329E+00 0.57216E+00 0.3776 0.00000000E+00 SO4-- 4 -2. -0.14733E-02 0.19411E-09 0.0293 0.00000000E+00 HCO3- 5 -1. 0.13932E+00 0.20758E-03 0.4044 0.00000000E+00 HS- 6 -1. 0.27416E-01 0.23443E-03 0.3805 0.00000000E+00 H4SiO4 7 0. 0.16191E-01 0.63776E-02 1.2135 0.00000000E+00 Ca++ 8 2. 0.29940E-01 0.62204E-02 0.0239 0.00000000E+00 Mg++ 9 2. 0.86751E-03 0.26005E-03 0.0186 0.00000000E+00 Fe++ 10 2. 0.26045E-04 0.14519E-08 0.0199 0.00000000E+00 K+ 11 1. 0.80210E-01 0.73112E-01 0.4141 0.00000000E+00 Na+ 12 1. 0.52197E+00 0.46727E+00 0.3824 0.00000000E+00 Zn++ 13 2. 0.50000E-05 0.81859E-10 0.0199 0.00000000E+00 Cu+ 14 1. 0.50000E-06 0.38674E-10 0.3814 0.00000000E+00 Pb++ 15 2. 0.20000E-05 0.21027E-08 0.0274 0.00000000E+00 Chg. balance for total moles = 0.1440E-04 Max. difference allowed = 0.6633E-04 The following parameters were given: ERPC = 0.1000E-11 pH = 0.0000 PFLUID = 500.0000 SLIM = 0.100000E+03 TEMP = 240.0000 SINC = -.5000E+01 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 = 1049.7467 SUPRNT = 0.1000E-19 VBOX-1 = 0.0000 RHOFRS = 0.0000 RHOROC = 0.0000 The following options were selected: CONFLG = 1 C = 3 IFRAC = 0 IPUNCH = 1 NLOOP = 470 ISTEP = 2 LIMSOL = 1 LOOC = 0 IENTH = 0 ITREF = 0 IDEAL = 0 IPSAT = 1 INCREM = 0 INCP = 0 MINSOL = 0 NEUT = 0 AWAT = 0 CHGF = 0 Of the derived species, only those with molality > 0.10E-19 will appear in the output Species No. Charge Log K(diss) Species No. Charge Log K(diss) HSiO3- 16 -1. 8.7956 KSO4- 65 -1. -2.1413 Ca(HSiO3)+ 17 1. 6.2781 MgCO3,aq 66 0. 5.7244 Mg(HSiO3)+ 18 1. 6.4216 Mg(HCO3)+ 67 1. -2.6640 NaHSiO3,aq 19 0. 7.8780 MgCl+ 68 1. -1.2400 CH4,aq 20 0. 5.9060 MgOH+ 69 1. 6.8390 C2H6,aq 21 0. 11.7152 NaCl,aq 70 0. -0.2211 C3H8,aq 22 0. 16.7903 NaOH,aq 71 0. 10.7669 C4H10,aq 23 0. 21.8892 O2,aq 72 0. 35.8228 ethanol,aq 24 0. 13.3809 OH- 73 -1. 10.9300 CO,aq 25 0. 1.0360 HO2- 74 -1. 38.2700 CO2,aq 26 0. -7.2611 H2O2,aq 75 0. 27.9379 CO3-2 27 -2. 10.4590 PbCl+ 76 1. -2.8612 CaCO3,aq 28 0. 4.7573 PbCl2,aq 77 0. -4.2982 Ca(HCO3)+ 29 1. -2.7032 PbCl3- 78 -1. -4.2798 CaCl+ 30 1. -1.5408 PbCl4-2 79 -2. -3.5808 CaCl2,aq 31 0. -1.1971 PbO,aq 80 0. 10.7473 CaOH+ 32 1. 7.3416 HPbO2- 81 -1. 20.1346 CaSO4,aq 33 0. -3.6316 Pb(HS)2,aq 82 0. -12.3117 HCl,aq 34 0. -0.1795 Pb(HS)3- 83 -1. -13.7144 HClO,aq 35 0. 21.2334 H2S,aq 84 0. -6.9068 ClO- 36 -1. 28.5193 S2-2 85 -2. 0.7882 HClO2,aq 37 0. 47.4530 S3-2 86 -2. -8.4710 Cu+2 38 2. 1.2428 S3- 87 -1. -17.7078 CuCl+ 39 1. -0.6152 S4-2 88 -2. -17.5939 CuCl2,aq 40 0. -0.6155 S5-2 89 -2. -26.5876 CuCl3- 41 -1. 0.9280 SO2,aq 90 0. -5.1649 CuCl4-2 42 -2. 4.2538 SO3-2 91 -2. 8.5254 CuCl,aq 43 0. -3.7508 HSO3- 92 -1. -0.6464 CuCl2- 44 -1. -4.9837 HSO4- 93 -1. -4.8601 CuCl3-2 45 -2. -3.4142 HSO5- 94 -1. 23.5078 CuO,aq 46 0. 10.7908 S2O3-2 95 -2. -5.0148 CuOH+ 47 1. 5.8608 HS2O3- 96 -1. -8.6858 CuO2-2 48 -2. 30.3742 H2S2O3,aq 97 0. -10.8771 HCuO2- 49 -1. 19.4700 S2O4-2 98 -2. 5.1508 Fe+3 50 3. 7.8949 HS2O4- 99 -1. 1.0322 FeCl+ 51 1. -1.3596 H2S2O4,aq 100 0. -1.0392 FeCl2,aq 52 0. -1.2039 S2O5-2 101 -2. 4.2942 FeCl+2 53 2. 4.8992 S2O6-2 102 -2. 4.7260 FeO,aq 54 0. 12.1489 S2O8-2 103 -2. 24.3884 FeOH+ 55 1. 5.4481 S3O6-2 104 -2. -2.4612 HFeO2- 56 -1. 19.3348 S4O6-2 105 -2. -21.4892 FeO+ 57 1. 8.4952 S5O6-2 106 -2. -18.6402 FeOH+2 58 2. 7.1314 ZnCl+ 107 1. -4.6178 FeO2- 59 -1. 18.1474 ZnCl2,aq 108 0. -4.7534 HFeO2,aq 60 0. 11.8073 ZnCl3- 109 -1. -3.8746 H2,aq 61 0. 7.0089 ZnO,aq 110 0. 10.1616 KCl,aq 62 0. 0.5727 ZnOH+ 111 1. 2.4470 KHSO4,aq 63 0. -3.9174 ZnO2-2 112 -2. 29.0098 KOH,aq 64 0. 10.5834 HZnO2- 113 -1. 18.6235 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 1.140 0.0000E+00 perovskite-Ca 66 17.077 0.0000E+00 CO2,gas 2 -6.835 0.0000E+00 perovskite-Fe 67 14.268 0.0000E+00 CH4,gas 3 5.636 0.0000E+00 perovskite-Mg 68 15.773 0.0000E+00 H2,gas 4 6.899 0.0000E+00 phase_A 69 52.606 0.0000E+00 H2S,gas 5 -5.888 0.0000E+00 pyrite 70 -19.035 0.0000E+00 S2,gas 6 -10.020 0.0000E+00 pyrrhotite 71 -5.441 0.0000E+00 CO,gas 7 0.954 0.0000E+00 pyrrhotiteFe0.875 72 -6.632 0.0000E+00 SO3,gas 8 7.648 0.0000E+00 quartz 73 -2.131 0.9812E-02 O2,gas 9 32.930 0.0000E+00 rankinite 74 28.583 0.0000E+00 SO2,gas 10 -3.686 0.0000E+00 riebeckite 75 11.937 0.0000E+00 HCl,gas 11 2.524 0.0000E+00 ringwoodite-Fe 76 9.024 0.0000E+00 acmite 12 5.419 0.0000E+00 ringwoodite-Mg 77 17.885 0.0000E+00 akermanite 13 24.449 0.0000E+00 siderite 78 -4.000 0.0000E+00 akimotoite 14 11.068 0.0000E+00 spurrite 79 40.600 0.0000E+00 akimotoite-Fe 15 8.393 0.0000E+00 stishovite 80 2.222 0.0000E+00 andradite 16 25.189 0.0000E+00 sulfur 81 -8.511 0.0000E+00 anhydrite 17 -7.661 0.0000E+00 sylvite 82 1.262 0.0000E+00 ankerite 18 -5.119 0.0000E+00 talc 83 9.661 0.0000E+00 anthophyllite 19 30.823 0.0000E+00 talc-Fe 84 7.178 0.0000E+00 anthophyllite-Fe 20 14.207 0.0000E+00 tenorite 85 4.389 0.0000E+00 aragonite 21 -0.697 0.0000E+00 tilleyite 86 26.275 0.0000E+00 brucite 22 8.600 0.0000E+00 titanite-CaSi 87 11.265 0.0000E+00 calcite 23 -0.836 0.0000E+00 tridymite 88 -1.909 0.0000E+00 chrysotile 24 15.485 0.0000E+00 tremolite 89 29.707 0.0000E+00 chondrodite 25 35.920 0.0000E+00 ferroactinolite 90 22.385 0.0000E+00 chlorite-Al-free 26 30.670 0.0000E+00 troilite-low 91 -5.472 0.0000E+00 clinohumite 27 61.080 0.0000E+00 wadeite-Si 92 17.562 0.0000E+00 coesite 28 -1.674 0.0000E+00 wadsleyite-Fe 93 9.084 0.0000E+00 corundum-MgSi 29 12.740 0.0000E+00 wadsleyite-Mg 94 16.559 0.0000E+00 cristobalite 30 -1.886 0.0000E+00 walstromite 95 8.039 0.0000E+00 cummingtonite 31 30.979 0.0000E+00 wollastonite 96 7.302 0.0000E+00 cuprite 32 0.996 0.0000E+00 pseudo-wollastonite 97 7.627 0.0000E+00 deerite 33 50.479 0.0000E+00 bornite 98 -67.771 0.0000E+00 diamond 34 -1.874 0.0000E+00 calcium 99 61.217 0.0000E+00 diopside 35 10.427 0.0000E+00 chalcedony 100 -1.996 0.0000E+00 hedenbergite 36 8.879 0.0000E+00 chalcocite 101 -20.298 0.0000E+00 dolomite,ordered 37 -3.061 0.0000E+00 covellite 102 -15.221 0.0000E+00 enstatite 38 10.368 0.0000E+00 sepiolite 103 17.606 0.0000E+00 clinoenstatite-HiP 39 11.163 0.0000E+00 alite 104 41.093 0.0000E+00 clinoenstatite 40 10.300 0.0000E+00 belite 105 21.385 0.0000E+00 protoenstatite 41 10.719 0.0000E+00 gypsum 106 -6.422 0.0000E+00 fayalite 42 7.838 0.0000E+00 jennite 107 19.064 0.0000E+00 ferrosilite 43 5.803 0.0000E+00 portlandite 108 13.462 0.0000E+00 forsterite 44 13.028 0.0000E+00 tobermorite 109 8.384 0.0000E+00 goethite 45 3.731 0.0000E+00 anglesite 110 -9.057 0.0000E+00 graphite 46 -2.247 0.0000E+00 artinite 111 10.292 0.0000E+00 greenalite 47 9.634 0.0000E+00 azurite 112 3.155 0.0000E+00 grunerite 48 15.451 0.0000E+00 cerussite 113 -3.052 0.0000E+00 halite 49 1.169 0.0000E+00 chalcopyrite 114 -23.865 0.0000E+00 hematite 50 6.655 0.0000E+00 copper,native 115 -1.041 0.0000E+00 iron 51 13.493 0.0000E+00 dolomite,disordered 116 -2.720 0.0000E+00 julgoldite 52 45.263 0.0000E+00 ferrous-oxide 117 5.821 0.0000E+00 larnite-bredigite 53 21.592 0.0000E+00 galena 118 -9.821 0.0000E+00 lime 54 18.600 0.0000E+00 huntite 119 -5.025 0.0000E+00 lizardite 55 15.196 0.0000E+00 litharge 120 7.820 0.0000E+00 magnesite 56 -1.558 0.0000E+00 hydromagnesite 121 7.240 0.0000E+00 magnetite 57 10.868 0.0000E+00 malachite 122 2.656 0.0000E+00 minnesotaite 58 4.940 0.0000E+00 nesquehonite 123 4.330 0.0000E+00 minnesotaite-Mg 59 12.610 0.0000E+00 potassium-oxide 124 52.828 0.0000E+00 magnesioferrite 60 15.344 0.0000E+00 silica-amorphous 125 -1.574 0.0000E+00 majorite 61 34.494 0.0000E+00 smithsonite 126 -2.462 0.0000E+00 merwinite 62 38.243 0.0000E+00 sodium-oxide 127 42.276 0.0000E+00 monticellite 63 16.249 0.0000E+00 sphalerite 128 -9.730 0.0000E+00 periclase 64 10.595 0.0000E+00 wurtzite 129 -8.400 0.0000E+00 periclase-Fe 65 7.193 0.0000E+00 zincite 130 4.914 0.0000E+00 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 andradite 8 diopside 5 hedenbergite 5 iron 9 magnetite 14 talc 7 talc-Fe 7 tremolite 2 ferroactinolite 2 ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ Test file for CHIM-XPT. Japanese Geothermal Water. Cooling only. See running notes, below. CHIMRUN demo-1 ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ Number of loops used = 13 Loop limit = 470 Temperature = 240.00 C Pressure = 500.00 bar Mixer fraction = 0.0000000 Water: Moles liquid = 0.5566E+02 kg liquid = 0.1003E+01 Moles total = 0.5551E+02 kg total = 0.1000E+01 Activity = 0.9801 Stoichiometric ionic strength = .7745854E+00 Osmotic coef. = 0.8450 True ionic strength = .5666901E+00 Chg. balance for total moles = 0.1440E-04 Max. difference allowed = 0.6633E-04 Log Log Log Species(n) Molality Molality Activity Activity Gamma Gamma 1 H+ 0.76734E-04 -4.1150 0.37421E-04 -4.4269 0.48768E+00 -0.3119 2 H2O 0.98014E+00 -0.0087 0.98014E+00 -0.0087 3 Cl- 0.54994E+00 -0.2597 0.26830E+00 -0.5714 0.48787E+00 -0.3117 4 SO4-- 0.23854E-09 -9.6224 0.12743E-10 -10.8947 0.53420E-01 -1.2723 5 HCO3- 0.35181E-03 -3.4537 0.17856E-03 -3.7482 0.50753E+00 -0.2945 6 HS- 0.15776E-03 -3.8020 0.77302E-04 -4.1118 0.49001E+00 -0.3098 7 H4SiO4 0.70974E-02 -2.1489 0.70974E-02 -2.1489 0.10000E+01 0.0000 8 Ca++ 0.15595E-01 -1.8070 0.73633E-03 -3.1329 0.47216E-01 -1.3259 9 Mg++ 0.62178E-03 -3.2064 0.26440E-04 -4.5777 0.42523E-01 -1.3714 10 Fe++ 0.16462E-04 -4.7835 0.71875E-06 -6.1434 0.43662E-01 -1.3599 11 K+ 0.77144E-01 -1.1127 0.39621E-01 -1.4021 0.51360E+00 -0.2894 12 Na+ 0.42709E+00 -0.3695 0.20930E+00 -0.6792 0.49005E+00 -0.3098 13 Zn++ 0.43677E-08 -8.3597 0.19070E-09 -9.7196 0.43662E-01 -1.3599 14 Cu+ 0.61006E-10 -10.2146 0.29853E-10 -10.5250 0.48936E+00 -0.3104 15 Pb++ 0.26026E-08 -8.5846 0.13066E-09 -9.8839 0.50201E-01 -1.2993 16 HSiO3- 0.63495E-06 -6.1973 0.30978E-06 -6.5090 0.48787E+00 -0.3117 17 Ca(HSiO3)+ 0.14553E-06 -6.8371 0.75100E-07 -7.1244 0.51605E+00 -0.2873 18 Mg(HSiO3)+ 0.37551E-08 -8.4254 0.19378E-08 -8.7127 0.51605E+00 -0.2873 19 NaHSiO3,aq 0.53640E-06 -6.2705 0.53640E-06 -6.2705 0.10000E+01 0.0000 20 CH4,aq 0.14523E-02 -2.8379 0.13184E-02 -2.8800 0.90775E+00 -0.0420 21 C2H6,aq 0.38470E-08 -8.4149 0.34921E-08 -8.4569 0.90775E+00 -0.0420 22 C3H8,aq 0.55235E-13 -13.2578 0.50140E-13 -13.2998 0.90775E+00 -0.0420 23 C4H10,aq 0.75091E-18 -18.1244 0.68164E-18 -18.1664 0.90775E+00 -0.0420 24 ethanol,aq 0.13090E-12 -12.8831 0.11883E-12 -12.9251 0.90775E+00 -0.0420 25 CO,aq 0.39816E-06 -6.3999 0.39816E-06 -6.3999 0.10000E+01 0.0000 26 CO2,aq 0.13700E+00 -0.8633 0.12436E+00 -0.9053 0.90775E+00 -0.0420 27 CO3-2 0.32358E-08 -8.4900 0.16583E-09 -9.7803 0.51248E-01 -1.2903 28 CaCO3,aq 0.61440E-07 -7.2116 0.61440E-07 -7.2116 0.10000E+01 0.0000 29 Ca(HCO3)+ 0.12864E-03 -3.8906 0.66388E-04 -4.1779 0.51605E+00 -0.2873 30 CaCl+ 0.13297E-01 -1.8762 0.68621E-02 -2.1635 0.51605E+00 -0.2873 31 CaCl2,aq 0.83444E-03 -3.0786 0.83444E-03 -3.0786 0.10000E+01 0.0000 32 CaOH+ 0.17018E-05 -5.7691 0.87822E-06 -6.0564 0.51605E+00 -0.2873 33 CaSO4,aq 0.40177E-10 -10.3960 0.40177E-10 -10.3960 0.10000E+01 0.0000 34 HCl,aq 0.15180E-04 -4.8187 0.15180E-04 -4.8187 0.10000E+01 0.0000 38 Cu+2 0.56272E-16 -16.2497 0.25610E-17 -17.5916 0.45510E-01 -1.3419 39 CuCl+ 0.96030E-16 -16.0176 0.49557E-16 -16.3049 0.51605E+00 -0.2873 40 CuCl2,aq 0.13303E-16 -16.8760 0.13303E-16 -16.8760 0.10000E+01 0.0000 41 CuCl3- 0.20931E-18 -18.6792 0.10212E-18 -18.9909 0.48787E+00 -0.3117 43 CuCl,aq 0.45121E-07 -7.3456 0.45121E-07 -7.3456 0.10000E+01 0.0000 44 CuCl2- 0.42424E-06 -6.3724 0.20697E-06 -6.6841 0.48787E+00 -0.3117 45 CuCl3-2 0.29197E-07 -7.5347 0.14963E-08 -8.8250 0.51248E-01 -1.2903 46 CuO,aq 0.50761E-18 -18.2945 0.50761E-18 -18.2945 0.10000E+01 0.0000 47 CuOH+ 0.31327E-17 -17.5041 0.16166E-17 -17.7914 0.51605E+00 -0.2873 50 Fe+3 0.11778E-16 -16.9289 0.13737E-19 -19.8621 0.11663E-02 -2.9332 51 FeCl+ 0.85535E-05 -5.0679 0.44141E-05 -5.3552 0.51605E+00 -0.2873 52 FeCl2,aq 0.82737E-06 -6.0823 0.82737E-06 -6.0823 0.10000E+01 0.0000 53 FeCl+2 0.80201E-16 -16.0958 0.36500E-17 -17.4377 0.45510E-01 -1.3419 54 FeO,aq 0.35703E-09 -9.4473 0.35703E-09 -9.4473 0.10000E+01 0.0000 55 FeOH+ 0.13000E-06 -6.8861 0.67085E-07 -7.1734 0.51605E+00 -0.2873 56 HFeO2- 0.12495E-11 -11.9033 0.60959E-12 -12.2150 0.48787E+00 -0.3117 57 FeO+ 0.46771E-11 -11.3300 0.24137E-11 -11.6173 0.51605E+00 -0.2873 58 FeOH+2 0.45870E-13 -13.3385 0.20875E-14 -14.6804 0.45510E-01 -1.3419 59 FeO2- 0.77122E-12 -12.1128 0.37626E-12 -12.4245 0.48787E+00 -0.3117 60 HFeO2,aq 0.30812E-10 -10.5113 0.30812E-10 -10.5113 0.10000E+01 0.0000 61 H2,aq 0.67127E-04 -4.1731 0.60934E-04 -4.2151 0.90775E+00 -0.0420 62 KCl,aq 0.28433E-02 -2.5462 0.28433E-02 -2.5462 0.10000E+01 0.0000 63 KHSO4,aq 0.15622E-12 -12.8063 0.15622E-12 -12.8063 0.10000E+01 0.0000 64 KOH,aq 0.27081E-07 -7.5673 0.27081E-07 -7.5673 0.10000E+01 0.0000 65 KSO4- 0.14327E-09 -9.8438 0.69898E-10 -10.1555 0.48787E+00 -0.3117 66 MgCO3,aq 0.23795E-09 -9.6235 0.23795E-09 -9.6235 0.10000E+01 0.0000 67 Mg(HCO3)+ 0.42199E-05 -5.3747 0.21777E-05 -5.6620 0.51605E+00 -0.2873 68 MgCl+ 0.23891E-03 -3.6218 0.12329E-03 -3.9091 0.51605E+00 -0.2873 69 MgOH+ 0.19440E-06 -6.7113 0.10032E-06 -6.9986 0.51605E+00 -0.2873 70 NaCl,aq 0.93434E-01 -1.0295 0.93434E-01 -1.0295 0.10000E+01 0.0000 71 NaOH,aq 0.93768E-07 -7.0279 0.93768E-07 -7.0279 0.10000E+01 0.0000 73 OH- 0.67523E-06 -6.1705 0.30773E-06 -6.5118 0.45574E+00 -0.3413 76 PbCl+ 0.49351E-07 -7.3067 0.25468E-07 -7.5940 0.51605E+00 -0.2873 77 PbCl2,aq 0.18687E-06 -6.7285 0.18687E-06 -6.7285 0.10000E+01 0.0000 78 PbCl3- 0.98502E-07 -7.0066 0.48057E-07 -7.3182 0.48787E+00 -0.3117 79 PbCl4-2 0.50320E-07 -7.2983 0.25788E-08 -8.5886 0.51248E-01 -1.2903 80 PbO,aq 0.16363E-11 -11.7861 0.16363E-11 -11.7861 0.10000E+01 0.0000 81 HPbO2- 0.36015E-16 -16.4435 0.17571E-16 -16.7552 0.48787E+00 -0.3117 82 Pb(HS)2,aq 0.16004E-05 -5.7958 0.16004E-05 -5.7958 0.10000E+01 0.0000 83 Pb(HS)3- 0.64085E-08 -8.1932 0.31265E-08 -8.5049 0.48787E+00 -0.3117 84 H2S,aq 0.25710E-01 -1.5899 0.23338E-01 -1.6319 0.90775E+00 -0.0420 85 S2-2 0.30530E-10 -10.5153 0.15646E-11 -11.8056 0.51248E-01 -1.2903 86 S3-2 0.25793E-12 -12.5885 0.13218E-13 -13.8788 0.51248E-01 -1.2903 87 S3- 0.70131E-10 -10.1541 0.34215E-10 -10.4658 0.48787E+00 -0.3117 88 S4-2 0.15923E-14 -14.7980 0.81602E-16 -16.0883 0.51248E-01 -1.2903 89 S5-2 0.72992E-17 -17.1367 0.37407E-18 -18.4270 0.51248E-01 -1.2903 90 SO2,aq 0.16887E-11 -11.7725 0.16887E-11 -11.7725 0.10000E+01 0.0000 91 SO3-2 0.36679E-15 -15.4356 0.24119E-16 -16.6176 0.65755E-01 -1.1821 92 HSO3- 0.27477E-11 -11.5610 0.13405E-11 -11.8727 0.48787E+00 -0.3117 93 HSO4- 0.65908E-10 -10.1811 0.34551E-10 -10.4615 0.52423E+00 -0.2805 95 S2O3-2 0.75936E-13 -13.1196 0.38915E-14 -14.4099 0.51248E-01 -1.2903 96 HS2O3- 0.13991E-14 -14.8541 0.68259E-15 -15.1658 0.48787E+00 -0.3117 97 H2S2O3,aq 0.39686E-17 -17.4014 0.39686E-17 -17.4014 0.10000E+01 0.0000 107 ZnCl+ 0.41126E-05 -5.3859 0.21223E-05 -5.6732 0.51605E+00 -0.2873 108 ZnCl2,aq 0.77803E-06 -6.1090 0.77803E-06 -6.1090 0.10000E+01 0.0000 109 ZnCl3- 0.56565E-07 -7.2475 0.27597E-07 -7.5591 0.48787E+00 -0.3117 110 ZnO,aq 0.91995E-11 -11.0362 0.91995E-11 -11.0362 0.10000E+01 0.0000 111 ZnOH+ 0.34580E-07 -7.4612 0.17845E-07 -7.7485 0.51605E+00 -0.2873 112 ZnO2-2 0.17821E-19 -19.7491 0.91330E-21 -21.0394 0.51248E-01 -1.2903 113 HZnO2- 0.17051E-14 -14.7683 0.83186E-15 -15.0799 0.48787E+00 -0.3117 Charge balance for all species = 0.1436E-04 Component Molality Aq.molality ppm log[A(N)/A(H+)**Z] (total) 1 H+ 0.7673358E-04 0.1627805E+00 0.1566465E+03 0.0000 2 H2O 0.1000000E+01 0.5537277E+02 0.9524046E+06 0.0000 3 Cl- 0.5499378E+00 0.6614533E+00 0.2238906E+05 3.8555 4 SO4-- 0.2385377E-09 -.1469229E-02 -.1347482E+03 -2.0410 5 HCO3- 0.3518099E-03 0.1389366E+00 0.8093806E+04 0.6787 6 HS- 0.1577576E-03 0.2734037E-01 0.8632739E+03 0.3151 7 H4SiO4 0.7097357E-02 0.7098678E-02 0.6514097E+03 -2.1489 8 Ca++ 0.1559511E-01 0.2985728E-01 0.1142458E+04 5.7208 9 Mg++ 0.6217846E-03 0.8651103E-03 0.2008056E+02 4.2760 10 Fe++ 0.1646186E-04 0.2597312E-04 0.1384866E+01 2.7103 11 K+ 0.7714445E-01 0.7998782E-01 0.2986115E+04 3.0248 12 Na+ 0.4270920E+00 0.5205267E+00 0.1142515E+05 3.7476 13 Zn++ 0.4367706E-08 0.4986167E-05 0.3111924E+00 -0.8659 14 Cu+ 0.6100550E-10 0.4986167E-06 0.3024807E-01 -6.0981 15 Pb++ 0.2602633E-08 0.1994467E-05 0.3945293E+00 -1.0301 Component Tot moles Aq. moles Solid moles Gas moles 1 H+ 0.1632321E+00 0.1632321E+00 0.0000000E+00 0.0000000E+00 2 H2O 0.5550825E+02 0.5552639E+02 -.1814431E-01 0.0000000E+00 3 Cl- 0.6632884E+00 0.6632884E+00 0.0000000E+00 0.0000000E+00 4 SO4-- -.1473305E-02 -.1473305E-02 0.0000000E+00 0.0000000E+00 5 HCO3- 0.1393221E+00 0.1393221E+00 0.0000000E+00 0.0000000E+00 6 HS- 0.2741622E-01 0.2741622E-01 0.0000000E+00 0.0000000E+00 7 H4SiO4 0.1619053E-01 0.7118372E-02 0.9072157E-02 0.0000000E+00 8 Ca++ 0.2994012E-01 0.2994012E-01 0.0000000E+00 0.0000000E+00 9 Mg++ 0.8675104E-03 0.8675104E-03 0.0000000E+00 0.0000000E+00 10 Fe++ 0.2604518E-04 0.2604518E-04 0.0000000E+00 0.0000000E+00 11 K+ 0.8020973E-01 0.8020973E-01 0.0000000E+00 0.0000000E+00 12 Na+ 0.5219708E+00 0.5219708E+00 0.0000000E+00 0.0000000E+00 13 Zn++ 0.5000000E-05 0.5000000E-05 0.0000000E+00 0.0000000E+00 14 Cu+ 0.5000000E-06 0.5000000E-06 0.0000000E+00 0.0000000E+00 15 Pb++ 0.2000000E-05 0.2000000E-05 0.0000000E+00 0.0000000E+00 Chg. balance for solid moles: 0.0000E+00 Mass of aqueous solution: 0.105031E+04 g Temperature = 240.00 C Pressure = 500.00 bar Mixer frac. = 0.0000000 Log Log Vol Gas or mineral Moles Moles Grams Grams Wt.% (cm3) quartz 0.9072E-02 -2.042 0.5451 -0.264 100.0 0.2058 Partial press. Fugacity coef Log fugacity Gas or Mineral Mole fraction or activity Activity coef Log activity quartz 0.1000E+01 0.1000E+01 1.0000 0.000 Solid products produced: Mass = 0.545055 g Volume = 0.205837 cm3 WARNING: mineral volume may be in error because some mineral densities were not supplied in SOLTHERM. See mineral list in file Skip_Species.txt. Gas composition at saturation ( 4 iterations) ------------------------------------------------- Temperature: 240.0000 deg.C Sat. pressure: 75.2632 bar Gas Mole fraction phi Fugacity Partial P(bar) H2O,gas 0.6547E+00 0.7200 0.3548E+02 0.4927E+02 CO2,gas 0.3146E+00 0.9849 0.2332E+02 0.2368E+02 CH4,gas 0.1363E-01 1.1969 0.1227E+01 0.1025E+01 H2,gas 0.5068E-03 1.0294 0.3926E-01 0.3814E-01 H2S,gas 0.1658E-01 0.8955 0.1117E+01 0.1248E+01 S2,gas 0.1505E-11 1.0000 0.1133E-09 0.1133E-09 CO,gas 0.3192E-05 1.0000 0.2402E-03 0.2402E-03 SO3,gas 0.2720E-26 1.0000 0.2047E-24 0.2047E-24 O2,gas 0.3300E-07 1.0000 0.2484E-05 0.2484E-05 SO2,gas 0.3724E-12 1.0000 0.2803E-10 0.2803E-10 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 73 quartz -2.13 -2.13 0.00 0.000 0.00000E+00 70 pyrite -19.03 -17.16 1.87 0.441 -0.44006E+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 1.14 -0.01 -1.15 -1.149 0.26980E+04 1.550 2 CO2,gas -6.84 -8.17 -1.33 -0.444 0.31259E+04 1.368 3 CH4,gas 5.64 3.03 -2.61 -0.652 0.61285E+04 0.089 4 H2,gas 6.90 2.79 -4.10 -2.346 0.96389E+04 -1.406 5 H2S,gas -5.89 -8.54 -2.65 -1.325 0.62242E+04 0.048 6 S2,gas -10.02 -22.66 -12.64 -1.945 0.29691E+05 -9.946 7 CO,gas 0.95 -5.36 -6.32 -1.944 0.14836E+05 -3.619 8 SO3,gas 7.65 -19.74 -27.39 -6.847 0.64309E+05 -24.689 9 O2,gas 32.93 -5.60 -38.53 -25.690 0.90482E+05 -35.835 10 SO2,gas -3.69 -16.94 -13.25 -3.534 0.31115E+05 -10.552 11 HCl,gas 2.52 -5.00 -7.52 -3.761 0.17663E+05 -7.522 12 acmite 5.42 0.78 -4.64 -0.482 0.10890E+05 18 ankerite -5.12 -7.92 -2.80 -0.467 0.65752E+04 21 aragonite -0.70 -2.45 -1.76 -0.586 0.41263E+04 22 brucite 8.60 4.26 -4.34 -0.868 0.10195E+05 23 calcite -0.84 -2.45 -1.62 -0.539 0.37987E+04 28 coesite -1.67 -2.13 -0.46 -0.152 0.10739E+04 30 cristobalite -1.89 -2.13 -0.25 -0.082 0.57632E+03 34 diamond -1.87 -2.56 -0.69 -0.196 0.16133E+04 35 diopside 10.43 5.72 -4.71 -0.471 0.11062E+05 36 hedenbergite 8.88 4.15 -4.73 -0.473 0.11102E+05 37 dolomite,ordered -3.06 -6.35 -3.29 -0.549 0.77300E+04 42 fayalite 7.84 3.27 -4.57 -0.652 0.10722E+05 43 ferrosilite 5.80 1.14 -4.66 -0.466 0.10948E+05 45 goethite 3.73 1.30 -2.44 -0.527 0.57180E+04 46 graphite -2.25 -2.56 -0.31 -0.090 0.73732E+03 49 halite 1.17 -1.25 -2.42 -1.210 0.56814E+04 50 hematite 6.66 2.60 -4.05 -0.491 0.95199E+04 56 magnesite -1.56 -3.90 -2.34 -0.780 0.54976E+04 65 periclase-Fe 7.19 2.70 -4.49 -1.123 0.10545E+05 71 pyrrhotite -5.44 -5.83 -0.39 -0.129 0.90906E+03 72 pyrrhotiteFe0.875 -6.63 -6.51 0.12 0.044 -0.27915E+03 78 siderite -4.00 -5.46 -1.46 -0.488 0.34387E+04 80 stishovite 2.22 -2.13 -4.35 -1.451 0.10223E+05 81 sulfur -8.51 -11.33 -2.82 -0.868 0.66253E+04 82 sylvite 1.26 -1.97 -3.24 -1.618 0.75969E+04 88 tridymite -1.91 -2.13 -0.22 -0.074 0.52212E+03 91 troilite-low -5.47 -5.83 -0.36 -0.119 0.83561E+03 95 walstromite 8.04 3.58 -4.46 -0.892 0.10470E+05 96 wollastonite 7.30 3.58 -3.72 -0.744 0.87388E+04 97 pseudo-wollastonite 7.63 3.58 -4.05 -0.809 0.95016E+04 98 bornite -67.77 -63.33 4.44 0.332 -0.10423E+05 100 chalcedony -2.00 -2.13 -0.14 -0.045 0.31887E+03 101 chalcocite -20.30 -20.73 -0.44 -0.109 0.10269E+04 102 covellite -15.22 -16.03 -0.81 -0.309 0.19076E+04 114 chalcopyrite -23.87 -21.86 2.00 0.373 -0.47035E+04 115 copper,native -1.04 -4.70 -3.66 -1.273 0.85937E+04 116 dolomite,disordered -2.72 -6.35 -3.63 -0.606 0.85318E+04 117 ferrous-oxide 5.82 2.70 -3.12 -0.780 0.73239E+04 118 galena -9.82 -9.57 0.25 0.084 -0.59172E+03 125 silica-amorphous -1.57 -2.13 -0.56 -0.186 0.13085E+04 128 sphalerite -9.73 -9.40 0.33 0.108 -0.76356E+03 129 wurtzite -8.40 -9.40 -1.00 -0.335 0.23584E+04 ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ Test file for CHIM-XPT. Japanese Geothermal Water. Cooling only. See running notes, below. CHIMRUN demo-1 ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ Number of loops used = 12 Loop limit = 470 Temperature = 240.00 C Pressure = 500.00 bar Mixer fraction = 0.0000000 Water: Moles liquid = 0.5566E+02 kg liquid = 0.1003E+01 Moles total = 0.5551E+02 kg total = 0.1000E+01 Activity = 0.9801 Stoichiometric ionic strength = .7744985E+00 Osmotic coef. = 0.8450 True ionic strength = .5666443E+00 Chg. balance for total moles = 0.1440E-04 Max. difference allowed = 0.6633E-04 Log Log Log Species(n) Molality Molality Activity Activity Gamma Gamma 1 H+ 0.82346E-04 -4.0844 0.40159E-04 -4.3962 0.48769E+00 -0.3119 2 H2O 0.98014E+00 -0.0087 0.98014E+00 -0.0087 3 Cl- 0.54994E+00 -0.2597 0.26830E+00 -0.5714 0.48788E+00 -0.3117 4 SO4-- 0.20592E-09 -9.6863 0.11001E-10 -10.9586 0.53424E-01 -1.2723 5 HCO3- 0.32789E-03 -3.4843 0.16641E-03 -3.7788 0.50754E+00 -0.2945 6 HS- 0.14677E-03 -3.8334 0.71920E-04 -4.1432 0.49001E+00 -0.3098 7 H4SiO4 0.70974E-02 -2.1489 0.70974E-02 -2.1489 0.10000E+01 0.0000 8 Ca++ 0.15599E-01 -1.8069 0.73658E-03 -3.1328 0.47219E-01 -1.3259 9 Mg++ 0.62198E-03 -3.2062 0.26451E-04 -4.5776 0.42526E-01 -1.3713 10 Fe++ 0.25436E-06 -6.5946 0.11107E-07 -7.9544 0.43665E-01 -1.3599 11 K+ 0.77144E-01 -1.1127 0.39622E-01 -1.4021 0.51360E+00 -0.2894 12 Na+ 0.42709E+00 -0.3695 0.20930E+00 -0.6792 0.49006E+00 -0.3098 13 Zn++ 0.43694E-08 -8.3596 0.19079E-09 -9.7194 0.43665E-01 -1.3599 14 Cu+ 0.61004E-10 -10.2146 0.29853E-10 -10.5250 0.48936E+00 -0.3104 15 Pb++ 0.29191E-08 -8.5348 0.14655E-09 -9.8340 0.50205E-01 -1.2993 16 HSiO3- 0.59166E-06 -6.2279 0.28866E-06 -6.5396 0.48788E+00 -0.3117 17 Ca(HSiO3)+ 0.13565E-06 -6.8676 0.70004E-07 -7.1549 0.51606E+00 -0.2873 18 Mg(HSiO3)+ 0.35004E-08 -8.4559 0.18064E-08 -8.7432 0.51606E+00 -0.2873 19 NaHSiO3,aq 0.49984E-06 -6.3012 0.49984E-06 -6.3012 0.10000E+01 0.0000 20 CH4,aq 0.14587E-02 -2.8360 0.13242E-02 -2.8781 0.90775E+00 -0.0420 21 C2H6,aq 0.38768E-08 -8.4115 0.35192E-08 -8.4536 0.90775E+00 -0.0420 22 C3H8,aq 0.55849E-13 -13.2530 0.50697E-13 -13.2950 0.90775E+00 -0.0420 23 C4H10,aq 0.76179E-18 -18.1182 0.69152E-18 -18.1602 0.90775E+00 -0.0420 24 ethanol,aq 0.13178E-12 -12.8802 0.11962E-12 -12.9222 0.90775E+00 -0.0420 25 CO,aq 0.39865E-06 -6.3994 0.39865E-06 -6.3994 0.10000E+01 0.0000 26 CO2,aq 0.13703E+00 -0.8632 0.12439E+00 -0.9052 0.90775E+00 -0.0420 27 CO3-2 0.28100E-08 -8.5513 0.14401E-09 -9.8416 0.51251E-01 -1.2903 28 CaCO3,aq 0.53376E-07 -7.2727 0.53376E-07 -7.2727 0.10000E+01 0.0000 29 Ca(HCO3)+ 0.11994E-03 -3.9210 0.61894E-04 -4.2084 0.51606E+00 -0.2873 30 CaCl+ 0.13302E-01 -1.8761 0.68645E-02 -2.1634 0.51606E+00 -0.2873 31 CaCl2,aq 0.83474E-03 -3.0784 0.83474E-03 -3.0784 0.10000E+01 0.0000 32 CaOH+ 0.15863E-05 -5.7996 0.81862E-06 -6.0869 0.51606E+00 -0.2873 33 CaSO4,aq 0.34697E-10 -10.4597 0.34697E-10 -10.4597 0.10000E+01 0.0000 34 HCl,aq 0.16290E-04 -4.7881 0.16290E-04 -4.7881 0.10000E+01 0.0000 38 Cu+2 0.60352E-16 -16.2193 0.27469E-17 -17.5612 0.45514E-01 -1.3419 39 CuCl+ 0.10300E-15 -15.9872 0.53155E-16 -16.2745 0.51606E+00 -0.2873 40 CuCl2,aq 0.14270E-16 -16.8456 0.14270E-16 -16.8456 0.10000E+01 0.0000 41 CuCl3- 0.22451E-18 -18.6488 0.10954E-18 -18.9604 0.48788E+00 -0.3117 43 CuCl,aq 0.45121E-07 -7.3456 0.45121E-07 -7.3456 0.10000E+01 0.0000 44 CuCl2- 0.42424E-06 -6.3724 0.20698E-06 -6.6841 0.48788E+00 -0.3117 45 CuCl3-2 0.29196E-07 -7.5347 0.14963E-08 -8.8250 0.51251E-01 -1.2903 46 CuO,aq 0.47275E-18 -18.3254 0.47275E-18 -18.3254 0.10000E+01 0.0000 47 CuOH+ 0.31310E-17 -17.5043 0.16158E-17 -17.7916 0.51606E+00 -0.2873 50 Fe+3 0.19519E-18 -18.7095 0.22769E-21 -21.6427 0.11665E-02 -2.9331 51 FeCl+ 0.13217E-06 -6.8789 0.68210E-07 -7.1662 0.51606E+00 -0.2873 52 FeCl2,aq 0.12785E-07 -7.8933 0.12785E-07 -7.8933 0.10000E+01 0.0000 53 FeCl+2 0.13292E-17 -17.8764 0.60497E-19 -19.2183 0.45514E-01 -1.3419 54 FeO,aq 0.47904E-11 -11.3196 0.47904E-11 -11.3196 0.10000E+01 0.0000 55 FeOH+ 0.18718E-08 -8.7277 0.96597E-09 -9.0150 0.51606E+00 -0.2873 56 HFeO2- 0.15622E-13 -13.8063 0.76215E-14 -14.1180 0.48788E+00 -0.3117 57 FeO+ 0.67311E-13 -13.1719 0.34736E-13 -13.4592 0.51606E+00 -0.2873 58 FeOH+2 0.70838E-15 -15.1497 0.32241E-16 -16.4916 0.45514E-01 -1.3419 59 FeO2- 0.96371E-14 -14.0161 0.47018E-14 -14.3277 0.48788E+00 -0.3117 60 HFeO2,aq 0.41321E-12 -12.3838 0.41321E-12 -12.3838 0.10000E+01 0.0000 61 H2,aq 0.67197E-04 -4.1727 0.60998E-04 -4.2147 0.90775E+00 -0.0420 62 KCl,aq 0.28434E-02 -2.5462 0.28434E-02 -2.5462 0.10000E+01 0.0000 63 KHSO4,aq 0.14474E-12 -12.8394 0.14474E-12 -12.8394 0.10000E+01 0.0000 64 KOH,aq 0.25234E-07 -7.5980 0.25234E-07 -7.5980 0.10000E+01 0.0000 65 KSO4- 0.12369E-09 -9.9077 0.60345E-10 -10.2194 0.48788E+00 -0.3117 66 MgCO3,aq 0.20673E-09 -9.6846 0.20673E-09 -9.6846 0.10000E+01 0.0000 67 Mg(HCO3)+ 0.39345E-05 -5.4051 0.20304E-05 -5.6924 0.51606E+00 -0.2873 68 MgCl+ 0.23901E-03 -3.6216 0.12334E-03 -3.9089 0.51606E+00 -0.2873 69 MgOH+ 0.18122E-06 -6.7418 0.93519E-07 -7.0291 0.51606E+00 -0.2873 70 NaCl,aq 0.93436E-01 -1.0295 0.93436E-01 -1.0295 0.10000E+01 0.0000 71 NaOH,aq 0.87375E-07 -7.0586 0.87375E-07 -7.0586 0.10000E+01 0.0000 73 OH- 0.62919E-06 -6.2012 0.28675E-06 -6.5425 0.45574E+00 -0.3413 76 PbCl+ 0.55356E-07 -7.2568 0.28567E-07 -7.5441 0.51606E+00 -0.2873 77 PbCl2,aq 0.20961E-06 -6.6786 0.20961E-06 -6.6786 0.10000E+01 0.0000 78 PbCl3- 0.11049E-06 -6.9567 0.53906E-07 -7.2684 0.48788E+00 -0.3117 79 PbCl4-2 0.56442E-07 -7.2484 0.28927E-08 -8.5387 0.51251E-01 -1.2903 80 PbO,aq 0.15936E-11 -11.7976 0.15936E-11 -11.7976 0.10000E+01 0.0000 81 HPbO2- 0.32684E-16 -16.4857 0.15946E-16 -16.7973 0.48788E+00 -0.3117 82 Pb(HS)2,aq 0.15539E-05 -5.8086 0.15539E-05 -5.8086 0.10000E+01 0.0000 83 Pb(HS)3- 0.57888E-08 -8.2374 0.28242E-08 -8.5491 0.48788E+00 -0.3117 84 H2S,aq 0.25670E-01 -1.5906 0.23302E-01 -1.6326 0.90775E+00 -0.0420 85 S2-2 0.26397E-10 -10.5784 0.13529E-11 -11.8687 0.51251E-01 -1.2903 86 S3-2 0.22243E-12 -12.6528 0.11400E-13 -13.9431 0.51251E-01 -1.2903 87 S3- 0.64874E-10 -10.1879 0.31651E-10 -10.4996 0.48788E+00 -0.3117 88 S4-2 0.13696E-14 -14.8634 0.70193E-16 -16.1537 0.51251E-01 -1.2903 89 S5-2 0.62619E-17 -17.2033 0.32093E-18 -18.4936 0.51251E-01 -1.2903 90 SO2,aq 0.16807E-11 -11.7745 0.16807E-11 -11.7745 0.10000E+01 0.0000 91 SO3-2 0.31697E-15 -15.4990 0.20844E-16 -16.6810 0.65759E-01 -1.1820 92 HSO3- 0.25483E-11 -11.5937 0.12433E-11 -11.9054 0.48788E+00 -0.3117 93 HSO4- 0.61063E-10 -10.2142 0.32011E-10 -10.4947 0.52423E+00 -0.2805 95 S2O3-2 0.65450E-13 -13.1841 0.33544E-14 -14.4744 0.51251E-01 -1.2903 96 HS2O3- 0.12942E-14 -14.8880 0.63143E-15 -15.1997 0.48788E+00 -0.3117 97 H2S2O3,aq 0.39397E-17 -17.4045 0.39397E-17 -17.4045 0.10000E+01 0.0000 107 ZnCl+ 0.41145E-05 -5.3857 0.21233E-05 -5.6730 0.51606E+00 -0.2873 108 ZnCl2,aq 0.77841E-06 -6.1088 0.77841E-06 -6.1088 0.10000E+01 0.0000 109 ZnCl3- 0.56593E-07 -7.2472 0.27611E-07 -7.5589 0.48788E+00 -0.3117 110 ZnO,aq 0.79915E-11 -11.0974 0.79915E-11 -11.0974 0.10000E+01 0.0000 111 ZnOH+ 0.32237E-07 -7.4916 0.16636E-07 -7.7789 0.51606E+00 -0.2873 112 ZnO2-2 0.13441E-19 -19.8716 0.68889E-21 -21.1619 0.51251E-01 -1.2903 113 HZnO2- 0.13802E-14 -14.8601 0.67337E-15 -15.1717 0.48788E+00 -0.3117 Charge balance for all species = 0.1436E-04 Component Molality Aq.molality ppm log[A(N)/A(H+)**Z] (total) 1 H+ 0.8234649E-04 0.1627740E+00 0.1566409E+03 -0.0000 2 H2O 0.1000000E+01 0.5537275E+02 0.9524079E+06 0.0000 3 Cl- 0.5499390E+00 0.6614527E+00 0.2238913E+05 3.8248 4 SO4-- 0.2059199E-09 -.1475621E-02 -.1353350E+03 -2.1661 5 HCO3- 0.3278853E-03 0.1389365E+00 0.8093830E+04 0.6174 6 HS- 0.1467716E-03 0.2729560E-01 0.8618634E+03 0.2531 7 H4SiO4 0.7097361E-02 0.7098591E-02 0.6514041E+03 -2.1489 8 Ca++ 0.1559912E-01 0.2985726E-01 0.1142461E+04 5.6596 9 Mg++ 0.6219850E-03 0.8651096E-03 0.2008062E+02 4.2149 10 Fe++ 0.2543581E-06 0.4011950E-06 0.2139148E-01 0.8380 11 K+ 0.7714432E-01 0.7998775E-01 0.2986124E+04 2.9941 12 Na+ 0.4270898E+00 0.5205263E+00 0.1142518E+05 3.7170 13 Zn++ 0.4369380E-08 0.4986163E-05 0.3111933E+00 -0.9270 14 Cu+ 0.6100400E-10 0.4986163E-06 0.3024816E-01 -6.1288 15 Pb++ 0.2919087E-08 0.1994465E-05 0.3945305E+00 -1.0416 Component Tot moles Aq. moles Solid moles Gas moles 1 H+ 0.1632321E+00 0.1632257E+00 0.6410717E-05 0.0000000E+00 2 H2O 0.5550825E+02 0.5552642E+02 -.1817012E-01 0.0000000E+00 3 Cl- 0.6632884E+00 0.6632884E+00 0.0000000E+00 0.0000000E+00 4 SO4-- -.1473305E-02 -.1479716E-02 0.6410717E-05 0.0000000E+00 5 HCO3- 0.1393221E+00 0.1393221E+00 0.0000000E+00 0.0000000E+00 6 HS- 0.2741622E-01 0.2737135E-01 0.4487502E-04 0.0000000E+00 7 H4SiO4 0.1619053E-01 0.7118291E-02 0.9072238E-02 0.0000000E+00 8 Ca++ 0.2994012E-01 0.2994012E-01 0.0000000E+00 0.0000000E+00 9 Mg++ 0.8675104E-03 0.8675104E-03 0.0000000E+00 0.0000000E+00 10 Fe++ 0.2604518E-04 0.4023084E-06 0.2564287E-04 0.0000000E+00 11 K+ 0.8020973E-01 0.8020973E-01 0.0000000E+00 0.0000000E+00 12 Na+ 0.5219708E+00 0.5219708E+00 0.0000000E+00 0.0000000E+00 13 Zn++ 0.5000000E-05 0.5000000E-05 0.0000000E+00 0.0000000E+00 14 Cu+ 0.5000000E-06 0.5000000E-06 0.0000000E+00 0.0000000E+00 15 Pb++ 0.2000000E-05 0.2000000E-05 0.0000000E+00 0.0000000E+00 Chg. balance for solid moles: 0.0000E+00 Mass of aqueous solution: 0.105031E+04 g Temperature = 240.00 C Pressure = 500.00 bar Mixer frac. = 0.0000000 Log Log Vol Gas or mineral Moles Moles Grams Grams Wt.% (cm3) quartz 0.9072E-02 -2.042 0.5451 -0.264 99.44 0.2058 pyrite 0.2564E-04 -4.591 0.3077E-02 -2.512 0.5613 0.6139E-03 Partial press. Fugacity coef Log fugacity Gas or Mineral Mole fraction or activity Activity coef Log activity quartz 0.1000E+01 0.1000E+01 1.0000 0.000 pyrite 0.1000E+01 0.1000E+01 1.0000 0.000 Solid products produced: Mass = 0.548137 g Volume = 0.206452 cm3 WARNING: mineral volume may be in error because some mineral densities were not supplied in SOLTHERM. See mineral list in file Skip_Species.txt. Gas composition at saturation ( 4 iterations) ------------------------------------------------- Temperature: 240.0000 deg.C Sat. pressure: 75.2725 bar Gas Mole fraction phi Fugacity Partial P(bar) H2O,gas 0.6546E+00 0.7200 0.3548E+02 0.4928E+02 CO2,gas 0.3146E+00 0.9849 0.2332E+02 0.2368E+02 CH4,gas 0.1368E-01 1.1969 0.1233E+01 0.1030E+01 H2,gas 0.5072E-03 1.0294 0.3930E-01 0.3818E-01 H2S,gas 0.1655E-01 0.8954 0.1116E+01 0.1246E+01 S2,gas 0.1497E-11 1.0000 0.1127E-09 0.1127E-09 CO,gas 0.3196E-05 1.0000 0.2405E-03 0.2405E-03 SO3,gas 0.2704E-26 1.0000 0.2035E-24 0.2035E-24 O2,gas 0.3293E-07 1.0000 0.2478E-05 0.2478E-05 SO2,gas 0.3706E-12 1.0000 0.2790E-10 0.2790E-10 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 70 pyrite -19.03 -19.03 0.00 0.000 0.00000E+00 73 quartz -2.13 -2.13 0.00 0.000 0.00000E+00 98 bornite -67.77 -65.36 2.41 0.180 -0.56599E+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 1.14 -0.01 -1.15 -1.149 0.26980E+04 1.550 2 CO2,gas -6.84 -8.17 -1.33 -0.444 0.31257E+04 1.368 3 CH4,gas 5.64 3.03 -2.61 -0.652 0.61240E+04 0.091 4 H2,gas 6.90 2.79 -4.10 -2.345 0.96378E+04 -1.406 5 H2S,gas -5.89 -8.54 -2.65 -1.326 0.62258E+04 0.048 6 S2,gas -10.02 -22.67 -12.65 -1.946 0.29696E+05 -9.948 7 CO,gas 0.95 -5.36 -6.32 -1.944 0.14835E+05 -3.619 8 SO3,gas 7.65 -19.74 -27.39 -6.848 0.64315E+05 -24.691 9 O2,gas 32.93 -5.61 -38.54 -25.690 0.90484E+05 -35.836 10 SO2,gas -3.69 -16.94 -13.25 -3.534 0.31120E+05 -10.554 11 HCl,gas 2.52 -4.97 -7.49 -3.746 0.17591E+05 -7.492 18 ankerite -5.12 -9.85 -4.73 -0.789 0.11115E+05 21 aragonite -0.70 -2.52 -1.82 -0.606 0.42698E+04 22 brucite 8.60 4.20 -4.40 -0.881 0.10339E+05 23 calcite -0.84 -2.52 -1.68 -0.560 0.39422E+04 28 coesite -1.67 -2.13 -0.46 -0.152 0.10739E+04 30 cristobalite -1.89 -2.13 -0.25 -0.082 0.57632E+03 34 diamond -1.87 -2.56 -0.69 -0.196 0.16109E+04 35 diopside 10.43 5.59 -4.83 -0.483 0.11349E+05 37 dolomite,ordered -3.06 -6.48 -3.41 -0.569 0.80169E+04 45 goethite 3.73 -0.58 -4.31 -0.931 0.10115E+05 46 graphite -2.25 -2.56 -0.31 -0.089 0.73499E+03 49 halite 1.17 -1.25 -2.42 -1.210 0.56814E+04 56 magnesite -1.56 -3.96 -2.40 -0.801 0.56410E+04 71 pyrrhotite -5.44 -7.70 -2.26 -0.753 0.53071E+04 72 pyrrhotiteFe0.875 -6.63 -8.15 -1.52 -0.559 0.35694E+04 78 siderite -4.00 -7.34 -3.34 -1.112 0.78350E+04 80 stishovite 2.22 -2.13 -4.35 -1.451 0.10223E+05 81 sulfur -8.51 -11.33 -2.82 -0.869 0.66279E+04 82 sylvite 1.26 -1.97 -3.24 -1.618 0.75969E+04 88 tridymite -1.91 -2.13 -0.22 -0.074 0.52212E+03 91 troilite-low -5.47 -7.70 -2.23 -0.743 0.52336E+04 95 walstromite 8.04 3.52 -4.52 -0.904 0.10613E+05 96 wollastonite 7.30 3.52 -3.78 -0.757 0.88825E+04 97 pseudo-wollastonite 7.63 3.52 -4.11 -0.822 0.96453E+04 100 chalcedony -2.00 -2.13 -0.14 -0.045 0.31887E+03 101 chalcocite -20.30 -20.80 -0.50 -0.125 0.11725E+04 102 covellite -15.22 -16.07 -0.84 -0.322 0.19817E+04 114 chalcopyrite -23.87 -23.77 0.10 0.018 -0.23138E+03 115 copper,native -1.04 -4.73 -3.69 -1.284 0.86652E+04 116 dolomite,disordered -2.72 -6.48 -3.76 -0.626 0.88187E+04 117 ferrous-oxide 5.82 0.83 -4.99 -1.248 0.11720E+05 118 galena -9.82 -9.58 0.24 0.080 -0.56321E+03 125 silica-amorphous -1.57 -2.13 -0.56 -0.186 0.13085E+04 128 sphalerite -9.73 -9.47 0.26 0.088 -0.61843E+03 129 wurtzite -8.40 -9.47 -1.07 -0.355 0.25035E+04 ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ Test file for CHIM-XPT. Japanese Geothermal Water. Cooling only. See running notes, below. CHIMRUN demo-1 ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ Number of loops used = 8 Loop limit = 470 Temperature = 240.00 C Pressure = 500.00 bar Mixer fraction = 0.0000000 Water: Moles liquid = 0.5566E+02 kg liquid = 0.1003E+01 Moles total = 0.5551E+02 kg total = 0.1000E+01 Activity = 0.9801 Stoichiometric ionic strength = .7744983E+00 Osmotic coef. = 0.8450 True ionic strength = .5666443E+00 Chg. balance for total moles = 0.1440E-04 Max. difference allowed = 0.6633E-04 Log Log Log Species(n) Molality Molality Activity Activity Gamma Gamma 1 H+ 0.82386E-04 -4.0841 0.40178E-04 -4.3960 0.48769E+00 -0.3119 2 H2O 0.98014E+00 -0.0087 0.98014E+00 -0.0087 3 Cl- 0.54994E+00 -0.2597 0.26830E+00 -0.5714 0.48788E+00 -0.3117 4 SO4-- 0.20573E-09 -9.6867 0.10991E-10 -10.9590 0.53424E-01 -1.2723 5 HCO3- 0.32773E-03 -3.4845 0.16634E-03 -3.7790 0.50754E+00 -0.2945 6 HS- 0.14670E-03 -3.8336 0.71885E-04 -4.1434 0.49001E+00 -0.3098 7 H4SiO4 0.70974E-02 -2.1489 0.70974E-02 -2.1489 0.10000E+01 0.0000 8 Ca++ 0.15599E-01 -1.8069 0.73658E-03 -3.1328 0.47219E-01 -1.3259 9 Mg++ 0.62199E-03 -3.2062 0.26451E-04 -4.5776 0.42526E-01 -1.3713 10 Fe++ 0.25460E-06 -6.5941 0.11117E-07 -7.9540 0.43665E-01 -1.3599 11 K+ 0.77144E-01 -1.1127 0.39622E-01 -1.4021 0.51360E+00 -0.2894 12 Na+ 0.42709E+00 -0.3695 0.20930E+00 -0.6792 0.49006E+00 -0.3098 13 Zn++ 0.43694E-08 -8.3596 0.19079E-09 -9.7194 0.43665E-01 -1.3599 14 Cu+ 0.20113E-10 -10.6965 0.98426E-11 -11.0069 0.48936E+00 -0.3104 15 Pb++ 0.29213E-08 -8.5344 0.14666E-09 -9.8337 0.50205E-01 -1.2993 16 HSiO3- 0.59138E-06 -6.2281 0.28852E-06 -6.5398 0.48788E+00 -0.3117 17 Ca(HSiO3)+ 0.13559E-06 -6.8678 0.69971E-07 -7.1551 0.51606E+00 -0.2873 18 Mg(HSiO3)+ 0.34988E-08 -8.4561 0.18056E-08 -8.7434 0.51606E+00 -0.2873 19 NaHSiO3,aq 0.49960E-06 -6.3014 0.49960E-06 -6.3014 0.10000E+01 0.0000 20 CH4,aq 0.14587E-02 -2.8360 0.13241E-02 -2.8781 0.90775E+00 -0.0420 21 C2H6,aq 0.38767E-08 -8.4115 0.35191E-08 -8.4536 0.90775E+00 -0.0420 22 C3H8,aq 0.55848E-13 -13.2530 0.50696E-13 -13.2950 0.90775E+00 -0.0420 23 C4H10,aq 0.76178E-18 -18.1182 0.69150E-18 -18.1602 0.90775E+00 -0.0420 24 ethanol,aq 0.13178E-12 -12.8802 0.11962E-12 -12.9222 0.90775E+00 -0.0420 25 CO,aq 0.39865E-06 -6.3994 0.39865E-06 -6.3994 0.10000E+01 0.0000 26 CO2,aq 0.13703E+00 -0.8632 0.12439E+00 -0.9052 0.90775E+00 -0.0420 27 CO3-2 0.28073E-08 -8.5517 0.14388E-09 -9.8420 0.51251E-01 -1.2903 28 CaCO3,aq 0.53325E-07 -7.2731 0.53325E-07 -7.2731 0.10000E+01 0.0000 29 Ca(HCO3)+ 0.11988E-03 -3.9213 0.61865E-04 -4.2086 0.51606E+00 -0.2873 30 CaCl+ 0.13302E-01 -1.8761 0.68645E-02 -2.1634 0.51606E+00 -0.2873 31 CaCl2,aq 0.83475E-03 -3.0784 0.83475E-03 -3.0784 0.10000E+01 0.0000 32 CaOH+ 0.15855E-05 -5.7998 0.81823E-06 -6.0871 0.51606E+00 -0.2873 33 CaSO4,aq 0.34664E-10 -10.4601 0.34664E-10 -10.4601 0.10000E+01 0.0000 34 HCl,aq 0.16298E-04 -4.7879 0.16298E-04 -4.7879 0.10000E+01 0.0000 38 Cu+2 0.19908E-16 -16.7010 0.90608E-18 -18.0428 0.45514E-01 -1.3419 39 CuCl+ 0.33976E-16 -16.4688 0.17534E-16 -16.7561 0.51606E+00 -0.2873 40 CuCl2,aq 0.47070E-17 -17.3273 0.47070E-17 -17.3273 0.10000E+01 0.0000 41 CuCl3- 0.74059E-19 -19.1304 0.36132E-19 -19.4421 0.48788E+00 -0.3117 43 CuCl,aq 0.14876E-07 -7.8275 0.14876E-07 -7.8275 0.10000E+01 0.0000 44 CuCl2- 0.13987E-06 -6.8543 0.68241E-07 -7.1660 0.48788E+00 -0.3117 45 CuCl3-2 0.96261E-08 -8.0166 0.49335E-09 -9.3068 0.51251E-01 -1.2903 46 CuO,aq 0.15579E-18 -18.8075 0.15579E-18 -18.8075 0.10000E+01 0.0000 47 CuOH+ 0.10323E-17 -17.9862 0.53272E-18 -18.2735 0.51606E+00 -0.2873 50 Fe+3 0.19547E-18 -18.7089 0.22802E-21 -21.6420 0.11665E-02 -2.9331 51 FeCl+ 0.13230E-06 -6.8784 0.68275E-07 -7.1657 0.51606E+00 -0.2873 52 FeCl2,aq 0.12798E-07 -7.8929 0.12798E-07 -7.8929 0.10000E+01 0.0000 53 FeCl+2 0.13311E-17 -17.8758 0.60584E-19 -19.2176 0.45514E-01 -1.3419 54 FeO,aq 0.47905E-11 -11.3196 0.47905E-11 -11.3196 0.10000E+01 0.0000 55 FeOH+ 0.18727E-08 -8.7275 0.96643E-09 -9.0148 0.51606E+00 -0.2873 56 HFeO2- 0.15614E-13 -13.8065 0.76179E-14 -14.1182 0.48788E+00 -0.3117 57 FeO+ 0.67343E-13 -13.1717 0.34753E-13 -13.4590 0.51606E+00 -0.2873 58 FeOH+2 0.70906E-15 -15.1493 0.32272E-16 -16.4912 0.45514E-01 -1.3419 59 FeO2- 0.96326E-14 -14.0163 0.46995E-14 -14.3279 0.48788E+00 -0.3117 60 HFeO2,aq 0.41321E-12 -12.3838 0.41321E-12 -12.3838 0.10000E+01 0.0000 61 H2,aq 0.67197E-04 -4.1727 0.60998E-04 -4.2147 0.90775E+00 -0.0420 62 KCl,aq 0.28434E-02 -2.5462 0.28434E-02 -2.5462 0.10000E+01 0.0000 63 KHSO4,aq 0.14467E-12 -12.8396 0.14467E-12 -12.8396 0.10000E+01 0.0000 64 KOH,aq 0.25222E-07 -7.5982 0.25222E-07 -7.5982 0.10000E+01 0.0000 65 KSO4- 0.12357E-09 -9.9081 0.60288E-10 -10.2198 0.48788E+00 -0.3117 66 MgCO3,aq 0.20653E-09 -9.6850 0.20653E-09 -9.6850 0.10000E+01 0.0000 67 Mg(HCO3)+ 0.39327E-05 -5.4053 0.20295E-05 -5.6926 0.51606E+00 -0.2873 68 MgCl+ 0.23901E-03 -3.6216 0.12334E-03 -3.9089 0.51606E+00 -0.2873 69 MgOH+ 0.18113E-06 -6.7420 0.93475E-07 -7.0293 0.51606E+00 -0.2873 70 NaCl,aq 0.93436E-01 -1.0295 0.93436E-01 -1.0295 0.10000E+01 0.0000 71 NaOH,aq 0.87334E-07 -7.0588 0.87334E-07 -7.0588 0.10000E+01 0.0000 73 OH- 0.62889E-06 -6.2014 0.28661E-06 -6.5427 0.45574E+00 -0.3413 76 PbCl+ 0.55397E-07 -7.2565 0.28588E-07 -7.5438 0.51606E+00 -0.2873 77 PbCl2,aq 0.20977E-06 -6.6783 0.20977E-06 -6.6783 0.10000E+01 0.0000 78 PbCl3- 0.11057E-06 -6.9563 0.53946E-07 -7.2680 0.48788E+00 -0.3117 79 PbCl4-2 0.56484E-07 -7.2481 0.28949E-08 -8.5384 0.51251E-01 -1.2903 80 PbO,aq 0.15933E-11 -11.7977 0.15933E-11 -11.7977 0.10000E+01 0.0000 81 HPbO2- 0.32662E-16 -16.4860 0.15935E-16 -16.7976 0.48788E+00 -0.3117 82 Pb(HS)2,aq 0.15535E-05 -5.8087 0.15535E-05 -5.8087 0.10000E+01 0.0000 83 Pb(HS)3- 0.57848E-08 -8.2377 0.28223E-08 -8.5494 0.48788E+00 -0.3117 84 H2S,aq 0.25670E-01 -1.5906 0.23302E-01 -1.6326 0.90775E+00 -0.0420 85 S2-2 0.26372E-10 -10.5789 0.13516E-11 -11.8692 0.51251E-01 -1.2903 86 S3-2 0.22222E-12 -12.6532 0.11389E-13 -13.9435 0.51251E-01 -1.2903 87 S3- 0.64843E-10 -10.1881 0.31636E-10 -10.4998 0.48788E+00 -0.3117 88 S4-2 0.13683E-14 -14.8638 0.70126E-16 -16.1541 0.51251E-01 -1.2903 89 S5-2 0.62560E-17 -17.2037 0.32063E-18 -18.4940 0.51251E-01 -1.2903 90 SO2,aq 0.16808E-11 -11.7745 0.16808E-11 -11.7745 0.10000E+01 0.0000 91 SO3-2 0.31667E-15 -15.4994 0.20824E-16 -16.6814 0.65759E-01 -1.1820 92 HSO3- 0.25471E-11 -11.5940 0.12427E-11 -11.9056 0.48788E+00 -0.3117 93 HSO4- 0.61034E-10 -10.2144 0.31996E-10 -10.4949 0.52423E+00 -0.2805 95 S2O3-2 0.65388E-13 -13.1845 0.33512E-14 -14.4748 0.51251E-01 -1.2903 96 HS2O3- 0.12936E-14 -14.8882 0.63113E-15 -15.1999 0.48788E+00 -0.3117 97 H2S2O3,aq 0.39398E-17 -17.4045 0.39398E-17 -17.4045 0.10000E+01 0.0000 107 ZnCl+ 0.41146E-05 -5.3857 0.21234E-05 -5.6730 0.51606E+00 -0.2873 108 ZnCl2,aq 0.77841E-06 -6.1088 0.77841E-06 -6.1088 0.10000E+01 0.0000 109 ZnCl3- 0.56593E-07 -7.2472 0.27611E-07 -7.5589 0.48788E+00 -0.3117 110 ZnO,aq 0.79840E-11 -11.0978 0.79840E-11 -11.0978 0.10000E+01 0.0000 111 ZnOH+ 0.32222E-07 -7.4918 0.16628E-07 -7.7791 0.51606E+00 -0.2873 112 ZnO2-2 0.13416E-19 -19.8724 0.68758E-21 -21.1627 0.51251E-01 -1.2903 113 HZnO2- 0.13782E-14 -14.8607 0.67241E-15 -15.1724 0.48788E+00 -0.3117 Charge balance for all species = 0.1436E-04 Component Molality Aq.molality ppm log[A(N)/A(H+)**Z] (total) 1 H+ 0.8238565E-04 0.1627742E+00 0.1566411E+03 0.0000 2 H2O 0.1000000E+01 0.5537275E+02 0.9524079E+06 0.0000 3 Cl- 0.5499396E+00 0.6614527E+00 0.2238913E+05 3.8246 4 SO4-- 0.2057252E-09 -.1475612E-02 -.1353342E+03 -2.1670 5 HCO3- 0.3277300E-03 0.1389365E+00 0.8093830E+04 0.6170 6 HS- 0.1467015E-03 0.2729546E-01 0.8618589E+03 0.2526 7 H4SiO4 0.7097361E-02 0.7098591E-02 0.6514041E+03 -2.1489 8 Ca++ 0.1559914E-01 0.2985726E-01 0.1142461E+04 5.6592 9 Mg++ 0.6219862E-03 0.8651096E-03 0.2008062E+02 4.2145 10 Fe++ 0.2546009E-06 0.4015772E-06 0.2141186E-01 0.8380 11 K+ 0.7714432E-01 0.7998775E-01 0.2986124E+04 2.9939 12 Na+ 0.4270898E+00 0.5205263E+00 0.1142518E+05 3.7168 13 Zn++ 0.4369389E-08 0.4986163E-05 0.3111933E+00 -0.9274 14 Cu+ 0.2011322E-10 0.1643958E-06 0.9972939E-02 -6.6109 15 Pb++ 0.2921272E-08 0.1994465E-05 0.3945305E+00 -1.0417 Component Tot moles Aq. moles Solid moles Gas moles 1 H+ 0.1632321E+00 0.1632259E+00 0.6201154E-05 0.0000000E+00 2 H2O 0.5550825E+02 0.5552642E+02 -.1817009E-01 0.0000000E+00 3 Cl- 0.6632884E+00 0.6632884E+00 0.0000000E+00 0.0000000E+00 4 SO4-- -.1473305E-02 -.1479708E-02 0.6402243E-05 0.0000000E+00 5 HCO3- 0.1393221E+00 0.1393221E+00 0.0000000E+00 0.0000000E+00 6 HS- 0.2741622E-01 0.2737121E-01 0.4501679E-04 0.0000000E+00 7 H4SiO4 0.1619053E-01 0.7118291E-02 0.9072238E-02 0.0000000E+00 8 Ca++ 0.2994012E-01 0.2994012E-01 0.0000000E+00 0.0000000E+00 9 Mg++ 0.8675104E-03 0.8675104E-03 0.0000000E+00 0.0000000E+00 10 Fe++ 0.2604518E-04 0.4026917E-06 0.2564249E-04 0.0000000E+00 11 K+ 0.8020973E-01 0.8020973E-01 0.0000000E+00 0.0000000E+00 12 Na+ 0.5219708E+00 0.5219708E+00 0.0000000E+00 0.0000000E+00 13 Zn++ 0.5000000E-05 0.5000000E-05 0.0000000E+00 0.0000000E+00 14 Cu+ 0.5000000E-06 0.1648520E-06 0.3351480E-06 0.0000000E+00 15 Pb++ 0.2000000E-05 0.2000000E-05 0.0000000E+00 0.0000000E+00 Chg. balance for solid moles: -.1588E-21 Mass of aqueous solution: 0.105031E+04 g Temperature = 240.00 C Pressure = 500.00 bar Mixer frac. = 0.0000000 Log Log Vol Gas or mineral Moles Moles Grams Grams Wt.% (cm3) pyrite 0.2558E-04 -4.592 0.3069E-02 -2.513 0.5598 0.6122E-03 quartz 0.9072E-02 -2.042 0.5451 -0.264 99.43 0.2058 bornite 0.6703E-07 -7.174 0.3364E-04 -4.473 0.6136E-02 0.6617E-05 Partial press. Fugacity coef Log fugacity Gas or Mineral Mole fraction or activity Activity coef Log activity pyrite 0.1000E+01 0.1000E+01 1.0000 0.000 quartz 0.1000E+01 0.1000E+01 1.0000 0.000 bornite 0.1000E+01 0.1000E+01 1.0000 0.000 Solid products produced: Mass = 0.548162 g Volume = 0.206457 cm3 WARNING: mineral volume may be in error because some mineral densities were not supplied in SOLTHERM. See mineral list in file Skip_Species.txt. Gas composition at saturation ( 4 iterations) ------------------------------------------------- Temperature: 240.0000 deg.C Sat. pressure: 75.2725 bar Gas Mole fraction phi Fugacity Partial P(bar) H2O,gas 0.6546E+00 0.7200 0.3548E+02 0.4928E+02 CO2,gas 0.3146E+00 0.9849 0.2332E+02 0.2368E+02 CH4,gas 0.1368E-01 1.1969 0.1233E+01 0.1030E+01 H2,gas 0.5072E-03 1.0294 0.3930E-01 0.3818E-01 H2S,gas 0.1655E-01 0.8954 0.1116E+01 0.1246E+01 S2,gas 0.1497E-11 1.0000 0.1127E-09 0.1127E-09 CO,gas 0.3196E-05 1.0000 0.2405E-03 0.2405E-03 SO3,gas 0.2704E-26 1.0000 0.2035E-24 0.2035E-24 O2,gas 0.3293E-07 1.0000 0.2478E-05 0.2478E-05 SO2,gas 0.3706E-12 1.0000 0.2790E-10 0.2790E-10 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 70 pyrite -19.03 -19.03 0.00 0.000 0.00000E+00 73 quartz -2.13 -2.13 0.00 0.000 0.00000E+00 98 bornite -67.77 -67.77 -0.00 -0.000 0.66737E-10 128 sphalerite -9.73 -9.47 0.26 0.088 -0.61746E+03 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 1.14 -0.01 -1.15 -1.149 0.26980E+04 1.550 2 CO2,gas -6.84 -8.17 -1.33 -0.444 0.31257E+04 1.368 3 CH4,gas 5.64 3.03 -2.61 -0.652 0.61240E+04 0.091 4 H2,gas 6.90 2.79 -4.10 -2.345 0.96378E+04 -1.406 5 H2S,gas -5.89 -8.54 -2.65 -1.326 0.62258E+04 0.048 6 S2,gas -10.02 -22.67 -12.65 -1.946 0.29696E+05 -9.948 7 CO,gas 0.95 -5.36 -6.32 -1.944 0.14835E+05 -3.619 8 SO3,gas 7.65 -19.74 -27.39 -6.848 0.64315E+05 -24.691 9 O2,gas 32.93 -5.61 -38.54 -25.690 0.90484E+05 -35.836 10 SO2,gas -3.69 -16.94 -13.25 -3.534 0.31120E+05 -10.554 11 HCl,gas 2.52 -4.97 -7.49 -3.746 0.17590E+05 -7.491 18 ankerite -5.12 -9.85 -4.73 -0.789 0.11116E+05 21 aragonite -0.70 -2.52 -1.82 -0.606 0.42708E+04 22 brucite 8.60 4.20 -4.40 -0.881 0.10340E+05 23 calcite -0.84 -2.52 -1.68 -0.560 0.39432E+04 28 coesite -1.67 -2.13 -0.46 -0.152 0.10739E+04 30 cristobalite -1.89 -2.13 -0.25 -0.082 0.57632E+03 34 diamond -1.87 -2.56 -0.69 -0.196 0.16109E+04 35 diopside 10.43 5.59 -4.83 -0.483 0.11351E+05 37 dolomite,ordered -3.06 -6.48 -3.42 -0.569 0.80188E+04 45 goethite 3.73 -0.58 -4.31 -0.931 0.10115E+05 46 graphite -2.25 -2.56 -0.31 -0.089 0.73499E+03 49 halite 1.17 -1.25 -2.42 -1.210 0.56814E+04 56 magnesite -1.56 -3.96 -2.40 -0.801 0.56420E+04 71 pyrrhotite -5.44 -7.70 -2.26 -0.753 0.53071E+04 72 pyrrhotiteFe0.875 -6.63 -8.15 -1.52 -0.559 0.35694E+04 78 siderite -4.00 -7.34 -3.34 -1.112 0.78349E+04 80 stishovite 2.22 -2.13 -4.35 -1.451 0.10223E+05 81 sulfur -8.51 -11.33 -2.82 -0.869 0.66279E+04 82 sylvite 1.26 -1.97 -3.24 -1.618 0.75969E+04 88 tridymite -1.91 -2.13 -0.22 -0.074 0.52212E+03 91 troilite-low -5.47 -7.70 -2.23 -0.743 0.52336E+04 95 walstromite 8.04 3.52 -4.52 -0.904 0.10614E+05 96 wollastonite 7.30 3.52 -3.78 -0.757 0.88835E+04 97 pseudo-wollastonite 7.63 3.52 -4.11 -0.822 0.96462E+04 100 chalcedony -2.00 -2.13 -0.14 -0.045 0.31887E+03 101 chalcocite -20.30 -21.76 -1.46 -0.366 0.34365E+04 102 covellite -15.22 -16.55 -1.33 -0.505 0.31137E+04 114 chalcopyrite -23.87 -24.25 -0.38 -0.071 0.90059E+03 115 copper,native -1.04 -5.21 -4.17 -1.451 0.97971E+04 116 dolomite,disordered -2.72 -6.48 -3.76 -0.626 0.88206E+04 117 ferrous-oxide 5.82 0.83 -4.99 -1.248 0.11720E+05 118 galena -9.82 -9.58 0.24 0.080 -0.56300E+03 125 silica-amorphous -1.57 -2.13 -0.56 -0.186 0.13085E+04 129 wurtzite -8.40 -9.47 -1.07 -0.356 0.25045E+04 ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ Test file for CHIM-XPT. Japanese Geothermal Water. Cooling only. See running notes, below. CHIMRUN demo-1 ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ Number of loops used = 9 Loop limit = 470 Temperature = 240.00 C Pressure = 500.00 bar Mixer fraction = 0.0000000 Water: Moles liquid = 0.5566E+02 kg liquid = 0.1003E+01 Moles total = 0.5551E+02 kg total = 0.1000E+01 Activity = 0.9801 Stoichiometric ionic strength = .7744928E+00 Osmotic coef. = 0.8450 True ionic strength = .5666434E+00 Chg. balance for total moles = 0.1440E-04 Max. difference allowed = 0.6633E-04 Log Log Log Species(n) Molality Molality Activity Activity Gamma Gamma 1 H+ 0.82909E-04 -4.0814 0.40434E-04 -4.3933 0.48769E+00 -0.3119 2 H2O 0.98014E+00 -0.0087 0.98014E+00 -0.0087 3 Cl- 0.54994E+00 -0.2597 0.26831E+00 -0.5714 0.48788E+00 -0.3117 4 SO4-- 0.20313E-09 -9.6922 0.10852E-10 -10.9645 0.53424E-01 -1.2723 5 HCO3- 0.32567E-03 -3.4872 0.16529E-03 -3.7818 0.50754E+00 -0.2945 6 HS- 0.14577E-03 -3.8363 0.71428E-04 -4.1461 0.49001E+00 -0.3098 7 H4SiO4 0.70974E-02 -2.1489 0.70974E-02 -2.1489 0.10000E+01 0.0000 8 Ca++ 0.15600E-01 -1.8069 0.73660E-03 -3.1328 0.47219E-01 -1.3259 9 Mg++ 0.62200E-03 -3.2062 0.26452E-04 -4.5775 0.42527E-01 -1.3713 10 Fe++ 0.25787E-06 -6.5886 0.11260E-07 -7.9485 0.43665E-01 -1.3599 11 K+ 0.77144E-01 -1.1127 0.39622E-01 -1.4021 0.51360E+00 -0.2894 12 Na+ 0.42709E+00 -0.3695 0.20930E+00 -0.6792 0.49006E+00 -0.3098 13 Zn++ 0.24154E-08 -8.6170 0.10547E-09 -9.9769 0.43665E-01 -1.3599 14 Cu+ 0.20241E-10 -10.6938 0.99054E-11 -11.0041 0.48936E+00 -0.3104 15 Pb++ 0.29506E-08 -8.5301 0.14813E-09 -9.8293 0.50205E-01 -1.2993 16 HSiO3- 0.58764E-06 -6.2309 0.28670E-06 -6.5426 0.48788E+00 -0.3117 17 Ca(HSiO3)+ 0.13473E-06 -6.8705 0.69530E-07 -7.1578 0.51606E+00 -0.2873 18 Mg(HSiO3)+ 0.34768E-08 -8.4588 0.17942E-08 -8.7461 0.51606E+00 -0.2873 19 NaHSiO3,aq 0.49644E-06 -6.3041 0.49644E-06 -6.3041 0.10000E+01 0.0000 20 CH4,aq 0.14587E-02 -2.8360 0.13241E-02 -2.8781 0.90775E+00 -0.0420 21 C2H6,aq 0.38768E-08 -8.4115 0.35191E-08 -8.4536 0.90775E+00 -0.0420 22 C3H8,aq 0.55848E-13 -13.2530 0.50697E-13 -13.2950 0.90775E+00 -0.0420 23 C4H10,aq 0.76179E-18 -18.1182 0.69151E-18 -18.1602 0.90775E+00 -0.0420 24 ethanol,aq 0.13178E-12 -12.8802 0.11962E-12 -12.9222 0.90775E+00 -0.0420 25 CO,aq 0.39866E-06 -6.3994 0.39866E-06 -6.3994 0.10000E+01 0.0000 26 CO2,aq 0.13703E+00 -0.8632 0.12439E+00 -0.9052 0.90775E+00 -0.0420 27 CO3-2 0.27720E-08 -8.5572 0.14207E-09 -9.8475 0.51251E-01 -1.2903 28 CaCO3,aq 0.52656E-07 -7.2786 0.52656E-07 -7.2786 0.10000E+01 0.0000 29 Ca(HCO3)+ 0.11913E-03 -3.9240 0.61477E-04 -4.2113 0.51606E+00 -0.2873 30 CaCl+ 0.13302E-01 -1.8761 0.68647E-02 -2.1634 0.51606E+00 -0.2873 31 CaCl2,aq 0.83477E-03 -3.0784 0.83477E-03 -3.0784 0.10000E+01 0.0000 32 CaOH+ 0.15756E-05 -5.8026 0.81308E-06 -6.0899 0.51606E+00 -0.2873 33 CaSO4,aq 0.34227E-10 -10.4656 0.34227E-10 -10.4656 0.10000E+01 0.0000 34 HCl,aq 0.16402E-04 -4.7851 0.16402E-04 -4.7851 0.10000E+01 0.0000 38 Cu+2 0.20162E-16 -16.6955 0.91765E-18 -18.0373 0.45514E-01 -1.3419 39 CuCl+ 0.34410E-16 -16.4633 0.17758E-16 -16.7506 0.51606E+00 -0.2873 40 CuCl2,aq 0.47671E-17 -17.3217 0.47671E-17 -17.3217 0.10000E+01 0.0000 41 CuCl3- 0.75006E-19 -19.1249 0.36594E-19 -19.4366 0.48788E+00 -0.3117 43 CuCl,aq 0.14971E-07 -7.8247 0.14971E-07 -7.8247 0.10000E+01 0.0000 44 CuCl2- 0.14077E-06 -6.8515 0.68677E-07 -7.1632 0.48788E+00 -0.3117 45 CuCl3-2 0.96876E-08 -8.0138 0.49650E-09 -9.3041 0.51251E-01 -1.2903 46 CuO,aq 0.15580E-18 -18.8074 0.15580E-18 -18.8074 0.10000E+01 0.0000 47 CuOH+ 0.10389E-17 -17.9834 0.53612E-18 -18.2707 0.51606E+00 -0.2873 50 Fe+3 0.19924E-18 -18.7006 0.23241E-21 -21.6337 0.11665E-02 -2.9331 51 FeCl+ 0.13400E-06 -6.8729 0.69152E-07 -7.1602 0.51606E+00 -0.2873 52 FeCl2,aq 0.12962E-07 -7.8873 0.12962E-07 -7.8873 0.10000E+01 0.0000 53 FeCl+2 0.13568E-17 -17.8675 0.61752E-19 -19.2093 0.45514E-01 -1.3419 54 FeO,aq 0.47909E-11 -11.3196 0.47909E-11 -11.3196 0.10000E+01 0.0000 55 FeOH+ 0.18848E-08 -8.7247 0.97266E-09 -9.0120 0.51606E+00 -0.2873 56 HFeO2- 0.15517E-13 -13.8092 0.75705E-14 -14.1209 0.48788E+00 -0.3117 57 FeO+ 0.67778E-13 -13.1689 0.34977E-13 -13.4562 0.51606E+00 -0.2873 58 FeOH+2 0.71817E-15 -15.1438 0.32687E-16 -16.4856 0.45514E-01 -1.3419 59 FeO2- 0.95727E-14 -14.0190 0.46703E-14 -14.3307 0.48788E+00 -0.3117 60 HFeO2,aq 0.41325E-12 -12.3838 0.41325E-12 -12.3838 0.10000E+01 0.0000 61 H2,aq 0.67196E-04 -4.1727 0.60998E-04 -4.2147 0.90775E+00 -0.0420 62 KCl,aq 0.28434E-02 -2.5462 0.28434E-02 -2.5462 0.10000E+01 0.0000 63 KHSO4,aq 0.14375E-12 -12.8424 0.14375E-12 -12.8424 0.10000E+01 0.0000 64 KOH,aq 0.25063E-07 -7.6010 0.25063E-07 -7.6010 0.10000E+01 0.0000 65 KSO4- 0.12201E-09 -9.9136 0.59527E-10 -10.2253 0.48788E+00 -0.3117 66 MgCO3,aq 0.20394E-09 -9.6905 0.20394E-09 -9.6905 0.10000E+01 0.0000 67 Mg(HCO3)+ 0.39080E-05 -5.4080 0.20168E-05 -5.6953 0.51606E+00 -0.2873 68 MgCl+ 0.23901E-03 -3.6216 0.12335E-03 -3.9089 0.51606E+00 -0.2873 69 MgOH+ 0.17999E-06 -6.7447 0.92888E-07 -7.0320 0.51606E+00 -0.2873 70 NaCl,aq 0.93436E-01 -1.0295 0.93436E-01 -1.0295 0.10000E+01 0.0000 71 NaOH,aq 0.86782E-07 -7.0616 0.86782E-07 -7.0616 0.10000E+01 0.0000 73 OH- 0.62492E-06 -6.2042 0.28480E-06 -6.5455 0.45574E+00 -0.3413 76 PbCl+ 0.55953E-07 -7.2522 0.28875E-07 -7.5395 0.51606E+00 -0.2873 77 PbCl2,aq 0.21187E-06 -6.6739 0.21187E-06 -6.6739 0.10000E+01 0.0000 78 PbCl3- 0.11168E-06 -6.9520 0.54488E-07 -7.2637 0.48788E+00 -0.3117 79 PbCl4-2 0.57052E-07 -7.2437 0.29240E-08 -8.5340 0.51251E-01 -1.2903 80 PbO,aq 0.15891E-11 -11.7989 0.15891E-11 -11.7989 0.10000E+01 0.0000 81 HPbO2- 0.32369E-16 -16.4899 0.15792E-16 -16.8016 0.48788E+00 -0.3117 82 Pb(HS)2,aq 0.15492E-05 -5.8099 0.15492E-05 -5.8099 0.10000E+01 0.0000 83 Pb(HS)3- 0.57320E-08 -8.2417 0.27965E-08 -8.5534 0.48788E+00 -0.3117 84 H2S,aq 0.25669E-01 -1.5906 0.23301E-01 -1.6326 0.90775E+00 -0.0420 85 S2-2 0.26037E-10 -10.5844 0.13345E-11 -11.8747 0.51251E-01 -1.2903 86 S3-2 0.21939E-12 -12.6588 0.11244E-13 -13.9491 0.51251E-01 -1.2903 87 S3- 0.64425E-10 -10.1909 0.31432E-10 -10.5026 0.48788E+00 -0.3117 88 S4-2 0.13508E-14 -14.8694 0.69231E-16 -16.1597 0.51251E-01 -1.2903 89 S5-2 0.61758E-17 -17.2093 0.31652E-18 -18.4996 0.51251E-01 -1.2903 90 SO2,aq 0.16807E-11 -11.7745 0.16807E-11 -11.7745 0.10000E+01 0.0000 91 SO3-2 0.31267E-15 -15.5049 0.20561E-16 -16.6870 0.65759E-01 -1.1820 92 HSO3- 0.25309E-11 -11.5967 0.12348E-11 -11.9084 0.48788E+00 -0.3117 93 HSO4- 0.60647E-10 -10.2172 0.31793E-10 -10.4977 0.52423E+00 -0.2805 95 S2O3-2 0.64560E-13 -13.1900 0.33088E-14 -14.4803 0.51251E-01 -1.2903 96 HS2O3- 0.12853E-14 -14.8910 0.62709E-15 -15.2027 0.48788E+00 -0.3117 97 H2S2O3,aq 0.39394E-17 -17.4046 0.39394E-17 -17.4046 0.10000E+01 0.0000 107 ZnCl+ 0.22745E-05 -5.6431 0.11738E-05 -5.9304 0.51606E+00 -0.2873 108 ZnCl2,aq 0.43030E-06 -6.3662 0.43030E-06 -6.3662 0.10000E+01 0.0000 109 ZnCl3- 0.31285E-07 -7.5047 0.15263E-07 -7.8164 0.48788E+00 -0.3117 110 ZnO,aq 0.43579E-11 -11.3607 0.43579E-11 -11.3607 0.10000E+01 0.0000 111 ZnOH+ 0.17700E-07 -7.7520 0.91340E-08 -8.0393 0.51606E+00 -0.2873 113 HZnO2- 0.74753E-15 -15.1264 0.36470E-15 -15.4381 0.48788E+00 -0.3117 Charge balance for all species = 0.1436E-04 Component Molality Aq.molality ppm log[A(N)/A(H+)**Z] (total) 1 H+ 0.8290923E-04 0.1627764E+00 0.1566432E+03 -0.0000 2 H2O 0.1000000E+01 0.5537275E+02 0.9524081E+06 0.0000 3 Cl- 0.5499413E+00 0.6614527E+00 0.2238913E+05 3.8219 4 SO4-- 0.2031289E-09 -.1475611E-02 -.1353341E+03 -2.1780 5 HCO3- 0.3256670E-03 0.1389365E+00 0.8093832E+04 0.6115 6 HS- 0.1457677E-03 0.2729323E-01 0.8617890E+03 0.2471 7 H4SiO4 0.7097361E-02 0.7098583E-02 0.6514036E+03 -2.1489 8 Ca++ 0.1559950E-01 0.2985726E-01 0.1142461E+04 5.6537 9 Mg++ 0.6220040E-03 0.8651096E-03 0.2008063E+02 4.2090 10 Fe++ 0.2578712E-06 0.4067242E-06 0.2168629E-01 0.8380 11 K+ 0.7714431E-01 0.7998775E-01 0.2986125E+04 2.9912 12 Na+ 0.4270895E+00 0.5205262E+00 0.1142519E+05 3.7140 13 Zn++ 0.2415356E-08 0.2756205E-05 0.1720187E+00 -1.1904 14 Cu+ 0.2024146E-10 0.1654450E-06 0.1003659E-01 -6.6109 15 Pb++ 0.2950588E-08 0.1994465E-05 0.3945306E+00 -1.0428 Component Tot moles Aq. moles Solid moles Gas moles 1 H+ 0.1632321E+00 0.1632282E+00 0.3964376E-05 0.0000000E+00 2 H2O 0.5550825E+02 0.5552642E+02 -.1817010E-01 0.0000000E+00 3 Cl- 0.6632884E+00 0.6632884E+00 0.0000000E+00 0.0000000E+00 4 SO4-- -.1473305E-02 -.1479706E-02 0.6400979E-05 0.0000000E+00 5 HCO3- 0.1393221E+00 0.1393221E+00 0.0000000E+00 0.0000000E+00 6 HS- 0.2741622E-01 0.2736898E-01 0.4724345E-04 0.0000000E+00 7 H4SiO4 0.1619053E-01 0.7118283E-02 0.9072246E-02 0.0000000E+00 8 Ca++ 0.2994012E-01 0.2994012E-01 0.0000000E+00 0.0000000E+00 9 Mg++ 0.8675104E-03 0.8675104E-03 0.0000000E+00 0.0000000E+00 10 Fe++ 0.2604518E-04 0.4078529E-06 0.2563732E-04 0.0000000E+00 11 K+ 0.8020973E-01 0.8020973E-01 0.0000000E+00 0.0000000E+00 12 Na+ 0.5219708E+00 0.5219708E+00 0.0000000E+00 0.0000000E+00 13 Zn++ 0.5000000E-05 0.2763854E-05 0.2236146E-05 0.0000000E+00 14 Cu+ 0.5000000E-06 0.1659042E-06 0.3340958E-06 0.0000000E+00 15 Pb++ 0.2000000E-05 0.2000000E-05 0.0000000E+00 0.0000000E+00 Chg. balance for solid moles: -.3176E-20 Mass of aqueous solution: 0.105031E+04 g Temperature = 240.00 C Pressure = 500.00 bar Mixer frac. = 0.0000000 Log Log Vol Gas or mineral Moles Moles Grams Grams Wt.% (cm3) pyrite 0.2557E-04 -4.592 0.3068E-02 -2.513 0.5595 0.6121E-03 quartz 0.9072E-02 -2.042 0.5451 -0.264 99.39 0.2058 bornite 0.6682E-07 -7.175 0.3353E-04 -4.475 0.6114E-02 0.6596E-05 sphalerite 0.2236E-05 -5.650 0.2179E-03 -3.662 0.3973E-01 0.5328E-04 Partial press. Fugacity coef Log fugacity Gas or Mineral Mole fraction or activity Activity coef Log activity pyrite 0.1000E+01 0.1000E+01 1.0000 0.000 quartz 0.1000E+01 0.1000E+01 1.0000 0.000 bornite 0.1000E+01 0.1000E+01 1.0000 0.000 sphalerite 0.1000E+01 0.1000E+01 1.0000 0.000 Solid products produced: Mass = 0.548380 g Volume = 0.206511 cm3 WARNING: mineral volume may be in error because some mineral densities were not supplied in SOLTHERM. See mineral list in file Skip_Species.txt. Gas composition at saturation ( 4 iterations) ------------------------------------------------- Temperature: 240.0000 deg.C Sat. pressure: 75.2731 bar Gas Mole fraction phi Fugacity Partial P(bar) H2O,gas 0.6546E+00 0.7200 0.3548E+02 0.4928E+02 CO2,gas 0.3146E+00 0.9849 0.2332E+02 0.2368E+02 CH4,gas 0.1368E-01 1.1969 0.1233E+01 0.1030E+01 H2,gas 0.5072E-03 1.0294 0.3930E-01 0.3818E-01 H2S,gas 0.1655E-01 0.8954 0.1116E+01 0.1246E+01 S2,gas 0.1497E-11 1.0000 0.1127E-09 0.1127E-09 CO,gas 0.3196E-05 1.0000 0.2405E-03 0.2405E-03 SO3,gas 0.2704E-26 1.0000 0.2035E-24 0.2035E-24 O2,gas 0.3293E-07 1.0000 0.2479E-05 0.2479E-05 SO2,gas 0.3706E-12 1.0000 0.2790E-10 0.2790E-10 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 70 pyrite -19.03 -19.03 0.00 0.000 0.00000E+00 73 quartz -2.13 -2.13 0.00 0.000 0.00000E+00 98 bornite -67.77 -67.77 -0.00 -0.000 0.33368E-10 128 sphalerite -9.73 -9.73 -0.00 -0.000 0.41710E-11 118 galena -9.82 -9.58 0.24 0.080 -0.56021E+03 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 1.14 -0.01 -1.15 -1.149 0.26980E+04 1.550 2 CO2,gas -6.84 -8.17 -1.33 -0.444 0.31257E+04 1.368 3 CH4,gas 5.64 3.03 -2.61 -0.652 0.61240E+04 0.091 4 H2,gas 6.90 2.79 -4.10 -2.345 0.96378E+04 -1.406 5 H2S,gas -5.89 -8.54 -2.65 -1.326 0.62258E+04 0.048 6 S2,gas -10.02 -22.67 -12.65 -1.946 0.29697E+05 -9.948 7 CO,gas 0.95 -5.36 -6.32 -1.944 0.14835E+05 -3.619 8 SO3,gas 7.65 -19.74 -27.39 -6.848 0.64315E+05 -24.691 9 O2,gas 32.93 -5.61 -38.54 -25.690 0.90484E+05 -35.836 10 SO2,gas -3.69 -16.94 -13.25 -3.534 0.31120E+05 -10.554 11 HCl,gas 2.52 -4.96 -7.49 -3.744 0.17584E+05 -7.489 18 ankerite -5.12 -9.86 -4.74 -0.790 0.11129E+05 21 aragonite -0.70 -2.52 -1.82 -0.608 0.42836E+04 22 brucite 8.60 4.19 -4.41 -0.882 0.10352E+05 23 calcite -0.84 -2.52 -1.68 -0.562 0.39560E+04 28 coesite -1.67 -2.13 -0.46 -0.152 0.10739E+04 30 cristobalite -1.89 -2.13 -0.25 -0.082 0.57632E+03 34 diamond -1.87 -2.56 -0.69 -0.196 0.16109E+04 35 diopside 10.43 5.58 -4.85 -0.485 0.11377E+05 37 dolomite,ordered -3.06 -6.49 -3.43 -0.571 0.80446E+04 45 goethite 3.73 -0.58 -4.31 -0.931 0.10115E+05 46 graphite -2.25 -2.56 -0.31 -0.089 0.73498E+03 49 halite 1.17 -1.25 -2.42 -1.210 0.56814E+04 56 magnesite -1.56 -3.97 -2.41 -0.803 0.56549E+04 71 pyrrhotite -5.44 -7.70 -2.26 -0.753 0.53070E+04 72 pyrrhotiteFe0.875 -6.63 -8.15 -1.52 -0.559 0.35694E+04 78 siderite -4.00 -7.34 -3.34 -1.112 0.78348E+04 80 stishovite 2.22 -2.13 -4.35 -1.451 0.10223E+05 81 sulfur -8.51 -11.33 -2.82 -0.869 0.66280E+04 82 sylvite 1.26 -1.97 -3.24 -1.618 0.75969E+04 88 tridymite -1.91 -2.13 -0.22 -0.074 0.52212E+03 91 troilite-low -5.47 -7.70 -2.23 -0.743 0.52336E+04 95 walstromite 8.04 3.51 -4.53 -0.905 0.10627E+05 96 wollastonite 7.30 3.51 -3.79 -0.758 0.88964E+04 97 pseudo-wollastonite 7.63 3.51 -4.11 -0.823 0.96591E+04 100 chalcedony -2.00 -2.13 -0.14 -0.045 0.31887E+03 101 chalcocite -20.30 -21.76 -1.46 -0.366 0.34365E+04 102 covellite -15.22 -16.55 -1.33 -0.505 0.31137E+04 114 chalcopyrite -23.87 -24.25 -0.38 -0.071 0.90058E+03 115 copper,native -1.04 -5.21 -4.17 -1.451 0.97971E+04 116 dolomite,disordered -2.72 -6.49 -3.77 -0.628 0.88464E+04 117 ferrous-oxide 5.82 0.83 -4.99 -1.248 0.11720E+05 125 silica-amorphous -1.57 -2.13 -0.56 -0.186 0.13085E+04 129 wurtzite -8.40 -9.73 -1.33 -0.443 0.31219E+04 ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ Test file for CHIM-XPT. Japanese Geothermal Water. Cooling only. See running notes, below. CHIMRUN demo-1 ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ Number of loops used = 8 Loop limit = 470 Temperature = 240.00 C Pressure = 500.00 bar Mixer fraction = 0.0000000 Water: Moles liquid = 0.5566E+02 kg liquid = 0.1003E+01 Moles total = 0.5551E+02 kg total = 0.1000E+01 Activity = 0.9801 Stoichiometric ionic strength = .7744906E+00 Osmotic coef. = 0.8450 True ionic strength = .5666434E+00 Chg. balance for total moles = 0.1440E-04 Max. difference allowed = 0.6633E-04 Log Log Log Species(n) Molality Molality Activity Activity Gamma Gamma 1 H+ 0.82953E-04 -4.0812 0.40455E-04 -4.3930 0.48769E+00 -0.3119 2 H2O 0.98014E+00 -0.0087 0.98014E+00 -0.0087 3 Cl- 0.54994E+00 -0.2597 0.26831E+00 -0.5714 0.48788E+00 -0.3117 4 SO4-- 0.20292E-09 -9.6927 0.10841E-10 -10.9649 0.53424E-01 -1.2723 5 HCO3- 0.32550E-03 -3.4875 0.16520E-03 -3.7820 0.50754E+00 -0.2945 6 HS- 0.14569E-03 -3.8366 0.71392E-04 -4.1464 0.49001E+00 -0.3098 7 H4SiO4 0.70974E-02 -2.1489 0.70974E-02 -2.1489 0.10000E+01 0.0000 8 Ca++ 0.15600E-01 -1.8069 0.73660E-03 -3.1328 0.47219E-01 -1.3259 9 Mg++ 0.62201E-03 -3.2062 0.26452E-04 -4.5775 0.42527E-01 -1.3713 10 Fe++ 0.25813E-06 -6.5882 0.11271E-07 -7.9480 0.43665E-01 -1.3599 11 K+ 0.77144E-01 -1.1127 0.39622E-01 -1.4021 0.51360E+00 -0.2894 12 Na+ 0.42709E+00 -0.3695 0.20930E+00 -0.6792 0.49006E+00 -0.3098 13 Zn++ 0.24178E-08 -8.6166 0.10558E-09 -9.9764 0.43665E-01 -1.3599 14 Cu+ 0.20252E-10 -10.6935 0.99105E-11 -11.0039 0.48936E+00 -0.3104 15 Pb++ 0.17052E-08 -8.7682 0.85610E-10 -10.0675 0.50205E-01 -1.2993 16 HSiO3- 0.58733E-06 -6.2311 0.28655E-06 -6.5428 0.48788E+00 -0.3117 17 Ca(HSiO3)+ 0.13466E-06 -6.8708 0.69494E-07 -7.1581 0.51606E+00 -0.2873 18 Mg(HSiO3)+ 0.34750E-08 -8.4590 0.17933E-08 -8.7463 0.51606E+00 -0.2873 19 NaHSiO3,aq 0.49618E-06 -6.3044 0.49618E-06 -6.3044 0.10000E+01 0.0000 20 CH4,aq 0.14587E-02 -2.8360 0.13241E-02 -2.8781 0.90775E+00 -0.0420 21 C2H6,aq 0.38768E-08 -8.4115 0.35191E-08 -8.4536 0.90775E+00 -0.0420 22 C3H8,aq 0.55848E-13 -13.2530 0.50697E-13 -13.2950 0.90775E+00 -0.0420 23 C4H10,aq 0.76179E-18 -18.1182 0.69151E-18 -18.1602 0.90775E+00 -0.0420 24 ethanol,aq 0.13178E-12 -12.8802 0.11962E-12 -12.9222 0.90775E+00 -0.0420 25 CO,aq 0.39866E-06 -6.3994 0.39866E-06 -6.3994 0.10000E+01 0.0000 26 CO2,aq 0.13703E+00 -0.8632 0.12439E+00 -0.9052 0.90775E+00 -0.0420 27 CO3-2 0.27691E-08 -8.5577 0.14192E-09 -9.8480 0.51251E-01 -1.2903 28 CaCO3,aq 0.52601E-07 -7.2790 0.52601E-07 -7.2790 0.10000E+01 0.0000 29 Ca(HCO3)+ 0.11907E-03 -3.9242 0.61445E-04 -4.2115 0.51606E+00 -0.2873 30 CaCl+ 0.13302E-01 -1.8761 0.68647E-02 -2.1634 0.51606E+00 -0.2873 31 CaCl2,aq 0.83478E-03 -3.0784 0.83478E-03 -3.0784 0.10000E+01 0.0000 32 CaOH+ 0.15747E-05 -5.8028 0.81266E-06 -6.0901 0.51606E+00 -0.2873 33 CaSO4,aq 0.34192E-10 -10.4661 0.34192E-10 -10.4661 0.10000E+01 0.0000 34 HCl,aq 0.16410E-04 -4.7849 0.16410E-04 -4.7849 0.10000E+01 0.0000 38 Cu+2 0.20183E-16 -16.6950 0.91861E-18 -18.0369 0.45514E-01 -1.3419 39 CuCl+ 0.34446E-16 -16.4629 0.17776E-16 -16.7502 0.51606E+00 -0.2873 40 CuCl2,aq 0.47721E-17 -17.3213 0.47721E-17 -17.3213 0.10000E+01 0.0000 41 CuCl3- 0.75084E-19 -19.1245 0.36632E-19 -19.4361 0.48788E+00 -0.3117 43 CuCl,aq 0.14979E-07 -7.8245 0.14979E-07 -7.8245 0.10000E+01 0.0000 44 CuCl2- 0.14084E-06 -6.8513 0.68712E-07 -7.1630 0.48788E+00 -0.3117 45 CuCl3-2 0.96926E-08 -8.0136 0.49676E-09 -9.3039 0.51251E-01 -1.2903 46 CuO,aq 0.15580E-18 -18.8074 0.15580E-18 -18.8074 0.10000E+01 0.0000 47 CuOH+ 0.10394E-17 -17.9832 0.53640E-18 -18.2705 0.51606E+00 -0.2873 50 Fe+3 0.19954E-18 -18.7000 0.23277E-21 -21.6331 0.11665E-02 -2.9331 51 FeCl+ 0.13414E-06 -6.8725 0.69222E-07 -7.1598 0.51606E+00 -0.2873 52 FeCl2,aq 0.12975E-07 -7.8869 0.12975E-07 -7.8869 0.10000E+01 0.0000 53 FeCl+2 0.13589E-17 -17.8668 0.61847E-19 -19.2087 0.45514E-01 -1.3419 54 FeO,aq 0.47907E-11 -11.3196 0.47907E-11 -11.3196 0.10000E+01 0.0000 55 FeOH+ 0.18857E-08 -8.7245 0.97313E-09 -9.0118 0.51606E+00 -0.2873 56 HFeO2- 0.15508E-13 -13.8094 0.75662E-14 -14.1211 0.48788E+00 -0.3117 57 FeO+ 0.67810E-13 -13.1687 0.34994E-13 -13.4560 0.51606E+00 -0.2873 58 FeOH+2 0.71889E-15 -15.1433 0.32719E-16 -16.4852 0.45514E-01 -1.3419 59 FeO2- 0.95672E-14 -14.0192 0.46677E-14 -14.3309 0.48788E+00 -0.3117 60 HFeO2,aq 0.41323E-12 -12.3838 0.41323E-12 -12.3838 0.10000E+01 0.0000 61 H2,aq 0.67196E-04 -4.1727 0.60998E-04 -4.2147 0.90775E+00 -0.0420 62 KCl,aq 0.28434E-02 -2.5462 0.28434E-02 -2.5462 0.10000E+01 0.0000 63 KHSO4,aq 0.14368E-12 -12.8426 0.14368E-12 -12.8426 0.10000E+01 0.0000 64 KOH,aq 0.25050E-07 -7.6012 0.25050E-07 -7.6012 0.10000E+01 0.0000 65 KSO4- 0.12189E-09 -9.9140 0.59466E-10 -10.2257 0.48788E+00 -0.3117 66 MgCO3,aq 0.20373E-09 -9.6909 0.20373E-09 -9.6909 0.10000E+01 0.0000 67 Mg(HCO3)+ 0.39060E-05 -5.4083 0.20157E-05 -5.6956 0.51606E+00 -0.2873 68 MgCl+ 0.23901E-03 -3.6216 0.12335E-03 -3.9089 0.51606E+00 -0.2873 69 MgOH+ 0.17990E-06 -6.7450 0.92839E-07 -7.0323 0.51606E+00 -0.2873 70 NaCl,aq 0.93436E-01 -1.0295 0.93436E-01 -1.0295 0.10000E+01 0.0000 71 NaOH,aq 0.86737E-07 -7.0618 0.86737E-07 -7.0618 0.10000E+01 0.0000 73 OH- 0.62459E-06 -6.2044 0.28465E-06 -6.5457 0.45574E+00 -0.3413 76 PbCl+ 0.32336E-07 -7.4903 0.16688E-07 -7.7776 0.51606E+00 -0.2873 77 PbCl2,aq 0.12245E-06 -6.9121 0.12245E-06 -6.9121 0.10000E+01 0.0000 78 PbCl3- 0.64544E-07 -7.1901 0.31490E-07 -7.5018 0.48788E+00 -0.3117 79 PbCl4-2 0.32971E-07 -7.4819 0.16898E-08 -8.7722 0.51251E-01 -1.2903 80 PbO,aq 0.91738E-12 -12.0375 0.91738E-12 -12.0375 0.10000E+01 0.0000 81 HPbO2- 0.18677E-16 -16.7287 0.91122E-17 -17.0404 0.48788E+00 -0.3117 82 Pb(HS)2,aq 0.89442E-06 -6.0485 0.89442E-06 -6.0485 0.10000E+01 0.0000 83 Pb(HS)3- 0.33076E-08 -8.4805 0.16137E-08 -8.7922 0.48788E+00 -0.3117 84 H2S,aq 0.25669E-01 -1.5906 0.23301E-01 -1.6326 0.90775E+00 -0.0420 85 S2-2 0.26011E-10 -10.5848 0.13331E-11 -11.8751 0.51251E-01 -1.2903 86 S3-2 0.21917E-12 -12.6592 0.11233E-13 -13.9495 0.51251E-01 -1.2903 87 S3- 0.64396E-10 -10.1911 0.31417E-10 -10.5028 0.48788E+00 -0.3117 88 S4-2 0.13495E-14 -14.8698 0.69164E-16 -16.1601 0.51251E-01 -1.2903 89 S5-2 0.61700E-17 -17.2097 0.31622E-18 -18.5000 0.51251E-01 -1.2903 90 SO2,aq 0.16807E-11 -11.7745 0.16807E-11 -11.7745 0.10000E+01 0.0000 91 SO3-2 0.31235E-15 -15.5054 0.20540E-16 -16.6874 0.65759E-01 -1.1820 92 HSO3- 0.25297E-11 -11.5969 0.12342E-11 -11.9086 0.48788E+00 -0.3117 93 HSO4- 0.60616E-10 -10.2174 0.31777E-10 -10.4979 0.52423E+00 -0.2805 95 S2O3-2 0.64495E-13 -13.1905 0.33055E-14 -14.4808 0.51251E-01 -1.2903 96 HS2O3- 0.12847E-14 -14.8912 0.62679E-15 -15.2029 0.48788E+00 -0.3117 97 H2S2O3,aq 0.39396E-17 -17.4045 0.39396E-17 -17.4045 0.10000E+01 0.0000 107 ZnCl+ 0.22768E-05 -5.6427 0.11750E-05 -5.9300 0.51606E+00 -0.2873 108 ZnCl2,aq 0.43075E-06 -6.3658 0.43075E-06 -6.3658 0.10000E+01 0.0000 109 ZnCl3- 0.31317E-07 -7.5042 0.15279E-07 -7.8159 0.48788E+00 -0.3117 110 ZnO,aq 0.43578E-11 -11.3607 0.43578E-11 -11.3607 0.10000E+01 0.0000 111 ZnOH+ 0.17708E-07 -7.7518 0.91386E-08 -8.0391 0.51606E+00 -0.2873 113 HZnO2- 0.74712E-15 -15.1266 0.36451E-15 -15.4383 0.48788E+00 -0.3117 Charge balance for all species = 0.1436E-04 Component Molality Aq.molality ppm log[A(N)/A(H+)**Z] (total) 1 H+ 0.8295276E-04 0.1627773E+00 0.1566441E+03 0.0000 2 H2O 0.1000000E+01 0.5537275E+02 0.9524083E+06 0.0000 3 Cl- 0.5499416E+00 0.6614527E+00 0.2238914E+05 3.8217 4 SO4-- 0.2029205E-09 -.1475611E-02 -.1353341E+03 -2.1789 5 HCO3- 0.3254966E-03 0.1389365E+00 0.8093834E+04 0.6110 6 HS- 0.1456944E-03 0.2729239E-01 0.8617627E+03 0.2467 7 H4SiO4 0.7097361E-02 0.7098582E-02 0.6514036E+03 -2.1489 8 Ca++ 0.1559953E-01 0.2985726E-01 0.1142461E+04 5.6533 9 Mg++ 0.6220054E-03 0.8651096E-03 0.2008063E+02 4.2085 10 Fe++ 0.2581309E-06 0.4071328E-06 0.2170809E-01 0.8380 11 K+ 0.7714430E-01 0.7998775E-01 0.2986125E+04 2.9910 12 Na+ 0.4270894E+00 0.5205262E+00 0.1142519E+05 3.7138 13 Zn++ 0.2417841E-08 0.2759034E-05 0.1721952E+00 -1.1904 14 Cu+ 0.2025192E-10 0.1655307E-06 0.1004179E-01 -6.6109 15 Pb++ 0.1705196E-08 0.1151730E-05 0.2278269E+00 -1.2814 Component Tot moles Aq. moles Solid moles Gas moles 1 H+ 0.1632321E+00 0.1632290E+00 0.3122090E-05 0.0000000E+00 2 H2O 0.5550825E+02 0.5552642E+02 -.1817010E-01 0.0000000E+00 3 Cl- 0.6632884E+00 0.6632884E+00 0.0000000E+00 0.0000000E+00 4 SO4-- -.1473305E-02 -.1479706E-02 0.6400879E-05 0.0000000E+00 5 HCO3- 0.1393221E+00 0.1393221E+00 0.0000000E+00 0.0000000E+00 6 HS- 0.2741622E-01 0.2736814E-01 0.4808494E-04 0.0000000E+00 7 H4SiO4 0.1619053E-01 0.7118283E-02 0.9072246E-02 0.0000000E+00 8 Ca++ 0.2994012E-01 0.2994012E-01 0.0000000E+00 0.0000000E+00 9 Mg++ 0.8675104E-03 0.8675104E-03 0.0000000E+00 0.0000000E+00 10 Fe++ 0.2604518E-04 0.4082627E-06 0.2563692E-04 0.0000000E+00 11 K+ 0.8020973E-01 0.8020973E-01 0.0000000E+00 0.0000000E+00 12 Na+ 0.5219708E+00 0.5219708E+00 0.0000000E+00 0.0000000E+00 13 Zn++ 0.5000000E-05 0.2766691E-05 0.2233309E-05 0.0000000E+00 14 Cu+ 0.5000000E-06 0.1659900E-06 0.3340100E-06 0.0000000E+00 15 Pb++ 0.2000000E-05 0.1154926E-05 0.8450738E-06 0.0000000E+00 Chg. balance for solid moles: 0.2118E-20 Mass of aqueous solution: 0.105031E+04 g Temperature = 240.00 C Pressure = 500.00 bar Mixer frac. = 0.0000000 Log Log Vol Gas or mineral Moles Moles Grams Grams Wt.% (cm3) pyrite 0.2557E-04 -4.592 0.3068E-02 -2.513 0.5592 0.6121E-03 quartz 0.9072E-02 -2.042 0.5451 -0.264 99.36 0.2058 bornite 0.6680E-07 -7.175 0.3352E-04 -4.475 0.6111E-02 0.6595E-05 sphalerite 0.2233E-05 -5.651 0.2176E-03 -3.662 0.3966E-01 0.5321E-04 galena 0.8451E-06 -6.073 0.2022E-03 -3.694 0.3686E-01 0.2661E-04 Partial press. Fugacity coef Log fugacity Gas or Mineral Mole fraction or activity Activity coef Log activity pyrite 0.1000E+01 0.1000E+01 1.0000 0.000 quartz 0.1000E+01 0.1000E+01 1.0000 0.000 bornite 0.1000E+01 0.1000E+01 1.0000 0.000 sphalerite 0.1000E+01 0.1000E+01 1.0000 0.000 galena 0.1000E+01 0.1000E+01 1.0000 0.000 Solid products produced: Mass = 0.548582 g Volume = 0.206537 cm3 WARNING: mineral volume may be in error because some mineral densities were not supplied in SOLTHERM. See mineral list in file Skip_Species.txt. Gas composition at saturation ( 4 iterations) ------------------------------------------------- Temperature: 240.0000 deg.C Sat. pressure: 75.2732 bar Gas Mole fraction phi Fugacity Partial P(bar) H2O,gas 0.6546E+00 0.7200 0.3548E+02 0.4928E+02 CO2,gas 0.3146E+00 0.9849 0.2332E+02 0.2368E+02 CH4,gas 0.1368E-01 1.1969 0.1233E+01 0.1030E+01 H2,gas 0.5072E-03 1.0294 0.3930E-01 0.3818E-01 H2S,gas 0.1655E-01 0.8954 0.1116E+01 0.1246E+01 S2,gas 0.1497E-11 1.0000 0.1127E-09 0.1127E-09 CO,gas 0.3196E-05 1.0000 0.2405E-03 0.2405E-03 SO3,gas 0.2704E-26 1.0000 0.2035E-24 0.2035E-24 O2,gas 0.3293E-07 1.0000 0.2479E-05 0.2479E-05 SO2,gas 0.3706E-12 1.0000 0.2790E-10 0.2790E-10 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 70 pyrite -19.03 -19.03 -0.00 -0.000 0.83421E-11 73 quartz -2.13 -2.13 0.00 0.000 0.00000E+00 98 bornite -67.77 -67.77 0.00 0.000 0.00000E+00 118 galena -9.82 -9.82 -0.00 -0.000 0.41710E-11 128 sphalerite -9.73 -9.73 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 1.14 -0.01 -1.15 -1.149 0.26980E+04 1.550 2 CO2,gas -6.84 -8.17 -1.33 -0.444 0.31257E+04 1.368 3 CH4,gas 5.64 3.03 -2.61 -0.652 0.61240E+04 0.091 4 H2,gas 6.90 2.79 -4.10 -2.345 0.96378E+04 -1.406 5 H2S,gas -5.89 -8.54 -2.65 -1.326 0.62258E+04 0.048 6 S2,gas -10.02 -22.67 -12.65 -1.946 0.29696E+05 -9.948 7 CO,gas 0.95 -5.36 -6.32 -1.944 0.14835E+05 -3.619 8 SO3,gas 7.65 -19.74 -27.39 -6.848 0.64315E+05 -24.691 9 O2,gas 32.93 -5.61 -38.54 -25.690 0.90484E+05 -35.836 10 SO2,gas -3.69 -16.94 -13.25 -3.534 0.31120E+05 -10.554 11 HCl,gas 2.52 -4.96 -7.49 -3.744 0.17583E+05 -7.488 18 ankerite -5.12 -9.86 -4.74 -0.790 0.11130E+05 21 aragonite -0.70 -2.52 -1.82 -0.608 0.42847E+04 22 brucite 8.60 4.19 -4.41 -0.882 0.10354E+05 23 calcite -0.84 -2.52 -1.69 -0.562 0.39571E+04 28 coesite -1.67 -2.13 -0.46 -0.152 0.10739E+04 30 cristobalite -1.89 -2.13 -0.25 -0.082 0.57632E+03 34 diamond -1.87 -2.56 -0.69 -0.196 0.16109E+04 35 diopside 10.43 5.58 -4.85 -0.485 0.11379E+05 37 dolomite,ordered -3.06 -6.49 -3.43 -0.571 0.80467E+04 45 goethite 3.73 -0.58 -4.31 -0.931 0.10115E+05 46 graphite -2.25 -2.56 -0.31 -0.089 0.73498E+03 49 halite 1.17 -1.25 -2.42 -1.210 0.56814E+04 56 magnesite -1.56 -3.97 -2.41 -0.803 0.56559E+04 71 pyrrhotite -5.44 -7.70 -2.26 -0.753 0.53070E+04 72 pyrrhotiteFe0.875 -6.63 -8.15 -1.52 -0.559 0.35694E+04 78 siderite -4.00 -7.34 -3.34 -1.112 0.78349E+04 80 stishovite 2.22 -2.13 -4.35 -1.451 0.10223E+05 81 sulfur -8.51 -11.33 -2.82 -0.869 0.66279E+04 82 sylvite 1.26 -1.97 -3.24 -1.618 0.75969E+04 88 tridymite -1.91 -2.13 -0.22 -0.074 0.52212E+03 91 troilite-low -5.47 -7.70 -2.23 -0.743 0.52336E+04 95 walstromite 8.04 3.51 -4.53 -0.905 0.10628E+05 96 wollastonite 7.30 3.51 -3.79 -0.758 0.88974E+04 97 pseudo-wollastonite 7.63 3.51 -4.11 -0.823 0.96602E+04 100 chalcedony -2.00 -2.13 -0.14 -0.045 0.31887E+03 101 chalcocite -20.30 -21.76 -1.46 -0.366 0.34365E+04 102 covellite -15.22 -16.55 -1.33 -0.505 0.31137E+04 114 chalcopyrite -23.87 -24.25 -0.38 -0.071 0.90058E+03 115 copper,native -1.04 -5.21 -4.17 -1.451 0.97971E+04 116 dolomite,disordered -2.72 -6.49 -3.77 -0.628 0.88485E+04 117 ferrous-oxide 5.82 0.83 -4.99 -1.248 0.11720E+05 125 silica-amorphous -1.57 -2.13 -0.56 -0.186 0.13085E+04 129 wurtzite -8.40 -9.73 -1.33 -0.443 0.31219E+04 Calculations done for 240.0000 Deg. C; 500.0000 bar Temperature changed by -5.000 degrees to 235.000 degrees C. Solids and gases carried ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ Test file for CHIM-XPT. Japanese Geothermal Water. Cooling only. See running notes, below. CHIMRUN demo-1 ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ Number of loops used = 11 Loop limit = 470 Temperature = 235.00 C Pressure = 500.00 bar Mixer fraction = 0.0000000 Water: Moles liquid = 0.5566E+02 kg liquid = 0.1003E+01 Moles total = 0.5551E+02 kg total = 0.1000E+01 Activity = 0.9800 Stoichiometric ionic strength = .7744800E+00 Osmotic coef. = 0.8494 True ionic strength = .5714173E+00 Chg. balance for total moles = 0.1440E-04 Max. difference allowed = 0.6633E-04 Log Log Log Species(n) Molality Molality Activity Activity Gamma Gamma 1 H+ 0.89407E-04 -4.0486 0.44097E-04 -4.3556 0.49322E+00 -0.3070 2 H2O 0.98004E+00 -0.0088 0.98004E+00 -0.0088 3 Cl- 0.55409E+00 -0.2564 0.27364E+00 -0.5628 0.49385E+00 -0.3064 4 SO4-- 0.19947E-09 -9.7001 0.11100E-10 -10.9547 0.55649E-01 -1.2545 5 HCO3- 0.33586E-03 -3.4738 0.17234E-03 -3.7636 0.51313E+00 -0.2898 6 HS- 0.14404E-03 -3.8415 0.71437E-04 -4.1461 0.49594E+00 -0.3046 7 H4SiO4 0.67547E-02 -2.1704 0.67547E-02 -2.1704 0.10000E+01 0.0000 8 Ca++ 0.16204E-01 -1.7904 0.79915E-03 -3.0974 0.49317E-01 -1.3070 9 Mg++ 0.63199E-03 -3.1993 0.28154E-04 -4.5505 0.44549E-01 -1.3512 10 Fe++ 0.23461E-06 -6.6297 0.10723E-07 -7.9697 0.45706E-01 -1.3400 11 K+ 0.77338E-01 -1.1116 0.40139E-01 -1.3964 0.51901E+00 -0.2848 12 Na+ 0.43038E+00 -0.3662 0.21342E+00 -0.6708 0.49589E+00 -0.3046 13 Zn++ 0.25666E-08 -8.5906 0.11731E-09 -9.9307 0.45706E-01 -1.3400 14 Cu+ 0.17162E-10 -10.7654 0.84988E-11 -11.0706 0.49521E+00 -0.3052 15 Pb++ 0.16443E-08 -8.7840 0.86077E-10 -10.0651 0.52349E-01 -1.2811 16 HSiO3- 0.52834E-06 -6.2771 0.26092E-06 -6.5835 0.49385E+00 -0.3064 17 Ca(HSiO3)+ 0.11665E-06 -6.9331 0.60822E-07 -7.2159 0.52142E+00 -0.2828 18 Mg(HSiO3)+ 0.30066E-08 -8.5219 0.15677E-08 -8.8047 0.52142E+00 -0.2828 19 NaHSiO3,aq 0.45376E-06 -6.3432 0.45376E-06 -6.3432 0.10000E+01 0.0000 20 CH4,aq 0.14615E-02 -2.8352 0.13251E-02 -2.8777 0.90670E+00 -0.0425 21 C2H6,aq 0.39258E-08 -8.4061 0.35595E-08 -8.4486 0.90670E+00 -0.0425 22 C3H8,aq 0.59579E-13 -13.2249 0.54021E-13 -13.2674 0.90670E+00 -0.0425 23 C4H10,aq 0.85891E-18 -18.0661 0.77878E-18 -18.1086 0.90670E+00 -0.0425 24 ethanol,aq 0.12710E-12 -12.8958 0.11525E-12 -12.9384 0.90670E+00 -0.0425 25 CO,aq 0.33052E-06 -6.4808 0.33052E-06 -6.4808 0.10000E+01 0.0000 26 CO2,aq 0.13702E+00 -0.8632 0.12423E+00 -0.9058 0.90670E+00 -0.0425 27 CO3-2 0.27674E-08 -8.5579 0.14790E-09 -9.8300 0.53446E-01 -1.2721 28 CaCO3,aq 0.50342E-07 -7.2981 0.50342E-07 -7.2981 0.10000E+01 0.0000 29 Ca(HCO3)+ 0.11675E-03 -3.9327 0.60878E-04 -4.2155 0.52142E+00 -0.2828 30 CaCl+ 0.12758E-01 -1.8942 0.66523E-02 -2.1770 0.52142E+00 -0.2828 31 CaCl2,aq 0.77637E-03 -3.1099 0.77637E-03 -3.1099 0.10000E+01 0.0000 32 CaOH+ 0.13063E-05 -5.8840 0.68112E-06 -6.1668 0.52142E+00 -0.2828 33 CaSO4,aq 0.33297E-10 -10.4776 0.33297E-10 -10.4776 0.10000E+01 0.0000 34 HCl,aq 0.16448E-04 -4.7839 0.16448E-04 -4.7839 0.10000E+01 0.0000 38 Cu+2 0.20087E-16 -16.6971 0.95584E-18 -18.0196 0.47584E-01 -1.3225 39 CuCl+ 0.32096E-16 -16.4935 0.16736E-16 -16.7764 0.52142E+00 -0.2828 40 CuCl2,aq 0.41216E-17 -17.3849 0.41216E-17 -17.3849 0.10000E+01 0.0000 41 CuCl3- 0.62830E-19 -19.2018 0.31029E-19 -19.5082 0.49385E+00 -0.3064 43 CuCl,aq 0.12750E-07 -7.8945 0.12750E-07 -7.8945 0.10000E+01 0.0000 44 CuCl2- 0.12001E-06 -6.9208 0.59265E-07 -7.2272 0.49385E+00 -0.3064 45 CuCl3-2 0.83205E-08 -8.0798 0.44470E-09 -9.3519 0.53446E-01 -1.2721 46 CuO,aq 0.11811E-18 -18.9277 0.11811E-18 -18.9277 0.10000E+01 0.0000 47 CuOH+ 0.88771E-18 -18.0517 0.46287E-18 -18.3345 0.52142E+00 -0.2828 50 Fe+3 0.18647E-18 -18.7294 0.23915E-21 -21.6213 0.12825E-02 -2.8919 51 FeCl+ 0.11412E-06 -6.9427 0.59503E-07 -7.2255 0.52142E+00 -0.2828 52 FeCl2,aq 0.83784E-08 -8.0768 0.83784E-08 -8.0768 0.10000E+01 0.0000 53 FeCl+2 0.12149E-17 -17.9155 0.57810E-19 -19.2380 0.47584E-01 -1.3225 54 FeO,aq 0.29691E-11 -11.5274 0.29691E-11 -11.5274 0.10000E+01 0.0000 55 FeOH+ 0.14416E-08 -8.8412 0.75168E-09 -9.1240 0.52142E+00 -0.2828 56 HFeO2- 0.85392E-14 -14.0686 0.42171E-14 -14.3750 0.49385E+00 -0.3064 57 FeO+ 0.51147E-13 -13.2912 0.26669E-13 -13.5740 0.52142E+00 -0.2828 58 FeOH+2 0.59264E-15 -15.2272 0.28201E-16 -16.5497 0.47584E-01 -1.3225 59 FeO2- 0.51309E-14 -14.2898 0.25339E-14 -14.5962 0.49385E+00 -0.3064 60 HFeO2,aq 0.26910E-12 -12.5701 0.26910E-12 -12.5701 0.10000E+01 0.0000 61 H2,aq 0.56123E-04 -4.2509 0.50887E-04 -4.2934 0.90670E+00 -0.0425 62 KCl,aq 0.26487E-02 -2.5770 0.26487E-02 -2.5770 0.10000E+01 0.0000 63 KHSO4,aq 0.11994E-12 -12.9210 0.11994E-12 -12.9210 0.10000E+01 0.0000 64 KOH,aq 0.21417E-07 -7.6692 0.21417E-07 -7.6692 0.10000E+01 0.0000 65 KSO4- 0.11329E-09 -9.9458 0.55948E-10 -10.2522 0.49385E+00 -0.3064 66 MgCO3,aq 0.19601E-09 -9.7077 0.19601E-09 -9.7077 0.10000E+01 0.0000 67 Mg(HCO3)+ 0.37819E-05 -5.4223 0.19720E-05 -5.7051 0.52142E+00 -0.2828 68 MgCl+ 0.22918E-03 -3.6398 0.11950E-03 -3.9226 0.52142E+00 -0.2828 69 MgOH+ 0.14762E-06 -6.8309 0.76973E-07 -7.1137 0.52142E+00 -0.2828 70 NaCl,aq 0.90144E-01 -1.0451 0.90144E-01 -1.0451 0.10000E+01 0.0000 71 NaOH,aq 0.75403E-07 -7.1226 0.75403E-07 -7.1226 0.10000E+01 0.0000 73 OH- 0.54776E-06 -6.2614 0.25330E-06 -6.5964 0.46243E+00 -0.3350 76 PbCl+ 0.29330E-07 -7.5327 0.15293E-07 -7.8155 0.52142E+00 -0.2828 77 PbCl2,aq 0.10651E-06 -6.9726 0.10651E-06 -6.9726 0.10000E+01 0.0000 78 PbCl3- 0.54725E-07 -7.2618 0.27026E-07 -7.5682 0.49385E+00 -0.3064 79 PbCl4-2 0.27816E-07 -7.5557 0.14867E-08 -8.8278 0.53446E-01 -1.2721 80 PbO,aq 0.65976E-12 -12.1806 0.65976E-12 -12.1806 0.10000E+01 0.0000 81 HPbO2- 0.12325E-16 -16.9092 0.60867E-17 -17.2156 0.49385E+00 -0.3064 82 Pb(HS)2,aq 0.84383E-06 -6.0737 0.84383E-06 -6.0737 0.10000E+01 0.0000 83 Pb(HS)3- 0.29432E-08 -8.5312 0.14535E-08 -8.8376 0.49385E+00 -0.3064 84 H2S,aq 0.25670E-01 -1.5906 0.23275E-01 -1.6331 0.90670E+00 -0.0425 85 S2-2 0.24502E-10 -10.6108 0.13096E-11 -11.8829 0.53446E-01 -1.2721 86 S3-2 0.22912E-12 -12.6399 0.12245E-13 -13.9120 0.53446E-01 -1.2721 87 S3- 0.63043E-10 -10.2004 0.31134E-10 -10.5068 0.49385E+00 -0.3064 88 S4-2 0.15627E-14 -14.8061 0.83517E-16 -16.0782 0.53446E-01 -1.2721 89 S5-2 0.78921E-17 -17.1028 0.42180E-18 -18.3749 0.53446E-01 -1.2721 90 SO2,aq 0.13281E-11 -11.8768 0.13281E-11 -11.8768 0.10000E+01 0.0000 91 SO3-2 0.27539E-15 -15.5601 0.18768E-16 -16.7266 0.68152E-01 -1.1665 92 HSO3- 0.21421E-11 -11.6692 0.10579E-11 -11.9756 0.49385E+00 -0.3064 93 HSO4- 0.56538E-10 -10.2477 0.29938E-10 -10.5238 0.52953E+00 -0.2761 95 S2O3-2 0.63997E-13 -13.1938 0.34204E-14 -14.4659 0.53446E-01 -1.2721 96 HS2O3- 0.12549E-14 -14.9014 0.61973E-15 -15.2078 0.49385E+00 -0.3064 97 H2S2O3,aq 0.38688E-17 -17.4124 0.38688E-17 -17.4124 0.10000E+01 0.0000 107 ZnCl+ 0.20652E-05 -5.6850 0.10768E-05 -5.9679 0.52142E+00 -0.2828 108 ZnCl2,aq 0.37887E-06 -6.4215 0.37887E-06 -6.4215 0.10000E+01 0.0000 109 ZnCl3- 0.27334E-07 -7.5633 0.13499E-07 -7.8697 0.49385E+00 -0.3064 110 ZnO,aq 0.32442E-11 -11.4889 0.32442E-11 -11.4889 0.10000E+01 0.0000 111 ZnOH+ 0.15079E-07 -7.8216 0.78625E-08 -8.1044 0.52142E+00 -0.2828 113 HZnO2- 0.49484E-15 -15.3055 0.24438E-15 -15.6119 0.49385E+00 -0.3064 Charge balance for all species = 0.1436E-04 Component Molality Aq.molality ppm log[A(N)/A(H+)**Z] (total) 1 H+ 0.8940691E-04 0.1627756E+00 0.1566475E+03 0.0000 2 H2O 0.1000000E+01 0.5537275E+02 0.9524388E+06 0.0000 3 Cl- 0.5540922E+00 0.6614446E+00 0.2238958E+05 3.7928 4 SO4-- 0.1994716E-09 -.1475604E-02 -.1353378E+03 -2.2435 5 HCO3- 0.3358614E-03 0.1389348E+00 0.8093993E+04 0.5920 6 HS- 0.1440430E-03 0.2729161E-01 0.8617654E+03 0.2095 7 H4SiO4 0.6754707E-02 0.6755809E-02 0.6199688E+03 -2.1704 8 Ca++ 0.1620439E-01 0.2985689E-01 0.1142484E+04 5.6138 9 Mg++ 0.6319860E-03 0.8650989E-03 0.2008103E+02 4.1607 10 Fe++ 0.2346083E-06 0.3585481E-06 0.1911819E-01 0.7415 11 K+ 0.7733806E-01 0.7998676E-01 0.2986184E+04 2.9592 12 Na+ 0.4303757E+00 0.5205198E+00 0.1142541E+05 3.6848 13 Zn++ 0.2566557E-08 0.2489022E-05 0.1553484E+00 -1.2195 14 Cu+ 0.1716215E-10 0.1410933E-06 0.8559592E-02 -6.7151 15 Pb++ 0.1644283E-08 0.1066803E-05 0.2110341E+00 -1.3539 Component Tot moles Aq. moles Solid moles Gas moles 1 H+ 0.1632321E+00 0.1632294E+00 0.2763074E-05 0.0000000E+00 2 H2O 0.5550825E+02 0.5552711E+02 -.1885742E-01 0.0000000E+00 3 Cl- 0.6632884E+00 0.6632884E+00 0.0000000E+00 0.0000000E+00 4 SO4-- -.1473305E-02 -.1479718E-02 0.6412445E-05 0.0000000E+00 5 HCO3- 0.1393221E+00 0.1393221E+00 0.0000000E+00 0.0000000E+00 6 HS- 0.2741622E-01 0.2736769E-01 0.4853648E-04 0.0000000E+00 7 H4SiO4 0.1619053E-01 0.6774642E-02 0.9415887E-02 0.0000000E+00 8 Ca++ 0.2994012E-01 0.2994012E-01 0.0000000E+00 0.0000000E+00 9 Mg++ 0.8675104E-03 0.8675104E-03 0.0000000E+00 0.0000000E+00 10 Fe++ 0.2604518E-04 0.3595476E-06 0.2568563E-04 0.0000000E+00 11 K+ 0.8020973E-01 0.8020973E-01 0.0000000E+00 0.0000000E+00 12 Na+ 0.5219708E+00 0.5219708E+00 0.0000000E+00 0.0000000E+00 13 Zn++ 0.5000000E-05 0.2495960E-05 0.2504040E-05 0.0000000E+00 14 Cu+ 0.5000000E-06 0.1414866E-06 0.3585134E-06 0.0000000E+00 15 Pb++ 0.2000000E-05 0.1069777E-05 0.9302231E-06 0.0000000E+00 Chg. balance for solid moles: 0.1482E-20 Mass of aqueous solution: 0.105029E+04 g Temperature = 235.00 C Pressure = 500.00 bar Mixer frac. = 0.0000000 Log Log Vol Gas or mineral Moles Moles Grams Grams Wt.% (cm3) pyrite 0.2561E-04 -4.592 0.3073E-02 -2.512 0.5398 0.6132E-03 quartz 0.9416E-02 -2.026 0.5657 -0.247 99.37 0.2136 bornite 0.7170E-07 -7.144 0.3598E-04 -4.444 0.6320E-02 0.7079E-05 galena 0.9302E-06 -6.031 0.2226E-03 -3.653 0.3909E-01 0.2929E-04 sphalerite 0.2504E-05 -5.601 0.2440E-03 -3.613 0.4286E-01 0.5966E-04 Partial press. Fugacity coef Log fugacity Gas or Mineral Mole fraction or activity Activity coef Log activity pyrite 0.1000E+01 0.1000E+01 1.0000 0.000 quartz 0.1000E+01 0.1000E+01 1.0000 0.000 bornite 0.1000E+01 0.1000E+01 1.0000 0.000 galena 0.1000E+01 0.1000E+01 1.0000 0.000 sphalerite 0.1000E+01 0.1000E+01 1.0000 0.000 Solid products produced: Mass = 0.569282 g Volume = 0.214345 cm3 WARNING: mineral volume may be in error because some mineral densities were not supplied in SOLTHERM. See mineral list in file Skip_Species.txt. Gas composition at saturation ( 4 iterations) ------------------------------------------------- Temperature: 235.0000 deg.C Sat. pressure: 71.9971 bar Gas Mole fraction phi Fugacity Partial P(bar) H2O,gas 0.6277E+00 0.7249 0.3276E+02 0.4519E+02 CO2,gas 0.3388E+00 0.9817 0.2395E+02 0.2439E+02 CH4,gas 0.1537E-01 1.1838 0.1310E+01 0.1107E+01 H2,gas 0.4650E-03 1.0284 0.3443E-01 0.3348E-01 H2S,gas 0.1762E-01 0.8965 0.1137E+01 0.1269E+01 S2,gas 0.1420E-11 1.0000 0.1022E-09 0.1022E-09 CO,gas 0.2970E-05 1.0000 0.2138E-03 0.2138E-03 SO3,gas 0.1687E-26 1.0000 0.1214E-24 0.1214E-24 O2,gas 0.1459E-40 1.0000 0.1050E-38 0.1050E-38 SO2,gas 0.3065E-12 1.0000 0.2207E-10 0.2207E-10 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 70 pyrite -19.04 -19.04 0.00 0.000 -0.82608E-11 73 quartz -2.15 -2.15 0.00 0.000 0.00000E+00 98 bornite -68.23 -68.23 0.00 0.000 -0.33043E-10 118 galena -9.86 -9.86 0.00 0.000 0.00000E+00 128 sphalerite -9.72 -9.72 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 1.17 -0.01 -1.18 -1.184 0.27522E+04 1.515 2 CO2,gas -6.79 -8.11 -1.32 -0.440 0.30686E+04 1.379 3 CH4,gas 5.62 3.04 -2.58 -0.645 0.60027E+04 0.117 4 H2,gas 6.94 2.78 -4.16 -2.378 0.96776E+04 -1.463 5 H2S,gas -5.86 -8.50 -2.64 -1.322 0.61458E+04 0.056 6 S2,gas -9.88 -22.57 -12.69 -1.952 0.29506E+05 -9.990 7 CO,gas 1.05 -5.32 -6.37 -1.960 0.14809E+05 -3.670 8 SO3,gas 7.96 -19.66 -27.61 -6.904 0.64210E+05 -24.916 9 O2,gas 36.10 -5.58 -41.68 -27.785 0.96909E+05 -38.979 10 SO2,gas -3.51 -16.87 -13.36 -3.561 0.31054E+05 -10.656 11 HCl,gas -0.07 -4.92 -4.85 -2.426 0.11281E+05 -4.851 18 ankerite -4.99 -9.88 -4.89 -0.815 0.11367E+05 21 aragonite -0.63 -2.51 -1.88 -0.625 0.43598E+04 22 brucite 8.71 4.14 -4.56 -0.913 0.10609E+05 23 calcite -0.77 -2.51 -1.74 -0.578 0.40350E+04 28 coesite -1.69 -2.15 -0.46 -0.154 0.10723E+04 30 cristobalite -1.90 -2.15 -0.25 -0.084 0.58326E+03 34 diamond -1.90 -2.53 -0.63 -0.179 0.14591E+04 37 dolomite,ordered -2.92 -6.46 -3.54 -0.590 0.82344E+04 45 goethite 3.81 -0.67 -4.48 -0.968 0.10407E+05 46 graphite -2.28 -2.53 -0.25 -0.072 0.58892E+03 49 halite 1.19 -1.23 -2.43 -1.214 0.56455E+04 56 magnesite -1.48 -3.96 -2.48 -0.827 0.57677E+04 71 pyrrhotite -5.38 -7.76 -2.38 -0.792 0.55228E+04 72 pyrrhotiteFe0.875 -6.59 -8.20 -1.61 -0.591 0.37366E+04 78 siderite -3.94 -7.38 -3.44 -1.146 0.79909E+04 80 stishovite 2.24 -2.15 -4.39 -1.463 0.10203E+05 81 sulfur -8.50 -11.28 -2.78 -0.856 0.64684E+04 82 sylvite 1.28 -1.96 -3.24 -1.620 0.75350E+04 88 tridymite -1.93 -2.15 -0.23 -0.076 0.52819E+03 91 troilite-low -5.42 -7.76 -2.34 -0.780 0.54426E+04 95 walstromite 8.14 3.45 -4.69 -0.937 0.10894E+05 96 wollastonite 7.39 3.45 -3.94 -0.788 0.91617E+04 97 pseudo-wollastonite 7.72 3.45 -4.27 -0.854 0.99300E+04 100 chalcedony -2.02 -2.15 -0.14 -0.046 0.31902E+03 101 chalcocite -20.48 -21.93 -1.45 -0.363 0.33798E+04 102 covellite -15.32 -16.61 -1.28 -0.489 0.29860E+04 114 chalcopyrite -23.94 -24.37 -0.43 -0.079 0.99023E+03 115 copper,native -1.10 -5.32 -4.23 -1.470 0.98266E+04 116 dolomite,disordered -2.57 -6.46 -3.89 -0.649 0.90507E+04 125 silica-amorphous -1.58 -2.15 -0.57 -0.189 0.13218E+04 129 wurtzite -8.38 -9.72 -1.34 -0.448 0.31222E+04 Calculations done for 235.0000 Deg. C; 500.0000 bar Temperature changed by -5.000 degrees to 230.000 degrees C. Solids and gases carried ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ Test file for CHIM-XPT. Japanese Geothermal Water. Cooling only. See running notes, below. CHIMRUN demo-1 ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ Number of loops used = 11 Loop limit = 470 Temperature = 230.00 C Pressure = 500.00 bar Mixer fraction = 0.0000000 Water: Moles liquid = 0.5566E+02 kg liquid = 0.1003E+01 Moles total = 0.5551E+02 kg total = 0.1000E+01 Activity = 0.9799 Stoichiometric ionic strength = .7744697E+00 Osmotic coef. = 0.8537 True ionic strength = .5760178E+00 Chg. balance for total moles = 0.1440E-04 Max. difference allowed = 0.6633E-04 Log Log Log Species(n) Molality Molality Activity Activity Gamma Gamma 1 H+ 0.96158E-04 -4.0170 0.47963E-04 -4.3191 0.49880E+00 -0.3021 2 H2O 0.97994E+00 -0.0088 0.97994E+00 -0.0088 3 Cl- 0.55808E+00 -0.2533 0.27893E+00 -0.5545 0.49980E+00 -0.3012 4 SO4-- 0.19616E-09 -9.7074 0.11368E-10 -10.9443 0.57950E-01 -1.2369 5 HCO3- 0.34658E-03 -3.4602 0.17976E-03 -3.7453 0.51868E+00 -0.2851 6 HS- 0.14234E-03 -3.8467 0.71432E-04 -4.1461 0.50185E+00 -0.2994 7 H4SiO4 0.64221E-02 -2.1923 0.64221E-02 -2.1923 0.10000E+01 0.0000 8 Ca++ 0.16797E-01 -1.7748 0.86493E-03 -3.0630 0.51493E-01 -1.2882 9 Mg++ 0.64152E-03 -3.1928 0.29931E-04 -4.5239 0.46657E-01 -1.3311 10 Fe++ 0.21162E-06 -6.6744 0.10122E-07 -7.9947 0.47831E-01 -1.3203 11 K+ 0.77519E-01 -1.1106 0.40648E-01 -1.3910 0.52435E+00 -0.2804 12 Na+ 0.43353E+00 -0.3630 0.21750E+00 -0.6625 0.50169E+00 -0.2996 13 Zn++ 0.27106E-08 -8.5669 0.12965E-09 -9.8872 0.47831E-01 -1.3203 14 Cu+ 0.14445E-10 -10.8403 0.72374E-11 -11.1404 0.50102E+00 -0.3001 15 Pb++ 0.15742E-08 -8.8029 0.85904E-10 -10.0660 0.54568E-01 -1.2631 16 HSiO3- 0.47447E-06 -6.3238 0.23714E-06 -6.6250 0.49980E+00 -0.3012 17 Ca(HSiO3)+ 0.10081E-06 -6.9965 0.53097E-07 -7.2749 0.52672E+00 -0.2784 18 Mg(HSiO3)+ 0.25987E-08 -8.5852 0.13688E-08 -8.8637 0.52672E+00 -0.2784 19 NaHSiO3,aq 0.41494E-06 -6.3820 0.41494E-06 -6.3820 0.10000E+01 0.0000 20 CH4,aq 0.14638E-02 -2.8345 0.13258E-02 -2.8775 0.90572E+00 -0.0430 21 C2H6,aq 0.39691E-08 -8.4013 0.35949E-08 -8.4443 0.90572E+00 -0.0430 22 C3H8,aq 0.63423E-13 -13.1978 0.57443E-13 -13.2408 0.90572E+00 -0.0430 23 C4H10,aq 0.96543E-18 -18.0153 0.87441E-18 -18.0583 0.90572E+00 -0.0430 24 ethanol,aq 0.12215E-12 -12.9131 0.11063E-12 -12.9561 0.90572E+00 -0.0430 25 CO,aq 0.27311E-06 -6.5637 0.27311E-06 -6.5637 0.10000E+01 0.0000 26 CO2,aq 0.13700E+00 -0.8633 0.12409E+00 -0.9063 0.90572E+00 -0.0430 27 CO3-2 0.27656E-08 -8.5582 0.15410E-09 -9.8122 0.55718E-01 -1.2540 28 CaCO3,aq 0.48178E-07 -7.3171 0.48178E-07 -7.3171 0.10000E+01 0.0000 29 Ca(HCO3)+ 0.11441E-03 -3.9415 0.60261E-04 -4.2200 0.52672E+00 -0.2784 30 CaCl+ 0.12222E-01 -1.9129 0.64375E-02 -2.1913 0.52672E+00 -0.2784 31 CaCl2,aq 0.72226E-03 -3.1413 0.72226E-03 -3.1413 0.10000E+01 0.0000 32 CaOH+ 0.10798E-05 -5.9667 0.56874E-06 -6.2451 0.52672E+00 -0.2784 33 CaSO4,aq 0.32449E-10 -10.4888 0.32449E-10 -10.4888 0.10000E+01 0.0000 34 HCl,aq 0.16485E-04 -4.7829 0.16485E-04 -4.7829 0.10000E+01 0.0000 38 Cu+2 0.19842E-16 -16.7024 0.98688E-18 -18.0057 0.49736E-01 -1.3033 39 CuCl+ 0.29710E-16 -16.5271 0.15649E-16 -16.8055 0.52672E+00 -0.2784 40 CuCl2,aq 0.35411E-17 -17.4509 0.35411E-17 -17.4509 0.10000E+01 0.0000 41 CuCl3- 0.52302E-19 -19.2815 0.26141E-19 -19.5827 0.49980E+00 -0.3012 43 CuCl,aq 0.10792E-07 -7.9669 0.10792E-07 -7.9669 0.10000E+01 0.0000 44 CuCl2- 0.10169E-06 -6.9927 0.50827E-07 -7.2939 0.49980E+00 -0.3012 45 CuCl3-2 0.71042E-08 -8.1485 0.39583E-09 -9.4025 0.55718E-01 -1.2540 46 CuO,aq 0.88873E-19 -19.0512 0.88873E-19 -19.0512 0.10000E+01 0.0000 47 CuOH+ 0.75255E-18 -18.1235 0.39638E-18 -18.4019 0.52672E+00 -0.2784 50 Fe+3 0.17244E-18 -18.7634 0.24301E-21 -21.6144 0.14093E-02 -2.8510 51 FeCl+ 0.96457E-07 -7.0157 0.50806E-07 -7.2941 0.52672E+00 -0.2784 52 FeCl2,aq 0.53552E-08 -8.2712 0.53552E-08 -8.2712 0.10000E+01 0.0000 53 FeCl+2 0.10757E-17 -17.9683 0.53501E-19 -19.2716 0.49736E-01 -1.3033 54 FeO,aq 0.18246E-11 -11.7388 0.18246E-11 -11.7388 0.10000E+01 0.0000 55 FeOH+ 0.10937E-08 -8.9611 0.57606E-09 -9.2395 0.52672E+00 -0.2784 56 HFeO2- 0.46612E-14 -14.3315 0.23297E-14 -14.6327 0.49980E+00 -0.3012 57 FeO+ 0.38204E-13 -13.4179 0.20123E-13 -13.6963 0.52672E+00 -0.2784 58 FeOH+2 0.48359E-15 -15.3155 0.24052E-16 -16.6188 0.49736E-01 -1.3033 59 FeO2- 0.27209E-14 -14.5653 0.13599E-14 -14.8665 0.49980E+00 -0.3012 60 HFeO2,aq 0.17342E-12 -12.7609 0.17342E-12 -12.7609 0.10000E+01 0.0000 61 H2,aq 0.46754E-04 -4.3302 0.42346E-04 -4.3732 0.90572E+00 -0.0430 62 KCl,aq 0.24663E-02 -2.6079 0.24663E-02 -2.6079 0.10000E+01 0.0000 63 KHSO4,aq 0.99947E-13 -13.0002 0.99947E-13 -13.0002 0.10000E+01 0.0000 64 KOH,aq 0.18288E-07 -7.7378 0.18288E-07 -7.7378 0.10000E+01 0.0000 65 KSO4- 0.10544E-09 -9.9770 0.52701E-10 -10.2782 0.49980E+00 -0.3012 66 MgCO3,aq 0.18887E-09 -9.7238 0.18887E-09 -9.7238 0.10000E+01 0.0000 67 Mg(HCO3)+ 0.36634E-05 -5.4361 0.19296E-05 -5.7145 0.52672E+00 -0.2784 68 MgCl+ 0.21979E-03 -3.6580 0.11577E-03 -3.9364 0.52672E+00 -0.2784 69 MgOH+ 0.12091E-06 -6.9175 0.63688E-07 -7.1959 0.52672E+00 -0.2784 70 NaCl,aq 0.86982E-01 -1.0606 0.86982E-01 -1.0606 0.10000E+01 0.0000 71 NaOH,aq 0.65468E-07 -7.1840 0.65468E-07 -7.1840 0.10000E+01 0.0000 73 OH- 0.47951E-06 -6.3192 0.22495E-06 -6.6479 0.46913E+00 -0.3287 76 PbCl+ 0.26442E-07 -7.5777 0.13927E-07 -7.8561 0.52672E+00 -0.2784 77 PbCl2,aq 0.92140E-07 -7.0356 0.92140E-07 -7.0356 0.10000E+01 0.0000 78 PbCl3- 0.46147E-07 -7.3359 0.23064E-07 -7.6371 0.49980E+00 -0.3012 79 PbCl4-2 0.23335E-07 -7.6320 0.13002E-08 -8.8860 0.55718E-01 -1.2540 80 PbO,aq 0.47089E-12 -12.3271 0.47089E-12 -12.3271 0.10000E+01 0.0000 81 HPbO2- 0.80658E-17 -17.0934 0.40313E-17 -17.3946 0.49980E+00 -0.3012 82 Pb(HS)2,aq 0.79448E-06 -6.0999 0.79448E-06 -6.0999 0.10000E+01 0.0000 83 Pb(HS)3- 0.26154E-08 -8.5825 0.13072E-08 -8.8837 0.49980E+00 -0.3012 84 H2S,aq 0.25671E-01 -1.5906 0.23251E-01 -1.6336 0.90572E+00 -0.0430 85 S2-2 0.23062E-10 -10.6371 0.12850E-11 -11.8911 0.55718E-01 -1.2540 86 S3-2 0.23965E-12 -12.6204 0.13353E-13 -13.8744 0.55718E-01 -1.2540 87 S3- 0.61776E-10 -10.2092 0.30876E-10 -10.5104 0.49980E+00 -0.3012 88 S4-2 0.18126E-14 -14.7417 0.10099E-15 -15.9957 0.55718E-01 -1.2540 89 S5-2 0.10122E-16 -16.9947 0.56400E-18 -18.2487 0.55718E-01 -1.2540 90 SO2,aq 0.10446E-11 -11.9811 0.10446E-11 -11.9811 0.10000E+01 0.0000 91 SO3-2 0.24228E-15 -15.6157 0.17106E-16 -16.7668 0.70606E-01 -1.1512 92 HSO3- 0.18083E-11 -11.7427 0.90378E-12 -12.0439 0.49980E+00 -0.3012 93 HSO4- 0.52667E-10 -10.2785 0.28164E-10 -10.5503 0.53475E+00 -0.2718 95 S2O3-2 0.63480E-13 -13.1974 0.35370E-14 -14.4514 0.55718E-01 -1.2540 96 HS2O3- 0.12241E-14 -14.9122 0.61181E-15 -15.2134 0.49980E+00 -0.3012 97 H2S2O3,aq 0.37876E-17 -17.4216 0.37876E-17 -17.4216 0.10000E+01 0.0000 107 ZnCl+ 0.18623E-05 -5.7300 0.98091E-06 -6.0084 0.52672E+00 -0.2784 108 ZnCl2,aq 0.33172E-06 -6.4792 0.33172E-06 -6.4792 0.10000E+01 0.0000 109 ZnCl3- 0.23770E-07 -7.6240 0.11880E-07 -7.9252 0.49980E+00 -0.3012 110 ZnO,aq 0.24010E-11 -11.6196 0.24010E-11 -11.6196 0.10000E+01 0.0000 111 ZnOH+ 0.12761E-07 -7.8941 0.67215E-08 -8.1725 0.52672E+00 -0.2784 113 HZnO2- 0.32581E-15 -15.4870 0.16284E-15 -15.7882 0.49980E+00 -0.3012 Charge balance for all species = 0.1436E-04 Component Molality Aq.molality ppm log[A(N)/A(H+)**Z] (total) 1 H+ 0.9615788E-04 0.1627740E+00 0.1566508E+03 0.0000 2 H2O 0.1000000E+01 0.5537276E+02 0.9524685E+06 0.0000 3 Cl- 0.5580819E+00 0.6614367E+00 0.2239001E+05 3.7646 4 SO4-- 0.1961614E-09 -.1475597E-02 -.1353414E+03 -2.3061 5 HCO3- 0.3465796E-03 0.1389332E+00 0.8094148E+04 0.5738 6 HS- 0.1423391E-03 0.2729086E-01 0.8617686E+03 0.1730 7 H4SiO4 0.6422114E-02 0.6423107E-02 0.5894556E+03 -2.1923 8 Ca++ 0.1679685E-01 0.2985653E-01 0.1142506E+04 5.5752 9 Mg++ 0.6415160E-03 0.8650886E-03 0.2008141E+02 4.1143 10 Fe++ 0.2116173E-06 0.3145252E-06 0.1677136E-01 0.6434 11 K+ 0.7751946E-01 0.7998581E-01 0.2986241E+04 2.9281 12 Na+ 0.4335306E+00 0.5205136E+00 0.1142563E+05 3.6565 13 Zn++ 0.2710592E-08 0.2233249E-05 0.1393891E+00 -1.2490 14 Cu+ 0.1444526E-10 0.1196053E-06 0.7256225E-02 -6.8213 15 Pb++ 0.1574246E-08 0.9867314E-06 0.1952004E+00 -1.4278 Component Tot moles Aq. moles Solid moles Gas moles 1 H+ 0.1632321E+00 0.1632297E+00 0.2423901E-05 0.0000000E+00 2 H2O 0.5550825E+02 0.5552777E+02 -.1952457E-01 0.0000000E+00 3 Cl- 0.6632884E+00 0.6632884E+00 0.0000000E+00 0.0000000E+00 4 SO4-- -.1473305E-02 -.1479728E-02 0.6422942E-05 0.0000000E+00 5 HCO3- 0.1393221E+00 0.1393221E+00 0.0000000E+00 0.0000000E+00 6 HS- 0.2741622E-01 0.2736726E-01 0.4895963E-04 0.0000000E+00 7 H4SiO4 0.1619053E-01 0.6441088E-02 0.9749440E-02 0.0000000E+00 8 Ca++ 0.2994012E-01 0.2994012E-01 0.0000000E+00 0.0000000E+00 9 Mg++ 0.8675104E-03 0.8675104E-03 0.0000000E+00 0.0000000E+00 10 Fe++ 0.2604518E-04 0.3154058E-06 0.2572977E-04 0.0000000E+00 11 K+ 0.8020973E-01 0.8020973E-01 0.0000000E+00 0.0000000E+00 12 Na+ 0.5219708E+00 0.5219708E+00 0.0000000E+00 0.0000000E+00 13 Zn++ 0.5000000E-05 0.2239501E-05 0.2760499E-05 0.0000000E+00 14 Cu+ 0.5000000E-06 0.1199402E-06 0.3800598E-06 0.0000000E+00 15 Pb++ 0.2000000E-05 0.9894938E-06 0.1010506E-05 0.0000000E+00 Chg. balance for solid moles: 0.6353E-20 Mass of aqueous solution: 0.105027E+04 g Temperature = 230.00 C Pressure = 500.00 bar Mixer frac. = 0.0000000 Log Log Vol Gas or mineral Moles Moles Grams Grams Wt.% (cm3) pyrite 0.2565E-04 -4.591 0.3078E-02 -2.512 0.5222 0.6141E-03 quartz 0.9749E-02 -2.011 0.5857 -0.232 99.38 0.2212 bornite 0.7601E-07 -7.119 0.3814E-04 -4.419 0.6472E-02 0.7504E-05 galena 0.1011E-05 -5.995 0.2418E-03 -3.617 0.4102E-01 0.3182E-04 sphalerite 0.2760E-05 -5.559 0.2690E-03 -3.570 0.4563E-01 0.6578E-04 Partial press. Fugacity coef Log fugacity Gas or Mineral Mole fraction or activity Activity coef Log activity pyrite 0.1000E+01 0.1000E+01 1.0000 0.000 quartz 0.1000E+01 0.1000E+01 1.0000 0.000 bornite 0.1000E+01 0.1000E+01 1.0000 0.000 galena 0.1000E+01 0.1000E+01 1.0000 0.000 sphalerite 0.1000E+01 0.1000E+01 1.0000 0.000 Solid products produced: Mass = 0.589373 g Volume = 0.221923 cm3 WARNING: mineral volume may be in error because some mineral densities were not supplied in SOLTHERM. See mineral list in file Skip_Species.txt. Gas composition at saturation ( 4 iterations) ------------------------------------------------- Temperature: 230.0000 deg.C Sat. pressure: 68.9597 bar Gas Mole fraction phi Fugacity Partial P(bar) H2O,gas 0.5998E+00 0.7296 0.3018E+02 0.4136E+02 CO2,gas 0.3638E+00 0.9786 0.2455E+02 0.2509E+02 CH4,gas 0.1722E-01 1.1712 0.1391E+01 0.1188E+01 H2,gas 0.4243E-03 1.0275 0.3007E-01 0.2926E-01 H2S,gas 0.1871E-01 0.8974 0.1158E+01 0.1290E+01 S2,gas 0.1339E-11 1.0000 0.9232E-10 0.9232E-10 CO,gas 0.2744E-05 1.0000 0.1892E-03 0.1892E-03 SO3,gas 0.1038E-26 1.0000 0.7158E-25 0.7158E-25 O2,gas 0.5371E-41 1.0000 0.3704E-39 0.3704E-39 SO2,gas 0.2515E-12 1.0000 0.1734E-10 0.1734E-10 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 70 pyrite -19.06 -19.06 0.00 0.000 -0.81795E-11 73 quartz -2.17 -2.17 0.00 0.000 0.00000E+00 98 bornite -68.71 -68.71 0.00 0.000 -0.32718E-10 118 galena -9.89 -9.89 -0.00 -0.000 0.40898E-11 128 sphalerite -9.71 -9.71 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 1.21 -0.01 -1.22 -1.219 0.28071E+04 1.480 2 CO2,gas -6.75 -8.06 -1.31 -0.436 0.30135E+04 1.390 3 CH4,gas 5.60 3.04 -2.56 -0.639 0.58839E+04 0.143 4 H2,gas 6.99 2.77 -4.22 -2.412 0.97179E+04 -1.522 5 H2S,gas -5.83 -8.47 -2.64 -1.318 0.60673E+04 0.064 6 S2,gas -9.74 -22.47 -12.73 -1.959 0.29317E+05 -10.035 7 CO,gas 1.15 -5.28 -6.42 -1.976 0.14786E+05 -3.723 8 SO3,gas 8.27 -19.57 -27.84 -6.961 0.64106E+05 -25.145 9 O2,gas 36.57 -5.56 -42.13 -28.087 0.96998E+05 -39.431 10 SO2,gas -3.33 -16.79 -13.46 -3.589 0.30989E+05 -10.761 11 HCl,gas 0.04 -4.87 -4.92 -2.458 0.11317E+05 -4.916 21 aragonite -0.56 -2.49 -1.93 -0.642 0.44324E+04 22 brucite 8.81 4.10 -4.72 -0.943 0.10859E+05 23 calcite -0.70 -2.49 -1.79 -0.595 0.41104E+04 28 coesite -1.71 -2.17 -0.47 -0.155 0.10707E+04 30 cristobalite -1.92 -2.17 -0.26 -0.085 0.59023E+03 34 diamond -1.93 -2.50 -0.57 -0.162 0.13090E+04 37 dolomite,ordered -2.78 -6.44 -3.66 -0.609 0.84156E+04 45 goethite 3.89 -0.76 -4.65 -1.005 0.10698E+05 46 graphite -2.30 -2.50 -0.19 -0.055 0.44438E+03 49 halite 1.22 -1.22 -2.44 -1.218 0.56087E+04 56 magnesite -1.40 -3.95 -2.55 -0.851 0.58756E+04 71 pyrrhotite -5.33 -7.82 -2.49 -0.831 0.57378E+04 72 pyrrhotiteFe0.875 -6.55 -8.25 -1.70 -0.624 0.39033E+04 78 siderite -3.88 -7.42 -3.54 -1.180 0.81471E+04 80 stishovite 2.25 -2.17 -4.42 -1.474 0.10184E+05 81 sulfur -8.50 -11.24 -2.74 -0.843 0.63098E+04 82 sylvite 1.30 -1.95 -3.25 -1.623 0.74714E+04 88 tridymite -1.94 -2.17 -0.23 -0.077 0.53423E+03 91 troilite-low -5.37 -7.82 -2.45 -0.818 0.56509E+04 95 walstromite 8.24 3.39 -4.85 -0.969 0.11155E+05 96 wollastonite 7.48 3.39 -4.09 -0.818 0.94217E+04 97 pseudo-wollastonite 7.82 3.39 -4.43 -0.886 0.10196E+05 100 chalcedony -2.04 -2.17 -0.14 -0.046 0.31910E+03 101 chalcocite -20.66 -22.11 -1.44 -0.361 0.33242E+04 102 covellite -15.43 -16.67 -1.24 -0.473 0.28592E+04 114 chalcopyrite -24.02 -24.49 -0.47 -0.087 0.10800E+04 115 copper,native -1.16 -5.44 -4.28 -1.489 0.98564E+04 116 dolomite,disordered -2.42 -6.44 -4.02 -0.669 0.92465E+04 125 silica-amorphous -1.60 -2.17 -0.58 -0.193 0.13347E+04 129 wurtzite -8.36 -9.71 -1.36 -0.452 0.31225E+04 Calculations done for 230.0000 Deg. C; 500.0000 bar Temperature changed by -5.000 degrees to 225.000 degrees C. Solids and gases carried ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ Test file for CHIM-XPT. Japanese Geothermal Water. Cooling only. See running notes, below. CHIMRUN demo-1 ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ Number of loops used = 11 Loop limit = 470 Temperature = 225.00 C Pressure = 500.00 bar Mixer fraction = 0.0000000 Water: Moles liquid = 0.5566E+02 kg liquid = 0.1003E+01 Moles total = 0.5551E+02 kg total = 0.1000E+01 Activity = 0.9798 Stoichiometric ionic strength = .7744597E+00 Osmotic coef. = 0.8580 True ionic strength = .5804481E+00 Chg. balance for total moles = 0.1440E-04 Max. difference allowed = 0.6633E-04 Log Log Log Species(n) Molality Molality Activity Activity Gamma Gamma 1 H+ 0.10320E-03 -3.9863 0.52057E-04 -4.2835 0.50441E+00 -0.2972 2 H2O 0.97984E+00 -0.0088 0.97984E+00 -0.0088 3 Cl- 0.56192E+00 -0.2503 0.28417E+00 -0.5464 0.50572E+00 -0.2961 4 SO4-- 0.19297E-09 -9.7145 0.11641E-10 -10.9340 0.60326E-01 -1.2195 5 HCO3- 0.35765E-03 -3.4465 0.18747E-03 -3.7271 0.52416E+00 -0.2805 6 HS- 0.14058E-03 -3.8521 0.71375E-04 -4.1465 0.50771E+00 -0.2944 7 H4SiO4 0.60997E-02 -2.2147 0.60997E-02 -2.2147 0.10000E+01 0.0000 8 Ca++ 0.17376E-01 -1.7601 0.93392E-03 -3.0297 0.53749E-01 -1.2696 9 Mg++ 0.65061E-03 -3.1867 0.31783E-04 -4.4978 0.48851E-01 -1.3111 10 Fe++ 0.18946E-06 -6.7225 0.94806E-08 -8.0232 0.50040E-01 -1.3007 11 K+ 0.77689E-01 -1.1096 0.41146E-01 -1.3857 0.52963E+00 -0.2760 12 Na+ 0.43656E+00 -0.3600 0.22153E+00 -0.6546 0.50745E+00 -0.2946 13 Zn++ 0.28485E-08 -8.5454 0.14254E-09 -9.8461 0.50040E-01 -1.3007 14 Cu+ 0.12077E-10 -10.9181 0.61204E-11 -11.2132 0.50679E+00 -0.2952 15 Pb++ 0.14966E-08 -8.8249 0.85102E-10 -10.0701 0.56862E-01 -1.2452 16 HSiO3- 0.42537E-06 -6.3712 0.21512E-06 -6.6673 0.50572E+00 -0.2961 17 Ca(HSiO3)+ 0.86919E-07 -7.0609 0.46236E-07 -7.3350 0.53195E+00 -0.2741 18 Mg(HSiO3)+ 0.22439E-08 -8.6490 0.11936E-08 -8.9231 0.53195E+00 -0.2741 19 NaHSiO3,aq 0.37941E-06 -6.4209 0.37941E-06 -6.4209 0.10000E+01 0.0000 20 CH4,aq 0.14658E-02 -2.8339 0.13263E-02 -2.8774 0.90481E+00 -0.0434 21 C2H6,aq 0.40067E-08 -8.3972 0.36253E-08 -8.4407 0.90481E+00 -0.0434 22 C3H8,aq 0.67376E-13 -13.1715 0.60962E-13 -13.2149 0.90481E+00 -0.0434 23 C4H10,aq 0.10820E-17 -17.9658 0.97898E-18 -18.0092 0.90481E+00 -0.0434 24 ethanol,aq 0.11696E-12 -12.9320 0.10582E-12 -12.9754 0.90481E+00 -0.0434 25 CO,aq 0.22492E-06 -6.6480 0.22492E-06 -6.6480 0.10000E+01 0.0000 26 CO2,aq 0.13699E+00 -0.8633 0.12395E+00 -0.9067 0.90481E+00 -0.0434 27 CO3-2 0.27638E-08 -8.5585 0.16049E-09 -9.7946 0.58068E-01 -1.2361 28 CaCO3,aq 0.46106E-07 -7.3362 0.46106E-07 -7.3362 0.10000E+01 0.0000 29 Ca(HCO3)+ 0.11204E-03 -3.9506 0.59599E-04 -4.2248 0.53195E+00 -0.2741 30 CaCl+ 0.11695E-01 -1.9320 0.62214E-02 -2.2061 0.53195E+00 -0.2741 31 CaCl2,aq 0.67215E-03 -3.1725 0.67215E-03 -3.1725 0.10000E+01 0.0000 32 CaOH+ 0.88943E-06 -6.0509 0.47313E-06 -6.3250 0.53195E+00 -0.2741 33 CaSO4,aq 0.31645E-10 -10.4997 0.31645E-10 -10.4997 0.10000E+01 0.0000 34 HCl,aq 0.16522E-04 -4.7819 0.16522E-04 -4.7819 0.10000E+01 0.0000 38 Cu+2 0.19456E-16 -16.7110 0.10111E-17 -17.9952 0.51970E-01 -1.2843 39 CuCl+ 0.27322E-16 -16.5635 0.14534E-16 -16.8376 0.53195E+00 -0.2741 40 CuCl2,aq 0.30266E-17 -17.5190 0.30266E-17 -17.5190 0.10000E+01 0.0000 41 CuCl3- 0.43314E-19 -19.3634 0.21904E-19 -19.6595 0.50572E+00 -0.2961 43 CuCl,aq 0.90857E-08 -8.0416 0.90857E-08 -8.0416 0.10000E+01 0.0000 44 CuCl2- 0.85709E-07 -7.0670 0.43345E-07 -7.3631 0.50572E+00 -0.2961 45 CuCl3-2 0.60336E-08 -8.2194 0.35036E-09 -9.4555 0.58068E-01 -1.2361 46 CuO,aq 0.66373E-19 -19.1780 0.66373E-19 -19.1780 0.10000E+01 0.0000 47 CuOH+ 0.63329E-18 -18.1984 0.33688E-18 -18.4725 0.53195E+00 -0.2741 50 Fe+3 0.15783E-18 -18.8018 0.24426E-21 -21.6121 0.15477E-02 -2.8103 51 FeCl+ 0.81011E-07 -7.0915 0.43094E-07 -7.3656 0.53195E+00 -0.2741 52 FeCl2,aq 0.33884E-08 -8.4700 0.33884E-08 -8.4700 0.10000E+01 0.0000 53 FeCl+2 0.94337E-18 -18.0253 0.49027E-19 -19.3096 0.51970E-01 -1.2843 54 FeO,aq 0.11118E-11 -11.9540 0.11118E-11 -11.9540 0.10000E+01 0.0000 55 FeOH+ 0.82346E-09 -9.0844 0.43804E-09 -9.3585 0.53195E+00 -0.2741 56 HFeO2- 0.25223E-14 -14.5982 0.12756E-14 -14.8943 0.50572E+00 -0.2961 57 FeO+ 0.28260E-13 -13.5488 0.15033E-13 -13.8230 0.53195E+00 -0.2741 58 FeOH+2 0.39064E-15 -15.4082 0.20302E-16 -16.6925 0.51970E-01 -1.2843 59 FeO2- 0.14267E-14 -14.8457 0.72151E-15 -15.1418 0.50572E+00 -0.2961 60 HFeO2,aq 0.11059E-12 -12.9563 0.11059E-12 -12.9563 0.10000E+01 0.0000 61 H2,aq 0.38848E-04 -4.4106 0.35150E-04 -4.4541 0.90481E+00 -0.0434 62 KCl,aq 0.22957E-02 -2.6391 0.22957E-02 -2.6391 0.10000E+01 0.0000 63 KHSO4,aq 0.83139E-13 -13.0802 0.83139E-13 -13.0802 0.10000E+01 0.0000 64 KOH,aq 0.15596E-07 -7.8070 0.15596E-07 -7.8070 0.10000E+01 0.0000 65 KSO4- 0.98269E-10 -10.0076 0.49696E-10 -10.3037 0.50572E+00 -0.2961 66 MgCO3,aq 0.18224E-09 -9.7394 0.18224E-09 -9.7394 0.10000E+01 0.0000 67 Mg(HCO3)+ 0.35502E-05 -5.4497 0.18885E-05 -5.7239 0.53195E+00 -0.2741 68 MgCl+ 0.21082E-03 -3.6761 0.11214E-03 -3.9502 0.53195E+00 -0.2741 69 MgOH+ 0.98855E-07 -7.0050 0.52586E-07 -7.2791 0.53195E+00 -0.2741 70 NaCl,aq 0.83948E-01 -1.0760 0.83948E-01 -1.0760 0.10000E+01 0.0000 71 NaOH,aq 0.56768E-07 -7.2459 0.56768E-07 -7.2459 0.10000E+01 0.0000 73 OH- 0.41899E-06 -6.3778 0.19938E-06 -6.7003 0.47586E+00 -0.3225 76 PbCl+ 0.23694E-07 -7.6254 0.12604E-07 -7.8995 0.53195E+00 -0.2741 77 PbCl2,aq 0.79267E-07 -7.1009 0.79267E-07 -7.1009 0.10000E+01 0.0000 78 PbCl3- 0.38705E-07 -7.4122 0.19574E-07 -7.7083 0.50572E+00 -0.2961 79 PbCl4-2 0.19468E-07 -7.7107 0.11304E-08 -8.9468 0.58068E-01 -1.2361 80 PbO,aq 0.33353E-12 -12.4769 0.33353E-12 -12.4769 0.10000E+01 0.0000 81 HPbO2- 0.52348E-17 -17.2811 0.26473E-17 -17.5772 0.50572E+00 -0.2961 82 Pb(HS)2,aq 0.74649E-06 -6.1270 0.74649E-06 -6.1270 0.10000E+01 0.0000 83 Pb(HS)3- 0.23209E-08 -8.6343 0.11737E-08 -8.9304 0.50572E+00 -0.2961 84 H2S,aq 0.25672E-01 -1.5905 0.23229E-01 -1.6340 0.90481E+00 -0.0434 85 S2-2 0.21688E-10 -10.6638 0.12594E-11 -11.8998 0.58068E-01 -1.2361 86 S3-2 0.25080E-12 -12.6007 0.14563E-13 -13.8367 0.58068E-01 -1.2361 87 S3- 0.60587E-10 -10.2176 0.30640E-10 -10.5137 0.50572E+00 -0.2961 88 S4-2 0.21059E-14 -14.6766 0.12228E-15 -15.9126 0.58068E-01 -1.2361 89 S5-2 0.13018E-16 -16.8855 0.75591E-18 -18.1215 0.58068E-01 -1.2361 90 SO2,aq 0.81765E-12 -12.0874 0.81765E-12 -12.0874 0.10000E+01 0.0000 91 SO3-2 0.21268E-15 -15.6723 0.15551E-16 -16.8082 0.73121E-01 -1.1360 92 HSO3- 0.15217E-11 -11.8177 0.76956E-12 -12.1138 0.50572E+00 -0.2961 93 HSO4- 0.48996E-10 -10.3098 0.26453E-10 -10.5775 0.53990E+00 -0.2677 95 S2O3-2 0.62939E-13 -13.2011 0.36548E-14 -14.4371 0.58068E-01 -1.2361 96 HS2O3- 0.11924E-14 -14.9236 0.60303E-15 -15.2197 0.50572E+00 -0.2961 97 H2S2O3,aq 0.36968E-17 -17.4322 0.36968E-17 -17.4322 0.10000E+01 0.0000 107 ZnCl+ 0.16697E-05 -5.7774 0.88821E-06 -6.0515 0.53195E+00 -0.2741 108 ZnCl2,aq 0.28913E-06 -6.5389 0.28913E-06 -6.5389 0.10000E+01 0.0000 109 ZnCl3- 0.20595E-07 -7.6862 0.10415E-07 -7.9823 0.50572E+00 -0.2961 110 ZnO,aq 0.17666E-11 -11.7529 0.17666E-11 -11.7529 0.10000E+01 0.0000 111 ZnOH+ 0.10733E-07 -7.9693 0.57097E-08 -8.2434 0.53195E+00 -0.2741 113 HZnO2- 0.21325E-15 -15.6711 0.10785E-15 -15.9672 0.50572E+00 -0.2961 Charge balance for all species = 0.1436E-04 Component Molality Aq.molality ppm log[A(N)/A(H+)**Z] (total) 1 H+ 0.1032033E-03 0.1627724E+00 0.1566540E+03 0.0000 2 H2O 0.1000000E+01 0.5537276E+02 0.9524972E+06 0.0000 3 Cl- 0.5619152E+00 0.6614290E+00 0.2239042E+05 3.7371 4 SO4-- 0.1929690E-09 -.1475590E-02 -.1353448E+03 -2.3670 5 HCO3- 0.3576544E-03 0.1389316E+00 0.8094298E+04 0.5564 6 HS- 0.1405812E-03 0.2729015E-01 0.8617722E+03 0.1371 7 H4SiO4 0.6099739E-02 0.6100633E-02 0.5598787E+03 -2.2147 8 Ca++ 0.1737553E-01 0.2985619E-01 0.1142527E+04 5.5373 9 Mg++ 0.6506110E-03 0.8650786E-03 0.2008178E+02 4.0692 10 Fe++ 0.1894604E-06 0.2746844E-06 0.1464738E-01 0.5439 11 K+ 0.7768920E-01 0.7998489E-01 0.2986297E+04 2.8979 12 Na+ 0.4365591E+00 0.5205076E+00 0.1142584E+05 3.6290 13 Zn++ 0.2848523E-08 0.1993034E-05 0.1243997E+00 -1.2790 14 Cu+ 0.1207671E-10 0.1008406E-06 0.6117987E-02 -6.9297 15 Pb++ 0.1496622E-08 0.9114434E-06 0.1803120E+00 -1.5030 Component Tot moles Aq. moles Solid moles Gas moles 1 H+ 0.1632321E+00 0.1632300E+00 0.2105775E-05 0.0000000E+00 2 H2O 0.5550825E+02 0.5552842E+02 -.2017122E-01 0.0000000E+00 3 Cl- 0.6632884E+00 0.6632884E+00 0.0000000E+00 0.0000000E+00 4 SO4-- -.1473305E-02 -.1479738E-02 0.6432458E-05 0.0000000E+00 5 HCO3- 0.1393221E+00 0.1393221E+00 0.0000000E+00 0.0000000E+00 6 HS- 0.2741622E-01 0.2736687E-01 0.4935389E-04 0.0000000E+00 7 H4SiO4 0.1619053E-01 0.6117783E-02 0.1007275E-01 0.0000000E+00 8 Ca++ 0.2994012E-01 0.2994012E-01 0.0000000E+00 0.0000000E+00 9 Mg++ 0.8675104E-03 0.8675104E-03 0.0000000E+00 0.0000000E+00 10 Fe++ 0.2604518E-04 0.2754566E-06 0.2576972E-04 0.0000000E+00 11 K+ 0.8020973E-01 0.8020973E-01 0.0000000E+00 0.0000000E+00 12 Na+ 0.5219708E+00 0.5219708E+00 0.0000000E+00 0.0000000E+00 13 Zn++ 0.5000000E-05 0.1998636E-05 0.3001364E-05 0.0000000E+00 14 Cu+ 0.5000000E-06 0.1011240E-06 0.3988760E-06 0.0000000E+00 15 Pb++ 0.2000000E-05 0.9140056E-06 0.1085994E-05 0.0000000E+00 Chg. balance for solid moles: -.1694E-20 Mass of aqueous solution: 0.105025E+04 g Temperature = 225.00 C Pressure = 500.00 bar Mixer frac. = 0.0000000 Log Log Vol Gas or mineral Moles Moles Grams Grams Wt.% (cm3) pyrite 0.2569E-04 -4.590 0.3082E-02 -2.511 0.5063 0.6150E-03 quartz 0.1007E-01 -1.997 0.6052 -0.218 99.40 0.2285 bornite 0.7978E-07 -7.098 0.4003E-04 -4.398 0.6575E-02 0.7876E-05 galena 0.1086E-05 -5.964 0.2598E-03 -3.585 0.4267E-01 0.3420E-04 sphalerite 0.3001E-05 -5.523 0.2924E-03 -3.534 0.4803E-01 0.7151E-04 Partial press. Fugacity coef Log fugacity Gas or Mineral Mole fraction or activity Activity coef Log activity pyrite 0.1000E+01 0.1000E+01 1.0000 0.000 quartz 0.1000E+01 0.1000E+01 1.0000 0.000 bornite 0.1000E+01 0.1000E+01 1.0000 0.000 galena 0.1000E+01 0.1000E+01 1.0000 0.000 sphalerite 0.1000E+01 0.1000E+01 1.0000 0.000 Solid products produced: Mass = 0.608845 g Volume = 0.229267 cm3 WARNING: mineral volume may be in error because some mineral densities were not supplied in SOLTHERM. See mineral list in file Skip_Species.txt. Gas composition at saturation ( 4 iterations) ------------------------------------------------- Temperature: 225.0000 deg.C Sat. pressure: 66.1531 bar Gas Mole fraction phi Fugacity Partial P(bar) H2O,gas 0.5711E+00 0.7344 0.2774E+02 0.3778E+02 CO2,gas 0.3895E+00 0.9754 0.2513E+02 0.2577E+02 CH4,gas 0.1923E-01 1.1590 0.1474E+01 0.1272E+01 H2,gas 0.3854E-03 1.0267 0.2618E-01 0.2550E-01 H2S,gas 0.1982E-01 0.8982 0.1178E+01 0.1311E+01 S2,gas 0.1255E-11 1.0000 0.8302E-10 0.8302E-10 CO,gas 0.2520E-05 1.0000 0.1667E-03 0.1667E-03 SO3,gas 0.6299E-27 1.0000 0.4167E-25 0.4167E-25 O2,gas 0.1932E-41 1.0000 0.1278E-39 0.1278E-39 SO2,gas 0.2047E-12 1.0000 0.1354E-10 0.1354E-10 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 70 pyrite -19.07 -19.07 0.00 0.000 0.00000E+00 73 quartz -2.20 -2.20 0.00 0.000 -0.10123E-11 98 bornite -69.20 -69.20 0.00 0.000 -0.32393E-10 118 galena -9.93 -9.93 0.00 0.000 -0.80982E-11 128 sphalerite -9.71 -9.71 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 1.25 -0.01 -1.26 -1.256 0.28626E+04 1.443 2 CO2,gas -6.70 -8.00 -1.30 -0.433 0.29604E+04 1.400 3 CH4,gas 5.58 3.05 -2.53 -0.633 0.57678E+04 0.169 4 H2,gas 7.04 2.76 -4.28 -2.446 0.97584E+04 -1.582 5 H2S,gas -5.80 -8.43 -2.63 -1.314 0.59903E+04 0.071 6 S2,gas -9.60 -22.38 -12.78 -1.966 0.29131E+05 -10.081 7 CO,gas 1.24 -5.23 -6.48 -1.993 0.14764E+05 -3.778 8 SO3,gas 8.59 -19.49 -28.08 -7.020 0.64005E+05 -25.380 9 O2,gas 37.06 -5.54 -42.59 -28.395 0.97088E+05 -39.894 10 SO2,gas -3.16 -16.72 -13.57 -3.618 0.30926E+05 -10.868 11 HCl,gas 0.15 -4.83 -4.98 -2.491 0.11356E+05 -4.982 21 aragonite -0.50 -2.47 -1.98 -0.658 0.45025E+04 22 brucite 8.92 4.05 -4.87 -0.974 0.11104E+05 23 calcite -0.64 -2.47 -1.84 -0.612 0.41834E+04 28 coesite -1.73 -2.20 -0.47 -0.156 0.10691E+04 30 cristobalite -1.94 -2.20 -0.26 -0.087 0.59722E+03 34 diamond -1.96 -2.47 -0.51 -0.145 0.11607E+04 37 dolomite,ordered -2.65 -6.41 -3.77 -0.628 0.85903E+04 45 goethite 3.97 -0.85 -4.82 -1.042 0.10988E+05 46 graphite -2.33 -2.47 -0.13 -0.038 0.30137E+03 49 halite 1.24 -1.20 -2.44 -1.222 0.55710E+04 56 magnesite -1.32 -3.94 -2.62 -0.874 0.59798E+04 71 pyrrhotite -5.28 -7.89 -2.61 -0.870 0.59519E+04 72 pyrrhotiteFe0.875 -6.51 -8.30 -1.79 -0.657 0.40692E+04 78 siderite -3.82 -7.47 -3.64 -1.214 0.83034E+04 80 stishovite 2.26 -2.20 -4.46 -1.486 0.10164E+05 81 sulfur -8.49 -11.19 -2.70 -0.830 0.61520E+04 82 sylvite 1.32 -1.93 -3.25 -1.625 0.74061E+04 88 tridymite -1.96 -2.20 -0.24 -0.079 0.54023E+03 91 troilite-low -5.32 -7.89 -2.57 -0.857 0.58584E+04 96 wollastonite 7.58 3.33 -4.25 -0.849 0.96774E+04 97 pseudo-wollastonite 7.92 3.33 -4.59 -0.917 0.10457E+05 100 chalcedony -2.06 -2.20 -0.14 -0.047 0.31912E+03 101 chalcocite -20.86 -22.29 -1.43 -0.359 0.32696E+04 102 covellite -15.54 -16.74 -1.20 -0.457 0.27334E+04 114 chalcopyrite -24.11 -24.63 -0.51 -0.095 0.11699E+04 115 copper,native -1.21 -5.55 -4.34 -1.509 0.98865E+04 116 dolomite,disordered -2.27 -6.41 -4.14 -0.690 0.94360E+04 125 silica-amorphous -1.61 -2.20 -0.59 -0.197 0.13472E+04 129 wurtzite -8.34 -9.71 -1.37 -0.457 0.31228E+04 Calculations done for 225.0000 Deg. C; 500.0000 bar Temperature changed by -5.000 degrees to 220.000 degrees C. Solids and gases carried ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ Test file for CHIM-XPT. Japanese Geothermal Water. Cooling only. See running notes, below. CHIMRUN demo-1 ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ Number of loops used = 10 Loop limit = 470 Temperature = 220.00 C Pressure = 500.00 bar Mixer fraction = 0.0000000 Water: Moles liquid = 0.5566E+02 kg liquid = 0.1003E+01 Moles total = 0.5551E+02 kg total = 0.1000E+01 Activity = 0.9797 Stoichiometric ionic strength = .7744502E+00 Osmotic coef. = 0.8621 True ionic strength = .5846549E+00 Chg. balance for total moles = 0.1440E-04 Max. difference allowed = 0.6633E-04 Log Log Log Species(n) Molality Molality Activity Activity Gamma Gamma 1 H+ 0.11053E-03 -3.9565 0.56386E-04 -4.2488 0.51015E+00 -0.2923 2 H2O 0.97975E+00 -0.0089 0.97975E+00 -0.0089 3 Cl- 0.56555E+00 -0.2475 0.28930E+00 -0.5387 0.51154E+00 -0.2911 4 SO4-- 0.18982E-09 -9.7217 0.11919E-10 -10.9238 0.62789E-01 -1.2021 5 HCO3- 0.36906E-03 -3.4329 0.19542E-03 -3.7090 0.52950E+00 -0.2761 6 HS- 0.13880E-03 -3.8576 0.71272E-04 -4.1471 0.51348E+00 -0.2895 7 H4SiO4 0.57898E-02 -2.2373 0.57898E-02 -2.2373 0.10000E+01 0.0000 8 Ca++ 0.17933E-01 -1.7463 0.10061E-02 -2.9974 0.56100E-01 -1.2510 9 Mg++ 0.65916E-03 -3.1810 0.33719E-04 -4.4721 0.51154E-01 -1.2911 10 Fe++ 0.16847E-06 -6.7735 0.88199E-08 -8.0545 0.52354E-01 -1.2810 11 K+ 0.77847E-01 -1.1088 0.41627E-01 -1.3806 0.53473E+00 -0.2719 12 Na+ 0.43942E+00 -0.3571 0.22547E+00 -0.6469 0.51309E+00 -0.2898 13 Zn++ 0.29787E-08 -8.5260 0.15595E-09 -9.8070 0.52354E-01 -1.2810 14 Cu+ 0.10042E-10 -10.9982 0.51463E-11 -11.2885 0.51246E+00 -0.2903 15 Pb++ 0.14146E-08 -8.8494 0.83809E-10 -10.0767 0.59244E-01 -1.2274 16 HSiO3- 0.38098E-06 -6.4191 0.19489E-06 -6.7102 0.51154E+00 -0.2911 17 Ca(HSiO3)+ 0.74878E-07 -7.1256 0.40210E-07 -7.3957 0.53700E+00 -0.2700 18 Mg(HSiO3)+ 0.19384E-08 -8.7126 0.10409E-08 -8.9826 0.53700E+00 -0.2700 19 NaHSiO3,aq 0.34698E-06 -6.4597 0.34698E-06 -6.4597 0.10000E+01 0.0000 20 CH4,aq 0.14675E-02 -2.8334 0.13266E-02 -2.8773 0.90397E+00 -0.0438 21 C2H6,aq 0.40379E-08 -8.3938 0.36502E-08 -8.4377 0.90397E+00 -0.0438 22 C3H8,aq 0.71441E-13 -13.1461 0.64581E-13 -13.1899 0.90397E+00 -0.0438 23 C4H10,aq 0.12088E-17 -17.9177 0.10927E-17 -17.9615 0.90397E+00 -0.0438 24 ethanol,aq 0.11162E-12 -12.9523 0.10090E-12 -12.9961 0.90397E+00 -0.0438 25 CO,aq 0.18475E-06 -6.7334 0.18475E-06 -6.7334 0.10000E+01 0.0000 26 CO2,aq 0.13698E+00 -0.8633 0.12383E+00 -0.9072 0.90397E+00 -0.0438 27 CO3-2 0.27608E-08 -8.5590 0.16706E-09 -9.7771 0.60511E-01 -1.2182 28 CaCO3,aq 0.44155E-07 -7.3550 0.44155E-07 -7.3550 0.10000E+01 0.0000 29 Ca(HCO3)+ 0.10964E-03 -3.9600 0.58877E-04 -4.2301 0.53700E+00 -0.2700 30 CaCl+ 0.11186E-01 -1.9513 0.60070E-02 -2.2213 0.53700E+00 -0.2700 31 CaCl2,aq 0.62576E-03 -3.2036 0.62576E-03 -3.2036 0.10000E+01 0.0000 32 CaOH+ 0.73113E-06 -6.1360 0.39262E-06 -6.4060 0.53700E+00 -0.2700 33 CaSO4,aq 0.30909E-10 -10.5099 0.30909E-10 -10.5099 0.10000E+01 0.0000 34 HCl,aq 0.16564E-04 -4.7808 0.16564E-04 -4.7808 0.10000E+01 0.0000 38 Cu+2 0.18945E-16 -16.7225 0.10288E-17 -17.9877 0.54303E-01 -1.2652 39 CuCl+ 0.24967E-16 -16.6026 0.13407E-16 -16.8727 0.53700E+00 -0.2700 40 CuCl2,aq 0.25764E-17 -17.5890 0.25764E-17 -17.5890 0.10000E+01 0.0000 41 CuCl3- 0.35685E-19 -19.4475 0.18254E-19 -19.7386 0.51154E+00 -0.2911 43 CuCl,aq 0.76153E-08 -8.1183 0.76153E-08 -8.1183 0.10000E+01 0.0000 44 CuCl2- 0.71917E-07 -7.1432 0.36789E-07 -7.4343 0.51154E+00 -0.2911 45 CuCl3-2 0.50979E-08 -8.2926 0.30848E-09 -9.5108 0.60511E-01 -1.2182 46 CuO,aq 0.49265E-19 -19.3075 0.49265E-19 -19.3075 0.10000E+01 0.0000 47 CuOH+ 0.52987E-18 -18.2758 0.28454E-18 -18.5459 0.53700E+00 -0.2700 50 Fe+3 0.14305E-18 -18.8445 0.24315E-21 -21.6141 0.16998E-02 -2.7696 51 FeCl+ 0.67695E-07 -7.1694 0.36352E-07 -7.4395 0.53700E+00 -0.2700 52 FeCl2,aq 0.21280E-08 -8.6720 0.21280E-08 -8.6720 0.10000E+01 0.0000 53 FeCl+2 0.82037E-18 -18.0860 0.44548E-19 -19.3512 0.54303E-01 -1.2652 54 FeO,aq 0.67366E-12 -12.1716 0.67366E-12 -12.1716 0.10000E+01 0.0000 55 FeOH+ 0.61664E-09 -9.2100 0.33114E-09 -9.4800 0.53700E+00 -0.2700 56 HFeO2- 0.13569E-14 -14.8675 0.69411E-15 -15.1586 0.51154E+00 -0.2911 57 FeO+ 0.20763E-13 -13.6827 0.11150E-13 -13.9527 0.53700E+00 -0.2700 58 FeOH+2 0.31305E-15 -15.5044 0.16999E-16 -16.7696 0.54303E-01 -1.2652 59 FeO2- 0.74260E-15 -15.1292 0.37987E-15 -15.4204 0.51154E+00 -0.2911 60 HFeO2,aq 0.70050E-13 -13.1546 0.70050E-13 -13.1546 0.10000E+01 0.0000 61 H2,aq 0.32233E-04 -4.4917 0.29138E-04 -4.5355 0.90397E+00 -0.0438 62 KCl,aq 0.21372E-02 -2.6702 0.21372E-02 -2.6702 0.10000E+01 0.0000 63 KHSO4,aq 0.69089E-13 -13.1606 0.69089E-13 -13.1606 0.10000E+01 0.0000 64 KOH,aq 0.13303E-07 -7.8760 0.13303E-07 -7.8760 0.10000E+01 0.0000 65 KSO4- 0.91706E-10 -10.0376 0.46912E-10 -10.3287 0.51154E+00 -0.2911 66 MgCO3,aq 0.17627E-09 -9.7538 0.17627E-09 -9.7538 0.10000E+01 0.0000 67 Mg(HCO3)+ 0.34439E-05 -5.4629 0.18494E-05 -5.7330 0.53700E+00 -0.2700 68 MgCl+ 0.20238E-03 -3.6938 0.10868E-03 -3.9639 0.53700E+00 -0.2700 69 MgOH+ 0.80746E-07 -7.0929 0.43361E-07 -7.3629 0.53700E+00 -0.2700 70 NaCl,aq 0.81079E-01 -1.0911 0.81079E-01 -1.0911 0.10000E+01 0.0000 71 NaOH,aq 0.49193E-07 -7.3081 0.49193E-07 -7.3081 0.10000E+01 0.0000 73 OH- 0.36566E-06 -6.4369 0.17647E-06 -6.7533 0.48260E+00 -0.3164 76 PbCl+ 0.21144E-07 -7.6748 0.11354E-07 -7.9448 0.53700E+00 -0.2700 77 PbCl2,aq 0.67957E-07 -7.1678 0.67957E-07 -7.1678 0.10000E+01 0.0000 78 PbCl3- 0.32346E-07 -7.4902 0.16546E-07 -7.7813 0.51154E+00 -0.2911 79 PbCl4-2 0.16173E-07 -7.7912 0.97861E-09 -9.0094 0.60511E-01 -1.2182 80 PbO,aq 0.23513E-12 -12.6287 0.23513E-12 -12.6287 0.10000E+01 0.0000 81 HPbO2- 0.33836E-17 -17.4706 0.17308E-17 -17.7617 0.51154E+00 -0.2911 82 Pb(HS)2,aq 0.70088E-06 -6.1544 0.70088E-06 -6.1544 0.10000E+01 0.0000 83 Pb(HS)3- 0.20591E-08 -8.6863 0.10533E-08 -8.9774 0.51154E+00 -0.2911 84 H2S,aq 0.25674E-01 -1.5905 0.23208E-01 -1.6344 0.90397E+00 -0.0438 85 S2-2 0.20370E-10 -10.6910 0.12326E-11 -11.9092 0.60511E-01 -1.2182 86 S3-2 0.26248E-12 -12.5809 0.15883E-13 -13.7991 0.60511E-01 -1.2182 87 S3- 0.59422E-10 -10.2261 0.30397E-10 -10.5172 0.51154E+00 -0.2911 88 S4-2 0.24480E-14 -14.6112 0.14813E-15 -15.8294 0.60511E-01 -1.2182 89 S5-2 0.16757E-16 -16.7758 0.10140E-17 -17.9940 0.60511E-01 -1.2182 90 SO2,aq 0.63807E-12 -12.1951 0.63807E-12 -12.1951 0.10000E+01 0.0000 91 SO3-2 0.18635E-15 -15.7297 0.14106E-16 -16.8506 0.75695E-01 -1.1209 92 HSO3- 0.12782E-11 -11.8934 0.65387E-12 -12.1845 0.51154E+00 -0.2911 93 HSO4- 0.45539E-10 -10.3416 0.24813E-10 -10.6053 0.54487E+00 -0.2637 95 S2O3-2 0.62328E-13 -13.2053 0.37715E-14 -14.4235 0.60511E-01 -1.2182 96 HS2O3- 0.11606E-14 -14.9353 0.59369E-15 -15.2264 0.51154E+00 -0.2911 97 H2S2O3,aq 0.36009E-17 -17.4436 0.36009E-17 -17.4436 0.10000E+01 0.0000 107 ZnCl+ 0.14901E-05 -5.8268 0.80021E-06 -6.0968 0.53700E+00 -0.2700 108 ZnCl2,aq 0.25107E-06 -6.6002 0.25107E-06 -6.6002 0.10000E+01 0.0000 109 ZnCl3- 0.17785E-07 -7.7499 0.90979E-08 -8.0411 0.51154E+00 -0.2911 110 ZnO,aq 0.12948E-11 -11.8878 0.12948E-11 -11.8878 0.10000E+01 0.0000 111 ZnOH+ 0.89921E-08 -8.0461 0.48288E-08 -8.3162 0.53700E+00 -0.2700 113 HZnO2- 0.13904E-15 -15.8569 0.71124E-16 -16.1480 0.51154E+00 -0.2911 Charge balance for all species = 0.1436E-04 Component Molality Aq.molality ppm log[A(N)/A(H+)**Z] (total) 1 H+ 0.1105274E-03 0.1627709E+00 0.1566571E+03 0.0000 2 H2O 0.1000000E+01 0.5537277E+02 0.9525249E+06 0.0000 3 Cl- 0.5655461E+00 0.6614217E+00 0.2239082E+05 3.7102 4 SO4-- 0.1898202E-09 -.1475582E-02 -.1353480E+03 -2.4261 5 HCO3- 0.3690560E-03 0.1389300E+00 0.8094442E+04 0.5398 6 HS- 0.1388005E-03 0.2728949E-01 0.8617761E+03 0.1017 7 H4SiO4 0.5789844E-02 0.5790649E-02 0.5314456E+03 -2.2373 8 Ca++ 0.1793347E-01 0.2985586E-01 0.1142547E+04 5.5003 9 Mg++ 0.6591643E-03 0.8650690E-03 0.2008214E+02 4.0255 10 Fe++ 0.1684658E-06 0.2389061E-06 0.1273989E-01 0.4431 11 K+ 0.7784678E-01 0.7998400E-01 0.2986350E+04 2.8682 12 Na+ 0.4394223E+00 0.5205018E+00 0.1142605E+05 3.6019 13 Zn++ 0.2978660E-08 0.1770960E-05 0.1105416E+00 -1.3094 14 Cu+ 0.1004241E-10 0.8464075E-07 0.5135294E-02 -7.0397 15 Pb++ 0.1414641E-08 0.8419732E-06 0.1665734E+00 -1.5790 Component Tot moles Aq. moles Solid moles Gas moles 1 H+ 0.1632321E+00 0.1632303E+00 0.1812256E-05 0.0000000E+00 2 H2O 0.5550825E+02 0.5552904E+02 -.2079284E-01 0.0000000E+00 3 Cl- 0.6632884E+00 0.6632884E+00 0.0000000E+00 0.0000000E+00 4 SO4-- -.1473305E-02 -.1479746E-02 0.6441021E-05 0.0000000E+00 5 HCO3- 0.1393221E+00 0.1393221E+00 0.0000000E+00 0.0000000E+00 6 HS- 0.2741622E-01 0.2736651E-01 0.4971591E-04 0.0000000E+00 7 H4SiO4 0.1619053E-01 0.5806992E-02 0.1038354E-01 0.0000000E+00 8 Ca++ 0.2994012E-01 0.2994012E-01 0.0000000E+00 0.0000000E+00 9 Mg++ 0.8675104E-03 0.8675104E-03 0.0000000E+00 0.0000000E+00 10 Fe++ 0.2604518E-04 0.2395804E-06 0.2580560E-04 0.0000000E+00 11 K+ 0.8020973E-01 0.8020973E-01 0.0000000E+00 0.0000000E+00 12 Na+ 0.5219708E+00 0.5219708E+00 0.0000000E+00 0.0000000E+00 13 Zn++ 0.5000000E-05 0.1775958E-05 0.3224042E-05 0.0000000E+00 14 Cu+ 0.5000000E-06 0.8487962E-07 0.4151204E-06 0.0000000E+00 15 Pb++ 0.2000000E-05 0.8443494E-06 0.1155651E-05 0.0000000E+00 Chg. balance for solid moles: -.7623E-20 Mass of aqueous solution: 0.105023E+04 g Temperature = 220.00 C Pressure = 500.00 bar Mixer frac. = 0.0000000 Log Log Vol Gas or mineral Moles Moles Grams Grams Wt.% (cm3) pyrite 0.2572E-04 -4.590 0.3086E-02 -2.511 0.4918 0.6158E-03 quartz 0.1038E-01 -1.984 0.6238 -0.205 99.41 0.2356 bornite 0.8302E-07 -7.081 0.4166E-04 -4.380 0.6639E-02 0.8196E-05 galena 0.1156E-05 -5.937 0.2765E-03 -3.558 0.4406E-01 0.3639E-04 sphalerite 0.3224E-05 -5.492 0.3141E-03 -3.503 0.5005E-01 0.7682E-04 Partial press. Fugacity coef Log fugacity Gas or Mineral Mole fraction or activity Activity coef Log activity pyrite 0.1000E+01 0.1000E+01 1.0000 0.000 quartz 0.1000E+01 0.1000E+01 1.0000 0.000 bornite 0.1000E+01 0.1000E+01 1.0000 0.000 galena 0.1000E+01 0.1000E+01 1.0000 0.000 sphalerite 0.1000E+01 0.1000E+01 1.0000 0.000 Solid products produced: Mass = 0.627561 g Volume = 0.236327 cm3 WARNING: mineral volume may be in error because some mineral densities were not supplied in SOLTHERM. See mineral list in file Skip_Species.txt. Gas composition at saturation ( 4 iterations) ------------------------------------------------- Temperature: 220.0000 deg.C Sat. pressure: 63.6070 bar Gas Mole fraction phi Fugacity Partial P(bar) H2O,gas 0.5419E+00 0.7389 0.2547E+02 0.3447E+02 CO2,gas 0.4154E+00 0.9723 0.2569E+02 0.2642E+02 CH4,gas 0.2138E-01 1.1475 0.1561E+01 0.1360E+01 H2,gas 0.3486E-03 1.0259 0.2275E-01 0.2217E-01 H2S,gas 0.2094E-01 0.8988 0.1197E+01 0.1332E+01 S2,gas 0.1170E-11 1.0000 0.7443E-10 0.7443E-10 CO,gas 0.2304E-05 1.0000 0.1465E-03 0.1465E-03 SO3,gas 0.3780E-27 1.0000 0.2405E-25 0.2405E-25 O2,gas 0.6833E-42 1.0000 0.4346E-40 0.4346E-40 SO2,gas 0.1653E-12 1.0000 0.1052E-10 0.1052E-10 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 70 pyrite -19.10 -19.10 0.00 0.000 -0.80170E-11 73 quartz -2.22 -2.22 0.00 0.000 0.00000E+00 98 bornite -69.71 -69.71 0.00 0.000 -0.32068E-10 118 galena -9.97 -9.97 0.00 0.000 0.00000E+00 128 sphalerite -9.71 -9.71 0.00 0.000 -0.40085E-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 1.28 -0.01 -1.29 -1.293 0.29176E+04 1.406 2 CO2,gas -6.66 -7.95 -1.29 -0.430 0.29092E+04 1.410 3 CH4,gas 5.56 3.06 -2.51 -0.626 0.56541E+04 0.193 4 H2,gas 7.09 2.75 -4.34 -2.481 0.97981E+04 -1.643 5 H2S,gas -5.77 -8.40 -2.62 -1.310 0.59143E+04 0.078 6 S2,gas -9.46 -22.29 -12.83 -1.973 0.28946E+05 -10.128 7 CO,gas 1.34 -5.19 -6.53 -2.010 0.14742E+05 -3.834 8 SO3,gas 8.91 -19.41 -28.32 -7.079 0.63901E+05 -25.619 9 O2,gas 37.55 -5.51 -43.06 -28.707 0.97170E+05 -40.362 10 SO2,gas -2.98 -16.66 -13.68 -3.647 0.30863E+05 -10.978 11 HCl,gas 0.26 -4.79 -5.05 -2.525 0.11396E+05 -5.050 21 aragonite -0.43 -2.46 -2.03 -0.675 0.45700E+04 23 calcite -0.57 -2.46 -1.89 -0.628 0.42539E+04 28 coesite -1.75 -2.22 -0.47 -0.158 0.10673E+04 30 cristobalite -1.95 -2.22 -0.27 -0.089 0.60386E+03 34 diamond -1.99 -2.44 -0.45 -0.129 0.10153E+04 37 dolomite,ordered -2.51 -6.39 -3.88 -0.647 0.87576E+04 45 goethite 4.05 -0.95 -5.00 -1.080 0.11274E+05 46 graphite -2.37 -2.44 -0.07 -0.020 0.16054E+03 49 halite 1.27 -1.19 -2.45 -1.226 0.55321E+04 56 magnesite -1.24 -3.93 -2.69 -0.898 0.60793E+04 71 pyrrhotite -5.22 -7.95 -2.73 -0.910 0.61635E+04 72 pyrrhotiteFe0.875 -6.47 -8.35 -1.88 -0.690 0.42334E+04 78 siderite -3.77 -7.51 -3.75 -1.249 0.84583E+04 80 stishovite 2.28 -2.22 -4.50 -1.498 0.10144E+05 81 sulfur -8.49 -11.14 -2.66 -0.817 0.59954E+04 82 sylvite 1.33 -1.92 -3.25 -1.626 0.73393E+04 88 tridymite -1.98 -2.22 -0.24 -0.081 0.54582E+03 91 troilite-low -5.27 -7.95 -2.69 -0.896 0.60637E+04 96 wollastonite 7.67 3.27 -4.40 -0.880 0.99269E+04 97 pseudo-wollastonite 8.02 3.27 -4.75 -0.949 0.10712E+05 100 chalcedony -2.08 -2.22 -0.14 -0.047 0.31872E+03 101 chalcocite -21.05 -22.48 -1.43 -0.356 0.32164E+04 102 covellite -15.65 -16.81 -1.16 -0.440 0.26089E+04 114 chalcopyrite -24.20 -24.76 -0.56 -0.104 0.12597E+04 115 copper,native -1.27 -5.67 -4.39 -1.528 0.99162E+04 116 dolomite,disordered -2.13 -6.39 -4.26 -0.710 0.96182E+04 125 silica-amorphous -1.62 -2.22 -0.60 -0.201 0.13585E+04 129 wurtzite -8.32 -9.71 -1.38 -0.461 0.31230E+04 Calculations done for 220.0000 Deg. C; 500.0000 bar Temperature changed by -5.000 degrees to 215.000 degrees C. Solids and gases carried ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ Test file for CHIM-XPT. Japanese Geothermal Water. Cooling only. See running notes, below. CHIMRUN demo-1 ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ Number of loops used = 10 Loop limit = 470 Temperature = 215.00 C Pressure = 500.00 bar Mixer fraction = 0.0000000 Water: Moles liquid = 0.5567E+02 kg liquid = 0.1003E+01 Moles total = 0.5551E+02 kg total = 0.1000E+01 Activity = 0.9797 Stoichiometric ionic strength = .7744410E+00 Osmotic coef. = 0.8661 True ionic strength = .5887278E+00 Chg. balance for total moles = 0.1440E-04 Max. difference allowed = 0.6633E-04 Log Log Log Species(n) Molality Molality Activity Activity Gamma Gamma 1 H+ 0.11814E-03 -3.9276 0.60948E-04 -4.2150 0.51588E+00 -0.2874 2 H2O 0.97965E+00 -0.0089 0.97965E+00 -0.0089 3 Cl- 0.56906E+00 -0.2448 0.29440E+00 -0.5311 0.51734E+00 -0.2862 4 SO4-- 0.18678E-09 -9.7287 0.12200E-10 -10.9136 0.65319E-01 -1.1850 5 HCO3- 0.38083E-03 -3.4193 0.20367E-03 -3.6911 0.53480E+00 -0.2718 6 HS- 0.13695E-03 -3.8635 0.71105E-04 -4.1481 0.51922E+00 -0.2846 7 H4SiO4 0.54891E-02 -2.2605 0.54891E-02 -2.2605 0.10000E+01 0.0000 8 Ca++ 0.18478E-01 -1.7333 0.10814E-02 -2.9660 0.58523E-01 -1.2327 9 Mg++ 0.66738E-03 -3.1756 0.35728E-04 -4.4470 0.53535E-01 -1.2714 10 Fe++ 0.14868E-06 -6.8277 0.81398E-08 -8.0894 0.54745E-01 -1.2617 11 K+ 0.77995E-01 -1.1079 0.42101E-01 -1.3757 0.53980E+00 -0.2678 12 Na+ 0.44219E+00 -0.3544 0.22937E+00 -0.6395 0.51871E+00 -0.2851 13 Zn++ 0.31002E-08 -8.5086 0.16972E-09 -9.7703 0.54745E-01 -1.2617 14 Cu+ 0.82900E-11 -11.0814 0.42950E-11 -11.3670 0.51809E+00 -0.2856 15 Pb++ 0.13273E-08 -8.8770 0.81887E-10 -10.0868 0.61694E-01 -1.2098 16 HSiO3- 0.34048E-06 -6.4679 0.17615E-06 -6.7541 0.51734E+00 -0.2862 17 Ca(HSiO3)+ 0.64318E-07 -7.1917 0.34861E-07 -7.4577 0.54201E+00 -0.2660 18 Mg(HSiO3)+ 0.16715E-08 -8.7769 0.90599E-09 -9.0429 0.54201E+00 -0.2660 19 NaHSiO3,aq 0.31723E-06 -6.4986 0.31723E-06 -6.4986 0.10000E+01 0.0000 20 CH4,aq 0.14689E-02 -2.8330 0.13267E-02 -2.8772 0.90321E+00 -0.0442 21 C2H6,aq 0.40642E-08 -8.3910 0.36708E-08 -8.4352 0.90321E+00 -0.0442 22 C3H8,aq 0.75609E-13 -13.1214 0.68291E-13 -13.1656 0.90321E+00 -0.0442 23 C4H10,aq 0.13470E-17 -17.8706 0.12166E-17 -17.9148 0.90321E+00 -0.0442 24 ethanol,aq 0.10614E-12 -12.9741 0.95865E-13 -13.0183 0.90321E+00 -0.0442 25 CO,aq 0.15120E-06 -6.8204 0.15120E-06 -6.8204 0.10000E+01 0.0000 26 CO2,aq 0.13697E+00 -0.8634 0.12371E+00 -0.9076 0.90321E+00 -0.0442 27 CO3-2 0.27579E-08 -8.5594 0.17381E-09 -9.7599 0.63024E-01 -1.2005 28 CaCO3,aq 0.42266E-07 -7.3740 0.42266E-07 -7.3740 0.10000E+01 0.0000 29 Ca(HCO3)+ 0.10724E-03 -3.9697 0.58123E-04 -4.2356 0.54201E+00 -0.2660 30 CaCl+ 0.10686E-01 -1.9712 0.57922E-02 -2.2372 0.54201E+00 -0.2660 31 CaCl2,aq 0.58287E-03 -3.2344 0.58287E-03 -3.2344 0.10000E+01 0.0000 32 CaOH+ 0.59854E-06 -6.2229 0.32442E-06 -6.4889 0.54201E+00 -0.2660 33 CaSO4,aq 0.30193E-10 -10.5201 0.30193E-10 -10.5201 0.10000E+01 0.0000 34 HCl,aq 0.16605E-04 -4.7797 0.16605E-04 -4.7797 0.10000E+01 0.0000 38 Cu+2 0.18313E-16 -16.7373 0.10385E-17 -17.9836 0.56710E-01 -1.2463 39 CuCl+ 0.22670E-16 -16.6445 0.12287E-16 -16.9105 0.54201E+00 -0.2660 40 CuCl2,aq 0.21811E-17 -17.6613 0.21811E-17 -17.6613 0.10000E+01 0.0000 41 CuCl3- 0.29257E-19 -19.5338 0.15136E-19 -19.8200 0.51734E+00 -0.2862 43 CuCl,aq 0.63453E-08 -8.1975 0.63453E-08 -8.1975 0.10000E+01 0.0000 44 CuCl2- 0.59997E-07 -7.2219 0.31039E-07 -7.5081 0.51734E+00 -0.2862 45 CuCl3-2 0.42852E-08 -8.3680 0.27007E-09 -9.5685 0.63024E-01 -1.2005 46 CuO,aq 0.36268E-19 -19.4405 0.36268E-19 -19.4405 0.10000E+01 0.0000 47 CuOH+ 0.43978E-18 -18.3568 0.23837E-18 -18.6228 0.54201E+00 -0.2660 50 Fe+3 0.12836E-18 -18.8916 0.23937E-21 -21.6209 0.18648E-02 -2.7294 51 FeCl+ 0.56184E-07 -7.2504 0.30453E-07 -7.5164 0.54201E+00 -0.2660 52 FeCl2,aq 0.13215E-08 -8.8789 0.13215E-08 -8.8789 0.10000E+01 0.0000 53 FeCl+2 0.70653E-18 -18.1509 0.40068E-19 -19.3972 0.56710E-01 -1.2463 54 FeO,aq 0.40417E-12 -12.3934 0.40417E-12 -12.3934 0.10000E+01 0.0000 55 FeOH+ 0.45784E-09 -9.3393 0.24816E-09 -9.6053 0.54201E+00 -0.2660 56 HFeO2- 0.72254E-15 -15.1411 0.37380E-15 -15.4274 0.51734E+00 -0.2862 57 FeO+ 0.15087E-13 -13.8214 0.81775E-14 -14.0874 0.54201E+00 -0.2660 58 FeOH+2 0.24815E-15 -15.6053 0.14073E-16 -16.8516 0.56710E-01 -1.2463 59 FeO2- 0.38141E-15 -15.4186 0.19732E-15 -15.7048 0.51734E+00 -0.2862 60 HFeO2,aq 0.43826E-13 -13.3583 0.43826E-13 -13.3583 0.10000E+01 0.0000 61 H2,aq 0.26660E-04 -4.5741 0.24080E-04 -4.6183 0.90321E+00 -0.0442 62 KCl,aq 0.19884E-02 -2.7015 0.19884E-02 -2.7015 0.10000E+01 0.0000 63 KHSO4,aq 0.57277E-13 -13.2420 0.57277E-13 -13.2420 0.10000E+01 0.0000 64 KOH,aq 0.11323E-07 -7.9460 0.11323E-07 -7.9460 0.10000E+01 0.0000 65 KSO4- 0.85665E-10 -10.0672 0.44318E-10 -10.3534 0.51734E+00 -0.2862 66 MgCO3,aq 0.17063E-09 -9.7679 0.17063E-09 -9.7679 0.10000E+01 0.0000 67 Mg(HCO3)+ 0.33414E-05 -5.4761 0.18111E-05 -5.7421 0.54201E+00 -0.2660 68 MgCl+ 0.19427E-03 -3.7116 0.10530E-03 -3.9776 0.54201E+00 -0.2660 69 MgOH+ 0.65801E-07 -7.1818 0.35665E-07 -7.4478 0.54201E+00 -0.2660 70 NaCl,aq 0.78305E-01 -1.1062 0.78305E-01 -1.1062 0.10000E+01 0.0000 71 NaOH,aq 0.42557E-07 -7.3710 0.42557E-07 -7.3710 0.10000E+01 0.0000 73 OH- 0.31841E-06 -6.4970 0.15581E-06 -6.8074 0.48934E+00 -0.3104 76 PbCl+ 0.18742E-07 -7.7272 0.10158E-07 -7.9932 0.54201E+00 -0.2660 77 PbCl2,aq 0.57895E-07 -7.2374 0.57895E-07 -7.2374 0.10000E+01 0.0000 78 PbCl3- 0.26870E-07 -7.5707 0.13901E-07 -7.8569 0.51734E+00 -0.2862 79 PbCl4-2 0.13357E-07 -7.8743 0.84183E-09 -9.0748 0.63024E-01 -1.2005 80 PbO,aq 0.16426E-12 -12.7845 0.16426E-12 -12.7845 0.10000E+01 0.0000 81 HPbO2- 0.21641E-17 -17.6647 0.11196E-17 -17.9510 0.51734E+00 -0.2862 82 Pb(HS)2,aq 0.65630E-06 -6.1829 0.65630E-06 -6.1829 0.10000E+01 0.0000 83 Pb(HS)3- 0.18232E-08 -8.7392 0.94320E-09 -9.0254 0.51734E+00 -0.2862 84 H2S,aq 0.25675E-01 -1.5905 0.23190E-01 -1.6347 0.90321E+00 -0.0442 85 S2-2 0.19116E-10 -10.7186 0.12048E-11 -11.9191 0.63024E-01 -1.2005 86 S3-2 0.27487E-12 -12.5609 0.17323E-13 -13.7614 0.63024E-01 -1.2005 87 S3- 0.58348E-10 -10.2340 0.30186E-10 -10.5202 0.51734E+00 -0.2862 88 S4-2 0.28513E-14 -14.5450 0.17970E-15 -15.7454 0.63024E-01 -1.2005 89 S5-2 0.21642E-16 -16.6647 0.13639E-17 -17.8652 0.63024E-01 -1.2005 90 SO2,aq 0.49512E-12 -12.3053 0.49512E-12 -12.3053 0.10000E+01 0.0000 91 SO3-2 0.16286E-15 -15.7882 0.12756E-16 -16.8943 0.78324E-01 -1.1061 92 HSO3- 0.10695E-11 -11.9708 0.55328E-12 -12.2571 0.51734E+00 -0.2862 93 HSO4- 0.42252E-10 -10.3742 0.23230E-10 -10.6340 0.54979E+00 -0.2598 95 S2O3-2 0.61706E-13 -13.2097 0.38890E-14 -14.4102 0.63024E-01 -1.2005 96 HS2O3- 0.11275E-14 -14.9479 0.58333E-15 -15.2341 0.51734E+00 -0.2862 97 H2S2O3,aq 0.34945E-17 -17.4566 0.34945E-17 -17.4566 0.10000E+01 0.0000 107 ZnCl+ 0.13218E-05 -5.8788 0.71645E-06 -6.1448 0.54201E+00 -0.2660 108 ZnCl2,aq 0.21701E-06 -6.6635 0.21701E-06 -6.6635 0.10000E+01 0.0000 109 ZnCl3- 0.15305E-07 -7.8152 0.79179E-08 -8.1014 0.51734E+00 -0.2862 110 ZnO,aq 0.94244E-12 -12.0257 0.94244E-12 -12.0257 0.10000E+01 0.0000 111 ZnOH+ 0.74803E-08 -8.1261 0.40544E-08 -8.3921 0.54201E+00 -0.2660 113 HZnO2- 0.90014E-16 -16.0457 0.46568E-16 -16.3319 0.51734E+00 -0.2862 Charge balance for all species = 0.1436E-04 Component Molality Aq.molality ppm log[A(N)/A(H+)**Z] (total) 1 H+ 0.1181432E-03 0.1627695E+00 0.1566601E+03 0.0000 2 H2O 0.1000000E+01 0.5537278E+02 0.9525517E+06 0.0000 3 Cl- 0.5690561E+00 0.6614146E+00 0.2239121E+05 3.6840 4 SO4-- 0.1867769E-09 -.1475574E-02 -.1353510E+03 -2.4836 5 HCO3- 0.3808273E-03 0.1389285E+00 0.8094582E+04 0.5240 6 HS- 0.1369454E-03 0.2728886E-01 0.8617805E+03 0.0669 7 H4SiO4 0.5489138E-02 0.5489862E-02 0.5038545E+03 -2.2605 8 Ca++ 0.1847834E-01 0.2985554E-01 0.1142567E+04 5.4641 9 Mg++ 0.6673781E-03 0.8650598E-03 0.2008249E+02 3.9831 10 Fe++ 0.1486846E-06 0.2066489E-06 0.1102005E-01 0.3407 11 K+ 0.7799472E-01 0.7998314E-01 0.2986401E+04 2.8393 12 Na+ 0.4421911E+00 0.5204963E+00 0.1142625E+05 3.5756 13 Zn++ 0.3100201E-08 0.1564740E-05 0.9767227E-01 -1.3402 14 Cu+ 0.8289960E-11 0.7063550E-07 0.4285692E-02 -7.1520 15 Pb++ 0.1327311E-08 0.7763125E-06 0.1535876E+00 -1.6567 Component Tot moles Aq. moles Solid moles Gas moles 1 H+ 0.1632321E+00 0.1632306E+00 0.1538942E-05 0.0000000E+00 2 H2O 0.5550825E+02 0.5552965E+02 -.2139602E-01 0.0000000E+00 3 Cl- 0.6632884E+00 0.6632884E+00 0.0000000E+00 0.0000000E+00 4 SO4-- -.1473305E-02 -.1479754E-02 0.6448757E-05 0.0000000E+00 5 HCO3- 0.1393221E+00 0.1393221E+00 0.0000000E+00 0.0000000E+00 6 HS- 0.2741622E-01 0.2736617E-01 0.5005111E-04 0.0000000E+00 7 H4SiO4 0.1619053E-01 0.5505414E-02 0.1068511E-01 0.0000000E+00 8 Ca++ 0.2994012E-01 0.2994012E-01 0.0000000E+00 0.0000000E+00 9 Mg++ 0.8675104E-03 0.8675104E-03 0.0000000E+00 0.0000000E+00 10 Fe++ 0.2604518E-04 0.2072343E-06 0.2583794E-04 0.0000000E+00 11 K+ 0.8020973E-01 0.8020973E-01 0.0000000E+00 0.0000000E+00 12 Na+ 0.5219708E+00 0.5219708E+00 0.0000000E+00 0.0000000E+00 13 Zn++ 0.5000000E-05 0.1569172E-05 0.3430828E-05 0.0000000E+00 14 Cu+ 0.5000000E-06 0.7083561E-07 0.4291644E-06 0.0000000E+00 15 Pb++ 0.2000000E-05 0.7785117E-06 0.1221488E-05 0.0000000E+00 Chg. balance for solid moles: 0.0000E+00 Mass of aqueous solution: 0.105021E+04 g Temperature = 215.00 C Pressure = 500.00 bar Mixer frac. = 0.0000000 Log Log Vol Gas or mineral Moles Moles Grams Grams Wt.% (cm3) pyrite 0.2575E-04 -4.589 0.3090E-02 -2.510 0.4785 0.6165E-03 quartz 0.1069E-01 -1.971 0.6420 -0.192 99.42 0.2424 bornite 0.8583E-07 -7.066 0.4307E-04 -4.366 0.6670E-02 0.8474E-05 galena 0.1221E-05 -5.913 0.2922E-03 -3.534 0.4526E-01 0.3846E-04 sphalerite 0.3431E-05 -5.465 0.3343E-03 -3.476 0.5177E-01 0.8175E-04 Partial press. Fugacity coef Log fugacity Gas or Mineral Mole fraction or activity Activity coef Log activity pyrite 0.1000E+01 0.1000E+01 1.0000 0.000 quartz 0.1000E+01 0.1000E+01 1.0000 0.000 bornite 0.1000E+01 0.1000E+01 1.0000 0.000 galena 0.1000E+01 0.1000E+01 1.0000 0.000 sphalerite 0.1000E+01 0.1000E+01 1.0000 0.000 Solid products produced: Mass = 0.645721 g Volume = 0.243178 cm3 WARNING: mineral volume may be in error because some mineral densities were not supplied in SOLTHERM. See mineral list in file Skip_Species.txt. Gas composition at saturation ( 4 iterations) ------------------------------------------------- Temperature: 215.0000 deg.C Sat. pressure: 61.2467 bar Gas Mole fraction phi Fugacity Partial P(bar) H2O,gas 0.5122E+00 0.7434 0.2332E+02 0.3137E+02 CO2,gas 0.4417E+00 0.9692 0.2622E+02 0.2706E+02 CH4,gas 0.2371E-01 1.1365 0.1650E+01 0.1452E+01 H2,gas 0.3137E-03 1.0252 0.1970E-01 0.1921E-01 H2S,gas 0.2206E-01 0.8992 0.1215E+01 0.1351E+01 S2,gas 0.1084E-11 1.0000 0.6639E-10 0.6639E-10 CO,gas 0.2092E-05 1.0000 0.1281E-03 0.1281E-03 SO3,gas 0.2233E-27 1.0000 0.1368E-25 0.1368E-25 O2,gas 0.2353E-42 1.0000 0.1441E-40 0.1441E-40 SO2,gas 0.1324E-12 1.0000 0.8111E-11 0.8111E-11 NON-Ideal mixing with H2O, CO2, CH4 Gases ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ The following gases and minerals are presently in matrix or were just added Gas or Mineral Log K Log Q Log(Q/K) Log(Q/K)/S Affinity Log Fugacity 70 pyrite -19.12 -19.12 0.00 0.000 0.00000E+00 73 quartz -2.24 -2.24 0.00 0.000 0.00000E+00 98 bornite -70.24 -70.24 0.00 0.000 0.00000E+00 118 galena -10.02 -10.02 0.00 0.000 0.00000E+00 128 sphalerite -9.70 -9.70 -0.00 -0.000 0.39678E-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 1.32 -0.01 -1.33 -1.331 0.29735E+04 1.368 2 CO2,gas -6.62 -7.90 -1.28 -0.427 0.28598E+04 1.419 3 CH4,gas 5.55 3.07 -2.48 -0.620 0.55428E+04 0.218 4 H2,gas 7.14 2.74 -4.40 -2.517 0.98385E+04 -1.706 5 H2S,gas -5.75 -8.36 -2.61 -1.307 0.58399E+04 0.085 6 S2,gas -9.32 -22.20 -12.88 -1.981 0.28763E+05 -10.178 7 CO,gas 1.44 -5.15 -6.59 -2.028 0.14723E+05 -3.892 8 SO3,gas 9.23 -19.33 -28.56 -7.141 0.63801E+05 -25.864 9 O2,gas 38.05 -5.49 -43.54 -29.027 0.97256E+05 -40.841 10 SO2,gas -2.80 -16.59 -13.79 -3.677 0.30802E+05 -11.091 11 HCl,gas 0.37 -4.75 -5.12 -2.560 0.11437E+05 -5.120 21 aragonite -0.37 -2.44 -2.08 -0.692 0.46350E+04 23 calcite -0.51 -2.44 -1.93 -0.645 0.43220E+04 28 coesite -1.77 -2.24 -0.48 -0.159 0.10656E+04 30 cristobalite -1.97 -2.24 -0.27 -0.091 0.61069E+03 34 diamond -2.02 -2.41 -0.39 -0.111 0.87110E+03 37 dolomite,ordered -2.37 -6.37 -3.99 -0.666 0.89193E+04 46 graphite -2.40 -2.41 -0.01 -0.003 0.20957E+02 49 halite 1.29 -1.17 -2.46 -1.229 0.54925E+04 56 magnesite -1.16 -3.92 -2.76 -0.922 0.61756E+04 71 pyrrhotite -5.17 -8.02 -2.85 -0.951 0.63747E+04 72 pyrrhotiteFe0.875 -6.44 -8.40 -1.97 -0.724 0.43971E+04 78 siderite -3.71 -7.57 -3.86 -1.285 0.86137E+04 80 stishovite 2.29 -2.24 -4.53 -1.511 0.10123E+05 81 sulfur -8.49 -11.10 -2.61 -0.804 0.58396E+04 82 sylvite 1.35 -1.91 -3.26 -1.628 0.72708E+04 88 tridymite -2.00 -2.24 -0.25 -0.082 0.55154E+03 91 troilite-low -5.22 -8.02 -2.81 -0.935 0.62685E+04 96 wollastonite 7.77 3.21 -4.55 -0.911 0.10173E+05 97 pseudo-wollastonite 8.12 3.21 -4.91 -0.982 0.10964E+05 100 chalcedony -2.10 -2.24 -0.14 -0.048 0.31844E+03 101 chalcocite -21.25 -22.67 -1.42 -0.354 0.31639E+04 102 covellite -15.77 -16.88 -1.11 -0.424 0.24853E+04 114 chalcopyrite -24.30 -24.91 -0.60 -0.112 0.13495E+04 115 copper,native -1.33 -5.78 -4.45 -1.549 0.99463E+04 116 dolomite,disordered -1.98 -6.37 -4.39 -0.731 0.97949E+04 125 silica-amorphous -1.63 -2.24 -0.61 -0.204 0.13697E+04 129 wurtzite -8.31 -9.70 -1.40 -0.466 0.31232E+04 Calculations done for 215.0000 Deg. C; 500.0000 bar Temperature changed by -5.000 degrees to 210.000 degrees C. Solids and gases carried ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ Test file for CHIM-XPT. Japanese Geothermal Water. Cooling only. See running notes, below. CHIMRUN demo-1 ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ Number of loops used = 10 Loop limit = 470 Temperature = 210.00 C Pressure = 500.00 bar Mixer fraction = 0.0000000 Water: Moles liquid = 0.5567E+02 kg liquid = 0.1003E+01 Moles total = 0.5551E+02 kg total = 0.1000E+01 Activity = 0.9796 Stoichiometric ionic strength = .7744321E+00 Osmotic coef. = 0.8700 True ionic strength = .5926694E+00 Chg. balance for total moles = 0.1440E-04 Max. difference allowed = 0.6633E-04 Log Log Log Species(n) Molality Molality Activity Activity Gamma Gamma 1 H+ 0.12605E-03 -3.8995 0.65747E-04 -4.1821 0.52160E+00 -0.2827 2 H2O 0.97956E+00 -0.0090 0.97956E+00 -0.0090 3 Cl- 0.57245E+00 -0.2423 0.29945E+00 -0.5237 0.52310E+00 -0.2814 4 SO4-- 0.18382E-09 -9.7356 0.12484E-10 -10.9036 0.67915E-01 -1.1680 5 HCO3- 0.39297E-03 -3.4056 0.21223E-03 -3.6732 0.54006E+00 -0.2676 6 HS- 0.13502E-03 -3.8696 0.70873E-04 -4.1495 0.52493E+00 -0.2799 7 H4SiO4 0.51978E-02 -2.2842 0.51978E-02 -2.2842 0.10000E+01 0.0000 8 Ca++ 0.19009E-01 -1.7210 0.11599E-02 -2.9356 0.61015E-01 -1.2146 9 Mg++ 0.67527E-03 -3.1705 0.37810E-04 -4.4224 0.55993E-01 -1.2519 10 Fe++ 0.13027E-06 -6.8852 0.74529E-08 -8.1277 0.57211E-01 -1.2425 11 K+ 0.78134E-01 -1.1072 0.42568E-01 -1.3709 0.54481E+00 -0.2638 12 Na+ 0.44487E+00 -0.3518 0.23324E+00 -0.6322 0.52429E+00 -0.2804 13 Zn++ 0.32121E-08 -8.4932 0.18377E-09 -9.7357 0.57211E-01 -1.2425 14 Cu+ 0.67939E-11 -11.1679 0.35579E-11 -11.4488 0.52369E+00 -0.2809 15 Pb++ 0.12364E-08 -8.9079 0.79387E-10 -10.1002 0.64210E-01 -1.1924 16 HSiO3- 0.30362E-06 -6.5177 0.15882E-06 -6.7991 0.52310E+00 -0.2814 17 Ca(HSiO3)+ 0.55086E-07 -7.2590 0.30130E-07 -7.5210 0.54697E+00 -0.2620 18 Mg(HSiO3)+ 0.14388E-08 -8.8420 0.78699E-09 -9.1040 0.54697E+00 -0.2620 19 NaHSiO3,aq 0.28992E-06 -6.5377 0.28992E-06 -6.5377 0.10000E+01 0.0000 20 CH4,aq 0.14700E-02 -2.8327 0.13267E-02 -2.8772 0.90253E+00 -0.0445 21 C2H6,aq 0.40857E-08 -8.3887 0.36874E-08 -8.4333 0.90253E+00 -0.0445 22 C3H8,aq 0.79873E-13 -13.0976 0.72087E-13 -13.1421 0.90253E+00 -0.0445 23 C4H10,aq 0.14974E-17 -17.8247 0.13514E-17 -17.8692 0.90253E+00 -0.0445 24 ethanol,aq 0.10056E-12 -12.9976 0.90762E-13 -13.0421 0.90253E+00 -0.0445 25 CO,aq 0.12328E-06 -6.9091 0.12328E-06 -6.9091 0.10000E+01 0.0000 26 CO2,aq 0.13696E+00 -0.8634 0.12361E+00 -0.9080 0.90253E+00 -0.0445 27 CO3-2 0.27549E-08 -8.5599 0.18074E-09 -9.7430 0.65605E-01 -1.1831 28 CaCO3,aq 0.40436E-07 -7.3932 0.40436E-07 -7.3932 0.10000E+01 0.0000 29 Ca(HCO3)+ 0.10483E-03 -3.9795 0.57338E-04 -4.2416 0.54697E+00 -0.2620 30 CaCl+ 0.10197E-01 -1.9915 0.55776E-02 -2.2536 0.54697E+00 -0.2620 31 CaCl2,aq 0.54321E-03 -3.2650 0.54321E-03 -3.2650 0.10000E+01 0.0000 32 CaOH+ 0.48798E-06 -6.3116 0.26691E-06 -6.5736 0.54697E+00 -0.2620 33 CaSO4,aq 0.29494E-10 -10.5303 0.29494E-10 -10.5303 0.10000E+01 0.0000 34 HCl,aq 0.16648E-04 -4.7786 0.16648E-04 -4.7786 0.10000E+01 0.0000 38 Cu+2 0.17574E-16 -16.7551 0.10402E-17 -17.9829 0.59190E-01 -1.2278 39 CuCl+ 0.20455E-16 -16.6892 0.11188E-16 -16.9512 0.54697E+00 -0.2620 40 CuCl2,aq 0.18364E-17 -17.7360 0.18364E-17 -17.7360 0.10000E+01 0.0000 41 CuCl3- 0.23872E-19 -19.6221 0.12488E-19 -19.9035 0.52310E+00 -0.2814 43 CuCl,aq 0.52562E-08 -8.2793 0.52562E-08 -8.2793 0.10000E+01 0.0000 44 CuCl2- 0.49765E-07 -7.3031 0.26032E-07 -7.5845 0.52310E+00 -0.2814 45 CuCl3-2 0.35837E-08 -8.4457 0.23511E-09 -9.6287 0.65605E-01 -1.1831 46 CuO,aq 0.26483E-19 -19.5770 0.26483E-19 -19.5770 0.10000E+01 0.0000 47 CuOH+ 0.36210E-18 -18.4412 0.19806E-18 -18.7032 0.54697E+00 -0.2620 50 Fe+3 0.11406E-18 -18.9429 0.23305E-21 -21.6325 0.20433E-02 -2.6897 51 FeCl+ 0.46319E-07 -7.3342 0.25335E-07 -7.5963 0.54697E+00 -0.2620 52 FeCl2,aq 0.81165E-09 -9.0906 0.81165E-09 -9.0906 0.10000E+01 0.0000 53 FeCl+2 0.60274E-18 -18.2199 0.35676E-19 -19.4476 0.59190E-01 -1.2278 54 FeO,aq 0.24011E-12 -12.6196 0.24011E-12 -12.6196 0.10000E+01 0.0000 55 FeOH+ 0.33707E-09 -9.4723 0.18437E-09 -9.7343 0.54697E+00 -0.2620 56 HFeO2- 0.38084E-15 -15.4193 0.19922E-15 -15.7007 0.52310E+00 -0.2814 57 FeO+ 0.10844E-13 -13.9648 0.59312E-14 -14.2269 0.54697E+00 -0.2620 58 FeOH+2 0.19461E-15 -15.7108 0.11519E-16 -16.9386 0.59190E-01 -1.2278 59 FeO2- 0.19330E-15 -15.7138 0.10112E-15 -15.9952 0.52310E+00 -0.2814 60 HFeO2,aq 0.27083E-13 -13.5673 0.27083E-13 -13.5673 0.10000E+01 0.0000 61 H2,aq 0.21982E-04 -4.6579 0.19840E-04 -4.7025 0.90253E+00 -0.0445 62 KCl,aq 0.18488E-02 -2.7331 0.18488E-02 -2.7331 0.10000E+01 0.0000 63 KHSO4,aq 0.47368E-13 -13.3245 0.47368E-13 -13.3245 0.10000E+01 0.0000 64 KOH,aq 0.96162E-08 -8.0170 0.96162E-08 -8.0170 0.10000E+01 0.0000 65 KSO4- 0.80091E-10 -10.0964 0.41896E-10 -10.3778 0.52310E+00 -0.2814 66 MgCO3,aq 0.16528E-09 -9.7818 0.16528E-09 -9.7818 0.10000E+01 0.0000 67 Mg(HCO3)+ 0.32422E-05 -5.4892 0.17734E-05 -5.7512 0.54697E+00 -0.2620 68 MgCl+ 0.18649E-03 -3.7294 0.10200E-03 -3.9914 0.54697E+00 -0.2620 69 MgOH+ 0.53496E-07 -7.2717 0.29261E-07 -7.5337 0.54697E+00 -0.2620 70 NaCl,aq 0.75621E-01 -1.1214 0.75621E-01 -1.1214 0.10000E+01 0.0000 71 NaOH,aq 0.36752E-07 -7.4347 0.36752E-07 -7.4347 0.10000E+01 0.0000 73 OH- 0.27663E-06 -6.5581 0.13723E-06 -6.8626 0.49606E+00 -0.3045 76 PbCl+ 0.16504E-07 -7.7824 0.90272E-08 -8.0444 0.54697E+00 -0.2620 77 PbCl2,aq 0.49018E-07 -7.3096 0.49018E-07 -7.3096 0.10000E+01 0.0000 78 PbCl3- 0.22191E-07 -7.6538 0.11608E-07 -7.9352 0.52310E+00 -0.2814 79 PbCl4-2 0.10969E-07 -7.9598 0.71964E-09 -9.1429 0.65605E-01 -1.1831 80 PbO,aq 0.11371E-12 -12.9442 0.11371E-12 -12.9442 0.10000E+01 0.0000 81 HPbO2- 0.13695E-17 -17.8634 0.71640E-18 -18.1448 0.52310E+00 -0.2814 82 Pb(HS)2,aq 0.61291E-06 -6.2126 0.61291E-06 -6.2126 0.10000E+01 0.0000 83 Pb(HS)3- 0.16110E-08 -8.7929 0.84271E-09 -9.0743 0.52310E+00 -0.2814 84 H2S,aq 0.25676E-01 -1.5905 0.23174E-01 -1.6350 0.90253E+00 -0.0445 85 S2-2 0.17925E-10 -10.7465 0.11760E-11 -11.9296 0.65605E-01 -1.1831 86 S3-2 0.28800E-12 -12.5406 0.18895E-13 -13.7237 0.65605E-01 -1.1831 87 S3- 0.57359E-10 -10.2414 0.30004E-10 -10.5228 0.52310E+00 -0.2814 88 S4-2 0.33277E-14 -14.4779 0.21831E-15 -15.6609 0.65605E-01 -1.1831 89 S5-2 0.28042E-16 -16.5522 0.18397E-17 -17.7353 0.65605E-01 -1.1831 90 SO2,aq 0.38203E-12 -12.4179 0.38203E-12 -12.4179 0.10000E+01 0.0000 91 SO3-2 0.14194E-15 -15.8479 0.11498E-16 -16.9394 0.81005E-01 -1.0915 92 HSO3- 0.89124E-12 -12.0500 0.46621E-12 -12.3314 0.52310E+00 -0.2814 93 HSO4- 0.39133E-10 -10.4075 0.21705E-10 -10.6634 0.55465E+00 -0.2560 95 S2O3-2 0.61071E-13 -13.2142 0.40065E-14 -14.3972 0.65605E-01 -1.1831 96 HS2O3- 0.10934E-14 -14.9612 0.57196E-15 -15.2426 0.52310E+00 -0.2814 97 H2S2O3,aq 0.33788E-17 -17.4712 0.33788E-17 -17.4712 0.10000E+01 0.0000 107 ZnCl+ 0.11656E-05 -5.9335 0.63755E-06 -6.1955 0.54697E+00 -0.2620 108 ZnCl2,aq 0.18672E-06 -6.7288 0.18672E-06 -6.7288 0.10000E+01 0.0000 109 ZnCl3- 0.13126E-07 -7.8819 0.68662E-08 -8.1633 0.52310E+00 -0.2814 110 ZnO,aq 0.68126E-12 -12.1667 0.68126E-12 -12.1667 0.10000E+01 0.0000 111 ZnOH+ 0.61794E-08 -8.2091 0.33799E-08 -8.4711 0.54697E+00 -0.2620 113 HZnO2- 0.57864E-16 -16.2376 0.30269E-16 -16.5190 0.52310E+00 -0.2814 Charge balance for all species = 0.1436E-04 Component Molality Aq.molality ppm log[A(N)/A(H+)**Z] (total) 1 H+ 0.1260475E-03 0.1627680E+00 0.1566629E+03 0.0000 2 H2O 0.1000000E+01 0.5537279E+02 0.9525777E+06 0.0000 3 Cl- 0.5724488E+00 0.6614078E+00 0.2239158E+05 3.6584 4 SO4-- 0.1838242E-09 -.1475565E-02 -.1353539E+03 -2.5394 5 HCO3- 0.3929695E-03 0.1389271E+00 0.8094718E+04 0.5089 6 HS- 0.1350160E-03 0.2728827E-01 0.8617852E+03 0.0326 7 H4SiO4 0.5197842E-02 0.5198492E-02 0.4771258E+03 -2.2842 8 Ca++ 0.1900936E-01 0.2985523E-01 0.1142586E+04 5.4287 9 Mg++ 0.6752674E-03 0.8650508E-03 0.2008283E+02 3.9419 10 Fe++ 0.1302699E-06 0.1777383E-06 0.9478585E-02 0.2366 11 K+ 0.7813353E-01 0.7998231E-01 0.2986451E+04 2.8112 12 Na+ 0.4448691E+00 0.5204909E+00 0.1142644E+05 3.5499 13 Zn++ 0.3212088E-08 0.1374833E-05 0.8582048E-01 -1.3715 14 Cu+ 0.6793852E-11 0.5861210E-07 0.3556289E-02 -7.2667 15 Pb++ 0.1236373E-08 0.7144379E-06 0.1413500E+00 -1.7360 Component Tot moles Aq. moles Solid moles Gas moles 1 H+ 0.1632321E+00 0.1632308E+00 0.1286182E-05 0.0000000E+00 2 H2O 0.5550825E+02 0.5553023E+02 -.2198033E-01 0.0000000E+00 3 Cl- 0.6632884E+00 0.6632884E+00 0.0000000E+00 0.0000000E+00 4 SO4-- -.1473305E-02 -.1479761E-02 0.6455703E-05 0.0000000E+00 5 HCO3- 0.1393221E+00 0.1393221E+00 0.0000000E+00 0.0000000E+00 6 HS- 0.2741622E-01 0.2736586E-01 0.5035944E-04 0.0000000E+00 7 H4SiO4 0.1619053E-01 0.5213274E-02 0.1097726E-01 0.0000000E+00 8 Ca++ 0.2994012E-01 0.2994012E-01 0.0000000E+00 0.0000000E+00 9 Mg++ 0.8675104E-03 0.8675104E-03 0.0000000E+00 0.0000000E+00 10 Fe++ 0.2604518E-04 0.1782437E-06 0.2586693E-04 0.0000000E+00 11 K+ 0.8020973E-01 0.8020973E-01 0.0000000E+00 0.0000000E+00 12 Na+ 0.5219708E+00 0.5219708E+00 0.0000000E+00 0.0000000E+00 13 Zn++ 0.5000000E-05 0.1378742E-05 0.3621258E-05 0.0000000E+00 14 Cu+ 0.5000000E-06 0.5877875E-07 0.4412212E-06 0.0000000E+00 15 Pb++ 0.2000000E-05 0.7164693E-06 0.1283531E-05 0.0000000E+00 Chg. balance for solid moles: -.1525E-19 Mass of aqueous solution: 0.105020E+04 g Temperature = 210.00 C Pressure = 500.00 bar Mixer frac. = 0.0000000 Log Log Vol Gas or mineral Moles Moles Grams Grams Wt.% (cm3) pyrite 0.2578E-04 -4.589 0.3093E-02 -2.510 0.4663 0.6171E-03 quartz 0.1098E-01 -1.960 0.6595 -0.181 99.43 0.2491 bornite 0.8824E-07 -7.054 0.4428E-04 -4.354 0.6676E-02 0.8712E-05 galena 0.1284E-05 -5.892 0.3071E-03 -3.513 0.4630E-01 0.4042E-04 sphalerite 0.3621E-05 -5.441 0.3528E-03 -3.452 0.5319E-01 0.8628E-04 Partial press. Fugacity coef Log fugacity Gas or Mineral Mole fraction or activity Activity coef Log activity pyrite 0.1000E+01 0.1000E+01 1.0000 0.000 quartz 0.1000E+01 0.1000E+01 1.0000 0.000 bornite 0.1000E+01 0.1000E+01 1.0000 0.000 galena 0.1000E+01 0.1000E+01 1.0000 0.000 sphalerite 0.1000E+01 0.1000E+01 1.0000 0.000 Solid products produced: Mass = 0.663311 g Volume = 0.249814 cm3 WARNING: mineral volume may be in error because some mineral densities were not supplied in SOLTHERM. See mineral list in file Skip_Species.txt. Gas composition at saturation ( 4 iterations) ------------------------------------------------- Temperature: 210.0000 deg.C Sat. pressure: 59.0674 bar Gas Mole fraction phi Fugacity Partial P(bar) H2O,gas 0.4820E+00 0.7480 0.2130E+02 0.2847E+02 CO2,gas 0.4683E+00 0.9660 0.2672E+02 0.2766E+02 CH4,gas 0.2620E-01 1.1261 0.1742E+01 0.1547E+01 H2,gas 0.2808E-03 1.0246 0.1699E-01 0.1658E-01 H2S,gas 0.2318E-01 0.8995 0.1231E+01 0.1369E+01 S2,gas 0.9977E-12 1.0000 0.5893E-10 0.5893E-10 CO,gas 0.1887E-05 1.0000 0.1115E-03 0.1115E-03 SO3,gas 0.1298E-27 1.0000 0.7668E-26 0.7668E-26 O2,gas 0.7882E-43 1.0000 0.4656E-41 0.4656E-41 SO2,gas 0.1051E-12 1.0000 0.6210E-11 0.6210E-11 NON-Ideal mixing with H2O, CO2, CH4 Gases ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ The following gases and minerals are presently in matrix or were just added Gas or Mineral Log K Log Q Log(Q/K) Log(Q/K)/S Affinity Log Fugacity 70 pyrite -19.15 -19.15 0.00 0.000 -0.78544E-11 73 quartz -2.27 -2.27 0.00 0.000 0.00000E+00 98 bornite -70.79 -70.79 0.00 0.000 -0.31418E-10 118 galena -10.07 -10.07 0.00 0.000 -0.78544E-11 128 sphalerite -9.70 -9.70 0.00 0.000 -0.39272E-11 46 graphite -2.43 -2.38 0.05 0.015 -0.11736E+03 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 1.36 -0.01 -1.37 -1.371 0.30303E+04 1.328 2 CO2,gas -6.57 -7.85 -1.27 -0.424 0.28124E+04 1.427 3 CH4,gas 5.53 3.07 -2.46 -0.614 0.54338E+04 0.241 4 H2,gas 7.19 2.73 -4.47 -2.554 0.98795E+04 -1.770 5 H2S,gas -5.72 -8.33 -2.61 -1.304 0.57671E+04 0.090 6 S2,gas -9.18 -22.11 -12.93 -1.989 0.28583E+05 -10.230 7 CO,gas 1.54 -5.11 -6.65 -2.047 0.14706E+05 -3.953 8 SO3,gas 9.56 -19.26 -28.81 -7.204 0.63703E+05 -26.115 9 O2,gas 38.56 -5.47 -44.03 -29.354 0.97344E+05 -41.332 10 SO2,gas -2.62 -16.52 -13.91 -3.708 0.30743E+05 -11.207 11 HCl,gas 0.49 -4.71 -5.19 -2.596 0.11481E+05 -5.193 21 aragonite -0.30 -2.43 -2.12 -0.708 0.46977E+04 23 calcite -0.44 -2.43 -1.98 -0.662 0.43879E+04 28 coesite -1.79 -2.27 -0.48 -0.160 0.10639E+04 30 cristobalite -1.99 -2.27 -0.28 -0.093 0.61770E+03 34 diamond -2.05 -2.38 -0.33 -0.094 0.72806E+03 37 dolomite,ordered -2.23 -6.34 -4.11 -0.684 0.90757E+04 49 halite 1.31 -1.16 -2.47 -1.233 0.54520E+04 56 magnesite -1.08 -3.91 -2.84 -0.945 0.62690E+04 71 pyrrhotite -5.12 -8.10 -2.98 -0.993 0.65854E+04 72 pyrrhotiteFe0.875 -6.40 -8.46 -2.06 -0.759 0.45604E+04 78 siderite -3.65 -7.62 -3.97 -1.322 0.87694E+04 80 stishovite 2.30 -2.27 -4.57 -1.523 0.10103E+05 81 sulfur -8.49 -11.06 -2.57 -0.791 0.56847E+04 82 sylvite 1.36 -1.89 -3.26 -1.629 0.72008E+04 88 tridymite -2.01 -2.27 -0.25 -0.084 0.55739E+03 91 troilite-low -5.17 -8.10 -2.93 -0.976 0.64727E+04 96 wollastonite 7.86 3.15 -4.71 -0.942 0.10416E+05 100 chalcedony -2.12 -2.27 -0.14 -0.048 0.31827E+03 101 chalcocite -21.46 -22.87 -1.41 -0.352 0.31122E+04 102 covellite -15.89 -16.96 -1.07 -0.407 0.23626E+04 114 chalcopyrite -24.40 -25.06 -0.65 -0.121 0.14393E+04 115 copper,native -1.39 -5.90 -4.51 -1.570 0.99767E+04 116 dolomite,disordered -1.83 -6.34 -4.51 -0.751 0.99662E+04 125 silica-amorphous -1.64 -2.27 -0.62 -0.208 0.13809E+04 129 wurtzite -8.29 -9.70 -1.41 -0.471 0.31235E+04 ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ Test file for CHIM-XPT. Japanese Geothermal Water. Cooling only. See running notes, below. CHIMRUN demo-1 ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ Number of loops used = 9 Loop limit = 470 Temperature = 210.00 C Pressure = 500.00 bar Mixer fraction = 0.0000000 Water: Moles liquid = 0.5567E+02 kg liquid = 0.1003E+01 Moles total = 0.5551E+02 kg total = 0.1000E+01 Activity = 0.9795 Stoichiometric ionic strength = .7745818E+00 Osmotic coef. = 0.8699 True ionic strength = .5926616E+00 Chg. balance for total moles = 0.1440E-04 Max. difference allowed = 0.6633E-04 Log Log Log Species(n) Molality Molality Activity Activity Gamma Gamma 1 H+ 0.12586E-03 -3.9001 0.65650E-04 -4.1828 0.52161E+00 -0.2827 2 H2O 0.97955E+00 -0.0090 0.97955E+00 -0.0090 3 Cl- 0.57244E+00 -0.2423 0.29945E+00 -0.5237 0.52311E+00 -0.2814 4 SO4-- 0.23432E-09 -9.6302 0.15914E-10 -10.7982 0.67916E-01 -1.1680 5 HCO3- 0.39262E-03 -3.4060 0.21204E-03 -3.6736 0.54007E+00 -0.2676 6 HS- 0.13521E-03 -3.8690 0.70976E-04 -4.1489 0.52493E+00 -0.2799 7 H4SiO4 0.51977E-02 -2.2842 0.51977E-02 -2.2842 0.10000E+01 0.0000 8 Ca++ 0.19009E-01 -1.7210 0.11599E-02 -2.9356 0.61017E-01 -1.2146 9 Mg++ 0.67526E-03 -3.1705 0.37811E-04 -4.4224 0.55994E-01 -1.2519 10 Fe++ 0.12233E-06 -6.9125 0.69989E-08 -8.1550 0.57213E-01 -1.2425 11 K+ 0.78133E-01 -1.1072 0.42568E-01 -1.3709 0.54482E+00 -0.2637 12 Na+ 0.44486E+00 -0.3518 0.23324E+00 -0.6322 0.52430E+00 -0.2804 13 Zn++ 0.32027E-08 -8.4945 0.18323E-09 -9.7370 0.57213E-01 -1.2425 14 Cu+ 0.68247E-11 -11.1659 0.35741E-11 -11.4468 0.52370E+00 -0.2809 15 Pb++ 0.12328E-08 -8.9091 0.79157E-10 -10.1015 0.64211E-01 -1.1924 16 HSiO3- 0.30406E-06 -6.5170 0.15906E-06 -6.7984 0.52311E+00 -0.2814 17 Ca(HSiO3)+ 0.55166E-07 -7.2583 0.30175E-07 -7.5204 0.54698E+00 -0.2620 18 Mg(HSiO3)+ 0.14409E-08 -8.8414 0.78814E-09 -9.1034 0.54698E+00 -0.2620 19 NaHSiO3,aq 0.29034E-06 -6.5371 0.29034E-06 -6.5371 0.10000E+01 0.0000 20 CH4,aq 0.11539E-02 -2.9378 0.10414E-02 -2.9824 0.90253E+00 -0.0445 21 C2H6,aq 0.26729E-08 -8.5730 0.24123E-08 -8.6176 0.90253E+00 -0.0445 22 C3H8,aq 0.43550E-13 -13.3610 0.39305E-13 -13.4056 0.90253E+00 -0.0445 23 C4H10,aq 0.68045E-18 -18.1672 0.61412E-18 -18.2117 0.90253E+00 -0.0445 24 ethanol,aq 0.69854E-13 -13.1558 0.63045E-13 -13.2004 0.90253E+00 -0.0445 25 CO,aq 0.11584E-06 -6.9361 0.11584E-06 -6.9361 0.10000E+01 0.0000 26 CO2,aq 0.13664E+00 -0.8644 0.12332E+00 -0.9090 0.90253E+00 -0.0445 27 CO3-2 0.27565E-08 -8.5596 0.18084E-09 -9.7427 0.65606E-01 -1.1831 28 CaCO3,aq 0.40461E-07 -7.3930 0.40461E-07 -7.3930 0.10000E+01 0.0000 29 Ca(HCO3)+ 0.10474E-03 -3.9799 0.57289E-04 -4.2419 0.54698E+00 -0.2620 30 CaCl+ 0.10197E-01 -1.9915 0.55777E-02 -2.2535 0.54698E+00 -0.2620 31 CaCl2,aq 0.54322E-03 -3.2650 0.54322E-03 -3.2650 0.10000E+01 0.0000 32 CaOH+ 0.48869E-06 -6.3110 0.26730E-06 -6.5730 0.54698E+00 -0.2620 33 CaSO4,aq 0.37596E-10 -10.4249 0.37596E-10 -10.4249 0.10000E+01 0.0000 34 HCl,aq 0.16623E-04 -4.7793 0.16623E-04 -4.7793 0.10000E+01 0.0000 38 Cu+2 0.18164E-16 -16.7408 0.10752E-17 -17.9685 0.59191E-01 -1.2277 39 CuCl+ 0.21142E-16 -16.6749 0.11564E-16 -16.9369 0.54698E+00 -0.2620 40 CuCl2,aq 0.18981E-17 -17.7217 0.18981E-17 -17.7217 0.10000E+01 0.0000 41 CuCl3- 0.24674E-19 -19.6078 0.12907E-19 -19.8892 0.52311E+00 -0.2814 43 CuCl,aq 0.52801E-08 -8.2774 0.52801E-08 -8.2774 0.10000E+01 0.0000 44 CuCl2- 0.49991E-07 -7.3011 0.26151E-07 -7.5825 0.52311E+00 -0.2814 45 CuCl3-2 0.36000E-08 -8.4437 0.23618E-09 -9.6268 0.65606E-01 -1.1831 46 CuO,aq 0.27453E-19 -19.5614 0.27453E-19 -19.5614 0.10000E+01 0.0000 47 CuOH+ 0.37481E-18 -18.4262 0.20501E-18 -18.6882 0.54698E+00 -0.2620 50 Fe+3 0.11020E-18 -18.9578 0.22519E-21 -21.6475 0.20434E-02 -2.6897 51 FeCl+ 0.43497E-07 -7.3615 0.23792E-07 -7.6236 0.54698E+00 -0.2620 52 FeCl2,aq 0.76221E-09 -9.1179 0.76221E-09 -9.1179 0.10000E+01 0.0000 53 FeCl+2 0.58238E-18 -18.2348 0.34472E-19 -19.4625 0.59191E-01 -1.2277 54 FeO,aq 0.22614E-12 -12.6456 0.22614E-12 -12.6456 0.10000E+01 0.0000 55 FeOH+ 0.31700E-09 -9.4989 0.17339E-09 -9.7610 0.54698E+00 -0.2620 56 HFeO2- 0.35921E-15 -15.4447 0.18790E-15 -15.7261 0.52311E+00 -0.2814 57 FeO+ 0.10508E-13 -13.9785 0.57477E-14 -14.2405 0.54698E+00 -0.2620 58 FeOH+2 0.18831E-15 -15.7251 0.11146E-16 -16.9529 0.59191E-01 -1.2277 59 FeO2- 0.18787E-15 -15.7261 0.98277E-16 -16.0075 0.52311E+00 -0.2814 60 HFeO2,aq 0.26284E-13 -13.5803 0.26284E-13 -13.5803 0.10000E+01 0.0000 61 H2,aq 0.20703E-04 -4.6840 0.18685E-04 -4.7285 0.90253E+00 -0.0445 62 KCl,aq 0.18488E-02 -2.7331 0.18488E-02 -2.7331 0.10000E+01 0.0000 63 KHSO4,aq 0.60291E-13 -13.2197 0.60291E-13 -13.2197 0.10000E+01 0.0000 64 KOH,aq 0.96302E-08 -8.0164 0.96302E-08 -8.0164 0.10000E+01 0.0000 65 KSO4- 0.10209E-09 -9.9910 0.53404E-10 -10.2724 0.52311E+00 -0.2814 66 MgCO3,aq 0.16538E-09 -9.7815 0.16538E-09 -9.7815 0.10000E+01 0.0000 67 Mg(HCO3)+ 0.32394E-05 -5.4895 0.17719E-05 -5.7516 0.54698E+00 -0.2620 68 MgCl+ 0.18649E-03 -3.7294 0.10200E-03 -3.9914 0.54698E+00 -0.2620 69 MgOH+ 0.53574E-07 -7.2710 0.29304E-07 -7.5331 0.54698E+00 -0.2620 70 NaCl,aq 0.75621E-01 -1.1214 0.75621E-01 -1.1214 0.10000E+01 0.0000 71 NaOH,aq 0.36806E-07 -7.4341 0.36806E-07 -7.4341 0.10000E+01 0.0000 73 OH- 0.27703E-06 -6.5575 0.13743E-06 -6.8619 0.49607E+00 -0.3045 76 PbCl+ 0.16456E-07 -7.7837 0.90009E-08 -8.0457 0.54698E+00 -0.2620 77 PbCl2,aq 0.48875E-07 -7.3109 0.48875E-07 -7.3109 0.10000E+01 0.0000 78 PbCl3- 0.22126E-07 -7.6551 0.11574E-07 -7.9365 0.52311E+00 -0.2814 79 PbCl4-2 0.10937E-07 -7.9611 0.71755E-09 -9.1441 0.65606E-01 -1.1831 80 PbO,aq 0.11371E-12 -12.9442 0.11371E-12 -12.9442 0.10000E+01 0.0000 81 HPbO2- 0.13715E-17 -17.8628 0.71745E-18 -18.1442 0.52311E+00 -0.2814 82 Pb(HS)2,aq 0.61289E-06 -6.2126 0.61289E-06 -6.2126 0.10000E+01 0.0000 83 Pb(HS)3- 0.16133E-08 -8.7923 0.84391E-09 -9.0737 0.52311E+00 -0.2814 84 H2S,aq 0.25676E-01 -1.5905 0.23173E-01 -1.6350 0.90253E+00 -0.0445 85 S2-2 0.19087E-10 -10.7193 0.12522E-11 -11.9023 0.65606E-01 -1.1831 86 S3-2 0.32562E-12 -12.4873 0.21363E-13 -13.6703 0.65606E-01 -1.1831 87 S3- 0.66727E-10 -10.1757 0.34905E-10 -10.4571 0.52311E+00 -0.2814 88 S4-2 0.39947E-14 -14.3985 0.26208E-15 -15.5816 0.65606E-01 -1.1831 89 S5-2 0.35742E-16 -16.4468 0.23449E-17 -17.6299 0.65606E-01 -1.1831 90 SO2,aq 0.45730E-12 -12.3398 0.45730E-12 -12.3398 0.10000E+01 0.0000 91 SO3-2 0.17040E-15 -15.7685 0.13804E-16 -16.8600 0.81007E-01 -1.0915 92 HSO3- 0.10684E-11 -11.9713 0.55888E-12 -12.2527 0.52311E+00 -0.2814 93 HSO4- 0.49809E-10 -10.3027 0.27627E-10 -10.5587 0.55466E+00 -0.2560 95 S2O3-2 0.77844E-13 -13.1088 0.51071E-14 -14.2918 0.65606E-01 -1.1831 96 HS2O3- 0.13917E-14 -14.8565 0.72800E-15 -15.1379 0.52311E+00 -0.2814 97 H2S2O3,aq 0.42942E-17 -17.3671 0.42942E-17 -17.3671 0.10000E+01 0.0000 107 ZnCl+ 0.11622E-05 -5.9347 0.63569E-06 -6.1968 0.54698E+00 -0.2620 108 ZnCl2,aq 0.18618E-06 -6.7301 0.18618E-06 -6.7301 0.10000E+01 0.0000 109 ZnCl3- 0.13088E-07 -7.8831 0.68462E-08 -8.1646 0.52311E+00 -0.2814 110 ZnO,aq 0.68127E-12 -12.1667 0.68127E-12 -12.1667 0.10000E+01 0.0000 111 ZnOH+ 0.61703E-08 -8.2097 0.33750E-08 -8.4717 0.54698E+00 -0.2620 113 HZnO2- 0.57948E-16 -16.2370 0.30313E-16 -16.5184 0.52311E+00 -0.2814 Charge balance for all species = 0.1436E-04 Component Molality Aq.molality ppm log[A(N)/A(H+)**Z] (total) 1 H+ 0.1258611E-03 0.1624497E+00 0.1563595E+03 0.0000 2 H2O 0.1000000E+01 0.5537279E+02 0.9525955E+06 0.0000 3 Cl- 0.5724414E+00 0.6614002E+00 0.2239175E+05 3.6591 4 SO4-- 0.2343156E-09 -.1159096E-02 -.1063261E+03 -2.4327 5 HCO3- 0.3926219E-03 0.1382926E+00 0.8057899E+04 0.5092 6 HS- 0.1352093E-03 0.2697148E-01 0.8517966E+03 0.0339 7 H4SiO4 0.5197723E-02 0.5198374E-02 0.4771239E+03 -2.2842 8 Ca++ 0.1900913E-01 0.2985489E-01 0.1142594E+04 5.4299 9 Mg++ 0.6752603E-03 0.8650409E-03 0.2008297E+02 3.9431 10 Fe++ 0.1223319E-06 0.1669089E-06 0.8901228E-02 0.2106 11 K+ 0.7813261E-01 0.7998140E-01 0.2986473E+04 2.8118 12 Na+ 0.4448632E+00 0.5204849E+00 0.1142652E+05 3.5506 13 Zn++ 0.3202685E-08 0.1370833E-05 0.8557239E-01 -1.3715 14 Cu+ 0.6824676E-11 0.5887800E-07 0.3572489E-02 -7.2641 15 Pb++ 0.1232755E-08 0.7141346E-06 0.1412926E+00 -1.7360 Component Tot moles Aq. moles Solid moles Gas moles 1 H+ 0.1632321E+00 0.1629135E+00 0.3186434E-03 0.0000000E+00 2 H2O 0.5550825E+02 0.5553087E+02 -.2261518E-01 0.0000000E+00 3 Cl- 0.6632884E+00 0.6632884E+00 0.0000000E+00 0.0000000E+00 4 SO4-- -.1473305E-02 -.1162405E-02 -.3109002E-03 0.0000000E+00 5 HCO3- 0.1393221E+00 0.1386874E+00 0.6347172E-03 0.0000000E+00 6 HS- 0.2741622E-01 0.2704848E-01 0.3677412E-03 0.0000000E+00 7 H4SiO4 0.1619053E-01 0.5213214E-02 0.1097731E-01 0.0000000E+00 8 Ca++ 0.2994012E-01 0.2994012E-01 0.0000000E+00 0.0000000E+00 9 Mg++ 0.8675104E-03 0.8675104E-03 0.0000000E+00 0.0000000E+00 10 Fe++ 0.2604518E-04 0.1673854E-06 0.2587779E-04 0.0000000E+00 11 K+ 0.8020973E-01 0.8020973E-01 0.0000000E+00 0.0000000E+00 12 Na+ 0.5219708E+00 0.5219708E+00 0.0000000E+00 0.0000000E+00 13 Zn++ 0.5000000E-05 0.1374746E-05 0.3625254E-05 0.0000000E+00 14 Cu+ 0.5000000E-06 0.5904609E-07 0.4409539E-06 0.0000000E+00 15 Pb++ 0.2000000E-05 0.7161733E-06 0.1283827E-05 0.0000000E+00 Chg. balance for solid moles: 0.3769E-19 Mass of aqueous solution: 0.105019E+04 g Temperature = 210.00 C Pressure = 500.00 bar Mixer frac. = 0.0000000 Log Log Vol Gas or mineral Moles Moles Grams Grams Wt.% (cm3) pyrite 0.2579E-04 -4.589 0.3094E-02 -2.509 0.4612 0.6174E-03 quartz 0.1098E-01 -1.960 0.6595 -0.181 98.30 0.2491 bornite 0.8819E-07 -7.055 0.4425E-04 -4.354 0.6596E-02 0.8706E-05 galena 0.1284E-05 -5.891 0.3072E-03 -3.513 0.4578E-01 0.4043E-04 sphalerite 0.3625E-05 -5.441 0.3532E-03 -3.452 0.5264E-01 0.8638E-04 graphite 0.6347E-03 -3.197 0.7623E-02 -2.118 1.136 0.3364E-02 Partial press. Fugacity coef Log fugacity Gas or Mineral Mole fraction or activity Activity coef Log activity pyrite 0.1000E+01 0.1000E+01 1.0000 0.000 quartz 0.1000E+01 0.1000E+01 1.0000 0.000 bornite 0.1000E+01 0.1000E+01 1.0000 0.000 galena 0.1000E+01 0.1000E+01 1.0000 0.000 sphalerite 0.1000E+01 0.1000E+01 1.0000 0.000 graphite 0.1000E+01 0.1000E+01 1.0000 0.000 Solid products produced: Mass = 0.670939 g Volume = 0.253179 cm3 WARNING: mineral volume may be in error because some mineral densities were not supplied in SOLTHERM. See mineral list in file Skip_Species.txt. Gas composition at saturation ( 4 iterations) ------------------------------------------------- Temperature: 210.0000 deg.C Sat. pressure: 58.5966 bar Gas Mole fraction phi Fugacity Partial P(bar) H2O,gas 0.4851E+00 0.7492 0.2130E+02 0.2842E+02 CO2,gas 0.4706E+00 0.9669 0.2666E+02 0.2757E+02 CH4,gas 0.2072E-01 1.1266 0.1368E+01 0.1214E+01 H2,gas 0.2666E-03 1.0244 0.1600E-01 0.1562E-01 H2S,gas 0.2334E-01 0.9002 0.1231E+01 0.1368E+01 S2,gas 0.1134E-11 1.0000 0.6644E-10 0.6644E-10 CO,gas 0.1788E-05 1.0000 0.1047E-03 0.1047E-03 SO3,gas 0.1663E-27 1.0000 0.9746E-26 0.9746E-26 O2,gas 0.8958E-43 1.0000 0.5249E-41 0.5249E-41 SO2,gas 0.1269E-12 1.0000 0.7433E-11 0.7433E-11 NON-Ideal mixing with H2O, CO2, CH4 Gases ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ The following gases and minerals are presently in matrix or were just added Gas or Mineral Log K Log Q Log(Q/K) Log(Q/K)/S Affinity Log Fugacity 46 graphite -2.43 -2.43 0.00 0.000 -0.49090E-11 70 pyrite -19.15 -19.15 -0.00 -0.000 0.78544E-11 73 quartz -2.27 -2.27 0.00 0.000 0.00000E+00 98 bornite -70.79 -70.79 -0.00 -0.000 0.31418E-10 118 galena -10.07 -10.07 0.00 0.000 0.00000E+00 128 sphalerite -9.70 -9.70 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 1.36 -0.01 -1.37 -1.371 0.30303E+04 1.328 2 CO2,gas -6.57 -7.85 -1.27 -0.424 0.28146E+04 1.426 3 CH4,gas 5.53 2.97 -2.56 -0.641 0.56663E+04 0.136 4 H2,gas 7.19 2.70 -4.49 -2.568 0.99371E+04 -1.796 5 H2S,gas -5.72 -8.33 -2.61 -1.304 0.57671E+04 0.090 6 S2,gas -9.18 -22.06 -12.88 -1.981 0.28468E+05 -10.178 7 CO,gas 1.54 -5.14 -6.68 -2.055 0.14766E+05 -3.980 8 SO3,gas 9.56 -19.15 -28.71 -7.178 0.63473E+05 -26.011 9 O2,gas 38.56 -5.42 -43.98 -29.319 0.97229E+05 -41.280 10 SO2,gas -2.62 -16.45 -13.83 -3.687 0.30571E+05 -11.129 11 HCl,gas 0.49 -4.71 -5.19 -2.597 0.11482E+05 -5.194 21 aragonite -0.30 -2.43 -2.12 -0.708 0.46971E+04 23 calcite -0.44 -2.43 -1.98 -0.661 0.43873E+04 28 coesite -1.79 -2.27 -0.48 -0.160 0.10639E+04 30 cristobalite -1.99 -2.27 -0.28 -0.093 0.61770E+03 34 diamond -2.05 -2.43 -0.38 -0.109 0.84542E+03 37 dolomite,ordered -2.23 -6.34 -4.10 -0.684 0.90745E+04 49 halite 1.31 -1.16 -2.47 -1.233 0.54520E+04 56 magnesite -1.08 -3.91 -2.84 -0.945 0.62684E+04 71 pyrrhotite -5.12 -8.12 -3.00 -1.002 0.66429E+04 72 pyrrhotiteFe0.875 -6.40 -8.48 -2.08 -0.766 0.46036E+04 78 siderite -3.65 -7.65 -3.99 -1.331 0.88292E+04 80 stishovite 2.30 -2.27 -4.57 -1.523 0.10103E+05 81 sulfur -8.49 -11.03 -2.55 -0.783 0.56271E+04 82 sylvite 1.36 -1.89 -3.26 -1.629 0.72008E+04 88 tridymite -2.01 -2.27 -0.25 -0.084 0.55739E+03 91 troilite-low -5.17 -8.12 -2.95 -0.985 0.65302E+04 96 wollastonite 7.86 3.15 -4.71 -0.942 0.10413E+05 100 chalcedony -2.12 -2.27 -0.14 -0.048 0.31827E+03 101 chalcocite -21.46 -22.86 -1.40 -0.351 0.31007E+04 102 covellite -15.89 -16.95 -1.05 -0.401 0.23281E+04 114 chalcopyrite -24.40 -25.07 -0.66 -0.123 0.14623E+04 115 copper,native -1.39 -5.91 -4.52 -1.573 0.99998E+04 116 dolomite,disordered -1.83 -6.34 -4.51 -0.751 0.99650E+04 125 silica-amorphous -1.64 -2.27 -0.62 -0.208 0.13809E+04 129 wurtzite -8.29 -9.70 -1.41 -0.471 0.31235E+04 Calculations done for 210.0000 Deg. C; 500.0000 bar Temperature changed by -5.000 degrees to 205.000 degrees C. Solids and gases carried ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ Test file for CHIM-XPT. Japanese Geothermal Water. Cooling only. See running notes, below. CHIMRUN demo-1 ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ Number of loops used = 10 Loop limit = 470 Temperature = 205.00 C Pressure = 500.00 bar Mixer fraction = 0.0000000 Water: Moles liquid = 0.5567E+02 kg liquid = 0.1003E+01 Moles total = 0.5551E+02 kg total = 0.1000E+01 Activity = 0.9795 Stoichiometric ionic strength = .7747105E+00 Osmotic coef. = 0.8736 True ionic strength = .5964677E+00 Chg. balance for total moles = 0.1440E-04 Max. difference allowed = 0.6633E-04 Log Log Log Species(n) Molality Molality Activity Activity Gamma Gamma 1 H+ 0.13386E-03 -3.8734 0.70584E-04 -4.1513 0.52731E+00 -0.2779 2 H2O 0.97945E+00 -0.0090 0.97945E+00 -0.0090 3 Cl- 0.57571E+00 -0.2398 0.30445E+00 -0.5165 0.52882E+00 -0.2767 4 SO4-- 0.30803E-09 -9.5114 0.21739E-10 -10.6628 0.70574E-01 -1.1514 5 HCO3- 0.40480E-03 -3.3928 0.22072E-03 -3.6562 0.54527E+00 -0.2634 6 HS- 0.13338E-03 -3.8749 0.70769E-04 -4.1502 0.53059E+00 -0.2752 7 H4SiO4 0.49159E-02 -2.3084 0.49159E-02 -2.3084 0.10000E+01 0.0000 8 Ca++ 0.19525E-01 -1.7094 0.12414E-02 -2.9061 0.63576E-01 -1.1967 9 Mg++ 0.68283E-03 -3.1657 0.39964E-04 -4.3983 0.58527E-01 -1.2326 10 Fe++ 0.98790E-07 -7.0053 0.59029E-08 -8.2289 0.59752E-01 -1.2236 11 K+ 0.78262E-01 -1.1064 0.43027E-01 -1.3663 0.54978E+00 -0.2598 12 Na+ 0.44745E+00 -0.3493 0.23707E+00 -0.6251 0.52983E+00 -0.2759 13 Zn++ 0.32948E-08 -8.4822 0.19687E-09 -9.7058 0.59752E-01 -1.2236 14 Cu+ 0.55853E-11 -11.2530 0.29560E-11 -11.5293 0.52925E+00 -0.2763 15 Pb++ 0.11371E-08 -8.9442 0.75945E-10 -10.1195 0.66790E-01 -1.1753 16 HSiO3- 0.27090E-06 -6.5672 0.14326E-06 -6.8439 0.52882E+00 -0.2767 17 Ca(HSiO3)+ 0.47172E-07 -7.3263 0.26034E-07 -7.5845 0.55188E+00 -0.2582 18 Mg(HSiO3)+ 0.12397E-08 -8.9067 0.68415E-09 -9.1648 0.55188E+00 -0.2582 19 NaHSiO3,aq 0.26560E-06 -6.5758 0.26560E-06 -6.5758 0.10000E+01 0.0000 20 CH4,aq 0.86502E-03 -3.0630 0.78018E-03 -3.1078 0.90192E+00 -0.0448 21 C2H6,aq 0.16182E-08 -8.7910 0.14594E-08 -8.8358 0.90192E+00 -0.0448 22 C3H8,aq 0.22285E-13 -13.6520 0.20099E-13 -13.6968 0.90192E+00 -0.0448 23 C4H10,aq 0.29472E-18 -18.5306 0.26582E-18 -18.5754 0.90192E+00 -0.0448 24 ethanol,aq 0.42718E-13 -13.3694 0.38528E-13 -13.4142 0.90192E+00 -0.0448 25 CO,aq 0.87407E-07 -7.0585 0.87407E-07 -7.0585 0.10000E+01 0.0000 26 CO2,aq 0.13633E+00 -0.8654 0.12296E+00 -0.9102 0.90192E+00 -0.0448 27 CO3-2 0.27549E-08 -8.5599 0.18803E-09 -9.7258 0.68253E-01 -1.1659 28 CaCO3,aq 0.38708E-07 -7.4122 0.38708E-07 -7.4122 0.10000E+01 0.0000 29 Ca(HCO3)+ 0.10225E-03 -3.9903 0.56429E-04 -4.2485 0.55188E+00 -0.2582 30 CaCl+ 0.97196E-02 -2.0124 0.53641E-02 -2.2705 0.55188E+00 -0.2582 31 CaCl2,aq 0.50654E-03 -3.2954 0.50654E-03 -3.2954 0.10000E+01 0.0000 32 CaOH+ 0.39731E-06 -6.4009 0.21927E-06 -6.6590 0.55188E+00 -0.2582 33 CaSO4,aq 0.49043E-10 -10.3094 0.49043E-10 -10.3094 0.10000E+01 0.0000 34 HCl,aq 0.16644E-04 -4.7787 0.16644E-04 -4.7787 0.10000E+01 0.0000 38 Cu+2 0.18020E-16 -16.7442 0.11126E-17 -17.9537 0.61741E-01 -1.2094 39 CuCl+ 0.19737E-16 -16.7047 0.10892E-16 -16.9629 0.55188E+00 -0.2582 40 CuCl2,aq 0.16549E-17 -17.7812 0.16549E-17 -17.7812 0.10000E+01 0.0000 41 CuCl3- 0.20863E-19 -19.6806 0.11033E-19 -19.9573 0.52882E+00 -0.2767 43 CuCl,aq 0.43738E-08 -8.3591 0.43738E-08 -8.3591 0.10000E+01 0.0000 44 CuCl2- 0.41471E-07 -7.3823 0.21931E-07 -7.6589 0.52882E+00 -0.2767 45 CuCl3-2 0.30131E-08 -8.5210 0.20565E-09 -9.6869 0.68253E-01 -1.1659 46 CuO,aq 0.20756E-19 -19.6829 0.20756E-19 -19.6829 0.10000E+01 0.0000 47 CuOH+ 0.31918E-18 -18.4960 0.17615E-18 -18.7541 0.55188E+00 -0.2582 50 Fe+3 0.93198E-19 -19.0306 0.20840E-21 -21.6811 0.22361E-02 -2.6505 51 FeCl+ 0.33071E-07 -7.4805 0.18252E-07 -7.7387 0.55188E+00 -0.2582 52 FeCl2,aq 0.42983E-09 -9.3667 0.42983E-09 -9.3667 0.10000E+01 0.0000 53 FeCl+2 0.47297E-18 -18.3252 0.29202E-19 -19.5346 0.61741E-01 -1.2094 54 FeO,aq 0.12383E-12 -12.9072 0.12383E-12 -12.9072 0.10000E+01 0.0000 55 FeOH+ 0.21513E-09 -9.6673 0.11872E-09 -9.9255 0.55188E+00 -0.2582 56 HFeO2- 0.17468E-15 -15.7578 0.92374E-16 -16.0344 0.52882E+00 -0.2767 57 FeO+ 0.71981E-14 -14.1428 0.39725E-14 -14.4009 0.55188E+00 -0.2582 58 FeOH+2 0.14060E-15 -15.8520 0.86810E-17 -17.0614 0.61741E-01 -1.2094 59 FeO2- 0.90766E-16 -16.0421 0.47999E-16 -16.3188 0.52882E+00 -0.2767 60 HFeO2,aq 0.15479E-13 -13.8103 0.15479E-13 -13.8103 0.10000E+01 0.0000 61 H2,aq 0.15840E-04 -4.8003 0.14286E-04 -4.8451 0.90192E+00 -0.0448 62 KCl,aq 0.17178E-02 -2.7650 0.17178E-02 -2.7650 0.10000E+01 0.0000 63 KHSO4,aq 0.66333E-13 -13.1783 0.66333E-13 -13.1783 0.10000E+01 0.0000 64 KOH,aq 0.81706E-08 -8.0877 0.81706E-08 -8.0877 0.10000E+01 0.0000 65 KSO4- 0.12757E-09 -9.8942 0.67463E-10 -10.1709 0.52882E+00 -0.2767 66 MgCO3,aq 0.16037E-09 -9.7949 0.16037E-09 -9.7949 0.10000E+01 0.0000 67 Mg(HCO3)+ 0.31410E-05 -5.5029 0.17335E-05 -5.7611 0.55188E+00 -0.2582 68 MgCl+ 0.17900E-03 -3.7471 0.98789E-04 -4.0053 0.55188E+00 -0.2582 69 MgOH+ 0.43509E-07 -7.3614 0.24012E-07 -7.6196 0.55188E+00 -0.2582 70 NaCl,aq 0.73026E-01 -1.1365 0.73026E-01 -1.1365 0.10000E+01 0.0000 71 NaOH,aq 0.31771E-07 -7.4980 0.31771E-07 -7.4980 0.10000E+01 0.0000 73 OH- 0.24045E-06 -6.6190 0.12089E-06 -6.9176 0.50276E+00 -0.2986 76 PbCl+ 0.14358E-07 -7.8429 0.79239E-08 -8.1011 0.55188E+00 -0.2582 77 PbCl2,aq 0.41018E-07 -7.3870 0.41018E-07 -7.3870 0.10000E+01 0.0000 78 PbCl3- 0.18118E-07 -7.7419 0.95810E-08 -8.0186 0.52882E+00 -0.2767 79 PbCl4-2 0.89077E-08 -8.0502 0.60797E-09 -9.2161 0.68253E-01 -1.1659 80 PbO,aq 0.78003E-13 -13.1079 0.78003E-13 -13.1079 0.10000E+01 0.0000 81 HPbO2- 0.85996E-18 -18.0655 0.45476E-18 -18.3422 0.52882E+00 -0.2767 82 Pb(HS)2,aq 0.57084E-06 -6.2435 0.57084E-06 -6.2435 0.10000E+01 0.0000 83 Pb(HS)3- 0.14245E-08 -8.8464 0.75328E-09 -9.1230 0.52882E+00 -0.2767 84 H2S,aq 0.25677E-01 -1.5905 0.23159E-01 -1.6353 0.90192E+00 -0.0448 85 S2-2 0.19262E-10 -10.7153 0.13147E-11 -11.8812 0.68253E-01 -1.1659 86 S3-2 0.39501E-12 -12.4034 0.26961E-13 -13.5693 0.68253E-01 -1.1659 87 S3- 0.78655E-10 -10.1043 0.41595E-10 -10.3810 0.52882E+00 -0.2767 88 S4-2 0.58067E-14 -14.2361 0.39632E-15 -15.4020 0.68253E-01 -1.1659 89 S5-2 0.62047E-16 -16.2073 0.42349E-17 -17.3732 0.68253E-01 -1.1659 90 SO2,aq 0.43500E-12 -12.3615 0.43500E-12 -12.3615 0.10000E+01 0.0000 91 SO3-2 0.18412E-15 -15.7349 0.15418E-16 -16.8120 0.83736E-01 -1.0771 92 HSO3- 0.11009E-11 -11.9583 0.58216E-12 -12.2350 0.52882E+00 -0.2767 93 HSO4- 0.61412E-10 -10.2117 0.34358E-10 -10.4640 0.55947E+00 -0.2522 95 S2O3-2 0.10285E-12 -12.9878 0.70199E-14 -14.1537 0.68253E-01 -1.1659 96 HS2O3- 0.17964E-14 -14.7456 0.94999E-15 -15.0223 0.52882E+00 -0.2767 97 H2S2O3,aq 0.55094E-17 -17.2589 0.55094E-17 -17.2589 0.10000E+01 0.0000 107 ZnCl+ 0.10161E-05 -5.9931 0.56076E-06 -6.2512 0.55188E+00 -0.2582 108 ZnCl2,aq 0.15905E-06 -6.7985 0.15905E-06 -6.7985 0.10000E+01 0.0000 109 ZnCl3- 0.11157E-07 -7.9525 0.59000E-08 -8.2292 0.52882E+00 -0.2767 110 ZnO,aq 0.48909E-12 -12.3106 0.48909E-12 -12.3106 0.10000E+01 0.0000 111 ZnOH+ 0.50551E-08 -8.2963 0.27898E-08 -8.5544 0.55188E+00 -0.2582 113 HZnO2- 0.37037E-16 -16.4314 0.19586E-16 -16.7081 0.52882E+00 -0.2767 Charge balance for all species = 0.1436E-04 Component Molality Aq.molality ppm log[A(N)/A(H+)**Z] (total) 1 H+ 0.1338556E-03 0.1621565E+00 0.1560841E+03 0.0000 2 H2O 0.1000000E+01 0.5537280E+02 0.9526369E+06 0.0000 3 Cl- 0.5757133E+00 0.6613867E+00 0.2239226E+05 3.6348 4 SO4-- 0.3080345E-09 -.8690025E-03 -.7971872E+02 -2.3602 5 HCO3- 0.4047964E-03 0.1377096E+00 0.8024278E+04 0.4951 6 HS- 0.1333789E-03 0.2668055E-01 0.8426452E+03 0.0011 7 H4SiO4 0.4915917E-02 0.4916502E-02 0.4512723E+03 -2.3084 8 Ca++ 0.1952545E-01 0.2985428E-01 0.1142621E+04 5.3965 9 Mg++ 0.6828333E-03 0.8650232E-03 0.2008343E+02 3.9043 10 Fe++ 0.9879003E-07 0.1325066E-06 0.7066866E-02 0.0737 11 K+ 0.7826194E-01 0.7997976E-01 0.2986541E+04 2.7850 12 Na+ 0.4474484E+00 0.5204743E+00 0.1142678E+05 3.5262 13 Zn++ 0.3294797E-08 0.1194640E-05 0.7457701E-01 -1.4032 14 Cu+ 0.5585267E-11 0.4886343E-07 0.2964972E-02 -7.3780 15 Pb++ 0.1137074E-08 0.6557991E-06 0.1297565E+00 -1.8169 Component Tot moles Aq. moles Solid moles Gas moles 1 H+ 0.1632321E+00 0.1626228E+00 0.6093228E-03 0.0000000E+00 2 H2O 0.5550825E+02 0.5553201E+02 -.2376219E-01 0.0000000E+00 3 Cl- 0.6632884E+00 0.6632884E+00 0.0000000E+00 0.0000000E+00 4 SO4-- -.1473305E-02 -.8715012E-03 -.6018041E-03 0.0000000E+00 5 HCO3- 0.1393221E+00 0.1381056E+00 0.1216542E-02 0.0000000E+00 6 HS- 0.2741622E-01 0.2675727E-01 0.6589533E-03 0.0000000E+00 7 H4SiO4 0.1619053E-01 0.4930639E-02 0.1125989E-01 0.0000000E+00 8 Ca++ 0.2994012E-01 0.2994012E-01 0.0000000E+00 0.0000000E+00 9 Mg++ 0.8675104E-03 0.8675104E-03 0.0000000E+00 0.0000000E+00 10 Fe++ 0.2604518E-04 0.1328876E-06 0.2591229E-04 0.0000000E+00 11 K+ 0.8020973E-01 0.8020973E-01 0.0000000E+00 0.0000000E+00 12 Na+ 0.5219708E+00 0.5219708E+00 0.0000000E+00 0.0000000E+00 13 Zn++ 0.5000000E-05 0.1198075E-05 0.3801925E-05 0.0000000E+00 14 Cu+ 0.5000000E-06 0.4900393E-07 0.4509961E-06 0.0000000E+00 15 Pb++ 0.2000000E-05 0.6576847E-06 0.1342315E-05 0.0000000E+00 Chg. balance for solid moles: -.1321E-18 Mass of aqueous solution: 0.105016E+04 g Temperature = 205.00 C Pressure = 500.00 bar Mixer frac. = 0.0000000 Log Log Vol Gas or mineral Moles Moles Grams Grams Wt.% (cm3) graphite 0.1217E-02 -2.915 0.1461E-01 -1.835 2.102 0.6448E-02 pyrite 0.2582E-04 -4.588 0.3098E-02 -2.509 0.4458 0.6181E-03 quartz 0.1126E-01 -1.948 0.6765 -0.170 97.35 0.2555 bornite 0.9020E-07 -7.045 0.4526E-04 -4.344 0.6513E-02 0.8905E-05 galena 0.1342E-05 -5.872 0.3211E-03 -3.493 0.4621E-01 0.4227E-04 sphalerite 0.3802E-05 -5.420 0.3704E-03 -3.431 0.5330E-01 0.9059E-04 Partial press. Fugacity coef Log fugacity Gas or Mineral Mole fraction or activity Activity coef Log activity graphite 0.1000E+01 0.1000E+01 1.0000 0.000 pyrite 0.1000E+01 0.1000E+01 1.0000 0.000 quartz 0.1000E+01 0.1000E+01 1.0000 0.000 bornite 0.1000E+01 0.1000E+01 1.0000 0.000 galena 0.1000E+01 0.1000E+01 1.0000 0.000 sphalerite 0.1000E+01 0.1000E+01 1.0000 0.000 Solid products produced: Mass = 0.694940 g Volume = 0.262681 cm3 WARNING: mineral volume may be in error because some mineral densities were not supplied in SOLTHERM. See mineral list in file Skip_Species.txt. Gas composition at saturation ( 4 iterations) ------------------------------------------------- Temperature: 205.0000 deg.C Sat. pressure: 56.1203 bar Gas Mole fraction phi Fugacity Partial P(bar) H2O,gas 0.4578E+00 0.7550 0.1940E+02 0.2569E+02 CO2,gas 0.5001E+00 0.9646 0.2707E+02 0.2807E+02 CH4,gas 0.1723E-01 1.1173 0.1081E+01 0.9671E+00 H2,gas 0.2229E-03 1.0236 0.1281E-01 0.1251E-01 H2S,gas 0.2465E-01 0.9012 0.1247E+01 0.1383E+01 S2,gas 0.1207E-11 1.0000 0.6773E-10 0.6773E-10 CO,gas 0.1501E-05 1.0000 0.8423E-04 0.8423E-04 SO3,gas 0.1278E-27 1.0000 0.7173E-26 0.7173E-26 O2,gas 0.3399E-43 1.0000 0.1908E-41 0.1908E-41 SO2,gas 0.1248E-12 1.0000 0.7004E-11 0.7004E-11 NON-Ideal mixing with H2O, CO2, CH4 Gases ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ The following gases and minerals are presently in matrix or were just added Gas or Mineral Log K Log Q Log(Q/K) Log(Q/K)/S Affinity Log Fugacity 46 graphite -2.47 -2.47 0.00 0.000 -0.38866E-11 70 pyrite -19.19 -19.19 -0.00 -0.000 0.77731E-11 73 quartz -2.29 -2.29 -0.00 -0.000 0.97164E-12 98 bornite -71.35 -71.35 0.00 0.000 -0.31092E-10 118 galena -10.12 -10.12 -0.00 -0.000 0.38866E-11 128 sphalerite -9.70 -9.70 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 1.40 -0.01 -1.41 -1.411 0.30878E+04 1.288 2 CO2,gas -6.53 -7.80 -1.27 -0.422 0.27709E+04 1.433 3 CH4,gas 5.51 2.85 -2.67 -0.666 0.58316E+04 0.034 4 H2,gas 7.25 2.66 -4.59 -2.624 0.10046E+05 -1.893 5 H2S,gas -5.70 -8.30 -2.60 -1.302 0.56958E+04 0.096 6 S2,gas -9.05 -21.92 -12.87 -1.980 0.28155E+05 -10.169 7 CO,gas 1.64 -5.13 -6.77 -2.084 0.14820E+05 -4.075 8 SO3,gas 9.89 -18.96 -28.84 -7.211 0.63107E+05 -26.144 9 O2,gas 39.09 -5.33 -44.42 -29.612 0.97185E+05 -41.719 10 SO2,gas -2.44 -16.29 -13.85 -3.694 0.30311E+05 -11.155 11 HCl,gas 0.60 -4.67 -5.27 -2.635 0.11529E+05 -5.269 21 aragonite -0.24 -2.41 -2.17 -0.725 0.47569E+04 23 calcite -0.38 -2.41 -2.03 -0.678 0.44504E+04 28 coesite -1.80 -2.29 -0.49 -0.162 0.10624E+04 30 cristobalite -2.00 -2.29 -0.29 -0.095 0.62487E+03 34 diamond -2.08 -2.47 -0.38 -0.110 0.84060E+03 37 dolomite,ordered -2.10 -6.31 -4.22 -0.703 0.92247E+04 49 halite 1.33 -1.14 -2.47 -1.237 0.54108E+04 56 magnesite -1.00 -3.90 -2.91 -0.969 0.63583E+04 71 pyrrhotite -5.06 -8.23 -3.16 -1.054 0.69203E+04 72 pyrrhotiteFe0.875 -6.36 -8.57 -2.20 -0.810 0.48170E+04 78 siderite -3.60 -7.73 -4.14 -1.379 0.90544E+04 80 stishovite 2.32 -2.29 -4.61 -1.536 0.10083E+05 81 sulfur -8.49 -10.96 -2.47 -0.760 0.54056E+04 82 sylvite 1.38 -1.88 -3.26 -1.629 0.71293E+04 88 tridymite -2.03 -2.29 -0.26 -0.086 0.56335E+03 91 troilite-low -5.12 -8.23 -3.11 -1.036 0.68012E+04 96 wollastonite 7.96 3.10 -4.87 -0.973 0.10649E+05 100 chalcedony -2.14 -2.29 -0.15 -0.048 0.31821E+03 101 chalcocite -21.67 -23.06 -1.39 -0.347 0.30363E+04 102 covellite -16.02 -17.01 -0.99 -0.377 0.21659E+04 114 chalcopyrite -24.51 -25.24 -0.72 -0.134 0.15789E+04 115 copper,native -1.45 -6.05 -4.60 -1.599 0.10057E+05 116 dolomite,disordered -1.68 -6.31 -4.63 -0.772 0.10130E+05 125 silica-amorphous -1.65 -2.29 -0.64 -0.212 0.13920E+04 129 wurtzite -8.28 -9.70 -1.43 -0.476 0.31238E+04 Calculations done for 205.0000 Deg. C; 500.0000 bar Temperature changed by -5.000 degrees to 200.000 degrees C. Solids and gases carried ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ Test file for CHIM-XPT. Japanese Geothermal Water. Cooling only. See running notes, below. CHIMRUN demo-1 ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ Number of loops used = 10 Loop limit = 470 Temperature = 200.00 C Pressure = 500.00 bar Mixer fraction = 0.0000000 Water: Moles liquid = 0.5567E+02 kg liquid = 0.1003E+01 Moles total = 0.5551E+02 kg total = 0.1000E+01 Activity = 0.9794 Stoichiometric ionic strength = .7748064E+00 Osmotic coef. = 0.8773 True ionic strength = .6001501E+00 Chg. balance for total moles = 0.1440E-04 Max. difference allowed = 0.6633E-04 Log Log Log Species(n) Molality Molality Activity Activity Gamma Gamma 1 H+ 0.14215E-03 -3.8472 0.75766E-04 -4.1205 0.53299E+00 -0.2733 2 H2O 0.97935E+00 -0.0091 0.97935E+00 -0.0091 3 Cl- 0.57888E+00 -0.2374 0.30940E+00 -0.5095 0.53448E+00 -0.2721 4 SO4-- 0.40648E-09 -9.3910 0.29791E-10 -10.5259 0.73288E-01 -1.1350 5 HCO3- 0.41740E-03 -3.3794 0.22974E-03 -3.6388 0.55041E+00 -0.2593 6 HS- 0.13143E-03 -3.8813 0.70470E-04 -4.1520 0.53619E+00 -0.2707 7 H4SiO4 0.46439E-02 -2.3331 0.46439E-02 -2.3331 0.10000E+01 0.0000 8 Ca++ 0.20027E-01 -1.6984 0.13257E-02 -2.8775 0.66198E-01 -1.1792 9 Mg++ 0.69011E-03 -3.1611 0.42187E-04 -4.3748 0.61130E-01 -1.2137 10 Fe++ 0.79185E-07 -7.1014 0.49379E-08 -8.3065 0.62359E-01 -1.2051 11 K+ 0.78383E-01 -1.1058 0.43477E-01 -1.3617 0.55467E+00 -0.2560 12 Na+ 0.44995E+00 -0.3468 0.24086E+00 -0.6182 0.53530E+00 -0.2714 13 Zn++ 0.33773E-08 -8.4714 0.21061E-09 -9.6765 0.62359E-01 -1.2051 14 Cu+ 0.45404E-11 -11.3429 0.24279E-11 -11.6148 0.53473E+00 -0.2719 15 Pb++ 0.10422E-08 -8.9821 0.72356E-10 -10.1405 0.69427E-01 -1.1585 16 HSiO3- 0.24073E-06 -6.6185 0.12867E-06 -6.8905 0.53448E+00 -0.2721 17 Ca(HSiO3)+ 0.40205E-07 -7.3957 0.22383E-07 -7.6501 0.55672E+00 -0.2544 18 Mg(HSiO3)+ 0.10642E-08 -8.9730 0.59243E-09 -9.2274 0.55672E+00 -0.2544 19 NaHSiO3,aq 0.24279E-06 -6.6148 0.24279E-06 -6.6148 0.10000E+01 0.0000 20 CH4,aq 0.64594E-03 -3.1898 0.58224E-03 -3.2349 0.90139E+00 -0.0451 21 C2H6,aq 0.97217E-09 -9.0123 0.87631E-09 -9.0573 0.90139E+00 -0.0451 22 C3H8,aq 0.11280E-13 -13.9477 0.10167E-13 -13.9928 0.90139E+00 -0.0451 23 C4H10,aq 0.12585E-18 -18.9002 0.11344E-18 -18.9452 0.90139E+00 -0.0451 24 ethanol,aq 0.25890E-13 -13.5869 0.23337E-13 -13.6320 0.90139E+00 -0.0451 25 CO,aq 0.65673E-07 -7.1826 0.65673E-07 -7.1826 0.10000E+01 0.0000 26 CO2,aq 0.13610E+00 -0.8661 0.12268E+00 -0.9112 0.90139E+00 -0.0451 27 CO3-2 0.27527E-08 -8.5602 0.19533E-09 -9.7092 0.70959E-01 -1.1490 28 CaCO3,aq 0.37002E-07 -7.4318 0.37002E-07 -7.4318 0.10000E+01 0.0000 29 Ca(HCO3)+ 0.99784E-04 -4.0009 0.55552E-04 -4.2553 0.55672E+00 -0.2544 30 CaCl+ 0.92542E-02 -2.0337 0.51520E-02 -2.2880 0.55672E+00 -0.2544 31 CaCl2,aq 0.47260E-03 -3.3255 0.47260E-03 -3.3255 0.10000E+01 0.0000 32 CaOH+ 0.32158E-06 -6.4927 0.17903E-06 -6.7471 0.55672E+00 -0.2544 33 CaSO4,aq 0.64200E-10 -10.1925 0.64200E-10 -10.1925 0.10000E+01 0.0000 34 HCl,aq 0.16672E-04 -4.7780 0.16672E-04 -4.7780 0.10000E+01 0.0000 38 Cu+2 0.17777E-16 -16.7502 0.11440E-17 -17.9416 0.64355E-01 -1.1914 39 CuCl+ 0.18336E-16 -16.7367 0.10208E-16 -16.9911 0.55672E+00 -0.2544 40 CuCl2,aq 0.14370E-17 -17.8425 0.14370E-17 -17.8425 0.10000E+01 0.0000 41 CuCl3- 0.17581E-19 -19.7550 0.93967E-20 -20.0270 0.53448E+00 -0.2721 43 CuCl,aq 0.36037E-08 -8.4433 0.36037E-08 -8.4433 0.10000E+01 0.0000 44 CuCl2- 0.34224E-07 -7.4657 0.18292E-07 -7.7377 0.53448E+00 -0.2721 45 CuCl3-2 0.25106E-08 -8.6002 0.17815E-09 -9.7492 0.70959E-01 -1.1490 46 CuO,aq 0.15575E-19 -19.8076 0.15575E-19 -19.8076 0.10000E+01 0.0000 47 CuOH+ 0.26993E-18 -18.5687 0.15028E-18 -18.8231 0.55672E+00 -0.2544 50 Fe+3 0.78116E-19 -19.1073 0.19087E-21 -21.7193 0.24435E-02 -2.6120 51 FeCl+ 0.24970E-07 -7.6026 0.13901E-07 -7.8569 0.55672E+00 -0.2544 52 FeCl2,aq 0.23965E-09 -9.6204 0.23965E-09 -9.6204 0.10000E+01 0.0000 53 FeCl+2 0.38078E-18 -18.4193 0.24505E-19 -19.6107 0.64355E-01 -1.1914 54 FeO,aq 0.67070E-13 -13.1735 0.67070E-13 -13.1735 0.10000E+01 0.0000 55 FeOH+ 0.14467E-09 -9.8396 0.80539E-10 -10.0940 0.55672E+00 -0.2544 56 HFeO2- 0.83958E-16 -16.0759 0.44874E-16 -16.3480 0.53448E+00 -0.2721 57 FeO+ 0.48763E-14 -14.3119 0.27148E-14 -14.5663 0.55672E+00 -0.2544 58 FeOH+2 0.10390E-15 -15.9834 0.66866E-17 -17.1748 0.64355E-01 -1.1914 59 FeO2- 0.43230E-16 -16.3642 0.23106E-16 -16.6363 0.53448E+00 -0.2721 60 HFeO2,aq 0.89990E-14 -14.0458 0.89990E-14 -14.0458 0.10000E+01 0.0000 61 H2,aq 0.12068E-04 -4.9184 0.10878E-04 -4.9634 0.90139E+00 -0.0451 62 KCl,aq 0.15951E-02 -2.7972 0.15951E-02 -2.7972 0.10000E+01 0.0000 63 KHSO4,aq 0.73083E-13 -13.1362 0.73083E-13 -13.1362 0.10000E+01 0.0000 64 KOH,aq 0.69139E-08 -8.1603 0.69139E-08 -8.1603 0.10000E+01 0.0000 65 KSO4- 0.16011E-09 -9.7956 0.85573E-10 -10.0677 0.53448E+00 -0.2721 66 MgCO3,aq 0.15557E-09 -9.8081 0.15557E-09 -9.8081 0.10000E+01 0.0000 67 Mg(HCO3)+ 0.30463E-05 -5.5162 0.16960E-05 -5.7706 0.55672E+00 -0.2544 68 MgCl+ 0.17181E-03 -3.7649 0.95652E-04 -4.0193 0.55672E+00 -0.2544 69 MgOH+ 0.35237E-07 -7.4530 0.19617E-07 -7.7074 0.55672E+00 -0.2544 70 NaCl,aq 0.70514E-01 -1.1517 0.70514E-01 -1.1517 0.10000E+01 0.0000 71 NaOH,aq 0.27367E-07 -7.5628 0.27367E-07 -7.5628 0.10000E+01 0.0000 73 OH- 0.20816E-06 -6.6816 0.10604E-06 -6.9745 0.50941E+00 -0.2929 76 PbCl+ 0.12455E-07 -7.9046 0.69341E-08 -8.1590 0.55672E+00 -0.2544 77 PbCl2,aq 0.34238E-07 -7.4655 0.34238E-07 -7.4655 0.10000E+01 0.0000 78 PbCl3- 0.14760E-07 -7.8309 0.78889E-08 -8.1030 0.53448E+00 -0.2721 79 PbCl4-2 0.72199E-08 -8.1415 0.51231E-09 -9.2905 0.70959E-01 -1.1490 80 PbO,aq 0.53022E-13 -13.2755 0.53022E-13 -13.2755 0.10000E+01 0.0000 81 HPbO2- 0.53333E-18 -18.2730 0.28505E-18 -18.5451 0.53448E+00 -0.2721 82 Pb(HS)2,aq 0.53025E-06 -6.2755 0.53025E-06 -6.2755 0.10000E+01 0.0000 83 Pb(HS)3- 0.12547E-08 -8.9014 0.67063E-09 -9.1735 0.53448E+00 -0.2721 84 H2S,aq 0.25678E-01 -1.5904 0.23146E-01 -1.6355 0.90139E+00 -0.0451 85 S2-2 0.19429E-10 -10.7115 0.13787E-11 -11.8605 0.70959E-01 -1.1490 86 S3-2 0.48015E-12 -12.3186 0.34071E-13 -13.4676 0.70959E-01 -1.1490 87 S3- 0.93037E-10 -10.0313 0.49726E-10 -10.3034 0.53448E+00 -0.2721 88 S4-2 0.84783E-14 -14.0717 0.60161E-15 -15.2207 0.70959E-01 -1.1490 89 S5-2 0.10845E-15 -15.9648 0.76956E-17 -17.1138 0.70959E-01 -1.1490 90 SO2,aq 0.41277E-12 -12.3843 0.41277E-12 -12.3843 0.10000E+01 0.0000 91 SO3-2 0.19890E-15 -15.7014 0.17206E-16 -16.7643 0.86508E-01 -1.0629 92 HSO3- 0.11330E-11 -11.9458 0.60557E-12 -12.2178 0.53448E+00 -0.2721 93 HSO4- 0.75877E-10 -10.1199 0.42811E-10 -10.3684 0.56421E+00 -0.2486 95 S2O3-2 0.13634E-12 -12.8654 0.96743E-14 -14.0144 0.70959E-01 -1.1490 96 HS2O3- 0.23236E-14 -14.6338 0.12419E-14 -14.9059 0.53448E+00 -0.2721 97 H2S2O3,aq 0.70725E-17 -17.1504 0.70725E-17 -17.1504 0.10000E+01 0.0000 107 ZnCl+ 0.88379E-06 -6.0536 0.49203E-06 -6.3080 0.55672E+00 -0.2544 108 ZnCl2,aq 0.13536E-06 -6.8685 0.13536E-06 -6.8685 0.10000E+01 0.0000 109 ZnCl3- 0.94861E-08 -8.0229 0.50701E-08 -8.2950 0.53448E+00 -0.2721 110 ZnO,aq 0.34871E-12 -12.4575 0.34871E-12 -12.4575 0.10000E+01 0.0000 111 ZnOH+ 0.41143E-08 -8.3857 0.22905E-08 -8.6401 0.55672E+00 -0.2544 113 HZnO2- 0.23496E-16 -16.6290 0.12558E-16 -16.9011 0.53448E+00 -0.2721 Charge balance for all species = 0.1436E-04 Component Molality Aq.molality ppm log[A(N)/A(H+)**Z] (total) 1 H+ 0.1421539E-03 0.1619339E+00 0.1558757E+03 0.0000 2 H2O 0.1000000E+01 0.5537281E+02 0.9526736E+06 0.0000 3 Cl- 0.5788765E+00 0.6613751E+00 0.2239272E+05 3.6110 4 SO4-- 0.4064841E-09 -.6489710E-03 -.5953621E+02 -2.2849 5 HCO3- 0.4174014E-03 0.1372671E+00 0.7998801E+04 0.4818 6 HS- 0.1314284E-03 0.2645980E-01 0.8357050E+03 -0.0315 7 H4SiO4 0.4643868E-02 0.4644393E-02 0.4263125E+03 -2.3331 8 Ca++ 0.2002680E-01 0.2985375E-01 0.1142644E+04 5.3635 9 Mg++ 0.6901123E-03 0.8650080E-03 0.2008385E+02 3.8662 10 Fe++ 0.7918542E-07 0.1045400E-06 0.5575561E-02 -0.0654 11 K+ 0.7838330E-01 0.7997836E-01 0.2986603E+04 2.7588 12 Na+ 0.4499506E+00 0.5204651E+00 0.1142702E+05 3.5023 13 Zn++ 0.3377337E-08 0.1036137E-05 0.6468471E-01 -1.4355 14 Cu+ 0.4540368E-11 0.4034274E-07 0.2448041E-02 -7.4942 15 Pb++ 0.1042190E-08 0.6012206E-06 0.1189621E+00 -1.8995 Component Tot moles Aq. moles Solid moles Gas moles 1 H+ 0.1632321E+00 0.1624023E+00 0.8297704E-03 0.0000000E+00 2 H2O 0.5550825E+02 0.5553300E+02 -.2474915E-01 0.0000000E+00 3 Cl- 0.6632884E+00 0.6632884E+00 0.0000000E+00 0.0000000E+00 4 SO4-- -.1473305E-02 -.6508484E-03 -.8224568E-03 0.0000000E+00 5 HCO3- 0.1393221E+00 0.1376642E+00 0.1657861E-02 0.0000000E+00 6 HS- 0.2741622E-01 0.2653634E-01 0.8798792E-03 0.0000000E+00 7 H4SiO4 0.1619053E-01 0.4657829E-02 0.1153270E-01 0.0000000E+00 8 Ca++ 0.2994012E-01 0.2994012E-01 0.0000000E+00 0.0000000E+00 9 Mg++ 0.8675104E-03 0.8675104E-03 0.0000000E+00 0.0000000E+00 10 Fe++ 0.2604518E-04 0.1048425E-06 0.2594034E-04 0.0000000E+00 11 K+ 0.8020973E-01 0.8020973E-01 0.0000000E+00 0.0000000E+00 12 Na+ 0.5219708E+00 0.5219708E+00 0.0000000E+00 0.0000000E+00 13 Zn++ 0.5000000E-05 0.1039134E-05 0.3960866E-05 0.0000000E+00 14 Cu+ 0.5000000E-06 0.4045945E-07 0.4595405E-06 0.0000000E+00 15 Pb++ 0.2000000E-05 0.6029599E-06 0.1397040E-05 0.0000000E+00 Chg. balance for solid moles: 0.1283E-18 Mass of aqueous solution: 0.105014E+04 g Temperature = 200.00 C Pressure = 500.00 bar Mixer frac. = 0.0000000 Log Log Vol Gas or mineral Moles Moles Grams Grams Wt.% (cm3) graphite 0.1658E-02 -2.780 0.1991E-01 -1.701 2.778 0.8787E-02 pyrite 0.2585E-04 -4.588 0.3101E-02 -2.508 0.4327 0.6188E-03 quartz 0.1153E-01 -1.938 0.6929 -0.159 96.68 0.2617 bornite 0.9191E-07 -7.037 0.4612E-04 -4.336 0.6435E-02 0.9073E-05 galena 0.1397E-05 -5.855 0.3342E-03 -3.476 0.4664E-01 0.4399E-04 sphalerite 0.3961E-05 -5.402 0.3859E-03 -3.414 0.5385E-01 0.9438E-04 Partial press. Fugacity coef Log fugacity Gas or Mineral Mole fraction or activity Activity coef Log activity graphite 0.1000E+01 0.1000E+01 1.0000 0.000 pyrite 0.1000E+01 0.1000E+01 1.0000 0.000 quartz 0.1000E+01 0.1000E+01 1.0000 0.000 bornite 0.1000E+01 0.1000E+01 1.0000 0.000 galena 0.1000E+01 0.1000E+01 1.0000 0.000 sphalerite 0.1000E+01 0.1000E+01 1.0000 0.000 Solid products produced: Mass = 0.716663 g Volume = 0.271216 cm3 WARNING: mineral volume may be in error because some mineral densities were not supplied in SOLTHERM. See mineral list in file Skip_Species.txt. Gas composition at saturation ( 4 iterations) ------------------------------------------------- Temperature: 200.0000 deg.C Sat. pressure: 53.8841 bar Gas Mole fraction phi Fugacity Partial P(bar) H2O,gas 0.4299E+00 0.7605 0.1762E+02 0.2317E+02 CO2,gas 0.5297E+00 0.9622 0.2746E+02 0.2854E+02 CH4,gas 0.1422E-01 1.1085 0.8494E+00 0.7662E+00 H2,gas 0.1850E-03 1.0229 0.1020E-01 0.9971E-02 H2S,gas 0.2594E-01 0.9018 0.1260E+01 0.1398E+01 S2,gas 0.1278E-11 1.0000 0.6884E-10 0.6884E-10 CO,gas 0.1250E-05 1.0000 0.6736E-04 0.6736E-04 SO3,gas 0.9697E-28 1.0000 0.5225E-26 0.5225E-26 O2,gas 0.1257E-43 1.0000 0.6773E-42 0.6773E-42 SO2,gas 0.1220E-12 1.0000 0.6572E-11 0.6572E-11 NON-Ideal mixing with H2O, CO2, CH4 Gases ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ The following gases and minerals are presently in matrix or were just added Gas or Mineral Log K Log Q Log(Q/K) Log(Q/K)/S Affinity Log Fugacity 46 graphite -2.50 -2.50 -0.00 -0.000 0.19230E-11 70 pyrite -19.23 -19.22 0.00 0.000 -0.76918E-11 73 quartz -2.31 -2.31 0.00 0.000 0.00000E+00 98 bornite -71.93 -71.93 0.00 0.000 0.00000E+00 118 galena -10.17 -10.17 0.00 0.000 0.00000E+00 128 sphalerite -9.71 -9.71 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 1.44 -0.01 -1.45 -1.453 0.31459E+04 1.246 2 CO2,gas -6.49 -7.75 -1.26 -0.420 0.27284E+04 1.439 3 CH4,gas 5.50 2.73 -2.77 -0.692 0.59969E+04 -0.071 4 H2,gas 7.30 2.61 -4.69 -2.680 0.10155E+05 -1.991 5 H2S,gas -5.67 -8.27 -2.60 -1.299 0.56259E+04 0.100 6 S2,gas -8.91 -21.77 -12.86 -1.979 0.27845E+05 -10.162 7 CO,gas 1.74 -5.13 -6.87 -2.114 0.14875E+05 -4.172 8 SO3,gas 10.22 -18.76 -28.98 -7.245 0.62745E+05 -26.282 9 O2,gas 39.62 -5.25 -44.87 -29.912 0.97142E+05 -42.169 10 SO2,gas -2.25 -16.13 -13.88 -3.702 0.30054E+05 -11.182 11 HCl,gas 0.72 -4.63 -5.35 -2.674 0.11577E+05 -5.347 21 aragonite -0.17 -2.40 -2.22 -0.741 0.48146E+04 23 calcite -0.31 -2.40 -2.08 -0.695 0.45115E+04 28 coesite -1.82 -2.31 -0.49 -0.163 0.10609E+04 30 cristobalite -2.02 -2.31 -0.29 -0.097 0.63220E+03 34 diamond -2.12 -2.50 -0.39 -0.110 0.83571E+03 37 dolomite,ordered -1.96 -6.29 -4.33 -0.721 0.93700E+04 49 halite 1.35 -1.13 -2.48 -1.240 0.53687E+04 56 magnesite -0.92 -3.89 -2.98 -0.992 0.64455E+04 71 pyrrhotite -5.01 -8.34 -3.32 -1.108 0.71965E+04 72 pyrrhotiteFe0.875 -6.33 -8.65 -2.32 -0.854 0.50293E+04 78 siderite -3.54 -7.82 -4.29 -1.429 0.92788E+04 80 stishovite 2.33 -2.31 -4.65 -1.549 0.10063E+05 81 sulfur -8.49 -10.89 -2.40 -0.737 0.51855E+04 82 sylvite 1.39 -1.87 -3.26 -1.630 0.70564E+04 88 tridymite -2.05 -2.31 -0.26 -0.088 0.56941E+03 91 troilite-low -5.07 -8.34 -3.27 -1.089 0.70709E+04 100 chalcedony -2.17 -2.31 -0.15 -0.049 0.31826E+03 101 chalcocite -21.89 -23.26 -1.37 -0.343 0.29727E+04 102 covellite -16.15 -17.07 -0.93 -0.353 0.20049E+04 114 chalcopyrite -24.63 -25.41 -0.78 -0.146 0.16952E+04 115 copper,native -1.51 -6.19 -4.67 -1.625 0.10115E+05 116 dolomite,disordered -1.54 -6.29 -4.75 -0.792 0.10290E+05 125 silica-amorphous -1.67 -2.31 -0.65 -0.216 0.14030E+04 129 wurtzite -8.27 -9.71 -1.44 -0.481 0.31242E+04 Calculations done for 200.0000 Deg. C; 500.0000 bar Temperature changed by -5.000 degrees to 195.000 degrees C. Solids and gases carried ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ Test file for CHIM-XPT. Japanese Geothermal Water. Cooling only. See running notes, below. CHIMRUN demo-1 ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ Number of loops used = 9 Loop limit = 470 Temperature = 195.00 C Pressure = 500.00 bar Mixer fraction = 0.0000000 Water: Moles liquid = 0.5567E+02 kg liquid = 0.1003E+01 Moles total = 0.5551E+02 kg total = 0.1000E+01 Activity = 0.9793 Stoichiometric ionic strength = .7748770E+00 Osmotic coef. = 0.8809 True ionic strength = .6037698E+00 Chg. balance for total moles = 0.1440E-04 Max. difference allowed = 0.6633E-04 Log Log Log Species(n) Molality Molality Activity Activity Gamma Gamma 1 H+ 0.15088E-03 -3.8214 0.81235E-04 -4.0903 0.53840E+00 -0.2689 2 H2O 0.97926E+00 -0.0091 0.97926E+00 -0.0091 3 Cl- 0.58198E+00 -0.2351 0.31422E+00 -0.5028 0.53991E+00 -0.2677 4 SO4-- 0.53883E-09 -9.2685 0.40929E-10 -10.3880 0.75959E-01 -1.1194 5 HCO3- 0.43053E-03 -3.3660 0.23910E-03 -3.6214 0.55537E+00 -0.2554 6 HS- 0.12946E-03 -3.8879 0.70112E-04 -4.1542 0.54157E+00 -0.2663 7 H4SiO4 0.43817E-02 -2.3584 0.43817E-02 -2.3584 0.10000E+01 0.0000 8 Ca++ 0.20523E-01 -1.6878 0.14116E-02 -2.8503 0.68781E-01 -1.1625 9 Mg++ 0.69736E-03 -3.1565 0.44419E-04 -4.3524 0.63696E-01 -1.1959 10 Fe++ 0.63191E-07 -7.1993 0.41028E-08 -8.3869 0.64928E-01 -1.1876 11 K+ 0.78497E-01 -1.1051 0.43912E-01 -1.3574 0.55941E+00 -0.2523 12 Na+ 0.45241E+00 -0.3445 0.24456E+00 -0.6116 0.54057E+00 -0.2672 13 Zn++ 0.34569E-08 -8.4613 0.22445E-09 -9.6489 0.64928E-01 -1.1876 14 Cu+ 0.36716E-11 -11.4351 0.19827E-11 -11.7027 0.54002E+00 -0.2676 15 Pb++ 0.95184E-09 -9.0214 0.68554E-10 -10.1640 0.72023E-01 -1.1425 16 HSiO3- 0.21350E-06 -6.6706 0.11527E-06 -6.9383 0.53991E+00 -0.2677 17 Ca(HSiO3)+ 0.34135E-07 -7.4668 0.19163E-07 -7.7175 0.56140E+00 -0.2507 18 Mg(HSiO3)+ 0.91086E-09 -9.0405 0.51136E-09 -9.2913 0.56140E+00 -0.2507 19 NaHSiO3,aq 0.22175E-06 -6.6541 0.22175E-06 -6.6541 0.10000E+01 0.0000 20 CH4,aq 0.48078E-03 -3.3181 0.43316E-03 -3.3634 0.90095E+00 -0.0453 21 C2H6,aq 0.58029E-09 -9.2364 0.52282E-09 -9.2816 0.90095E+00 -0.0453 22 C3H8,aq 0.56597E-14 -14.2472 0.50991E-14 -14.2925 0.90095E+00 -0.0453 23 C4H10,aq 0.53183E-19 -19.2742 0.47916E-19 -19.3195 0.90095E+00 -0.0453 24 ethanol,aq 0.15593E-13 -13.8071 0.14048E-13 -13.8524 0.90095E+00 -0.0453 25 CO,aq 0.49190E-07 -7.3081 0.49190E-07 -7.3081 0.10000E+01 0.0000 26 CO2,aq 0.13592E+00 -0.8667 0.12246E+00 -0.9120 0.90095E+00 -0.0453 27 CO3-2 0.27540E-08 -8.5600 0.20275E-09 -9.6930 0.73621E-01 -1.1330 28 CaCO3,aq 0.35341E-07 -7.4517 0.35341E-07 -7.4517 0.10000E+01 0.0000 29 Ca(HCO3)+ 0.97272E-04 -4.0120 0.54609E-04 -4.2627 0.56140E+00 -0.2507 30 CaCl+ 0.87918E-02 -2.0559 0.49357E-02 -2.3066 0.56140E+00 -0.2507 31 CaCl2,aq 0.44054E-03 -3.3560 0.44054E-03 -3.3560 0.10000E+01 0.0000 32 CaOH+ 0.25930E-06 -6.5862 0.14557E-06 -6.8369 0.56140E+00 -0.2507 33 CaSO4,aq 0.84261E-10 -10.0744 0.84261E-10 -10.0744 0.10000E+01 0.0000 34 HCl,aq 0.16705E-04 -4.7771 0.16705E-04 -4.7771 0.10000E+01 0.0000 38 Cu+2 0.17482E-16 -16.7574 0.11701E-17 -17.9318 0.66931E-01 -1.1744 39 CuCl+ 0.16975E-16 -16.7702 0.95300E-17 -17.0209 0.56140E+00 -0.2507 40 CuCl2,aq 0.12429E-17 -17.9056 0.12429E-17 -17.9056 0.10000E+01 0.0000 41 CuCl3- 0.14766E-19 -19.8307 0.79726E-20 -20.0984 0.53991E+00 -0.2677 43 CuCl,aq 0.29568E-08 -8.5292 0.29568E-08 -8.5292 0.10000E+01 0.0000 44 CuCl2- 0.28133E-07 -7.5508 0.15189E-07 -7.8185 0.53991E+00 -0.2677 45 CuCl3-2 0.20862E-08 -8.6806 0.15359E-09 -9.8136 0.73621E-01 -1.1330 46 CuO,aq 0.11622E-19 -19.9347 0.11622E-19 -19.9347 0.10000E+01 0.0000 47 CuOH+ 0.22708E-18 -18.6438 0.12748E-18 -18.8945 0.56140E+00 -0.2507 50 Fe+3 0.65240E-19 -19.1855 0.17339E-21 -21.7610 0.26578E-02 -2.5755 51 FeCl+ 0.18745E-07 -7.7271 0.10523E-07 -7.9778 0.56140E+00 -0.2507 52 FeCl2,aq 0.13250E-09 -9.8778 0.13250E-09 -9.8778 0.10000E+01 0.0000 53 FeCl+2 0.30485E-18 -18.5159 0.20404E-19 -19.6903 0.66931E-01 -1.1744 54 FeO,aq 0.36043E-13 -13.4432 0.36043E-13 -13.4432 0.10000E+01 0.0000 55 FeOH+ 0.96579E-10 -10.0151 0.54220E-10 -10.2658 0.56140E+00 -0.2507 56 HFeO2- 0.40010E-16 -16.3978 0.21602E-16 -16.6655 0.53991E+00 -0.2677 57 FeO+ 0.32777E-14 -14.4844 0.18401E-14 -14.7352 0.56140E+00 -0.2507 58 FeOH+2 0.76265E-16 -16.1177 0.51045E-17 -17.2920 0.66931E-01 -1.1744 59 FeO2- 0.20394E-16 -16.6905 0.11011E-16 -16.9582 0.53991E+00 -0.2677 60 HFeO2,aq 0.51890E-14 -14.2849 0.51890E-14 -14.2849 0.10000E+01 0.0000 61 H2,aq 0.91656E-05 -5.0378 0.82578E-05 -5.0831 0.90095E+00 -0.0453 62 KCl,aq 0.14804E-02 -2.8296 0.14804E-02 -2.8296 0.10000E+01 0.0000 63 KHSO4,aq 0.80655E-13 -13.0934 0.80655E-13 -13.0934 0.10000E+01 0.0000 64 KOH,aq 0.58390E-08 -8.2337 0.58390E-08 -8.2337 0.10000E+01 0.0000 65 KSO4- 0.20173E-09 -9.6952 0.10892E-09 -9.9629 0.53991E+00 -0.2677 66 MgCO3,aq 0.15087E-09 -9.8214 0.15087E-09 -9.8214 0.10000E+01 0.0000 67 Mg(HCO3)+ 0.29518E-05 -5.5299 0.16571E-05 -5.7806 0.56140E+00 -0.2507 68 MgCl+ 0.16465E-03 -3.7834 0.92437E-04 -4.0342 0.56140E+00 -0.2507 69 MgOH+ 0.28456E-07 -7.5458 0.15975E-07 -7.7966 0.56140E+00 -0.2507 70 NaCl,aq 0.68048E-01 -1.1672 0.68048E-01 -1.1672 0.10000E+01 0.0000 71 NaOH,aq 0.23547E-07 -7.6281 0.23547E-07 -7.6281 0.10000E+01 0.0000 73 OH- 0.17996E-06 -6.7448 0.92819E-07 -7.0324 0.51577E+00 -0.2875 76 PbCl+ 0.10758E-07 -7.9683 0.60393E-08 -8.2190 0.56140E+00 -0.2507 77 PbCl2,aq 0.28464E-07 -7.5457 0.28464E-07 -7.5457 0.10000E+01 0.0000 78 PbCl3- 0.11984E-07 -7.9214 0.64705E-08 -8.1891 0.53991E+00 -0.2677 79 PbCl4-2 0.58356E-08 -8.2339 0.42962E-09 -9.3669 0.73621E-01 -1.1330 80 PbO,aq 0.35827E-13 -13.4458 0.35827E-13 -13.4458 0.10000E+01 0.0000 81 HPbO2- 0.32824E-18 -18.4838 0.17722E-18 -18.7515 0.53991E+00 -0.2677 82 Pb(HS)2,aq 0.49169E-06 -6.3083 0.49169E-06 -6.3083 0.10000E+01 0.0000 83 Pb(HS)3- 0.11045E-08 -8.9568 0.59633E-09 -9.2245 0.53991E+00 -0.2677 84 H2S,aq 0.25680E-01 -1.5904 0.23136E-01 -1.6357 0.90095E+00 -0.0453 85 S2-2 0.19628E-10 -10.7071 0.14450E-11 -11.8401 0.73621E-01 -1.1330 86 S3-2 0.58579E-12 -12.2323 0.43127E-13 -13.3653 0.73621E-01 -1.1330 87 S3- 0.11043E-09 -9.9569 0.59624E-10 -10.2246 0.53991E+00 -0.2677 88 S4-2 0.12454E-13 -13.9047 0.91685E-15 -15.0377 0.73621E-01 -1.1330 89 S5-2 0.19109E-15 -15.7188 0.14068E-16 -16.8518 0.73621E-01 -1.1330 90 SO2,aq 0.39140E-12 -12.4074 0.39140E-12 -12.4074 0.10000E+01 0.0000 91 SO3-2 0.21521E-15 -15.6671 0.19204E-16 -16.7166 0.89234E-01 -1.0495 92 HSO3- 0.11664E-11 -11.9331 0.62976E-12 -12.2008 0.53991E+00 -0.2677 93 HSO4- 0.93983E-10 -10.0270 0.53458E-10 -10.2720 0.56881E+00 -0.2450 95 S2O3-2 0.18163E-12 -12.7408 0.13372E-13 -13.8738 0.73621E-01 -1.1330 96 HS2O3- 0.30139E-14 -14.5209 0.16272E-14 -14.7886 0.53991E+00 -0.2677 97 H2S2O3,aq 0.90973E-17 -17.0411 0.90973E-17 -17.0411 0.10000E+01 0.0000 107 ZnCl+ 0.76587E-06 -6.1158 0.42996E-06 -6.3666 0.56140E+00 -0.2507 108 ZnCl2,aq 0.11485E-06 -6.9399 0.11485E-06 -6.9399 0.10000E+01 0.0000 109 ZnCl3- 0.80495E-08 -8.0942 0.43461E-08 -8.3619 0.53991E+00 -0.2677 110 ZnO,aq 0.24759E-12 -12.6063 0.24759E-12 -12.6063 0.10000E+01 0.0000 111 ZnOH+ 0.33324E-08 -8.4772 0.18708E-08 -8.7280 0.56140E+00 -0.2507 113 HZnO2- 0.14825E-16 -16.8290 0.80043E-17 -17.0967 0.53991E+00 -0.2677 Charge balance for all species = 0.1436E-04 Component Molality Aq.molality ppm log[A(N)/A(H+)**Z] (total) 1 H+ 0.1508824E-03 0.1617657E+00 0.1557192E+03 0.0000 2 H2O 0.1000000E+01 0.5537282E+02 0.9527063E+06 0.0000 3 Cl- 0.5819813E+00 0.6613650E+00 0.2239314E+05 3.5875 4 SO4-- 0.5388291E-09 -.4830816E-03 -.4431913E+02 -2.2075 5 HCO3- 0.4305337E-03 0.1369333E+00 0.7979619E+04 0.4688 6 HS- 0.1294605E-03 0.2629327E-01 0.8304740E+03 -0.0640 7 H4SiO4 0.4381663E-02 0.4382133E-02 0.4022532E+03 -2.3584 8 Ca++ 0.2052340E-01 0.2985330E-01 0.1142666E+04 5.3302 9 Mg++ 0.6973608E-03 0.8649948E-03 0.2008423E+02 3.8281 10 Fe++ 0.6319054E-07 0.8216454E-07 0.4382331E-02 -0.2064 11 K+ 0.7849675E-01 0.7997714E-01 0.2986660E+04 2.7328 12 Na+ 0.4524091E+00 0.5204572E+00 0.1142723E+05 3.4786 13 Zn++ 0.3456861E-08 0.8955571E-06 0.5591041E-01 -1.4684 14 Cu+ 0.3671627E-11 0.3317936E-07 0.2013428E-02 -7.6125 15 Pb++ 0.9518394E-09 0.5507906E-06 0.1089874E+00 -1.9835 Component Tot moles Aq. moles Solid moles Gas moles 1 H+ 0.1632321E+00 0.1622362E+00 0.9959473E-03 0.0000000E+00 2 H2O 0.5550825E+02 0.5553386E+02 -.2560781E-01 0.0000000E+00 3 Cl- 0.6632884E+00 0.6632884E+00 0.0000000E+00 0.0000000E+00 4 SO4-- -.1473305E-02 -.4844866E-03 -.9888187E-03 0.0000000E+00 5 HCO3- 0.1393221E+00 0.1373315E+00 0.1990595E-02 0.0000000E+00 6 HS- 0.2741622E-01 0.2636974E-01 0.1046480E-02 0.0000000E+00 7 H4SiO4 0.1619053E-01 0.4394878E-02 0.1179565E-01 0.0000000E+00 8 Ca++ 0.2994012E-01 0.2994012E-01 0.0000000E+00 0.0000000E+00 9 Mg++ 0.8675104E-03 0.8675104E-03 0.0000000E+00 0.0000000E+00 10 Fe++ 0.2604518E-04 0.8240350E-07 0.2596277E-04 0.0000000E+00 11 K+ 0.8020973E-01 0.8020973E-01 0.0000000E+00 0.0000000E+00 12 Na+ 0.5219708E+00 0.5219708E+00 0.0000000E+00 0.0000000E+00 13 Zn++ 0.5000000E-05 0.8981617E-06 0.4101838E-05 0.0000000E+00 14 Cu+ 0.5000000E-06 0.3327585E-07 0.4667241E-06 0.0000000E+00 15 Pb++ 0.2000000E-05 0.5523924E-06 0.1447608E-05 0.0000000E+00 Chg. balance for solid moles: -.3896E-18 Mass of aqueous solution: 0.105012E+04 g Temperature = 195.00 C Pressure = 500.00 bar Mixer frac. = 0.0000000 Log Log Vol Gas or mineral Moles Moles Grams Grams Wt.% (cm3) graphite 0.1991E-02 -2.701 0.2391E-01 -1.621 3.246 0.1055E-01 pyrite 0.2587E-04 -4.587 0.3104E-02 -2.508 0.4214 0.6193E-03 quartz 0.1180E-01 -1.928 0.7087 -0.150 96.22 0.2676 bornite 0.9334E-07 -7.030 0.4684E-04 -4.329 0.6360E-02 0.9215E-05 galena 0.1448E-05 -5.839 0.3463E-03 -3.460 0.4703E-01 0.4558E-04 sphalerite 0.4102E-05 -5.387 0.3996E-03 -3.398 0.5426E-01 0.9774E-04 Partial press. Fugacity coef Log fugacity Gas or Mineral Mole fraction or activity Activity coef Log activity graphite 0.1000E+01 0.1000E+01 1.0000 0.000 pyrite 0.1000E+01 0.1000E+01 1.0000 0.000 quartz 0.1000E+01 0.1000E+01 1.0000 0.000 bornite 0.1000E+01 0.1000E+01 1.0000 0.000 galena 0.1000E+01 0.1000E+01 1.0000 0.000 sphalerite 0.1000E+01 0.1000E+01 1.0000 0.000 Solid products produced: Mass = 0.736486 g Volume = 0.278952 cm3 WARNING: mineral volume may be in error because some mineral densities were not supplied in SOLTHERM. See mineral list in file Skip_Species.txt. Gas composition at saturation ( 4 iterations) ------------------------------------------------- Temperature: 195.0000 deg.C Sat. pressure: 51.9195 bar Gas Mole fraction phi Fugacity Partial P(bar) H2O,gas 0.4019E+00 0.7655 0.1597E+02 0.2087E+02 CO2,gas 0.5591E+00 0.9597 0.2786E+02 0.2903E+02 CH4,gas 0.1165E-01 1.1004 0.6654E+00 0.6047E+00 H2,gas 0.1525E-03 1.0223 0.8095E-02 0.7919E-02 H2S,gas 0.2719E-01 0.9022 0.1274E+01 0.1412E+01 S2,gas 0.1347E-11 1.0000 0.6993E-10 0.6993E-10 CO,gas 0.1033E-05 1.0000 0.5366E-04 0.5366E-04 SO3,gas 0.7295E-28 1.0000 0.3788E-26 0.3788E-26 O2,gas 0.4561E-44 1.0000 0.2368E-42 0.2368E-42 SO2,gas 0.1186E-12 1.0000 0.6159E-11 0.6159E-11 NON-Ideal mixing with H2O, CO2, CH4 Gases ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ The following gases and minerals are presently in matrix or were just added Gas or Mineral Log K Log Q Log(Q/K) Log(Q/K)/S Affinity Log Fugacity 46 graphite -2.54 -2.54 0.00 0.000 -0.19026E-11 70 pyrite -19.27 -19.27 -0.00 -0.000 0.76105E-11 73 quartz -2.34 -2.34 0.00 0.000 0.00000E+00 98 bornite -72.53 -72.53 0.00 0.000 0.00000E+00 118 galena -10.23 -10.23 -0.00 -0.000 0.76105E-11 128 sphalerite -9.71 -9.71 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 1.49 -0.01 -1.50 -1.496 0.32037E+04 1.203 2 CO2,gas -6.45 -7.70 -1.25 -0.418 0.26863E+04 1.445 3 CH4,gas 5.48 2.60 -2.88 -0.719 0.61607E+04 -0.177 4 H2,gas 7.36 2.57 -4.79 -2.738 0.10263E+05 -2.092 5 H2S,gas -5.65 -8.24 -2.59 -1.297 0.55567E+04 0.105 6 S2,gas -8.78 -21.63 -12.85 -1.978 0.27536E+05 -10.155 7 CO,gas 1.85 -5.12 -6.97 -2.144 0.14930E+05 -4.270 8 SO3,gas 10.56 -18.56 -29.12 -7.280 0.62381E+05 -26.422 9 O2,gas 40.16 -5.16 -45.32 -30.216 0.97093E+05 -42.626 10 SO2,gas -2.07 -15.98 -13.91 -3.709 0.29796E+05 -11.210 11 HCl,gas 0.83 -4.59 -5.43 -2.713 0.11624E+05 -5.426 21 aragonite -0.11 -2.38 -2.27 -0.758 0.48704E+04 23 calcite -0.25 -2.38 -2.13 -0.711 0.45711E+04 28 coesite -1.85 -2.34 -0.49 -0.165 0.10598E+04 30 cristobalite -2.04 -2.34 -0.30 -0.100 0.64017E+03 34 diamond -2.15 -2.54 -0.39 -0.111 0.83056E+03 37 dolomite,ordered -1.82 -6.27 -4.44 -0.740 0.95117E+04 49 halite 1.37 -1.11 -2.49 -1.243 0.53264E+04 56 magnesite -0.83 -3.88 -3.05 -1.016 0.65308E+04 71 pyrrhotite -4.96 -8.45 -3.49 -1.162 0.74695E+04 72 pyrrhotiteFe0.875 -6.30 -8.74 -2.45 -0.899 0.52392E+04 78 siderite -3.48 -7.92 -4.44 -1.478 0.95007E+04 80 stishovite 2.35 -2.34 -4.69 -1.563 0.10043E+05 81 sulfur -8.50 -10.82 -2.32 -0.713 0.49670E+04 82 sylvite 1.40 -1.86 -3.26 -1.630 0.69830E+04 88 tridymite -2.07 -2.34 -0.27 -0.090 0.57625E+03 91 troilite-low -5.03 -8.45 -3.43 -1.142 0.73376E+04 100 chalcedony -2.19 -2.34 -0.15 -0.050 0.31876E+03 101 chalcocite -22.11 -23.47 -1.36 -0.340 0.29112E+04 102 covellite -16.28 -17.14 -0.86 -0.328 0.18463E+04 114 chalcopyrite -24.75 -25.59 -0.85 -0.157 0.18106E+04 115 copper,native -1.58 -6.33 -4.75 -1.652 0.10173E+05 116 dolomite,disordered -1.39 -6.27 -4.88 -0.813 0.10446E+05 125 silica-amorphous -1.68 -2.34 -0.66 -0.220 0.14140E+04 129 wurtzite -8.25 -9.71 -1.46 -0.486 0.31240E+04 Calculations done for 195.0000 Deg. C; 500.0000 bar Temperature changed by -5.000 degrees to 190.000 degrees C. Solids and gases carried ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ Test file for CHIM-XPT. Japanese Geothermal Water. Cooling only. See running notes, below. CHIMRUN demo-1 ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ Number of loops used = 9 Loop limit = 470 Temperature = 190.00 C Pressure = 500.00 bar Mixer fraction = 0.0000000 Water: Moles liquid = 0.5567E+02 kg liquid = 0.1003E+01 Moles total = 0.5551E+02 kg total = 0.1000E+01 Activity = 0.9792 Stoichiometric ionic strength = .7749285E+00 Osmotic coef. = 0.8844 True ionic strength = .6072414E+00 Chg. balance for total moles = 0.1440E-04 Max. difference allowed = 0.6633E-04 Log Log Log Species(n) Molality Molality Activity Activity Gamma Gamma 1 H+ 0.15984E-03 -3.7963 0.86934E-04 -4.0608 0.54387E+00 -0.2645 2 H2O 0.97918E+00 -0.0091 0.97918E+00 -0.0091 3 Cl- 0.58496E+00 -0.2329 0.31900E+00 -0.4962 0.54533E+00 -0.2633 4 SO4-- 0.71653E-09 -9.1448 0.56402E-10 -10.2487 0.78716E-01 -1.1039 5 HCO3- 0.44402E-03 -3.3526 0.24878E-03 -3.6042 0.56028E+00 -0.2516 6 HS- 0.12735E-03 -3.8950 0.69650E-04 -4.1571 0.54693E+00 -0.2621 7 H4SiO4 0.41293E-02 -2.3841 0.41293E-02 -2.3841 0.10000E+01 0.0000 8 Ca++ 0.20999E-01 -1.6778 0.15005E-02 -2.8238 0.71456E-01 -1.1460 9 Mg++ 0.70421E-03 -3.1523 0.46735E-04 -4.3304 0.66364E-01 -1.1781 10 Fe++ 0.49985E-07 -7.3012 0.33788E-08 -8.4712 0.67597E-01 -1.1701 11 K+ 0.78603E-01 -1.1046 0.44339E-01 -1.3532 0.56409E+00 -0.2487 12 Na+ 0.45477E+00 -0.3422 0.24822E+00 -0.6052 0.54581E+00 -0.2630 13 Zn++ 0.35219E-08 -8.4532 0.23807E-09 -9.6233 0.67597E-01 -1.1701 14 Cu+ 0.29470E-11 -11.5306 0.16069E-11 -11.7940 0.54528E+00 -0.2634 15 Pb++ 0.86265E-09 -9.0642 0.64444E-10 -10.1908 0.74706E-01 -1.1266 16 HSiO3- 0.18882E-06 -6.7239 0.10297E-06 -6.9873 0.54533E+00 -0.2633 17 Ca(HSiO3)+ 0.28898E-07 -7.5391 0.16357E-07 -7.7863 0.56603E+00 -0.2472 18 Mg(HSiO3)+ 0.77816E-09 -9.1089 0.44046E-09 -9.3561 0.56603E+00 -0.2472 19 NaHSiO3,aq 0.20239E-06 -6.6938 0.20239E-06 -6.6938 0.10000E+01 0.0000 20 CH4,aq 0.35642E-03 -3.4480 0.32100E-03 -3.4935 0.90060E+00 -0.0455 21 C2H6,aq 0.34367E-09 -9.4639 0.30951E-09 -9.5093 0.90060E+00 -0.0455 22 C3H8,aq 0.28072E-14 -14.5517 0.25281E-14 -14.5972 0.90060E+00 -0.0455 23 C4H10,aq 0.22129E-19 -19.6550 0.19929E-19 -19.7005 0.90060E+00 -0.0455 24 ethanol,aq 0.92971E-14 -14.0317 0.83730E-14 -14.0771 0.90060E+00 -0.0455 25 CO,aq 0.36661E-07 -7.4358 0.36661E-07 -7.4358 0.10000E+01 0.0000 26 CO2,aq 0.13578E+00 -0.8672 0.12229E+00 -0.9126 0.90060E+00 -0.0455 27 CO3-2 0.27527E-08 -8.5602 0.21023E-09 -9.6773 0.76374E-01 -1.1171 28 CaCO3,aq 0.33724E-07 -7.4721 0.33724E-07 -7.4721 0.10000E+01 0.0000 29 Ca(HCO3)+ 0.94808E-04 -4.0232 0.53664E-04 -4.2703 0.56603E+00 -0.2472 30 CaCl+ 0.83479E-02 -2.0784 0.47252E-02 -2.3256 0.56603E+00 -0.2472 31 CaCl2,aq 0.41115E-03 -3.3860 0.41115E-03 -3.3860 0.10000E+01 0.0000 32 CaOH+ 0.20810E-06 -6.6817 0.11779E-06 -6.9289 0.56603E+00 -0.2472 33 CaSO4,aq 0.11098E-09 -9.9548 0.11098E-09 -9.9548 0.10000E+01 0.0000 34 HCl,aq 0.16745E-04 -4.7761 0.16745E-04 -4.7761 0.10000E+01 0.0000 38 Cu+2 0.17073E-16 -16.7677 0.11883E-17 -17.9251 0.69602E-01 -1.1574 39 CuCl+ 0.15626E-16 -16.8062 0.88448E-17 -17.0533 0.56603E+00 -0.2472 40 CuCl2,aq 0.10704E-17 -17.9704 0.10704E-17 -17.9704 0.10000E+01 0.0000 41 CuCl3- 0.12358E-19 -19.9080 0.67394E-20 -20.1714 0.54533E+00 -0.2633 43 CuCl,aq 0.24114E-08 -8.6177 0.24114E-08 -8.6177 0.10000E+01 0.0000 44 CuCl2- 0.22989E-07 -7.6385 0.12536E-07 -7.9018 0.54533E+00 -0.2633 45 CuCl3-2 0.17243E-08 -8.7634 0.13169E-09 -9.8804 0.76374E-01 -1.1171 47 CuOH+ 0.18954E-18 -18.7223 0.10728E-18 -18.9695 0.56603E+00 -0.2472 50 Fe+3 0.53871E-19 -19.2686 0.15571E-21 -21.8077 0.28904E-02 -2.5390 51 FeCl+ 0.13966E-07 -7.8549 0.79052E-08 -8.1021 0.56603E+00 -0.2472 52 FeCl2,aq 0.72320E-10 -10.1407 0.72320E-10 -10.1407 0.10000E+01 0.0000 53 FeCl+2 0.24156E-18 -18.6170 0.16813E-19 -19.7743 0.69602E-01 -1.1574 54 FeO,aq 0.19131E-13 -13.7183 0.19131E-13 -13.7183 0.10000E+01 0.0000 55 FeOH+ 0.63838E-10 -10.1949 0.36134E-10 -10.4421 0.56603E+00 -0.2472 56 HFeO2- 0.18820E-16 -16.7254 0.10263E-16 -16.9887 0.54533E+00 -0.2633 57 FeO+ 0.21755E-14 -14.6624 0.12314E-14 -14.9096 0.56603E+00 -0.2472 58 FeOH+2 0.55309E-16 -16.2572 0.38496E-17 -17.4146 0.69602E-01 -1.1574 59 FeO2- 0.94635E-17 -17.0239 0.51608E-17 -17.2873 0.54533E+00 -0.2633 60 HFeO2,aq 0.29470E-14 -14.5306 0.29470E-14 -14.5306 0.10000E+01 0.0000 61 H2,aq 0.69291E-05 -5.1593 0.62404E-05 -5.2048 0.90060E+00 -0.0455 62 KCl,aq 0.13728E-02 -2.8624 0.13728E-02 -2.8624 0.10000E+01 0.0000 63 KHSO4,aq 0.89082E-13 -13.0502 0.89082E-13 -13.0502 0.10000E+01 0.0000 64 KOH,aq 0.49165E-08 -8.3083 0.49165E-08 -8.3083 0.10000E+01 0.0000 65 KSO4- 0.25524E-09 -9.5931 0.13919E-09 -9.8564 0.54533E+00 -0.2633 66 MgCO3,aq 0.14637E-09 -9.8345 0.14637E-09 -9.8345 0.10000E+01 0.0000 67 Mg(HCO3)+ 0.28616E-05 -5.5434 0.16198E-05 -5.7905 0.56603E+00 -0.2472 68 MgCl+ 0.15789E-03 -3.8017 0.89369E-04 -4.0488 0.56603E+00 -0.2472 69 MgOH+ 0.22917E-07 -7.6398 0.12972E-07 -7.8870 0.56603E+00 -0.2472 70 NaCl,aq 0.65678E-01 -1.1826 0.65678E-01 -1.1826 0.10000E+01 0.0000 71 NaOH,aq 0.20207E-07 -7.6945 0.20207E-07 -7.6945 0.10000E+01 0.0000 73 OH- 0.15509E-06 -6.8094 0.80983E-07 -7.0916 0.52215E+00 -0.2822 76 PbCl+ 0.92302E-08 -8.0348 0.52246E-08 -8.2819 0.56603E+00 -0.2472 77 PbCl2,aq 0.23516E-07 -7.6286 0.23516E-07 -7.6286 0.10000E+01 0.0000 78 PbCl3- 0.96713E-08 -8.0145 0.52741E-08 -8.2779 0.54533E+00 -0.2633 79 PbCl4-2 0.46888E-08 -8.3289 0.35811E-09 -9.4460 0.76374E-01 -1.1171 80 PbO,aq 0.23950E-13 -13.6207 0.23950E-13 -13.6207 0.10000E+01 0.0000 81 HPbO2- 0.19951E-18 -18.7000 0.10880E-18 -18.9634 0.54533E+00 -0.2633 82 Pb(HS)2,aq 0.45452E-06 -6.3424 0.45452E-06 -6.3424 0.10000E+01 0.0000 83 Pb(HS)3- 0.96920E-09 -9.0136 0.52854E-09 -9.2769 0.54533E+00 -0.2633 84 H2S,aq 0.25681E-01 -1.5904 0.23129E-01 -1.6358 0.90060E+00 -0.0455 85 S2-2 0.19803E-10 -10.7033 0.15124E-11 -11.8203 0.76374E-01 -1.1171 86 S3-2 0.71553E-12 -12.1454 0.54648E-13 -13.2624 0.76374E-01 -1.1171 87 S3- 0.13150E-09 -9.8811 0.71713E-10 -10.1444 0.54533E+00 -0.2633 88 S4-2 0.18359E-13 -13.7361 0.14022E-14 -14.8532 0.76374E-01 -1.1171 89 S5-2 0.33875E-15 -15.4701 0.25871E-16 -16.5872 0.76374E-01 -1.1171 90 SO2,aq 0.36976E-12 -12.4321 0.36976E-12 -12.4321 0.10000E+01 0.0000 91 SO3-2 0.23256E-15 -15.6335 0.21402E-16 -16.6696 0.92027E-01 -1.0361 92 HSO3- 0.11982E-11 -11.9215 0.65342E-12 -12.1848 0.54533E+00 -0.2633 93 HSO4- 0.11658E-09 -9.9334 0.66841E-10 -10.1750 0.57334E+00 -0.2416 95 S2O3-2 0.24248E-12 -12.6153 0.18519E-13 -13.7324 0.76374E-01 -1.1171 96 HS2O3- 0.39141E-14 -14.4074 0.21345E-14 -14.6707 0.54533E+00 -0.2633 97 H2S2O3,aq 0.11694E-16 -16.9320 0.11694E-16 -16.9320 0.10000E+01 0.0000 107 ZnCl+ 0.65974E-06 -6.1806 0.37343E-06 -6.4278 0.56603E+00 -0.2472 108 ZnCl2,aq 0.97033E-07 -7.0131 0.97033E-07 -7.0131 0.10000E+01 0.0000 109 ZnCl3- 0.68096E-08 -8.1669 0.37135E-08 -8.4302 0.54533E+00 -0.2633 110 ZnO,aq 0.17434E-12 -12.7586 0.17434E-12 -12.7586 0.10000E+01 0.0000 111 ZnOH+ 0.26790E-08 -8.5720 0.15164E-08 -8.8192 0.56603E+00 -0.2472 113 HZnO2- 0.92760E-17 -17.0326 0.50585E-17 -17.2960 0.54533E+00 -0.2633 Charge balance for all species = 0.1436E-04 Component Molality Aq.molality ppm log[A(N)/A(H+)**Z] (total) 1 H+ 0.1598443E-03 0.1616388E+00 0.1556018E+03 -0.0000 2 H2O 0.1000000E+01 0.5537283E+02 0.9527358E+06 0.0000 3 Cl- 0.5849594E+00 0.6613561E+00 0.2239353E+05 3.5646 4 SO4-- 0.7165294E-09 -.3581652E-03 -.3285999E+02 -2.1271 5 HCO3- 0.4440212E-03 0.1366816E+00 0.7965199E+04 0.4566 6 HS- 0.1273483E-03 0.2616780E-01 0.8265363E+03 -0.0963 7 H4SiO4 0.4129344E-02 0.4129765E-02 0.3790989E+03 -2.3841 8 Ca++ 0.2099876E-01 0.2985290E-01 0.1142686E+04 5.2979 9 Mg++ 0.7042113E-03 0.8649832E-03 0.2008457E+02 3.7913 10 Fe++ 0.4998461E-07 0.6408674E-07 0.3418238E-02 -0.3496 11 K+ 0.7860324E-01 0.7997606E-01 0.2986711E+04 2.7076 12 Na+ 0.4547720E+00 0.5204502E+00 0.1142743E+05 3.4556 13 Zn++ 0.3521904E-08 0.7697819E-06 0.4805964E-01 -1.5017 14 Cu+ 0.2947009E-11 0.2712714E-07 0.1646211E-02 -7.7332 15 Pb++ 0.8626453E-09 0.5034565E-06 0.9962424E-01 -2.0692 Component Tot moles Aq. moles Solid moles Gas moles 1 H+ 0.1632321E+00 0.1621111E+00 0.1121054E-02 0.0000000E+00 2 H2O 0.5550825E+02 0.5553461E+02 -.2636448E-01 0.0000000E+00 3 Cl- 0.6632884E+00 0.6632884E+00 0.0000000E+00 0.0000000E+00 4 SO4-- -.1473305E-02 -.3592116E-03 -.1114094E-02 0.0000000E+00 5 HCO3- 0.1393221E+00 0.1370809E+00 0.2241154E-02 0.0000000E+00 6 HS- 0.2741622E-01 0.2624425E-01 0.1171968E-02 0.0000000E+00 7 H4SiO4 0.1619053E-01 0.4141831E-02 0.1204870E-01 0.0000000E+00 8 Ca++ 0.2994012E-01 0.2994012E-01 0.0000000E+00 0.0000000E+00 9 Mg++ 0.8675104E-03 0.8675104E-03 0.0000000E+00 0.0000000E+00 10 Fe++ 0.2604518E-04 0.6427399E-07 0.2598090E-04 0.0000000E+00 11 K+ 0.8020973E-01 0.8020973E-01 0.0000000E+00 0.0000000E+00 12 Na+ 0.5219708E+00 0.5219708E+00 0.0000000E+00 0.0000000E+00 13 Zn++ 0.5000000E-05 0.7720310E-06 0.4227969E-05 0.0000000E+00 14 Cu+ 0.5000000E-06 0.2720640E-07 0.4727936E-06 0.0000000E+00 15 Pb++ 0.2000000E-05 0.5049275E-06 0.1495073E-05 0.0000000E+00 Chg. balance for solid moles: -.3981E-19 Mass of aqueous solution: 0.105011E+04 g Temperature = 190.00 C Pressure = 500.00 bar Mixer frac. = 0.0000000 Log Log Vol Gas or mineral Moles Moles Grams Grams Wt.% (cm3) graphite 0.2241E-02 -2.650 0.2692E-01 -1.570 3.566 0.1188E-01 pyrite 0.2589E-04 -4.587 0.3106E-02 -2.508 0.4115 0.6197E-03 quartz 0.1205E-01 -1.919 0.7239 -0.140 95.91 0.2734 bornite 0.9456E-07 -7.024 0.4745E-04 -4.324 0.6287E-02 0.9335E-05 galena 0.1495E-05 -5.825 0.3577E-03 -3.446 0.4739E-01 0.4708E-04 sphalerite 0.4228E-05 -5.374 0.4119E-03 -3.385 0.5458E-01 0.1007E-03 Partial press. Fugacity coef Log fugacity Gas or Mineral Mole fraction or activity Activity coef Log activity graphite 0.1000E+01 0.1000E+01 1.0000 0.000 pyrite 0.1000E+01 0.1000E+01 1.0000 0.000 quartz 0.1000E+01 0.1000E+01 1.0000 0.000 bornite 0.1000E+01 0.1000E+01 1.0000 0.000 galena 0.1000E+01 0.1000E+01 1.0000 0.000 sphalerite 0.1000E+01 0.1000E+01 1.0000 0.000 Solid products produced: Mass = 0.754725 g Volume = 0.286026 cm3 WARNING: mineral volume may be in error because some mineral densities were not supplied in SOLTHERM. See mineral list in file Skip_Species.txt. Gas composition at saturation ( 3 iterations) ------------------------------------------------- Temperature: 190.0000 deg.C Sat. pressure: 50.1186 bar Gas Mole fraction phi Fugacity Partial P(bar) H2O,gas 0.3739E+00 0.7705 0.1444E+02 0.1874E+02 CO2,gas 0.5881E+00 0.9571 0.2821E+02 0.2947E+02 CH4,gas 0.9465E-02 1.0928 0.5184E+00 0.4744E+00 H2,gas 0.1248E-03 1.0218 0.6392E-02 0.6256E-02 H2S,gas 0.2841E-01 0.9024 0.1285E+01 0.1424E+01 S2,gas 0.1412E-11 1.0000 0.7074E-10 0.7074E-10 CO,gas 0.8473E-06 1.0000 0.4247E-04 0.4247E-04 SO3,gas 0.5406E-28 1.0000 0.2709E-26 0.2709E-26 O2,gas 0.1607E-44 1.0000 0.8053E-43 0.8053E-43 SO2,gas 0.1145E-12 1.0000 0.5739E-11 0.5739E-11 NON-Ideal mixing with H2O, CO2, CH4 Gases ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ The following gases and minerals are presently in matrix or were just added Gas or Mineral Log K Log Q Log(Q/K) Log(Q/K)/S Affinity Log Fugacity 46 graphite -2.58 -2.58 0.00 0.000 -0.18823E-11 70 pyrite -19.31 -19.31 0.00 0.000 0.00000E+00 73 quartz -2.37 -2.37 0.00 0.000 0.00000E+00 98 bornite -73.15 -73.15 0.00 0.000 0.00000E+00 118 galena -10.29 -10.29 -0.00 -0.000 0.37646E-11 128 sphalerite -9.72 -9.72 -0.00 -0.000 0.75293E-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 1.53 -0.01 -1.54 -1.539 0.32625E+04 1.160 2 CO2,gas -6.41 -7.66 -1.25 -0.416 0.26460E+04 1.450 3 CH4,gas 5.46 2.48 -2.98 -0.746 0.63246E+04 -0.285 4 H2,gas 7.42 2.53 -4.89 -2.796 0.10370E+05 -2.194 5 H2S,gas -5.63 -8.22 -2.59 -1.295 0.54893E+04 0.109 6 S2,gas -8.64 -21.49 -12.85 -1.977 0.27231E+05 -10.150 7 CO,gas 1.95 -5.12 -7.07 -2.176 0.14985E+05 -4.372 8 SO3,gas 10.90 -18.36 -29.27 -7.317 0.62024E+05 -26.567 9 O2,gas 40.72 -5.08 -45.79 -30.529 0.97049E+05 -43.094 10 SO2,gas -1.88 -15.82 -13.94 -3.717 0.29543E+05 -11.241 11 HCl,gas 0.95 -4.56 -5.51 -2.754 0.11673E+05 -5.508 21 aragonite -0.04 -2.37 -2.32 -0.774 0.49240E+04 23 calcite -0.18 -2.37 -2.18 -0.728 0.46284E+04 28 coesite -1.87 -2.37 -0.50 -0.166 0.10585E+04 30 cristobalite -2.06 -2.37 -0.31 -0.102 0.64800E+03 34 diamond -2.19 -2.58 -0.39 -0.111 0.82542E+03 37 dolomite,ordered -1.69 -6.24 -4.55 -0.759 0.96485E+04 49 halite 1.39 -1.10 -2.49 -1.246 0.52832E+04 56 magnesite -0.75 -3.87 -3.12 -1.040 0.66132E+04 71 pyrrhotite -4.91 -8.57 -3.65 -1.218 0.77416E+04 72 pyrrhotiteFe0.875 -6.27 -8.84 -2.57 -0.946 0.54483E+04 78 siderite -3.43 -8.01 -4.59 -1.529 0.97221E+04 80 stishovite 2.36 -2.37 -4.73 -1.576 0.10022E+05 81 sulfur -8.51 -10.75 -2.24 -0.690 0.47501E+04 82 sylvite 1.41 -1.85 -3.26 -1.630 0.69078E+04 88 tridymite -2.09 -2.37 -0.28 -0.092 0.58281E+03 91 troilite-low -4.98 -8.57 -3.59 -1.196 0.76033E+04 100 chalcedony -2.22 -2.37 -0.15 -0.050 0.31917E+03 101 chalcocite -22.34 -23.68 -1.34 -0.336 0.28498E+04 102 covellite -16.42 -17.22 -0.80 -0.304 0.16886E+04 114 chalcopyrite -24.87 -25.78 -0.91 -0.169 0.19256E+04 115 copper,native -1.64 -6.47 -4.83 -1.679 0.10230E+05 125 silica-amorphous -1.69 -2.37 -0.67 -0.224 0.14248E+04 129 wurtzite -8.25 -9.72 -1.47 -0.491 0.31240E+04 Calculations done for 190.0000 Deg. C; 500.0000 bar Temperature changed by -5.000 degrees to 185.000 degrees C. Solids and gases carried ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ Test file for CHIM-XPT. Japanese Geothermal Water. Cooling only. See running notes, below. CHIMRUN demo-1 ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ Number of loops used = 9 Loop limit = 470 Temperature = 185.00 C Pressure = 500.00 bar Mixer fraction = 0.0000000 Water: Moles liquid = 0.5567E+02 kg liquid = 0.1003E+01 Moles total = 0.5551E+02 kg total = 0.1000E+01 Activity = 0.9791 Stoichiometric ionic strength = .7749656E+00 Osmotic coef. = 0.8879 True ionic strength = .6105687E+00 Chg. balance for total moles = 0.1440E-04 Max. difference allowed = 0.6633E-04 Log Log Log Species(n) Molality Molality Activity Activity Gamma Gamma 1 H+ 0.16902E-03 -3.7721 0.92857E-04 -4.0322 0.54938E+00 -0.2601 2 H2O 0.97909E+00 -0.0092 0.97909E+00 -0.0092 3 Cl- 0.58781E+00 -0.2308 0.32372E+00 -0.4898 0.55073E+00 -0.2591 4 SO4-- 0.95573E-09 -9.0197 0.77948E-10 -10.1082 0.81559E-01 -1.0885 5 HCO3- 0.45784E-03 -3.3393 0.25875E-03 -3.5871 0.56515E+00 -0.2478 6 HS- 0.12510E-03 -3.9027 0.69088E-04 -4.1606 0.55226E+00 -0.2579 7 H4SiO4 0.38869E-02 -2.4104 0.38869E-02 -2.4104 0.10000E+01 0.0000 8 Ca++ 0.21453E-01 -1.6685 0.15923E-02 -2.7980 0.74225E-01 -1.1295 9 Mg++ 0.71068E-03 -3.1483 0.49135E-04 -4.3086 0.69138E-01 -1.1603 10 Fe++ 0.39195E-07 -7.4068 0.27581E-08 -8.5594 0.70369E-01 -1.1526 11 K+ 0.78703E-01 -1.1040 0.44760E-01 -1.3491 0.56871E+00 -0.2451 12 Na+ 0.45704E+00 -0.3400 0.25184E+00 -0.5989 0.55102E+00 -0.2588 13 Zn++ 0.35717E-08 -8.4471 0.25134E-09 -9.5997 0.70369E-01 -1.1526 14 Cu+ 0.23478E-11 -11.6293 0.12925E-11 -11.8886 0.55051E+00 -0.2592 15 Pb++ 0.77583E-09 -9.1102 0.60109E-10 -10.2211 0.77476E-01 -1.1108 16 HSiO3- 0.16654E-06 -6.7785 0.91716E-07 -7.0376 0.55073E+00 -0.2591 17 Ca(HSiO3)+ 0.24395E-07 -7.6127 0.13920E-07 -7.8564 0.57060E+00 -0.2437 18 Mg(HSiO3)+ 0.66354E-09 -9.1781 0.37862E-09 -9.4218 0.57060E+00 -0.2437 19 NaHSiO3,aq 0.18459E-06 -6.7338 0.18459E-06 -6.7338 0.10000E+01 0.0000 20 CH4,aq 0.26320E-03 -3.5797 0.23697E-03 -3.6253 0.90034E+00 -0.0456 21 C2H6,aq 0.20195E-09 -9.6947 0.18183E-09 -9.7403 0.90034E+00 -0.0456 22 C3H8,aq 0.13765E-14 -14.8612 0.12393E-14 -14.9068 0.90034E+00 -0.0456 24 ethanol,aq 0.54882E-14 -14.2606 0.49413E-14 -14.3062 0.90034E+00 -0.0456 25 CO,aq 0.27188E-07 -7.5656 0.27188E-07 -7.5656 0.10000E+01 0.0000 26 CO2,aq 0.13568E+00 -0.8675 0.12216E+00 -0.9131 0.90034E+00 -0.0456 27 CO3-2 0.27486E-08 -8.5609 0.21774E-09 -9.6621 0.79218E-01 -1.1012 28 CaCO3,aq 0.32150E-07 -7.4928 0.32150E-07 -7.4928 0.10000E+01 0.0000 29 Ca(HCO3)+ 0.92389E-04 -4.0344 0.52717E-04 -4.2780 0.57060E+00 -0.2437 30 CaCl+ 0.79228E-02 -2.1011 0.45207E-02 -2.3448 0.57060E+00 -0.2437 31 CaCl2,aq 0.38423E-03 -3.4154 0.38423E-03 -3.4154 0.10000E+01 0.0000 32 CaOH+ 0.16623E-06 -6.7793 0.94851E-07 -7.0230 0.57060E+00 -0.2437 33 CaSO4,aq 0.14668E-09 -9.8336 0.14668E-09 -9.8336 0.10000E+01 0.0000 34 HCl,aq 0.16792E-04 -4.7749 0.16792E-04 -4.7749 0.10000E+01 0.0000 38 Cu+2 0.16559E-16 -16.7810 0.11984E-17 -17.9214 0.72372E-01 -1.1404 39 CuCl+ 0.14302E-16 -16.8446 0.81608E-17 -17.0883 0.57060E+00 -0.2437 40 CuCl2,aq 0.91789E-18 -18.0372 0.91789E-18 -18.0372 0.10000E+01 0.0000 41 CuCl3- 0.10306E-19 -19.9869 0.56760E-20 -20.2460 0.55073E+00 -0.2591 43 CuCl,aq 0.19547E-08 -8.7089 0.19547E-08 -8.7089 0.10000E+01 0.0000 44 CuCl2- 0.18674E-07 -7.7288 0.10284E-07 -7.9878 0.55073E+00 -0.2591 45 CuCl3-2 0.14175E-08 -8.8485 0.11229E-09 -9.9496 0.79218E-01 -1.1012 47 CuOH+ 0.15696E-18 -18.8042 0.89562E-19 -19.0479 0.57060E+00 -0.2437 50 Fe+3 0.43983E-19 -19.3567 0.13822E-21 -21.8594 0.31426E-02 -2.5027 51 FeCl+ 0.10328E-07 -7.9860 0.58931E-08 -8.2297 0.57060E+00 -0.2437 52 FeCl2,aq 0.38965E-10 -10.4093 0.38965E-10 -10.4093 0.10000E+01 0.0000 53 FeCl+2 0.18947E-18 -18.7225 0.13712E-19 -19.8629 0.72372E-01 -1.1404 54 FeO,aq 0.10029E-13 -13.9987 0.10029E-13 -13.9987 0.10000E+01 0.0000 55 FeOH+ 0.41779E-10 -10.3790 0.23839E-10 -10.6227 0.57060E+00 -0.2437 56 HFeO2- 0.87383E-17 -17.0586 0.48124E-17 -17.3176 0.55073E+00 -0.2591 57 FeO+ 0.14257E-14 -14.8460 0.81352E-15 -15.0896 0.57060E+00 -0.2437 58 FeOH+2 0.39633E-16 -16.4019 0.28683E-17 -17.5424 0.72372E-01 -1.1404 59 FeO2- 0.43198E-17 -17.3645 0.23790E-17 -17.6236 0.55073E+00 -0.2591 60 HFeO2,aq 0.16485E-14 -14.7829 0.16485E-14 -14.7829 0.10000E+01 0.0000 61 H2,aq 0.52143E-05 -5.2828 0.46947E-05 -5.3284 0.90034E+00 -0.0456 62 KCl,aq 0.12720E-02 -2.8955 0.12720E-02 -2.8955 0.10000E+01 0.0000 63 KHSO4,aq 0.98453E-13 -13.0068 0.98453E-13 -13.0068 0.10000E+01 0.0000 64 KOH,aq 0.41276E-08 -8.3843 0.41276E-08 -8.3843 0.10000E+01 0.0000 65 KSO4- 0.32425E-09 -9.4891 0.17857E-09 -9.7482 0.55073E+00 -0.2591 66 MgCO3,aq 0.14206E-09 -9.8475 0.14206E-09 -9.8475 0.10000E+01 0.0000 67 Mg(HCO3)+ 0.27755E-05 -5.5567 0.15837E-05 -5.8003 0.57060E+00 -0.2437 68 MgCl+ 0.15150E-03 -3.8196 0.86443E-04 -4.0633 0.57060E+00 -0.2437 69 MgOH+ 0.18406E-07 -7.7351 0.10502E-07 -7.9787 0.57060E+00 -0.2437 70 NaCl,aq 0.63401E-01 -1.1979 0.63401E-01 -1.1979 0.10000E+01 0.0000 71 NaOH,aq 0.17295E-07 -7.7621 0.17295E-07 -7.7621 0.10000E+01 0.0000 73 OH- 0.13324E-06 -6.8754 0.70425E-07 -7.1523 0.52857E+00 -0.2769 76 PbCl+ 0.78679E-08 -8.1041 0.44894E-08 -8.3478 0.57060E+00 -0.2437 77 PbCl2,aq 0.19306E-07 -7.7143 0.19306E-07 -7.7143 0.10000E+01 0.0000 78 PbCl3- 0.77576E-08 -8.1103 0.42723E-08 -8.3693 0.55073E+00 -0.2591 79 PbCl4-2 0.37454E-08 -8.4265 0.29670E-09 -9.5277 0.79218E-01 -1.1012 80 PbO,aq 0.15840E-13 -13.8002 0.15840E-13 -13.8002 0.10000E+01 0.0000 81 HPbO2- 0.11975E-18 -18.9217 0.65950E-19 -19.1808 0.55073E+00 -0.2591 82 Pb(HS)2,aq 0.41885E-06 -6.3779 0.41885E-06 -6.3779 0.10000E+01 0.0000 83 Pb(HS)3- 0.84785E-09 -9.0717 0.46694E-09 -9.3307 0.55073E+00 -0.2591 84 H2S,aq 0.25683E-01 -1.5904 0.23124E-01 -1.6359 0.90034E+00 -0.0456 85 S2-2 0.19953E-10 -10.7000 0.15806E-11 -11.8012 0.79218E-01 -1.1012 86 S3-2 0.87502E-12 -12.0580 0.69317E-13 -13.1592 0.79218E-01 -1.1012 87 S3- 0.15709E-09 -9.8038 0.86516E-10 -10.0629 0.55073E+00 -0.2591 88 S4-2 0.27161E-13 -13.5661 0.21517E-14 -14.6672 0.79218E-01 -1.1012 89 S5-2 0.60405E-15 -15.2189 0.47852E-16 -16.3201 0.79218E-01 -1.1012 90 SO2,aq 0.34799E-12 -12.4584 0.34799E-12 -12.4584 0.10000E+01 0.0000 91 SO3-2 0.25095E-15 -15.6004 0.23812E-16 -16.6232 0.94886E-01 -1.0228 92 HSO3- 0.12281E-11 -11.9108 0.67634E-12 -12.1698 0.55073E+00 -0.2591 93 HSO4- 0.14481E-09 -9.8392 0.83673E-10 -10.0774 0.57781E+00 -0.2382 95 S2O3-2 0.32438E-12 -12.4889 0.25697E-13 -13.5901 0.79218E-01 -1.1012 96 HS2O3- 0.50891E-14 -14.2934 0.28027E-14 -14.5524 0.55073E+00 -0.2591 97 H2S2O3,aq 0.15020E-16 -16.8233 0.15020E-16 -16.8233 0.10000E+01 0.0000 107 ZnCl+ 0.56496E-06 -6.2480 0.32237E-06 -6.4916 0.57060E+00 -0.2437 108 ZnCl2,aq 0.81630E-07 -7.0882 0.81630E-07 -7.0882 0.10000E+01 0.0000 109 ZnCl3- 0.57434E-08 -8.2408 0.31630E-08 -8.4999 0.55073E+00 -0.2591 110 ZnO,aq 0.12174E-12 -12.9146 0.12174E-12 -12.9146 0.10000E+01 0.0000 111 ZnOH+ 0.21378E-08 -8.6700 0.12198E-08 -8.9137 0.57060E+00 -0.2437 113 HZnO2- 0.57554E-17 -17.2399 0.31697E-17 -17.4990 0.55073E+00 -0.2591 Charge balance for all species = 0.1436E-04 Component Molality Aq.molality ppm log[A(N)/A(H+)**Z] (total) 1 H+ 0.1690207E-03 0.1615434E+00 0.1555143E+03 0.0000 2 H2O 0.1000000E+01 0.5537284E+02 0.9527627E+06 0.0000 3 Cl- 0.5878146E+00 0.6613482E+00 0.2239389E+05 3.5424 4 SO4-- 0.9557272E-09 -.2645095E-03 -.2426820E+02 -2.0438 5 HCO3- 0.4578373E-03 0.1364927E+00 0.7954411E+04 0.4451 6 HS- 0.1250993E-03 0.2607365E-01 0.8235855E+03 -0.1284 7 H4SiO4 0.3886922E-02 0.3887298E-02 0.3568513E+03 -2.4104 8 Ca++ 0.2145291E-01 0.2985254E-01 0.1142704E+04 5.2664 9 Mg++ 0.7106830E-03 0.8649729E-03 0.2008490E+02 3.7558 10 Fe++ 0.3919468E-07 0.4960331E-07 0.2645800E-02 -0.4950 11 K+ 0.7870306E-01 0.7997511E-01 0.2986760E+04 2.6831 12 Na+ 0.4570426E+00 0.5204440E+00 0.1142762E+05 3.4333 13 Zn++ 0.3571714E-08 0.6580459E-06 0.4108479E-01 -1.5354 14 Cu+ 0.2347813E-11 0.2204872E-07 0.1338064E-02 -7.8564 15 Pb++ 0.7758317E-09 0.4591485E-06 0.9085909E-01 -2.1567 Component Tot moles Aq. moles Solid moles Gas moles 1 H+ 0.1632321E+00 0.1620173E+00 0.1214827E-02 0.0000000E+00 2 H2O 0.5550825E+02 0.5553529E+02 -.2703861E-01 0.0000000E+00 3 Cl- 0.6632884E+00 0.6632884E+00 0.0000000E+00 0.0000000E+00 4 SO4-- -.1473305E-02 -.2652855E-03 -.1208020E-02 0.0000000E+00 5 HCO3- 0.1393221E+00 0.1368931E+00 0.2429013E-02 0.0000000E+00 6 HS- 0.2741622E-01 0.2615014E-01 0.1266081E-02 0.0000000E+00 7 H4SiO4 0.1619053E-01 0.3898702E-02 0.1229183E-01 0.0000000E+00 8 Ca++ 0.2994012E-01 0.2994012E-01 0.0000000E+00 0.0000000E+00 9 Mg++ 0.8675104E-03 0.8675104E-03 0.0000000E+00 0.0000000E+00 10 Fe++ 0.2604518E-04 0.4974883E-07 0.2599543E-04 0.0000000E+00 11 K+ 0.8020973E-01 0.8020973E-01 0.0000000E+00 0.0000000E+00 12 Na+ 0.5219708E+00 0.5219708E+00 0.0000000E+00 0.0000000E+00 13 Zn++ 0.5000000E-05 0.6599764E-06 0.4340024E-05 0.0000000E+00 14 Cu+ 0.5000000E-06 0.2211340E-07 0.4778866E-06 0.0000000E+00 15 Pb++ 0.2000000E-05 0.4604955E-06 0.1539505E-05 0.0000000E+00 Chg. balance for solid moles: 0.9233E-19 Mass of aqueous solution: 0.105009E+04 g Temperature = 185.00 C Pressure = 500.00 bar Mixer frac. = 0.0000000 Log Log Vol Gas or mineral Moles Moles Grams Grams Wt.% (cm3) graphite 0.2429E-02 -2.615 0.2917E-01 -1.535 3.781 0.1287E-01 pyrite 0.2590E-04 -4.587 0.3107E-02 -2.508 0.4027 0.6200E-03 quartz 0.1229E-01 -1.910 0.7385 -0.132 95.71 0.2789 bornite 0.9558E-07 -7.020 0.4796E-04 -4.319 0.6216E-02 0.9436E-05 galena 0.1540E-05 -5.813 0.3683E-03 -3.434 0.4773E-01 0.4848E-04 sphalerite 0.4340E-05 -5.363 0.4228E-03 -3.374 0.5480E-01 0.1034E-03 Partial press. Fugacity coef Log fugacity Gas or Mineral Mole fraction or activity Activity coef Log activity graphite 0.1000E+01 0.1000E+01 1.0000 0.000 pyrite 0.1000E+01 0.1000E+01 1.0000 0.000 quartz 0.1000E+01 0.1000E+01 1.0000 0.000 bornite 0.1000E+01 0.1000E+01 1.0000 0.000 galena 0.1000E+01 0.1000E+01 1.0000 0.000 sphalerite 0.1000E+01 0.1000E+01 1.0000 0.000 Solid products produced: Mass = 0.771612 g Volume = 0.292542 cm3 WARNING: mineral volume may be in error because some mineral densities were not supplied in SOLTHERM. See mineral list in file Skip_Species.txt. Gas composition at saturation ( 3 iterations) ------------------------------------------------- Temperature: 185.0000 deg.C Sat. pressure: 48.4655 bar Gas Mole fraction phi Fugacity Partial P(bar) H2O,gas 0.3462E+00 0.7754 0.1301E+02 0.1678E+02 CO2,gas 0.6165E+00 0.9546 0.2852E+02 0.2988E+02 CH4,gas 0.7634E-02 1.0857 0.4017E+00 0.3700E+00 H2,gas 0.1015E-03 1.0213 0.5022E-02 0.4917E-02 H2S,gas 0.2959E-01 0.9024 0.1294E+01 0.1434E+01 S2,gas 0.1471E-11 1.0000 0.7127E-10 0.7127E-10 CO,gas 0.6889E-06 1.0000 0.3339E-04 0.3339E-04 SO3,gas 0.3945E-28 1.0000 0.1912E-26 0.1912E-26 O2,gas 0.5493E-45 1.0000 0.2662E-43 0.2662E-43 SO2,gas 0.1096E-12 1.0000 0.5314E-11 0.5314E-11 NON-Ideal mixing with H2O, CO2, CH4 Gases ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ The following gases and minerals are presently in matrix or were just added Gas or Mineral Log K Log Q Log(Q/K) Log(Q/K)/S Affinity Log Fugacity 46 graphite -2.62 -2.62 0.00 0.000 -0.18620E-11 70 pyrite -19.37 -19.37 0.00 0.000 -0.74480E-11 73 quartz -2.39 -2.39 0.00 0.000 0.00000E+00 98 bornite -73.79 -73.79 -0.00 -0.000 0.29792E-10 118 galena -10.35 -10.35 0.00 0.000 -0.37240E-11 128 sphalerite -9.73 -9.73 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 1.58 -0.01 -1.58 -1.585 0.33221E+04 1.114 2 CO2,gas -6.37 -7.61 -1.24 -0.415 0.26076E+04 1.455 3 CH4,gas 5.45 2.35 -3.10 -0.774 0.64887E+04 -0.396 4 H2,gas 7.48 2.49 -5.00 -2.856 0.10478E+05 -2.299 5 H2S,gas -5.61 -8.19 -2.59 -1.294 0.54235E+04 0.112 6 S2,gas -8.51 -21.36 -12.85 -1.976 0.26931E+05 -10.147 7 CO,gas 2.06 -5.12 -7.18 -2.208 0.15043E+05 -4.476 8 SO3,gas 11.25 -18.16 -29.42 -7.354 0.61671E+05 -26.719 9 O2,gas 41.28 -4.99 -46.27 -30.849 0.97009E+05 -43.575 10 SO2,gas -1.69 -15.67 -13.97 -3.726 0.29294E+05 -11.275 11 HCl,gas 1.07 -4.52 -5.59 -2.796 0.11724E+05 -5.592 21 aragonite 0.02 -2.35 -2.37 -0.791 0.49756E+04 23 calcite -0.12 -2.35 -2.23 -0.745 0.46836E+04 28 coesite -1.89 -2.39 -0.50 -0.168 0.10572E+04 30 cristobalite -2.08 -2.39 -0.31 -0.104 0.65568E+03 34 diamond -2.23 -2.62 -0.39 -0.112 0.82029E+03 37 dolomite,ordered -1.55 -6.22 -4.67 -0.778 0.97803E+04 49 halite 1.41 -1.09 -2.50 -1.250 0.52390E+04 56 magnesite -0.67 -3.86 -3.19 -1.064 0.66927E+04 71 pyrrhotite -4.87 -8.69 -3.82 -1.274 0.80125E+04 72 pyrrhotiteFe0.875 -6.24 -8.93 -2.70 -0.992 0.56566E+04 78 siderite -3.37 -8.11 -4.74 -1.581 0.99428E+04 80 stishovite 2.38 -2.39 -4.77 -1.590 0.10002E+05 81 sulfur -8.52 -10.68 -2.16 -0.666 0.45346E+04 82 sylvite 1.42 -1.84 -3.26 -1.629 0.68309E+04 88 tridymite -2.11 -2.39 -0.28 -0.094 0.58909E+03 91 troilite-low -4.93 -8.69 -3.75 -1.251 0.78678E+04 100 chalcedony -2.24 -2.39 -0.15 -0.051 0.31949E+03 101 chalcocite -22.58 -23.91 -1.33 -0.333 0.27887E+04 102 covellite -16.56 -17.29 -0.73 -0.278 0.15318E+04 114 chalcopyrite -25.01 -25.98 -0.97 -0.181 0.20403E+04 115 copper,native -1.71 -6.61 -4.91 -1.707 0.10287E+05 125 silica-amorphous -1.71 -2.39 -0.68 -0.228 0.14355E+04 129 wurtzite -8.24 -9.73 -1.49 -0.497 0.31243E+04 Calculations done for 185.0000 Deg. C; 500.0000 bar Temperature changed by -5.000 degrees to 180.000 degrees C. Solids and gases carried ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ Test file for CHIM-XPT. Japanese Geothermal Water. Cooling only. See running notes, below. CHIMRUN demo-1 ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ Number of loops used = 9 Loop limit = 470 Temperature = 180.00 C Pressure = 500.00 bar Mixer fraction = 0.0000000 Water: Moles liquid = 0.5567E+02 kg liquid = 0.1003E+01 Moles total = 0.5551E+02 kg total = 0.1000E+01 Activity = 0.9790 Stoichiometric ionic strength = .7749918E+00 Osmotic coef. = 0.8913 True ionic strength = .6137554E+00 Chg. balance for total moles = 0.1440E-04 Max. difference allowed = 0.6633E-04 Log Log Log Species(n) Molality Molality Activity Activity Gamma Gamma 1 H+ 0.17839E-03 -3.7486 0.99000E-04 -4.0044 0.55496E+00 -0.2557 2 H2O 0.97901E+00 -0.0092 0.97901E+00 -0.0092 3 Cl- 0.59055E+00 -0.2287 0.32840E+00 -0.4836 0.55609E+00 -0.2549 4 SO4-- 0.12785E-08 -8.8933 0.10802E-09 -9.9665 0.84491E-01 -1.0732 5 HCO3- 0.47195E-03 -3.3261 0.26900E-03 -3.5702 0.56997E+00 -0.2441 6 HS- 0.12272E-03 -3.9111 0.68425E-04 -4.1648 0.55757E+00 -0.2537 7 H4SiO4 0.36544E-02 -2.4372 0.36544E-02 -2.4372 0.10000E+01 0.0000 8 Ca++ 0.21886E-01 -1.6598 0.16872E-02 -2.7728 0.77089E-01 -1.1130 9 Mg++ 0.71679E-03 -3.1446 0.51624E-04 -4.2872 0.72020E-01 -1.1425 10 Fe++ 0.30469E-07 -7.5161 0.22317E-08 -8.6514 0.73245E-01 -1.1352 11 K+ 0.78797E-01 -1.1035 0.45172E-01 -1.3451 0.57328E+00 -0.2416 12 Na+ 0.45922E+00 -0.3380 0.25542E+00 -0.5928 0.55619E+00 -0.2548 13 Zn++ 0.36058E-08 -8.4430 0.26411E-09 -9.5782 0.73245E-01 -1.1352 14 Cu+ 0.18566E-11 -11.7313 0.10317E-11 -11.9864 0.55570E+00 -0.2552 15 Pb++ 0.69245E-09 -9.1596 0.55629E-10 -10.2547 0.80336E-01 -1.0951 16 HSiO3- 0.14648E-06 -6.8342 0.81454E-07 -7.0891 0.55609E+00 -0.2549 17 Ca(HSiO3)+ 0.20538E-07 -7.6874 0.11812E-07 -7.9277 0.57511E+00 -0.2403 18 Mg(HSiO3)+ 0.56475E-09 -9.2481 0.32479E-09 -9.4884 0.57511E+00 -0.2403 19 NaHSiO3,aq 0.16824E-06 -6.7741 0.16824E-06 -6.7741 0.10000E+01 0.0000 20 CH4,aq 0.19361E-03 -3.7131 0.17428E-03 -3.7588 0.90017E+00 -0.0457 21 C2H6,aq 0.11777E-09 -9.9290 0.10601E-09 -9.9746 0.90017E+00 -0.0457 22 C3H8,aq 0.66738E-15 -15.1756 0.60076E-15 -15.2213 0.90017E+00 -0.0457 24 ethanol,aq 0.32077E-14 -14.4938 0.28875E-14 -14.5395 0.90017E+00 -0.0457 25 CO,aq 0.20061E-07 -7.6976 0.20061E-07 -7.6976 0.10000E+01 0.0000 26 CO2,aq 0.13559E+00 -0.8678 0.12206E+00 -0.9134 0.90017E+00 -0.0457 27 CO3-2 0.27416E-08 -8.5620 0.22524E-09 -9.6474 0.82155E-01 -1.0854 28 CaCO3,aq 0.30620E-07 -7.5140 0.30620E-07 -7.5140 0.10000E+01 0.0000 29 Ca(HCO3)+ 0.90017E-04 -4.0457 0.51770E-04 -4.2859 0.57511E+00 -0.2403 30 CaCl+ 0.75165E-02 -2.1240 0.43228E-02 -2.3642 0.57511E+00 -0.2403 31 CaCl2,aq 0.35956E-03 -3.4442 0.35956E-03 -3.4442 0.10000E+01 0.0000 32 CaOH+ 0.13218E-06 -6.8788 0.76017E-07 -7.1191 0.57511E+00 -0.2403 33 CaSO4,aq 0.19451E-09 -9.7111 0.19451E-09 -9.7111 0.10000E+01 0.0000 34 HCl,aq 0.16847E-04 -4.7735 0.16847E-04 -4.7735 0.10000E+01 0.0000 38 Cu+2 0.15949E-16 -16.7973 0.12000E-17 -17.9208 0.75241E-01 -1.1235 39 CuCl+ 0.13016E-16 -16.8855 0.74858E-17 -17.1258 0.57511E+00 -0.2403 40 CuCl2,aq 0.78372E-18 -18.1058 0.78372E-18 -18.1058 0.10000E+01 0.0000 43 CuCl,aq 0.15750E-08 -8.8027 0.15750E-08 -8.8027 0.10000E+01 0.0000 44 CuCl2- 0.15080E-07 -7.8216 0.83861E-08 -8.0764 0.55609E+00 -0.2549 45 CuCl3-2 0.11591E-08 -8.9359 0.95228E-10 -10.0212 0.82155E-01 -1.0854 47 CuOH+ 0.12897E-18 -18.8895 0.74170E-19 -19.1298 0.57511E+00 -0.2403 50 Fe+3 0.35510E-19 -19.4496 0.12130E-21 -21.9161 0.34160E-02 -2.4665 51 FeCl+ 0.75811E-08 -8.1203 0.43599E-08 -8.3605 0.57511E+00 -0.2403 52 FeCl2,aq 0.20726E-10 -10.6835 0.20726E-10 -10.6835 0.10000E+01 0.0000 53 FeCl+2 0.14712E-18 -18.8323 0.11069E-19 -19.9559 0.75241E-01 -1.1235 54 FeO,aq 0.51936E-14 -14.2845 0.51936E-14 -14.2845 0.10000E+01 0.0000 55 FeOH+ 0.27074E-10 -10.5674 0.15571E-10 -10.8077 0.57511E+00 -0.2403 56 HFeO2- 0.40050E-17 -17.3974 0.22271E-17 -17.6523 0.55609E+00 -0.2549 57 FeO+ 0.92267E-15 -15.0350 0.53063E-15 -15.2752 0.57511E+00 -0.2403 58 FeOH+2 0.28063E-16 -16.5519 0.21115E-17 -17.6754 0.75241E-01 -1.1235 59 FeO2- 0.19397E-17 -17.7123 0.10786E-17 -17.9671 0.55609E+00 -0.2549 60 HFeO2,aq 0.90829E-15 -15.0418 0.90829E-15 -15.0418 0.10000E+01 0.0000 61 H2,aq 0.39061E-05 -5.4083 0.35161E-05 -5.4539 0.90017E+00 -0.0457 62 KCl,aq 0.11777E-02 -2.9290 0.11777E-02 -2.9290 0.10000E+01 0.0000 63 KHSO4,aq 0.10887E-12 -12.9631 0.10887E-12 -12.9631 0.10000E+01 0.0000 64 KOH,aq 0.34548E-08 -8.4616 0.34548E-08 -8.4616 0.10000E+01 0.0000 65 KSO4- 0.41354E-09 -9.3835 0.22997E-09 -9.6383 0.55609E+00 -0.2549 66 MgCO3,aq 0.13790E-09 -9.8604 0.13790E-09 -9.8604 0.10000E+01 0.0000 67 Mg(HCO3)+ 0.26931E-05 -5.5697 0.15488E-05 -5.8100 0.57511E+00 -0.2403 68 MgCl+ 0.14546E-03 -3.8373 0.83655E-04 -4.0775 0.57511E+00 -0.2403 69 MgOH+ 0.14743E-07 -7.8314 0.84785E-08 -8.0717 0.57511E+00 -0.2403 70 NaCl,aq 0.61214E-01 -1.2131 0.61214E-01 -1.2131 0.10000E+01 0.0000 71 NaOH,aq 0.14764E-07 -7.8308 0.14764E-07 -7.8308 0.10000E+01 0.0000 73 OH- 0.11410E-06 -6.9427 0.61042E-07 -7.2144 0.53500E+00 -0.2716 76 PbCl+ 0.66631E-08 -8.1763 0.38320E-08 -8.4166 0.57511E+00 -0.2403 77 PbCl2,aq 0.15751E-07 -7.8027 0.15751E-07 -7.8027 0.10000E+01 0.0000 78 PbCl3- 0.61854E-08 -8.2086 0.34396E-08 -8.4635 0.55609E+00 -0.2549 79 PbCl4-2 0.29744E-08 -8.5266 0.24436E-09 -9.6120 0.82155E-01 -1.0854 80 PbO,aq 0.10365E-13 -13.9844 0.10365E-13 -13.9844 0.10000E+01 0.0000 81 HPbO2- 0.70981E-19 -19.1489 0.39472E-19 -19.4037 0.55609E+00 -0.2549 82 Pb(HS)2,aq 0.38478E-06 -6.4148 0.38478E-06 -6.4148 0.10000E+01 0.0000 83 Pb(HS)3- 0.73940E-09 -9.1311 0.41117E-09 -9.3860 0.55609E+00 -0.2549 84 H2S,aq 0.25685E-01 -1.5903 0.23121E-01 -1.6360 0.90017E+00 -0.0457 85 S2-2 0.20077E-10 -10.6973 0.16494E-11 -11.7827 0.82155E-01 -1.0854 86 S3-2 0.10712E-11 -11.9701 0.88005E-13 -13.0555 0.82155E-01 -1.0854 87 S3- 0.18825E-09 -9.7253 0.10468E-09 -9.9801 0.55609E+00 -0.2549 88 S4-2 0.40322E-13 -13.3945 0.33126E-14 -14.4798 0.82155E-01 -1.0854 89 S5-2 0.10834E-14 -14.9652 0.89010E-16 -16.0506 0.82155E-01 -1.0854 90 SO2,aq 0.32622E-12 -12.4865 0.32622E-12 -12.4865 0.10000E+01 0.0000 91 SO3-2 0.27039E-15 -15.5680 0.26448E-16 -16.5776 0.97812E-01 -1.0096 92 HSO3- 0.12558E-11 -11.9011 0.69833E-12 -12.1559 0.55609E+00 -0.2549 93 HSO4- 0.18009E-09 -9.7445 0.10485E-09 -9.9794 0.58221E+00 -0.2349 95 S2O3-2 0.43477E-12 -12.3617 0.35718E-13 -13.4471 0.82155E-01 -1.0854 96 HS2O3- 0.66237E-14 -14.1789 0.36834E-14 -14.4338 0.55609E+00 -0.2549 97 H2S2O3,aq 0.19275E-16 -16.7150 0.19275E-16 -16.7150 0.10000E+01 0.0000 107 ZnCl+ 0.48097E-06 -6.3179 0.27661E-06 -6.5581 0.57511E+00 -0.2403 108 ZnCl2,aq 0.68383E-07 -7.1651 0.68383E-07 -7.1651 0.10000E+01 0.0000 109 ZnCl3- 0.48298E-08 -8.3161 0.26858E-08 -8.5709 0.55609E+00 -0.2549 110 ZnO,aq 0.84314E-13 -13.0741 0.84314E-13 -13.0741 0.10000E+01 0.0000 111 ZnOH+ 0.16933E-08 -8.7713 0.97385E-09 -9.0115 0.57511E+00 -0.2403 113 HZnO2- 0.35411E-17 -17.4509 0.19692E-17 -17.7057 0.55609E+00 -0.2549 Charge balance for all species = 0.1436E-04 Component Molality Aq.molality ppm log[A(N)/A(H+)**Z] (total) 1 H+ 0.1783922E-03 0.1614719E+00 0.1554494E+03 -0.0000 2 H2O 0.1000000E+01 0.5537285E+02 0.9527874E+06 0.0000 3 Cl- 0.5905504E+00 0.6613411E+00 0.2239423E+05 3.5208 4 SO4-- 0.1278494E-08 -.1945874E-03 -.1785345E+02 -1.9578 5 HCO3- 0.4719550E-03 0.1363514E+00 0.7946380E+04 0.4341 6 HS- 0.1227208E-03 0.2600329E-01 0.8213841E+03 -0.1604 7 H4SiO4 0.3654376E-02 0.3654711E-02 0.3355086E+03 -2.4372 8 Ca++ 0.2188597E-01 0.2985222E-01 0.1142721E+04 5.2359 9 Mg++ 0.7167946E-03 0.8649636E-03 0.2008520E+02 3.7216 10 Fe++ 0.3046890E-07 0.3809778E-07 0.2032157E-02 -0.6426 11 K+ 0.7879654E-01 0.7997425E-01 0.2986804E+04 2.6592 12 Na+ 0.4592239E+00 0.5204384E+00 0.1142779E+05 3.4116 13 Zn++ 0.3605798E-08 0.5594794E-06 0.3493174E-01 -1.5695 14 Cu+ 0.1856574E-11 0.1781639E-07 0.1081246E-02 -7.9821 15 Pb++ 0.6924537E-09 0.4177830E-06 0.8267555E-01 -2.2460 Component Tot moles Aq. moles Solid moles Gas moles 1 H+ 0.1632321E+00 0.1619473E+00 0.1284815E-02 0.0000000E+00 2 H2O 0.5550825E+02 0.5553590E+02 -.2764534E-01 0.0000000E+00 3 Cl- 0.6632884E+00 0.6632884E+00 0.0000000E+00 0.0000000E+00 4 SO4-- -.1473305E-02 -.1951604E-03 -.1278145E-02 0.0000000E+00 5 HCO3- 0.1393221E+00 0.1367528E+00 0.2569269E-02 0.0000000E+00 6 HS- 0.2741622E-01 0.2607985E-01 0.1336372E-02 0.0000000E+00 7 H4SiO4 0.1619053E-01 0.3665472E-02 0.1252506E-01 0.0000000E+00 8 Ca++ 0.2994012E-01 0.2994012E-01 0.0000000E+00 0.0000000E+00 9 Mg++ 0.8675104E-03 0.8675104E-03 0.0000000E+00 0.0000000E+00 10 Fe++ 0.2604518E-04 0.3820996E-07 0.2600697E-04 0.0000000E+00 11 K+ 0.8020973E-01 0.8020973E-01 0.0000000E+00 0.0000000E+00 12 Na+ 0.5219708E+00 0.5219708E+00 0.0000000E+00 0.0000000E+00 13 Zn++ 0.5000000E-05 0.5611268E-06 0.4438873E-05 0.0000000E+00 14 Cu+ 0.5000000E-06 0.1786884E-07 0.4821312E-06 0.0000000E+00 15 Pb++ 0.2000000E-05 0.4190131E-06 0.1580987E-05 0.0000000E+00 Chg. balance for solid moles: 0.9741E-20 Mass of aqueous solution: 0.105007E+04 g Temperature = 180.00 C Pressure = 500.00 bar Mixer frac. = 0.0000000 Log Log Vol Gas or mineral Moles Moles Grams Grams Wt.% (cm3) graphite 0.2569E-02 -2.590 0.3086E-01 -1.511 3.919 0.1362E-01 pyrite 0.2591E-04 -4.587 0.3109E-02 -2.507 0.3948 0.6203E-03 quartz 0.1253E-01 -1.902 0.7525 -0.123 95.58 0.2842 bornite 0.9643E-07 -7.016 0.4839E-04 -4.315 0.6146E-02 0.9519E-05 galena 0.1581E-05 -5.801 0.3783E-03 -3.422 0.4804E-01 0.4978E-04 sphalerite 0.4439E-05 -5.353 0.4325E-03 -3.364 0.5493E-01 0.1058E-03 Partial press. Fugacity coef Log fugacity Gas or Mineral Mole fraction or activity Activity coef Log activity graphite 0.1000E+01 0.1000E+01 1.0000 0.000 pyrite 0.1000E+01 0.1000E+01 1.0000 0.000 quartz 0.1000E+01 0.1000E+01 1.0000 0.000 bornite 0.1000E+01 0.1000E+01 1.0000 0.000 galena 0.1000E+01 0.1000E+01 1.0000 0.000 sphalerite 0.1000E+01 0.1000E+01 1.0000 0.000 Solid products produced: Mass = 0.787330 g Volume = 0.298581 cm3 WARNING: mineral volume may be in error because some mineral densities were not supplied in SOLTHERM. See mineral list in file Skip_Species.txt. Gas composition at saturation ( 3 iterations) ------------------------------------------------- Temperature: 180.0000 deg.C Sat. pressure: 46.9449 bar Gas Mole fraction phi Fugacity Partial P(bar) H2O,gas 0.3191E+00 0.7801 0.1169E+02 0.1498E+02 CO2,gas 0.6440E+00 0.9521 0.2878E+02 0.3023E+02 CH4,gas 0.6110E-02 1.0790 0.3095E+00 0.2868E+00 H2,gas 0.8190E-04 1.0208 0.3925E-02 0.3845E-02 H2S,gas 0.3072E-01 0.9023 0.1301E+01 0.1442E+01 S2,gas 0.1523E-11 1.0000 0.7150E-10 0.7150E-10 CO,gas 0.5556E-06 1.0000 0.2608E-04 0.2608E-04 SO3,gas 0.2835E-28 1.0000 0.1331E-26 0.1331E-26 O2,gas 0.1823E-45 1.0000 0.8559E-44 0.8559E-44 SO2,gas 0.1042E-12 1.0000 0.4891E-11 0.4891E-11 NON-Ideal mixing with H2O, CO2, CH4 Gases ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ The following gases and minerals are presently in matrix or were just added Gas or Mineral Log K Log Q Log(Q/K) Log(Q/K)/S Affinity Log Fugacity 46 graphite -2.66 -2.66 0.00 0.000 -0.92084E-12 70 pyrite -19.42 -19.42 0.00 0.000 0.00000E+00 73 quartz -2.42 -2.42 0.00 0.000 0.00000E+00 98 bornite -74.45 -74.45 0.00 0.000 0.00000E+00 118 galena -10.42 -10.42 -0.00 -0.000 0.36833E-11 128 sphalerite -9.74 -9.74 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 1.62 -0.01 -1.63 -1.631 0.33825E+04 1.068 2 CO2,gas -6.33 -7.57 -1.24 -0.413 0.25709E+04 1.459 3 CH4,gas 5.43 2.22 -3.21 -0.802 0.66525E+04 -0.509 4 H2,gas 7.55 2.44 -5.11 -2.917 0.10586E+05 -2.406 5 H2S,gas -5.58 -8.17 -2.58 -1.292 0.53594E+04 0.114 6 S2,gas -8.38 -21.22 -12.84 -1.976 0.26634E+05 -10.146 7 CO,gas 2.17 -5.11 -7.28 -2.241 0.15101E+05 -4.584 8 SO3,gas 11.61 -17.97 -29.57 -7.394 0.61325E+05 -26.876 9 O2,gas 41.86 -4.90 -46.77 -31.178 0.96972E+05 -44.068 10 SO2,gas -1.50 -15.51 -14.01 -3.736 0.29049E+05 -11.311 11 HCl,gas 1.19 -4.49 -5.68 -2.840 0.11776E+05 -5.679 21 aragonite 0.08 -2.34 -2.42 -0.808 0.50251E+04 23 calcite -0.05 -2.34 -2.28 -0.761 0.47366E+04 28 coesite -1.91 -2.42 -0.51 -0.170 0.10557E+04 30 cristobalite -2.10 -2.42 -0.32 -0.107 0.66320E+03 34 diamond -2.27 -2.66 -0.39 -0.112 0.81515E+03 37 dolomite,ordered -1.41 -6.19 -4.78 -0.796 0.99073E+04 49 halite 1.43 -1.08 -2.50 -1.252 0.51939E+04 56 magnesite -0.59 -3.85 -3.26 -1.088 0.67695E+04 71 pyrrhotite -4.82 -8.81 -3.99 -1.331 0.82821E+04 72 pyrrhotiteFe0.875 -6.21 -9.03 -2.83 -1.040 0.58637E+04 78 siderite -3.32 -8.22 -4.90 -1.634 0.10163E+05 80 stishovite 2.40 -2.42 -4.81 -1.605 0.99822E+04 81 sulfur -8.53 -10.61 -2.08 -0.641 0.43208E+04 82 sylvite 1.43 -1.83 -3.26 -1.628 0.67524E+04 88 tridymite -2.13 -2.42 -0.29 -0.096 0.59511E+03 91 troilite-low -4.89 -8.81 -3.92 -1.307 0.81308E+04 100 chalcedony -2.26 -2.42 -0.15 -0.051 0.31974E+03 101 chalcocite -22.82 -24.13 -1.32 -0.329 0.27277E+04 102 covellite -16.71 -17.37 -0.66 -0.253 0.13760E+04 114 chalcopyrite -25.15 -26.18 -1.04 -0.193 0.21544E+04 115 copper,native -1.77 -6.76 -4.99 -1.735 0.10343E+05 125 silica-amorphous -1.72 -2.42 -0.70 -0.232 0.14458E+04 129 wurtzite -8.23 -9.74 -1.51 -0.502 0.31247E+04 Calculations done for 180.0000 Deg. C; 500.0000 bar Temperature changed by -5.000 degrees to 175.000 degrees C. Solids and gases carried ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ Test file for CHIM-XPT. Japanese Geothermal Water. Cooling only. See running notes, below. CHIMRUN demo-1 ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ Number of loops used = 9 Loop limit = 470 Temperature = 175.00 C Pressure = 500.00 bar Mixer fraction = 0.0000000 Water: Moles liquid = 0.5567E+02 kg liquid = 0.1003E+01 Moles total = 0.5551E+02 kg total = 0.1000E+01 Activity = 0.9789 Stoichiometric ionic strength = .7750098E+00 Osmotic coef. = 0.8946 True ionic strength = .6168056E+00 Chg. balance for total moles = 0.1440E-04 Max. difference allowed = 0.6633E-04 Log Log Log Species(n) Molality Molality Activity Activity Gamma Gamma 1 H+ 0.18794E-03 -3.7260 0.10535E-03 -3.9773 0.56058E+00 -0.2514 2 H2O 0.97893E+00 -0.0092 0.97893E+00 -0.0092 3 Cl- 0.59317E+00 -0.2268 0.33302E+00 -0.4775 0.56143E+00 -0.2507 4 SO4-- 0.17151E-08 -8.7657 0.15009E-09 -9.8237 0.87511E-01 -1.0579 5 HCO3- 0.48635E-03 -3.3131 0.27952E-03 -3.5536 0.57474E+00 -0.2405 6 HS- 0.12022E-03 -3.9200 0.67664E-04 -4.1696 0.56284E+00 -0.2496 7 H4SiO4 0.34316E-02 -2.4645 0.34316E-02 -2.4645 0.10000E+01 0.0000 8 Ca++ 0.22298E-01 -1.6517 0.17850E-02 -2.7484 0.80051E-01 -1.0966 9 Mg++ 0.72256E-03 -3.1411 0.54201E-04 -4.2660 0.75012E-01 -1.1249 10 Fe++ 0.23483E-07 -7.6292 0.17901E-08 -8.7471 0.76228E-01 -1.1179 11 K+ 0.78884E-01 -1.1030 0.45578E-01 -1.3412 0.57778E+00 -0.2382 12 Na+ 0.46132E+00 -0.3360 0.25895E+00 -0.5868 0.56133E+00 -0.2508 13 Zn++ 0.36239E-08 -8.4408 0.27624E-09 -9.5587 0.76228E-01 -1.1179 14 Cu+ 0.14573E-11 -11.8365 0.81731E-12 -12.0876 0.56086E+00 -0.2511 15 Pb++ 0.61338E-09 -9.2123 0.51085E-10 -10.2917 0.83285E-01 -1.0794 16 HSiO3- 0.12847E-06 -6.8912 0.72127E-07 -7.1419 0.56143E+00 -0.2507 17 Ca(HSiO3)+ 0.17244E-07 -7.7634 0.99939E-08 -8.0003 0.57955E+00 -0.2369 18 Mg(HSiO3)+ 0.47976E-09 -9.3190 0.27804E-09 -9.5559 0.57955E+00 -0.2369 19 NaHSiO3,aq 0.15322E-06 -6.8147 0.15322E-06 -6.8147 0.10000E+01 0.0000 20 CH4,aq 0.14187E-03 -3.8481 0.12770E-03 -3.8938 0.90010E+00 -0.0457 21 C2H6,aq 0.68153E-10 -10.1665 0.61345E-10 -10.2122 0.90010E+00 -0.0457 22 C3H8,aq 0.31995E-15 -15.4949 0.28798E-15 -15.5406 0.90010E+00 -0.0457 24 ethanol,aq 0.18563E-14 -14.7314 0.16708E-14 -14.7771 0.90010E+00 -0.0457 25 CO,aq 0.14729E-07 -7.8318 0.14729E-07 -7.8318 0.10000E+01 0.0000 26 CO2,aq 0.13553E+00 -0.8680 0.12199E+00 -0.9137 0.90010E+00 -0.0457 27 CO3-2 0.27315E-08 -8.5636 0.23268E-09 -9.6332 0.85186E-01 -1.0696 28 CaCO3,aq 0.29134E-07 -7.5356 0.29134E-07 -7.5356 0.10000E+01 0.0000 29 Ca(HCO3)+ 0.87693E-04 -4.0570 0.50822E-04 -4.2939 0.57955E+00 -0.2369 30 CaCl+ 0.71289E-02 -2.1470 0.41315E-02 -2.3839 0.57955E+00 -0.2369 31 CaCl2,aq 0.33697E-03 -3.4724 0.33697E-03 -3.4724 0.10000E+01 0.0000 32 CaOH+ 0.10463E-06 -6.9804 0.60636E-07 -7.2173 0.57955E+00 -0.2369 33 CaSO4,aq 0.25881E-09 -9.5870 0.25881E-09 -9.5870 0.10000E+01 0.0000 34 HCl,aq 0.16909E-04 -4.7719 0.16909E-04 -4.7719 0.10000E+01 0.0000 38 Cu+2 0.15257E-16 -16.8165 0.11933E-17 -17.9233 0.78212E-01 -1.1067 39 CuCl+ 0.11780E-16 -16.9289 0.68269E-17 -17.1658 0.57955E+00 -0.2369 40 CuCl2,aq 0.66634E-18 -18.1763 0.66634E-18 -18.1763 0.10000E+01 0.0000 43 CuCl,aq 0.12614E-08 -8.8991 0.12614E-08 -8.8991 0.10000E+01 0.0000 44 CuCl2- 0.12107E-07 -7.9170 0.67973E-08 -8.1677 0.56143E+00 -0.2507 45 CuCl3-2 0.94286E-09 -9.0256 0.80318E-10 -10.0952 0.85186E-01 -1.0696 47 CuOH+ 0.10514E-18 -18.9782 0.60932E-19 -19.2152 0.57955E+00 -0.2369 50 Fe+3 0.28354E-19 -19.5474 0.10525E-21 -21.9778 0.37121E-02 -2.4304 51 FeCl+ 0.55241E-08 -8.2577 0.32015E-08 -8.4947 0.57955E+00 -0.2369 52 FeCl2,aq 0.10885E-10 -10.9632 0.10885E-10 -10.9632 0.10000E+01 0.0000 53 FeCl+2 0.11309E-18 -18.9466 0.88452E-20 -20.0533 0.78212E-01 -1.1067 54 FeO,aq 0.26566E-14 -14.5757 0.26566E-14 -14.5757 0.10000E+01 0.0000 55 FeOH+ 0.17373E-10 -10.7601 0.10069E-10 -10.9970 0.57955E+00 -0.2369 56 HFeO2- 0.18119E-17 -17.7419 0.10172E-17 -17.9926 0.56143E+00 -0.2507 57 FeO+ 0.58964E-15 -15.2294 0.34173E-15 -15.4663 0.57955E+00 -0.2369 58 FeOH+2 0.19636E-16 -16.7069 0.15358E-17 -17.8137 0.78212E-01 -1.1067 59 FeO2- 0.85670E-18 -18.0672 0.48098E-18 -18.3179 0.56143E+00 -0.2507 60 HFeO2,aq 0.49292E-15 -15.3072 0.49292E-15 -15.3072 0.10000E+01 0.0000 61 H2,aq 0.29127E-05 -5.5357 0.26218E-05 -5.5814 0.90010E+00 -0.0457 62 KCl,aq 0.10895E-02 -2.9628 0.10895E-02 -2.9628 0.10000E+01 0.0000 63 KHSO4,aq 0.12043E-12 -12.9193 0.12043E-12 -12.9193 0.10000E+01 0.0000 64 KOH,aq 0.28830E-08 -8.5401 0.28830E-08 -8.5401 0.10000E+01 0.0000 65 KSO4- 0.52942E-09 -9.2762 0.29723E-09 -9.5269 0.56143E+00 -0.2507 66 MgCO3,aq 0.13390E-09 -9.8732 0.13390E-09 -9.8732 0.10000E+01 0.0000 67 Mg(HCO3)+ 0.26142E-05 -5.5827 0.15151E-05 -5.8196 0.57955E+00 -0.2369 68 MgCl+ 0.13976E-03 -3.8546 0.81000E-04 -4.0915 0.57955E+00 -0.2369 69 MgOH+ 0.11777E-07 -7.9290 0.68251E-08 -8.1659 0.57955E+00 -0.2369 70 NaCl,aq 0.59114E-01 -1.2283 0.59114E-01 -1.2283 0.10000E+01 0.0000 71 NaOH,aq 0.12569E-07 -7.9007 0.12569E-07 -7.9007 0.10000E+01 0.0000 73 OH- 0.97395E-07 -7.0115 0.52735E-07 -7.2779 0.54145E+00 -0.2664 76 PbCl+ 0.56064E-08 -8.2513 0.32491E-08 -8.4882 0.57955E+00 -0.2369 77 PbCl2,aq 0.12772E-07 -7.8938 0.12772E-07 -7.8938 0.10000E+01 0.0000 78 PbCl3- 0.49026E-08 -8.3096 0.27525E-08 -8.5603 0.56143E+00 -0.2507 79 PbCl4-2 0.23487E-08 -8.6292 0.20008E-09 -9.6988 0.85186E-01 -1.0696 80 PbO,aq 0.67103E-14 -14.1733 0.67103E-14 -14.1733 0.10000E+01 0.0000 81 HPbO2- 0.41547E-19 -19.3815 0.23326E-19 -19.6322 0.56143E+00 -0.2507 82 Pb(HS)2,aq 0.35238E-06 -6.4530 0.35238E-06 -6.4530 0.10000E+01 0.0000 83 Pb(HS)3- 0.64280E-09 -9.1919 0.36089E-09 -9.4426 0.56143E+00 -0.2507 84 H2S,aq 0.25687E-01 -1.5903 0.23121E-01 -1.6360 0.90010E+00 -0.0457 85 S2-2 0.20172E-10 -10.6952 0.17184E-11 -11.7649 0.85186E-01 -1.0696 86 S3-2 0.13127E-11 -11.8818 0.11183E-12 -12.9515 0.85186E-01 -1.0696 87 S3- 0.22626E-09 -9.6454 0.12703E-09 -9.8961 0.56143E+00 -0.2507 88 S4-2 0.60062E-13 -13.2214 0.51164E-14 -14.2910 0.85186E-01 -1.0696 89 S5-2 0.19544E-14 -14.7090 0.16649E-15 -15.7786 0.85186E-01 -1.0696 90 SO2,aq 0.30461E-12 -12.5163 0.30461E-12 -12.5163 0.10000E+01 0.0000 91 SO3-2 0.29088E-15 -15.5363 0.29321E-16 -16.5328 0.10080E+00 -0.9965 92 HSO3- 0.12810E-11 -11.8925 0.71918E-12 -12.1432 0.56143E+00 -0.2507 93 HSO4- 0.22423E-09 -9.6493 0.13152E-09 -9.8810 0.58655E+00 -0.2317 95 S2O3-2 0.58376E-12 -12.2338 0.49728E-13 -13.3034 0.85186E-01 -1.0696 96 HS2O3- 0.86290E-14 -14.0640 0.48446E-14 -14.3147 0.56143E+00 -0.2507 97 H2S2O3,aq 0.24712E-16 -16.6071 0.24712E-16 -16.6071 0.10000E+01 0.0000 107 ZnCl+ 0.40708E-06 -6.3903 0.23592E-06 -6.6272 0.57955E+00 -0.2369 108 ZnCl2,aq 0.57049E-07 -7.2438 0.57049E-07 -7.2438 0.10000E+01 0.0000 109 ZnCl3- 0.40497E-08 -8.3926 0.22736E-08 -8.6433 0.56143E+00 -0.2507 110 ZnO,aq 0.57908E-13 -13.2373 0.57908E-13 -13.2373 0.10000E+01 0.0000 111 ZnOH+ 0.13314E-08 -8.8757 0.77160E-09 -9.1126 0.57955E+00 -0.2369 113 HZnO2- 0.21604E-17 -17.6655 0.12129E-17 -17.9162 0.56143E+00 -0.2507 Charge balance for all species = 0.1436E-04 Component Molality Aq.molality ppm log[A(N)/A(H+)**Z] (total) 1 H+ 0.1879392E-03 0.1614184E+00 0.1554017E+03 -0.0000 2 H2O 0.1000000E+01 0.5537287E+02 0.9528102E+06 0.0000 3 Cl- 0.5931707E+00 0.6613347E+00 0.2239454E+05 3.4998 4 SO4-- 0.1715069E-08 -.1425997E-03 -.1308387E+02 -1.8690 5 HCO3- 0.4863466E-03 0.1362461E+00 0.7940431E+04 0.4238 6 HS- 0.1202196E-03 0.2595090E-01 0.8197488E+03 -0.1923 7 H4SiO4 0.3431650E-02 0.3431949E-02 0.3150661E+03 -2.4645 8 Ca++ 0.2229823E-01 0.2985193E-01 0.1142737E+04 5.2063 9 Mg++ 0.7225642E-03 0.8649552E-03 0.2008548E+02 3.6887 10 Fe++ 0.2348329E-07 0.2903565E-07 0.1548814E-02 -0.7924 11 K+ 0.7888398E-01 0.7997348E-01 0.2986846E+04 2.6361 12 Na+ 0.4613188E+00 0.5204334E+00 0.1142795E+05 3.3906 13 Zn++ 0.3623918E-08 0.4731349E-06 0.2954142E-01 -1.6040 14 Cu+ 0.1457262E-11 0.1431295E-07 0.8686491E-03 -8.1103 15 Pb++ 0.6133779E-09 0.3792655E-06 0.7505506E-01 -2.3370 Component Tot moles Aq. moles Solid moles Gas moles 1 H+ 0.1632321E+00 0.1618953E+00 0.1336832E-02 0.0000000E+00 2 H2O 0.5550825E+02 0.5553645E+02 -.2819640E-01 0.0000000E+00 3 Cl- 0.6632884E+00 0.6632884E+00 0.0000000E+00 0.0000000E+00 4 SO4-- -.1473305E-02 -.1430209E-03 -.1330284E-02 0.0000000E+00 5 HCO3- 0.1393221E+00 0.1366485E+00 0.2673552E-02 0.0000000E+00 6 HS- 0.2741622E-01 0.2602757E-01 0.1388656E-02 0.0000000E+00 7 H4SiO4 0.1619053E-01 0.3442088E-02 0.1274844E-01 0.0000000E+00 8 Ca++ 0.2994012E-01 0.2994012E-01 0.0000000E+00 0.0000000E+00 9 Mg++ 0.8675104E-03 0.8675104E-03 0.0000000E+00 0.0000000E+00 10 Fe++ 0.2604518E-04 0.2912143E-07 0.2601606E-04 0.0000000E+00 11 K+ 0.8020973E-01 0.8020973E-01 0.0000000E+00 0.0000000E+00 12 Na+ 0.5219708E+00 0.5219708E+00 0.0000000E+00 0.0000000E+00 13 Zn++ 0.5000000E-05 0.4745326E-06 0.4525467E-05 0.0000000E+00 14 Cu+ 0.5000000E-06 0.1435524E-07 0.4856448E-06 0.0000000E+00 15 Pb++ 0.2000000E-05 0.3803859E-06 0.1619614E-05 0.0000000E+00 Chg. balance for solid moles: -.1410E-18 Mass of aqueous solution: 0.105006E+04 g Temperature = 175.00 C Pressure = 500.00 bar Mixer frac. = 0.0000000 Log Log Vol Gas or mineral Moles Moles Grams Grams Wt.% (cm3) graphite 0.2674E-02 -2.573 0.3211E-01 -1.493 4.004 0.1417E-01 pyrite 0.2592E-04 -4.586 0.3110E-02 -2.507 0.3877 0.6205E-03 quartz 0.1275E-01 -1.895 0.7659 -0.116 95.50 0.2892 bornite 0.9713E-07 -7.013 0.4874E-04 -4.312 0.6077E-02 0.9589E-05 galena 0.1620E-05 -5.791 0.3875E-03 -3.412 0.4831E-01 0.5100E-04 sphalerite 0.4525E-05 -5.344 0.4409E-03 -3.356 0.5498E-01 0.1078E-03 Partial press. Fugacity coef Log fugacity Gas or Mineral Mole fraction or activity Activity coef Log activity graphite 0.1000E+01 0.1000E+01 1.0000 0.000 pyrite 0.1000E+01 0.1000E+01 1.0000 0.000 quartz 0.1000E+01 0.1000E+01 1.0000 0.000 bornite 0.1000E+01 0.1000E+01 1.0000 0.000 galena 0.1000E+01 0.1000E+01 1.0000 0.000 sphalerite 0.1000E+01 0.1000E+01 1.0000 0.000 Solid products produced: Mass = 0.802023 g Volume = 0.304206 cm3 WARNING: mineral volume may be in error because some mineral densities were not supplied in SOLTHERM. See mineral list in file Skip_Species.txt. Gas composition at saturation ( 3 iterations) ------------------------------------------------- Temperature: 175.0000 deg.C Sat. pressure: 45.5421 bar Gas Mole fraction phi Fugacity Partial P(bar) H2O,gas 0.2928E+00 0.7848 0.1047E+02 0.1334E+02 CO2,gas 0.6705E+00 0.9496 0.2899E+02 0.3053E+02 CH4,gas 0.4855E-02 1.0729 0.2372E+00 0.2211E+00 H2,gas 0.6567E-04 1.0204 0.3052E-02 0.2991E-02 H2S,gas 0.3180E-01 0.9020 0.1306E+01 0.1448E+01 S2,gas 0.1568E-11 1.0000 0.7142E-10 0.7142E-10 CO,gas 0.4444E-06 1.0000 0.2024E-04 0.2024E-04 SO3,gas 0.2007E-28 1.0000 0.9139E-27 0.9139E-27 O2,gas 0.5874E-46 1.0000 0.2675E-44 0.2675E-44 SO2,gas 0.9825E-13 1.0000 0.4474E-11 0.4474E-11 NON-Ideal mixing with H2O, CO2, CH4 Gases ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ The following gases and minerals are presently in matrix or were just added Gas or Mineral Log K Log Q Log(Q/K) Log(Q/K)/S Affinity Log Fugacity 46 graphite -2.71 -2.71 0.00 0.000 -0.36427E-11 70 pyrite -19.48 -19.48 0.00 0.000 0.00000E+00 73 quartz -2.45 -2.45 0.00 0.000 0.00000E+00 98 bornite -75.13 -75.13 0.00 0.000 -0.29142E-10 118 galena -10.48 -10.48 -0.00 -0.000 0.36427E-11 128 sphalerite -9.75 -9.75 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 1.67 -0.01 -1.68 -1.679 0.34435E+04 1.020 2 CO2,gas -6.29 -7.52 -1.24 -0.412 0.25360E+04 1.462 3 CH4,gas 5.41 2.09 -3.32 -0.831 0.68160E+04 -0.625 4 H2,gas 7.61 2.40 -5.21 -2.980 0.10693E+05 -2.515 5 H2S,gas -5.56 -8.15 -2.58 -1.291 0.52968E+04 0.116 6 S2,gas -8.25 -21.09 -12.85 -1.976 0.26341E+05 -10.146 7 CO,gas 2.28 -5.11 -7.39 -2.275 0.15160E+05 -4.694 8 SO3,gas 11.97 -17.77 -29.74 -7.435 0.60983E+05 -27.039 9 O2,gas 42.46 -4.82 -47.27 -31.514 0.96938E+05 -44.573 10 SO2,gas -1.31 -15.36 -14.05 -3.746 0.28808E+05 -11.349 11 HCl,gas 1.31 -4.45 -5.77 -2.884 0.11830E+05 -5.769 21 aragonite 0.15 -2.32 -2.47 -0.825 0.50725E+04 23 calcite 0.01 -2.32 -2.33 -0.778 0.47875E+04 28 coesite -1.93 -2.45 -0.51 -0.171 0.10540E+04 30 cristobalite -2.12 -2.45 -0.33 -0.109 0.67057E+03 34 diamond -2.31 -2.71 -0.39 -0.113 0.81001E+03 37 dolomite,ordered -1.28 -6.17 -4.89 -0.815 0.10029E+05 49 halite 1.45 -1.06 -2.51 -1.255 0.51478E+04 56 magnesite -0.51 -3.84 -3.34 -1.112 0.68435E+04 71 pyrrhotite -4.77 -8.94 -4.17 -1.390 0.85501E+04 72 pyrrhotiteFe0.875 -6.18 -9.14 -2.96 -1.089 0.60695E+04 80 stishovite 2.41 -2.45 -4.86 -1.619 0.99621E+04 81 sulfur -8.54 -10.55 -2.00 -0.616 0.41087E+04 82 sylvite 1.44 -1.82 -3.25 -1.627 0.66724E+04 88 tridymite -2.15 -2.45 -0.29 -0.098 0.60084E+03 91 troilite-low -4.85 -8.94 -4.09 -1.364 0.83922E+04 100 chalcedony -2.29 -2.45 -0.16 -0.052 0.31990E+03 101 chalcocite -23.07 -24.37 -1.30 -0.325 0.26669E+04 102 covellite -16.86 -17.46 -0.60 -0.227 0.12213E+04 114 chalcopyrite -25.29 -26.40 -1.11 -0.206 0.22680E+04 125 silica-amorphous -1.74 -2.45 -0.71 -0.237 0.14560E+04 129 wurtzite -8.23 -9.75 -1.52 -0.508 0.31252E+04 Calculations done for 175.0000 Deg. C; 500.0000 bar Temperature changed by -5.000 degrees to 170.000 degrees C. Solids and gases carried ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ Test file for CHIM-XPT. Japanese Geothermal Water. Cooling only. See running notes, below. CHIMRUN demo-1 ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ Number of loops used = 9 Loop limit = 470 Temperature = 170.00 C Pressure = 500.00 bar Mixer fraction = 0.0000000 Water: Moles liquid = 0.5567E+02 kg liquid = 0.1003E+01 Moles total = 0.5551E+02 kg total = 0.1000E+01 Activity = 0.9789 Stoichiometric ionic strength = .7750218E+00 Osmotic coef. = 0.8978 True ionic strength = .6196559E+00 Chg. balance for total moles = 0.1440E-04 Max. difference allowed = 0.6633E-04 Log Log Log Species(n) Molality Molality Activity Activity Gamma Gamma 1 H+ 0.19775E-03 -3.7039 0.11198E-03 -3.9509 0.56626E+00 -0.2470 2 H2O 0.97885E+00 -0.0093 0.97885E+00 -0.0093 3 Cl- 0.59561E+00 -0.2250 0.33768E+00 -0.4715 0.56694E+00 -0.2465 4 SO4-- 0.23038E-08 -8.6376 0.20886E-09 -9.6801 0.90659E-01 -1.0426 5 HCO3- 0.50107E-03 -3.3001 0.29045E-03 -3.5369 0.57966E+00 -0.2368 6 HS- 0.11760E-03 -3.9296 0.66831E-04 -4.1750 0.56828E+00 -0.2454 7 H4SiO4 0.32216E-02 -2.4919 0.32216E-02 -2.4919 0.10000E+01 0.0000 8 Ca++ 0.22687E-01 -1.6442 0.18864E-02 -2.7244 0.83148E-01 -1.0802 9 Mg++ 0.72799E-03 -3.1379 0.56896E-04 -4.2449 0.78155E-01 -1.1070 10 Fe++ 0.17984E-07 -7.7451 0.14272E-08 -8.8455 0.79358E-01 -1.1004 11 K+ 0.78964E-01 -1.1026 0.45991E-01 -1.3373 0.58242E+00 -0.2348 12 Na+ 0.46327E+00 -0.3342 0.26250E+00 -0.5809 0.56663E+00 -0.2467 13 Zn++ 0.36265E-08 -8.4405 0.28779E-09 -9.5409 0.79358E-01 -1.1004 14 Cu+ 0.11377E-11 -11.9440 0.64417E-12 -12.1910 0.56618E+00 -0.2470 15 Pb++ 0.54024E-09 -9.2674 0.46657E-10 -10.3311 0.86362E-01 -1.0637 16 HSiO3- 0.11244E-06 -6.9491 0.63748E-07 -7.1955 0.56694E+00 -0.2465 17 Ca(HSiO3)+ 0.14458E-07 -7.8399 0.84454E-08 -8.0734 0.58412E+00 -0.2335 18 Mg(HSiO3)+ 0.40720E-09 -9.3902 0.23785E-09 -9.6237 0.58412E+00 -0.2335 19 NaHSiO3,aq 0.13960E-06 -6.8551 0.13960E-06 -6.8551 0.10000E+01 0.0000 20 CH4,aq 0.10370E-03 -3.9842 0.93340E-04 -4.0299 0.90013E+00 -0.0457 21 C2H6,aq 0.39265E-10 -10.4060 0.35343E-10 -10.4517 0.90013E+00 -0.0457 22 C3H8,aq 0.15232E-15 -15.8172 0.13711E-15 -15.8629 0.90013E+00 -0.0457 24 ethanol,aq 0.10678E-14 -14.9715 0.96114E-15 -15.0172 0.90013E+00 -0.0457 25 CO,aq 0.10787E-07 -7.9671 0.10787E-07 -7.9671 0.10000E+01 0.0000 26 CO2,aq 0.13548E+00 -0.8681 0.12195E+00 -0.9138 0.90013E+00 -0.0457 27 CO3-2 0.27178E-08 -8.5658 0.24012E-09 -9.6196 0.88350E-01 -1.0538 28 CaCO3,aq 0.27742E-07 -7.5569 0.27742E-07 -7.5569 0.10000E+01 0.0000 29 Ca(HCO3)+ 0.85443E-04 -4.0683 0.49910E-04 -4.3018 0.58412E+00 -0.2335 30 CaCl+ 0.67625E-02 -2.1699 0.39502E-02 -2.4034 0.58412E+00 -0.2335 31 CaCl2,aq 0.31643E-03 -3.4997 0.31643E-03 -3.4997 0.10000E+01 0.0000 32 CaOH+ 0.82565E-07 -7.0832 0.48228E-07 -7.3167 0.58412E+00 -0.2335 33 CaSO4,aq 0.34547E-09 -9.4616 0.34547E-09 -9.4616 0.10000E+01 0.0000 34 HCl,aq 0.16988E-04 -4.7698 0.16988E-04 -4.7698 0.10000E+01 0.0000 38 Cu+2 0.14513E-16 -16.8382 0.11802E-17 -17.9280 0.81323E-01 -1.0898 39 CuCl+ 0.10613E-16 -16.9741 0.61995E-17 -17.2076 0.58412E+00 -0.2335 40 CuCl2,aq 0.56528E-18 -18.2477 0.56528E-18 -18.2477 0.10000E+01 0.0000 43 CuCl,aq 0.10070E-08 -8.9970 0.10070E-08 -8.9970 0.10000E+01 0.0000 44 CuCl2- 0.96888E-08 -8.0137 0.54930E-08 -8.2602 0.56694E+00 -0.2465 45 CuCl3-2 0.76480E-09 -9.1164 0.67570E-10 -10.1702 0.88350E-01 -1.0538 47 CuOH+ 0.85226E-19 -19.0694 0.49783E-19 -19.3029 0.58412E+00 -0.2335 50 Fe+3 0.22458E-19 -19.6486 0.90610E-22 -22.0428 0.40346E-02 -2.3942 51 FeCl+ 0.40061E-08 -8.3973 0.23401E-08 -8.6308 0.58412E+00 -0.2335 52 FeCl2,aq 0.56746E-11 -11.2461 0.56746E-11 -11.2461 0.10000E+01 0.0000 53 FeCl+2 0.86359E-19 -19.0637 0.70230E-20 -20.1535 0.81323E-01 -1.0898 54 FeO,aq 0.13482E-14 -14.8703 0.13482E-14 -14.8703 0.10000E+01 0.0000 55 FeOH+ 0.11077E-10 -10.9556 0.64701E-11 -11.1891 0.58412E+00 -0.2335 56 HFeO2- 0.81237E-18 -18.0902 0.46057E-18 -18.3367 0.56694E+00 -0.2465 57 FeO+ 0.37374E-15 -15.4274 0.21831E-15 -15.6609 0.58412E+00 -0.2335 58 FeOH+2 0.13629E-16 -16.8655 0.11084E-17 -17.9553 0.81323E-01 -1.0898 59 FeO2- 0.37442E-18 -18.4266 0.21227E-18 -18.6731 0.56694E+00 -0.2465 60 HFeO2,aq 0.26516E-15 -15.5765 0.26516E-15 -15.5765 0.10000E+01 0.0000 61 H2,aq 0.21654E-05 -5.6645 0.19491E-05 -5.7102 0.90013E+00 -0.0457 62 KCl,aq 0.10085E-02 -2.9963 0.10085E-02 -2.9963 0.10000E+01 0.0000 63 KHSO4,aq 0.13339E-12 -12.8749 0.13339E-12 -12.8749 0.10000E+01 0.0000 64 KOH,aq 0.24038E-08 -8.6191 0.24038E-08 -8.6191 0.10000E+01 0.0000 65 KSO4- 0.67987E-09 -9.1676 0.38545E-09 -9.4140 0.56694E+00 -0.2465 66 MgCO3,aq 0.13025E-09 -9.8852 0.13025E-09 -9.8852 0.10000E+01 0.0000 67 Mg(HCO3)+ 0.25387E-05 -5.5954 0.14829E-05 -5.8289 0.58412E+00 -0.2335 68 MgCl+ 0.13441E-03 -3.8716 0.78514E-04 -4.1051 0.58412E+00 -0.2335 69 MgOH+ 0.93930E-08 -8.0272 0.54867E-08 -8.2607 0.58412E+00 -0.2335 70 NaCl,aq 0.57158E-01 -1.2429 0.57158E-01 -1.2429 0.10000E+01 0.0000 71 NaOH,aq 0.10691E-07 -7.9710 0.10691E-07 -7.9710 0.10000E+01 0.0000 73 OH- 0.82896E-07 -7.0815 0.45439E-07 -7.3426 0.54814E+00 -0.2611 76 PbCl+ 0.46980E-08 -8.3281 0.27442E-08 -8.5616 0.58412E+00 -0.2335 77 PbCl2,aq 0.10321E-07 -7.9863 0.10321E-07 -7.9863 0.10000E+01 0.0000 78 PbCl3- 0.38727E-08 -8.4120 0.21956E-08 -8.6584 0.56694E+00 -0.2465 79 PbCl4-2 0.18495E-08 -8.7330 0.16340E-09 -9.7867 0.88350E-01 -1.0538 80 PbO,aq 0.43169E-14 -14.3648 0.43169E-14 -14.3648 0.10000E+01 0.0000 81 HPbO2- 0.24125E-19 -19.6175 0.13677E-19 -19.8640 0.56694E+00 -0.2465 82 Pb(HS)2,aq 0.32201E-06 -6.4921 0.32201E-06 -6.4921 0.10000E+01 0.0000 83 Pb(HS)3- 0.55736E-09 -9.2539 0.31599E-09 -9.5003 0.56694E+00 -0.2465 84 H2S,aq 0.25690E-01 -1.5902 0.23124E-01 -1.6359 0.90013E+00 -0.0457 85 S2-2 0.20245E-10 -10.6937 0.17886E-11 -11.7475 0.88350E-01 -1.0538 86 S3-2 0.16089E-11 -11.7935 0.14215E-12 -12.8473 0.88350E-01 -1.0538 87 S3- 0.27238E-09 -9.5648 0.15442E-09 -9.8113 0.56694E+00 -0.2465 88 S4-2 0.89604E-13 -13.0477 0.79165E-14 -14.1015 0.88350E-01 -1.0538 89 S5-2 0.35360E-14 -14.4515 0.31241E-15 -15.5053 0.88350E-01 -1.0538 90 SO2,aq 0.28376E-12 -12.5470 0.28376E-12 -12.5470 0.10000E+01 0.0000 91 SO3-2 0.31243E-15 -15.5052 0.32462E-16 -16.4886 0.10390E+00 -0.9834 92 HSO3- 0.13041E-11 -11.8847 0.73937E-12 -12.1311 0.56694E+00 -0.2465 93 HSO4- 0.27943E-09 -9.5537 0.16515E-09 -9.7821 0.59102E+00 -0.2284 95 S2O3-2 0.78436E-12 -12.1055 0.69298E-13 -13.1593 0.88350E-01 -1.0538 96 HS2O3- 0.11247E-13 -13.9490 0.63763E-14 -14.1954 0.56694E+00 -0.2465 97 H2S2O3,aq 0.31686E-16 -16.4991 0.31686E-16 -16.4991 0.10000E+01 0.0000 107 ZnCl+ 0.34311E-06 -6.4646 0.20042E-06 -6.6981 0.58412E+00 -0.2335 108 ZnCl2,aq 0.47495E-07 -7.3234 0.47495E-07 -7.3234 0.10000E+01 0.0000 109 ZnCl3- 0.33882E-08 -8.4700 0.19209E-08 -8.7165 0.56694E+00 -0.2465 110 ZnO,aq 0.39538E-13 -13.4030 0.39538E-13 -13.4030 0.10000E+01 0.0000 111 ZnOH+ 0.10411E-08 -8.9825 0.60811E-09 -9.2160 0.58412E+00 -0.2335 113 HZnO2- 0.13096E-17 -17.8829 0.74248E-18 -18.1293 0.56694E+00 -0.2465 Charge balance for all species = 0.1436E-04 Component Molality Aq.molality ppm log[A(N)/A(H+)**Z] (total) 1 H+ 0.1977481E-03 0.1613788E+00 0.1553669E+03 -0.0000 2 H2O 0.1000000E+01 0.5537288E+02 0.9528311E+06 0.0000 3 Cl- 0.5956147E+00 0.6613289E+00 0.2239483E+05 3.4794 4 SO4-- 0.2303798E-08 -.1042371E-03 -.9564214E+01 -1.7784 5 HCO3- 0.5010736E-03 0.1361681E+00 0.7936063E+04 0.4139 6 HS- 0.1176008E-03 0.2591219E-01 0.8185437E+03 -0.2242 7 H4SiO4 0.3221626E-02 0.3221893E-02 0.2957886E+03 -2.4919 8 Ca++ 0.2268712E-01 0.2985167E-01 0.1142752E+04 5.1774 9 Mg++ 0.7279865E-03 0.8649477E-03 0.2008574E+02 3.6568 10 Fe++ 0.1798436E-07 0.2200724E-07 0.1173931E-02 -0.9438 11 K+ 0.7896433E-01 0.7997278E-01 0.2986885E+04 2.6135 12 Na+ 0.4632702E+00 0.5204288E+00 0.1142809E+05 3.3700 13 Zn++ 0.3626468E-08 0.3986609E-06 0.2489198E-01 -1.6392 14 Cu+ 0.1137745E-11 0.1146174E-07 0.6956251E-03 -8.2401 15 Pb++ 0.5402443E-09 0.3438448E-06 0.6804693E-01 -2.4293 Component Tot moles Aq. moles Solid moles Gas moles 1 H+ 0.1632321E+00 0.1618569E+00 0.1375198E-02 0.0000000E+00 2 H2O 0.5550825E+02 0.5553694E+02 -.2869466E-01 0.0000000E+00 3 Cl- 0.6632884E+00 0.6632884E+00 0.0000000E+00 0.0000000E+00 4 SO4-- -.1473305E-02 -.1045459E-03 -.1368759E-02 0.0000000E+00 5 HCO3- 0.1393221E+00 0.1365716E+00 0.2750506E-02 0.0000000E+00 6 HS- 0.2741622E-01 0.2598897E-01 0.1427256E-02 0.0000000E+00 7 H4SiO4 0.1619053E-01 0.3231439E-02 0.1295909E-01 0.0000000E+00 8 Ca++ 0.2994012E-01 0.2994012E-01 0.0000000E+00 0.0000000E+00 9 Mg++ 0.8675104E-03 0.8675104E-03 0.0000000E+00 0.0000000E+00 10 Fe++ 0.2604518E-04 0.2207245E-07 0.2602311E-04 0.0000000E+00 11 K+ 0.8020973E-01 0.8020973E-01 0.0000000E+00 0.0000000E+00 12 Na+ 0.5219708E+00 0.5219708E+00 0.0000000E+00 0.0000000E+00 13 Zn++ 0.5000000E-05 0.3998421E-06 0.4600158E-05 0.0000000E+00 14 Cu+ 0.5000000E-06 0.1149570E-07 0.4885043E-06 0.0000000E+00 15 Pb++ 0.2000000E-05 0.3448636E-06 0.1655136E-05 0.0000000E+00 Chg. balance for solid moles: -.3549E-18 Mass of aqueous solution: 0.105004E+04 g Temperature = 170.00 C Pressure = 500.00 bar Mixer frac. = 0.0000000 Log Log Vol Gas or mineral Moles Moles Grams Grams Wt.% (cm3) graphite 0.2751E-02 -2.561 0.3303E-01 -1.481 4.050 0.1458E-01 pyrite 0.2593E-04 -4.586 0.3111E-02 -2.507 0.3814 0.6206E-03 quartz 0.1296E-01 -1.887 0.7786 -0.109 95.46 0.2940 bornite 0.9770E-07 -7.010 0.4903E-04 -4.310 0.6011E-02 0.9645E-05 galena 0.1655E-05 -5.781 0.3960E-03 -3.402 0.4855E-01 0.5212E-04 sphalerite 0.4600E-05 -5.337 0.4482E-03 -3.349 0.5495E-01 0.1096E-03 Partial press. Fugacity coef Log fugacity Gas or Mineral Mole fraction or activity Activity coef Log activity graphite 0.1000E+01 0.1000E+01 1.0000 0.000 pyrite 0.1000E+01 0.1000E+01 1.0000 0.000 quartz 0.1000E+01 0.1000E+01 1.0000 0.000 bornite 0.1000E+01 0.1000E+01 1.0000 0.000 galena 0.1000E+01 0.1000E+01 1.0000 0.000 sphalerite 0.1000E+01 0.1000E+01 1.0000 0.000 Solid products produced: Mass = 0.815619 g Volume = 0.309396 cm3 WARNING: mineral volume may be in error because some mineral densities were not supplied in SOLTHERM. See mineral list in file Skip_Species.txt. Gas composition at saturation ( 3 iterations) ------------------------------------------------- Temperature: 170.0000 deg.C Sat. pressure: 44.3040 bar Gas Mole fraction phi Fugacity Partial P(bar) H2O,gas 0.2675E+00 0.7891 0.9352E+01 0.1185E+02 CO2,gas 0.6958E+00 0.9470 0.2919E+02 0.3083E+02 CH4,gas 0.3834E-02 1.0674 0.1813E+00 0.1698E+00 H2,gas 0.5236E-04 1.0201 0.2367E-02 0.2320E-02 H2S,gas 0.3280E-01 0.9015 0.1310E+01 0.1453E+01 S2,gas 0.1606E-11 1.0000 0.7116E-10 0.7116E-10 CO,gas 0.3532E-06 1.0000 0.1565E-04 0.1565E-04 SO3,gas 0.1405E-28 1.0000 0.6224E-27 0.6224E-27 O2,gas 0.1855E-46 1.0000 0.8220E-45 0.8220E-45 SO2,gas 0.9207E-13 1.0000 0.4079E-11 0.4079E-11 NON-Ideal mixing with H2O, CO2, CH4 Gases ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ The following gases and minerals are presently in matrix or were just added Gas or Mineral Log K Log Q Log(Q/K) Log(Q/K)/S Affinity Log Fugacity 46 graphite -2.75 -2.75 0.00 0.000 0.00000E+00 70 pyrite -19.55 -19.55 -0.00 -0.000 0.72041E-11 73 quartz -2.47 -2.47 0.00 0.000 0.00000E+00 98 bornite -75.83 -75.83 0.00 0.000 0.00000E+00 118 galena -10.56 -10.56 -0.00 -0.000 0.36021E-11 128 sphalerite -9.77 -9.77 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 1.72 -0.01 -1.73 -1.728 0.35041E+04 0.971 2 CO2,gas -6.24 -7.48 -1.23 -0.411 0.25016E+04 1.465 3 CH4,gas 5.40 1.96 -3.44 -0.860 0.69767E+04 -0.742 4 H2,gas 7.68 2.35 -5.32 -3.043 0.10798E+05 -2.626 5 H2S,gas -5.54 -8.13 -2.58 -1.291 0.52351E+04 0.117 6 S2,gas -8.11 -20.96 -12.85 -1.976 0.26050E+05 -10.148 7 CO,gas 2.39 -5.11 -7.50 -2.309 0.15218E+05 -4.806 8 SO3,gas 12.33 -17.57 -29.90 -7.476 0.60641E+05 -27.206 9 O2,gas 43.06 -4.73 -47.78 -31.856 0.96896E+05 -45.085 10 SO2,gas -1.12 -15.21 -14.09 -3.757 0.28568E+05 -11.389 11 HCl,gas 1.44 -4.42 -5.86 -2.930 0.11882E+05 -5.860 21 aragonite 0.21 -2.31 -2.52 -0.841 0.51171E+04 23 calcite 0.07 -2.31 -2.38 -0.795 0.48351E+04 28 coesite -1.95 -2.47 -0.52 -0.173 0.10518E+04 30 cristobalite -2.14 -2.47 -0.33 -0.111 0.67695E+03 34 diamond -2.35 -2.75 -0.40 -0.113 0.80454E+03 49 halite 1.46 -1.05 -2.52 -1.258 0.51002E+04 56 magnesite -0.42 -3.83 -3.41 -1.136 0.69128E+04 71 pyrrhotite -4.72 -9.07 -4.35 -1.449 0.88138E+04 72 pyrrhotiteFe0.875 -6.15 -9.24 -3.09 -1.138 0.62722E+04 80 stishovite 2.43 -2.47 -4.90 -1.634 0.99410E+04 81 sulfur -8.56 -10.48 -1.92 -0.592 0.38990E+04 82 sylvite 1.44 -1.81 -3.25 -1.625 0.65907E+04 88 tridymite -2.17 -2.47 -0.30 -0.100 0.60550E+03 91 troilite-low -4.80 -9.07 -4.27 -1.422 0.86492E+04 100 chalcedony -2.32 -2.47 -0.16 -0.053 0.31982E+03 101 chalcocite -23.32 -24.61 -1.29 -0.321 0.26067E+04 102 covellite -17.02 -17.54 -0.53 -0.201 0.10684E+04 114 chalcopyrite -25.44 -26.61 -1.17 -0.218 0.23804E+04 125 silica-amorphous -1.75 -2.47 -0.72 -0.241 0.14650E+04 129 wurtzite -8.22 -9.77 -1.54 -0.514 0.31260E+04 Calculations done for 170.0000 Deg. C; 500.0000 bar Temperature changed by -5.000 degrees to 165.000 degrees C. Solids and gases carried ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ Test file for CHIM-XPT. Japanese Geothermal Water. Cooling only. See running notes, below. CHIMRUN demo-1 ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ Number of loops used = 9 Loop limit = 470 Temperature = 165.00 C Pressure = 500.00 bar Mixer fraction = 0.0000000 Water: Moles liquid = 0.5567E+02 kg liquid = 0.1003E+01 Moles total = 0.5551E+02 kg total = 0.1000E+01 Activity = 0.9788 Stoichiometric ionic strength = .7750293E+00 Osmotic coef. = 0.9009 True ionic strength = .6224146E+00 Chg. balance for total moles = 0.1440E-04 Max. difference allowed = 0.6633E-04 Log Log Log Species(n) Molality Molality Activity Activity Gamma Gamma 1 H+ 0.20764E-03 -3.6827 0.11877E-03 -3.9253 0.57198E+00 -0.2426 2 H2O 0.97878E+00 -0.0093 0.97878E+00 -0.0093 3 Cl- 0.59799E+00 -0.2233 0.34224E+00 -0.4657 0.57232E+00 -0.2424 4 SO4-- 0.31049E-08 -8.5079 0.29149E-09 -9.5354 0.93880E-01 -1.0274 5 HCO3- 0.51598E-03 -3.2874 0.30155E-03 -3.5206 0.58442E+00 -0.2333 6 HS- 0.11487E-03 -3.9398 0.65891E-04 -4.1812 0.57359E+00 -0.2414 7 H4SiO4 0.30195E-02 -2.5201 0.30195E-02 -2.5201 0.10000E+01 0.0000 8 Ca++ 0.23058E-01 -1.6372 0.19905E-02 -2.7010 0.86328E-01 -1.0638 9 Mg++ 0.73311E-03 -3.1348 0.59673E-04 -4.2242 0.81397E-01 -1.0894 10 Fe++ 0.13643E-07 -7.8651 0.11267E-08 -8.9482 0.82582E-01 -1.0831 11 K+ 0.79040E-01 -1.1022 0.46388E-01 -1.3336 0.58689E+00 -0.2314 12 Na+ 0.46517E+00 -0.3324 0.26598E+00 -0.5751 0.57179E+00 -0.2428 13 Zn++ 0.36130E-08 -8.4421 0.29837E-09 -9.5252 0.82582E-01 -1.0831 14 Cu+ 0.88085E-12 -12.0551 0.50328E-12 -12.2982 0.57136E+00 -0.2431 15 Pb++ 0.47188E-09 -9.3262 0.42240E-10 -10.3743 0.89514E-01 -1.0481 16 HSiO3- 0.98098E-07 -7.0083 0.56144E-07 -7.2507 0.57232E+00 -0.2424 17 Ca(HSiO3)+ 0.12083E-07 -7.9178 0.71113E-08 -8.1481 0.58853E+00 -0.2302 18 Mg(HSiO3)+ 0.34479E-09 -9.4625 0.20292E-09 -9.6927 0.58853E+00 -0.2302 19 NaHSiO3,aq 0.12702E-06 -6.8961 0.12702E-06 -6.8961 0.10000E+01 0.0000 20 CH4,aq 0.75459E-04 -4.1223 0.67932E-04 -4.1679 0.90026E+00 -0.0456 21 C2H6,aq 0.22415E-10 -10.6495 0.20180E-10 -10.6951 0.90026E+00 -0.0456 22 C3H8,aq 0.71559E-16 -16.1453 0.64422E-16 -16.1910 0.90026E+00 -0.0456 24 ethanol,aq 0.60701E-15 -15.2168 0.54646E-15 -15.2624 0.90026E+00 -0.0456 25 CO,aq 0.78496E-08 -8.1052 0.78496E-08 -8.1052 0.10000E+01 0.0000 26 CO2,aq 0.13543E+00 -0.8683 0.12192E+00 -0.9139 0.90026E+00 -0.0456 27 CO3-2 0.27009E-08 -8.5685 0.24738E-09 -9.6066 0.91593E-01 -1.0381 28 CaCO3,aq 0.26367E-07 -7.5789 0.26367E-07 -7.5789 0.10000E+01 0.0000 29 Ca(HCO3)+ 0.83229E-04 -4.0797 0.48983E-04 -4.3100 0.58853E+00 -0.2302 30 CaCl+ 0.64128E-02 -2.1930 0.37741E-02 -2.4232 0.58853E+00 -0.2302 31 CaCl2,aq 0.29757E-03 -3.5264 0.29757E-03 -3.5264 0.10000E+01 0.0000 32 CaOH+ 0.64819E-07 -7.1883 0.38148E-07 -7.4185 0.58853E+00 -0.2302 33 CaSO4,aq 0.46267E-09 -9.3347 0.46267E-09 -9.3347 0.10000E+01 0.0000 34 HCl,aq 0.17073E-04 -4.7677 0.17073E-04 -4.7677 0.10000E+01 0.0000 38 Cu+2 0.13704E-16 -16.8631 0.11583E-17 -17.9362 0.84523E-01 -1.0730 39 CuCl+ 0.95043E-17 -17.0221 0.55935E-17 -17.2523 0.58853E+00 -0.2302 40 CuCl2,aq 0.47711E-18 -18.3214 0.47711E-18 -18.3214 0.10000E+01 0.0000 43 CuCl,aq 0.79804E-09 -9.0980 0.79804E-09 -9.0980 0.10000E+01 0.0000 44 CuCl2- 0.76990E-08 -8.1136 0.44063E-08 -8.3559 0.57232E+00 -0.2424 45 CuCl3-2 0.61646E-09 -9.2101 0.56463E-10 -10.2482 0.91593E-01 -1.0381 47 CuOH+ 0.68475E-19 -19.1645 0.40299E-19 -19.3947 0.58853E+00 -0.2302 50 Fe+3 0.17571E-19 -19.7552 0.77001E-22 -22.1135 0.43823E-02 -2.3583 51 FeCl+ 0.28808E-08 -8.5405 0.16954E-08 -8.7707 0.58853E+00 -0.2302 52 FeCl2,aq 0.29135E-11 -11.5356 0.29135E-11 -11.5356 0.10000E+01 0.0000 53 FeCl+2 0.65194E-19 -19.1858 0.55104E-20 -20.2588 0.84523E-01 -1.0730 54 FeO,aq 0.67432E-15 -15.1711 0.67432E-15 -15.1711 0.10000E+01 0.0000 55 FeOH+ 0.69817E-11 -11.1560 0.41089E-11 -11.3863 0.58853E+00 -0.2302 56 HFeO2- 0.35880E-18 -18.4452 0.20535E-18 -18.6875 0.57232E+00 -0.2424 57 FeO+ 0.23343E-15 -15.6318 0.13738E-15 -15.8621 0.58853E+00 -0.2302 58 FeOH+2 0.93321E-17 -17.0300 0.78878E-18 -18.1030 0.84523E-01 -1.0730 59 FeO2- 0.16048E-18 -18.7946 0.91844E-19 -19.0370 0.57232E+00 -0.2424 60 HFeO2,aq 0.14005E-15 -15.8537 0.14005E-15 -15.8537 0.10000E+01 0.0000 61 H2,aq 0.16013E-05 -5.7955 0.14416E-05 -5.8412 0.90026E+00 -0.0456 62 KCl,aq 0.93209E-03 -3.0305 0.93209E-03 -3.0305 0.10000E+01 0.0000 63 KHSO4,aq 0.14773E-12 -12.8305 0.14773E-12 -12.8305 0.10000E+01 0.0000 64 KOH,aq 0.19959E-08 -8.6999 0.19959E-08 -8.6999 0.10000E+01 0.0000 65 KSO4- 0.87650E-09 -9.0572 0.50164E-09 -9.2996 0.57232E+00 -0.2424 66 MgCO3,aq 0.12661E-09 -9.8975 0.12661E-09 -9.8975 0.10000E+01 0.0000 67 Mg(HCO3)+ 0.24661E-05 -5.6080 0.14513E-05 -5.8382 0.58853E+00 -0.2302 68 MgCl+ 0.12935E-03 -3.8882 0.76129E-04 -4.1185 0.58853E+00 -0.2302 69 MgOH+ 0.74671E-08 -8.1269 0.43946E-08 -8.3571 0.58853E+00 -0.2302 70 NaCl,aq 0.55251E-01 -1.2577 0.55251E-01 -1.2577 0.10000E+01 0.0000 71 NaOH,aq 0.90605E-08 -8.0428 0.90605E-08 -8.0428 0.10000E+01 0.0000 73 OH- 0.70315E-07 -7.1530 0.39007E-07 -7.4089 0.55474E+00 -0.2559 76 PbCl+ 0.39073E-08 -8.4081 0.22996E-08 -8.6384 0.58853E+00 -0.2302 77 PbCl2,aq 0.82790E-08 -8.0820 0.82790E-08 -8.0820 0.10000E+01 0.0000 78 PbCl3- 0.30377E-08 -8.5174 0.17386E-08 -8.7598 0.57232E+00 -0.2424 79 PbCl4-2 0.14463E-08 -8.8397 0.13247E-09 -9.8779 0.91593E-01 -1.0381 80 PbO,aq 0.27416E-14 -14.5620 0.27416E-14 -14.5620 0.10000E+01 0.0000 81 HPbO2- 0.13801E-19 -19.8601 0.78984E-20 -20.1025 0.57232E+00 -0.2424 82 Pb(HS)2,aq 0.29320E-06 -6.5328 0.29320E-06 -6.5328 0.10000E+01 0.0000 83 Pb(HS)3- 0.48163E-09 -9.3173 0.27565E-09 -9.5596 0.57232E+00 -0.2424 84 H2S,aq 0.25692E-01 -1.5902 0.23130E-01 -1.6358 0.90026E+00 -0.0456 85 S2-2 0.20284E-10 -10.6929 0.18579E-11 -11.7310 0.91593E-01 -1.0381 86 S3-2 0.19746E-11 -11.7045 0.18086E-12 -12.7427 0.91593E-01 -1.0381 87 S3- 0.32910E-09 -9.4827 0.18835E-09 -9.7250 0.57232E+00 -0.2424 88 S4-2 0.13423E-12 -12.8722 0.12294E-13 -13.9103 0.91593E-01 -1.0381 89 S5-2 0.64420E-14 -14.1910 0.59004E-15 -15.2291 0.91593E-01 -1.0381 90 SO2,aq 0.26306E-12 -12.5799 0.26306E-12 -12.5799 0.10000E+01 0.0000 91 SO3-2 0.33498E-15 -15.4750 0.35857E-16 -16.4454 0.10704E+00 -0.9704 92 HSO3- 0.13240E-11 -11.8781 0.75775E-12 -12.1205 0.57232E+00 -0.2424 93 HSO4- 0.34859E-09 -9.4577 0.20752E-09 -9.6830 0.59531E+00 -0.2253 95 S2O3-2 0.10562E-11 -11.9763 0.96736E-13 -13.0144 0.91593E-01 -1.0381 96 HS2O3- 0.14673E-13 -13.8335 0.83979E-14 -14.0758 0.57232E+00 -0.2424 97 H2S2O3,aq 0.40562E-16 -16.3919 0.40562E-16 -16.3919 0.10000E+01 0.0000 107 ZnCl+ 0.28732E-06 -6.5416 0.16909E-06 -6.7719 0.58853E+00 -0.2302 108 ZnCl2,aq 0.39342E-07 -7.4051 0.39342E-07 -7.4051 0.10000E+01 0.0000 109 ZnCl3- 0.28261E-08 -8.5488 0.16174E-08 -8.7912 0.57232E+00 -0.2424 110 ZnO,aq 0.26740E-13 -13.5728 0.26740E-13 -13.5728 0.10000E+01 0.0000 111 ZnOH+ 0.80733E-09 -9.0929 0.47514E-09 -9.3232 0.58853E+00 -0.2302 113 HZnO2- 0.78635E-18 -18.1044 0.45005E-18 -18.3467 0.57232E+00 -0.2424 Charge balance for all species = 0.1436E-04 Component Molality Aq.molality ppm log[A(N)/A(H+)**Z] (total) 1 H+ 0.2076441E-03 0.1613492E+00 0.1553415E+03 -0.0000 2 H2O 0.1000000E+01 0.5537289E+02 0.9528507E+06 0.0000 3 Cl- 0.5979855E+00 0.6613236E+00 0.2239511E+05 3.4596 4 SO4-- 0.3104925E-08 -.7585605E-04 -.6960272E+01 -1.6848 5 HCO3- 0.5159773E-03 0.1361103E+00 0.7932852E+04 0.4046 6 HS- 0.1148745E-03 0.2588349E-01 0.8176538E+03 -0.2559 7 H4SiO4 0.3019463E-02 0.3019700E-02 0.2772317E+03 -2.5201 8 Ca++ 0.2305769E-01 0.2985143E-01 0.1142766E+04 5.1496 9 Mg++ 0.7331129E-03 0.8649407E-03 0.2008599E+02 3.6264 10 Fe++ 0.1364276E-07 0.1653345E-07 0.8819610E-03 -1.0976 11 K+ 0.7904004E-01 0.7997213E-01 0.2986921E+04 2.5917 12 Na+ 0.4651734E+00 0.5204246E+00 0.1142823E+05 3.3501 13 Zn++ 0.3613034E-08 0.3339059E-06 0.2084917E-01 -1.6746 14 Cu+ 0.8808510E-12 0.9114361E-08 0.5531712E-03 -8.3729 15 Pb++ 0.4718767E-09 0.3108269E-06 0.6151394E-01 -2.5237 Component Tot moles Aq. moles Solid moles Gas moles 1 H+ 0.1632321E+00 0.1618286E+00 0.1403566E-02 0.0000000E+00 2 H2O 0.5550825E+02 0.5553741E+02 -.2915713E-01 0.0000000E+00 3 Cl- 0.6632884E+00 0.6632884E+00 0.0000000E+00 0.0000000E+00 4 SO4-- -.1473305E-02 -.7608142E-04 -.1397224E-02 0.0000000E+00 5 HCO3- 0.1393221E+00 0.1365147E+00 0.2807437E-02 0.0000000E+00 6 HS- 0.2741622E-01 0.2596039E-01 0.1455831E-02 0.0000000E+00 7 H4SiO4 0.1619053E-01 0.3028672E-02 0.1316186E-01 0.0000000E+00 8 Ca++ 0.2994012E-01 0.2994012E-01 0.0000000E+00 0.0000000E+00 9 Mg++ 0.8675104E-03 0.8675104E-03 0.0000000E+00 0.0000000E+00 10 Fe++ 0.2604518E-04 0.1658257E-07 0.2602860E-04 0.0000000E+00 11 K+ 0.8020973E-01 0.8020973E-01 0.0000000E+00 0.0000000E+00 12 Na+ 0.5219708E+00 0.5219708E+00 0.0000000E+00 0.0000000E+00 13 Zn++ 0.5000000E-05 0.3348979E-06 0.4665102E-05 0.0000000E+00 14 Cu+ 0.5000000E-06 0.9141440E-08 0.4908586E-06 0.0000000E+00 15 Pb++ 0.2000000E-05 0.3117504E-06 0.1688250E-05 0.0000000E+00 Chg. balance for solid moles: 0.2194E-18 Mass of aqueous solution: 0.105003E+04 g Temperature = 165.00 C Pressure = 500.00 bar Mixer frac. = 0.0000000 Log Log Vol Gas or mineral Moles Moles Grams Grams Wt.% (cm3) graphite 0.2807E-02 -2.552 0.3372E-01 -1.472 4.070 0.1488E-01 pyrite 0.2593E-04 -4.586 0.3111E-02 -2.507 0.3755 0.6207E-03 quartz 0.1316E-01 -1.881 0.7908 -0.102 95.45 0.2986 bornite 0.9817E-07 -7.008 0.4926E-04 -4.307 0.5946E-02 0.9692E-05 galena 0.1688E-05 -5.773 0.4039E-03 -3.394 0.4875E-01 0.5316E-04 sphalerite 0.4665E-05 -5.331 0.4545E-03 -3.342 0.5486E-01 0.1112E-03 Partial press. Fugacity coef Log fugacity Gas or Mineral Mole fraction or activity Activity coef Log activity graphite 0.1000E+01 0.1000E+01 1.0000 0.000 pyrite 0.1000E+01 0.1000E+01 1.0000 0.000 quartz 0.1000E+01 0.1000E+01 1.0000 0.000 bornite 0.1000E+01 0.1000E+01 1.0000 0.000 galena 0.1000E+01 0.1000E+01 1.0000 0.000 sphalerite 0.1000E+01 0.1000E+01 1.0000 0.000 Solid products produced: Mass = 0.828501 g Volume = 0.314301 cm3 WARNING: mineral volume may be in error because some mineral densities were not supplied in SOLTHERM. See mineral list in file Skip_Species.txt. Gas composition at saturation ( 3 iterations) ------------------------------------------------- Temperature: 165.0000 deg.C Sat. pressure: 43.1242 bar Gas Mole fraction phi Fugacity Partial P(bar) H2O,gas 0.2434E+00 0.7933 0.8327E+01 0.1050E+02 CO2,gas 0.7198E+00 0.9446 0.2932E+02 0.3104E+02 CH4,gas 0.3005E-02 1.0623 0.1376E+00 0.1296E+00 H2,gas 0.4147E-04 1.0198 0.1824E-02 0.1788E-02 H2S,gas 0.3376E-01 0.9008 0.1311E+01 0.1456E+01 S2,gas 0.1636E-11 1.0000 0.7054E-10 0.7054E-10 CO,gas 0.2782E-06 1.0000 0.1200E-04 0.1200E-04 SO3,gas 0.9668E-29 1.0000 0.4169E-27 0.4169E-27 O2,gas 0.5663E-47 1.0000 0.2442E-45 0.2442E-45 SO2,gas 0.8557E-13 1.0000 0.3690E-11 0.3690E-11 NON-Ideal mixing with H2O, CO2, CH4 Gases ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ The following gases and minerals are presently in matrix or were just added Gas or Mineral Log K Log Q Log(Q/K) Log(Q/K)/S Affinity Log Fugacity 46 graphite -2.80 -2.80 0.00 0.000 0.00000E+00 70 pyrite -19.62 -19.62 0.00 0.000 0.00000E+00 73 quartz -2.50 -2.50 0.00 0.000 0.00000E+00 98 bornite -76.54 -76.54 -0.00 -0.000 0.28491E-10 118 galena -10.63 -10.63 0.00 0.000 0.00000E+00 128 sphalerite -9.78 -9.78 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 1.77 -0.01 -1.78 -1.778 0.35657E+04 0.920 2 CO2,gas -6.20 -7.44 -1.23 -0.411 0.24696E+04 1.467 3 CH4,gas 5.38 1.82 -3.56 -0.890 0.71379E+04 -0.861 4 H2,gas 7.75 2.31 -5.44 -3.107 0.10903E+05 -2.739 5 H2S,gas -5.53 -8.11 -2.58 -1.291 0.51751E+04 0.118 6 S2,gas -7.98 -20.83 -12.85 -1.977 0.25764E+05 -10.152 7 CO,gas 2.50 -5.12 -7.62 -2.345 0.15277E+05 -4.921 8 SO3,gas 12.70 -17.38 -30.08 -7.520 0.60305E+05 -27.380 9 O2,gas 43.67 -4.64 -48.31 -32.207 0.96859E+05 -45.612 10 SO2,gas -0.92 -15.06 -14.13 -3.769 0.28333E+05 -11.433 11 HCl,gas 1.56 -4.39 -5.95 -2.977 0.11936E+05 -5.954 21 aragonite 0.28 -2.30 -2.57 -0.858 0.51600E+04 23 calcite 0.14 -2.30 -2.43 -0.812 0.48811E+04 28 coesite -1.98 -2.50 -0.52 -0.175 0.10496E+04 30 cristobalite -2.16 -2.50 -0.34 -0.114 0.68359E+03 34 diamond -2.40 -2.80 -0.40 -0.114 0.79923E+03 49 halite 1.48 -1.04 -2.52 -1.260 0.50520E+04 56 magnesite -0.34 -3.82 -3.48 -1.161 0.69805E+04 71 pyrrhotite -4.68 -9.20 -4.53 -1.509 0.90767E+04 72 pyrrhotiteFe0.875 -6.12 -9.35 -3.23 -1.188 0.64741E+04 80 stishovite 2.45 -2.50 -4.95 -1.649 0.99203E+04 81 sulfur -8.58 -10.42 -1.84 -0.566 0.36908E+04 82 sylvite 1.45 -1.80 -3.25 -1.623 0.65076E+04 88 tridymite -2.20 -2.50 -0.30 -0.101 0.61029E+03 91 troilite-low -4.76 -9.20 -4.44 -1.481 0.89054E+04 100 chalcedony -2.34 -2.50 -0.16 -0.053 0.31974E+03 101 chalcocite -23.58 -24.85 -1.27 -0.318 0.25465E+04 102 covellite -17.18 -17.63 -0.46 -0.174 0.91649E+03 114 chalcopyrite -25.60 -26.84 -1.24 -0.231 0.24923E+04 125 silica-amorphous -1.77 -2.50 -0.74 -0.245 0.14742E+04 129 wurtzite -8.22 -9.78 -1.56 -0.520 0.31268E+04 Calculations done for 165.0000 Deg. C; 500.0000 bar Temperature changed by -5.000 degrees to 160.000 degrees C. Solids and gases carried ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ Test file for CHIM-XPT. Japanese Geothermal Water. Cooling only. See running notes, below. CHIMRUN demo-1 ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ Number of loops used = 8 Loop limit = 470 Temperature = 160.00 C Pressure = 500.00 bar Mixer fraction = 0.0000000 Water: Moles liquid = 0.5567E+02 kg liquid = 0.1003E+01 Moles total = 0.5551E+02 kg total = 0.1000E+01 Activity = 0.9787 Stoichiometric ionic strength = .7750335E+00 Osmotic coef. = 0.9039 True ionic strength = .6250834E+00 Chg. balance for total moles = 0.1440E-04 Max. difference allowed = 0.6633E-04 Log Log Log Species(n) Molality Molality Activity Activity Gamma Gamma 1 H+ 0.21760E-03 -3.6623 0.12572E-03 -3.9006 0.57775E+00 -0.2383 2 H2O 0.97871E+00 -0.0093 0.97871E+00 -0.0093 3 Cl- 0.60028E+00 -0.2216 0.34670E+00 -0.4601 0.57755E+00 -0.2384 4 SO4-- 0.41982E-08 -8.3769 0.40795E-09 -9.3894 0.97172E-01 -1.0125 5 HCO3- 0.53102E-03 -3.2749 0.31278E-03 -3.5048 0.58901E+00 -0.2299 6 HS- 0.11205E-03 -3.9506 0.64847E-04 -4.1881 0.57875E+00 -0.2375 7 H4SiO4 0.28253E-02 -2.5489 0.28253E-02 -2.5489 0.10000E+01 0.0000 8 Ca++ 0.23410E-01 -1.6306 0.20974E-02 -2.6783 0.89591E-01 -1.0477 9 Mg++ 0.73796E-03 -3.1320 0.62533E-04 -4.2039 0.84738E-01 -1.0719 10 Fe++ 0.10252E-07 -7.9892 0.88069E-09 -9.0552 0.85902E-01 -1.0660 11 K+ 0.79111E-01 -1.1018 0.46770E-01 -1.3300 0.59119E+00 -0.2283 12 Na+ 0.46703E+00 -0.3307 0.26938E+00 -0.5696 0.57679E+00 -0.2390 13 Zn++ 0.35841E-08 -8.4456 0.30788E-09 -9.5116 0.85902E-01 -1.0660 14 Cu+ 0.67628E-12 -12.1699 0.38980E-12 -12.4092 0.57639E+00 -0.2393 15 Pb++ 0.40877E-09 -9.3885 0.37909E-10 -10.4213 0.92739E-01 -1.0327 16 HSiO3- 0.85307E-07 -7.0690 0.49269E-07 -7.3074 0.57755E+00 -0.2384 17 Ca(HSiO3)+ 0.10066E-07 -7.9971 0.59666E-08 -8.2243 0.59276E+00 -0.2271 18 Mg(HSiO3)+ 0.29124E-09 -9.5357 0.17263E-09 -9.7629 0.59276E+00 -0.2271 19 NaHSiO3,aq 0.11542E-06 -6.9377 0.11542E-06 -6.9377 0.10000E+01 0.0000 20 CH4,aq 0.54668E-04 -4.2623 0.49228E-04 -4.3078 0.90050E+00 -0.0455 21 C2H6,aq 0.12680E-10 -10.8969 0.11419E-10 -10.9424 0.90050E+00 -0.0455 22 C3H8,aq 0.33176E-16 -16.4792 0.29875E-16 -16.5247 0.90050E+00 -0.0455 24 ethanol,aq 0.34102E-15 -15.4672 0.30709E-15 -15.5127 0.90050E+00 -0.0455 25 CO,aq 0.56761E-08 -8.2460 0.56761E-08 -8.2460 0.10000E+01 0.0000 26 CO2,aq 0.13540E+00 -0.8684 0.12193E+00 -0.9139 0.90050E+00 -0.0455 27 CO3-2 0.26806E-08 -8.5718 0.25442E-09 -9.5944 0.94913E-01 -1.0227 28 CaCO3,aq 0.25012E-07 -7.6019 0.25012E-07 -7.6019 0.10000E+01 0.0000 29 Ca(HCO3)+ 0.81049E-04 -4.0913 0.48042E-04 -4.3184 0.59276E+00 -0.2271 30 CaCl+ 0.60795E-02 -2.2161 0.36036E-02 -2.4433 0.59276E+00 -0.2271 31 CaCl2,aq 0.28024E-03 -3.5525 0.28024E-03 -3.5525 0.10000E+01 0.0000 32 CaOH+ 0.50626E-07 -7.2956 0.30009E-07 -7.5227 0.59276E+00 -0.2271 33 CaSO4,aq 0.62167E-09 -9.2064 0.62167E-09 -9.2064 0.10000E+01 0.0000 34 HCl,aq 0.17164E-04 -4.7654 0.17164E-04 -4.7654 0.10000E+01 0.0000 38 Cu+2 0.12848E-16 -16.8912 0.11282E-17 -17.9476 0.87811E-01 -1.0565 39 CuCl+ 0.84600E-17 -17.0726 0.50147E-17 -17.2998 0.59276E+00 -0.2271 40 CuCl2,aq 0.40068E-18 -18.3972 0.40068E-18 -18.3972 0.10000E+01 0.0000 43 CuCl,aq 0.62787E-09 -9.2021 0.62787E-09 -9.2021 0.10000E+01 0.0000 44 CuCl2- 0.60750E-08 -8.2165 0.35087E-08 -8.4549 0.57755E+00 -0.2384 45 CuCl3-2 0.49377E-09 -9.3065 0.46865E-10 -10.3292 0.94913E-01 -1.0227 47 CuOH+ 0.54530E-19 -19.2634 0.32323E-19 -19.4905 0.59276E+00 -0.2271 50 Fe+3 0.13580E-19 -19.8671 0.64600E-22 -22.1898 0.47569E-02 -2.3227 51 FeCl+ 0.20543E-08 -8.6873 0.12177E-08 -8.9145 0.59276E+00 -0.2271 52 FeCl2,aq 0.14733E-11 -11.8317 0.14733E-11 -11.8317 0.10000E+01 0.0000 53 FeCl+2 0.48662E-19 -19.3128 0.42731E-20 -20.3693 0.87811E-01 -1.0565 54 FeO,aq 0.33242E-15 -15.4783 0.33242E-15 -15.4783 0.10000E+01 0.0000 55 FeOH+ 0.43508E-11 -11.3614 0.25789E-11 -11.5886 0.59276E+00 -0.2271 56 HFeO2- 0.15610E-18 -18.8066 0.90154E-19 -19.0450 0.57755E+00 -0.2384 57 FeO+ 0.14368E-15 -15.8426 0.85165E-16 -16.0697 0.59276E+00 -0.2271 58 FeOH+2 0.63041E-17 -17.2004 0.55357E-18 -18.2568 0.87811E-01 -1.0565 59 FeO2- 0.67448E-19 -19.1710 0.38955E-19 -19.4094 0.57755E+00 -0.2384 60 HFeO2,aq 0.72623E-16 -16.1389 0.72623E-16 -16.1389 0.10000E+01 0.0000 61 H2,aq 0.11779E-05 -5.9289 0.10607E-05 -5.9744 0.90050E+00 -0.0455 62 KCl,aq 0.86027E-03 -3.0654 0.86027E-03 -3.0654 0.10000E+01 0.0000 63 KHSO4,aq 0.16356E-12 -12.7863 0.16356E-12 -12.7863 0.10000E+01 0.0000 64 KOH,aq 0.16504E-08 -8.7824 0.16504E-08 -8.7824 0.10000E+01 0.0000 65 KSO4- 0.11343E-08 -8.9453 0.65513E-09 -9.1837 0.57755E+00 -0.2384 66 MgCO3,aq 0.12297E-09 -9.9102 0.12297E-09 -9.9102 0.10000E+01 0.0000 67 Mg(HCO3)+ 0.23961E-05 -5.6205 0.14203E-05 -5.8476 0.59276E+00 -0.2271 68 MgCl+ 0.12457E-03 -3.9046 0.73841E-04 -4.1317 0.59276E+00 -0.2271 69 MgOH+ 0.59163E-08 -8.2279 0.35069E-08 -8.4551 0.59276E+00 -0.2271 70 NaCl,aq 0.53392E-01 -1.2725 0.53392E-01 -1.2725 0.10000E+01 0.0000 71 NaOH,aq 0.76514E-08 -8.1163 0.76514E-08 -8.1163 0.10000E+01 0.0000 73 OH- 0.59438E-07 -7.2259 0.33359E-07 -7.4768 0.56125E+00 -0.2508 76 PbCl+ 0.32256E-08 -8.4914 0.19120E-08 -8.7185 0.59276E+00 -0.2271 77 PbCl2,aq 0.65924E-08 -8.1810 0.65924E-08 -8.1810 0.10000E+01 0.0000 78 PbCl3- 0.23663E-08 -8.6259 0.13667E-08 -8.8643 0.57755E+00 -0.2384 79 PbCl4-2 0.11233E-08 -8.9495 0.10661E-09 -9.9722 0.94913E-01 -1.0227 80 PbO,aq 0.17187E-14 -14.7648 0.17187E-14 -14.7648 0.10000E+01 0.0000 82 Pb(HS)2,aq 0.26603E-06 -6.5751 0.26603E-06 -6.5751 0.10000E+01 0.0000 83 Pb(HS)3- 0.41475E-09 -9.3822 0.23954E-09 -9.6206 0.57755E+00 -0.2384 84 H2S,aq 0.25695E-01 -1.5902 0.23138E-01 -1.6357 0.90050E+00 -0.0455 85 S2-2 0.20289E-10 -10.6927 0.19256E-11 -11.7154 0.94913E-01 -1.0227 86 S3-2 0.24265E-11 -11.6150 0.23030E-12 -12.6377 0.94913E-01 -1.0227 87 S3- 0.39906E-09 -9.3990 0.23048E-09 -9.6374 0.57755E+00 -0.2384 88 S4-2 0.20190E-12 -12.6949 0.19163E-13 -13.7175 0.94913E-01 -1.0227 89 S5-2 0.11817E-13 -13.9275 0.11215E-14 -14.9502 0.94913E-01 -1.0227 90 SO2,aq 0.24269E-12 -12.6149 0.24269E-12 -12.6149 0.10000E+01 0.0000 91 SO3-2 0.35849E-15 -15.4455 0.39515E-16 -16.4032 0.11023E+00 -0.9577 92 HSO3- 0.13403E-11 -11.8728 0.77409E-12 -12.1112 0.57755E+00 -0.2384 93 HSO4- 0.43531E-09 -9.3612 0.26093E-09 -9.5835 0.59941E+00 -0.2223 95 S2O3-2 0.14251E-11 -11.8462 0.13526E-12 -12.8688 0.94913E-01 -1.0227 96 HS2O3- 0.19162E-13 -13.7176 0.11067E-13 -13.9560 0.57755E+00 -0.2384 97 H2S2O3,aq 0.51840E-16 -16.2853 0.51840E-16 -16.2853 0.10000E+01 0.0000 107 ZnCl+ 0.23905E-06 -6.6215 0.14170E-06 -6.8486 0.59276E+00 -0.2271 108 ZnCl2,aq 0.32428E-07 -7.4891 0.32428E-07 -7.4891 0.10000E+01 0.0000 109 ZnCl3- 0.23503E-08 -8.6289 0.13574E-08 -8.8673 0.57755E+00 -0.2384 110 ZnO,aq 0.17913E-13 -13.7468 0.17913E-13 -13.7468 0.10000E+01 0.0000 111 ZnOH+ 0.62094E-09 -9.2070 0.36806E-09 -9.4341 0.59276E+00 -0.2271 113 HZnO2- 0.46769E-18 -18.3300 0.27011E-18 -18.5685 0.57755E+00 -0.2384 Charge balance for all species = 0.1436E-04 Component Molality Aq.molality ppm log[A(N)/A(H+)**Z] (total) 1 H+ 0.2175992E-03 0.1613272E+00 0.1553233E+03 0.0000 2 H2O 0.1000000E+01 0.5537291E+02 0.9528692E+06 0.0000 3 Cl- 0.6002846E+00 0.6613186E+00 0.2239537E+05 3.4406 4 SO4-- 0.4198201E-08 -.5495686E-04 -.5042736E+01 -1.5882 5 HCO3- 0.5310217E-03 0.1360675E+00 0.7930508E+04 0.3958 6 HS- 0.1120476E-03 0.2586230E-01 0.8170001E+03 -0.2875 7 H4SiO4 0.2825311E-02 0.2825523E-02 0.2594097E+03 -2.5489 8 Ca++ 0.2341037E-01 0.2985120E-01 0.1142779E+04 5.1229 9 Mg++ 0.7379592E-03 0.8649342E-03 0.2008622E+02 3.5973 10 Fe++ 0.1025229E-07 0.1231238E-07 0.6568048E-03 -1.2540 11 K+ 0.7911126E-01 0.7997153E-01 0.2986956E+04 2.5706 12 Na+ 0.4670289E+00 0.5204207E+00 0.1142837E+05 3.3310 13 Zn++ 0.3584109E-08 0.2780379E-06 0.1736109E-01 -1.7104 14 Cu+ 0.6762830E-12 0.7197369E-08 0.4368330E-03 -8.5086 15 Pb++ 0.4087719E-09 0.2801584E-06 0.5544558E-01 -2.6200 Component Tot moles Aq. moles Solid moles Gas moles 1 H+ 0.1632321E+00 0.1618077E+00 0.1424441E-02 0.0000000E+00 2 H2O 0.5550825E+02 0.5553784E+02 -.2958853E-01 0.0000000E+00 3 Cl- 0.6632884E+00 0.6632884E+00 0.0000000E+00 0.0000000E+00 4 SO4-- -.1473305E-02 -.5512055E-04 -.1418185E-02 0.0000000E+00 5 HCO3- 0.1393221E+00 0.1364727E+00 0.2849361E-02 0.0000000E+00 6 HS- 0.2741622E-01 0.2593933E-01 0.1476888E-02 0.0000000E+00 7 H4SiO4 0.1619053E-01 0.2833939E-02 0.1335659E-01 0.0000000E+00 8 Ca++ 0.2994012E-01 0.2994012E-01 0.0000000E+00 0.0000000E+00 9 Mg++ 0.8675104E-03 0.8675104E-03 0.0000000E+00 0.0000000E+00 10 Fe++ 0.2604518E-04 0.1234905E-07 0.2603283E-04 0.0000000E+00 11 K+ 0.8020973E-01 0.8020973E-01 0.0000000E+00 0.0000000E+00 12 Na+ 0.5219708E+00 0.5219708E+00 0.0000000E+00 0.0000000E+00 13 Zn++ 0.5000000E-05 0.2788661E-06 0.4721134E-05 0.0000000E+00 14 Cu+ 0.5000000E-06 0.7218807E-08 0.4927812E-06 0.0000000E+00 15 Pb++ 0.2000000E-05 0.2809929E-06 0.1719007E-05 0.0000000E+00 Chg. balance for solid moles: 0.3846E-18 Mass of aqueous solution: 0.105002E+04 g Temperature = 160.00 C Pressure = 500.00 bar Mixer frac. = 0.0000000 Log Log Vol Gas or mineral Moles Moles Grams Grams Wt.% (cm3) graphite 0.2849E-02 -2.545 0.3422E-01 -1.466 4.070 0.1510E-01 pyrite 0.2593E-04 -4.586 0.3112E-02 -2.507 0.3701 0.6208E-03 quartz 0.1336E-01 -1.874 0.8025 -0.096 95.45 0.3030 bornite 0.9856E-07 -7.006 0.4946E-04 -4.306 0.5883E-02 0.9730E-05 galena 0.1719E-05 -5.765 0.4113E-03 -3.386 0.4892E-01 0.5413E-04 sphalerite 0.4721E-05 -5.326 0.4600E-03 -3.337 0.5471E-01 0.1125E-03 Partial press. Fugacity coef Log fugacity Gas or Mineral Mole fraction or activity Activity coef Log activity graphite 0.1000E+01 0.1000E+01 1.0000 0.000 pyrite 0.1000E+01 0.1000E+01 1.0000 0.000 quartz 0.1000E+01 0.1000E+01 1.0000 0.000 bornite 0.1000E+01 0.1000E+01 1.0000 0.000 galena 0.1000E+01 0.1000E+01 1.0000 0.000 sphalerite 0.1000E+01 0.1000E+01 1.0000 0.000 Solid products produced: Mass = 0.840717 g Volume = 0.318944 cm3 WARNING: mineral volume may be in error because some mineral densities were not supplied in SOLTHERM. See mineral list in file Skip_Species.txt. Gas composition at saturation ( 3 iterations) ------------------------------------------------- Temperature: 160.0000 deg.C Sat. pressure: 41.9932 bar Gas Mole fraction phi Fugacity Partial P(bar) H2O,gas 0.2206E+00 0.7975 0.7387E+01 0.9262E+01 CO2,gas 0.7424E+00 0.9422 0.2937E+02 0.3118E+02 CH4,gas 0.2338E-02 1.0576 0.1038E+00 0.9817E-01 H2,gas 0.3263E-04 1.0195 0.1397E-02 0.1370E-02 H2S,gas 0.3466E-01 0.9002 0.1310E+01 0.1455E+01 S2,gas 0.1657E-11 1.0000 0.6957E-10 0.6957E-10 CO,gas 0.2173E-06 1.0000 0.9127E-05 0.9127E-05 SO3,gas 0.6542E-29 1.0000 0.2747E-27 0.2747E-27 O2,gas 0.1670E-47 1.0000 0.7014E-46 0.7014E-46 SO2,gas 0.7890E-13 1.0000 0.3313E-11 0.3313E-11 NON-Ideal mixing with H2O, CO2, CH4 Gases ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ The following gases and minerals are presently in matrix or were just added Gas or Mineral Log K Log Q Log(Q/K) Log(Q/K)/S Affinity Log Fugacity 46 graphite -2.85 -2.85 0.00 0.000 -0.17604E-11 70 pyrite -19.70 -19.70 -0.00 -0.000 0.70416E-11 73 quartz -2.53 -2.53 0.00 0.000 0.00000E+00 98 bornite -77.28 -77.28 0.00 0.000 0.00000E+00 118 galena -10.71 -10.71 -0.00 -0.000 0.35208E-11 128 sphalerite -9.80 -9.80 -0.00 -0.000 0.35208E-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 1.82 -0.01 -1.83 -1.831 0.36281E+04 0.868 2 CO2,gas -6.17 -7.40 -1.23 -0.410 0.24399E+04 1.468 3 CH4,gas 5.37 1.69 -3.68 -0.921 0.72992E+04 -0.984 4 H2,gas 7.82 2.27 -5.55 -3.174 0.11008E+05 -2.855 5 H2S,gas -5.51 -8.09 -2.58 -1.291 0.51170E+04 0.117 6 S2,gas -7.85 -20.71 -12.86 -1.978 0.25482E+05 -10.158 7 CO,gas 2.62 -5.12 -7.74 -2.381 0.15338E+05 -5.040 8 SO3,gas 13.08 -17.18 -30.26 -7.565 0.59976E+05 -27.561 9 O2,gas 44.30 -4.55 -48.85 -32.569 0.96828E+05 -46.154 10 SO2,gas -0.73 -14.91 -14.18 -3.781 0.28103E+05 -11.480 11 HCl,gas 1.69 -4.36 -6.05 -3.025 0.11993E+05 -6.051 21 aragonite 0.34 -2.28 -2.62 -0.875 0.52012E+04 23 calcite 0.20 -2.28 -2.49 -0.828 0.49255E+04 28 coesite -2.00 -2.53 -0.53 -0.176 0.10475E+04 30 cristobalite -2.18 -2.53 -0.35 -0.116 0.69046E+03 34 diamond -2.44 -2.85 -0.40 -0.114 0.79408E+03 49 halite 1.49 -1.03 -2.52 -1.262 0.50032E+04 56 magnesite -0.25 -3.81 -3.56 -1.185 0.70464E+04 71 pyrrhotite -4.63 -9.34 -4.71 -1.571 0.93386E+04 72 pyrrhotiteFe0.875 -6.10 -9.47 -3.37 -1.239 0.66752E+04 80 stishovite 2.46 -2.53 -4.99 -1.665 0.98998E+04 81 sulfur -8.60 -10.35 -1.76 -0.541 0.34842E+04 82 sylvite 1.45 -1.79 -3.24 -1.620 0.64231E+04 88 tridymite -2.22 -2.53 -0.31 -0.103 0.61522E+03 91 troilite-low -4.72 -9.34 -4.62 -1.541 0.91605E+04 100 chalcedony -2.37 -2.53 -0.16 -0.054 0.31966E+03 101 chalcocite -23.85 -25.11 -1.25 -0.314 0.24864E+04 102 covellite -17.34 -17.73 -0.39 -0.147 0.76547E+03 114 chalcopyrite -25.76 -27.07 -1.31 -0.244 0.26035E+04 125 silica-amorphous -1.78 -2.53 -0.75 -0.250 0.14836E+04 129 wurtzite -8.22 -9.80 -1.58 -0.526 0.31276E+04 Calculations done for 160.0000 Deg. C; 500.0000 bar Temperature changed by -5.000 degrees to 155.000 degrees C. Solids and gases carried ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ Test file for CHIM-XPT. Japanese Geothermal Water. Cooling only. See running notes, below. CHIMRUN demo-1 ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ Number of loops used = 8 Loop limit = 470 Temperature = 155.00 C Pressure = 500.00 bar Mixer fraction = 0.0000000 Water: Moles liquid = 0.5567E+02 kg liquid = 0.1003E+01 Moles total = 0.5551E+02 kg total = 0.1000E+01 Activity = 0.9786 Stoichiometric ionic strength = .7750354E+00 Osmotic coef. = 0.9069 True ionic strength = .6276642E+00 Chg. balance for total moles = 0.1440E-04 Max. difference allowed = 0.6633E-04 Log Log Log Species(n) Molality Molality Activity Activity Gamma Gamma 1 H+ 0.22758E-03 -3.6429 0.13281E-03 -3.8768 0.58355E+00 -0.2339 2 H2O 0.97864E+00 -0.0094 0.97864E+00 -0.0094 3 Cl- 0.60251E+00 -0.2200 0.35104E+00 -0.4546 0.58263E+00 -0.2346 4 SO4-- 0.56944E-08 -8.2446 0.57247E-09 -9.2422 0.10053E+00 -0.9977 5 HCO3- 0.54617E-03 -3.2627 0.32411E-03 -3.4893 0.59342E+00 -0.2266 6 HS- 0.10913E-03 -3.9621 0.63703E-04 -4.1958 0.58375E+00 -0.2338 7 H4SiO4 0.26393E-02 -2.5785 0.26393E-02 -2.5785 0.10000E+01 0.0000 8 Ca++ 0.23746E-01 -1.6244 0.22068E-02 -2.6562 0.92935E-01 -1.0318 9 Mg++ 0.74254E-03 -3.1293 0.65476E-04 -4.1839 0.88178E-01 -1.0546 10 Fe++ 0.76329E-08 -8.1173 0.68174E-09 -9.1664 0.89316E-01 -1.0491 11 K+ 0.79178E-01 -1.1014 0.47135E-01 -1.3267 0.59530E+00 -0.2253 12 Na+ 0.46884E+00 -0.3290 0.27269E+00 -0.5643 0.58164E+00 -0.2353 13 Zn++ 0.35404E-08 -8.4510 0.31621E-09 -9.5000 0.89316E-01 -1.0491 14 Cu+ 0.51492E-12 -12.2883 0.29930E-12 -12.5239 0.58126E+00 -0.2356 15 Pb++ 0.35123E-09 -9.4544 0.33730E-10 -10.4720 0.96036E-01 -1.0176 16 HSiO3- 0.73942E-07 -7.1311 0.43081E-07 -7.3657 0.58263E+00 -0.2346 17 Ca(HSiO3)+ 0.83587E-08 -8.0779 0.49885E-08 -8.3020 0.59680E+00 -0.2242 18 Mg(HSiO3)+ 0.24541E-09 -9.6101 0.14646E-09 -9.8343 0.59680E+00 -0.2242 19 NaHSiO3,aq 0.10472E-06 -6.9800 0.10472E-06 -6.9800 0.10000E+01 0.0000 20 CH4,aq 0.39430E-04 -4.4042 0.35520E-04 -4.4495 0.90084E+00 -0.0454 21 C2H6,aq 0.71083E-11 -11.1482 0.64035E-11 -11.1936 0.90084E+00 -0.0454 22 C3H8,aq 0.15178E-16 -16.8188 0.13673E-16 -16.8641 0.90084E+00 -0.0454 24 ethanol,aq 0.18934E-15 -15.7227 0.17057E-15 -15.7681 0.90084E+00 -0.0454 25 CO,aq 0.40783E-08 -8.3895 0.40783E-08 -8.3895 0.10000E+01 0.0000 26 CO2,aq 0.13537E+00 -0.8685 0.12195E+00 -0.9138 0.90084E+00 -0.0454 27 CO3-2 0.26568E-08 -8.5756 0.26119E-09 -9.5830 0.98309E-01 -1.0074 28 CaCO3,aq 0.23681E-07 -7.6256 0.23681E-07 -7.6256 0.10000E+01 0.0000 29 Ca(HCO3)+ 0.78906E-04 -4.1029 0.47091E-04 -4.3271 0.59680E+00 -0.2242 30 CaCl+ 0.57621E-02 -2.2394 0.34388E-02 -2.4636 0.59680E+00 -0.2242 31 CaCl2,aq 0.26432E-03 -3.5779 0.26432E-03 -3.5779 0.10000E+01 0.0000 32 CaOH+ 0.39339E-07 -7.4052 0.23477E-07 -7.6294 0.59680E+00 -0.2242 33 CaSO4,aq 0.83799E-09 -9.0768 0.83799E-09 -9.0768 0.10000E+01 0.0000 34 HCl,aq 0.17262E-04 -4.7629 0.17262E-04 -4.7629 0.10000E+01 0.0000 38 Cu+2 0.11959E-16 -16.9223 0.10905E-17 -17.9624 0.91187E-01 -1.0401 39 CuCl+ 0.74857E-17 -17.1258 0.44674E-17 -17.3499 0.59680E+00 -0.2242 40 CuCl2,aq 0.33483E-18 -18.4752 0.33483E-18 -18.4752 0.10000E+01 0.0000 43 CuCl,aq 0.49044E-09 -9.3094 0.49044E-09 -9.3094 0.10000E+01 0.0000 44 CuCl2- 0.47603E-08 -8.3224 0.27735E-08 -8.5570 0.58263E+00 -0.2346 45 CuCl3-2 0.39304E-09 -9.4056 0.38639E-10 -10.4130 0.98309E-01 -1.0074 47 CuOH+ 0.43045E-19 -19.3661 0.25689E-19 -19.5903 0.59680E+00 -0.2242 50 Fe+3 0.10371E-19 -19.9842 0.53512E-22 -22.2716 0.51598E-02 -2.2874 51 FeCl+ 0.14528E-08 -8.8378 0.86700E-09 -9.0620 0.59680E+00 -0.2242 52 FeCl2,aq 0.73380E-12 -12.1344 0.73380E-12 -12.1344 0.10000E+01 0.0000 53 FeCl+2 0.35918E-19 -19.4447 0.32753E-20 -20.4848 0.91187E-01 -1.0401 54 FeO,aq 0.16151E-15 -15.7918 0.16151E-15 -15.7918 0.10000E+01 0.0000 55 FeOH+ 0.26806E-11 -11.5718 0.15998E-11 -11.7959 0.59680E+00 -0.2242 56 HFeO2- 0.66892E-19 -19.1746 0.38973E-19 -19.4092 0.58263E+00 -0.2346 57 FeO+ 0.87146E-16 -16.0598 0.52008E-16 -16.2839 0.59680E+00 -0.2242 58 FeOH+2 0.42018E-17 -17.3766 0.38315E-18 -18.4166 0.91187E-01 -1.0401 59 FeO2- 0.27799E-19 -19.5560 0.16196E-19 -19.7906 0.58263E+00 -0.2346 60 HFeO2,aq 0.36976E-16 -16.4321 0.36976E-16 -16.4321 0.10000E+01 0.0000 61 H2,aq 0.86197E-06 -6.0645 0.77650E-06 -6.1099 0.90084E+00 -0.0454 62 KCl,aq 0.79283E-03 -3.1008 0.79283E-03 -3.1008 0.10000E+01 0.0000 63 KHSO4,aq 0.18105E-12 -12.7422 0.18105E-12 -12.7422 0.10000E+01 0.0000 64 KOH,aq 0.13589E-08 -8.8668 0.13589E-08 -8.8668 0.10000E+01 0.0000 65 KSO4- 0.14735E-08 -8.8317 0.85849E-09 -9.0663 0.58263E+00 -0.2346 66 MgCO3,aq 0.11932E-09 -9.9233 0.11932E-09 -9.9233 0.10000E+01 0.0000 67 Mg(HCO3)+ 0.23287E-05 -5.6329 0.13897E-05 -5.8571 0.59680E+00 -0.2242 68 MgCl+ 0.12005E-03 -3.9206 0.71648E-04 -4.1448 0.59680E+00 -0.2242 69 MgOH+ 0.46720E-08 -8.3305 0.27882E-08 -8.5547 0.59680E+00 -0.2242 70 NaCl,aq 0.51579E-01 -1.2875 0.51579E-01 -1.2875 0.10000E+01 0.0000 71 NaOH,aq 0.64381E-08 -8.1912 0.64381E-08 -8.1912 0.10000E+01 0.0000 73 OH- 0.50069E-07 -7.3004 0.28421E-07 -7.5464 0.56765E+00 -0.2459 76 PbCl+ 0.26433E-08 -8.5778 0.15775E-08 -8.8020 0.59680E+00 -0.2242 77 PbCl2,aq 0.52112E-08 -8.2831 0.52112E-08 -8.2831 0.10000E+01 0.0000 78 PbCl3- 0.18307E-08 -8.7374 0.10666E-08 -8.9720 0.58263E+00 -0.2346 79 PbCl4-2 0.86654E-09 -9.0622 0.85188E-10 -10.0696 0.98309E-01 -1.0074 80 PbO,aq 0.10637E-14 -14.9732 0.10637E-14 -14.9732 0.10000E+01 0.0000 82 Pb(HS)2,aq 0.24051E-06 -6.6189 0.24051E-06 -6.6189 0.10000E+01 0.0000 83 Pb(HS)3- 0.35591E-09 -9.4487 0.20737E-09 -9.6833 0.58263E+00 -0.2346 84 H2S,aq 0.25697E-01 -1.5901 0.23149E-01 -1.6355 0.90084E+00 -0.0454 85 S2-2 0.20258E-10 -10.6934 0.19915E-11 -11.7008 0.98309E-01 -1.0074 86 S3-2 0.29853E-11 -11.5250 0.29348E-12 -12.5324 0.98309E-01 -1.0074 87 S3- 0.48562E-09 -9.3137 0.28294E-09 -9.5483 0.58263E+00 -0.2346 88 S4-2 0.30489E-12 -12.5159 0.29974E-13 -13.5233 0.98309E-01 -1.0074 89 S5-2 0.21823E-13 -13.6611 0.21454E-14 -14.6685 0.98309E-01 -1.0074 90 SO2,aq 0.22281E-12 -12.6521 0.22281E-12 -12.6521 0.10000E+01 0.0000 91 SO3-2 0.38288E-15 -15.4169 0.43438E-16 -16.3621 0.11345E+00 -0.9452 92 HSO3- 0.13529E-11 -11.8687 0.78823E-12 -12.1033 0.58263E+00 -0.2346 93 HSO4- 0.54413E-09 -9.2643 0.32829E-09 -9.4837 0.60333E+00 -0.2194 95 S2O3-2 0.19266E-11 -11.7152 0.18941E-12 -12.7226 0.98309E-01 -1.0074 96 HS2O3- 0.25046E-13 -13.6013 0.14593E-13 -13.8359 0.58263E+00 -0.2346 97 H2S2O3,aq 0.66147E-16 -16.1795 0.66147E-16 -16.1795 0.10000E+01 0.0000 107 ZnCl+ 0.19764E-06 -6.7041 0.11795E-06 -6.9283 0.59680E+00 -0.2242 108 ZnCl2,aq 0.26599E-07 -7.5751 0.26599E-07 -7.5751 0.10000E+01 0.0000 109 ZnCl3- 0.19489E-08 -8.7102 0.11355E-08 -8.9448 0.58263E+00 -0.2346 110 ZnO,aq 0.11886E-13 -13.9250 0.11886E-13 -13.9250 0.10000E+01 0.0000 111 ZnOH+ 0.47367E-09 -9.3245 0.28269E-09 -9.5487 0.59680E+00 -0.2242 113 HZnO2- 0.27551E-18 -18.5599 0.16052E-18 -18.7945 0.58263E+00 -0.2346 Charge balance for all species = 0.1436E-04 Component Molality Aq.molality ppm log[A(N)/A(H+)**Z] (total) 1 H+ 0.2275847E-03 0.1613108E+00 0.1553103E+03 0.0000 2 H2O 0.1000000E+01 0.5537292E+02 0.9528866E+06 0.0000 3 Cl- 0.6025134E+00 0.6613140E+00 0.2239561E+05 3.4221 4 SO4-- 0.5694377E-08 -.3963783E-04 -.3637157E+01 -1.4887 5 HCO3- 0.5461694E-03 0.1360359E+00 0.7928809E+04 0.3875 6 HS- 0.1091275E-03 0.2584672E-01 0.8165225E+03 -0.3191 7 H4SiO4 0.2639279E-02 0.2639466E-02 0.2423323E+03 -2.5785 8 Ca++ 0.2374564E-01 0.2985099E-01 0.1142792E+04 5.0973 9 Mg++ 0.7425404E-03 0.8649281E-03 0.2008644E+02 3.5696 10 Fe++ 0.7632899E-08 0.9089073E-08 0.4848660E-03 -1.4128 11 K+ 0.7917814E-01 0.7997097E-01 0.2986989E+04 2.5501 12 Na+ 0.4688375E+00 0.5204171E+00 0.1142849E+05 3.3125 13 Zn++ 0.3540379E-08 0.2302012E-06 0.1437436E-01 -1.7465 14 Cu+ 0.5149214E-12 0.5644322E-08 0.3425795E-03 -8.6471 15 Pb++ 0.3512252E-09 0.2517722E-06 0.4982861E-01 -2.7184 Component Tot moles Aq. moles Solid moles Gas moles 1 H+ 0.1632321E+00 0.1617924E+00 0.1439729E-02 0.0000000E+00 2 H2O 0.5550825E+02 0.5553824E+02 -.2999244E-01 0.0000000E+00 3 Cl- 0.6632884E+00 0.6632884E+00 0.0000000E+00 0.0000000E+00 4 SO4-- -.1473305E-02 -.3975618E-04 -.1433549E-02 0.0000000E+00 5 HCO3- 0.1393221E+00 0.1364420E+00 0.2880092E-02 0.0000000E+00 6 HS- 0.2741622E-01 0.2592389E-01 0.1492336E-02 0.0000000E+00 7 H4SiO4 0.1619053E-01 0.2647346E-02 0.1354318E-01 0.0000000E+00 8 Ca++ 0.2994012E-01 0.2994012E-01 0.0000000E+00 0.0000000E+00 9 Mg++ 0.8675104E-03 0.8675104E-03 0.0000000E+00 0.0000000E+00 10 Fe++ 0.2604518E-04 0.9116210E-08 0.2603606E-04 0.0000000E+00 11 K+ 0.8020973E-01 0.8020973E-01 0.0000000E+00 0.0000000E+00 12 Na+ 0.5219708E+00 0.5219708E+00 0.0000000E+00 0.0000000E+00 13 Zn++ 0.5000000E-05 0.2308885E-06 0.4769112E-05 0.0000000E+00 14 Cu+ 0.5000000E-06 0.5661174E-08 0.4943388E-06 0.0000000E+00 15 Pb++ 0.2000000E-05 0.2525239E-06 0.1747476E-05 0.0000000E+00 Chg. balance for solid moles: 0.1093E-18 Mass of aqueous solution: 0.105001E+04 g Temperature = 155.00 C Pressure = 500.00 bar Mixer frac. = 0.0000000 Log Log Vol Gas or mineral Moles Moles Grams Grams Wt.% (cm3) graphite 0.2880E-02 -2.541 0.3459E-01 -1.461 4.058 0.1526E-01 pyrite 0.2594E-04 -4.586 0.3112E-02 -2.507 0.3651 0.6209E-03 quartz 0.1354E-01 -1.868 0.8137 -0.090 95.47 0.3073 bornite 0.9887E-07 -7.005 0.4961E-04 -4.304 0.5821E-02 0.9760E-05 galena 0.1747E-05 -5.758 0.4181E-03 -3.379 0.4905E-01 0.5503E-04 sphalerite 0.4769E-05 -5.322 0.4647E-03 -3.333 0.5452E-01 0.1136E-03 Partial press. Fugacity coef Log fugacity Gas or Mineral Mole fraction or activity Activity coef Log activity graphite 0.1000E+01 0.1000E+01 1.0000 0.000 pyrite 0.1000E+01 0.1000E+01 1.0000 0.000 quartz 0.1000E+01 0.1000E+01 1.0000 0.000 bornite 0.1000E+01 0.1000E+01 1.0000 0.000 galena 0.1000E+01 0.1000E+01 1.0000 0.000 sphalerite 0.1000E+01 0.1000E+01 1.0000 0.000 Solid products produced: Mass = 0.852309 g Volume = 0.323343 cm3 WARNING: mineral volume may be in error because some mineral densities were not supplied in SOLTHERM. See mineral list in file Skip_Species.txt. Gas composition at saturation ( 3 iterations) ------------------------------------------------- Temperature: 155.0000 deg.C Sat. pressure: 40.9022 bar Gas Mole fraction phi Fugacity Partial P(bar) H2O,gas 0.1991E+00 0.8017 0.6529E+01 0.8143E+01 CO2,gas 0.7636E+00 0.9399 0.2936E+02 0.3123E+02 CH4,gas 0.1806E-02 1.0533 0.7780E-01 0.7387E-01 H2,gas 0.2550E-04 1.0192 0.1063E-02 0.1043E-02 H2S,gas 0.3550E-01 0.8995 0.1306E+01 0.1452E+01 S2,gas 0.1669E-11 1.0000 0.6827E-10 0.6827E-10 CO,gas 0.1684E-06 1.0000 0.6887E-05 0.6887E-05 SO3,gas 0.4352E-29 1.0000 0.1780E-27 0.1780E-27 O2,gas 0.4761E-48 1.0000 0.1948E-46 0.1948E-46 SO2,gas 0.7217E-13 1.0000 0.2952E-11 0.2952E-11 NON-Ideal mixing with H2O, CO2, CH4 Gases ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ The following gases and minerals are presently in matrix or were just added Gas or Mineral Log K Log Q Log(Q/K) Log(Q/K)/S Affinity Log Fugacity 46 graphite -2.90 -2.90 -0.00 -0.000 0.87003E-12 70 pyrite -19.78 -19.78 0.00 0.000 -0.69603E-11 73 quartz -2.56 -2.56 -0.00 -0.000 0.87003E-12 98 bornite -78.05 -78.05 0.00 0.000 0.00000E+00 118 galena -10.79 -10.79 0.00 0.000 0.00000E+00 128 sphalerite -9.82 -9.82 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 1.87 -0.01 -1.88 -1.884 0.36913E+04 0.815 2 CO2,gas -6.13 -7.36 -1.23 -0.410 0.24123E+04 1.468 3 CH4,gas 5.36 1.55 -3.81 -0.952 0.74604E+04 -1.109 4 H2,gas 7.89 2.22 -5.67 -3.241 0.11113E+05 -2.973 5 H2S,gas -5.49 -8.07 -2.58 -1.291 0.50605E+04 0.116 6 S2,gas -7.72 -20.59 -12.86 -1.979 0.25204E+05 -10.166 7 CO,gas 2.74 -5.13 -7.86 -2.419 0.15401E+05 -5.162 8 SO3,gas 13.46 -16.99 -30.45 -7.612 0.59653E+05 -27.750 9 O2,gas 44.95 -4.46 -49.41 -32.940 0.96800E+05 -46.711 10 SO2,gas -0.53 -14.76 -14.23 -3.794 0.27876E+05 -11.530 11 HCl,gas 1.82 -4.33 -6.15 -3.075 0.12051E+05 -6.151 21 aragonite 0.41 -2.27 -2.68 -0.892 0.52408E+04 23 calcite 0.27 -2.27 -2.54 -0.845 0.49683E+04 28 coesite -2.03 -2.56 -0.53 -0.178 0.10456E+04 30 cristobalite -2.20 -2.56 -0.36 -0.119 0.69753E+03 34 diamond -2.49 -2.90 -0.40 -0.115 0.78906E+03 49 halite 1.51 -1.02 -2.53 -1.264 0.49538E+04 56 magnesite -0.17 -3.80 -3.63 -1.210 0.71108E+04 71 pyrrhotite -4.59 -9.49 -4.90 -1.633 0.95992E+04 72 pyrrhotiteFe0.875 -6.07 -9.58 -3.51 -1.291 0.68753E+04 81 sulfur -8.62 -10.29 -1.67 -0.515 0.32792E+04 82 sylvite 1.45 -1.78 -3.23 -1.617 0.63372E+04 88 tridymite -2.24 -2.56 -0.32 -0.106 0.62026E+03 91 troilite-low -4.68 -9.49 -4.81 -1.602 0.94143E+04 100 chalcedony -2.40 -2.56 -0.16 -0.054 0.31958E+03 101 chalcocite -24.13 -25.37 -1.24 -0.310 0.24265E+04 102 covellite -17.52 -17.83 -0.31 -0.120 0.61548E+03 114 chalcopyrite -25.93 -27.32 -1.39 -0.258 0.27140E+04 125 silica-amorphous -1.80 -2.56 -0.76 -0.254 0.14930E+04 129 wurtzite -8.22 -9.82 -1.60 -0.532 0.31284E+04 Calculations done for 155.0000 Deg. C; 500.0000 bar Temperature changed by -5.000 degrees to 150.000 degrees C. Solids and gases carried ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ Test file for CHIM-XPT. Japanese Geothermal Water. Cooling only. See running notes, below. CHIMRUN demo-1 ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ Number of loops used = 8 Loop limit = 470 Temperature = 150.00 C Pressure = 500.00 bar Mixer fraction = 0.0000000 Water: Moles liquid = 0.5567E+02 kg liquid = 0.1003E+01 Moles total = 0.5551E+02 kg total = 0.1000E+01 Activity = 0.9786 Stoichiometric ionic strength = .7750355E+00 Osmotic coef. = 0.9097 True ionic strength = .6301590E+00 Chg. balance for total moles = 0.1440E-04 Max. difference allowed = 0.6633E-04 Log Log Log Species(n) Molality Molality Activity Activity Gamma Gamma 1 H+ 0.23757E-03 -3.6242 0.14002E-03 -3.8538 0.58938E+00 -0.2296 2 H2O 0.97857E+00 -0.0094 0.97857E+00 -0.0094 3 Cl- 0.60467E+00 -0.2185 0.35527E+00 -0.4494 0.58755E+00 -0.2310 4 SO4-- 0.77476E-08 -8.1108 0.80545E-09 -9.0940 0.10396E+00 -0.9831 5 HCO3- 0.56138E-03 -3.2507 0.33551E-03 -3.4743 0.59766E+00 -0.2235 6 HS- 0.10612E-03 -3.9742 0.62462E-04 -4.2044 0.58859E+00 -0.2302 7 H4SiO4 0.24614E-02 -2.6088 0.24614E-02 -2.6088 0.10000E+01 0.0000 8 Ca++ 0.24064E-01 -1.6186 0.23188E-02 -2.6347 0.96359E-01 -1.0161 9 Mg++ 0.74687E-03 -3.1268 0.68502E-04 -4.1643 0.91718E-01 -1.0375 10 Fe++ 0.56305E-08 -8.2495 0.52265E-09 -9.2818 0.92825E-01 -1.0323 11 K+ 0.79241E-01 -1.1011 0.47483E-01 -1.3235 0.59922E+00 -0.2224 12 Na+ 0.47060E+00 -0.3273 0.27592E+00 -0.5592 0.58632E+00 -0.2319 13 Zn++ 0.34827E-08 -8.4581 0.32328E-09 -9.4904 0.92825E-01 -1.0323 14 Cu+ 0.38883E-12 -12.4102 0.22784E-12 -12.6424 0.58596E+00 -0.2321 15 Pb++ 0.29935E-09 -9.5238 0.29756E-10 -10.5264 0.99403E-01 -1.0026 16 HSiO3- 0.63879E-07 -7.1946 0.37532E-07 -7.4256 0.58755E+00 -0.2310 17 Ca(HSiO3)+ 0.69190E-08 -8.1600 0.41559E-08 -8.3813 0.60064E+00 -0.2214 18 Mg(HSiO3)+ 0.20629E-09 -9.6855 0.12391E-09 -9.9069 0.60064E+00 -0.2214 19 NaHSiO3,aq 0.94882E-07 -7.0228 0.94882E-07 -7.0228 0.10000E+01 0.0000 20 CH4,aq 0.28314E-04 -4.5480 0.25520E-04 -4.5931 0.90130E+00 -0.0451 21 C2H6,aq 0.39486E-11 -11.4036 0.35589E-11 -11.4487 0.90130E+00 -0.0451 22 C3H8,aq 0.68531E-17 -17.1641 0.61767E-17 -17.2092 0.90130E+00 -0.0451 24 ethanol,aq 0.10390E-15 -15.9834 0.93642E-16 -16.0285 0.90130E+00 -0.0451 25 CO,aq 0.29118E-08 -8.5358 0.29118E-08 -8.5358 0.10000E+01 0.0000 26 CO2,aq 0.13534E+00 -0.8686 0.12199E+00 -0.9137 0.90130E+00 -0.0451 27 CO3-2 0.26294E-08 -8.5801 0.26762E-09 -9.5725 0.10178E+00 -0.9923 28 CaCO3,aq 0.22376E-07 -7.6502 0.22376E-07 -7.6502 0.10000E+01 0.0000 29 Ca(HCO3)+ 0.76799E-04 -4.1146 0.46129E-04 -4.3360 0.60064E+00 -0.2214 30 CaCl+ 0.54602E-02 -2.2628 0.32796E-02 -2.4842 0.60064E+00 -0.2214 31 CaCl2,aq 0.24968E-03 -3.6026 0.24968E-03 -3.6026 0.10000E+01 0.0000 32 CaOH+ 0.30412E-07 -7.5170 0.18267E-07 -7.7383 0.60064E+00 -0.2214 33 CaSO4,aq 0.11332E-08 -8.9457 0.11332E-08 -8.9457 0.10000E+01 0.0000 34 HCl,aq 0.17368E-04 -4.7602 0.17368E-04 -4.7602 0.10000E+01 0.0000 38 Cu+2 0.11053E-16 -16.9565 0.10462E-17 -17.9804 0.94649E-01 -1.0239 39 CuCl+ 0.65849E-17 -17.1815 0.39552E-17 -17.4028 0.60064E+00 -0.2214 40 CuCl2,aq 0.27844E-18 -18.5553 0.27844E-18 -18.5553 0.10000E+01 0.0000 43 CuCl,aq 0.38036E-09 -9.4198 0.38036E-09 -9.4198 0.10000E+01 0.0000 44 CuCl2- 0.37043E-08 -8.4313 0.21765E-08 -8.6622 0.58755E+00 -0.2310 45 CuCl3-2 0.31093E-09 -9.5073 0.31646E-10 -10.4997 0.10178E+00 -0.9923 47 CuOH+ 0.33681E-19 -19.4726 0.20230E-19 -19.6940 0.60064E+00 -0.2214 51 FeCl+ 0.10190E-08 -8.9918 0.61203E-09 -9.2132 0.60064E+00 -0.2214 52 FeCl2,aq 0.36003E-12 -12.4437 0.36003E-12 -12.4437 0.10000E+01 0.0000 53 FeCl+2 0.26220E-19 -19.5814 0.24817E-20 -20.6053 0.94649E-01 -1.0239 54 FeO,aq 0.77342E-16 -16.1116 0.77342E-16 -16.1116 0.10000E+01 0.0000 55 FeOH+ 0.16330E-11 -11.7870 0.98086E-12 -12.0084 0.60064E+00 -0.2214 56 HFeO2- 0.28234E-19 -19.5492 0.16589E-19 -19.7802 0.58755E+00 -0.2310 57 FeO+ 0.52092E-16 -16.2832 0.31289E-16 -16.5046 0.60064E+00 -0.2214 58 FeOH+2 0.27635E-17 -17.5585 0.26157E-18 -18.5824 0.94649E-01 -1.0239 59 FeO2- 0.11234E-19 -19.9494 0.66008E-20 -20.1804 0.58755E+00 -0.2310 60 HFeO2,aq 0.18484E-16 -16.7332 0.18484E-16 -16.7332 0.10000E+01 0.0000 61 H2,aq 0.62743E-06 -6.2024 0.56551E-06 -6.2476 0.90130E+00 -0.0451 62 KCl,aq 0.72962E-03 -3.1369 0.72962E-03 -3.1369 0.10000E+01 0.0000 63 KHSO4,aq 0.20034E-12 -12.6982 0.20034E-12 -12.6982 0.10000E+01 0.0000 64 KOH,aq 0.11141E-08 -8.9531 0.11141E-08 -8.9531 0.10000E+01 0.0000 65 KSO4- 0.19210E-08 -8.7165 0.11287E-08 -8.9474 0.58755E+00 -0.2310 66 MgCO3,aq 0.11567E-09 -9.9368 0.11567E-09 -9.9368 0.10000E+01 0.0000 67 Mg(HCO3)+ 0.22636E-05 -5.6452 0.13596E-05 -5.8666 0.60064E+00 -0.2214 68 MgCl+ 0.11578E-03 -3.9364 0.69545E-04 -4.1577 0.60064E+00 -0.2214 69 MgOH+ 0.36769E-08 -8.4345 0.22085E-08 -8.6559 0.60064E+00 -0.2214 70 NaCl,aq 0.49814E-01 -1.3027 0.49814E-01 -1.3027 0.10000E+01 0.0000 71 NaOH,aq 0.53974E-08 -8.2678 0.53974E-08 -8.2678 0.10000E+01 0.0000 73 OH- 0.42028E-07 -7.3765 0.24121E-07 -7.6176 0.57393E+00 -0.2411 76 PbCl+ 0.21504E-08 -8.6675 0.12916E-08 -8.8889 0.60064E+00 -0.2214 77 PbCl2,aq 0.40898E-08 -8.3883 0.40898E-08 -8.3883 0.10000E+01 0.0000 78 PbCl3- 0.14068E-08 -8.8518 0.82655E-09 -9.0827 0.58755E+00 -0.2310 79 PbCl4-2 0.66401E-09 -9.1778 0.67582E-10 -10.1702 0.10178E+00 -0.9923 80 PbO,aq 0.64981E-15 -15.1872 0.64981E-15 -15.1872 0.10000E+01 0.0000 82 Pb(HS)2,aq 0.21667E-06 -6.6642 0.21667E-06 -6.6642 0.10000E+01 0.0000 83 Pb(HS)3- 0.30435E-09 -9.5166 0.17882E-09 -9.7476 0.58755E+00 -0.2310 84 H2S,aq 0.25700E-01 -1.5901 0.23164E-01 -1.6352 0.90130E+00 -0.0451 85 S2-2 0.20190E-10 -10.6949 0.20549E-11 -11.6872 0.10178E+00 -0.9923 86 S3-2 0.36771E-11 -11.4345 0.37425E-12 -12.4268 0.10178E+00 -0.9923 87 S3- 0.59305E-09 -9.2269 0.34845E-09 -9.4579 0.58755E+00 -0.2310 88 S4-2 0.46225E-12 -12.3351 0.47047E-13 -13.3275 0.10178E+00 -0.9923 89 S5-2 0.40574E-13 -13.3918 0.41295E-14 -14.3841 0.10178E+00 -0.9923 90 SO2,aq 0.20355E-12 -12.6913 0.20355E-12 -12.6913 0.10000E+01 0.0000 91 SO3-2 0.40811E-15 -15.3892 0.47631E-16 -16.3221 0.11671E+00 -0.9329 92 HSO3- 0.13616E-11 -11.8660 0.79998E-12 -12.0969 0.58755E+00 -0.2310 93 HSO4- 0.68078E-09 -9.1670 0.41327E-09 -9.3838 0.60705E+00 -0.2168 95 S2O3-2 0.26098E-11 -11.5834 0.26562E-12 -12.5757 0.10178E+00 -0.9923 96 HS2O3- 0.32765E-13 -13.4846 0.19251E-13 -13.7156 0.58755E+00 -0.2310 97 H2S2O3,aq 0.84264E-16 -16.0744 0.84264E-16 -16.0744 0.10000E+01 0.0000 107 ZnCl+ 0.16238E-06 -6.7895 0.97531E-07 -7.0109 0.60064E+00 -0.2214 108 ZnCl2,aq 0.21712E-07 -7.6633 0.21712E-07 -7.6633 0.10000E+01 0.0000 109 ZnCl3- 0.16115E-08 -8.7928 0.94682E-09 -9.0237 0.58755E+00 -0.2310 110 ZnO,aq 0.78124E-14 -14.1072 0.78124E-14 -14.1072 0.10000E+01 0.0000 111 ZnOH+ 0.35839E-09 -9.4456 0.21527E-09 -9.6670 0.60064E+00 -0.2214 113 HZnO2- 0.16075E-18 -18.7939 0.94446E-19 -19.0248 0.58755E+00 -0.2310 Charge balance for all species = 0.1436E-04 Component Molality Aq.molality ppm log[A(N)/A(H+)**Z] (total) 1 H+ 0.2375716E-03 0.1612986E+00 0.1553013E+03 0.0000 2 H2O 0.1000000E+01 0.5537294E+02 0.9529031E+06 0.0000 3 Cl- 0.6046732E+00 0.6613096E+00 0.2239585E+05 3.4044 4 SO4-- 0.7747629E-08 -.2846009E-04 -.2611534E+01 -1.3863 5 HCO3- 0.5613823E-03 0.1360126E+00 0.7927589E+04 0.3795 6 HS- 0.1061219E-03 0.2583530E-01 0.8161757E+03 -0.3506 7 H4SiO4 0.2461424E-02 0.2461590E-02 0.2260052E+03 -2.6088 8 Ca++ 0.2406404E-01 0.2985080E-01 0.1142804E+04 5.0729 9 Mg++ 0.7468706E-03 0.8649224E-03 0.2008665E+02 3.5433 10 Fe++ 0.5630475E-08 0.6651425E-08 0.3548332E-03 -1.5742 11 K+ 0.7924082E-01 0.7997044E-01 0.2987020E+04 2.5303 12 Na+ 0.4705997E+00 0.5204136E+00 0.1142861E+05 3.2946 13 Zn++ 0.3482689E-08 0.1895422E-06 0.1183570E-01 -1.7828 14 Cu+ 0.3888278E-12 0.4396010E-08 0.2668183E-03 -8.7886 15 Pb++ 0.2993499E-09 0.2255895E-06 0.4464752E-01 -2.8188 Component Tot moles Aq. moles Solid moles Gas moles 1 H+ 0.1632321E+00 0.1617812E+00 0.1450874E-02 0.0000000E+00 2 H2O 0.5550825E+02 0.5553862E+02 -.3037165E-01 0.0000000E+00 3 Cl- 0.6632884E+00 0.6632884E+00 0.0000000E+00 0.0000000E+00 4 SO4-- -.1473305E-02 -.2854525E-04 -.1444760E-02 0.0000000E+00 5 HCO3- 0.1393221E+00 0.1364196E+00 0.2902515E-02 0.0000000E+00 6 HS- 0.2741622E-01 0.2591260E-01 0.1503619E-02 0.0000000E+00 7 H4SiO4 0.1619053E-01 0.2468955E-02 0.1372157E-01 0.0000000E+00 8 Ca++ 0.2994012E-01 0.2994012E-01 0.0000000E+00 0.0000000E+00 9 Mg++ 0.8675104E-03 0.8675104E-03 0.0000000E+00 0.0000000E+00 10 Fe++ 0.2604518E-04 0.6671328E-08 0.2603851E-04 0.0000000E+00 11 K+ 0.8020973E-01 0.8020973E-01 0.0000000E+00 0.0000000E+00 12 Na+ 0.5219708E+00 0.5219708E+00 0.0000000E+00 0.0000000E+00 13 Zn++ 0.5000000E-05 0.1901093E-06 0.4809891E-05 0.0000000E+00 14 Cu+ 0.5000000E-06 0.4409164E-08 0.4955908E-06 0.0000000E+00 15 Pb++ 0.2000000E-05 0.2262645E-06 0.1773735E-05 0.0000000E+00 Chg. balance for solid moles: -.1609E-18 Mass of aqueous solution: 0.105000E+04 g Temperature = 150.00 C Pressure = 500.00 bar Mixer frac. = 0.0000000 Log Log Vol Gas or mineral Moles Moles Grams Grams Wt.% (cm3) graphite 0.2903E-02 -2.537 0.3486E-01 -1.458 4.038 0.1538E-01 pyrite 0.2594E-04 -4.586 0.3112E-02 -2.507 0.3605 0.6210E-03 quartz 0.1372E-01 -1.863 0.8244 -0.084 95.49 0.3113 bornite 0.9912E-07 -7.004 0.4974E-04 -4.303 0.5761E-02 0.9785E-05 galena 0.1774E-05 -5.751 0.4244E-03 -3.372 0.4916E-01 0.5585E-04 sphalerite 0.4810E-05 -5.318 0.4686E-03 -3.329 0.5428E-01 0.1146E-03 Partial press. Fugacity coef Log fugacity Gas or Mineral Mole fraction or activity Activity coef Log activity graphite 0.1000E+01 0.1000E+01 1.0000 0.000 pyrite 0.1000E+01 0.1000E+01 1.0000 0.000 quartz 0.1000E+01 0.1000E+01 1.0000 0.000 bornite 0.1000E+01 0.1000E+01 1.0000 0.000 galena 0.1000E+01 0.1000E+01 1.0000 0.000 sphalerite 0.1000E+01 0.1000E+01 1.0000 0.000 Solid products produced: Mass = 0.863306 g Volume = 0.327511 cm3 WARNING: mineral volume may be in error because some mineral densities were not supplied in SOLTHERM. See mineral list in file Skip_Species.txt. Gas composition at saturation ( 3 iterations) ------------------------------------------------- Temperature: 150.0000 deg.C Sat. pressure: 39.8426 bar Gas Mole fraction phi Fugacity Partial P(bar) H2O,gas 0.1791E+00 0.8058 0.5749E+01 0.7134E+01 CO2,gas 0.7832E+00 0.9377 0.2926E+02 0.3121E+02 CH4,gas 0.1386E-02 1.0494 0.5793E-01 0.5520E-01 H2,gas 0.1981E-04 1.0189 0.8043E-03 0.7894E-03 H2S,gas 0.3629E-01 0.8987 0.1300E+01 0.1446E+01 S2,gas 0.1673E-11 1.0000 0.6664E-10 0.6664E-10 CO,gas 0.1294E-06 1.0000 0.5154E-05 0.5154E-05 SO3,gas 0.2848E-29 1.0000 0.1135E-27 0.1135E-27 O2,gas 0.1312E-48 1.0000 0.5228E-47 0.5228E-47 SO2,gas 0.6551E-13 1.0000 0.2610E-11 0.2610E-11 NON-Ideal mixing with H2O, CO2, CH4 Gases ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ The following gases and minerals are presently in matrix or were just added Gas or Mineral Log K Log Q Log(Q/K) Log(Q/K)/S Affinity Log Fugacity 46 graphite -2.95 -2.95 -0.00 -0.000 0.17197E-11 70 pyrite -19.87 -19.87 0.00 0.000 -0.68790E-11 73 quartz -2.59 -2.59 0.00 0.000 0.00000E+00 98 bornite -78.84 -78.84 0.00 0.000 0.00000E+00 118 galena -10.88 -10.88 0.00 0.000 -0.34395E-11 128 sphalerite -9.84 -9.84 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 1.93 -0.01 -1.94 -1.939 0.37551E+04 0.760 2 CO2,gas -6.09 -7.32 -1.23 -0.411 0.23868E+04 1.466 3 CH4,gas 5.34 1.41 -3.94 -0.984 0.76213E+04 -1.237 4 H2,gas 7.97 2.18 -5.79 -3.311 0.11218E+05 -3.095 5 H2S,gas -5.47 -8.06 -2.59 -1.293 0.50056E+04 0.114 6 S2,gas -7.59 -20.47 -12.88 -1.981 0.24930E+05 -10.176 7 CO,gas 2.85 -5.13 -7.99 -2.457 0.15465E+05 -5.288 8 SO3,gas 13.85 -16.79 -30.64 -7.661 0.59335E+05 -27.945 9 O2,gas 45.61 -4.37 -49.98 -33.320 0.96776E+05 -47.282 10 SO2,gas -0.32 -14.61 -14.28 -3.809 0.27654E+05 -11.583 11 HCl,gas 1.95 -4.30 -6.25 -3.127 0.12110E+05 -6.254 21 aragonite 0.47 -2.26 -2.73 -0.909 0.52787E+04 23 calcite 0.33 -2.26 -2.59 -0.862 0.50095E+04 28 coesite -2.05 -2.59 -0.54 -0.180 0.10436E+04 30 cristobalite -2.23 -2.59 -0.36 -0.121 0.70480E+03 34 diamond -2.54 -2.95 -0.41 -0.116 0.78419E+03 49 halite 1.52 -1.01 -2.53 -1.266 0.49039E+04 56 magnesite -0.08 -3.78 -3.70 -1.235 0.71734E+04 72 pyrrhotiteFe0.875 -6.05 -9.71 -3.65 -1.344 0.70741E+04 81 sulfur -8.65 -10.23 -1.59 -0.489 0.30760E+04 82 sylvite 1.46 -1.77 -3.23 -1.614 0.62501E+04 88 tridymite -2.27 -2.59 -0.32 -0.108 0.62541E+03 91 troilite-low -4.64 -9.63 -4.99 -1.664 0.96665E+04 100 chalcedony -2.42 -2.59 -0.17 -0.055 0.31948E+03 101 chalcocite -24.41 -25.64 -1.22 -0.306 0.23667E+04 102 covellite -17.69 -17.93 -0.24 -0.092 0.46660E+03 114 chalcopyrite -26.11 -27.57 -1.46 -0.271 0.28237E+04 125 silica-amorphous -1.81 -2.59 -0.78 -0.259 0.15025E+04 129 wurtzite -8.22 -9.84 -1.62 -0.539 0.31290E+04 Calculations done for 150.0000 Deg. C; 500.0000 bar Temperature changed by -5.000 degrees to 145.000 degrees C. Solids and gases carried ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ Test file for CHIM-XPT. Japanese Geothermal Water. Cooling only. See running notes, below. CHIMRUN demo-1 ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ Number of loops used = 8 Loop limit = 470 Temperature = 145.00 C Pressure = 500.00 bar Mixer fraction = 0.0000000 Water: Moles liquid = 0.5567E+02 kg liquid = 0.1003E+01 Moles total = 0.5551E+02 kg total = 0.1000E+01 Activity = 0.9785 Stoichiometric ionic strength = .7750345E+00 Osmotic coef. = 0.9124 True ionic strength = .6326626E+00 Chg. balance for total moles = 0.1440E-04 Max. difference allowed = 0.6633E-04 Log Log Log Species(n) Molality Molality Activity Activity Gamma Gamma 1 H+ 0.24790E-03 -3.6057 0.14757E-03 -3.8310 0.59526E+00 -0.2253 2 H2O 0.97851E+00 -0.0094 0.97851E+00 -0.0094 3 Cl- 0.60685E+00 -0.2169 0.35908E+00 -0.4448 0.59171E+00 -0.2279 4 SO4-- 0.10567E-07 -7.9760 0.11344E-08 -8.9452 0.10735E+00 -0.9692 5 HCO3- 0.57696E-03 -3.2389 0.34681E-03 -3.4599 0.60110E+00 -0.2211 6 HS- 0.10314E-03 -3.9866 0.61126E-04 -4.2138 0.59267E+00 -0.2272 7 H4SiO4 0.22930E-02 -2.6396 0.22930E-02 -2.6396 0.10000E+01 0.0000 8 Ca++ 0.24371E-01 -1.6131 0.24313E-02 -2.6142 0.99761E-01 -1.0010 9 Mg++ 0.75106E-03 -3.1243 0.71548E-04 -4.1454 0.95263E-01 -1.0211 10 Fe++ 0.41359E-08 -8.3834 0.39841E-09 -9.3997 0.96331E-01 -1.0162 11 K+ 0.79300E-01 -1.1007 0.47766E-01 -1.3209 0.60234E+00 -0.2202 12 Na+ 0.47240E+00 -0.3257 0.27883E+00 -0.5547 0.59024E+00 -0.2290 13 Zn++ 0.34258E-08 -8.4652 0.33001E-09 -9.4815 0.96331E-01 -1.0162 14 Cu+ 0.29261E-12 -12.5337 0.17261E-12 -12.7629 0.58990E+00 -0.2292 15 Pb++ 0.25446E-09 -9.5944 0.26141E-10 -10.5827 0.10273E+00 -0.9883 16 HSiO3- 0.55094E-07 -7.2589 0.32600E-07 -7.4868 0.59171E+00 -0.2279 17 Ca(HSiO3)+ 0.57101E-08 -8.2434 0.34471E-08 -8.4625 0.60368E+00 -0.2192 18 Mg(HSiO3)+ 0.17303E-09 -9.7619 0.10446E-09 -9.9811 0.60368E+00 -0.2192 19 NaHSiO3,aq 0.85765E-07 -7.0667 0.85765E-07 -7.0667 0.10000E+01 0.0000 20 CH4,aq 0.20261E-04 -4.6933 0.18273E-04 -4.7382 0.90188E+00 -0.0449 21 C2H6,aq 0.21768E-11 -11.6622 0.19632E-11 -11.7070 0.90188E+00 -0.0449 22 C3H8,aq 0.30614E-17 -17.5141 0.27610E-17 -17.5589 0.90188E+00 -0.0449 24 ethanol,aq 0.56518E-16 -16.2478 0.50973E-16 -16.2927 0.90188E+00 -0.0449 25 CO,aq 0.20687E-08 -8.6843 0.20687E-08 -8.6843 0.10000E+01 0.0000 26 CO2,aq 0.13532E+00 -0.8686 0.12204E+00 -0.9135 0.90188E+00 -0.0449 27 CO3-2 0.25994E-08 -8.5851 0.27349E-09 -9.5631 0.10521E+00 -0.9779 28 CaCO3,aq 0.21078E-07 -7.6762 0.21078E-07 -7.6762 0.10000E+01 0.0000 29 Ca(HCO3)+ 0.74659E-04 -4.1269 0.45071E-04 -4.3461 0.60368E+00 -0.2192 30 CaCl+ 0.51692E-02 -2.2866 0.31206E-02 -2.5058 0.60368E+00 -0.2192 31 CaCl2,aq 0.23543E-03 -3.6281 0.23543E-03 -3.6281 0.10000E+01 0.0000 32 CaOH+ 0.23430E-07 -7.6302 0.14144E-07 -7.8494 0.60368E+00 -0.2192 33 CaSO4,aq 0.15347E-08 -8.8140 0.15347E-08 -8.8140 0.10000E+01 0.0000 34 HCl,aq 0.17478E-04 -4.7575 0.17478E-04 -4.7575 0.10000E+01 0.0000 38 Cu+2 0.10198E-16 -16.9915 0.10004E-17 -17.9998 0.98098E-01 -1.0083 39 CuCl+ 0.57822E-17 -17.2379 0.34906E-17 -17.4571 0.60368E+00 -0.2192 40 CuCl2,aq 0.23081E-18 -18.6367 0.23081E-18 -18.6367 0.10000E+01 0.0000 43 CuCl,aq 0.29359E-09 -9.5323 0.29359E-09 -9.5323 0.10000E+01 0.0000 44 CuCl2- 0.28712E-08 -8.5419 0.16989E-08 -8.7698 0.59171E+00 -0.2279 45 CuCl3-2 0.24476E-09 -9.6113 0.25752E-10 -10.5892 0.10521E+00 -0.9779 47 CuOH+ 0.26266E-19 -19.5806 0.15856E-19 -19.7998 0.60368E+00 -0.2192 51 FeCl+ 0.71154E-09 -9.1478 0.42954E-09 -9.3670 0.60368E+00 -0.2192 52 FeCl2,aq 0.17486E-12 -12.7573 0.17486E-12 -12.7573 0.10000E+01 0.0000 53 FeCl+2 0.19038E-19 -19.7204 0.18676E-20 -20.7287 0.98098E-01 -1.0083 54 FeO,aq 0.36705E-16 -16.4353 0.36705E-16 -16.4353 0.10000E+01 0.0000 55 FeOH+ 0.98869E-12 -12.0049 0.59686E-12 -12.2241 0.60368E+00 -0.2192 56 HFeO2- 0.11799E-19 -19.9282 0.69814E-20 -20.1561 0.59171E+00 -0.2279 57 FeO+ 0.30925E-16 -16.5097 0.18669E-16 -16.7289 0.60368E+00 -0.2192 58 FeOH+2 0.18062E-17 -17.7432 0.17718E-18 -18.7516 0.98098E-01 -1.0083 60 HFeO2,aq 0.91389E-17 -17.0391 0.91389E-17 -17.0391 0.10000E+01 0.0000 61 H2,aq 0.45499E-06 -6.3420 0.41034E-06 -6.3869 0.90188E+00 -0.0449 62 KCl,aq 0.66962E-03 -3.1742 0.66962E-03 -3.1742 0.10000E+01 0.0000 63 KHSO4,aq 0.22138E-12 -12.6549 0.22138E-12 -12.6549 0.10000E+01 0.0000 64 KOH,aq 0.90943E-09 -9.0412 0.90943E-09 -9.0412 0.10000E+01 0.0000 65 KSO4- 0.25086E-08 -8.6006 0.14844E-08 -8.8285 0.59171E+00 -0.2279 66 MgCO3,aq 0.11189E-09 -9.9512 0.11189E-09 -9.9512 0.10000E+01 0.0000 67 Mg(HCO3)+ 0.22001E-05 -5.6576 0.13282E-05 -5.8767 0.60368E+00 -0.2192 68 MgCl+ 0.11165E-03 -3.9521 0.67402E-04 -4.1713 0.60368E+00 -0.2192 69 MgOH+ 0.28859E-08 -8.5397 0.17422E-08 -8.7589 0.60368E+00 -0.2192 70 NaCl,aq 0.48014E-01 -1.3186 0.48014E-01 -1.3186 0.10000E+01 0.0000 71 NaOH,aq 0.45085E-08 -8.3460 0.45085E-08 -8.3460 0.10000E+01 0.0000 73 OH- 0.35213E-07 -7.4533 0.20407E-07 -7.6902 0.57953E+00 -0.2369 76 PbCl+ 0.17443E-08 -8.7584 0.10530E-08 -8.9776 0.60368E+00 -0.2192 77 PbCl2,aq 0.31959E-08 -8.4954 0.31959E-08 -8.4954 0.10000E+01 0.0000 78 PbCl3- 0.10769E-08 -8.9678 0.63724E-09 -9.1957 0.59171E+00 -0.2279 79 PbCl4-2 0.50617E-09 -9.2957 0.53257E-10 -10.2736 0.10521E+00 -0.9779 80 PbO,aq 0.39405E-15 -15.4044 0.39405E-15 -15.4044 0.10000E+01 0.0000 82 Pb(HS)2,aq 0.19487E-06 -6.7103 0.19487E-06 -6.7103 0.10000E+01 0.0000 83 Pb(HS)3- 0.25978E-09 -9.5854 0.15372E-09 -9.8133 0.59171E+00 -0.2279 84 H2S,aq 0.25703E-01 -1.5900 0.23181E-01 -1.6349 0.90188E+00 -0.0449 85 S2-2 0.20089E-10 -10.6971 0.21136E-11 -11.6750 0.10521E+00 -0.9779 86 S3-2 0.45342E-11 -11.3435 0.47706E-12 -12.3214 0.10521E+00 -0.9779 87 S3- 0.72640E-09 -9.1388 0.42982E-09 -9.3667 0.59171E+00 -0.2279 88 S4-2 0.70302E-12 -12.1530 0.73967E-13 -13.1310 0.10521E+00 -0.9779 89 S5-2 0.75884E-13 -13.1198 0.79841E-14 -14.0978 0.10521E+00 -0.9779 90 SO2,aq 0.18557E-12 -12.7315 0.18557E-12 -12.7315 0.10000E+01 0.0000 91 SO3-2 0.43451E-15 -15.3620 0.52087E-16 -16.2833 0.11988E+00 -0.9213 92 HSO3- 0.13698E-11 -11.8633 0.81051E-12 -12.0912 0.59171E+00 -0.2279 93 HSO4- 0.85302E-09 -9.0690 0.52031E-09 -9.2837 0.60995E+00 -0.2147 95 S2O3-2 0.35416E-11 -11.4508 0.37263E-12 -12.4287 0.10521E+00 -0.9779 96 HS2O3- 0.42953E-13 -13.3670 0.25416E-13 -13.5949 0.59171E+00 -0.2279 97 H2S2O3,aq 0.10740E-15 -15.9690 0.10740E-15 -15.9690 0.10000E+01 0.0000 107 ZnCl+ 0.13313E-06 -6.8757 0.80367E-07 -7.0949 0.60368E+00 -0.2192 108 ZnCl2,aq 0.17663E-07 -7.7529 0.17663E-07 -7.7529 0.10000E+01 0.0000 109 ZnCl3- 0.13301E-08 -8.8761 0.78701E-09 -9.1040 0.59171E+00 -0.2279 110 ZnO,aq 0.51078E-14 -14.2918 0.51078E-14 -14.2918 0.10000E+01 0.0000 111 ZnOH+ 0.27040E-09 -9.5680 0.16324E-09 -9.7872 0.60368E+00 -0.2192 113 HZnO2- 0.93235E-19 -19.0304 0.55168E-19 -19.2583 0.59171E+00 -0.2279 Charge balance for all species = 0.1436E-04 Component Molality Aq.molality ppm log[A(N)/A(H+)**Z] (total) 1 H+ 0.2479016E-03 0.1612896E+00 0.1552951E+03 0.0000 2 H2O 0.1000000E+01 0.5537295E+02 0.9529186E+06 0.0000 3 Cl- 0.6068528E+00 0.6613056E+00 0.2239607E+05 3.3862 4 SO4-- 0.1056740E-07 -.2035950E-04 -.1868244E+01 -1.2832 5 HCO3- 0.5769612E-03 0.1359956E+00 0.7926723E+04 0.3711 6 HS- 0.1031372E-03 0.2582698E-01 0.8159259E+03 -0.3828 7 H4SiO4 0.2293031E-02 0.2293178E-02 0.2105462E+03 -2.6396 8 Ca++ 0.2437127E-01 0.2985062E-01 0.1142815E+04 5.0479 9 Mg++ 0.7510628E-03 0.8649171E-03 0.2008685E+02 3.5166 10 Fe++ 0.4135903E-08 0.4848603E-08 0.2586623E-03 -1.7376 11 K+ 0.7930033E-01 0.7996996E-01 0.2987050E+04 2.5101 12 Na+ 0.4723966E+00 0.5204104E+00 0.1142873E+05 3.2763 13 Zn++ 0.3425767E-08 0.1558161E-06 0.9729880E-02 -1.8195 14 Cu+ 0.2926112E-12 0.3409877E-08 0.2069677E-03 -8.9319 15 Pb++ 0.2544559E-09 0.2019028E-06 0.3996022E-01 -2.9207 Component Tot moles Aq. moles Solid moles Gas moles 1 H+ 0.1632321E+00 0.1617732E+00 0.1458941E-02 0.0000000E+00 2 H2O 0.5550825E+02 0.5553898E+02 -.3072571E-01 0.0000000E+00 3 Cl- 0.6632884E+00 0.6632884E+00 0.0000000E+00 0.0000000E+00 4 SO4-- -.1473305E-02 -.2042055E-04 -.1452885E-02 0.0000000E+00 5 HCO3- 0.1393221E+00 0.1364033E+00 0.2918765E-02 0.0000000E+00 6 HS- 0.2741622E-01 0.2590442E-01 0.1511805E-02 0.0000000E+00 7 H4SiO4 0.1619053E-01 0.2300054E-02 0.1389048E-01 0.0000000E+00 8 Ca++ 0.2994012E-01 0.2994012E-01 0.0000000E+00 0.0000000E+00 9 Mg++ 0.8675104E-03 0.8675104E-03 0.0000000E+00 0.0000000E+00 10 Fe++ 0.2604518E-04 0.4863141E-08 0.2604031E-04 0.0000000E+00 11 K+ 0.8020973E-01 0.8020973E-01 0.0000000E+00 0.0000000E+00 12 Na+ 0.5219708E+00 0.5219708E+00 0.0000000E+00 0.0000000E+00 13 Zn++ 0.5000000E-05 0.1562833E-06 0.4843717E-05 0.0000000E+00 14 Cu+ 0.5000000E-06 0.3420101E-08 0.4965799E-06 0.0000000E+00 15 Pb++ 0.2000000E-05 0.2025082E-06 0.1797492E-05 0.0000000E+00 Chg. balance for solid moles: -.1961E-18 Mass of aqueous solution: 0.104999E+04 g Temperature = 145.00 C Pressure = 500.00 bar Mixer frac. = 0.0000000 Log Log Vol Gas or mineral Moles Moles Grams Grams Wt.% (cm3) graphite 0.2919E-02 -2.535 0.3505E-01 -1.455 4.012 0.1547E-01 pyrite 0.2594E-04 -4.586 0.3112E-02 -2.507 0.3562 0.6210E-03 quartz 0.1389E-01 -1.857 0.8345 -0.079 95.52 0.3152 bornite 0.9932E-07 -7.003 0.4984E-04 -4.302 0.5704E-02 0.9805E-05 galena 0.1797E-05 -5.745 0.4300E-03 -3.366 0.4922E-01 0.5660E-04 sphalerite 0.4844E-05 -5.315 0.4719E-03 -3.326 0.5402E-01 0.1154E-03 Partial press. Fugacity coef Log fugacity Gas or Mineral Mole fraction or activity Activity coef Log activity graphite 0.1000E+01 0.1000E+01 1.0000 0.000 pyrite 0.1000E+01 0.1000E+01 1.0000 0.000 quartz 0.1000E+01 0.1000E+01 1.0000 0.000 bornite 0.1000E+01 0.1000E+01 1.0000 0.000 galena 0.1000E+01 0.1000E+01 1.0000 0.000 sphalerite 0.1000E+01 0.1000E+01 1.0000 0.000 Solid products produced: Mass = 0.873658 g Volume = 0.331431 cm3 WARNING: mineral volume may be in error because some mineral densities were not supplied in SOLTHERM. See mineral list in file Skip_Species.txt. Gas composition at saturation ( 3 iterations) ------------------------------------------------- Temperature: 145.0000 deg.C Sat. pressure: 38.8591 bar Gas Mole fraction phi Fugacity Partial P(bar) H2O,gas 0.1606E+00 0.8096 0.5053E+01 0.6241E+01 CO2,gas 0.8013E+00 0.9355 0.2913E+02 0.3114E+02 CH4,gas 0.1056E-02 1.0458 0.4292E-01 0.4104E-01 H2,gas 0.1531E-04 1.0187 0.6060E-03 0.5949E-03 H2S,gas 0.3704E-01 0.8979 0.1292E+01 0.1439E+01 S2,gas 0.1671E-11 1.0000 0.6495E-10 0.6495E-10 CO,gas 0.9879E-07 1.0000 0.3839E-05 0.3839E-05 SO3,gas 0.1845E-29 1.0000 0.7169E-28 0.7169E-28 O2,gas 0.3540E-49 1.0000 0.1375E-47 0.1375E-47 SO2,gas 0.5916E-13 1.0000 0.2299E-11 0.2299E-11 NON-Ideal mixing with H2O, CO2, CH4 Gases ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ The following gases and minerals are presently in matrix or were just added Gas or Mineral Log K Log Q Log(Q/K) Log(Q/K)/S Affinity Log Fugacity 46 graphite -3.00 -3.00 -0.00 -0.000 0.84971E-12 70 pyrite -19.96 -19.96 -0.00 -0.000 0.67977E-11 73 quartz -2.62 -2.62 0.00 0.000 0.00000E+00 98 bornite -79.64 -79.64 -0.00 -0.000 0.27191E-10 118 galena -10.97 -10.97 0.00 0.000 0.00000E+00 128 sphalerite -9.86 -9.86 -0.00 -0.000 0.33989E-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 1.99 -0.01 -2.00 -1.995 0.38180E+04 0.704 2 CO2,gas -6.05 -7.28 -1.23 -0.412 0.23624E+04 1.464 3 CH4,gas 5.33 1.26 -4.07 -1.017 0.77804E+04 -1.367 4 H2,gas 8.05 2.13 -5.92 -3.381 0.11321E+05 -3.218 5 H2S,gas -5.46 -8.04 -2.59 -1.294 0.49511E+04 0.111 6 S2,gas -7.47 -20.35 -12.89 -1.983 0.24657E+05 -10.187 7 CO,gas 2.97 -5.14 -8.11 -2.497 0.15527E+05 -5.416 8 SO3,gas 14.25 -16.60 -30.84 -7.711 0.59016E+05 -28.145 9 O2,gas 46.28 -4.28 -50.56 -33.707 0.96742E+05 -47.862 10 SO2,gas -0.12 -14.46 -14.34 -3.823 0.27433E+05 -11.638 11 HCl,gas 2.08 -4.28 -6.36 -3.180 0.12168E+05 -6.360 21 aragonite 0.54 -2.24 -2.78 -0.926 0.53163E+04 23 calcite 0.40 -2.24 -2.64 -0.880 0.50508E+04 28 coesite -2.08 -2.62 -0.54 -0.181 0.10418E+04 30 cristobalite -2.25 -2.62 -0.37 -0.124 0.71224E+03 34 diamond -2.59 -3.00 -0.41 -0.116 0.77974E+03 49 halite 1.54 -1.00 -2.54 -1.269 0.48549E+04 56 magnesite 0.01 -3.77 -3.78 -1.261 0.72357E+04 72 pyrrhotiteFe0.875 -6.03 -9.83 -3.80 -1.397 0.72699E+04 81 sulfur -8.67 -10.18 -1.50 -0.462 0.28752E+04 82 sylvite 1.46 -1.77 -3.22 -1.611 0.61635E+04 88 tridymite -2.29 -2.62 -0.33 -0.110 0.63096E+03 100 chalcedony -2.45 -2.62 -0.17 -0.056 0.31923E+03 101 chalcocite -24.70 -25.91 -1.21 -0.302 0.23083E+04 102 covellite -17.88 -18.04 -0.17 -0.064 0.31972E+03 114 chalcopyrite -26.29 -27.82 -1.53 -0.285 0.29315E+04 125 silica-amorphous -1.83 -2.62 -0.79 -0.263 0.15118E+04 129 wurtzite -8.23 -9.86 -1.64 -0.545 0.31288E+04 Calculations done for 145.0000 Deg. C; 500.0000 bar Temperature changed by -5.000 degrees to 140.000 degrees C. Solids and gases carried ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ Test file for CHIM-XPT. Japanese Geothermal Water. Cooling only. See running notes, below. CHIMRUN demo-1 ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ Number of loops used = 8 Loop limit = 470 Temperature = 140.00 C Pressure = 500.00 bar Mixer fraction = 0.0000000 Water: Moles liquid = 0.5568E+02 kg liquid = 0.1003E+01 Moles total = 0.5551E+02 kg total = 0.1000E+01 Activity = 0.9784 Stoichiometric ionic strength = .7750326E+00 Osmotic coef. = 0.9150 True ionic strength = .6350337E+00 Chg. balance for total moles = 0.1440E-04 Max. difference allowed = 0.6633E-04 Log Log Log Species(n) Molality Molality Activity Activity Gamma Gamma 1 H+ 0.25801E-03 -3.5884 0.15511E-03 -3.8094 0.60117E+00 -0.2210 2 H2O 0.97845E+00 -0.0095 0.97845E+00 -0.0095 3 Cl- 0.60892E+00 -0.2154 0.36291E+00 -0.4402 0.59599E+00 -0.2248 4 SO4-- 0.14460E-07 -7.8398 0.16028E-08 -8.7951 0.11084E+00 -0.9553 5 HCO3- 0.59238E-03 -3.2274 0.35817E-03 -3.4459 0.60464E+00 -0.2185 6 HS- 0.10003E-03 -3.9999 0.59705E-04 -4.2240 0.59686E+00 -0.2241 7 H4SiO4 0.21320E-02 -2.6712 0.21320E-02 -2.6712 0.10000E+01 0.0000 8 Ca++ 0.24660E-01 -1.6080 0.25470E-02 -2.5940 0.10329E+00 -0.9860 9 Mg++ 0.75498E-03 -3.1221 0.74703E-04 -4.1267 0.98948E-01 -1.0046 10 Fe++ 0.30031E-08 -8.5224 0.30022E-09 -9.5226 0.99972E-01 -1.0001 11 K+ 0.79355E-01 -1.1004 0.48053E-01 -1.3183 0.60555E+00 -0.2179 12 Na+ 0.47410E+00 -0.3241 0.28174E+00 -0.5502 0.59426E+00 -0.2260 13 Zn++ 0.33495E-08 -8.4750 0.33486E-09 -9.4751 0.99972E-01 -1.0001 14 Cu+ 0.21788E-12 -12.6618 0.12941E-12 -12.8880 0.59395E+00 -0.2262 15 Pb++ 0.21401E-09 -9.6696 0.22723E-10 -10.6435 0.10618E+00 -0.9740 16 HSiO3- 0.47318E-07 -7.3250 0.28201E-07 -7.5497 0.59599E+00 -0.2248 17 Ca(HSiO3)+ 0.46972E-08 -8.3282 0.28503E-08 -8.5451 0.60682E+00 -0.2169 18 Mg(HSiO3)+ 0.14475E-09 -9.8394 0.87838E-10 -10.0563 0.60682E+00 -0.2169 19 NaHSiO3,aq 0.77438E-07 -7.1110 0.77438E-07 -7.1110 0.10000E+01 0.0000 20 CH4,aq 0.14428E-04 -4.8408 0.13022E-04 -4.8853 0.90258E+00 -0.0445 21 C2H6,aq 0.11882E-11 -11.9251 0.10725E-11 -11.9696 0.90258E+00 -0.0445 22 C3H8,aq 0.13479E-17 -17.8704 0.12166E-17 -17.9149 0.90258E+00 -0.0445 24 ethanol,aq 0.30337E-16 -16.5180 0.27382E-16 -16.5625 0.90258E+00 -0.0445 25 CO,aq 0.14593E-08 -8.8358 0.14593E-08 -8.8358 0.10000E+01 0.0000 26 CO2,aq 0.13530E+00 -0.8687 0.12212E+00 -0.9132 0.90258E+00 -0.0445 27 CO3-2 0.25652E-08 -8.5909 0.27901E-09 -9.5544 0.10877E+00 -0.9635 28 CaCO3,aq 0.19825E-07 -7.7028 0.19825E-07 -7.7028 0.10000E+01 0.0000 29 Ca(HCO3)+ 0.72595E-04 -4.1391 0.44052E-04 -4.3560 0.60682E+00 -0.2169 30 CaCl+ 0.48952E-02 -2.3102 0.29705E-02 -2.5272 0.60682E+00 -0.2169 31 CaCl2,aq 0.22273E-03 -3.6522 0.22273E-03 -3.6522 0.10000E+01 0.0000 32 CaOH+ 0.17944E-07 -7.7461 0.10889E-07 -7.9630 0.60682E+00 -0.2169 33 CaSO4,aq 0.20867E-08 -8.6805 0.20867E-08 -8.6805 0.10000E+01 0.0000 34 HCl,aq 0.17600E-04 -4.7545 0.17600E-04 -4.7545 0.10000E+01 0.0000 38 Cu+2 0.93202E-17 -17.0306 0.94764E-18 -18.0234 0.10168E+00 -0.9928 39 CuCl+ 0.50380E-17 -17.2977 0.30572E-17 -17.5147 0.60682E+00 -0.2169 40 CuCl2,aq 0.19026E-18 -18.7206 0.19026E-18 -18.7206 0.10000E+01 0.0000 43 CuCl,aq 0.22474E-09 -9.6483 0.22474E-09 -9.6483 0.10000E+01 0.0000 44 CuCl2- 0.22070E-08 -8.6562 0.13153E-08 -8.8810 0.59599E+00 -0.2248 45 CuCl3-2 0.19137E-09 -9.7181 0.20816E-10 -10.6816 0.10877E+00 -0.9635 47 CuOH+ 0.20251E-19 -19.6935 0.12289E-19 -19.9105 0.60682E+00 -0.2169 51 FeCl+ 0.49193E-09 -9.3081 0.29851E-09 -9.5250 0.60682E+00 -0.2169 52 FeCl2,aq 0.83460E-13 -13.0785 0.83460E-13 -13.0785 0.10000E+01 0.0000 53 FeCl+2 0.13635E-19 -19.8653 0.13864E-20 -20.8581 0.10168E+00 -0.9928 54 FeO,aq 0.17121E-16 -16.7665 0.17121E-16 -16.7665 0.10000E+01 0.0000 55 FeOH+ 0.59038E-12 -12.2289 0.35825E-12 -12.4458 0.60682E+00 -0.2169 57 FeO+ 0.18024E-16 -16.7441 0.10938E-16 -16.9611 0.60682E+00 -0.2169 58 FeOH+2 0.11610E-17 -17.9352 0.11804E-18 -18.9280 0.10168E+00 -0.9928 60 HFeO2,aq 0.44200E-17 -17.3546 0.44200E-17 -17.3546 0.10000E+01 0.0000 61 H2,aq 0.32796E-06 -6.4842 0.29601E-06 -6.5287 0.90258E+00 -0.0445 62 KCl,aq 0.61404E-03 -3.2118 0.61404E-03 -3.2118 0.10000E+01 0.0000 63 KHSO4,aq 0.24465E-12 -12.6114 0.24465E-12 -12.6114 0.10000E+01 0.0000 64 KOH,aq 0.73918E-09 -9.1313 0.73918E-09 -9.1313 0.10000E+01 0.0000 65 KSO4- 0.32907E-08 -8.4827 0.19612E-08 -8.7075 0.59599E+00 -0.2248 66 MgCO3,aq 0.10817E-09 -9.9659 0.10817E-09 -9.9659 0.10000E+01 0.0000 67 Mg(HCO3)+ 0.21390E-05 -5.6698 0.12980E-05 -5.8867 0.60682E+00 -0.2169 68 MgCl+ 0.10779E-03 -3.9674 0.65412E-04 -4.1843 0.60682E+00 -0.2169 69 MgOH+ 0.22567E-08 -8.6465 0.13694E-08 -8.8635 0.60682E+00 -0.2169 70 NaCl,aq 0.46302E-01 -1.3344 0.46302E-01 -1.3344 0.10000E+01 0.0000 71 NaOH,aq 0.37517E-08 -8.4258 0.37517E-08 -8.4258 0.10000E+01 0.0000 73 OH- 0.29373E-07 -7.5321 0.17191E-07 -7.7647 0.58527E+00 -0.2326 76 PbCl+ 0.14018E-08 -8.8533 0.85063E-09 -9.0703 0.60682E+00 -0.2169 77 PbCl2,aq 0.24761E-08 -8.6062 0.24761E-08 -8.6062 0.10000E+01 0.0000 78 PbCl3- 0.81774E-09 -9.0874 0.48736E-09 -9.3121 0.59599E+00 -0.2248 79 PbCl4-2 0.38306E-09 -9.4167 0.41664E-10 -10.3802 0.10877E+00 -0.9635 80 PbO,aq 0.23523E-15 -15.6285 0.23523E-15 -15.6285 0.10000E+01 0.0000 82 Pb(HS)2,aq 0.17447E-06 -6.7583 0.17447E-06 -6.7583 0.10000E+01 0.0000 83 Pb(HS)3- 0.22077E-09 -9.6561 0.13157E-09 -9.8808 0.59599E+00 -0.2248 84 H2S,aq 0.25706E-01 -1.5900 0.23202E-01 -1.6345 0.90258E+00 -0.0445 85 S2-2 0.19948E-10 -10.7001 0.21697E-11 -11.6636 0.10877E+00 -0.9635 86 S3-2 0.55969E-11 -11.2521 0.60877E-12 -12.2155 0.10877E+00 -0.9635 87 S3- 0.89310E-09 -9.0491 0.53227E-09 -9.2739 0.59599E+00 -0.2248 88 S4-2 0.10737E-11 -11.9691 0.11679E-12 -12.9326 0.10877E+00 -0.9635 89 S5-2 0.14292E-12 -12.8449 0.15546E-13 -13.8084 0.10877E+00 -0.9635 90 SO2,aq 0.16812E-12 -12.7744 0.16812E-12 -12.7744 0.10000E+01 0.0000 91 SO3-2 0.46140E-15 -15.3359 0.56812E-16 -16.2456 0.12313E+00 -0.9096 92 HSO3- 0.13721E-11 -11.8626 0.81777E-12 -12.0874 0.59599E+00 -0.2248 93 HSO4- 0.10695E-08 -8.9708 0.65552E-09 -9.1834 0.61295E+00 -0.2126 95 S2O3-2 0.48150E-11 -11.3174 0.52372E-12 -12.2809 0.10877E+00 -0.9635 96 HS2O3- 0.56319E-13 -13.2493 0.33565E-13 -13.4741 0.59599E+00 -0.2248 97 H2S2O3,aq 0.13652E-15 -15.8648 0.13652E-15 -15.8648 0.10000E+01 0.0000 107 ZnCl+ 0.10825E-06 -6.9656 0.65690E-07 -7.1825 0.60682E+00 -0.2169 108 ZnCl2,aq 0.14292E-07 -7.8449 0.14292E-07 -7.8449 0.10000E+01 0.0000 109 ZnCl3- 0.10943E-08 -8.9609 0.65218E-09 -9.1856 0.59599E+00 -0.2248 110 ZnO,aq 0.33008E-14 -14.4814 0.33008E-14 -14.4814 0.10000E+01 0.0000 111 ZnOH+ 0.20183E-09 -9.6950 0.12248E-09 -9.9120 0.60682E+00 -0.2169 113 HZnO2- 0.53457E-19 -19.2720 0.31860E-19 -19.4968 0.59599E+00 -0.2248 Charge balance for all species = 0.1436E-04 Component Molality Aq.molality ppm log[A(N)/A(H+)**Z] (total) 1 H+ 0.2580086E-03 0.1612828E+00 0.1552909E+03 0.0000 2 H2O 0.1000000E+01 0.5537296E+02 0.9529333E+06 0.0000 3 Cl- 0.6089191E+00 0.6613018E+00 0.2239628E+05 3.3692 4 SO4-- 0.1446022E-07 -.1448864E-04 -.1329537E+01 -1.1764 5 HCO3- 0.5923753E-03 0.1359830E+00 0.7926113E+04 0.3635 6 HS- 0.1000319E-03 0.2582091E-01 0.8157464E+03 -0.4146 7 H4SiO4 0.2132042E-02 0.2132172E-02 0.1957665E+03 -2.6712 8 Ca++ 0.2465989E-01 0.2985044E-01 0.1142826E+04 5.0248 9 Mg++ 0.7549763E-03 0.8649121E-03 0.2008704E+02 3.4921 10 Fe++ 0.3003082E-08 0.3495686E-08 0.1864899E-03 -1.9038 11 K+ 0.7935545E-01 0.7996949E-01 0.2987078E+04 2.4911 12 Na+ 0.4741049E+00 0.5204074E+00 0.1142883E+05 3.2592 13 Zn++ 0.3349546E-08 0.1271912E-06 0.7942529E-02 -1.8564 14 Cu+ 0.2178774E-12 0.2623304E-08 0.1592278E-03 -9.0787 15 Pb++ 0.2140123E-09 0.1799839E-06 0.3562261E-01 -3.0248 Component Tot moles Aq. moles Solid moles Gas moles 1 H+ 0.1632321E+00 0.1617673E+00 0.1464779E-02 0.0000000E+00 2 H2O 0.5550825E+02 0.5553931E+02 -.3106044E-01 0.0000000E+00 3 Cl- 0.6632884E+00 0.6632884E+00 0.0000000E+00 0.0000000E+00 4 SO4-- -.1473305E-02 -.1453216E-04 -.1458773E-02 0.0000000E+00 5 HCO3- 0.1393221E+00 0.1363916E+00 0.2930542E-02 0.0000000E+00 6 HS- 0.2741622E-01 0.2589847E-01 0.1517747E-02 0.0000000E+00 7 H4SiO4 0.1619053E-01 0.2138577E-02 0.1405195E-01 0.0000000E+00 8 Ca++ 0.2994012E-01 0.2994012E-01 0.0000000E+00 0.0000000E+00 9 Mg++ 0.8675104E-03 0.8675104E-03 0.0000000E+00 0.0000000E+00 10 Fe++ 0.2604518E-04 0.3506187E-08 0.2604167E-04 0.0000000E+00 11 K+ 0.8020973E-01 0.8020973E-01 0.0000000E+00 0.0000000E+00 12 Na+ 0.5219708E+00 0.5219708E+00 0.0000000E+00 0.0000000E+00 13 Zn++ 0.5000000E-05 0.1275733E-06 0.4872427E-05 0.0000000E+00 14 Cu+ 0.5000000E-06 0.2631184E-08 0.4973688E-06 0.0000000E+00 15 Pb++ 0.2000000E-05 0.1805246E-06 0.1819475E-05 0.0000000E+00 Chg. balance for solid moles: 0.4282E-18 Mass of aqueous solution: 0.104998E+04 g Temperature = 140.00 C Pressure = 500.00 bar Mixer frac. = 0.0000000 Log Log Vol Gas or mineral Moles Moles Grams Grams Wt.% (cm3) graphite 0.2931E-02 -2.533 0.3520E-01 -1.454 3.984 0.1553E-01 pyrite 0.2594E-04 -4.586 0.3113E-02 -2.507 0.3523 0.6210E-03 quartz 0.1405E-01 -1.852 0.8442 -0.074 95.56 0.3188 bornite 0.9947E-07 -7.002 0.4992E-04 -4.302 0.5650E-02 0.9820E-05 galena 0.1819E-05 -5.740 0.4353E-03 -3.361 0.4927E-01 0.5729E-04 sphalerite 0.4872E-05 -5.312 0.4747E-03 -3.324 0.5373E-01 0.1161E-03 Partial press. Fugacity coef Log fugacity Gas or Mineral Mole fraction or activity Activity coef Log activity graphite 0.1000E+01 0.1000E+01 1.0000 0.000 pyrite 0.1000E+01 0.1000E+01 1.0000 0.000 quartz 0.1000E+01 0.1000E+01 1.0000 0.000 bornite 0.1000E+01 0.1000E+01 1.0000 0.000 galena 0.1000E+01 0.1000E+01 1.0000 0.000 sphalerite 0.1000E+01 0.1000E+01 1.0000 0.000 Solid products produced: Mass = 0.883510 g Volume = 0.335159 cm3 WARNING: mineral volume may be in error because some mineral densities were not supplied in SOLTHERM. See mineral list in file Skip_Species.txt. Gas composition at saturation ( 3 iterations) ------------------------------------------------- Temperature: 140.0000 deg.C Sat. pressure: 37.8629 bar Gas Mole fraction phi Fugacity Partial P(bar) H2O,gas 0.1435E+00 0.8135 0.4421E+01 0.5435E+01 CO2,gas 0.8179E+00 0.9334 0.2891E+02 0.3097E+02 CH4,gas 0.7997E-03 1.0425 0.3157E-01 0.3028E-01 H2,gas 0.1176E-04 1.0184 0.4533E-03 0.4451E-03 H2S,gas 0.3773E-01 0.8971 0.1282E+01 0.1429E+01 S2,gas 0.1660E-11 1.0000 0.6287E-10 0.6287E-10 CO,gas 0.7479E-07 1.0000 0.2832E-05 0.2832E-05 SO3,gas 0.1172E-29 1.0000 0.4437E-28 0.4437E-28 O2,gas 0.9176E-50 1.0000 0.3474E-48 0.3474E-48 SO2,gas 0.5297E-13 1.0000 0.2005E-11 0.2005E-11 NON-Ideal mixing with H2O, CO2, CH4 Gases ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ The following gases and minerals are presently in matrix or were just added Gas or Mineral Log K Log Q Log(Q/K) Log(Q/K)/S Affinity Log Fugacity 46 graphite -3.06 -3.06 0.00 0.000 -0.16791E-11 70 pyrite -20.06 -20.06 0.00 0.000 0.00000E+00 73 quartz -2.65 -2.65 0.00 0.000 0.00000E+00 98 bornite -80.47 -80.47 -0.00 -0.000 0.26866E-10 118 galena -11.06 -11.06 0.00 0.000 -0.33582E-11 128 sphalerite -9.89 -9.89 0.00 0.000 -0.33582E-11 The following gases and minerals are presently EXCLUDED from matrix (Gases and minerals with log(Q/K) less than -5 are not listed below) Gas or Mineral Log K Log Q Log(Q/K) Log(Q/K)/S Affinity Log Fugacity 1 H2O,gas 2.04 -0.01 -2.05 -2.053 0.38820E+04 0.646 2 CO2,gas -6.01 -7.25 -1.24 -0.413 0.23404E+04 1.461 3 CH4,gas 5.32 1.12 -4.20 -1.050 0.79396E+04 -1.501 4 H2,gas 8.13 2.09 -6.04 -3.453 0.11424E+05 -3.344 5 H2S,gas -5.44 -8.03 -2.59 -1.296 0.48988E+04 0.108 6 S2,gas -7.34 -20.24 -12.90 -1.985 0.24389E+05 -10.202 7 CO,gas 3.10 -5.15 -8.25 -2.538 0.15591E+05 -5.548 8 SO3,gas 14.65 -16.40 -31.05 -7.763 0.58704E+05 -28.353 9 O2,gas 46.97 -4.19 -51.16 -34.105 0.96715E+05 -48.459 10 SO2,gas 0.09 -14.31 -14.40 -3.839 0.27217E+05 -11.698 11 HCl,gas 2.22 -4.25 -6.47 -3.234 0.12229E+05 -6.469 21 aragonite 0.60 -2.23 -2.83 -0.944 0.53515E+04 23 calcite 0.46 -2.23 -2.69 -0.897 0.50897E+04 28 coesite -2.10 -2.65 -0.55 -0.183 0.10400E+04 30 cristobalite -2.27 -2.65 -0.38 -0.127 0.71983E+03 34 diamond -2.65 -3.06 -0.41 -0.117 0.77526E+03 49 halite 1.55 -0.99 -2.54 -1.271 0.48047E+04 56 magnesite 0.10 -3.76 -3.86 -1.286 0.72956E+04 72 pyrrhotiteFe0.875 -6.01 -9.96 -3.95 -1.452 0.74649E+04 81 sulfur -8.70 -10.12 -1.42 -0.436 0.26760E+04 82 sylvite 1.45 -1.76 -3.21 -1.607 0.60748E+04 88 tridymite -2.32 -2.65 -0.34 -0.112 0.63642E+03 100 chalcedony -2.48 -2.65 -0.17 -0.056 0.31904E+03 101 chalcocite -25.00 -26.19 -1.19 -0.297 0.22495E+04 102 covellite -18.06 -18.15 -0.09 -0.035 0.17366E+03 114 chalcopyrite -26.48 -28.09 -1.61 -0.299 0.30389E+04 125 silica-amorphous -1.85 -2.65 -0.80 -0.268 0.15213E+04 129 wurtzite -8.23 -9.89 -1.65 -0.552 0.31288E+04 Calculations done for 140.0000 Deg. C; 500.0000 bar Temperature changed by -5.000 degrees to 135.000 degrees C. Solids and gases carried ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ Test file for CHIM-XPT. Japanese Geothermal Water. Cooling only. See running notes, below. CHIMRUN demo-1 ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ Number of loops used = 8 Loop limit = 470 Temperature = 135.00 C Pressure = 500.00 bar Mixer fraction = 0.0000000 Water: Moles liquid = 0.5568E+02 kg liquid = 0.1003E+01 Moles total = 0.5551E+02 kg total = 0.1000E+01 Activity = 0.9784 Stoichiometric ionic strength = .7750302E+00 Osmotic coef. = 0.9175 True ionic strength = .6372786E+00 Chg. balance for total moles = 0.1440E-04 Max. difference allowed = 0.6633E-04 Log Log Log Species(n) Molality Molality Activity Activity Gamma Gamma 1 H+ 0.26784E-03 -3.5721 0.16261E-03 -3.7889 0.60711E+00 -0.2167 2 H2O 0.97839E+00 -0.0095 0.97839E+00 -0.0095 3 Cl- 0.61088E+00 -0.2140 0.36675E+00 -0.4356 0.60037E+00 -0.2216 4 SO4-- 0.19850E-07 -7.7022 0.22719E-08 -8.6436 0.11445E+00 -0.9414 5 HCO3- 0.60756E-03 -3.2164 0.36957E-03 -3.4323 0.60828E+00 -0.2159 6 HS- 0.96819E-04 -4.0140 0.58203E-04 -4.2351 0.60116E+00 -0.2210 7 H4SiO4 0.19785E-02 -2.7037 0.19785E-02 -2.7037 0.10000E+01 0.0000 8 Ca++ 0.24931E-01 -1.6033 0.26660E-02 -2.5741 0.10694E+00 -0.9709 9 Mg++ 0.75863E-03 -3.1200 0.77969E-04 -4.1081 0.10278E+00 -0.9881 10 Fe++ 0.21556E-08 -8.6664 0.22365E-09 -9.6504 0.10375E+00 -0.9840 11 K+ 0.79406E-01 -1.1001 0.48347E-01 -1.3156 0.60885E+00 -0.2155 12 Na+ 0.47573E+00 -0.3226 0.28467E+00 -0.5457 0.59838E+00 -0.2230 13 Zn++ 0.32557E-08 -8.4874 0.33778E-09 -9.4714 0.10375E+00 -0.9840 14 Cu+ 0.16052E-12 -12.7945 0.96010E-13 -13.0177 0.59810E+00 -0.2232 15 Pb++ 0.17811E-09 -9.7493 0.19545E-10 -10.7090 0.10973E+00 -0.9597 16 HSiO3- 0.40467E-07 -7.3929 0.24295E-07 -7.6145 0.60037E+00 -0.2216 17 Ca(HSiO3)+ 0.38514E-08 -8.4144 0.23495E-08 -8.6290 0.61004E+00 -0.2146 18 Mg(HSiO3)+ 0.12077E-09 -9.9180 0.73677E-10 -10.1327 0.61004E+00 -0.2146 19 NaHSiO3,aq 0.69840E-07 -7.1559 0.69840E-07 -7.1559 0.10000E+01 0.0000 20 CH4,aq 0.10224E-04 -4.9904 0.92362E-05 -5.0345 0.90341E+00 -0.0441 21 C2H6,aq 0.64227E-12 -12.1923 0.58023E-12 -12.2364 0.90341E+00 -0.0441 22 C3H8,aq 0.58487E-18 -18.2329 0.52838E-18 -18.2771 0.90341E+00 -0.0441 24 ethanol,aq 0.16068E-16 -16.7940 0.14516E-16 -16.8382 0.90341E+00 -0.0441 25 CO,aq 0.10222E-08 -8.9905 0.10222E-08 -8.9905 0.10000E+01 0.0000 26 CO2,aq 0.13528E+00 -0.8688 0.12222E+00 -0.9129 0.90341E+00 -0.0441 27 CO3-2 0.25268E-08 -8.5974 0.28413E-09 -9.5465 0.11244E+00 -0.9491 28 CaCO3,aq 0.18618E-07 -7.7301 0.18618E-07 -7.7301 0.10000E+01 0.0000 29 Ca(HCO3)+ 0.70605E-04 -4.1512 0.43072E-04 -4.3658 0.61004E+00 -0.2146 30 CaCl+ 0.46374E-02 -2.3337 0.28290E-02 -2.5484 0.61004E+00 -0.2146 31 CaCl2,aq 0.21143E-03 -3.6748 0.21143E-03 -3.6748 0.10000E+01 0.0000 32 CaOH+ 0.13662E-07 -7.8645 0.83342E-08 -8.0791 0.61004E+00 -0.2146 33 CaSO4,aq 0.28484E-08 -8.5454 0.28484E-08 -8.5454 0.10000E+01 0.0000 34 HCl,aq 0.17734E-04 -4.7512 0.17734E-04 -4.7512 0.10000E+01 0.0000 38 Cu+2 0.84378E-17 -17.0738 0.88922E-18 -18.0510 0.10538E+00 -0.9772 39 CuCl+ 0.43561E-17 -17.3609 0.26574E-17 -17.5755 0.61004E+00 -0.2146 40 CuCl2,aq 0.15598E-18 -18.8069 0.15598E-18 -18.8069 0.10000E+01 0.0000 43 CuCl,aq 0.17061E-09 -9.7680 0.17061E-09 -9.7680 0.10000E+01 0.0000 44 CuCl2- 0.16824E-08 -8.7741 0.10100E-08 -8.9957 0.60037E+00 -0.2216 45 CuCl3-2 0.14864E-09 -9.8279 0.16714E-10 -10.7769 0.11244E+00 -0.9491 47 CuOH+ 0.15437E-19 -19.8114 0.94174E-20 -20.0261 0.61004E+00 -0.2146 51 FeCl+ 0.33675E-09 -9.4727 0.20543E-09 -9.6873 0.61004E+00 -0.2146 52 FeCl2,aq 0.39153E-13 -13.4072 0.39153E-13 -13.4072 0.10000E+01 0.0000 54 FeO,aq 0.78486E-17 -17.1052 0.78486E-17 -17.1052 0.10000E+01 0.0000 55 FeOH+ 0.34771E-12 -12.4588 0.21212E-12 -12.6734 0.61004E+00 -0.2146 57 FeO+ 0.10314E-16 -16.9866 0.62923E-17 -17.2012 0.61004E+00 -0.2146 58 FeOH+2 0.73393E-18 -18.1343 0.77345E-19 -19.1116 0.10538E+00 -0.9772 60 HFeO2,aq 0.20911E-17 -17.6796 0.20911E-17 -17.6796 0.10000E+01 0.0000 61 H2,aq 0.23497E-06 -6.6290 0.21228E-06 -6.6731 0.90341E+00 -0.0441 62 KCl,aq 0.56263E-03 -3.2498 0.56263E-03 -3.2498 0.10000E+01 0.0000 63 KHSO4,aq 0.27040E-12 -12.5680 0.27040E-12 -12.5680 0.10000E+01 0.0000 64 KOH,aq 0.59821E-09 -9.2231 0.59821E-09 -9.2231 0.10000E+01 0.0000 65 KSO4- 0.43356E-08 -8.3630 0.26030E-08 -8.5845 0.60037E+00 -0.2216 66 MgCO3,aq 0.10452E-09 -9.9808 0.10452E-09 -9.9808 0.10000E+01 0.0000 67 Mg(HCO3)+ 0.20802E-05 -5.6819 0.12690E-05 -5.8965 0.61004E+00 -0.2146 68 MgCl+ 0.10420E-03 -3.9821 0.63565E-04 -4.1968 0.61004E+00 -0.2146 69 MgOH+ 0.17580E-08 -8.7550 0.10724E-08 -8.9696 0.61004E+00 -0.2146 70 NaCl,aq 0.44676E-01 -1.3499 0.44676E-01 -1.3499 0.10000E+01 0.0000 71 NaOH,aq 0.31102E-08 -8.5072 0.31102E-08 -8.5072 0.10000E+01 0.0000 73 OH- 0.24393E-07 -7.6127 0.14420E-07 -7.8410 0.59116E+00 -0.2283 76 PbCl+ 0.11162E-08 -8.9523 0.68092E-09 -9.1669 0.61004E+00 -0.2146 77 PbCl2,aq 0.19024E-08 -8.7207 0.19024E-08 -8.7207 0.10000E+01 0.0000 78 PbCl3- 0.61594E-09 -9.2105 0.36979E-09 -9.4320 0.60037E+00 -0.2216 79 PbCl4-2 0.28782E-09 -9.5409 0.32363E-10 -10.4899 0.11244E+00 -0.9491 80 PbO,aq 0.13824E-15 -15.8594 0.13824E-15 -15.8594 0.10000E+01 0.0000 82 Pb(HS)2,aq 0.15551E-06 -6.8082 0.15551E-06 -6.8082 0.10000E+01 0.0000 83 Pb(HS)3- 0.18678E-09 -9.7287 0.11214E-09 -9.9502 0.60037E+00 -0.2216 84 H2S,aq 0.25709E-01 -1.5899 0.23226E-01 -1.6340 0.90341E+00 -0.0441 85 S2-2 0.19767E-10 -10.7041 0.22226E-11 -11.6531 0.11244E+00 -0.9491 86 S3-2 0.69157E-11 -11.1602 0.77763E-12 -12.1092 0.11244E+00 -0.9491 87 S3- 0.11022E-08 -8.9578 0.66170E-09 -9.1793 0.60037E+00 -0.2216 88 S4-2 0.16467E-11 -11.7834 0.18516E-12 -12.7324 0.11244E+00 -0.9491 89 S5-2 0.27107E-12 -12.5669 0.30480E-13 -13.5160 0.11244E+00 -0.9491 90 SO2,aq 0.15135E-12 -12.8200 0.15135E-12 -12.8200 0.10000E+01 0.0000 91 SO3-2 0.48864E-15 -15.3110 0.61798E-16 -16.2090 0.12647E+00 -0.8980 92 HSO3- 0.13686E-11 -11.8637 0.82164E-12 -12.0853 0.60037E+00 -0.2216 93 HSO4- 0.13415E-08 -8.8724 0.82643E-09 -9.0828 0.61603E+00 -0.2104 95 S2O3-2 0.65576E-11 -11.1833 0.73736E-12 -12.1323 0.11244E+00 -0.9491 96 HS2O3- 0.73853E-13 -13.1316 0.44339E-13 -13.3532 0.60037E+00 -0.2216 97 H2S2O3,aq 0.17307E-15 -15.7618 0.17307E-15 -15.7618 0.10000E+01 0.0000 107 ZnCl+ 0.87316E-07 -7.0589 0.53266E-07 -7.2735 0.61004E+00 -0.2146 108 ZnCl2,aq 0.11503E-07 -7.9392 0.11503E-07 -7.9392 0.10000E+01 0.0000 109 ZnCl3- 0.89756E-09 -9.0469 0.53887E-09 -9.2685 0.60037E+00 -0.2216 110 ZnO,aq 0.21083E-14 -14.6761 0.21083E-14 -14.6761 0.10000E+01 0.0000 111 ZnOH+ 0.14905E-09 -9.8267 0.90926E-10 -10.0413 0.61004E+00 -0.2146 113 HZnO2- 0.30297E-19 -19.5186 0.18190E-19 -19.7402 0.60037E+00 -0.2216 Charge balance for all species = 0.1436E-04 Component Molality Aq.molality ppm log[A(N)/A(H+)**Z] (total) 1 H+ 0.2678423E-03 0.1612778E+00 0.1552883E+03 0.0000 2 H2O 0.1000000E+01 0.5537298E+02 0.9529472E+06 0.0000 3 Cl- 0.6108774E+00 0.6612982E+00 0.2239648E+05 3.3532 4 SO4-- 0.1985012E-07 -.1025361E-04 -.9409274E+00 -1.0659 5 HCO3- 0.6075633E-03 0.1359738E+00 0.7925690E+04 0.3565 6 HS- 0.9681868E-04 0.2581648E-01 0.8156184E+03 -0.4462 7 H4SiO4 0.1978536E-02 0.1978650E-02 0.1816735E+03 -2.7037 8 Ca++ 0.2493085E-01 0.2985028E-01 0.1142836E+04 5.0036 9 Mg++ 0.7586277E-03 0.8649074E-03 0.2008722E+02 3.4696 10 Fe++ 0.2155635E-08 0.2492772E-08 0.1329878E-03 -2.0727 11 K+ 0.7940643E-01 0.7996906E-01 0.2987104E+04 2.4732 12 Na+ 0.4757287E+00 0.5204046E+00 0.1142894E+05 3.2432 13 Zn++ 0.3255672E-08 0.1031217E-06 0.6439584E-02 -1.8937 14 Cu+ 0.1605232E-12 0.2001787E-08 0.1215051E-03 -9.2288 15 Pb++ 0.1781141E-09 0.1598023E-06 0.3162869E-01 -3.1313 Component Tot moles Aq. moles Solid moles Gas moles 1 H+ 0.1632321E+00 0.1617631E+00 0.1468982E-02 0.0000000E+00 2 H2O 0.5550825E+02 0.5553963E+02 -.3137688E-01 0.0000000E+00 3 Cl- 0.6632884E+00 0.6632884E+00 0.0000000E+00 0.0000000E+00 4 SO4-- -.1473305E-02 -.1028447E-04 -.1463021E-02 0.0000000E+00 5 HCO3- 0.1393221E+00 0.1363831E+00 0.2939038E-02 0.0000000E+00 6 HS- 0.2741622E-01 0.2589418E-01 0.1522042E-02 0.0000000E+00 7 H4SiO4 0.1619053E-01 0.1984605E-02 0.1420592E-01 0.0000000E+00 8 Ca++ 0.2994012E-01 0.2994012E-01 0.0000000E+00 0.0000000E+00 9 Mg++ 0.8675104E-03 0.8675104E-03 0.0000000E+00 0.0000000E+00 10 Fe++ 0.2604518E-04 0.2500275E-08 0.2604268E-04 0.0000000E+00 11 K+ 0.8020973E-01 0.8020973E-01 0.0000000E+00 0.0000000E+00 12 Na+ 0.5219708E+00 0.5219708E+00 0.0000000E+00 0.0000000E+00 13 Zn++ 0.5000000E-05 0.1034320E-06 0.4896568E-05 0.0000000E+00 14 Cu+ 0.5000000E-06 0.2007812E-08 0.4979922E-06 0.0000000E+00 15 Pb++ 0.2000000E-05 0.1602832E-06 0.1839717E-05 0.0000000E+00 Chg. balance for solid moles: 0.2634E-18 Mass of aqueous solution: 0.104997E+04 g Temperature = 135.00 C Pressure = 500.00 bar Mixer frac. = 0.0000000 Log Log Vol Gas or mineral Moles Moles Grams Grams Wt.% (cm3) graphite 0.2939E-02 -2.532 0.3530E-01 -1.452 3.953 0.1558E-01 pyrite 0.2594E-04 -4.586 0.3113E-02 -2.507 0.3486 0.6210E-03 quartz 0.1421E-01 -1.848 0.8535 -0.069 95.59 0.3223 bornite 0.9960E-07 -7.002 0.4998E-04 -4.301 0.5598E-02 0.9832E-05 galena 0.1840E-05 -5.735 0.4402E-03 -3.356 0.4930E-01 0.5793E-04 sphalerite 0.4897E-05 -5.310 0.4771E-03 -3.321 0.5343E-01 0.1167E-03 Partial press. Fugacity coef Log fugacity Gas or Mineral Mole fraction or activity Activity coef Log activity graphite 0.1000E+01 0.1000E+01 1.0000 0.000 pyrite 0.1000E+01 0.1000E+01 1.0000 0.000 quartz 0.1000E+01 0.1000E+01 1.0000 0.000 bornite 0.1000E+01 0.1000E+01 1.0000 0.000 galena 0.1000E+01 0.1000E+01 1.0000 0.000 sphalerite 0.1000E+01 0.1000E+01 1.0000 0.000 Solid products produced: Mass = 0.892870 g Volume = 0.338698 cm3 WARNING: mineral volume may be in error because some mineral densities were not supplied in SOLTHERM. See mineral list in file Skip_Species.txt. Gas composition at saturation ( 3 iterations) ------------------------------------------------- Temperature: 135.0000 deg.C Sat. pressure: 36.8507 bar Gas Mole fraction phi Fugacity Partial P(bar) H2O,gas 0.1278E+00 0.8174 0.3850E+01 0.4710E+01 CO2,gas 0.8332E+00 0.9314 0.2860E+02 0.3070E+02 CH4,gas 0.6017E-03 1.0395 0.2305E-01 0.2217E-01 H2,gas 0.8973E-05 1.0182 0.3367E-03 0.3307E-03 H2S,gas 0.3838E-01 0.8963 0.1268E+01 0.1414E+01 S2,gas 0.1640E-11 1.0000 0.6044E-10 0.6044E-10 CO,gas 0.5613E-07 1.0000 0.2068E-05 0.2068E-05 SO3,gas 0.7302E-30 1.0000 0.2691E-28 0.2691E-28 O2,gas 0.2286E-50 1.0000 0.8426E-49 0.8426E-49 SO2,gas 0.4703E-13 1.0000 0.1733E-11 0.1733E-11 NON-Ideal mixing with H2O, CO2, CH4 Gases ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ The following gases and minerals are presently in matrix or were just added Gas or Mineral Log K Log Q Log(Q/K) Log(Q/K)/S Affinity Log Fugacity 46 graphite -3.11 -3.11 0.00 0.000 -0.16588E-11 70 pyrite -20.16 -20.16 0.00 0.000 0.00000E+00 73 quartz -2.68 -2.68 -0.00 -0.000 0.82939E-12 98 bornite -81.33 -81.33 0.00 0.000 -0.26541E-10 118 galena -11.16 -11.16 0.00 0.000 -0.33176E-11 128 sphalerite -9.92 -9.92 0.00 0.000 -0.33176E-11 The following gases and minerals are presently EXCLUDED from matrix (Gases and minerals with log(Q/K) less than -5 are not listed below) Gas or Mineral Log K Log Q Log(Q/K) Log(Q/K)/S Affinity Log Fugacity 1 H2O,gas 2.10 -0.01 -2.11 -2.113 0.39472E+04 0.586 2 CO2,gas -5.97 -7.21 -1.24 -0.414 0.23208E+04 1.456 3 CH4,gas 5.30 0.97 -4.34 -1.084 0.80986E+04 -1.637 4 H2,gas 8.21 2.04 -6.17 -3.527 0.11527E+05 -3.473 5 H2S,gas -5.43 -8.02 -2.60 -1.298 0.48484E+04 0.103 6 S2,gas -7.21 -20.13 -12.92 -1.987 0.24125E+05 -10.219 7 CO,gas 3.22 -5.16 -8.38 -2.579 0.15657E+05 -5.684 8 SO3,gas 15.06 -16.21 -31.27 -7.817 0.58399E+05 -28.570 9 O2,gas 47.67 -4.10 -51.77 -34.516 0.96693E+05 -49.074 10 SO2,gas 0.30 -14.16 -14.46 -3.856 0.27006E+05 -11.761 11 HCl,gas 2.36 -4.22 -6.58 -3.291 0.12291E+05 -6.581 21 aragonite 0.67 -2.22 -2.88 -0.961 0.53844E+04 23 calcite 0.53 -2.22 -2.74 -0.915 0.51261E+04 28 coesite -2.13 -2.68 -0.56 -0.185 0.10383E+04 30 cristobalite -2.30 -2.68 -0.39 -0.130 0.72755E+03 34 diamond -2.70 -3.11 -0.41 -0.118 0.77073E+03 49 halite 1.56 -0.98 -2.55 -1.273 0.47531E+04 56 magnesite 0.19 -3.75 -3.94 -1.312 0.73532E+04 72 pyrrhotiteFe0.875 -5.99 -10.09 -4.10 -1.508 0.76589E+04 81 sulfur -8.74 -10.06 -1.33 -0.408 0.24784E+04 82 sylvite 1.45 -1.75 -3.20 -1.602 0.59841E+04 88 tridymite -2.34 -2.68 -0.34 -0.115 0.64179E+03 100 chalcedony -2.51 -2.68 -0.17 -0.057 0.31892E+03 101 chalcocite -25.31 -26.48 -1.17 -0.293 0.21903E+04 102 covellite -18.26 -18.27 -0.02 -0.006 0.28524E+02 114 chalcopyrite -26.68 -28.37 -1.68 -0.313 0.31456E+04 125 silica-amorphous -1.87 -2.68 -0.82 -0.273 0.15309E+04 129 wurtzite -8.24 -9.92 -1.68 -0.558 0.31290E+04 Calculations done for 135.0000 Deg. C; 500.0000 bar Temperature changed by -5.000 degrees to 130.000 degrees C. Solids and gases carried ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ Test file for CHIM-XPT. Japanese Geothermal Water. Cooling only. See running notes, below. CHIMRUN demo-1 ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ Number of loops used = 8 Loop limit = 470 Temperature = 130.00 C Pressure = 500.00 bar Mixer fraction = 0.0000000 Water: Moles liquid = 0.5568E+02 kg liquid = 0.1003E+01 Moles total = 0.5551E+02 kg total = 0.1000E+01 Activity = 0.9783 Stoichiometric ionic strength = .7750275E+00 Osmotic coef. = 0.9199 True ionic strength = .6394032E+00 Chg. balance for total moles = 0.1440E-04 Max. difference allowed = 0.6633E-04 Log Log Log Species(n) Molality Molality Activity Activity Gamma Gamma 1 H+ 0.27735E-03 -3.5570 0.17004E-03 -3.7695 0.61307E+00 -0.2125 2 H2O 0.97833E+00 -0.0095 0.97833E+00 -0.0095 3 Cl- 0.61273E+00 -0.2127 0.37062E+00 -0.4311 0.60487E+00 -0.2183 4 SO4-- 0.27334E-07 -7.5633 0.32303E-08 -8.4908 0.11818E+00 -0.9275 5 HCO3- 0.62246E-03 -3.2059 0.38096E-03 -3.4191 0.61202E+00 -0.2132 6 HS- 0.93511E-04 -4.0291 0.56627E-04 -4.2470 0.60557E+00 -0.2178 7 H4SiO4 0.18325E-02 -2.7369 0.18325E-02 -2.7369 0.10000E+01 0.0000 8 Ca++ 0.25185E-01 -1.5989 0.27883E-02 -2.5547 0.11071E+00 -0.9558 9 Mg++ 0.76203E-03 -3.1180 0.81350E-04 -4.0896 0.10675E+00 -0.9716 10 Fe++ 0.15298E-08 -8.8154 0.16472E-09 -9.7832 0.10768E+00 -0.9679 11 K+ 0.79454E-01 -1.0999 0.48645E-01 -1.3130 0.61225E+00 -0.2131 12 Na+ 0.47727E+00 -0.3212 0.28761E+00 -0.5412 0.60262E+00 -0.2200 13 Zn++ 0.31460E-08 -8.5022 0.33875E-09 -9.4701 0.10768E+00 -0.9679 14 Cu+ 0.11703E-12 -12.9317 0.70493E-13 -13.1519 0.60237E+00 -0.2201 15 Pb++ 0.14670E-09 -9.8336 0.16637E-10 -10.7789 0.11341E+00 -0.9453 16 HSiO3- 0.34460E-07 -7.4627 0.20844E-07 -7.6810 0.60487E+00 -0.2183 17 Ca(HSiO3)+ 0.31478E-08 -8.5020 0.19307E-08 -8.7143 0.61336E+00 -0.2123 18 Mg(HSiO3)+ 0.10050E-09 -9.9979 0.61640E-10 -10.2101 0.61336E+00 -0.2123 19 NaHSiO3,aq 0.62915E-07 -7.2012 0.62915E-07 -7.2012 0.10000E+01 0.0000 20 CH4,aq 0.72092E-05 -5.1421 0.65198E-05 -5.1858 0.90437E+00 -0.0437 21 C2H6,aq 0.34375E-12 -12.4638 0.31088E-12 -12.5074 0.90437E+00 -0.0437 22 C3H8,aq 0.25013E-18 -18.6018 0.22621E-18 -18.6455 0.90437E+00 -0.0437 24 ethanol,aq 0.83972E-17 -17.0759 0.75942E-17 -17.1195 0.90437E+00 -0.0437 25 CO,aq 0.71090E-09 -9.1482 0.71090E-09 -9.1482 0.10000E+01 0.0000 26 CO2,aq 0.13527E+00 -0.8688 0.12233E+00 -0.9125 0.90437E+00 -0.0437 27 CO3-2 0.24844E-08 -8.6048 0.28879E-09 -9.5394 0.11624E+00 -0.9346 28 CaCO3,aq 0.17456E-07 -7.7580 0.17456E-07 -7.7580 0.10000E+01 0.0000 29 Ca(HCO3)+ 0.68685E-04 -4.1631 0.42129E-04 -4.3754 0.61336E+00 -0.2123 30 CaCl+ 0.43950E-02 -2.3570 0.26957E-02 -2.5693 0.61336E+00 -0.2123 31 CaCl2,aq 0.20139E-03 -3.6960 0.20139E-03 -3.6960 0.10000E+01 0.0000 32 CaOH+ 0.10340E-07 -7.9855 0.63422E-08 -8.1978 0.61336E+00 -0.2123 33 CaSO4,aq 0.39032E-08 -8.4086 0.39032E-08 -8.4086 0.10000E+01 0.0000 34 HCl,aq 0.17881E-04 -4.7476 0.17881E-04 -4.7476 0.10000E+01 0.0000 38 Cu+2 0.75679E-17 -17.1210 0.82663E-18 -18.0827 0.10923E+00 -0.9617 39 CuCl+ 0.37381E-17 -17.4274 0.22928E-17 -17.6396 0.61336E+00 -0.2123 40 CuCl2,aq 0.12719E-18 -18.8955 0.12719E-18 -18.8955 0.10000E+01 0.0000 43 CuCl,aq 0.12846E-09 -9.8912 0.12846E-09 -9.8912 0.10000E+01 0.0000 44 CuCl2- 0.12719E-08 -8.8955 0.76936E-09 -9.1139 0.60487E+00 -0.2183 45 CuCl3-2 0.11470E-09 -9.9405 0.13332E-10 -10.8751 0.11624E+00 -0.9346 47 CuOH+ 0.11635E-19 -19.9342 0.71366E-20 -20.1465 0.61336E+00 -0.2123 51 FeCl+ 0.22827E-09 -9.6416 0.14001E-09 -9.8538 0.61336E+00 -0.2123 52 FeCl2,aq 0.18054E-13 -13.7434 0.18054E-13 -13.7434 0.10000E+01 0.0000 54 FeO,aq 0.35363E-17 -17.4515 0.35363E-17 -17.4515 0.10000E+01 0.0000 55 FeOH+ 0.20199E-12 -12.6947 0.12389E-12 -12.9069 0.61336E+00 -0.2123 57 FeO+ 0.57953E-17 -17.2369 0.35546E-17 -17.4492 0.61336E+00 -0.2123 58 FeOH+2 0.45638E-18 -18.3407 0.49849E-19 -19.3023 0.10923E+00 -0.9617 60 HFeO2,aq 0.96769E-18 -18.0143 0.96769E-18 -18.0143 0.10000E+01 0.0000 61 H2,aq 0.16734E-06 -6.7764 0.15134E-06 -6.8200 0.90437E+00 -0.0437 62 KCl,aq 0.51511E-03 -3.2881 0.51511E-03 -3.2881 0.10000E+01 0.0000 63 KHSO4,aq 0.29888E-12 -12.5245 0.29888E-12 -12.5245 0.10000E+01 0.0000 64 KOH,aq 0.48202E-09 -9.3169 0.48202E-09 -9.3169 0.10000E+01 0.0000 65 KSO4- 0.57372E-08 -8.2413 0.34702E-08 -8.4596 0.60487E+00 -0.2183 66 MgCO3,aq 0.10092E-09 -9.9960 0.10092E-09 -9.9960 0.10000E+01 0.0000 67 Mg(HCO3)+ 0.20234E-05 -5.6939 0.12411E-05 -5.9062 0.61336E+00 -0.2123 68 MgCl+ 0.10085E-03 -3.9963 0.61855E-04 -4.2086 0.61336E+00 -0.2123 69 MgOH+ 0.13643E-08 -8.8651 0.83680E-09 -9.0774 0.61336E+00 -0.2123 70 NaCl,aq 0.43130E-01 -1.3652 0.43130E-01 -1.3652 0.10000E+01 0.0000 71 NaOH,aq 0.25685E-08 -8.5903 0.25685E-08 -8.5903 0.10000E+01 0.0000 73 OH- 0.20166E-07 -7.6954 0.12043E-07 -7.9193 0.59720E+00 -0.2239 76 PbCl+ 0.88068E-09 -9.0552 0.54017E-09 -9.2675 0.61336E+00 -0.2123 77 PbCl2,aq 0.14495E-08 -8.8388 0.14495E-08 -8.8388 0.10000E+01 0.0000 78 PbCl3- 0.46028E-09 -9.3370 0.27841E-09 -9.5553 0.60487E+00 -0.2183 79 PbCl4-2 0.21475E-09 -9.6681 0.24963E-10 -10.6027 0.11624E+00 -0.9346 80 PbO,aq 0.79969E-16 -16.0971 0.79969E-16 -16.0971 0.10000E+01 0.0000 82 Pb(HS)2,aq 0.13800E-06 -6.8601 0.13800E-06 -6.8601 0.10000E+01 0.0000 83 Pb(HS)3- 0.15733E-09 -9.8032 0.95164E-10 -10.0215 0.60487E+00 -0.2183 84 H2S,aq 0.25712E-01 -1.5899 0.23253E-01 -1.6335 0.90437E+00 -0.0437 85 S2-2 0.19546E-10 -10.7089 0.22720E-11 -11.6436 0.11624E+00 -0.9346 86 S3-2 0.85534E-11 -11.0679 0.99426E-12 -12.0025 0.11624E+00 -0.9346 87 S3- 0.13652E-08 -8.8648 0.82578E-09 -9.0831 0.60487E+00 -0.2183 88 S4-2 0.25360E-11 -11.5958 0.29479E-12 -12.5305 0.11624E+00 -0.9346 89 S5-2 0.51770E-12 -12.2859 0.60178E-13 -13.2206 0.11624E+00 -0.9346 90 SO2,aq 0.13542E-12 -12.8683 0.13542E-12 -12.8683 0.10000E+01 0.0000 91 SO3-2 0.51607E-15 -15.2873 0.67036E-16 -16.1737 0.12990E+00 -0.8864 92 HSO3- 0.13590E-11 -11.8668 0.82204E-12 -12.0851 0.60487E+00 -0.2183 93 HSO4- 0.16837E-08 -8.7737 0.10426E-08 -8.9819 0.61921E+00 -0.2082 95 S2O3-2 0.89462E-11 -11.0484 0.10399E-11 -11.9830 0.11624E+00 -0.9346 96 HS2O3- 0.96854E-13 -13.0139 0.58584E-13 -13.2322 0.60487E+00 -0.2183 97 H2S2O3,aq 0.21880E-15 -15.6600 0.21880E-15 -15.6600 0.10000E+01 0.0000 107 ZnCl+ 0.69864E-07 -7.1557 0.42852E-07 -7.3680 0.61336E+00 -0.2123 108 ZnCl2,aq 0.92110E-08 -8.0357 0.92110E-08 -8.0357 0.10000E+01 0.0000 109 ZnCl3- 0.73400E-09 -9.1343 0.44398E-09 -9.3526 0.60487E+00 -0.2183 110 ZnO,aq 0.13311E-14 -14.8758 0.13311E-14 -14.8758 0.10000E+01 0.0000 111 ZnOH+ 0.10890E-09 -9.9630 0.66795E-10 -10.1753 0.61336E+00 -0.2123 113 HZnO2- 0.16973E-19 -19.7702 0.10267E-19 -19.9886 0.60487E+00 -0.2183 Charge balance for all species = 0.1436E-04 Component Molality Aq.molality ppm log[A(N)/A(H+)**Z] (total) 1 H+ 0.2773534E-03 0.1612739E+00 0.1552867E+03 -0.0000 2 H2O 0.1000000E+01 0.5537299E+02 0.9529604E+06 0.0000 3 Cl- 0.6127328E+00 0.6612948E+00 0.2239667E+05 3.3384 4 SO4-- 0.2733434E-07 -.7211691E-05 -.6617932E+00 -0.9519 5 HCO3- 0.6224639E-03 0.1359671E+00 0.7925403E+04 0.3503 6 HS- 0.9351069E-04 0.2581327E-01 0.8155279E+03 -0.4775 7 H4SiO4 0.1832545E-02 0.1832645E-02 0.1682700E+03 -2.7369 8 Ca++ 0.2518506E-01 0.2985013E-01 0.1142846E+04 4.9843 9 Mg++ 0.7620327E-03 0.8649030E-03 0.2008739E+02 3.4493 10 Fe++ 0.1529788E-08 0.1758277E-08 0.9380424E-04 -2.2443 11 K+ 0.7945354E-01 0.7996865E-01 0.2987130E+04 2.4565 12 Na+ 0.4772715E+00 0.5204019E+00 0.1142903E+05 3.2283 13 Zn++ 0.3146017E-08 0.8306442E-07 0.5187151E-02 -1.9312 14 Cu+ 0.1170264E-12 0.1515219E-08 0.9197250E-04 -9.3824 15 Pb++ 0.1466998E-09 0.1413120E-06 0.2796941E-01 -3.2400 Component Tot moles Aq. moles Solid moles Gas moles 1 H+ 0.1632321E+00 0.1617601E+00 0.1471995E-02 0.0000000E+00 2 H2O 0.5550825E+02 0.5553993E+02 -.3167585E-01 0.0000000E+00 3 Cl- 0.6632884E+00 0.6632884E+00 0.0000000E+00 0.0000000E+00 4 SO4-- -.1473305E-02 -.7233432E-05 -.1466072E-02 0.0000000E+00 5 HCO3- 0.1393221E+00 0.1363770E+00 0.2945140E-02 0.0000000E+00 6 HS- 0.2741622E-01 0.2589109E-01 0.1525133E-02 0.0000000E+00 7 H4SiO4 0.1619053E-01 0.1838170E-02 0.1435236E-01 0.0000000E+00 8 Ca++ 0.2994012E-01 0.2994012E-01 0.0000000E+00 0.0000000E+00 9 Mg++ 0.8675104E-03 0.8675104E-03 0.0000000E+00 0.0000000E+00 10 Fe++ 0.2604518E-04 0.1763578E-08 0.2604341E-04 0.0000000E+00 11 K+ 0.8020973E-01 0.8020973E-01 0.0000000E+00 0.0000000E+00 12 Na+ 0.5219708E+00 0.5219708E+00 0.0000000E+00 0.0000000E+00 13 Zn++ 0.5000000E-05 0.8331483E-07 0.4916685E-05 0.0000000E+00 14 Cu+ 0.5000000E-06 0.1519787E-08 0.4984802E-06 0.0000000E+00 15 Pb++ 0.2000000E-05 0.1417380E-06 0.1858262E-05 0.0000000E+00 Chg. balance for solid moles: -.1673E-18 Mass of aqueous solution: 0.104996E+04 g Temperature = 130.00 C Pressure = 500.00 bar Mixer frac. = 0.0000000 Log Log Vol Gas or mineral Moles Moles Grams Grams Wt.% (cm3) graphite 0.2945E-02 -2.531 0.3537E-01 -1.451 3.923 0.1561E-01 pyrite 0.2594E-04 -4.586 0.3113E-02 -2.507 0.3452 0.6211E-03 quartz 0.1435E-01 -1.843 0.8623 -0.064 95.62 0.3256 bornite 0.9970E-07 -7.001 0.5003E-04 -4.301 0.5548E-02 0.9842E-05 galena 0.1858E-05 -5.731 0.4446E-03 -3.352 0.4930E-01 0.5851E-04 sphalerite 0.4917E-05 -5.308 0.4790E-03 -3.320 0.5312E-01 0.1172E-03 Partial press. Fugacity coef Log fugacity Gas or Mineral Mole fraction or activity Activity coef Log activity graphite 0.1000E+01 0.1000E+01 1.0000 0.000 pyrite 0.1000E+01 0.1000E+01 1.0000 0.000 quartz 0.1000E+01 0.1000E+01 1.0000 0.000 bornite 0.1000E+01 0.1000E+01 1.0000 0.000 galena 0.1000E+01 0.1000E+01 1.0000 0.000 sphalerite 0.1000E+01 0.1000E+01 1.0000 0.000 Solid products produced: Mass = 0.901747 g Volume = 0.342054 cm3 WARNING: mineral volume may be in error because some mineral densities were not supplied in SOLTHERM. See mineral list in file Skip_Species.txt. Gas composition at saturation ( 3 iterations) ------------------------------------------------- Temperature: 130.0000 deg.C Sat. pressure: 35.8199 bar Gas Mole fraction phi Fugacity Partial P(bar) H2O,gas 0.1134E+00 0.8214 0.3338E+01 0.4064E+01 CO2,gas 0.8471E+00 0.9295 0.2821E+02 0.3034E+02 CH4,gas 0.4499E-03 1.0367 0.1671E-01 0.1611E-01 H2,gas 0.6809E-05 1.0179 0.2482E-03 0.2439E-03 H2S,gas 0.3898E-01 0.8957 0.1251E+01 0.1396E+01 S2,gas 0.1611E-11 1.0000 0.5771E-10 0.5771E-10 CO,gas 0.4176E-07 1.0000 0.1496E-05 0.1496E-05 SO3,gas 0.4463E-30 1.0000 0.1599E-28 0.1599E-28 O2,gas 0.5477E-51 1.0000 0.1962E-49 0.1962E-49 SO2,gas 0.4141E-13 1.0000 0.1483E-11 0.1483E-11 NON-Ideal mixing with H2O, CO2, CH4 Gases ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ The following gases and minerals are presently in matrix or were just added Gas or Mineral Log K Log Q Log(Q/K) Log(Q/K)/S Affinity Log Fugacity 46 graphite -3.17 -3.17 0.00 0.000 0.00000E+00 70 pyrite -20.27 -20.27 -0.00 -0.000 0.65539E-11 73 quartz -2.72 -2.72 0.00 0.000 0.00000E+00 98 bornite -82.22 -82.22 -0.00 -0.000 0.52431E-10 118 galena -11.26 -11.26 -0.00 -0.000 0.65539E-11 128 sphalerite -9.95 -9.95 -0.00 -0.000 0.65539E-11 102 covellite -18.46 -18.40 0.06 0.024 -0.11561E+03 The following gases and minerals are presently EXCLUDED from matrix (Gases and minerals with log(Q/K) less than -5 are not listed below) Gas or Mineral Log K Log Q Log(Q/K) Log(Q/K)/S Affinity Log Fugacity 1 H2O,gas 2.17 -0.01 -2.18 -2.175 0.40132E+04 0.523 2 CO2,gas -5.93 -7.18 -1.25 -0.416 0.23034E+04 1.450 3 CH4,gas 5.29 0.82 -4.48 -1.119 0.82573E+04 -1.777 4 H2,gas 8.30 1.99 -6.30 -3.602 0.11629E+05 -3.605 5 H2S,gas -5.41 -8.02 -2.60 -1.301 0.47998E+04 0.097 6 S2,gas -7.08 -20.02 -12.94 -1.990 0.23867E+05 -10.239 7 CO,gas 3.35 -5.18 -8.52 -2.623 0.15725E+05 -5.825 8 SO3,gas 15.48 -16.02 -31.50 -7.874 0.58101E+05 -28.796 9 O2,gas 48.40 -4.01 -52.41 -34.938 0.96676E+05 -49.707 10 SO2,gas 0.51 -14.02 -14.53 -3.874 0.26800E+05 -11.829 11 HCl,gas 2.50 -4.20 -6.70 -3.349 0.12355E+05 -6.697 21 aragonite 0.73 -2.20 -2.94 -0.978 0.54149E+04 23 calcite 0.59 -2.20 -2.80 -0.932 0.51601E+04 28 coesite -2.16 -2.72 -0.56 -0.187 0.10365E+04 30 cristobalite -2.32 -2.72 -0.40 -0.133 0.73539E+03 34 diamond -2.76 -3.17 -0.42 -0.119 0.76616E+03 49 halite 1.58 -0.97 -2.55 -1.274 0.47003E+04 56 magnesite 0.28 -3.74 -4.02 -1.339 0.74085E+04 72 pyrrhotiteFe0.875 -5.97 -10.23 -4.26 -1.565 0.78517E+04 81 sulfur -8.77 -10.01 -1.24 -0.381 0.22826E+04 82 sylvite 1.45 -1.74 -3.19 -1.597 0.58914E+04 88 tridymite -2.37 -2.72 -0.35 -0.117 0.64706E+03 100 chalcedony -2.55 -2.72 -0.17 -0.058 0.31885E+03 101 chalcocite -25.63 -26.78 -1.16 -0.289 0.21307E+04 114 chalcopyrite -26.89 -28.66 -1.76 -0.328 0.32517E+04 125 silica-amorphous -1.88 -2.72 -0.84 -0.278 0.15406E+04 129 wurtzite -8.25 -9.95 -1.70 -0.565 0.31294E+04 ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ Test file for CHIM-XPT. Japanese Geothermal Water. Cooling only. See running notes, below. CHIMRUN demo-1 ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ Number of loops used = 12 Loop limit = 470 Temperature = 130.00 C Pressure = 500.00 bar Mixer fraction = 0.0000000 Water: Moles liquid = 0.5568E+02 kg liquid = 0.1003E+01 Moles total = 0.5551E+02 kg total = 0.1000E+01 Activity = 0.9783 Stoichiometric ionic strength = .7709234E+00 Osmotic coef. = 0.9198 True ionic strength = .6393240E+00 Chg. balance for total moles = 0.1440E-04 Max. difference allowed = 0.6633E-04 Log Log Log Species(n) Molality Molality Activity Activity Gamma Gamma 1 H+ 0.26879E-03 -3.5706 0.16481E-03 -3.7830 0.61316E+00 -0.2124 2 H2O 0.97834E+00 -0.0095 0.97834E+00 -0.0095 3 Cl- 0.61267E+00 -0.2128 0.37064E+00 -0.4311 0.60496E+00 -0.2183 4 SO4-- 0.22198E-07 -7.6537 0.26238E-08 -8.5811 0.11820E+00 -0.9274 5 HCO3- 0.62946E-03 -3.2010 0.38530E-03 -3.4142 0.61211E+00 -0.2132 6 HS- 0.76599E-04 -4.1158 0.46393E-04 -4.3335 0.60565E+00 -0.2178 7 H4SiO4 0.18326E-02 -2.7369 0.18326E-02 -2.7369 0.10000E+01 0.0000 8 Ca++ 0.25182E-01 -1.5989 0.27885E-02 -2.5546 0.11074E+00 -0.9557 9 Mg++ 0.76193E-03 -3.1181 0.81356E-04 -4.0896 0.10678E+00 -0.9715 10 Fe++ 0.23015E-08 -8.6380 0.24787E-09 -9.6058 0.10770E+00 -0.9678 11 K+ 0.79446E-01 -1.0999 0.48648E-01 -1.3129 0.61234E+00 -0.2130 12 Na+ 0.47722E+00 -0.3213 0.28762E+00 -0.5412 0.60271E+00 -0.2199 13 Zn++ 0.37213E-08 -8.4293 0.40077E-09 -9.3971 0.10770E+00 -0.9678 14 Cu+ 0.12425E-12 -12.9057 0.74853E-13 -13.1258 0.60245E+00 -0.2201 15 Pb++ 0.17352E-09 -9.7606 0.19683E-10 -10.7059 0.11343E+00 -0.9453 16 HSiO3- 0.35548E-07 -7.4492 0.21505E-07 -7.6675 0.60496E+00 -0.2183 17 Ca(HSiO3)+ 0.32473E-08 -8.4885 0.19921E-08 -8.7007 0.61345E+00 -0.2122 18 Mg(HSiO3)+ 0.10367E-09 -9.9843 0.63599E-10 -10.1965 0.61345E+00 -0.2122 19 NaHSiO3,aq 0.64912E-07 -7.1877 0.64912E-07 -7.1877 0.10000E+01 0.0000 20 CH4,aq 0.73535E-05 -5.1335 0.66509E-05 -5.1771 0.90445E+00 -0.0436 21 C2H6,aq 0.35414E-12 -12.4508 0.32030E-12 -12.4944 0.90445E+00 -0.0436 22 C3H8,aq 0.26027E-18 -18.5846 0.23540E-18 -18.6282 0.90445E+00 -0.0436 24 ethanol,aq 0.85653E-17 -17.0673 0.77469E-17 -17.1109 0.90445E+00 -0.0436 25 CO,aq 0.70387E-09 -9.1525 0.70387E-09 -9.1525 0.10000E+01 0.0000 26 CO2,aq 0.13259E+00 -0.8775 0.11992E+00 -0.9211 0.90445E+00 -0.0436 27 CO3-2 0.25918E-08 -8.5864 0.30133E-09 -9.5210 0.11626E+00 -0.9346 28 CaCO3,aq 0.18216E-07 -7.7395 0.18216E-07 -7.7395 0.10000E+01 0.0000 29 Ca(HCO3)+ 0.69462E-04 -4.1583 0.42612E-04 -4.3705 0.61345E+00 -0.2122 30 CaCl+ 0.43948E-02 -2.3571 0.26960E-02 -2.5693 0.61345E+00 -0.2122 31 CaCl2,aq 0.20142E-03 -3.6959 0.20142E-03 -3.6959 0.10000E+01 0.0000 32 CaOH+ 0.10667E-07 -7.9720 0.65438E-08 -8.1842 0.61345E+00 -0.2122 33 CaSO4,aq 0.31706E-08 -8.4989 0.31706E-08 -8.4989 0.10000E+01 0.0000 34 HCl,aq 0.17332E-04 -4.7611 0.17332E-04 -4.7611 0.10000E+01 0.0000 38 Cu+2 0.77488E-17 -17.1108 0.84656E-18 -18.0723 0.10925E+00 -0.9616 39 CuCl+ 0.38278E-17 -17.4171 0.23482E-17 -17.6293 0.61345E+00 -0.2122 40 CuCl2,aq 0.13027E-18 -18.8852 0.13027E-18 -18.8852 0.10000E+01 0.0000 43 CuCl,aq 0.13641E-09 -9.8652 0.13641E-09 -9.8652 0.10000E+01 0.0000 44 CuCl2- 0.13505E-08 -8.8695 0.81701E-09 -9.0878 0.60496E+00 -0.2183 45 CuCl3-2 0.12178E-09 -9.9144 0.14159E-10 -10.8490 0.11626E+00 -0.9346 47 CuOH+ 0.12292E-19 -19.9104 0.75405E-20 -20.1226 0.61345E+00 -0.2122 51 FeCl+ 0.34345E-09 -9.4641 0.21069E-09 -9.6764 0.61345E+00 -0.2122 52 FeCl2,aq 0.27169E-13 -13.5659 0.27169E-13 -13.5659 0.10000E+01 0.0000 54 FeO,aq 0.56641E-17 -17.2469 0.56641E-17 -17.2469 0.10000E+01 0.0000 55 FeOH+ 0.31354E-12 -12.5037 0.19234E-12 -12.7159 0.61345E+00 -0.2122 57 FeO+ 0.89512E-17 -17.0481 0.54911E-17 -17.2603 0.61345E+00 -0.2122 58 FeOH+2 0.68320E-18 -18.1655 0.74640E-19 -19.1270 0.10925E+00 -0.9616 60 HFeO2,aq 0.15423E-17 -17.8118 0.15423E-17 -17.8118 0.10000E+01 0.0000 61 H2,aq 0.16900E-06 -6.7721 0.15286E-06 -6.8157 0.90445E+00 -0.0436 62 KCl,aq 0.51515E-03 -3.2881 0.51515E-03 -3.2881 0.10000E+01 0.0000 63 KHSO4,aq 0.23533E-12 -12.6283 0.23533E-12 -12.6283 0.10000E+01 0.0000 64 KOH,aq 0.49733E-09 -9.3034 0.49733E-09 -9.3034 0.10000E+01 0.0000 65 KSO4- 0.46597E-08 -8.3316 0.28189E-08 -8.5499 0.60496E+00 -0.2183 66 MgCO3,aq 0.10531E-09 -9.9775 0.10531E-09 -9.9775 0.10000E+01 0.0000 67 Mg(HCO3)+ 0.20463E-05 -5.6890 0.12553E-05 -5.9012 0.61345E+00 -0.2122 68 MgCl+ 0.10084E-03 -3.9964 0.61862E-04 -4.2086 0.61345E+00 -0.2122 69 MgOH+ 0.14074E-08 -8.8516 0.86340E-09 -9.0638 0.61345E+00 -0.2122 70 NaCl,aq 0.43133E-01 -1.3652 0.43133E-01 -1.3652 0.10000E+01 0.0000 71 NaOH,aq 0.26500E-08 -8.5768 0.26500E-08 -8.5768 0.10000E+01 0.0000 73 OH- 0.20803E-07 -7.6819 0.12425E-07 -7.9057 0.59729E+00 -0.2238 76 PbCl+ 0.10418E-08 -8.9822 0.63910E-09 -9.1944 0.61345E+00 -0.2122 77 PbCl2,aq 0.17151E-08 -8.7657 0.17151E-08 -8.7657 0.10000E+01 0.0000 78 PbCl3- 0.54453E-09 -9.2640 0.32942E-09 -9.4823 0.60496E+00 -0.2183 79 PbCl4-2 0.25406E-09 -9.5951 0.29538E-10 -10.5296 0.11626E+00 -0.9346 80 PbO,aq 0.10070E-15 -15.9970 0.10070E-15 -15.9970 0.10000E+01 0.0000 82 Pb(HS)2,aq 0.10959E-06 -6.9602 0.10959E-06 -6.9602 0.10000E+01 0.0000 83 Pb(HS)3- 0.10234E-09 -9.9900 0.61911E-10 -10.2082 0.60496E+00 -0.2183 84 H2S,aq 0.20416E-01 -1.6900 0.18465E-01 -1.7336 0.90445E+00 -0.0436 85 S2-2 0.12987E-10 -10.8865 0.15099E-11 -11.8211 0.11626E+00 -0.9346 86 S3-2 0.44682E-11 -11.3499 0.51949E-12 -12.2844 0.11626E+00 -0.9346 87 S3- 0.68787E-09 -9.1625 0.41613E-09 -9.3808 0.60496E+00 -0.2183 88 S4-2 0.10416E-11 -11.9823 0.12110E-12 -12.9169 0.11626E+00 -0.9346 89 S5-2 0.16718E-12 -12.7768 0.19437E-13 -13.7114 0.11626E+00 -0.9346 90 SO2,aq 0.10437E-12 -12.9814 0.10437E-12 -12.9814 0.10000E+01 0.0000 91 SO3-2 0.42330E-15 -15.3734 0.54996E-16 -16.2597 0.12992E+00 -0.8863 92 HSO3- 0.10805E-11 -11.9664 0.65367E-12 -12.1846 0.60496E+00 -0.2183 93 HSO4- 0.13254E-08 -8.8777 0.82082E-09 -9.0858 0.61930E+00 -0.2081 95 S2O3-2 0.57693E-11 -11.2389 0.67076E-12 -12.1734 0.11626E+00 -0.9346 96 HS2O3- 0.60544E-13 -13.2179 0.36627E-13 -13.4362 0.60496E+00 -0.2183 97 H2S2O3,aq 0.13259E-15 -15.8775 0.13259E-15 -15.8775 0.10000E+01 0.0000 107 ZnCl+ 0.82647E-07 -7.0828 0.50700E-07 -7.2950 0.61345E+00 -0.2122 108 ZnCl2,aq 0.10898E-07 -7.9626 0.10898E-07 -7.9626 0.10000E+01 0.0000 109 ZnCl3- 0.86837E-09 -9.0613 0.52533E-09 -9.2796 0.60496E+00 -0.2183 110 ZnO,aq 0.16762E-14 -14.7757 0.16762E-14 -14.7757 0.10000E+01 0.0000 111 ZnOH+ 0.13290E-09 -9.8765 0.81530E-10 -10.0887 0.61345E+00 -0.2122 113 HZnO2- 0.22049E-19 -19.6566 0.13339E-19 -19.8749 0.60496E+00 -0.2183 Charge balance for all species = 0.1436E-04 Component Molality Aq.molality ppm log[A(N)/A(H+)**Z] (total) 1 H+ 0.2687914E-03 0.1532929E+00 0.1476445E+03 0.0000 2 H2O 0.1000000E+01 0.5537567E+02 0.9532816E+06 0.0000 3 Cl- 0.6126671E+00 0.6612316E+00 0.2240100E+05 3.3520 4 SO4-- 0.2219835E-07 -.7364147E-05 -.6759787E+00 -1.0150 5 HCO3- 0.6294601E-03 0.1332991E+00 0.7772133E+04 0.3688 6 HS- 0.7659939E-04 0.2050041E-01 0.6478638E+03 -0.5505 7 H4SiO4 0.1832566E-02 0.1832670E-02 0.1683209E+03 -2.7369 8 Ca++ 0.2518157E-01 0.2984728E-01 0.1143066E+04 5.0114 9 Mg++ 0.7619306E-03 0.8648204E-03 0.2009127E+02 3.4764 10 Fe++ 0.2301496E-08 0.2645291E-08 0.1411673E-03 -2.0398 11 K+ 0.7944585E-01 0.7996101E-01 0.2987707E+04 2.4701 12 Na+ 0.4772188E+00 0.5203522E+00 0.1143124E+05 3.2418 13 Zn++ 0.3721262E-08 0.9826822E-07 0.6138359E-02 -1.8311 14 Cu+ 0.1242469E-12 0.1608840E-08 0.9768341E-04 -9.3428 15 Pb++ 0.1735239E-09 0.1134187E-06 0.2245505E-01 -3.1399 Component Tot moles Aq. moles Solid moles Gas moles 1 H+ 0.1632321E+00 0.1537697E+00 0.9462411E-02 0.0000000E+00 2 H2O 0.5550825E+02 0.5554792E+02 -.3966573E-01 0.0000000E+00 3 Cl- 0.6632884E+00 0.6632884E+00 0.0000000E+00 0.0000000E+00 4 SO4-- -.1473305E-02 -.7387054E-05 -.1465918E-02 0.0000000E+00 5 HCO3- 0.1393221E+00 0.1337137E+00 0.5608361E-02 0.0000000E+00 6 HS- 0.2741622E-01 0.2056418E-01 0.6852046E-02 0.0000000E+00 7 H4SiO4 0.1619053E-01 0.1838370E-02 0.1435216E-01 0.0000000E+00 8 Ca++ 0.2994012E-01 0.2994012E-01 0.0000000E+00 0.0000000E+00 9 Mg++ 0.8675104E-03 0.8675104E-03 0.0000000E+00 0.0000000E+00 10 Fe++ 0.2604518E-04 0.2653520E-08 0.2604252E-04 0.0000000E+00 11 K+ 0.8020973E-01 0.8020973E-01 0.0000000E+00 0.0000000E+00 12 Na+ 0.5219708E+00 0.5219708E+00 0.0000000E+00 0.0000000E+00 13 Zn++ 0.5000000E-05 0.9857389E-07 0.4901426E-05 0.0000000E+00 14 Cu+ 0.5000000E-06 0.1613844E-08 0.4983862E-06 0.0000000E+00 15 Pb++ 0.2000000E-05 0.1137715E-06 0.1886229E-05 0.0000000E+00 Chg. balance for solid moles: 0.1052E-17 Mass of aqueous solution: 0.104976E+04 g Temperature = 130.00 C Pressure = 500.00 bar Mixer frac. = 0.0000000 Log Log Vol Gas or mineral Moles Moles Grams Grams Wt.% (cm3) graphite 0.5608E-02 -2.251 0.6736E-01 -1.172 6.098 0.2972E-01 pyrite 0.1802E-02 -2.744 0.2162 -0.665 19.57 0.4313E-01 quartz 0.1435E-01 -1.843 0.8623 -0.064 78.06 0.3256 bornite -.1776E-02 1.000 -.8910 1.000 -80.66 -.1753 galena 0.1886E-05 -5.724 0.4513E-03 -3.346 0.4085E-01 0.5939E-04 sphalerite 0.4901E-05 -5.310 0.4775E-03 -3.321 0.4323E-01 0.1168E-03 covellite 0.8878E-02 -2.052 0.8489 -0.071 76.85 0.1815 Partial press. Fugacity coef Log fugacity Gas or Mineral Mole fraction or activity Activity coef Log activity graphite 0.1000E+01 0.1000E+01 1.0000 0.000 pyrite 0.1000E+01 0.1000E+01 1.0000 0.000 quartz 0.1000E+01 0.1000E+01 1.0000 0.000 bornite 0.1000E+01 0.1000E+01 1.0000 0.000 galena 0.1000E+01 0.1000E+01 1.0000 0.000 sphalerite 0.1000E+01 0.1000E+01 1.0000 0.000 covellite 0.1000E+01 0.1000E+01 1.0000 0.000 Solid products produced: Mass = 1.104600 g Volume = 0.404834 cm3 WARNING: mineral volume may be in error because some mineral densities were not supplied in SOLTHERM. See mineral list in file Skip_Species.txt. Gas composition at saturation ( 3 iterations) ------------------------------------------------- Temperature: 130.0000 deg.C Sat. pressure: 34.8523 bar Gas Mole fraction phi Fugacity Partial P(bar) H2O,gas 0.1160E+00 0.8255 0.3338E+01 0.4044E+01 CO2,gas 0.8518E+00 0.9314 0.2765E+02 0.2969E+02 CH4,gas 0.4721E-03 1.0358 0.1704E-01 0.1645E-01 H2,gas 0.7071E-05 1.0174 0.2507E-03 0.2464E-03 H2S,gas 0.3172E-01 0.8983 0.9930E+00 0.1105E+01 S2,gas 0.1024E-11 1.0000 0.3567E-10 0.3567E-10 CO,gas 0.4250E-07 1.0000 0.1481E-05 0.1481E-05 SO3,gas 0.3500E-30 1.0000 0.1220E-28 0.1220E-28 O2,gas 0.5518E-51 1.0000 0.1923E-49 0.1923E-49 SO2,gas 0.3281E-13 1.0000 0.1143E-11 0.1143E-11 NON-Ideal mixing with H2O, CO2, CH4 Gases ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ The following gases and minerals are presently in matrix or were just added Gas or Mineral Log K Log Q Log(Q/K) Log(Q/K)/S Affinity Log Fugacity 46 graphite -3.17 -3.17 -0.00 -0.000 0.16385E-11 70 pyrite -20.27 -20.27 -0.00 -0.000 0.65539E-11 73 quartz -2.72 -2.72 -0.00 -0.000 0.81923E-12 102 covellite -18.46 -18.46 0.00 0.000 0.00000E+00 118 galena -11.26 -11.26 -0.00 -0.000 0.65539E-11 128 sphalerite -9.95 -9.95 0.00 0.000 0.00000E+00 The following gases and minerals are presently EXCLUDED from matrix (Gases and minerals with log(Q/K) less than -5 are not listed below) Gas or Mineral Log K Log Q Log(Q/K) Log(Q/K)/S Affinity Log Fugacity 1 H2O,gas 2.17 -0.01 -2.18 -2.175 0.40132E+04 0.523 2 CO2,gas -5.93 -7.19 -1.26 -0.419 0.23193E+04 1.442 3 CH4,gas 5.29 0.82 -4.47 -1.117 0.82413E+04 -1.768 4 H2,gas 8.30 2.00 -6.30 -3.600 0.11621E+05 -3.601 5 H2S,gas -5.41 -8.12 -2.70 -1.351 0.49845E+04 -0.003 6 S2,gas -7.08 -20.23 -13.15 -2.023 0.24252E+05 -10.448 7 CO,gas 3.35 -5.18 -8.53 -2.624 0.15733E+05 -5.829 8 SO3,gas 15.48 -16.14 -31.61 -7.903 0.58317E+05 -28.914 9 O2,gas 48.40 -4.02 -52.41 -34.943 0.96692E+05 -49.716 10 SO2,gas 0.51 -14.13 -14.64 -3.904 0.27009E+05 -11.942 11 HCl,gas 2.50 -4.21 -6.71 -3.355 0.12379E+05 -6.711 21 aragonite 0.73 -2.19 -2.92 -0.972 0.53808E+04 23 calcite 0.59 -2.19 -2.78 -0.926 0.51260E+04 28 coesite -2.16 -2.72 -0.56 -0.187 0.10365E+04 30 cristobalite -2.32 -2.72 -0.40 -0.133 0.73539E+03 34 diamond -2.76 -3.17 -0.42 -0.119 0.76616E+03 49 halite 1.58 -0.97 -2.55 -1.274 0.47002E+04 56 magnesite 0.28 -3.72 -4.00 -1.333 0.73744E+04 72 pyrrhotiteFe0.875 -5.97 -10.15 -4.18 -1.537 0.77072E+04 81 sulfur -8.77 -10.11 -1.34 -0.413 0.24753E+04 82 sylvite 1.45 -1.74 -3.19 -1.597 0.58913E+04 88 tridymite -2.37 -2.72 -0.35 -0.117 0.64706E+03 98 bornite -82.22 -82.22 0.00 0.000 0.00000E+00 100 chalcedony -2.55 -2.72 -0.17 -0.058 0.31885E+03 101 chalcocite -25.63 -26.80 -1.18 -0.294 0.21693E+04 114 chalcopyrite -26.89 -28.61 -1.72 -0.320 0.31747E+04 125 silica-amorphous -1.88 -2.72 -0.84 -0.278 0.15406E+04 129 wurtzite -8.25 -9.95 -1.70 -0.565 0.31294E+04 ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ Test file for CHIM-XPT. Japanese Geothermal Water. Cooling only. See running notes, below. CHIMRUN demo-1 ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ Number of loops used = 8 Loop limit = 470 Temperature = 130.00 C Pressure = 500.00 bar Mixer fraction = 0.0000000 Water: Moles liquid = 0.5568E+02 kg liquid = 0.1003E+01 Moles total = 0.5551E+02 kg total = 0.1000E+01 Activity = 0.9783 Stoichiometric ionic strength = .7750272E+00 Osmotic coef. = 0.9199 True ionic strength = .6394032E+00 Chg. balance for total moles = 0.1440E-04 Max. difference allowed = 0.6633E-04 Log Log Log Species(n) Molality Molality Activity Activity Gamma Gamma 1 H+ 0.27735E-03 -3.5570 0.17004E-03 -3.7695 0.61307E+00 -0.2125 2 H2O 0.97833E+00 -0.0095 0.97833E+00 -0.0095 3 Cl- 0.61273E+00 -0.2127 0.37062E+00 -0.4311 0.60487E+00 -0.2183 4 SO4-- 0.27334E-07 -7.5633 0.32302E-08 -8.4908 0.11818E+00 -0.9275 5 HCO3- 0.62246E-03 -3.2059 0.38096E-03 -3.4191 0.61202E+00 -0.2132 6 HS- 0.93510E-04 -4.0291 0.56626E-04 -4.2470 0.60557E+00 -0.2178 7 H4SiO4 0.18325E-02 -2.7369 0.18325E-02 -2.7369 0.10000E+01 0.0000 8 Ca++ 0.25185E-01 -1.5989 0.27883E-02 -2.5547 0.11071E+00 -0.9558 9 Mg++ 0.76203E-03 -3.1180 0.81350E-04 -4.0896 0.10675E+00 -0.9716 10 Fe++ 0.15298E-08 -8.8154 0.16472E-09 -9.7832 0.10768E+00 -0.9679 11 K+ 0.79454E-01 -1.0999 0.48645E-01 -1.3130 0.61225E+00 -0.2131 12 Na+ 0.47727E+00 -0.3212 0.28761E+00 -0.5412 0.60262E+00 -0.2200 13 Zn++ 0.31460E-08 -8.5022 0.33875E-09 -9.4701 0.10768E+00 -0.9679 14 Cu+ 0.10130E-12 -12.9944 0.61021E-13 -13.2145 0.60237E+00 -0.2201 15 Pb++ 0.14670E-09 -9.8336 0.16637E-10 -10.7789 0.11341E+00 -0.9453 16 HSiO3- 0.34460E-07 -7.4627 0.20844E-07 -7.6810 0.60487E+00 -0.2183 17 Ca(HSiO3)+ 0.31478E-08 -8.5020 0.19307E-08 -8.7143 0.61336E+00 -0.2123 18 Mg(HSiO3)+ 0.10050E-09 -9.9979 0.61640E-10 -10.2101 0.61336E+00 -0.2123 19 NaHSiO3,aq 0.62915E-07 -7.2012 0.62915E-07 -7.2012 0.10000E+01 0.0000 20 CH4,aq 0.72092E-05 -5.1421 0.65198E-05 -5.1858 0.90437E+00 -0.0437 21 C2H6,aq 0.34375E-12 -12.4638 0.31088E-12 -12.5074 0.90437E+00 -0.0437 22 C3H8,aq 0.25013E-18 -18.6018 0.22621E-18 -18.6455 0.90437E+00 -0.0437 24 ethanol,aq 0.83972E-17 -17.0759 0.75942E-17 -17.1195 0.90437E+00 -0.0437 25 CO,aq 0.71090E-09 -9.1482 0.71090E-09 -9.1482 0.10000E+01 0.0000 26 CO2,aq 0.13527E+00 -0.8688 0.12233E+00 -0.9125 0.90437E+00 -0.0437 27 CO3-2 0.24844E-08 -8.6048 0.28879E-09 -9.5394 0.11624E+00 -0.9346 28 CaCO3,aq 0.17457E-07 -7.7580 0.17457E-07 -7.7580 0.10000E+01 0.0000 29 Ca(HCO3)+ 0.68685E-04 -4.1631 0.42129E-04 -4.3754 0.61336E+00 -0.2123 30 CaCl+ 0.43950E-02 -2.3570 0.26957E-02 -2.5693 0.61336E+00 -0.2123 31 CaCl2,aq 0.20139E-03 -3.6960 0.20139E-03 -3.6960 0.10000E+01 0.0000 32 CaOH+ 0.10340E-07 -7.9855 0.63422E-08 -8.1978 0.61336E+00 -0.2123 33 CaSO4,aq 0.39031E-08 -8.4086 0.39031E-08 -8.4086 0.10000E+01 0.0000 34 HCl,aq 0.17881E-04 -4.7476 0.17881E-04 -4.7476 0.10000E+01 0.0000 38 Cu+2 0.65510E-17 -17.1837 0.71556E-18 -18.1454 0.10923E+00 -0.9617 39 CuCl+ 0.32358E-17 -17.4900 0.19847E-17 -17.7023 0.61336E+00 -0.2123 40 CuCl2,aq 0.11010E-18 -18.9582 0.11010E-18 -18.9582 0.10000E+01 0.0000 43 CuCl,aq 0.11120E-09 -9.9539 0.11120E-09 -9.9539 0.10000E+01 0.0000 44 CuCl2- 0.11010E-08 -8.9582 0.66599E-09 -9.1765 0.60487E+00 -0.2183 45 CuCl3-2 0.99285E-10 -10.0031 0.11541E-10 -10.9378 0.11624E+00 -0.9346 47 CuOH+ 0.10072E-19 -19.9969 0.61777E-20 -20.2092 0.61336E+00 -0.2123 51 FeCl+ 0.22827E-09 -9.6415 0.14001E-09 -9.8538 0.61336E+00 -0.2123 52 FeCl2,aq 0.18055E-13 -13.7434 0.18055E-13 -13.7434 0.10000E+01 0.0000 54 FeO,aq 0.35364E-17 -17.4514 0.35364E-17 -17.4514 0.10000E+01 0.0000 55 FeOH+ 0.20200E-12 -12.6947 0.12390E-12 -12.9069 0.61336E+00 -0.2123 57 FeO+ 0.57954E-17 -17.2369 0.35547E-17 -17.4492 0.61336E+00 -0.2123 58 FeOH+2 0.45639E-18 -18.3407 0.49850E-19 -19.3023 0.10923E+00 -0.9617 60 HFeO2,aq 0.96772E-18 -18.0143 0.96772E-18 -18.0143 0.10000E+01 0.0000 61 H2,aq 0.16734E-06 -6.7764 0.15134E-06 -6.8200 0.90437E+00 -0.0437 62 KCl,aq 0.51511E-03 -3.2881 0.51511E-03 -3.2881 0.10000E+01 0.0000 63 KHSO4,aq 0.29888E-12 -12.5245 0.29888E-12 -12.5245 0.10000E+01 0.0000 64 KOH,aq 0.48202E-09 -9.3169 0.48202E-09 -9.3169 0.10000E+01 0.0000 65 KSO4- 0.57371E-08 -8.2413 0.34702E-08 -8.4596 0.60487E+00 -0.2183 66 MgCO3,aq 0.10092E-09 -9.9960 0.10092E-09 -9.9960 0.10000E+01 0.0000 67 Mg(HCO3)+ 0.20234E-05 -5.6939 0.12411E-05 -5.9062 0.61336E+00 -0.2123 68 MgCl+ 0.10085E-03 -3.9963 0.61855E-04 -4.2086 0.61336E+00 -0.2123 69 MgOH+ 0.13643E-08 -8.8651 0.83680E-09 -9.0774 0.61336E+00 -0.2123 70 NaCl,aq 0.43130E-01 -1.3652 0.43130E-01 -1.3652 0.10000E+01 0.0000 71 NaOH,aq 0.25685E-08 -8.5903 0.25685E-08 -8.5903 0.10000E+01 0.0000 73 OH- 0.20166E-07 -7.6954 0.12043E-07 -7.9193 0.59720E+00 -0.2239 76 PbCl+ 0.88068E-09 -9.0552 0.54018E-09 -9.2675 0.61336E+00 -0.2123 77 PbCl2,aq 0.14495E-08 -8.8388 0.14495E-08 -8.8388 0.10000E+01 0.0000 78 PbCl3- 0.46028E-09 -9.3370 0.27841E-09 -9.5553 0.60487E+00 -0.2183 79 PbCl4-2 0.21475E-09 -9.6681 0.24963E-10 -10.6027 0.11624E+00 -0.9346 80 PbO,aq 0.79970E-16 -16.0971 0.79970E-16 -16.0971 0.10000E+01 0.0000 82 Pb(HS)2,aq 0.13800E-06 -6.8601 0.13800E-06 -6.8601 0.10000E+01 0.0000 83 Pb(HS)3- 0.15733E-09 -9.8032 0.95162E-10 -10.0215 0.60487E+00 -0.2183 84 H2S,aq 0.25712E-01 -1.5899 0.23253E-01 -1.6335 0.90437E+00 -0.0437 85 S2-2 0.19545E-10 -10.7090 0.22720E-11 -11.6436 0.11624E+00 -0.9346 86 S3-2 0.85532E-11 -11.0679 0.99423E-12 -12.0025 0.11624E+00 -0.9346 87 S3- 0.13652E-08 -8.8648 0.82575E-09 -9.0832 0.60487E+00 -0.2183 88 S4-2 0.25359E-11 -11.5959 0.29477E-12 -12.5305 0.11624E+00 -0.9346 89 S5-2 0.51767E-12 -12.2859 0.60175E-13 -13.2206 0.11624E+00 -0.9346 90 SO2,aq 0.13541E-12 -12.8683 0.13541E-12 -12.8683 0.10000E+01 0.0000 91 SO3-2 0.51607E-15 -15.2873 0.67035E-16 -16.1737 0.12990E+00 -0.8864 92 HSO3- 0.13590E-11 -11.8668 0.82203E-12 -12.0851 0.60487E+00 -0.2183 93 HSO4- 0.16837E-08 -8.7737 0.10425E-08 -8.9819 0.61921E+00 -0.2082 95 S2O3-2 0.89460E-11 -11.0484 0.10399E-11 -11.9830 0.11624E+00 -0.9346 96 HS2O3- 0.96852E-13 -13.0139 0.58583E-13 -13.2322 0.60487E+00 -0.2183 97 H2S2O3,aq 0.21879E-15 -15.6600 0.21879E-15 -15.6600 0.10000E+01 0.0000 107 ZnCl+ 0.69865E-07 -7.1557 0.42853E-07 -7.3680 0.61336E+00 -0.2123 108 ZnCl2,aq 0.92111E-08 -8.0357 0.92111E-08 -8.0357 0.10000E+01 0.0000 109 ZnCl3- 0.73401E-09 -9.1343 0.44398E-09 -9.3526 0.60487E+00 -0.2183 110 ZnO,aq 0.13311E-14 -14.8758 0.13311E-14 -14.8758 0.10000E+01 0.0000 111 ZnOH+ 0.10890E-09 -9.9630 0.66796E-10 -10.1753 0.61336E+00 -0.2123 113 HZnO2- 0.16973E-19 -19.7702 0.10267E-19 -19.9886 0.60487E+00 -0.2183 Charge balance for all species = 0.1436E-04 Component Molality Aq.molality ppm log[A(N)/A(H+)**Z] (total) 1 H+ 0.2773530E-03 0.1612735E+00 0.1552862E+03 0.0000 2 H2O 0.1000000E+01 0.5537299E+02 0.9529604E+06 0.0000 3 Cl- 0.6127328E+00 0.6612948E+00 0.2239667E+05 3.3384 4 SO4-- 0.2733405E-07 -.7211699E-05 -.6617940E+00 -0.9519 5 HCO3- 0.6224642E-03 0.1359669E+00 0.7925394E+04 0.3503 6 HS- 0.9350975E-04 0.2581297E-01 0.8155185E+03 -0.4775 7 H4SiO4 0.1832545E-02 0.1832645E-02 0.1682700E+03 -2.7369 8 Ca++ 0.2518505E-01 0.2985013E-01 0.1142846E+04 4.9843 9 Mg++ 0.7620327E-03 0.8649030E-03 0.2008739E+02 3.4493 10 Fe++ 0.1529820E-08 0.1758313E-08 0.9380617E-04 -2.2443 11 K+ 0.7945354E-01 0.7996865E-01 0.2987130E+04 2.4565 12 Na+ 0.4772715E+00 0.5204019E+00 0.1142903E+05 3.2283 13 Zn++ 0.3146044E-08 0.8306512E-07 0.5187195E-02 -1.9312 14 Cu+ 0.1013021E-12 0.1311626E-08 0.7961457E-04 -9.4451 15 Pb++ 0.1467011E-09 0.1413104E-06 0.2796910E-01 -3.2400 Component Tot moles Aq. moles Solid moles Gas moles 1 H+ 0.1632321E+00 0.1617597E+00 0.1472443E-02 0.0000000E+00 2 H2O 0.5550825E+02 0.5553993E+02 -.3167630E-01 0.0000000E+00 3 Cl- 0.6632884E+00 0.6632884E+00 0.0000000E+00 0.0000000E+00 4 SO4-- -.1473305E-02 -.7233441E-05 -.1466072E-02 0.0000000E+00 5 HCO3- 0.1393221E+00 0.1363768E+00 0.2945290E-02 0.0000000E+00 6 HS- 0.2741622E-01 0.2589079E-01 0.1525432E-02 0.0000000E+00 7 H4SiO4 0.1619053E-01 0.1838170E-02 0.1435236E-01 0.0000000E+00 8 Ca++ 0.2994012E-01 0.2994012E-01 0.0000000E+00 0.0000000E+00 9 Mg++ 0.8675104E-03 0.8675104E-03 0.0000000E+00 0.0000000E+00 10 Fe++ 0.2604518E-04 0.1763614E-08 0.2604341E-04 0.0000000E+00 11 K+ 0.8020973E-01 0.8020973E-01 0.0000000E+00 0.0000000E+00 12 Na+ 0.5219708E+00 0.5219708E+00 0.0000000E+00 0.0000000E+00 13 Zn++ 0.5000000E-05 0.8331554E-07 0.4916684E-05 0.0000000E+00 14 Cu+ 0.5000000E-06 0.1315580E-08 0.4986844E-06 0.0000000E+00 15 Pb++ 0.2000000E-05 0.1417365E-06 0.1858264E-05 0.0000000E+00 Chg. balance for solid moles: -.1368E-18 Mass of aqueous solution: 0.104996E+04 g Temperature = 130.00 C Pressure = 500.00 bar Mixer frac. = 0.0000000 Log Log Vol Gas or mineral Moles Moles Grams Grams Wt.% (cm3) graphite 0.2945E-02 -2.531 0.3537E-01 -1.451 3.923 0.1561E-01 pyrite 0.2604E-04 -4.584 0.3125E-02 -2.505 0.3465 0.6234E-03 quartz 0.1435E-01 -1.843 0.8623 -0.064 95.62 0.3256 covellite 0.4987E-06 -6.302 0.4768E-04 -4.322 0.5287E-02 0.1019E-04 galena 0.1858E-05 -5.731 0.4446E-03 -3.352 0.4930E-01 0.5851E-04 sphalerite 0.4917E-05 -5.308 0.4790E-03 -3.320 0.5312E-01 0.1172E-03 Partial press. Fugacity coef Log fugacity Gas or Mineral Mole fraction or activity Activity coef Log activity graphite 0.1000E+01 0.1000E+01 1.0000 0.000 pyrite 0.1000E+01 0.1000E+01 1.0000 0.000 quartz 0.1000E+01 0.1000E+01 1.0000 0.000 covellite 0.1000E+01 0.1000E+01 1.0000 0.000 galena 0.1000E+01 0.1000E+01 1.0000 0.000 sphalerite 0.1000E+01 0.1000E+01 1.0000 0.000 Solid products produced: Mass = 0.901759 g Volume = 0.342058 cm3 WARNING: mineral volume may be in error because some mineral densities were not supplied in SOLTHERM. See mineral list in file Skip_Species.txt. Gas composition at saturation ( 3 iterations) ------------------------------------------------- Temperature: 130.0000 deg.C Sat. pressure: 35.8198 bar Gas Mole fraction phi Fugacity Partial P(bar) H2O,gas 0.1134E+00 0.8214 0.3338E+01 0.4064E+01 CO2,gas 0.8471E+00 0.9295 0.2821E+02 0.3034E+02 CH4,gas 0.4499E-03 1.0367 0.1671E-01 0.1611E-01 H2,gas 0.6809E-05 1.0179 0.2482E-03 0.2439E-03 H2S,gas 0.3898E-01 0.8957 0.1250E+01 0.1396E+01 S2,gas 0.1611E-11 1.0000 0.5771E-10 0.5771E-10 CO,gas 0.4176E-07 1.0000 0.1496E-05 0.1496E-05 SO3,gas 0.4463E-30 1.0000 0.1598E-28 0.1598E-28 O2,gas 0.5477E-51 1.0000 0.1962E-49 0.1962E-49 SO2,gas 0.4141E-13 1.0000 0.1483E-11 0.1483E-11 NON-Ideal mixing with H2O, CO2, CH4 Gases ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ The following gases and minerals are presently in matrix or were just added Gas or Mineral Log K Log Q Log(Q/K) Log(Q/K)/S Affinity Log Fugacity 46 graphite -3.17 -3.17 -0.00 -0.000 0.32769E-11 70 pyrite -20.27 -20.27 -0.00 -0.000 0.65539E-11 73 quartz -2.72 -2.72 0.00 0.000 0.00000E+00 102 covellite -18.46 -18.46 -0.00 -0.000 0.65539E-11 118 galena -11.26 -11.26 0.00 0.000 0.00000E+00 128 sphalerite -9.95 -9.95 0.00 0.000 0.00000E+00 The following gases and minerals are presently EXCLUDED from matrix (Gases and minerals with log(Q/K) less than -5 are not listed below) Gas or Mineral Log K Log Q Log(Q/K) Log(Q/K)/S Affinity Log Fugacity 1 H2O,gas 2.17 -0.01 -2.18 -2.175 0.40132E+04 0.523 2 CO2,gas -5.93 -7.18 -1.25 -0.416 0.23034E+04 1.450 3 CH4,gas 5.29 0.82 -4.48 -1.119 0.82573E+04 -1.777 4 H2,gas 8.30 1.99 -6.30 -3.602 0.11629E+05 -3.605 5 H2S,gas -5.41 -8.02 -2.60 -1.301 0.47998E+04 0.097 6 S2,gas -7.08 -20.02 -12.94 -1.990 0.23867E+05 -10.239 7 CO,gas 3.35 -5.18 -8.52 -2.623 0.15725E+05 -5.825 8 SO3,gas 15.48 -16.02 -31.50 -7.874 0.58101E+05 -28.796 9 O2,gas 48.40 -4.01 -52.41 -34.938 0.96676E+05 -49.707 10 SO2,gas 0.51 -14.02 -14.53 -3.874 0.26800E+05 -11.829 11 HCl,gas 2.50 -4.20 -6.70 -3.349 0.12355E+05 -6.697 21 aragonite 0.73 -2.20 -2.94 -0.978 0.54149E+04 23 calcite 0.59 -2.20 -2.80 -0.932 0.51601E+04 28 coesite -2.16 -2.72 -0.56 -0.187 0.10365E+04 30 cristobalite -2.32 -2.72 -0.40 -0.133 0.73539E+03 34 diamond -2.76 -3.17 -0.42 -0.119 0.76616E+03 49 halite 1.58 -0.97 -2.55 -1.274 0.47003E+04 56 magnesite 0.28 -3.74 -4.02 -1.339 0.74085E+04 72 pyrrhotiteFe0.875 -5.97 -10.23 -4.26 -1.565 0.78517E+04 81 sulfur -8.77 -10.01 -1.24 -0.381 0.22826E+04 82 sylvite 1.45 -1.74 -3.19 -1.597 0.58914E+04 88 tridymite -2.37 -2.72 -0.35 -0.117 0.64706E+03 98 bornite -82.22 -82.53 -0.31 -0.023 0.57802E+03 100 chalcedony -2.55 -2.72 -0.17 -0.058 0.31885E+03 101 chalcocite -25.63 -26.91 -1.28 -0.320 0.23619E+04 114 chalcopyrite -26.89 -28.72 -1.83 -0.340 0.33673E+04 125 silica-amorphous -1.88 -2.72 -0.84 -0.278 0.15406E+04 129 wurtzite -8.25 -9.95 -1.70 -0.565 0.31294E+04 Calculations done for 130.0000 Deg. C; 500.0000 bar Temperature changed by -5.000 degrees to 125.000 degrees C. Solids and gases carried ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ Test file for CHIM-XPT. Japanese Geothermal Water. Cooling only. See running notes, below. CHIMRUN demo-1 ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ Number of loops used = 8 Loop limit = 470 Temperature = 125.00 C Pressure = 500.00 bar Mixer fraction = 0.0000000 Water: Moles liquid = 0.5568E+02 kg liquid = 0.1003E+01 Moles total = 0.5551E+02 kg total = 0.1000E+01 Activity = 0.9783 Stoichiometric ionic strength = .7750243E+00 Osmotic coef. = 0.9222 True ionic strength = .6414133E+00 Chg. balance for total moles = 0.1440E-04 Max. difference allowed = 0.6633E-04 Log Log Log Species(n) Molality Molality Activity Activity Gamma Gamma 1 H+ 0.28649E-03 -3.5429 0.17735E-03 -3.7512 0.61905E+00 -0.2083 2 H2O 0.97828E+00 -0.0095 0.97828E+00 -0.0095 3 Cl- 0.61449E+00 -0.2115 0.37452E+00 -0.4265 0.60949E+00 -0.2150 4 SO4-- 0.37756E-07 -7.4230 0.46070E-08 -8.3366 0.12202E+00 -0.9136 5 HCO3- 0.63702E-03 -3.1959 0.39232E-03 -3.4064 0.61587E+00 -0.2105 6 HS- 0.90121E-04 -4.0452 0.54982E-04 -4.2598 0.61009E+00 -0.2146 7 H4SiO4 0.16941E-02 -2.7711 0.16941E-02 -2.7711 0.10000E+01 0.0000 8 Ca++ 0.25423E-01 -1.5948 0.29140E-02 -2.5355 0.11462E+00 -0.9407 9 Mg++ 0.76521E-03 -3.1162 0.84849E-04 -4.0714 0.11088E+00 -0.9551 10 Fe++ 0.10734E-08 -8.9692 0.11995E-09 -9.9210 0.11175E+00 -0.9518 11 K+ 0.79497E-01 -1.0996 0.48950E-01 -1.3102 0.61575E+00 -0.2106 12 Na+ 0.47874E+00 -0.3199 0.29058E+00 -0.5367 0.60697E+00 -0.2168 13 Zn++ 0.30227E-08 -8.5196 0.33777E-09 -9.4714 0.11175E+00 -0.9518 14 Cu+ 0.60884E-13 -13.2155 0.36941E-13 -13.4325 0.60674E+00 -0.2170 15 Pb++ 0.11958E-09 -9.9223 0.14016E-10 -10.8534 0.11720E+00 -0.9311 16 HSiO3- 0.29218E-07 -7.5343 0.17808E-07 -7.7494 0.60949E+00 -0.2150 17 Ca(HSiO3)+ 0.25644E-08 -8.5910 0.15817E-08 -8.8009 0.61678E+00 -0.2099 18 Mg(HSiO3)+ 0.83395E-10 -10.0789 0.51436E-10 -10.2887 0.61678E+00 -0.2099 19 NaHSiO3,aq 0.56609E-07 -7.2471 0.56609E-07 -7.2471 0.10000E+01 0.0000 20 CH4,aq 0.50587E-05 -5.2960 0.45805E-05 -5.3391 0.90547E+00 -0.0431 21 C2H6,aq 0.18218E-12 -12.7395 0.16496E-12 -12.7826 0.90547E+00 -0.0431 22 C3H8,aq 0.10543E-18 -18.9771 0.95460E-19 -19.0202 0.90547E+00 -0.0431 24 ethanol,aq 0.43301E-17 -17.3635 0.39208E-17 -17.4066 0.90547E+00 -0.0431 25 CO,aq 0.49092E-09 -9.3090 0.49092E-09 -9.3090 0.10000E+01 0.0000 26 CO2,aq 0.13525E+00 -0.8689 0.12247E+00 -0.9120 0.90547E+00 -0.0431 27 CO3-2 0.24379E-08 -8.6130 0.29295E-09 -9.5332 0.12016E+00 -0.9202 28 CaCO3,aq 0.16341E-07 -7.7867 0.16341E-07 -7.7867 0.10000E+01 0.0000 29 Ca(HCO3)+ 0.66835E-04 -4.1750 0.41222E-04 -4.3849 0.61678E+00 -0.2099 30 CaCl+ 0.41672E-02 -2.3802 0.25702E-02 -2.5900 0.61678E+00 -0.2099 31 CaCl2,aq 0.19251E-03 -3.7155 0.19251E-03 -3.7155 0.10000E+01 0.0000 32 CaOH+ 0.77801E-08 -8.1090 0.47986E-08 -8.3189 0.61678E+00 -0.2099 33 CaSO4,aq 0.53692E-08 -8.2701 0.53692E-08 -8.2701 0.10000E+01 0.0000 34 HCl,aq 0.18044E-04 -4.7437 0.18044E-04 -4.7437 0.10000E+01 0.0000 38 Cu+2 0.48500E-17 -17.3143 0.54906E-18 -18.2604 0.11321E+00 -0.9461 39 CuCl+ 0.22960E-17 -17.6390 0.14161E-17 -17.8489 0.61678E+00 -0.2099 40 CuCl2,aq 0.74401E-19 -19.1284 0.74401E-19 -19.1284 0.10000E+01 0.0000 43 CuCl,aq 0.69181E-10 -10.1600 0.69181E-10 -10.1600 0.10000E+01 0.0000 44 CuCl2- 0.68786E-09 -9.1625 0.41924E-09 -9.3775 0.60949E+00 -0.2150 45 CuCl3-2 0.63412E-10 -10.1978 0.76198E-11 -11.1181 0.12016E+00 -0.9202 51 FeCl+ 0.15324E-09 -9.8146 0.94512E-10 -10.0245 0.61678E+00 -0.2099 52 FeCl2,aq 0.81840E-14 -14.0870 0.81840E-14 -14.0870 0.10000E+01 0.0000 54 FeO,aq 0.15660E-17 -17.8052 0.15660E-17 -17.8052 0.10000E+01 0.0000 55 FeOH+ 0.11574E-12 -12.9365 0.71389E-13 -13.1464 0.61678E+00 -0.2099 57 FeO+ 0.31972E-17 -17.4952 0.19720E-17 -17.7051 0.61678E+00 -0.2099 58 FeOH+2 0.27917E-18 -18.5541 0.31604E-19 -19.5003 0.11321E+00 -0.9461 60 HFeO2,aq 0.43805E-18 -18.3585 0.43805E-18 -18.3585 0.10000E+01 0.0000 61 H2,aq 0.11846E-06 -6.9264 0.10726E-06 -6.9695 0.90547E+00 -0.0431 62 KCl,aq 0.47123E-03 -3.3268 0.47123E-03 -3.3268 0.10000E+01 0.0000 63 KHSO4,aq 0.33038E-12 -12.4810 0.33038E-12 -12.4810 0.10000E+01 0.0000 64 KOH,aq 0.38670E-09 -9.4126 0.38670E-09 -9.4126 0.10000E+01 0.0000 65 KSO4- 0.76244E-08 -8.1178 0.46470E-08 -8.3328 0.60949E+00 -0.2150 66 MgCO3,aq 0.97374E-10 -10.0116 0.97374E-10 -10.0116 0.10000E+01 0.0000 67 Mg(HCO3)+ 0.19686E-05 -5.7058 0.12142E-05 -5.9157 0.61678E+00 -0.2099 68 MgCl+ 0.97723E-04 -4.0100 0.60274E-04 -4.2199 0.61678E+00 -0.2099 69 MgOH+ 0.10547E-08 -8.9769 0.65053E-09 -9.1867 0.61678E+00 -0.2099 70 NaCl,aq 0.41662E-01 -1.3803 0.41662E-01 -1.3803 0.10000E+01 0.0000 71 NaOH,aq 0.21129E-08 -8.6751 0.21129E-08 -8.6751 0.10000E+01 0.0000 73 OH- 0.16597E-07 -7.7800 0.10014E-07 -7.9994 0.60339E+00 -0.2194 76 PbCl+ 0.68860E-09 -9.1620 0.42472E-09 -9.3719 0.61678E+00 -0.2099 77 PbCl2,aq 0.10954E-08 -8.9604 0.10954E-08 -8.9604 0.10000E+01 0.0000 78 PbCl3- 0.34127E-09 -9.4669 0.20800E-09 -9.6819 0.60949E+00 -0.2150 79 PbCl4-2 0.15913E-09 -9.7982 0.19122E-10 -10.7185 0.12016E+00 -0.9202 80 PbO,aq 0.45541E-16 -16.3416 0.45541E-16 -16.3416 0.10000E+01 0.0000 82 Pb(HS)2,aq 0.12192E-06 -6.9139 0.12192E-06 -6.9139 0.10000E+01 0.0000 83 Pb(HS)3- 0.13192E-09 -9.8797 0.80406E-10 -10.0947 0.60949E+00 -0.2150 84 H2S,aq 0.25715E-01 -1.5898 0.23284E-01 -1.6329 0.90547E+00 -0.0431 85 S2-2 0.19285E-10 -10.7148 0.23174E-11 -11.6350 0.12016E+00 -0.9202 86 S3-2 0.10588E-10 -10.9752 0.12723E-11 -11.8954 0.12016E+00 -0.9202 87 S3- 0.16973E-08 -8.7702 0.10345E-08 -8.9853 0.60949E+00 -0.2150 88 S4-2 0.39214E-11 -11.4066 0.47121E-12 -12.3268 0.12016E+00 -0.9202 89 S5-2 0.99551E-12 -12.0020 0.11962E-12 -12.9222 0.12016E+00 -0.9202 90 SO2,aq 0.12040E-12 -12.9194 0.12040E-12 -12.9194 0.10000E+01 0.0000 91 SO3-2 0.54351E-15 -15.2648 0.72511E-16 -16.1396 0.13341E+00 -0.8748 92 HSO3- 0.13436E-11 -11.8717 0.81893E-12 -12.0868 0.60949E+00 -0.2150 93 HSO4- 0.21141E-08 -8.6749 0.13160E-08 -8.8807 0.62249E+00 -0.2059 95 S2O3-2 0.12225E-10 -10.9128 0.14690E-11 -11.8330 0.12016E+00 -0.9202 96 HS2O3- 0.12703E-12 -12.8961 0.77421E-13 -13.1111 0.60949E+00 -0.2150 97 H2S2O3,aq 0.27587E-15 -15.5593 0.27587E-15 -15.5593 0.10000E+01 0.0000 107 ZnCl+ 0.55459E-07 -7.2560 0.34206E-07 -7.4659 0.61678E+00 -0.2099 108 ZnCl2,aq 0.73380E-08 -8.1344 0.73380E-08 -8.1344 0.10000E+01 0.0000 109 ZnCl3- 0.59854E-09 -9.2229 0.36480E-09 -9.4379 0.60949E+00 -0.2150 110 ZnO,aq 0.83061E-15 -15.0806 0.83061E-15 -15.0806 0.10000E+01 0.0000 111 ZnOH+ 0.78725E-10 -10.1039 0.48556E-10 -10.3138 0.61678E+00 -0.2099 Charge balance for all species = 0.1436E-04 Component Molality Aq.molality ppm log[A(N)/A(H+)**Z] (total) 1 H+ 0.2864933E-03 0.1612706E+00 0.1552854E+03 0.0000 2 H2O 0.1000000E+01 0.5537300E+02 0.9529729E+06 0.0000 3 Cl- 0.6144901E+00 0.6612916E+00 0.2239685E+05 3.3246 4 SO4-- 0.3775595E-07 -.5034444E-05 -.4620003E+00 -0.8343 5 HCO3- 0.6370155E-03 0.1359619E+00 0.7925204E+04 0.3448 6 HS- 0.9012111E-04 0.2581063E-01 0.8154551E+03 -0.5086 7 H4SiO4 0.1694056E-02 0.1694144E-02 0.1555551E+03 -2.7711 8 Ca++ 0.2542342E-01 0.2984998E-01 0.1142855E+04 4.9668 9 Mg++ 0.7652059E-03 0.8648988E-03 0.2008755E+02 3.4310 10 Fe++ 0.1073441E-08 0.1226800E-08 0.6545076E-04 -2.4187 11 K+ 0.7949702E-01 0.7996826E-01 0.2987154E+04 2.4409 12 Na+ 0.4787372E+00 0.5203994E+00 0.1142912E+05 3.2144 13 Zn++ 0.3022652E-08 0.6649642E-07 0.4152577E-02 -1.9691 14 Cu+ 0.6088368E-13 0.8205108E-09 0.4980494E-04 -9.6813 15 Pb++ 0.1195839E-09 0.1244533E-06 0.2463292E-01 -3.3511 Component Tot moles Aq. moles Solid moles Gas moles 1 H+ 0.1632321E+00 0.1617575E+00 0.1474594E-02 0.0000000E+00 2 H2O 0.5550825E+02 0.5554021E+02 -.3195849E-01 0.0000000E+00 3 Cl- 0.6632884E+00 0.6632884E+00 0.0000000E+00 0.0000000E+00 4 SO4-- -.1473305E-02 -.5049646E-05 -.1468256E-02 0.0000000E+00 5 HCO3- 0.1393221E+00 0.1363724E+00 0.2949658E-02 0.0000000E+00 6 HS- 0.2741622E-01 0.2588857E-01 0.1527651E-02 0.0000000E+00 7 H4SiO4 0.1619053E-01 0.1699260E-02 0.1449127E-01 0.0000000E+00 8 Ca++ 0.2994012E-01 0.2994012E-01 0.0000000E+00 0.0000000E+00 9 Mg++ 0.8675104E-03 0.8675104E-03 0.0000000E+00 0.0000000E+00 10 Fe++ 0.2604518E-04 0.1230505E-08 0.2604395E-04 0.0000000E+00 11 K+ 0.8020973E-01 0.8020973E-01 0.0000000E+00 0.0000000E+00 12 Na+ 0.5219708E+00 0.5219708E+00 0.0000000E+00 0.0000000E+00 13 Zn++ 0.5000000E-05 0.6669721E-07 0.4933303E-05 0.0000000E+00 14 Cu+ 0.5000000E-06 0.8229884E-09 0.4991770E-06 0.0000000E+00 15 Pb++ 0.2000000E-05 0.1248290E-06 0.1875171E-05 0.0000000E+00 Chg. balance for solid moles: -.5226E-18 Mass of aqueous solution: 0.104995E+04 g Temperature = 125.00 C Pressure = 500.00 bar Mixer frac. = 0.0000000 Log Log Vol Gas or mineral Moles Moles Grams Grams Wt.% (cm3) graphite 0.2950E-02 -2.530 0.3543E-01 -1.451 3.892 0.1563E-01 pyrite 0.2604E-04 -4.584 0.3125E-02 -2.505 0.3433 0.6235E-03 quartz 0.1449E-01 -1.839 0.8706 -0.060 95.66 0.3288 covellite 0.4992E-06 -6.302 0.4773E-04 -4.321 0.5244E-02 0.1020E-04 galena 0.1875E-05 -5.727 0.4486E-03 -3.348 0.4929E-01 0.5905E-04 sphalerite 0.4933E-05 -5.307 0.4807E-03 -3.318 0.5281E-01 0.1175E-03 Partial press. Fugacity coef Log fugacity Gas or Mineral Mole fraction or activity Activity coef Log activity graphite 0.1000E+01 0.1000E+01 1.0000 0.000 pyrite 0.1000E+01 0.1000E+01 1.0000 0.000 quartz 0.1000E+01 0.1000E+01 1.0000 0.000 covellite 0.1000E+01 0.1000E+01 1.0000 0.000 galena 0.1000E+01 0.1000E+01 1.0000 0.000 sphalerite 0.1000E+01 0.1000E+01 1.0000 0.000 Solid products produced: Mass = 0.910163 g Volume = 0.345234 cm3 WARNING: mineral volume may be in error because some mineral densities were not supplied in SOLTHERM. See mineral list in file Skip_Species.txt. Gas composition at saturation ( 3 iterations) ------------------------------------------------- Temperature: 125.0000 deg.C Sat. pressure: 34.7682 bar Gas Mole fraction phi Fugacity Partial P(bar) H2O,gas 0.1004E+00 0.8255 0.2880E+01 0.3489E+01 CO2,gas 0.8598E+00 0.9278 0.2773E+02 0.2989E+02 CH4,gas 0.3343E-03 1.0341 0.1202E-01 0.1162E-01 H2,gas 0.5137E-05 1.0175 0.1817E-03 0.1786E-03 H2S,gas 0.3953E-01 0.8952 0.1230E+01 0.1374E+01 S2,gas 0.1574E-11 1.0000 0.5473E-10 0.5473E-10 CO,gas 0.3082E-07 1.0000 0.1072E-05 0.1072E-05 SO3,gas 0.2676E-30 1.0000 0.9303E-29 0.9303E-29 O2,gas 0.1261E-51 1.0000 0.4385E-50 0.4385E-50 SO2,gas 0.3618E-13 1.0000 0.1258E-11 0.1258E-11 NON-Ideal mixing with H2O, CO2, CH4 Gases ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ The following gases and minerals are presently in matrix or were just added Gas or Mineral Log K Log Q Log(Q/K) Log(Q/K)/S Affinity Log Fugacity 46 graphite -3.23 -3.23 0.00 0.000 0.00000E+00 70 pyrite -20.39 -20.39 -0.00 -0.000 0.64726E-11 73 quartz -2.75 -2.75 0.00 0.000 0.00000E+00 102 covellite -18.67 -18.67 -0.00 -0.000 0.64726E-11 118 galena -11.36 -11.36 0.00 0.000 -0.32363E-11 128 sphalerite -9.98 -9.98 -0.00 -0.000 0.32363E-11 The following gases and minerals are presently EXCLUDED from matrix (Gases and minerals with log(Q/K) less than -5 are not listed below) Gas or Mineral Log K Log Q Log(Q/K) Log(Q/K)/S Affinity Log Fugacity 1 H2O,gas 2.23 -0.01 -2.24 -2.240 0.40801E+04 0.459 2 CO2,gas -5.89 -7.15 -1.26 -0.419 0.22882E+04 1.443 3 CH4,gas 5.28 0.66 -4.62 -1.155 0.84153E+04 -1.920 4 H2,gas 8.39 1.95 -6.44 -3.680 0.11732E+05 -3.741 5 H2S,gas -5.40 -8.01 -2.61 -1.304 0.47531E+04 0.090 6 S2,gas -6.96 -19.92 -12.96 -1.994 0.23613E+05 -10.262 7 CO,gas 3.48 -5.19 -8.67 -2.667 0.15794E+05 -5.970 8 SO3,gas 15.90 -15.83 -31.73 -7.933 0.57809E+05 -29.031 9 O2,gas 49.14 -3.91 -53.06 -35.371 0.96663E+05 -50.358 10 SO2,gas 0.73 -13.87 -14.60 -3.893 0.26598E+05 -11.900 11 HCl,gas 2.64 -4.18 -6.82 -3.408 0.12419E+05 -6.817 21 aragonite 0.80 -2.19 -2.99 -0.996 0.54432E+04 23 calcite 0.66 -2.19 -2.85 -0.950 0.51918E+04 28 coesite -2.18 -2.75 -0.57 -0.189 0.10348E+04 30 cristobalite -2.34 -2.75 -0.41 -0.136 0.74332E+03 34 diamond -2.82 -3.23 -0.42 -0.119 0.76154E+03 49 halite 1.59 -0.96 -2.55 -1.275 0.46462E+04 56 magnesite 0.37 -3.73 -4.10 -1.365 0.74616E+04 72 pyrrhotiteFe0.875 -5.95 -10.37 -4.41 -1.624 0.80431E+04 81 sulfur -8.81 -9.96 -1.15 -0.353 0.20886E+04 82 sylvite 1.45 -1.74 -3.18 -1.591 0.57968E+04 88 tridymite -2.39 -2.75 -0.36 -0.119 0.65223E+03 98 bornite -83.13 -83.84 -0.71 -0.053 0.12932E+04 100 chalcedony -2.58 -2.75 -0.17 -0.058 0.31883E+03 101 chalcocite -25.95 -27.37 -1.42 -0.355 0.25882E+04 114 chalcopyrite -27.11 -29.10 -1.98 -0.369 0.36157E+04 125 silica-amorphous -1.90 -2.75 -0.85 -0.284 0.15504E+04 129 wurtzite -8.26 -9.98 -1.72 -0.573 0.31300E+04 Calculations done for 125.0000 Deg. C; 500.0000 bar Temperature changed by -5.000 degrees to 120.000 degrees C. Solids and gases carried ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ Test file for CHIM-XPT. Japanese Geothermal Water. Cooling only. See running notes, below. CHIMRUN demo-1 ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ Number of loops used = 8 Loop limit = 470 Temperature = 120.00 C Pressure = 500.00 bar Mixer fraction = 0.0000000 Water: Moles liquid = 0.5568E+02 kg liquid = 0.1003E+01 Moles total = 0.5551E+02 kg total = 0.1000E+01 Activity = 0.9782 Stoichiometric ionic strength = .7750214E+00 Osmotic coef. = 0.9243 True ionic strength = .6432304E+00 Chg. balance for total moles = 0.1440E-04 Max. difference allowed = 0.6633E-04 Log Log Log Species(n) Molality Molality Activity Activity Gamma Gamma 1 H+ 0.29546E-03 -3.5295 0.18466E-03 -3.7336 0.62501E+00 -0.2041 2 H2O 0.97823E+00 -0.0096 0.97823E+00 -0.0096 3 Cl- 0.61607E+00 -0.2104 0.37884E+00 -0.4215 0.61494E+00 -0.2112 4 SO4-- 0.52302E-07 -7.2815 0.65960E-08 -8.1807 0.12611E+00 -0.8992 5 HCO3- 0.65134E-03 -3.1862 0.40419E-03 -3.3934 0.62055E+00 -0.2072 6 HS- 0.86707E-04 -4.0619 0.53365E-04 -4.2727 0.61545E+00 -0.2108 7 H4SiO4 0.15653E-02 -2.8054 0.15653E-02 -2.8054 0.10000E+01 0.0000 8 Ca++ 0.25646E-01 -1.5910 0.30463E-02 -2.5162 0.11878E+00 -0.9253 9 Mg++ 0.76815E-03 -3.1146 0.88555E-04 -4.0528 0.11528E+00 -0.9382 10 Fe++ 0.74586E-09 -9.1273 0.86579E-10 -10.0626 0.11608E+00 -0.9352 11 K+ 0.79536E-01 -1.0994 0.49318E-01 -1.3070 0.62008E+00 -0.2076 12 Na+ 0.48005E+00 -0.3187 0.29386E+00 -0.5319 0.61214E+00 -0.2131 13 Zn++ 0.28865E-08 -8.5396 0.33507E-09 -9.4749 0.11608E+00 -0.9352 14 Cu+ 0.36209E-13 -13.4412 0.22158E-13 -13.6545 0.61194E+00 -0.2133 15 Pb++ 0.96691E-10 -10.0146 0.11723E-10 -10.9309 0.12125E+00 -0.9163 16 HSiO3- 0.24682E-07 -7.6076 0.15178E-07 -7.8188 0.61494E+00 -0.2112 17 Ca(HSiO3)+ 0.20850E-08 -8.6809 0.12949E-08 -8.8878 0.62103E+00 -0.2069 18 Mg(HSiO3)+ 0.69062E-10 -10.1608 0.42889E-10 -10.3677 0.62103E+00 -0.2069 19 NaHSiO3,aq 0.50960E-07 -7.2928 0.50960E-07 -7.2928 0.10000E+01 0.0000 20 CH4,aq 0.35348E-05 -5.4516 0.32051E-05 -5.4942 0.90672E+00 -0.0425 21 C2H6,aq 0.95915E-13 -13.0181 0.86968E-13 -13.0606 0.90672E+00 -0.0425 22 C3H8,aq 0.44036E-19 -19.3562 0.39928E-19 -19.3987 0.90672E+00 -0.0425 24 ethanol,aq 0.22150E-17 -17.6546 0.20084E-17 -17.6972 0.90672E+00 -0.0425 25 CO,aq 0.33772E-09 -9.4714 0.33772E-09 -9.4714 0.10000E+01 0.0000 26 CO2,aq 0.13524E+00 -0.8689 0.12262E+00 -0.9114 0.90672E+00 -0.0425 27 CO3-2 0.23899E-08 -8.6216 0.29717E-09 -9.5270 0.12434E+00 -0.9054 28 CaCO3,aq 0.15332E-07 -7.8144 0.15332E-07 -7.8144 0.10000E+01 0.0000 29 Ca(HCO3)+ 0.65084E-04 -4.1865 0.40419E-04 -4.3934 0.62103E+00 -0.2069 30 CaCl+ 0.39536E-02 -2.4030 0.24553E-02 -2.6099 0.62103E+00 -0.2069 31 CaCl2,aq 0.18493E-03 -3.7330 0.18493E-03 -3.7330 0.10000E+01 0.0000 32 CaOH+ 0.58354E-08 -8.2339 0.36240E-08 -8.4408 0.62103E+00 -0.2069 33 CaSO4,aq 0.74282E-08 -8.1291 0.74282E-08 -8.1291 0.10000E+01 0.0000 34 HCl,aq 0.18234E-04 -4.7391 0.18234E-04 -4.7391 0.10000E+01 0.0000 38 Cu+2 0.35544E-17 -17.4492 0.41746E-18 -18.3794 0.11745E+00 -0.9302 39 CuCl+ 0.16154E-17 -17.7917 0.10032E-17 -17.9986 0.62103E+00 -0.2069 40 CuCl2,aq 0.50037E-19 -19.3007 0.50037E-19 -19.3007 0.10000E+01 0.0000 43 CuCl,aq 0.42767E-10 -10.3689 0.42767E-10 -10.3689 0.10000E+01 0.0000 44 CuCl2- 0.42703E-09 -9.3695 0.26260E-09 -9.5807 0.61494E+00 -0.2112 45 CuCl3-2 0.40340E-10 -10.3943 0.50159E-11 -11.2996 0.12434E+00 -0.9054 51 FeCl+ 0.10203E-09 -9.9913 0.63363E-10 -10.1982 0.62103E+00 -0.2069 52 FeCl2,aq 0.36736E-14 -14.4349 0.36736E-14 -14.4349 0.10000E+01 0.0000 54 FeO,aq 0.68556E-18 -18.1640 0.68556E-18 -18.1640 0.10000E+01 0.0000 55 FeOH+ 0.65596E-13 -13.1831 0.40737E-13 -13.3900 0.62103E+00 -0.2069 57 FeO+ 0.17411E-17 -17.7592 0.10813E-17 -17.9661 0.62103E+00 -0.2069 58 FeOH+2 0.16864E-18 -18.7730 0.19806E-19 -19.7032 0.11745E+00 -0.9302 60 HFeO2,aq 0.19583E-18 -18.7081 0.19583E-18 -18.7081 0.10000E+01 0.0000 61 H2,aq 0.83523E-07 -7.0782 0.75732E-07 -7.1207 0.90672E+00 -0.0425 62 KCl,aq 0.43203E-03 -3.3645 0.43203E-03 -3.3645 0.10000E+01 0.0000 63 KHSO4,aq 0.36636E-12 -12.4361 0.36636E-12 -12.4361 0.10000E+01 0.0000 64 KOH,aq 0.31025E-09 -9.5083 0.31025E-09 -9.5083 0.10000E+01 0.0000 65 KSO4- 0.10186E-07 -7.9920 0.62639E-08 -8.2032 0.61494E+00 -0.2112 66 MgCO3,aq 0.94243E-10 -10.0258 0.94243E-10 -10.0258 0.10000E+01 0.0000 67 Mg(HCO3)+ 0.19155E-05 -5.7177 0.11896E-05 -5.9246 0.62103E+00 -0.2069 68 MgCl+ 0.94825E-04 -4.0231 0.58889E-04 -4.2300 0.62103E+00 -0.2069 69 MgOH+ 0.81343E-09 -9.0897 0.50516E-09 -9.2966 0.62103E+00 -0.2069 70 NaCl,aq 0.40349E-01 -1.3942 0.40349E-01 -1.3942 0.10000E+01 0.0000 71 NaOH,aq 0.17376E-08 -8.7600 0.17376E-08 -8.7600 0.10000E+01 0.0000 73 OH- 0.13611E-07 -7.8661 0.83088E-08 -8.0805 0.61043E+00 -0.2144 76 PbCl+ 0.53501E-09 -9.2716 0.33226E-09 -9.4785 0.62103E+00 -0.2069 77 PbCl2,aq 0.82492E-09 -9.0836 0.82492E-09 -9.0836 0.10000E+01 0.0000 78 PbCl3- 0.25212E-09 -9.5984 0.15504E-09 -9.8096 0.61494E+00 -0.2112 79 PbCl4-2 0.11773E-09 -9.9291 0.14639E-10 -10.8345 0.12434E+00 -0.9054 80 PbO,aq 0.25704E-16 -16.5900 0.25704E-16 -16.5900 0.10000E+01 0.0000 82 Pb(HS)2,aq 0.10745E-06 -6.9688 0.10745E-06 -6.9688 0.10000E+01 0.0000 83 Pb(HS)3- 0.11034E-09 -9.9573 0.67853E-10 -10.1684 0.61494E+00 -0.2112 84 H2S,aq 0.25718E-01 -1.5898 0.23319E-01 -1.6323 0.90672E+00 -0.0425 85 S2-2 0.19029E-10 -10.7206 0.23661E-11 -11.6260 0.12434E+00 -0.9054 86 S3-2 0.13137E-10 -10.8815 0.16334E-11 -11.7869 0.12434E+00 -0.9054 87 S3- 0.21154E-08 -8.6746 0.13009E-08 -8.8858 0.61494E+00 -0.2112 88 S4-2 0.60954E-11 -11.2150 0.75792E-12 -12.1204 0.12434E+00 -0.9054 89 S5-2 0.19277E-11 -11.7150 0.23970E-12 -12.6203 0.12434E+00 -0.9054 90 SO2,aq 0.10674E-12 -12.9717 0.10674E-12 -12.9717 0.10000E+01 0.0000 91 SO3-2 0.57226E-15 -15.2424 0.78494E-16 -16.1052 0.13716E+00 -0.8628 92 HSO3- 0.13254E-11 -11.8777 0.81504E-12 -12.0888 0.61494E+00 -0.2112 93 HSO4- 0.26580E-08 -8.5755 0.16655E-08 -8.7785 0.62661E+00 -0.2030 95 S2O3-2 0.16749E-10 -10.7760 0.20825E-11 -11.6814 0.12434E+00 -0.9054 96 HS2O3- 0.16681E-12 -12.7778 0.10258E-12 -12.9889 0.61494E+00 -0.2112 97 H2S2O3,aq 0.34818E-15 -15.4582 0.34818E-15 -15.4582 0.10000E+01 0.0000 107 ZnCl+ 0.43760E-07 -7.3589 0.27176E-07 -7.5658 0.62103E+00 -0.2069 108 ZnCl2,aq 0.58341E-08 -8.2340 0.58341E-08 -8.2340 0.10000E+01 0.0000 109 ZnCl3- 0.48704E-09 -9.3124 0.29950E-09 -9.5236 0.61494E+00 -0.2112 110 ZnO,aq 0.51485E-15 -15.2883 0.51485E-15 -15.2883 0.10000E+01 0.0000 111 ZnOH+ 0.56431E-10 -10.2485 0.35045E-10 -10.4554 0.62103E+00 -0.2069 Charge balance for all species = 0.1436E-04 Component Molality Aq.molality ppm log[A(N)/A(H+)**Z] (total) 1 H+ 0.2954600E-03 0.1612683E+00 0.1552851E+03 0.0000 2 H2O 0.1000000E+01 0.5537302E+02 0.9529844E+06 0.0000 3 Cl- 0.6160707E+00 0.6612886E+00 0.2239702E+05 3.3121 4 SO4-- 0.5230204E-07 -.3481842E-05 -.3195251E+00 -0.7135 5 HCO3- 0.6513374E-03 0.1359582E+00 0.7925081E+04 0.3402 6 HS- 0.8670748E-04 0.2580894E-01 0.8154112E+03 -0.5391 7 H4SiO4 0.1565321E-02 0.1565399E-02 0.1437355E+03 -2.8054 8 Ca++ 0.2564618E-01 0.2984985E-01 0.1142863E+04 4.9510 9 Mg++ 0.7681538E-03 0.8648949E-03 0.2008770E+02 3.4144 10 Fe++ 0.7458627E-09 0.8479610E-09 0.4523992E-04 -2.5954 11 K+ 0.7953587E-01 0.7996790E-01 0.2987176E+04 2.4266 12 Na+ 0.4800477E+00 0.5203971E+00 0.1142921E+05 3.2018 13 Zn++ 0.2886534E-08 0.5302455E-07 0.3311323E-02 -2.0076 14 Cu+ 0.3620904E-13 0.5101732E-09 0.3096785E-04 -9.9209 15 Pb++ 0.9669073E-10 0.1093845E-06 0.2165063E-01 -3.4637 Component Tot moles Aq. moles Solid moles Gas moles 1 H+ 0.1632321E+00 0.1617560E+00 0.1476123E-02 0.0000000E+00 2 H2O 0.5550825E+02 0.5554047E+02 -.3221986E-01 0.0000000E+00 3 Cl- 0.6632884E+00 0.6632884E+00 0.0000000E+00 0.0000000E+00 4 SO4-- -.1473305E-02 -.3492372E-05 -.1469813E-02 0.0000000E+00 5 HCO3- 0.1393221E+00 0.1363693E+00 0.2952773E-02 0.0000000E+00 6 HS- 0.2741622E-01 0.2588698E-01 0.1529238E-02 0.0000000E+00 7 H4SiO4 0.1619053E-01 0.1570133E-02 0.1462040E-01 0.0000000E+00 8 Ca++ 0.2994012E-01 0.2994012E-01 0.0000000E+00 0.0000000E+00 9 Mg++ 0.8675104E-03 0.8675104E-03 0.0000000E+00 0.0000000E+00 10 Fe++ 0.2604518E-04 0.8505253E-09 0.2604433E-04 0.0000000E+00 11 K+ 0.8020973E-01 0.8020973E-01 0.0000000E+00 0.0000000E+00 12 Na+ 0.5219708E+00 0.5219708E+00 0.0000000E+00 0.0000000E+00 13 Zn++ 0.5000000E-05 0.5318490E-07 0.4946815E-05 0.0000000E+00 14 Cu+ 0.5000000E-06 0.5117160E-09 0.4994883E-06 0.0000000E+00 15 Pb++ 0.2000000E-05 0.1097152E-06 0.1890285E-05 0.0000000E+00 Chg. balance for solid moles: -.3083E-18 Mass of aqueous solution: 0.104994E+04 g Temperature = 120.00 C Pressure = 500.00 bar Mixer frac. = 0.0000000 Log Log Vol Gas or mineral Moles Moles Grams Grams Wt.% (cm3) graphite 0.2953E-02 -2.530 0.3546E-01 -1.450 3.863 0.1565E-01 pyrite 0.2604E-04 -4.584 0.3125E-02 -2.505 0.3404 0.6235E-03 quartz 0.1462E-01 -1.835 0.8784 -0.056 95.69 0.3317 covellite 0.4995E-06 -6.301 0.4776E-04 -4.321 0.5202E-02 0.1021E-04 galena 0.1890E-05 -5.723 0.4523E-03 -3.345 0.4927E-01 0.5952E-04 sphalerite 0.4947E-05 -5.306 0.4820E-03 -3.317 0.5250E-01 0.1179E-03 Partial press. Fugacity coef Log fugacity Gas or Mineral Mole fraction or activity Activity coef Log activity graphite 0.1000E+01 0.1000E+01 1.0000 0.000 pyrite 0.1000E+01 0.1000E+01 1.0000 0.000 quartz 0.1000E+01 0.1000E+01 1.0000 0.000 covellite 0.1000E+01 0.1000E+01 1.0000 0.000 galena 0.1000E+01 0.1000E+01 1.0000 0.000 sphalerite 0.1000E+01 0.1000E+01 1.0000 0.000 Solid products produced: Mass = 0.917963 g Volume = 0.348181 cm3 WARNING: mineral volume may be in error because some mineral densities were not supplied in SOLTHERM. See mineral list in file Skip_Species.txt. Gas composition at saturation ( 3 iterations) ------------------------------------------------- Temperature: 120.0000 deg.C Sat. pressure: 33.7672 bar Gas Mole fraction phi Fugacity Partial P(bar) H2O,gas 0.8851E-01 0.8293 0.2478E+01 0.2989E+01 CO2,gas 0.8712E+00 0.9260 0.2724E+02 0.2942E+02 CH4,gas 0.2472E-03 1.0318 0.8614E-02 0.8349E-02 H2,gas 0.3857E-05 1.0173 0.1325E-03 0.1302E-03 H2S,gas 0.4003E-01 0.8946 0.1209E+01 0.1352E+01 S2,gas 0.1533E-11 1.0000 0.5177E-10 0.5177E-10 CO,gas 0.2261E-07 1.0000 0.7636E-06 0.7636E-06 SO3,gas 0.1587E-30 1.0000 0.5361E-29 0.5361E-29 O2,gas 0.2839E-52 1.0000 0.9585E-51 0.9585E-51 SO2,gas 0.3148E-13 1.0000 0.1063E-11 0.1063E-11 NON-Ideal mixing with H2O, CO2, CH4 Gases ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ The following gases and minerals are presently in matrix or were just added Gas or Mineral Log K Log Q Log(Q/K) Log(Q/K)/S Affinity Log Fugacity 46 graphite -3.30 -3.30 -0.00 -0.000 0.15978E-11 70 pyrite -20.51 -20.51 0.00 0.000 0.00000E+00 73 quartz -2.79 -2.79 0.00 0.000 0.00000E+00 102 covellite -18.88 -18.88 0.00 0.000 0.00000E+00 118 galena -11.47 -11.47 0.00 0.000 0.00000E+00 128 sphalerite -10.01 -10.01 0.00 0.000 -0.31956E-11 The following gases and minerals are presently EXCLUDED from matrix (Gases and minerals with log(Q/K) less than -5 are not listed below) Gas or Mineral Log K Log Q Log(Q/K) Log(Q/K)/S Affinity Log Fugacity 1 H2O,gas 2.30 -0.01 -2.30 -2.305 0.41463E+04 0.394 2 CO2,gas -5.85 -7.12 -1.26 -0.421 0.22734E+04 1.435 3 CH4,gas 5.27 0.50 -4.76 -1.191 0.85700E+04 -2.065 4 H2,gas 8.48 1.90 -6.58 -3.758 0.11832E+05 -3.878 5 H2S,gas -5.39 -8.01 -2.62 -1.308 0.47069E+04 0.083 6 S2,gas -6.83 -19.81 -12.98 -1.998 0.23360E+05 -10.286 7 CO,gas 3.61 -5.21 -8.82 -2.713 0.15860E+05 -6.117 8 SO3,gas 16.33 -15.64 -31.97 -7.992 0.57513E+05 -29.271 9 O2,gas 49.90 -3.82 -53.72 -35.812 0.96637E+05 -51.018 10 SO2,gas 0.94 -13.73 -14.67 -3.913 0.26396E+05 -11.973 11 HCl,gas 2.78 -4.16 -6.94 -3.469 0.12481E+05 -6.938 21 aragonite 0.86 -2.18 -3.04 -1.013 0.54675E+04 23 calcite 0.73 -2.18 -2.90 -0.967 0.52191E+04 28 coesite -2.21 -2.79 -0.57 -0.191 0.10331E+04 30 cristobalite -2.37 -2.79 -0.42 -0.139 0.75104E+03 34 diamond -2.88 -3.30 -0.42 -0.120 0.75658E+03 49 halite 1.60 -0.95 -2.55 -1.276 0.45894E+04 56 magnesite 0.46 -3.71 -4.17 -1.391 0.75093E+04 72 pyrrhotiteFe0.875 -5.94 -10.51 -4.58 -1.683 0.82309E+04 81 sulfur -8.85 -9.91 -1.05 -0.324 0.18964E+04 82 sylvite 1.44 -1.73 -3.17 -1.584 0.56999E+04 88 tridymite -2.42 -2.79 -0.37 -0.122 0.65699E+03 98 bornite -84.06 -85.18 -1.11 -0.083 0.20002E+04 100 chalcedony -2.61 -2.79 -0.18 -0.059 0.31885E+03 101 chalcocite -26.28 -27.85 -1.56 -0.391 0.28146E+04 114 chalcopyrite -27.33 -29.48 -2.15 -0.399 0.38606E+04 125 silica-amorphous -1.92 -2.79 -0.87 -0.289 0.15591E+04 129 wurtzite -8.27 -10.01 -1.74 -0.580 0.31305E+04 Calculations done for 120.0000 Deg. C; 500.0000 bar Temperature changed by -5.000 degrees to 115.000 degrees C. Solids and gases carried ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ Test file for CHIM-XPT. Japanese Geothermal Water. Cooling only. See running notes, below. CHIMRUN demo-1 ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ Number of loops used = 7 Loop limit = 470 Temperature = 115.00 C Pressure = 500.00 bar Mixer fraction = 0.0000000 Water: Moles liquid = 0.5568E+02 kg liquid = 0.1003E+01 Moles total = 0.5551E+02 kg total = 0.1000E+01 Activity = 0.9782 Stoichiometric ionic strength = .7750184E+00 Osmotic coef. = 0.9263 True ionic strength = .6449897E+00 Chg. balance for total moles = 0.1440E-04 Max. difference allowed = 0.6633E-04 Log Log Log Species(n) Molality Molality Activity Activity Gamma Gamma 1 H+ 0.30385E-03 -3.5173 0.19173E-03 -3.7173 0.63100E+00 -0.2000 2 H2O 0.97818E+00 -0.0096 0.97818E+00 -0.0096 3 Cl- 0.61761E+00 -0.2093 0.38302E+00 -0.4168 0.62016E+00 -0.2075 4 SO4-- 0.72677E-07 -7.1386 0.94676E-08 -8.0238 0.13027E+00 -0.8852 5 HCO3- 0.66511E-03 -3.1771 0.41568E-03 -3.3812 0.62498E+00 -0.2041 6 HS- 0.83220E-04 -4.0798 0.51645E-04 -4.2870 0.62059E+00 -0.2072 7 H4SiO4 0.14425E-02 -2.8409 0.14425E-02 -2.8409 0.10000E+01 0.0000 8 Ca++ 0.25855E-01 -1.5875 0.31808E-02 -2.4975 0.12302E+00 -0.9100 9 Mg++ 0.77090E-03 -3.1130 0.92346E-04 -4.0346 0.11979E+00 -0.9216 10 Fe++ 0.51211E-09 -9.2906 0.61717E-10 -10.2096 0.12052E+00 -0.9190 11 K+ 0.79572E-01 -1.0992 0.49665E-01 -1.3039 0.62415E+00 -0.2047 12 Na+ 0.48133E+00 -0.3176 0.29702E+00 -0.5272 0.61708E+00 -0.2097 13 Zn++ 0.27417E-08 -8.5620 0.33041E-09 -9.4809 0.12052E+00 -0.9190 14 Cu+ 0.21211E-13 -13.6734 0.13085E-13 -13.8832 0.61691E+00 -0.2098 15 Pb++ 0.77303E-10 -10.1118 0.96903E-11 -11.0137 0.12535E+00 -0.9019 16 HSiO3- 0.20752E-07 -7.6829 0.12870E-07 -7.8904 0.62016E+00 -0.2075 17 Ca(HSiO3)+ 0.16888E-08 -8.7724 0.10555E-08 -8.9765 0.62502E+00 -0.2041 18 Mg(HSiO3)+ 0.57014E-10 -10.2440 0.35635E-10 -10.4481 0.62502E+00 -0.2041 19 NaHSiO3,aq 0.45780E-07 -7.3393 0.45780E-07 -7.3393 0.10000E+01 0.0000 20 CH4,aq 0.24569E-05 -5.6096 0.22312E-05 -5.6515 0.90811E+00 -0.0419 21 C2H6,aq 0.49918E-13 -13.3017 0.45332E-13 -13.3436 0.90811E+00 -0.0419 22 C3H8,aq 0.18077E-19 -19.7429 0.16416E-19 -19.7847 0.90811E+00 -0.0419 24 ethanol,aq 0.11150E-17 -17.9527 0.10125E-17 -17.9946 0.90811E+00 -0.0419 25 CO,aq 0.23031E-09 -9.6377 0.23031E-09 -9.6377 0.10000E+01 0.0000 26 CO2,aq 0.13522E+00 -0.8690 0.12280E+00 -0.9108 0.90811E+00 -0.0419 27 CO3-2 0.23370E-08 -8.6313 0.30052E-09 -9.5221 0.12859E+00 -0.8908 28 CaCO3,aq 0.14334E-07 -7.8436 0.14334E-07 -7.8436 0.10000E+01 0.0000 29 Ca(HCO3)+ 0.63381E-04 -4.1980 0.39614E-04 -4.4021 0.62502E+00 -0.2041 30 CaCl+ 0.37530E-02 -2.4256 0.23457E-02 -2.6297 0.62502E+00 -0.2041 31 CaCl2,aq 0.17817E-03 -3.7492 0.17817E-03 -3.7492 0.10000E+01 0.0000 32 CaOH+ 0.43452E-08 -8.3620 0.27158E-08 -8.5661 0.62502E+00 -0.2041 33 CaSO4,aq 0.10307E-07 -7.9869 0.10307E-07 -7.9869 0.10000E+01 0.0000 34 HCl,aq 0.18436E-04 -4.7343 0.18436E-04 -4.7343 0.10000E+01 0.0000 38 Cu+2 0.25705E-17 -17.5900 0.31302E-18 -18.5044 0.12178E+00 -0.9144 39 CuCl+ 0.11235E-17 -17.9494 0.70222E-18 -18.1535 0.62502E+00 -0.2041 40 CuCl2,aq 0.33316E-19 -19.4773 0.33316E-19 -19.4773 0.10000E+01 0.0000 43 CuCl,aq 0.26078E-10 -10.5837 0.26078E-10 -10.5837 0.10000E+01 0.0000 44 CuCl2- 0.26150E-09 -9.5825 0.16217E-09 -9.7900 0.62016E+00 -0.2075 45 CuCl3-2 0.25350E-10 -10.5960 0.32598E-11 -11.4868 0.12859E+00 -0.8908 51 FeCl+ 0.67231E-10 -10.1724 0.42020E-10 -10.3765 0.62502E+00 -0.2041 52 FeCl2,aq 0.16154E-14 -14.7917 0.16154E-14 -14.7917 0.10000E+01 0.0000 54 FeO,aq 0.29409E-18 -18.5315 0.29409E-18 -18.5315 0.10000E+01 0.0000 55 FeOH+ 0.36620E-13 -13.4363 0.22888E-13 -13.6404 0.62502E+00 -0.2041 57 FeO+ 0.92851E-18 -18.0322 0.58034E-18 -18.2363 0.62502E+00 -0.2041 58 FeOH+2 0.10003E-18 -18.9999 0.12181E-19 -19.9143 0.12178E+00 -0.9144 60 HFeO2,aq 0.85219E-19 -19.0695 0.85219E-19 -19.0695 0.10000E+01 0.0000 61 H2,aq 0.58475E-07 -7.2330 0.53102E-07 -7.2749 0.90811E+00 -0.0419 62 KCl,aq 0.39521E-03 -3.4032 0.39521E-03 -3.4032 0.10000E+01 0.0000 63 KHSO4,aq 0.40564E-12 -12.3919 0.40564E-12 -12.3919 0.10000E+01 0.0000 64 KOH,aq 0.24725E-09 -9.6069 0.24725E-09 -9.6069 0.10000E+01 0.0000 65 KSO4- 0.13659E-07 -7.8646 0.84709E-08 -8.0721 0.62016E+00 -0.2075 66 MgCO3,aq 0.90960E-10 -10.0411 0.90960E-10 -10.0411 0.10000E+01 0.0000 67 Mg(HCO3)+ 0.18642E-05 -5.7295 0.11651E-05 -5.9336 0.62502E+00 -0.2041 68 MgCl+ 0.92126E-04 -4.0356 0.57581E-04 -4.2397 0.62502E+00 -0.2041 69 MgOH+ 0.62445E-09 -9.2045 0.39029E-09 -9.4086 0.62502E+00 -0.2041 70 NaCl,aq 0.39063E-01 -1.4082 0.39063E-01 -1.4082 0.10000E+01 0.0000 71 NaOH,aq 0.14209E-08 -8.8474 0.14209E-08 -8.8474 0.10000E+01 0.0000 73 OH- 0.11106E-07 -7.9544 0.68557E-08 -8.1639 0.61729E+00 -0.2095 76 PbCl+ 0.41143E-09 -9.3857 0.25715E-09 -9.5898 0.62502E+00 -0.2041 77 PbCl2,aq 0.61480E-09 -9.2113 0.61480E-09 -9.2113 0.10000E+01 0.0000 78 PbCl3- 0.18445E-09 -9.7341 0.11439E-09 -9.9416 0.62016E+00 -0.2075 79 PbCl4-2 0.86296E-10 -10.0640 0.11097E-10 -10.9548 0.12859E+00 -0.8908 80 PbO,aq 0.14233E-16 -16.8467 0.14233E-16 -16.8467 0.10000E+01 0.0000 82 Pb(HS)2,aq 0.94180E-07 -7.0260 0.94180E-07 -7.0260 0.10000E+01 0.0000 83 Pb(HS)3- 0.91784E-10 -10.0372 0.56921E-10 -10.2447 0.62016E+00 -0.2075 84 H2S,aq 0.25722E-01 -1.5897 0.23358E-01 -1.6316 0.90811E+00 -0.0419 85 S2-2 0.18713E-10 -10.7279 0.24063E-11 -11.6186 0.12859E+00 -0.8908 86 S3-2 0.16302E-10 -10.7878 0.20963E-11 -11.6785 0.12859E+00 -0.8908 87 S3- 0.26479E-08 -8.5771 0.16421E-08 -8.7846 0.62016E+00 -0.2075 88 S4-2 0.95080E-11 -11.0219 0.12227E-11 -11.9127 0.12859E+00 -0.8908 89 S5-2 0.37586E-11 -11.4250 0.48332E-12 -12.3158 0.12859E+00 -0.8908 90 SO2,aq 0.93886E-13 -13.0274 0.93886E-13 -13.0274 0.10000E+01 0.0000 91 SO3-2 0.60004E-15 -15.2218 0.84568E-16 -16.0728 0.14094E+00 -0.8510 92 HSO3- 0.13003E-11 -11.8860 0.80637E-12 -12.0935 0.62016E+00 -0.2075 93 HSO4- 0.33419E-08 -8.4760 0.21069E-08 -8.6764 0.63046E+00 -0.2003 95 S2O3-2 0.22972E-10 -10.6388 0.29541E-11 -11.5296 0.12859E+00 -0.8908 96 HS2O3- 0.21894E-12 -12.6597 0.13578E-12 -12.8672 0.62016E+00 -0.2075 97 H2S2O3,aq 0.43748E-15 -15.3590 0.43748E-15 -15.3590 0.10000E+01 0.0000 107 ZnCl+ 0.34228E-07 -7.4656 0.21393E-07 -7.6697 0.62502E+00 -0.2041 108 ZnCl2,aq 0.46086E-08 -8.3364 0.46086E-08 -8.3364 0.10000E+01 0.0000 109 ZnCl3- 0.39512E-09 -9.4033 0.24504E-09 -9.6108 0.62016E+00 -0.2075 110 ZnO,aq 0.31464E-15 -15.5022 0.31464E-15 -15.5022 0.10000E+01 0.0000 111 ZnOH+ 0.39981E-10 -10.3981 0.24989E-10 -10.6023 0.62502E+00 -0.2041 Charge balance for all species = 0.1436E-04 Component Molality Aq.molality ppm log[A(N)/A(H+)**Z] (total) 1 H+ 0.3038506E-03 0.1612665E+00 0.1552852E+03 0.0000 2 H2O 0.1000000E+01 0.5537303E+02 0.9529954E+06 0.0000 3 Cl- 0.6176078E+00 0.6612858E+00 0.2239717E+05 3.3005 4 SO4-- 0.7267689E-07 -.2369928E-05 -.2174884E+00 -0.5891 5 HCO3- 0.6651079E-03 0.1359554E+00 0.7925008E+04 0.3361 6 HS- 0.8322033E-04 0.2580769E-01 0.8153810E+03 -0.5697 7 H4SiO4 0.1442520E-02 0.1442589E-02 0.1324605E+03 -2.8409 8 Ca++ 0.2585517E-01 0.2984972E-01 0.1142871E+04 4.9372 9 Mg++ 0.7708998E-03 0.8648913E-03 0.2008784E+02 3.4000 10 Fe++ 0.5121072E-09 0.5793760E-09 0.3091088E-04 -2.7750 11 K+ 0.7957234E-01 0.7996756E-01 0.2987197E+04 2.4134 12 Na+ 0.4813320E+00 0.5203949E+00 0.1142929E+05 3.1901 13 Zn++ 0.2741666E-08 0.4201332E-07 0.2623714E-02 -2.0463 14 Cu+ 0.2121090E-13 0.3129497E-09 0.1899646E-04 -10.1659 15 Pb++ 0.7730329E-10 0.9564645E-07 0.1893166E-01 -3.5790 Component Tot moles Aq. moles Solid moles Gas moles 1 H+ 0.1632321E+00 0.1617549E+00 0.1477213E-02 0.0000000E+00 2 H2O 0.5550825E+02 0.5554072E+02 -.3246844E-01 0.0000000E+00 3 Cl- 0.6632884E+00 0.6632884E+00 0.0000000E+00 0.0000000E+00 4 SO4-- -.1473305E-02 -.2377105E-05 -.1470928E-02 0.0000000E+00 5 HCO3- 0.1393221E+00 0.1363671E+00 0.2955004E-02 0.0000000E+00 6 HS- 0.2741622E-01 0.2588584E-01 0.1530379E-02 0.0000000E+00 7 H4SiO4 0.1619053E-01 0.1446957E-02 0.1474357E-01 0.0000000E+00 8 Ca++ 0.2994012E-01 0.2994012E-01 0.0000000E+00 0.0000000E+00 9 Mg++ 0.8675104E-03 0.8675104E-03 0.0000000E+00 0.0000000E+00 10 Fe++ 0.2604518E-04 0.5811306E-09 0.2604460E-04 0.0000000E+00 11 K+ 0.8020973E-01 0.8020973E-01 0.0000000E+00 0.0000000E+00 12 Na+ 0.5219708E+00 0.5219708E+00 0.0000000E+00 0.0000000E+00 13 Zn++ 0.5000000E-05 0.4214055E-07 0.4957859E-05 0.0000000E+00 14 Cu+ 0.5000000E-06 0.3138974E-09 0.4996861E-06 0.0000000E+00 15 Pb++ 0.2000000E-05 0.9593610E-07 0.1904064E-05 0.0000000E+00 Chg. balance for solid moles: 0.1893E-18 Mass of aqueous solution: 0.104993E+04 g Temperature = 115.00 C Pressure = 500.00 bar Mixer frac. = 0.0000000 Log Log Vol Gas or mineral Moles Moles Grams Grams Wt.% (cm3) graphite 0.2955E-02 -2.529 0.3549E-01 -1.450 3.835 0.1566E-01 pyrite 0.2604E-04 -4.584 0.3125E-02 -2.505 0.3377 0.6235E-03 quartz 0.1474E-01 -1.831 0.8858 -0.053 95.72 0.3345 covellite 0.4997E-06 -6.301 0.4777E-04 -4.321 0.5163E-02 0.1021E-04 galena 0.1904E-05 -5.720 0.4555E-03 -3.341 0.4923E-01 0.5996E-04 sphalerite 0.4958E-05 -5.305 0.4830E-03 -3.316 0.5220E-01 0.1181E-03 Partial press. Fugacity coef Log fugacity Gas or Mineral Mole fraction or activity Activity coef Log activity graphite 0.1000E+01 0.1000E+01 1.0000 0.000 pyrite 0.1000E+01 0.1000E+01 1.0000 0.000 quartz 0.1000E+01 0.1000E+01 1.0000 0.000 covellite 0.1000E+01 0.1000E+01 1.0000 0.000 galena 0.1000E+01 0.1000E+01 1.0000 0.000 sphalerite 0.1000E+01 0.1000E+01 1.0000 0.000 Solid products produced: Mass = 0.925395 g Volume = 0.350988 cm3 WARNING: mineral volume may be in error because some mineral densities were not supplied in SOLTHERM. See mineral list in file Skip_Species.txt. Gas composition at saturation ( 3 iterations) ------------------------------------------------- Temperature: 115.0000 deg.C Sat. pressure: 32.7037 bar Gas Mole fraction phi Fugacity Partial P(bar) H2O,gas 0.7782E-01 0.8333 0.2121E+01 0.2545E+01 CO2,gas 0.8815E+00 0.9245 0.2665E+02 0.2883E+02 CH4,gas 0.1817E-03 1.0296 0.6117E-02 0.5942E-02 H2,gas 0.2879E-05 1.0169 0.9573E-04 0.9414E-04 H2S,gas 0.4051E-01 0.8943 0.1185E+01 0.1325E+01 S2,gas 0.1484E-11 1.0000 0.4854E-10 0.4854E-10 CO,gas 0.1644E-07 1.0000 0.5376E-06 0.5376E-06 SO3,gas 0.9204E-31 1.0000 0.3010E-29 0.3010E-29 O2,gas 0.6095E-53 1.0000 0.1993E-51 0.1993E-51 SO2,gas 0.2713E-13 1.0000 0.8872E-12 0.8872E-12 NON-Ideal mixing with H2O, CO2, CH4 Gases ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ The following gases and minerals are presently in matrix or were just added Gas or Mineral Log K Log Q Log(Q/K) Log(Q/K)/S Affinity Log Fugacity 46 graphite -3.36 -3.36 0.00 0.000 0.00000E+00 70 pyrite -20.64 -20.64 0.00 0.000 -0.63100E-11 73 quartz -2.82 -2.82 0.00 0.000 0.00000E+00 102 covellite -19.10 -19.10 0.00 0.000 0.00000E+00 118 galena -11.58 -11.58 0.00 0.000 -0.31550E-11 128 sphalerite -10.05 -10.05 0.00 0.000 0.00000E+00 The following gases and minerals are presently EXCLUDED from matrix (Gases and minerals with log(Q/K) less than -5 are not listed below) Gas or Mineral Log K Log Q Log(Q/K) Log(Q/K)/S Affinity Log Fugacity 1 H2O,gas 2.36 -0.01 -2.37 -2.372 0.42138E+04 0.327 2 CO2,gas -5.82 -7.09 -1.27 -0.424 0.22615E+04 1.426 3 CH4,gas 5.26 0.35 -4.91 -1.228 0.87250E+04 -2.213 4 H2,gas 8.57 1.85 -6.72 -3.839 0.11932E+05 -4.019 5 H2S,gas -5.38 -8.00 -2.63 -1.313 0.46629E+04 0.074 6 S2,gas -6.70 -19.72 -13.01 -2.002 0.23112E+05 -10.314 7 CO,gas 3.74 -5.23 -8.97 -2.760 0.15929E+05 -6.270 8 SO3,gas 16.77 -15.45 -32.22 -8.055 0.57227E+05 -29.521 9 O2,gas 50.67 -3.73 -54.40 -36.266 0.96619E+05 -51.700 10 SO2,gas 1.17 -13.59 -14.75 -3.934 0.26199E+05 -12.052 11 HCl,gas 2.93 -4.13 -7.06 -3.532 0.12545E+05 -7.063 21 aragonite 0.93 -2.16 -3.09 -1.030 0.54904E+04 23 calcite 0.79 -2.16 -2.95 -0.984 0.52451E+04 28 coesite -2.24 -2.82 -0.58 -0.194 0.10314E+04 30 cristobalite -2.39 -2.82 -0.43 -0.142 0.75897E+03 34 diamond -2.94 -3.36 -0.42 -0.121 0.75172E+03 49 halite 1.61 -0.94 -2.55 -1.276 0.45321E+04 56 magnesite 0.56 -3.70 -4.25 -1.418 0.75562E+04 72 pyrrhotiteFe0.875 -5.92 -10.66 -4.74 -1.743 0.84179E+04 81 sulfur -8.90 -9.86 -0.96 -0.296 0.17062E+04 82 sylvite 1.43 -1.72 -3.15 -1.577 0.56016E+04 88 tridymite -2.45 -2.82 -0.37 -0.124 0.66178E+03 98 bornite -85.03 -86.55 -1.52 -0.114 0.27020E+04 100 chalcedony -2.64 -2.82 -0.18 -0.060 0.31892E+03 101 chalcocite -26.63 -28.34 -1.71 -0.427 0.30368E+04 114 chalcopyrite -27.57 -29.88 -2.31 -0.430 0.41039E+04 125 silica-amorphous -1.94 -2.82 -0.88 -0.294 0.15685E+04 129 wurtzite -8.29 -10.05 -1.76 -0.588 0.31311E+04 Calculations done for 115.0000 Deg. C; 500.0000 bar Temperature changed by -5.000 degrees to 110.000 degrees C. Solids and gases carried ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ Test file for CHIM-XPT. Japanese Geothermal Water. Cooling only. See running notes, below. CHIMRUN demo-1 ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ Number of loops used = 7 Loop limit = 470 Temperature = 110.00 C Pressure = 500.00 bar Mixer fraction = 0.0000000 Water: Moles liquid = 0.5568E+02 kg liquid = 0.1003E+01 Moles total = 0.5551E+02 kg total = 0.1000E+01 Activity = 0.9781 Stoichiometric ionic strength = .7750154E+00 Osmotic coef. = 0.9282 True ionic strength = .6466925E+00 Chg. balance for total moles = 0.1440E-04 Max. difference allowed = 0.6633E-04 Log Log Log Species(n) Molality Molality Activity Activity Gamma Gamma 1 H+ 0.31161E-03 -3.5064 0.19851E-03 -3.7022 0.63702E+00 -0.1958 2 H2O 0.97814E+00 -0.0096 0.97814E+00 -0.0096 3 Cl- 0.61910E+00 -0.2082 0.38703E+00 -0.4123 0.62515E+00 -0.2040 4 SO4-- 0.10130E-06 -6.9944 0.13623E-07 -7.8657 0.13449E+00 -0.8713 5 HCO3- 0.67825E-03 -3.1686 0.42673E-03 -3.3698 0.62916E+00 -0.2012 6 HS- 0.79676E-04 -4.0987 0.49836E-04 -4.3025 0.62548E+00 -0.2038 7 H4SiO4 0.13258E-02 -2.8775 0.13258E-02 -2.8775 0.10000E+01 0.0000 8 Ca++ 0.26051E-01 -1.5842 0.33174E-02 -2.4792 0.12734E+00 -0.8950 9 Mg++ 0.77346E-03 -3.1116 0.96223E-04 -4.0167 0.12441E+00 -0.9052 10 Fe++ 0.34747E-09 -9.4591 0.43452E-10 -10.3620 0.12505E+00 -0.9029 11 K+ 0.79606E-01 -1.0991 0.49990E-01 -1.3011 0.62796E+00 -0.2021 12 Na+ 0.48259E+00 -0.3164 0.30007E+00 -0.5228 0.62178E+00 -0.2064 13 Zn++ 0.25902E-08 -8.5867 0.32391E-09 -9.4896 0.12505E+00 -0.9029 14 Cu+ 0.12239E-13 -13.9123 0.76082E-14 -14.1187 0.62164E+00 -0.2065 15 Pb++ 0.61115E-10 -10.2139 0.79160E-11 -11.1015 0.12953E+00 -0.8876 16 HSiO3- 0.17365E-07 -7.7603 0.10856E-07 -7.9643 0.62515E+00 -0.2040 17 Ca(HSiO3)+ 0.13626E-08 -8.8656 0.85670E-09 -9.0672 0.62875E+00 -0.2015 18 Mg(HSiO3)+ 0.46919E-10 -10.3286 0.29500E-10 -10.5302 0.62875E+00 -0.2015 19 NaHSiO3,aq 0.41040E-07 -7.3868 0.41040E-07 -7.3868 0.10000E+01 0.0000 20 CH4,aq 0.16987E-05 -5.7699 0.15452E-05 -5.8110 0.90966E+00 -0.0411 21 C2H6,aq 0.25681E-13 -13.5904 0.23361E-13 -13.6315 0.90966E+00 -0.0411 24 ethanol,aq 0.55228E-18 -18.2578 0.50239E-18 -18.2990 0.90966E+00 -0.0411 25 CO,aq 0.15569E-09 -9.8077 0.15569E-09 -9.8077 0.10000E+01 0.0000 26 CO2,aq 0.13521E+00 -0.8690 0.12300E+00 -0.9101 0.90966E+00 -0.0411 27 CO3-2 0.22794E-08 -8.6422 0.30296E-09 -9.5186 0.13291E+00 -0.8764 28 CaCO3,aq 0.13352E-07 -7.8745 0.13352E-07 -7.8745 0.10000E+01 0.0000 29 Ca(HCO3)+ 0.61722E-04 -4.2096 0.38808E-04 -4.4111 0.62875E+00 -0.2015 30 CaCl+ 0.35645E-02 -2.4480 0.22411E-02 -2.6495 0.62875E+00 -0.2015 31 CaCl2,aq 0.17218E-03 -3.7640 0.17218E-03 -3.7640 0.10000E+01 0.0000 32 CaOH+ 0.32121E-08 -8.4932 0.20196E-08 -8.6947 0.62875E+00 -0.2015 33 CaSO4,aq 0.14343E-07 -7.8434 0.14343E-07 -7.8434 0.10000E+01 0.0000 34 HCl,aq 0.18650E-04 -4.7293 0.18650E-04 -4.7293 0.10000E+01 0.0000 38 Cu+2 0.18344E-17 -17.7365 0.23150E-18 -18.6355 0.12620E+00 -0.8990 39 CuCl+ 0.77250E-18 -18.1121 0.48571E-18 -18.3136 0.62875E+00 -0.2015 40 CuCl2,aq 0.21963E-19 -19.6583 0.21963E-19 -19.6583 0.10000E+01 0.0000 43 CuCl,aq 0.15686E-10 -10.8045 0.15686E-10 -10.8045 0.10000E+01 0.0000 44 CuCl2- 0.15796E-09 -9.8014 0.98751E-10 -10.0055 0.62515E+00 -0.2040 45 CuCl3-2 0.15737E-10 -10.8031 0.20917E-11 -11.6795 0.13291E+00 -0.8764 51 FeCl+ 0.43845E-10 -10.3581 0.27567E-10 -10.5596 0.62875E+00 -0.2015 52 FeCl2,aq 0.69590E-15 -15.1575 0.69590E-15 -15.1575 0.10000E+01 0.0000 54 FeO,aq 0.12362E-18 -18.9079 0.12362E-18 -18.9079 0.10000E+01 0.0000 55 FeOH+ 0.20139E-13 -13.6960 0.12662E-13 -13.8975 0.62875E+00 -0.2015 57 FeO+ 0.48494E-18 -18.3143 0.30491E-18 -18.5158 0.62875E+00 -0.2015 58 FeOH+2 0.58266E-19 -19.2346 0.73529E-20 -20.1335 0.12620E+00 -0.8990 60 HFeO2,aq 0.36101E-19 -19.4425 0.36101E-19 -19.4425 0.10000E+01 0.0000 61 H2,aq 0.40650E-07 -7.3909 0.36978E-07 -7.4321 0.90966E+00 -0.0411 62 KCl,aq 0.36074E-03 -3.4428 0.36074E-03 -3.4428 0.10000E+01 0.0000 63 KHSO4,aq 0.44842E-12 -12.3483 0.44842E-12 -12.3483 0.10000E+01 0.0000 64 KOH,aq 0.19574E-09 -9.7083 0.19574E-09 -9.7083 0.10000E+01 0.0000 65 KSO4- 0.18382E-07 -7.7356 0.11492E-07 -7.9396 0.62515E+00 -0.2040 66 MgCO3,aq 0.87543E-10 -10.0578 0.87543E-10 -10.0578 0.10000E+01 0.0000 67 Mg(HCO3)+ 0.18145E-05 -5.7412 0.11409E-05 -5.9428 0.62875E+00 -0.2015 68 MgCl+ 0.89617E-04 -4.0476 0.56347E-04 -4.2491 0.62875E+00 -0.2015 69 MgOH+ 0.47717E-09 -9.3213 0.30002E-09 -9.5229 0.62875E+00 -0.2015 70 NaCl,aq 0.37803E-01 -1.4225 0.37803E-01 -1.4225 0.10000E+01 0.0000 71 NaOH,aq 0.11553E-08 -8.9373 0.11553E-08 -8.9373 0.10000E+01 0.0000 73 OH- 0.90155E-08 -8.0450 0.56253E-08 -8.2499 0.62396E+00 -0.2048 76 PbCl+ 0.31320E-09 -9.5042 0.19692E-09 -9.7057 0.62875E+00 -0.2015 77 PbCl2,aq 0.45349E-09 -9.3434 0.45349E-09 -9.3434 0.10000E+01 0.0000 78 PbCl3- 0.13365E-09 -9.8740 0.83551E-10 -10.0780 0.62515E+00 -0.2040 79 PbCl4-2 0.62681E-10 -10.2029 0.83311E-11 -11.0793 0.13291E+00 -0.8764 80 PbO,aq 0.77318E-17 -17.1117 0.77318E-17 -17.1117 0.10000E+01 0.0000 82 Pb(HS)2,aq 0.82103E-07 -7.0856 0.82103E-07 -7.0856 0.10000E+01 0.0000 83 Pb(HS)3- 0.75927E-10 -10.1196 0.47466E-10 -10.3236 0.62515E+00 -0.2040 84 H2S,aq 0.25725E-01 -1.5896 0.23401E-01 -1.6308 0.90966E+00 -0.0411 85 S2-2 0.18340E-10 -10.7366 0.24375E-11 -11.6130 0.13291E+00 -0.8764 86 S3-2 0.20232E-10 -10.6940 0.26891E-11 -11.5704 0.13291E+00 -0.8764 87 S3- 0.33285E-08 -8.4777 0.20808E-08 -8.6818 0.62515E+00 -0.2040 88 S4-2 0.14882E-10 -10.8273 0.19780E-11 -11.7038 0.13291E+00 -0.8764 89 S5-2 0.73785E-11 -11.1320 0.98070E-12 -12.0085 0.13291E+00 -0.8764 90 SO2,aq 0.81935E-13 -13.0865 0.81935E-13 -13.0865 0.10000E+01 0.0000 91 SO3-2 0.62651E-15 -15.2031 0.90674E-16 -16.0425 0.14473E+00 -0.8394 92 HSO3- 0.12686E-11 -11.8967 0.79304E-12 -12.1007 0.62515E+00 -0.2040 93 HSO4- 0.42019E-08 -8.3766 0.26642E-08 -8.5744 0.63404E+00 -0.1979 95 S2O3-2 0.31543E-10 -10.5011 0.41924E-11 -11.3775 0.13291E+00 -0.8764 96 HS2O3- 0.28719E-12 -12.5418 0.17954E-12 -12.7458 0.62515E+00 -0.2040 97 H2S2O3,aq 0.54723E-15 -15.2618 0.54723E-15 -15.2618 0.10000E+01 0.0000 107 ZnCl+ 0.26540E-07 -7.5761 0.16687E-07 -7.7776 0.62875E+00 -0.2015 108 ZnCl2,aq 0.36175E-08 -8.4416 0.36175E-08 -8.4416 0.10000E+01 0.0000 109 ZnCl3- 0.31960E-09 -9.4954 0.19980E-09 -9.6994 0.62515E+00 -0.2040 110 ZnO,aq 0.18958E-15 -15.7222 0.18958E-15 -15.7222 0.10000E+01 0.0000 111 ZnOH+ 0.27999E-10 -10.5529 0.17604E-10 -10.7544 0.62875E+00 -0.2015 Charge balance for all species = 0.1436E-04 Component Molality Aq.molality ppm log[A(N)/A(H+)**Z] (total) 1 H+ 0.3116146E-03 0.1612651E+00 0.1552855E+03 0.0000 2 H2O 0.1000000E+01 0.5537304E+02 0.9530059E+06 0.0000 3 Cl- 0.6191024E+00 0.6612831E+00 0.2239732E+05 3.2900 4 SO4-- 0.1012957E-06 -.1568528E-05 -.1439454E+00 -0.4613 5 HCO3- 0.6782549E-03 0.1359532E+00 0.7924968E+04 0.3324 6 HS- 0.7967641E-04 0.2580676E-01 0.8153605E+03 -0.6002 7 H4SiO4 0.1325816E-02 0.1325875E-02 0.1217451E+03 -2.8775 8 Ca++ 0.2605119E-01 0.2984960E-01 0.1142879E+04 4.9253 9 Mg++ 0.7734552E-03 0.8648878E-03 0.2008797E+02 3.3877 10 Fe++ 0.3474707E-09 0.3913366E-09 0.2087882E-04 -2.9575 11 K+ 0.7960649E-01 0.7996724E-01 0.2987217E+04 2.4011 12 Na+ 0.4825899E+00 0.5203928E+00 0.1142937E+05 3.1794 13 Zn++ 0.2590234E-08 0.3309532E-07 0.2066811E-02 -2.0851 14 Cu+ 0.1223895E-13 0.1893981E-09 0.1149684E-04 -10.4165 15 Pb++ 0.6111528E-10 0.8320297E-07 0.1646885E-01 -3.6970 Component Tot moles Aq. moles Solid moles Gas moles 1 H+ 0.1632321E+00 0.1617541E+00 0.1477996E-02 0.0000000E+00 2 H2O 0.5550825E+02 0.5554095E+02 -.3270417E-01 0.0000000E+00 3 Cl- 0.6632884E+00 0.6632884E+00 0.0000000E+00 0.0000000E+00 4 SO4-- -.1473305E-02 -.1573285E-05 -.1471732E-02 0.0000000E+00 5 HCO3- 0.1393221E+00 0.1363655E+00 0.2956611E-02 0.0000000E+00 6 HS- 0.2741622E-01 0.2588502E-01 0.1531205E-02 0.0000000E+00 7 H4SiO4 0.1619053E-01 0.1329896E-02 0.1486063E-01 0.0000000E+00 8 Ca++ 0.2994012E-01 0.2994012E-01 0.0000000E+00 0.0000000E+00 9 Mg++ 0.8675104E-03 0.8675104E-03 0.0000000E+00 0.0000000E+00 10 Fe++ 0.2604518E-04 0.3925233E-09 0.2604479E-04 0.0000000E+00 11 K+ 0.8020973E-01 0.8020973E-01 0.0000000E+00 0.0000000E+00 12 Na+ 0.5219708E+00 0.5219708E+00 0.0000000E+00 0.0000000E+00 13 Zn++ 0.5000000E-05 0.3319568E-07 0.4966804E-05 0.0000000E+00 14 Cu+ 0.5000000E-06 0.1899724E-09 0.4998100E-06 0.0000000E+00 15 Pb++ 0.2000000E-05 0.8345527E-07 0.1916545E-05 0.0000000E+00 Chg. balance for solid moles: 0.7962E-18 Mass of aqueous solution: 0.104993E+04 g Temperature = 110.00 C Pressure = 500.00 bar Mixer frac. = 0.0000000 Log Log Vol Gas or mineral Moles Moles Grams Grams Wt.% (cm3) graphite 0.2957E-02 -2.529 0.3551E-01 -1.450 3.808 0.1567E-01 pyrite 0.2604E-04 -4.584 0.3125E-02 -2.505 0.3351 0.6235E-03 quartz 0.1486E-01 -1.828 0.8928 -0.049 95.75 0.3372 covellite 0.4998E-06 -6.301 0.4779E-04 -4.321 0.5125E-02 0.1022E-04 galena 0.1917E-05 -5.717 0.4585E-03 -3.339 0.4918E-01 0.6035E-04 sphalerite 0.4967E-05 -5.304 0.4839E-03 -3.315 0.5190E-01 0.1183E-03 Partial press. Fugacity coef Log fugacity Gas or Mineral Mole fraction or activity Activity coef Log activity graphite 0.1000E+01 0.1000E+01 1.0000 0.000 pyrite 0.1000E+01 0.1000E+01 1.0000 0.000 quartz 0.1000E+01 0.1000E+01 1.0000 0.000 covellite 0.1000E+01 0.1000E+01 1.0000 0.000 galena 0.1000E+01 0.1000E+01 1.0000 0.000 sphalerite 0.1000E+01 0.1000E+01 1.0000 0.000 Solid products produced: Mass = 0.932451 g Volume = 0.353653 cm3 WARNING: mineral volume may be in error because some mineral densities were not supplied in SOLTHERM. See mineral list in file Skip_Species.txt. Gas composition at saturation ( 3 iterations) ------------------------------------------------- Temperature: 110.0000 deg.C Sat. pressure: 31.5809 bar Gas Mole fraction phi Fugacity Partial P(bar) H2O,gas 0.6824E-01 0.8376 0.1805E+01 0.2155E+01 CO2,gas 0.8907E+00 0.9231 0.2597E+02 0.2813E+02 CH4,gas 0.1327E-03 1.0275 0.4306E-02 0.4190E-02 H2,gas 0.2137E-05 1.0165 0.6860E-04 0.6748E-04 H2S,gas 0.4096E-01 0.8942 0.1157E+01 0.1293E+01 S2,gas 0.1428E-11 1.0000 0.4510E-10 0.4510E-10 CO,gas 0.1184E-07 1.0000 0.3739E-06 0.3739E-06 SO3,gas 0.5217E-31 1.0000 0.1647E-29 0.1647E-29 O2,gas 0.1249E-53 1.0000 0.3943E-52 0.3943E-52 SO2,gas 0.2315E-13 1.0000 0.7313E-12 0.7313E-12 NON-Ideal mixing with H2O, CO2, CH4 Gases ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ The following gases and minerals are presently in matrix or were just added Gas or Mineral Log K Log Q Log(Q/K) Log(Q/K)/S Affinity Log Fugacity 46 graphite -3.43 -3.43 0.00 0.000 -0.77859E-12 70 pyrite -20.77 -20.77 0.00 0.000 0.00000E+00 73 quartz -2.86 -2.86 -0.00 -0.000 0.77859E-12 102 covellite -19.32 -19.32 0.00 0.000 0.00000E+00 118 galena -11.70 -11.70 -0.00 -0.000 0.31144E-11 128 sphalerite -10.09 -10.09 -0.00 -0.000 0.31144E-11 The following gases and minerals are presently EXCLUDED from matrix (Gases and minerals with log(Q/K) less than -5 are not listed below) Gas or Mineral Log K Log Q Log(Q/K) Log(Q/K)/S Affinity Log Fugacity 1 H2O,gas 2.43 -0.01 -2.44 -2.442 0.42822E+04 0.256 2 CO2,gas -5.78 -7.06 -1.28 -0.428 0.22521E+04 1.414 3 CH4,gas 5.25 0.18 -5.06 -1.266 0.88800E+04 -2.366 4 H2,gas 8.67 1.81 -6.86 -3.922 0.12032E+05 -4.164 5 H2S,gas -5.37 -8.00 -2.64 -1.318 0.46211E+04 0.063 6 S2,gas -6.58 -19.62 -13.04 -2.007 0.22870E+05 -10.346 7 CO,gas 3.88 -5.25 -9.13 -2.808 0.16000E+05 -6.427 8 SO3,gas 17.22 -15.26 -32.48 -8.121 0.56949E+05 -29.783 9 O2,gas 51.47 -3.63 -55.10 -36.735 0.96609E+05 -52.404 10 SO2,gas 1.39 -13.44 -14.83 -3.956 0.26009E+05 -12.136 11 HCl,gas 3.08 -4.11 -7.19 -3.597 0.12611E+05 -7.193 21 aragonite 1.00 -2.15 -3.14 -1.048 0.55119E+04 23 calcite 0.86 -2.15 -3.01 -1.002 0.52697E+04 28 coesite -2.27 -2.86 -0.59 -0.196 0.10297E+04 30 cristobalite -2.42 -2.86 -0.44 -0.146 0.76707E+03 34 diamond -3.00 -3.43 -0.43 -0.122 0.74695E+03 49 halite 1.62 -0.94 -2.55 -1.276 0.44745E+04 56 magnesite 0.65 -3.68 -4.34 -1.445 0.76023E+04 72 pyrrhotiteFe0.875 -5.91 -10.82 -4.91 -1.805 0.86039E+04 81 sulfur -8.95 -9.81 -0.87 -0.266 0.15181E+04 82 sylvite 1.42 -1.71 -3.14 -1.569 0.55018E+04 88 tridymite -2.48 -2.86 -0.38 -0.127 0.66658E+03 98 bornite -86.02 -87.96 -1.94 -0.145 0.33981E+04 100 chalcedony -2.68 -2.86 -0.18 -0.061 0.31902E+03 101 chalcocite -26.98 -28.84 -1.86 -0.464 0.32547E+04 114 chalcopyrite -27.81 -30.29 -2.48 -0.461 0.43455E+04 125 silica-amorphous -1.96 -2.86 -0.90 -0.300 0.15785E+04 129 wurtzite -8.30 -10.09 -1.79 -0.595 0.31318E+04 Calculations done for 110.0000 Deg. C; 500.0000 bar Temperature changed by -5.000 degrees to 105.000 degrees C. Solids and gases carried ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ Test file for CHIM-XPT. Japanese Geothermal Water. Cooling only. See running notes, below. CHIMRUN demo-1 ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ Number of loops used = 7 Loop limit = 470 Temperature = 105.00 C Pressure = 500.00 bar Mixer fraction = 0.0000000 Water: Moles liquid = 0.5568E+02 kg liquid = 0.1003E+01 Moles total = 0.5551E+02 kg total = 0.1000E+01 Activity = 0.9781 Stoichiometric ionic strength = .7750126E+00 Osmotic coef. = 0.9299 True ionic strength = .6483406E+00 Chg. balance for total moles = 0.1440E-04 Max. difference allowed = 0.6633E-04 Log Log Log Species(n) Molality Molality Activity Activity Gamma Gamma 1 H+ 0.31871E-03 -3.4966 0.20495E-03 -3.6883 0.64308E+00 -0.1917 2 H2O 0.97810E+00 -0.0096 0.97810E+00 -0.0096 3 Cl- 0.62056E+00 -0.2072 0.39089E+00 -0.4079 0.62990E+00 -0.2007 4 SO4-- 0.14160E-06 -6.8489 0.19649E-07 -7.7067 0.13876E+00 -0.8577 5 HCO3- 0.69071E-03 -3.1607 0.43727E-03 -3.3592 0.63308E+00 -0.1985 6 HS- 0.76093E-04 -4.1187 0.47949E-04 -4.3192 0.63014E+00 -0.2006 7 H4SiO4 0.12153E-02 -2.9153 0.12153E-02 -2.9153 0.10000E+01 0.0000 8 Ca++ 0.26235E-01 -1.5811 0.34562E-02 -2.4614 0.13174E+00 -0.8803 9 Mg++ 0.77583E-03 -3.1102 0.10018E-03 -3.9992 0.12913E+00 -0.8890 10 Fe++ 0.23300E-09 -9.6326 0.30217E-10 -10.5197 0.12969E+00 -0.8871 11 K+ 0.79638E-01 -1.0989 0.50292E-01 -1.2985 0.63150E+00 -0.1996 12 Na+ 0.48382E+00 -0.3153 0.30299E+00 -0.5186 0.62624E+00 -0.2033 13 Zn++ 0.24344E-08 -8.6136 0.31570E-09 -9.5007 0.12969E+00 -0.8871 14 Cu+ 0.69564E-14 -14.1576 0.43556E-14 -14.3610 0.62612E+00 -0.2033 15 Pb++ 0.47783E-10 -10.3207 0.63915E-11 -11.1944 0.13376E+00 -0.8737 16 HSiO3- 0.14462E-07 -7.8398 0.91093E-08 -8.0405 0.62990E+00 -0.2007 17 Ca(HSiO3)+ 0.10951E-08 -8.9605 0.69235E-09 -9.1597 0.63220E+00 -0.1991 18 Mg(HSiO3)+ 0.38490E-10 -10.4147 0.24333E-10 -10.6138 0.63220E+00 -0.1991 19 NaHSiO3,aq 0.36710E-07 -7.4352 0.36710E-07 -7.4352 0.10000E+01 0.0000 20 CH4,aq 0.11682E-05 -5.9325 0.10647E-05 -5.9728 0.91137E+00 -0.0403 21 C2H6,aq 0.13060E-13 -13.8841 0.11902E-13 -13.9244 0.91137E+00 -0.0403 24 ethanol,aq 0.26920E-18 -18.5699 0.24534E-18 -18.6102 0.91137E+00 -0.0403 25 CO,aq 0.10433E-09 -9.9816 0.10433E-09 -9.9816 0.10000E+01 0.0000 26 CO2,aq 0.13520E+00 -0.8690 0.12322E+00 -0.9093 0.91137E+00 -0.0403 27 CO3-2 0.22173E-08 -8.6542 0.30444E-09 -9.5165 0.13730E+00 -0.8623 28 CaCO3,aq 0.12392E-07 -7.9069 0.12392E-07 -7.9069 0.10000E+01 0.0000 29 Ca(HCO3)+ 0.60108E-04 -4.2211 0.38001E-04 -4.4202 0.63220E+00 -0.1991 30 CaCl+ 0.33875E-02 -2.4701 0.21416E-02 -2.6693 0.63220E+00 -0.1991 31 CaCl2,aq 0.16689E-03 -3.7776 0.16689E-03 -3.7776 0.10000E+01 0.0000 32 CaOH+ 0.23574E-08 -8.6276 0.14903E-08 -8.8267 0.63220E+00 -0.1991 33 CaSO4,aq 0.20016E-07 -7.6986 0.20016E-07 -7.6986 0.10000E+01 0.0000 34 HCl,aq 0.18878E-04 -4.7240 0.18878E-04 -4.7240 0.10000E+01 0.0000 38 Cu+2 0.12921E-17 -17.8887 0.16887E-18 -18.7724 0.13070E+00 -0.8837 39 CuCl+ 0.52514E-18 -18.2797 0.33200E-18 -18.4789 0.63220E+00 -0.1991 40 CuCl2,aq 0.14336E-19 -19.8436 0.14336E-19 -19.8436 0.10000E+01 0.0000 43 CuCl,aq 0.93073E-11 -11.0312 0.93073E-11 -11.0312 0.10000E+01 0.0000 44 CuCl2- 0.94129E-10 -10.0263 0.59292E-10 -10.2270 0.62990E+00 -0.2007 45 CuCl3-2 0.96513E-11 -11.0154 0.13251E-11 -11.8778 0.13730E+00 -0.8623 51 FeCl+ 0.28302E-10 -10.5482 0.17892E-10 -10.7473 0.63220E+00 -0.1991 52 FeCl2,aq 0.29371E-15 -15.5321 0.29371E-15 -15.5321 0.10000E+01 0.0000 54 FeO,aq 0.50920E-19 -19.2931 0.50920E-19 -19.2931 0.10000E+01 0.0000 55 FeOH+ 0.10911E-13 -13.9622 0.68977E-14 -14.1613 0.63220E+00 -0.1991 57 FeO+ 0.24805E-18 -18.6055 0.15682E-18 -18.8046 0.63220E+00 -0.1991 58 FeOH+2 0.33332E-19 -19.4771 0.43565E-20 -20.3609 0.13070E+00 -0.8837 60 HFeO2,aq 0.14887E-19 -19.8272 0.14887E-19 -19.8272 0.10000E+01 0.0000 61 H2,aq 0.28059E-07 -7.5519 0.25572E-07 -7.5922 0.91137E+00 -0.0403 62 KCl,aq 0.32854E-03 -3.4834 0.32854E-03 -3.4834 0.10000E+01 0.0000 63 KHSO4,aq 0.49491E-12 -12.3055 0.49491E-12 -12.3055 0.10000E+01 0.0000 64 KOH,aq 0.15391E-09 -9.8127 0.15391E-09 -9.8127 0.10000E+01 0.0000 65 KSO4- 0.24827E-07 -7.6051 0.15638E-07 -7.8058 0.62990E+00 -0.2007 66 MgCO3,aq 0.84010E-10 -10.0757 0.84010E-10 -10.0757 0.10000E+01 0.0000 67 Mg(HCO3)+ 0.17664E-05 -5.7529 0.11167E-05 -5.9521 0.63220E+00 -0.1991 68 MgCl+ 0.87287E-04 -4.0590 0.55183E-04 -4.2582 0.63220E+00 -0.1991 69 MgOH+ 0.36293E-09 -9.4402 0.22945E-09 -9.6393 0.63220E+00 -0.1991 70 NaCl,aq 0.36569E-01 -1.4369 0.36569E-01 -1.4369 0.10000E+01 0.0000 71 NaOH,aq 0.93392E-09 -9.0297 0.93392E-09 -9.0297 0.10000E+01 0.0000 73 OH- 0.72805E-08 -8.1378 0.45899E-08 -8.3382 0.63044E+00 -0.2004 76 PbCl+ 0.23602E-09 -9.6270 0.14922E-09 -9.8262 0.63220E+00 -0.1991 77 PbCl2,aq 0.33109E-09 -9.4801 0.33109E-09 -9.4801 0.10000E+01 0.0000 78 PbCl3- 0.95915E-10 -10.0181 0.60417E-10 -10.2188 0.62990E+00 -0.2007 79 PbCl4-2 0.45118E-10 -10.3457 0.61946E-11 -11.2080 0.13730E+00 -0.8623 80 PbO,aq 0.41205E-17 -17.3851 0.41205E-17 -17.3851 0.10000E+01 0.0000 82 Pb(HS)2,aq 0.71186E-07 -7.1476 0.71186E-07 -7.1476 0.10000E+01 0.0000 83 Pb(HS)3- 0.62462E-10 -10.2044 0.39345E-10 -10.4051 0.62990E+00 -0.2007 84 H2S,aq 0.25729E-01 -1.5896 0.23448E-01 -1.6299 0.91137E+00 -0.0403 85 S2-2 0.17911E-10 -10.7469 0.24591E-11 -11.6092 0.13730E+00 -0.8623 86 S3-2 0.25113E-10 -10.6001 0.34480E-11 -11.4624 0.13730E+00 -0.8623 87 S3- 0.42019E-08 -8.3766 0.26468E-08 -8.5773 0.62990E+00 -0.2007 88 S4-2 0.23374E-10 -10.6313 0.32092E-11 -11.4936 0.13730E+00 -0.8623 89 S5-2 0.14584E-10 -10.8361 0.20023E-11 -11.6985 0.13730E+00 -0.8623 90 SO2,aq 0.70946E-13 -13.1491 0.70946E-13 -13.1491 0.10000E+01 0.0000 91 SO3-2 0.65137E-15 -15.1862 0.96748E-16 -16.0144 0.14853E+00 -0.8282 92 HSO3- 0.12308E-11 -11.9098 0.77528E-12 -12.1105 0.62990E+00 -0.2007 93 HSO4- 0.52831E-08 -8.2771 0.33672E-08 -8.4727 0.63735E+00 -0.1956 95 S2O3-2 0.43355E-10 -10.3630 0.59526E-11 -11.2253 0.13730E+00 -0.8623 96 HS2O3- 0.37650E-12 -12.4242 0.23716E-12 -12.6250 0.62990E+00 -0.2007 97 H2S2O3,aq 0.68149E-15 -15.1665 0.68149E-15 -15.1665 0.10000E+01 0.0000 107 ZnCl+ 0.20402E-07 -7.6903 0.12898E-07 -7.8895 0.63220E+00 -0.1991 108 ZnCl2,aq 0.28217E-08 -8.5495 0.28217E-08 -8.5495 0.10000E+01 0.0000 109 ZnCl3- 0.25778E-09 -9.5888 0.16238E-09 -9.7895 0.62990E+00 -0.2007 110 ZnO,aq 0.11262E-15 -15.9484 0.11262E-15 -15.9484 0.10000E+01 0.0000 111 ZnOH+ 0.19382E-10 -10.7126 0.12253E-10 -10.9118 0.63220E+00 -0.1991 Charge balance for all species = 0.1436E-04 Component Molality Aq.molality ppm log[A(N)/A(H+)**Z] (total) 1 H+ 0.3187059E-03 0.1612639E+00 0.1552859E+03 0.0000 2 H2O 0.1000000E+01 0.5537305E+02 0.9530158E+06 0.0000 3 Cl- 0.6205553E+00 0.6612806E+00 0.2239747E+05 3.2804 4 SO4-- 0.1416045E-06 -.9808080E-06 -.9001065E-01 -0.3300 5 HCO3- 0.6907082E-03 0.1359515E+00 0.7924950E+04 0.3291 6 HS- 0.7609272E-04 0.2580606E-01 0.8153465E+03 -0.6309 7 H4SiO4 0.1215310E-02 0.1215363E-02 0.1115987E+03 -2.9153 8 Ca++ 0.2623498E-01 0.2984949E-01 0.1142886E+04 4.9153 9 Mg++ 0.7758302E-03 0.8648845E-03 0.2008810E+02 3.3775 10 Fe++ 0.2330033E-09 0.2613163E-09 0.1394205E-04 -3.1431 11 K+ 0.7963837E-01 0.7996694E-01 0.2987236E+04 2.3898 12 Na+ 0.4838215E+00 0.5203908E+00 0.1142944E+05 3.1698 13 Zn++ 0.2434364E-08 0.2593542E-07 0.1619690E-02 -2.1240 14 Cu+ 0.6956449E-14 0.1130943E-09 0.6865116E-05 -10.6726 15 Pb++ 0.4778325E-10 0.7200425E-07 0.1425237E-01 -3.8177 Component Tot moles Aq. moles Solid moles Gas moles 1 H+ 0.1632321E+00 0.1617535E+00 0.1478567E-02 0.0000000E+00 2 H2O 0.5550825E+02 0.5554118E+02 -.3292704E-01 0.0000000E+00 3 Cl- 0.6632884E+00 0.6632884E+00 0.0000000E+00 0.0000000E+00 4 SO4-- -.1473305E-02 -.9837859E-06 -.1472321E-02 0.0000000E+00 5 HCO3- 0.1393221E+00 0.1363643E+00 0.2957790E-02 0.0000000E+00 6 HS- 0.2741622E-01 0.2588441E-01 0.1531813E-02 0.0000000E+00 7 H4SiO4 0.1619053E-01 0.1219053E-02 0.1497148E-01 0.0000000E+00 8 Ca++ 0.2994012E-01 0.2994012E-01 0.0000000E+00 0.0000000E+00 9 Mg++ 0.8675104E-03 0.8675104E-03 0.0000000E+00 0.0000000E+00 10 Fe++ 0.2604518E-04 0.2621097E-09 0.2604492E-04 0.0000000E+00 11 K+ 0.8020973E-01 0.8020973E-01 0.0000000E+00 0.0000000E+00 12 Na+ 0.5219708E+00 0.5219708E+00 0.0000000E+00 0.0000000E+00 13 Zn++ 0.5000000E-05 0.2601416E-07 0.4973986E-05 0.0000000E+00 14 Cu+ 0.5000000E-06 0.1134376E-09 0.4998866E-06 0.0000000E+00 15 Pb++ 0.2000000E-05 0.7222287E-07 0.1927777E-05 0.0000000E+00 Chg. balance for solid moles: 0.6107E-18 Mass of aqueous solution: 0.104992E+04 g Temperature = 105.00 C Pressure = 500.00 bar Mixer frac. = 0.0000000 Log Log Vol Gas or mineral Moles Moles Grams Grams Wt.% (cm3) graphite 0.2958E-02 -2.529 0.3552E-01 -1.449 3.783 0.1568E-01 pyrite 0.2604E-04 -4.584 0.3125E-02 -2.505 0.3327 0.6235E-03 quartz 0.1497E-01 -1.825 0.8995 -0.046 95.78 0.3397 covellite 0.4999E-06 -6.301 0.4779E-04 -4.321 0.5089E-02 0.1022E-04 galena 0.1928E-05 -5.715 0.4612E-03 -3.336 0.4911E-01 0.6070E-04 sphalerite 0.4974E-05 -5.303 0.4846E-03 -3.315 0.5160E-01 0.1185E-03 Partial press. Fugacity coef Log fugacity Gas or Mineral Mole fraction or activity Activity coef Log activity graphite 0.1000E+01 0.1000E+01 1.0000 0.000 pyrite 0.1000E+01 0.1000E+01 1.0000 0.000 quartz 0.1000E+01 0.1000E+01 1.0000 0.000 covellite 0.1000E+01 0.1000E+01 1.0000 0.000 galena 0.1000E+01 0.1000E+01 1.0000 0.000 sphalerite 0.1000E+01 0.1000E+01 1.0000 0.000 Solid products produced: Mass = 0.939128 g Volume = 0.356175 cm3 WARNING: mineral volume may be in error because some mineral densities were not supplied in SOLTHERM. See mineral list in file Skip_Species.txt. Gas composition at saturation ( 3 iterations) ------------------------------------------------- Temperature: 105.0000 deg.C Sat. pressure: 30.4033 bar Gas Mole fraction phi Fugacity Partial P(bar) H2O,gas 0.5968E-01 0.8421 0.1528E+01 0.1814E+01 CO2,gas 0.8988E+00 0.9220 0.2520E+02 0.2733E+02 CH4,gas 0.9632E-04 1.0255 0.3003E-02 0.2928E-02 H2,gas 0.1577E-05 1.0161 0.4873E-04 0.4796E-04 H2S,gas 0.4139E-01 0.8944 0.1126E+01 0.1258E+01 S2,gas 0.1366E-11 1.0000 0.4154E-10 0.4154E-10 CO,gas 0.8452E-08 1.0000 0.2570E-06 0.2570E-06 SO3,gas 0.2890E-31 1.0000 0.8787E-30 0.8787E-30 O2,gas 0.2441E-54 1.0000 0.7422E-53 0.7422E-53 SO2,gas 0.1958E-13 1.0000 0.5953E-12 0.5953E-12 NON-Ideal mixing with H2O, CO2, CH4 Gases ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ The following gases and minerals are presently in matrix or were just added Gas or Mineral Log K Log Q Log(Q/K) Log(Q/K)/S Affinity Log Fugacity 46 graphite -3.50 -3.50 0.00 0.000 0.00000E+00 70 pyrite -20.92 -20.92 0.00 0.000 0.00000E+00 73 quartz -2.90 -2.90 0.00 0.000 0.00000E+00 102 covellite -19.56 -19.56 0.00 0.000 -0.61474E-11 118 galena -11.83 -11.83 0.00 0.000 -0.61474E-11 128 sphalerite -10.13 -10.13 -0.00 -0.000 0.30737E-11 The following gases and minerals are presently EXCLUDED from matrix (Gases and minerals with log(Q/K) less than -5 are not listed below) Gas or Mineral Log K Log Q Log(Q/K) Log(Q/K)/S Affinity Log Fugacity 1 H2O,gas 2.51 -0.01 -2.51 -2.515 0.43516E+04 0.184 2 CO2,gas -5.74 -7.04 -1.30 -0.433 0.22453E+04 1.401 3 CH4,gas 5.24 0.02 -5.22 -1.305 0.90348E+04 -2.522 4 H2,gas 8.77 1.76 -7.01 -4.006 0.12132E+05 -4.312 5 H2S,gas -5.36 -8.01 -2.65 -1.324 0.45813E+04 0.051 6 S2,gas -6.45 -19.53 -13.08 -2.012 0.22634E+05 -10.382 7 CO,gas 4.02 -5.27 -9.29 -2.858 0.16073E+05 -6.590 8 SO3,gas 17.68 -15.07 -32.76 -8.189 0.56678E+05 -30.056 9 O2,gas 52.29 -3.54 -55.83 -37.219 0.96603E+05 -53.129 10 SO2,gas 1.62 -13.30 -14.92 -3.980 0.25824E+05 -12.225 11 HCl,gas 3.23 -4.10 -7.33 -3.664 0.12679E+05 -7.328 21 aragonite 1.06 -2.13 -3.20 -1.066 0.55320E+04 23 calcite 0.93 -2.13 -3.06 -1.020 0.52931E+04 28 coesite -2.30 -2.90 -0.59 -0.198 0.10280E+04 30 cristobalite -2.45 -2.90 -0.45 -0.149 0.77534E+03 34 diamond -3.07 -3.50 -0.43 -0.123 0.74225E+03 49 halite 1.63 -0.93 -2.55 -1.276 0.44166E+04 56 magnesite 0.75 -3.67 -4.42 -1.473 0.76476E+04 81 sulfur -9.00 -9.77 -0.77 -0.237 0.13321E+04 82 sylvite 1.41 -1.71 -3.12 -1.561 0.54007E+04 88 tridymite -2.51 -2.90 -0.39 -0.129 0.67138E+03 98 bornite -87.05 -89.42 -2.36 -0.177 0.40880E+04 100 chalcedony -2.71 -2.90 -0.18 -0.061 0.31915E+03 101 chalcocite -27.35 -29.35 -2.00 -0.501 0.34681E+04 114 chalcopyrite -28.06 -30.71 -2.65 -0.493 0.45852E+04 125 silica-amorphous -1.98 -2.90 -0.92 -0.306 0.15889E+04 129 wurtzite -8.32 -10.13 -1.81 -0.603 0.31325E+04 Calculations done for 105.0000 Deg. C; 500.0000 bar Temperature changed by -5.000 degrees to 100.000 degrees C. Solids and gases carried ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ Test file for CHIM-XPT. Japanese Geothermal Water. Cooling only. See running notes, below. CHIMRUN demo-1 ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ Number of loops used = 7 Loop limit = 470 Temperature = 100.00 C Pressure = 500.00 bar Mixer fraction = 0.0000000 Water: Moles liquid = 0.5568E+02 kg liquid = 0.1003E+01 Moles total = 0.5551E+02 kg total = 0.1000E+01 Activity = 0.9781 Stoichiometric ionic strength = .7750098E+00 Osmotic coef. = 0.9315 True ionic strength = .6499354E+00 Chg. balance for total moles = 0.1440E-04 Max. difference allowed = 0.6633E-04 Log Log Log Species(n) Molality Molality Activity Activity Gamma Gamma 1 H+ 0.32508E-03 -3.4880 0.21104E-03 -3.6756 0.64917E+00 -0.1876 2 H2O 0.97806E+00 -0.0096 0.97806E+00 -0.0096 3 Cl- 0.62197E+00 -0.2062 0.39458E+00 -0.4039 0.63440E+00 -0.1976 4 SO4-- 0.19853E-06 -6.7022 0.28406E-07 -7.5466 0.14308E+00 -0.8444 5 HCO3- 0.70240E-03 -3.1534 0.44724E-03 -3.3495 0.63673E+00 -0.1960 6 HS- 0.72486E-04 -4.1397 0.45995E-04 -4.3373 0.63454E+00 -0.1975 7 H4SiO4 0.11111E-02 -2.9543 0.11111E-02 -2.9543 0.10000E+01 0.0000 8 Ca++ 0.26407E-01 -1.5783 0.35969E-02 -2.4441 0.13621E+00 -0.8658 9 Mg++ 0.77803E-03 -3.1090 0.10422E-03 -3.9820 0.13396E+00 -0.8730 10 Fe++ 0.15443E-09 -9.8113 0.20758E-10 -10.6828 0.13442E+00 -0.8715 11 K+ 0.79668E-01 -1.0987 0.50571E-01 -1.2961 0.63477E+00 -0.1974 12 Na+ 0.48503E+00 -0.3142 0.30578E+00 -0.5146 0.63043E+00 -0.2004 13 Zn++ 0.22761E-08 -8.6428 0.30594E-09 -9.5144 0.13442E+00 -0.8715 14 Cu+ 0.38950E-14 -14.4095 0.24552E-14 -14.6099 0.63035E+00 -0.2004 15 Pb++ 0.36950E-10 -10.4324 0.51009E-11 -11.2924 0.13805E+00 -0.8600 16 HSiO3- 0.11985E-07 -7.9214 0.76035E-08 -8.1190 0.63440E+00 -0.1976 17 Ca(HSiO3)+ 0.87682E-09 -9.0571 0.55711E-09 -9.2541 0.63538E+00 -0.1970 18 Mg(HSiO3)+ 0.31473E-10 -10.5021 0.19998E-10 -10.6990 0.63538E+00 -0.1970 19 NaHSiO3,aq 0.32766E-07 -7.4846 0.32766E-07 -7.4846 0.10000E+01 0.0000 20 CH4,aq 0.79912E-06 -6.0974 0.72980E-06 -6.1368 0.91326E+00 -0.0394 21 C2H6,aq 0.65647E-14 -14.1828 0.59953E-14 -14.2222 0.91326E+00 -0.0394 24 ethanol,aq 0.12912E-18 -18.8890 0.11792E-18 -18.9284 0.91326E+00 -0.0394 25 CO,aq 0.69305E-10 -10.1592 0.69305E-10 -10.1592 0.10000E+01 0.0000 26 CO2,aq 0.13519E+00 -0.8691 0.12346E+00 -0.9085 0.91326E+00 -0.0394 27 CO3-2 0.21511E-08 -8.6673 0.30492E-09 -9.5158 0.14175E+00 -0.8485 28 CaCO3,aq 0.11458E-07 -7.9409 0.11458E-07 -7.9409 0.10000E+01 0.0000 29 Ca(HCO3)+ 0.58538E-04 -4.2326 0.37194E-04 -4.4295 0.63538E+00 -0.1970 30 CaCl+ 0.32213E-02 -2.4920 0.20468E-02 -2.6889 0.63538E+00 -0.1970 31 CaCl2,aq 0.16226E-03 -3.7898 0.16226E-03 -3.7898 0.10000E+01 0.0000 32 CaOH+ 0.17175E-08 -8.7651 0.10913E-08 -8.9621 0.63538E+00 -0.1970 33 CaSO4,aq 0.28012E-07 -7.5527 0.28012E-07 -7.5527 0.10000E+01 0.0000 34 HCl,aq 0.19120E-04 -4.7185 0.19120E-04 -4.7185 0.10000E+01 0.0000 38 Cu+2 0.89822E-18 -18.0466 0.12152E-18 -18.9154 0.13529E+00 -0.8687 39 CuCl+ 0.35297E-18 -18.4523 0.22427E-18 -18.6492 0.63538E+00 -0.1970 43 CuCl,aq 0.54478E-11 -11.2638 0.54478E-11 -11.2638 0.10000E+01 0.0000 44 CuCl2- 0.55334E-10 -10.2570 0.35104E-10 -10.4546 0.63440E+00 -0.1976 45 CuCl3-2 0.58476E-11 -11.2330 0.82888E-12 -12.0815 0.14175E+00 -0.8485 51 FeCl+ 0.18083E-10 -10.7427 0.11490E-10 -10.9397 0.63538E+00 -0.1970 52 FeCl2,aq 0.12146E-15 -15.9156 0.12146E-15 -15.9156 0.10000E+01 0.0000 54 FeO,aq 0.20551E-19 -19.6872 0.20551E-19 -19.6872 0.10000E+01 0.0000 55 FeOH+ 0.58231E-14 -14.2348 0.36999E-14 -14.4318 0.63538E+00 -0.1970 57 FeO+ 0.12427E-18 -18.9056 0.78956E-19 -19.1026 0.63538E+00 -0.1970 58 FeOH+2 0.18728E-19 -19.7275 0.25336E-20 -20.5963 0.13529E+00 -0.8687 61 H2,aq 0.19231E-07 -7.7160 0.17563E-07 -7.7554 0.91326E+00 -0.0394 62 KCl,aq 0.29856E-03 -3.5250 0.29856E-03 -3.5250 0.10000E+01 0.0000 63 KHSO4,aq 0.54534E-12 -12.2633 0.54534E-12 -12.2633 0.10000E+01 0.0000 64 KOH,aq 0.12020E-09 -9.9201 0.12020E-09 -9.9201 0.10000E+01 0.0000 65 KSO4- 0.33647E-07 -7.4731 0.21346E-07 -7.6707 0.63440E+00 -0.1976 66 MgCO3,aq 0.80381E-10 -10.0948 0.80381E-10 -10.0948 0.10000E+01 0.0000 67 Mg(HCO3)+ 0.17198E-05 -5.7645 0.10927E-05 -5.9615 0.63538E+00 -0.1970 68 MgCl+ 0.85127E-04 -4.0699 0.54088E-04 -4.2669 0.63538E+00 -0.1970 69 MgOH+ 0.27475E-09 -9.5611 0.17457E-09 -9.7580 0.63538E+00 -0.1970 70 NaCl,aq 0.35362E-01 -1.4515 0.35362E-01 -1.4515 0.10000E+01 0.0000 71 NaOH,aq 0.75062E-09 -9.1246 0.75062E-09 -9.1246 0.10000E+01 0.0000 73 OH- 0.58487E-08 -8.2329 0.37240E-08 -8.4290 0.63672E+00 -0.1960 76 PbCl+ 0.17609E-09 -9.7543 0.11189E-09 -9.9512 0.63538E+00 -0.1970 77 PbCl2,aq 0.23928E-09 -9.6211 0.23928E-09 -9.6211 0.10000E+01 0.0000 78 PbCl3- 0.68183E-10 -10.1663 0.43256E-10 -10.3640 0.63440E+00 -0.1976 79 PbCl4-2 0.32186E-10 -10.4923 0.45622E-11 -11.3408 0.14175E+00 -0.8485 80 PbO,aq 0.21543E-17 -17.6667 0.21543E-17 -17.6667 0.10000E+01 0.0000 82 Pb(HS)2,aq 0.61386E-07 -7.2119 0.61386E-07 -7.2119 0.10000E+01 0.0000 83 Pb(HS)3- 0.51099E-10 -10.2916 0.32418E-10 -10.4892 0.63440E+00 -0.1976 84 H2S,aq 0.25732E-01 -1.5895 0.23500E-01 -1.6289 0.91326E+00 -0.0394 85 S2-2 0.17430E-10 -10.7587 0.24707E-11 -11.6072 0.14175E+00 -0.8485 86 S3-2 0.31173E-10 -10.5062 0.44186E-11 -11.3547 0.14175E+00 -0.8485 87 S3- 0.53269E-08 -8.2735 0.33794E-08 -8.4712 0.63440E+00 -0.1976 88 S4-2 0.36833E-10 -10.4338 0.52210E-11 -11.2822 0.14175E+00 -0.8485 89 S5-2 0.29020E-10 -10.5373 0.41136E-11 -11.3858 0.14175E+00 -0.8485 90 SO2,aq 0.60953E-13 -13.2150 0.60953E-13 -13.2150 0.10000E+01 0.0000 91 SO3-2 0.67428E-15 -15.1712 0.10272E-15 -15.9884 0.15234E+00 -0.8172 92 HSO3- 0.11875E-11 -11.9254 0.75336E-12 -12.1230 0.63440E+00 -0.1976 93 HSO4- 0.66425E-08 -8.1777 0.42537E-08 -8.3712 0.64038E+00 -0.1936 95 S2O3-2 0.59648E-10 -10.2244 0.84550E-11 -11.0729 0.14175E+00 -0.8485 96 HS2O3- 0.49329E-12 -12.3069 0.31295E-12 -12.5045 0.63440E+00 -0.1976 97 H2S2O3,aq 0.84494E-15 -15.0732 0.84494E-15 -15.0732 0.10000E+01 0.0000 107 ZnCl+ 0.15550E-07 -7.8083 0.98804E-08 -8.0052 0.63538E+00 -0.1970 108 ZnCl2,aq 0.21873E-08 -8.6601 0.21873E-08 -8.6601 0.10000E+01 0.0000 109 ZnCl3- 0.20734E-09 -9.6833 0.13154E-09 -9.8810 0.63440E+00 -0.1976 110 ZnO,aq 0.65963E-16 -16.1807 0.65963E-16 -16.1807 0.10000E+01 0.0000 111 ZnOH+ 0.13262E-10 -10.8774 0.84266E-11 -11.0743 0.63538E+00 -0.1970 Charge balance for all species = 0.1436E-04 Component Molality Aq.molality ppm log[A(N)/A(H+)**Z] (total) 1 H+ 0.3250830E-03 0.1612629E+00 0.1552864E+03 0.0000 2 H2O 0.1000000E+01 0.5537306E+02 0.9530251E+06 0.0000 3 Cl- 0.6219674E+00 0.6612782E+00 0.2239760E+05 3.2718 4 SO4-- 0.1985322E-06 -.5336451E-06 -.4897412E-01 -0.1953 5 HCO3- 0.7023985E-03 0.1359502E+00 0.7924945E+04 0.3262 6 HS- 0.7248623E-04 0.2580550E-01 0.8153368E+03 -0.6616 7 H4SiO4 0.1111052E-02 0.1111097E-02 0.1020257E+03 -2.9543 8 Ca++ 0.2640724E-01 0.2984938E-01 0.1142893E+04 4.9072 9 Mg++ 0.7780343E-03 0.8648814E-03 0.2008822E+02 3.3693 10 Fe++ 0.1544265E-09 0.1725157E-09 0.9204343E-05 -3.3315 11 K+ 0.7966805E-01 0.7996665E-01 0.2987254E+04 2.3795 12 Na+ 0.4850267E+00 0.5203889E+00 0.1142951E+05 3.1611 13 Zn++ 0.2276079E-08 0.2023440E-07 0.1263668E-02 -2.1631 14 Cu+ 0.3894968E-14 0.6663301E-10 0.4044836E-05 -10.9343 15 Pb++ 0.3694956E-10 0.6198969E-07 0.1227023E-01 -3.9411 Component Tot moles Aq. moles Solid moles Gas moles 1 H+ 0.1632321E+00 0.1617531E+00 0.1479000E-02 0.0000000E+00 2 H2O 0.5550825E+02 0.5554139E+02 -.3313709E-01 0.0000000E+00 3 Cl- 0.6632884E+00 0.6632884E+00 0.0000000E+00 0.0000000E+00 4 SO4-- -.1473305E-02 -.5352673E-06 -.1472770E-02 0.0000000E+00 5 HCO3- 0.1393221E+00 0.1363634E+00 0.2958688E-02 0.0000000E+00 6 HS- 0.2741622E-01 0.2588394E-01 0.1532277E-02 0.0000000E+00 7 H4SiO4 0.1619053E-01 0.1114475E-02 0.1507605E-01 0.0000000E+00 8 Ca++ 0.2994012E-01 0.2994012E-01 0.0000000E+00 0.0000000E+00 9 Mg++ 0.8675104E-03 0.8675104E-03 0.0000000E+00 0.0000000E+00 10 Fe++ 0.2604518E-04 0.1730401E-09 0.2604500E-04 0.0000000E+00 11 K+ 0.8020973E-01 0.8020973E-01 0.0000000E+00 0.0000000E+00 12 Na+ 0.5219708E+00 0.5219708E+00 0.0000000E+00 0.0000000E+00 13 Zn++ 0.5000000E-05 0.2029591E-07 0.4979704E-05 0.0000000E+00 14 Cu+ 0.5000000E-06 0.6683556E-10 0.4999332E-06 0.0000000E+00 15 Pb++ 0.2000000E-05 0.6217813E-07 0.1937822E-05 0.0000000E+00 Chg. balance for solid moles: -.3303E-18 Mass of aqueous solution: 0.104991E+04 g Temperature = 100.00 C Pressure = 500.00 bar Mixer frac. = 0.0000000 Log Log Vol Gas or mineral Moles Moles Grams Grams Wt.% (cm3) graphite 0.2959E-02 -2.529 0.3553E-01 -1.449 3.759 0.1568E-01 pyrite 0.2605E-04 -4.584 0.3125E-02 -2.505 0.3305 0.6235E-03 quartz 0.1508E-01 -1.822 0.9058 -0.043 95.81 0.3421 covellite 0.4999E-06 -6.301 0.4780E-04 -4.321 0.5056E-02 0.1022E-04 galena 0.1938E-05 -5.713 0.4636E-03 -3.334 0.4904E-01 0.6102E-04 sphalerite 0.4980E-05 -5.303 0.4852E-03 -3.314 0.5132E-01 0.1187E-03 Partial press. Fugacity coef Log fugacity Gas or Mineral Mole fraction or activity Activity coef Log activity graphite 0.1000E+01 0.1000E+01 1.0000 0.000 pyrite 0.1000E+01 0.1000E+01 1.0000 0.000 quartz 0.1000E+01 0.1000E+01 1.0000 0.000 covellite 0.1000E+01 0.1000E+01 1.0000 0.000 galena 0.1000E+01 0.1000E+01 1.0000 0.000 sphalerite 0.1000E+01 0.1000E+01 1.0000 0.000 Solid products produced: Mass = 0.945425 g Volume = 0.358553 cm3 WARNING: mineral volume may be in error because some mineral densities were not supplied in SOLTHERM. See mineral list in file Skip_Species.txt. Gas composition at saturation ( 3 iterations) ------------------------------------------------- Temperature: 100.0000 deg.C Sat. pressure: 29.1763 bar Gas Mole fraction phi Fugacity Partial P(bar) H2O,gas 0.5206E-01 0.8468 0.1286E+01 0.1519E+01 CO2,gas 0.9061E+00 0.9212 0.2435E+02 0.2644E+02 CH4,gas 0.6950E-04 1.0237 0.2076E-02 0.2028E-02 H2,gas 0.1158E-05 1.0157 0.3432E-04 0.3379E-04 H2S,gas 0.4181E-01 0.8949 0.1092E+01 0.1220E+01 S2,gas 0.1300E-11 1.0000 0.3793E-10 0.3793E-10 CO,gas 0.5980E-08 1.0000 0.1745E-06 0.1745E-06 SO3,gas 0.1566E-31 1.0000 0.4568E-30 0.4568E-30 O2,gas 0.4555E-55 1.0000 0.1329E-53 0.1329E-53 SO2,gas 0.1640E-13 1.0000 0.4786E-12 0.4786E-12 NON-Ideal mixing with H2O, CO2, CH4 Gases ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ The following gases and minerals are presently in matrix or were just added Gas or Mineral Log K Log Q Log(Q/K) Log(Q/K)/S Affinity Log Fugacity 46 graphite -3.57 -3.57 0.00 0.000 -0.75827E-12 70 pyrite -21.07 -21.07 0.00 0.000 0.00000E+00 73 quartz -2.94 -2.94 -0.00 -0.000 0.75827E-12 102 covellite -19.80 -19.80 0.00 0.000 -0.60662E-11 118 galena -11.95 -11.95 -0.00 -0.000 0.30331E-11 128 sphalerite -10.18 -10.18 0.00 0.000 0.00000E+00 The following gases and minerals are presently EXCLUDED from matrix (Gases and minerals with log(Q/K) less than -5 are not listed below) Gas or Mineral Log K Log Q Log(Q/K) Log(Q/K)/S Affinity Log Fugacity 1 H2O,gas 2.58 -0.01 -2.59 -2.590 0.44217E+04 0.109 2 CO2,gas -5.70 -7.02 -1.31 -0.437 0.22410E+04 1.387 3 CH4,gas 5.23 -0.15 -5.38 -1.345 0.91892E+04 -2.683 4 H2,gas 8.87 1.71 -7.16 -4.093 0.12231E+05 -4.464 5 H2S,gas -5.35 -8.01 -2.66 -1.330 0.45434E+04 0.038 6 S2,gas -6.33 -19.45 -13.12 -2.018 0.22402E+05 -10.421 7 CO,gas 4.16 -5.29 -9.46 -2.910 0.16148E+05 -6.758 8 SO3,gas 18.15 -14.89 -33.04 -8.260 0.56414E+05 -30.340 9 O2,gas 53.13 -3.44 -56.58 -37.717 0.96601E+05 -53.876 10 SO2,gas 1.85 -13.17 -15.02 -4.005 0.25644E+05 -12.320 11 HCl,gas 3.39 -4.08 -7.47 -3.733 0.12749E+05 -7.467 17 anhydrite -5.00 -9.99 -4.99 -2.493 0.85146E+04 21 aragonite 1.13 -2.12 -3.25 -1.084 0.55508E+04 23 calcite 0.99 -2.12 -3.11 -1.038 0.53152E+04 28 coesite -2.33 -2.94 -0.60 -0.200 0.10262E+04 30 cristobalite -2.48 -2.94 -0.46 -0.153 0.78373E+03 34 diamond -3.14 -3.57 -0.43 -0.123 0.73763E+03 49 halite 1.63 -0.92 -2.55 -1.276 0.43583E+04 56 magnesite 0.85 -3.66 -4.50 -1.502 0.76919E+04 81 sulfur -9.05 -9.72 -0.67 -0.207 0.11483E+04 82 sylvite 1.40 -1.70 -3.10 -1.551 0.52982E+04 88 tridymite -2.54 -2.94 -0.40 -0.132 0.67616E+03 98 bornite -88.12 -90.91 -2.79 -0.209 0.47714E+04 100 chalcedony -2.75 -2.94 -0.19 -0.062 0.31930E+03 101 chalcocite -27.73 -29.88 -2.15 -0.538 0.36770E+04 114 chalcopyrite -28.32 -31.15 -2.82 -0.525 0.48227E+04 125 silica-amorphous -2.00 -2.94 -0.94 -0.312 0.15999E+04 129 wurtzite -8.34 -10.18 -1.84 -0.612 0.31332E+04 Calculations done for 100.0000 Deg. C; 500.0000 bar Temperature changed by -5.000 degrees to 95.000 degrees C. Temperature reached given limit of 100.0000 TEMP = 95.0000 Execution stopped.