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. fCO2,1bar20C is suppressed in THIS RUN. 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. ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ Merapi workup for air saturated water (ASW). Oxygen part already done in Solveq. N2 addition fails. Try a bit of Merapi gas first. ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ Species No. Charge Tot.moles Trial molality Gamma Mixing solution H+ 1 1. 0.60495E-03 0.24514E-03 0.9616 0.48474600E+01 H2O 2 0. 0.55512E+02 0.10000E+01 1.0000 0.39086794E+02 Cl- 3 -1. 0.26656E-04 0.26653E-04 0.9614 0.26556410E+00 SO4-- 4 -2. 0.14150E-03 0.10713E-03 0.9018 0.21503700E+00 HCO3- 5 -1. 0.32559E-03 0.64771E-06 0.9615 0.32549100E+01 HS- 6 -1. -0.32107E-04 0.27759-137 0.9614 0.87892600E+00 Na+ 7 1. 0.10000E-06 0.99992E-07 0.9614 0.00000000E+00 F- 8 -1. 0.18986E-05 0.14235E-05 0.9614 0.17985900E-01 NH4+ 9 1. 0.10000E-49 0.18694-101 0.9615 0.00000000E+00 Chg. balance for total moles = -.6861E-19 Max. difference allowed = 0.2666E-08 Chg. balance for the mixing solution = -.3331E-15 Max. difference allowed = 0.2666E-08 The following parameters were given: ERPC = 0.1000E-11 pH = 0.0000 PFLUID = 1.0000 SLIM = 0.100000E-02 TEMP = 25.0000 SINC = 0.1000E-03 TEMPC = 25.0000 TOTMIX = 0.100000E-03 ENTH = 0.0000 SENTH = 0.0000 DENTH = 0.0000 TOTWAT = 90.0000 SOLMIN = 0.0000E+00 RM = 0.0000 AQGRM = 0.0000 SUPRNT = 0.1000-199 VBOX-1 = 1.0000 RHOFRS = 0.0000 RHOROC = 2.5000 The following options were selected: CONFLG = 1 C = 3 IFRAC = 0 IPUNCH = 2 NLOOP = 400 ISTEP = 2 LIMSOL = 1 LOOC = 0 IENTH = 0 ITREF = 0 IDEAL = 0 IPSAT = 1 INCREM = 0 INCP = 0 MINSOL = 0 NEUT = 0 AWAT = 0 CHGF = 0 Of the derived species, only those with molality > 0.10-199 will appear in the output Species No. Charge Log K(diss) Species No. Charge Log K(diss) CH4,aq 10 0. 5.8930 NaCl,aq 40 0. 0.7770 C2H6,aq 11 0. 12.4490 NaF,aq 41 0. 0.9980 C3H8,aq 12 0. 17.2960 NaOH,aq 42 0. 14.2050 C4H10,aq 13 0. 22.1990 O2,aq 43 0. 69.1580 ethanol,aq 14 0. 16.7320 OH- 44 -1. 13.9950 CO,aq 15 0. 7.1210 HO2- 45 -1. 62.8880 CO2,aq 16 0. -6.3450 H2O2,aq 46 0. 51.2040 CO3-2 17 -2. 10.3290 H2S,aq 47 0. -6.9880 HCN,aq 18 0. 21.4760 S2-2 48 -2. 1.3120 CN- 19 -1. 30.7120 S3-2 49 -2. -10.2330 OCN- 20 -1. 16.5780 S3- 50 -1. -17.6990 SCN- 21 -1. 6.2370 S4-2 51 -2. -21.5580 HCl,aq 22 0. 0.7100 S5-2 52 -2. -32.6630 HClO,aq 23 0. 42.1310 SO2,aq 53 0. 2.9800 ClO- 24 -1. 49.6810 SO3-2 54 -2. 12.0450 HClO2,aq 25 0. 90.2870 HSO3- 55 -1. 4.8400 HF,aq 26 0. -3.1680 HSO4- 56 -1. -1.9790 HF2- 27 -1. -2.5510 HSO5- 57 -1. 51.8660 H2,aq 28 0. 11.5270 S2O3-2 58 -2. -4.7780 NH3,aq 29 0. 9.2410 HS2O3- 59 -1. -6.4630 HNO2,aq 30 0. 62.8880 H2S2O3,aq 60 0. -7.0500 NO2- 31 -1. 66.1130 S2O4-2 61 -2. 14.7190 HNO3,aq 32 0. 86.7600 HS2O4- 62 -1. 12.2260 NO3- 33 -1. 85.4580 H2S2O4,aq 63 0. 11.8600 N2,aq 34 0. 5.7590 S2O5-2 64 -2. 14.4970 N2O2-2 35 -2. 101.5910 S2O6-2 65 -2. 16.8410 HN2O2- 36 -1. 90.5960 S2O8-2 66 -2. 57.0790 H2N2O2,aq 37 0. 83.5590 S3O6-2 67 -2. 7.7880 N2H5+ 38 1. 33.8570 S4O6-2 68 -2. -17.1710 N2H6+2 39 2. 34.8840 S5O6-2 69 -2. -13.2500 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 1.511 0.0000E+00 N2,gas 12 2.572 0.0000E+00 CO2,gas 2 -7.812 0.0000E+00 SO2,gas 13 3.150 0.0000E+00 CH4,gas 3 2.976 0.0000E+00 HF,gas 14 1.111 0.0000E+00 H2,gas 4 8.421 0.0000E+00 HCl,gas 15 6.306 0.0000E+00 H2S,gas 5 -7.901 0.0000E+00 diamond 16 -4.477 0.0000E+00 S2,gas 6 -7.236 0.0000E+00 graphite 17 -4.986 0.0000E+00 CO,gas 7 4.114 0.0000E+00 halite 18 1.572 0.0000E+00 NO2,gas 8 76.516 0.0000E+00 sulfur 19 -10.519 0.0000E+00 SO3,gas 9 23.875 0.0000E+00 mascagnite 20 -0.023 0.0000E+00 O2,gas 10 66.258 0.0000E+00 niter-Na 21 81.636 0.0000E+00 NH3,gas 11 11.038 0.0000E+00 sodium-oxide 22 67.427 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 NO2,gas 6 SO3,gas 6 NH3,gas 6 N2,gas 6 SO2,gas 6 HF,gas 6 HCl,gas 6 ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ Merapi workup for air saturated water (ASW). Oxygen part already done in Solveq. N2 addition fails. Try a bit of Merapi gas first. ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ Number of loops used = 6 Loop limit = 400 Temperature = 25.00 C Pressure = 1.00 bar Mixer fraction = 0.0001000 Water: Moles liquid = 0.5551E+02 kg liquid = 0.1000E+01 Moles total = 0.5551E+02 kg total = 0.1000E+01 Activity = 1.0000 Stoichiometric ionic strength = .4440454E-03 Osmotic coef. = 0.9847 True ionic strength = .3523746E-03 Chg. balance for total moles = -.6861E-19 Max. difference allowed = 0.2666E-08 Log Log Log Species(n) Molality Molality Activity Activity Gamma Gamma 1 H+ 0.24514E-03 -3.6106 0.23573E-03 -3.6276 0.96160E+00 -0.0170 2 H2O 0.99999E+00 0.0000 0.99999E+00 0.0000 3 Cl- 0.26653E-04 -4.5743 0.25625E-04 -4.5913 0.96143E+00 -0.0171 4 SO4-- 0.10713E-03 -3.9701 0.96609E-04 -4.0150 0.90179E+00 -0.0449 5 HCO3- 0.64771E-06 -6.1886 0.62275E-06 -6.2057 0.96145E+00 -0.0171 6 HS- 0.27759-137 -137.5566 0.26688-137 -137.5737 0.96144E+00 -0.0171 7 Na+ 0.99992E-07 -7.0000 0.96135E-07 -7.0171 0.96143E+00 -0.0171 8 F- 0.14235E-05 -5.8467 0.13685E-05 -5.8637 0.96142E+00 -0.0171 9 NH4+ 0.18694-101 -101.7283 0.17974-101 -101.7454 0.96146E+00 -0.0171 10 CH4,aq 0.22012-145 -145.6573 0.22010-145 -145.6574 0.99990E+00 0.0000 15 CO,aq 0.36555E-49 -49.4370 0.36555E-49 -49.4370 0.10000E+01 0.0000 16 CO2,aq 0.32492E-03 -3.4882 0.32488E-03 -3.4883 0.99990E+00 0.0000 17 CO3-2 0.13734E-12 -12.8622 0.12385E-12 -12.9071 0.90175E+00 -0.0449 18 HCN,aq 0.12308-161 -161.9098 0.12308-161 -161.9098 0.10000E+01 0.0000 19 CN- 0.31538-167 -167.5012 0.30322-167 -167.5182 0.96143E+00 -0.0171 20 OCN- 0.13050-120 -120.8844 0.12547-120 -120.9015 0.96143E+00 -0.0171 22 HCl,aq 0.11778E-08 -8.9289 0.11778E-08 -8.9289 0.10000E+01 0.0000 23 HClO,aq 0.13579E-17 -17.8671 0.13579E-17 -17.8671 0.10000E+01 0.0000 24 ClO- 0.16886E-21 -21.7725 0.16235E-21 -21.7896 0.96143E+00 -0.0171 25 HClO2,aq 0.28817E-33 -33.5404 0.28817E-33 -33.5404 0.10000E+01 0.0000 26 HF,aq 0.47498E-06 -6.3233 0.47498E-06 -6.3233 0.10000E+01 0.0000 27 HF2- 0.16331E-12 -12.7870 0.15701E-12 -12.8041 0.96143E+00 -0.0171 28 H2,aq 0.97783E-44 -44.0097 0.97773E-44 -44.0098 0.99990E+00 0.0000 29 NH3,aq 0.43779-107 -107.3587 0.43775-107 -107.3588 0.99990E+00 0.0000 30 HNO2,aq 0.27705E-63 -63.5574 0.27705E-63 -63.5574 0.10000E+01 0.0000 31 NO2- 0.72816E-63 -63.1378 0.70008E-63 -63.1549 0.96143E+00 -0.0171 32 HNO3,aq 0.11307E-54 -54.9467 0.11307E-54 -54.9467 0.10000E+01 0.0000 33 NO3- 0.99991E-50 -50.0000 0.96144E-50 -50.0171 0.96153E+00 -0.0170 34 N2,aq 0.28434-104 -104.5462 0.28431-104 -104.5462 0.99990E+00 0.0000 35 N2O2-2 0.25389-160 -160.5954 0.22895-160 -160.6403 0.90175E+00 -0.0449 36 HN2O2- 0.55492-153 -153.2558 0.53352-153 -153.2729 0.96143E+00 -0.0171 37 H2N2O2,aq 0.13695-149 -149.8634 0.13695-149 -149.8634 0.10000E+01 0.0000 40 NaCl,aq 0.41167E-12 -12.3854 0.41167E-12 -12.3854 0.10000E+01 0.0000 41 NaF,aq 0.13217E-13 -13.8789 0.13217E-13 -13.8789 0.10000E+01 0.0000 42 NaOH,aq 0.25437E-17 -17.5945 0.25437E-17 -17.5945 0.10000E+01 0.0000 43 O2,aq 0.64210E-04 -4.1924 0.64203E-04 -4.1924 0.99990E+00 0.0000 44 OH- 0.44634E-10 -10.3503 0.42912E-10 -10.3674 0.96142E+00 -0.0171 45 HO2- 0.17356E-26 -26.7606 0.16686E-26 -26.7776 0.96143E+00 -0.0171 46 H2O2,aq 0.19001E-18 -18.7212 0.19001E-18 -18.7212 0.10000E+01 0.0000 47 H2S,aq 0.61204-134 -134.2132 0.61198-134 -134.2133 0.99990E+00 0.0000 53 SO2,aq 0.18496E-46 -46.7329 0.18496E-46 -46.7329 0.10000E+01 0.0000 54 SO3-2 0.31772E-48 -48.4980 0.28658E-48 -48.5428 0.90199E+00 -0.0448 55 HSO3- 0.11265E-44 -44.9483 0.10831E-44 -44.9653 0.96143E+00 -0.0171 56 HSO4- 0.22568E-05 -5.6465 0.21699E-05 -5.6636 0.96147E+00 -0.0171 57 HSO5- 0.98015E-27 -27.0087 0.94235E-27 -27.0258 0.96143E+00 -0.0171 58 S2O3-2 0.40427-140 -140.3933 0.36455-140 -140.4382 0.90175E+00 -0.0449 59 HS2O3- 0.43277-142 -142.3637 0.41608-142 -142.3808 0.96143E+00 -0.0171 60 H2S2O3,aq 0.37896-145 -145.4214 0.37896-145 -145.4214 0.10000E+01 0.0000 61 S2O4-2 0.39124-127 -127.4076 0.35281-127 -127.4525 0.90175E+00 -0.0449 62 HS2O4- 0.26917-128 -128.5700 0.25879-128 -128.5870 0.96143E+00 -0.0171 63 H2S2O4,aq 0.14170-131 -131.8486 0.14170-131 -131.8486 0.10000E+01 0.0000 64 S2O5-2 0.19826E-94 -94.7028 0.17878E-94 -94.7477 0.90175E+00 -0.0449 65 S2O6-2 0.27290E-64 -64.5640 0.24609E-64 -64.6089 0.90175E+00 -0.0449 66 S2O8-2 0.14573E-39 -39.8364 0.13142E-39 -39.8813 0.90175E+00 -0.0449 67 S3O6-2 0.58955-164 -164.2295 0.53163-164 -164.2744 0.90175E+00 -0.0449 Charge balance for all species = -.9868E-19 Total fraction of mixing solution added: 0.0001000 Solid products produced: Mass = 0.000000 g Volume = 0.000000 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 ( 0 iterations) ------------------------------------------------- Temperature: 25.0000 deg.C Sat. pressure: 600.0000 bar Gas Mole fraction phi Fugacity Partial P(bar) H2O,gas 0.3338E-66 1.0000 0.3083E-01 0.3083E-01 CO2,gas 0.1031E-66 1.0000 0.9522E-02 0.9522E-02 CH4,gas 0.1968-207 1.0000 0.1818-142 0.1818-142 H2,gas 0.1351-105 1.0000 0.1248E-40 0.1248E-40 H2S,gas 0.5422-198 1.0000 0.5009-133 0.5009-133 S2,gas 0.6815-275 1.0000 0.6296-210 0.6296-210 CO,gas 0.4022-111 1.0000 0.3715E-46 0.3715E-46 NO2,gas 0.1231-125 1.0000 0.1137E-60 0.1137E-60 SO3,gas 0.7750-100 1.0000 0.7159E-35 0.7159E-35 O2,gas 0.1000E+01 1.0000 0.9238E+65 0.9238E+65 NH3,gas 0.7563-174 1.0000 0.6986-109 0.6986-109 N2,gas 0.4734-166 1.0000 0.4373-101 0.4373-101 SO2,gas 0.1354-111 1.0000 0.1250E-46 0.1250E-46 HF,gas 0.2705E-75 1.0000 0.2498E-10 0.2498E-10 NON-Ideal mixing with H2O, CO2, CH4 Gases ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ The following gases and minerals are presently EXCLUDED from matrix (Gases and minerals with log(Q/K) less than -5 are not listed below) Gas or Mineral Log K Log Q Log(Q/K) Log(Q/K)/S Affinity Log Fugacity 1 H2O,gas 1.51 0.00 -1.51 -1.511 0.20614E+04 -1.511 2 CO2,gas -7.81 -9.83 -2.02 -0.674 0.27576E+04 -2.021 3 CH4,gas 2.98 -139.76 -142.74 -35.685 0.19474E+06 -142.740 4 H2,gas 8.42 -32.48 -40.90 -23.374 0.55804E+05 -40.904 5 H2S,gas -7.90 -141.20 -133.30 -66.650 0.18186E+06 -133.300 6 S2,gas -7.24 -217.44 -210.20 -32.339 0.28677E+06 -210.201 7 CO,gas 4.11 -42.32 -46.43 -14.286 0.63344E+05 -46.430 8 NO2,gas 76.52 15.57 -60.94 -13.930 0.83145E+05 -60.944 9 SO3,gas 23.88 -11.27 -35.15 -8.786 0.47948E+05 -35.145 10 O2,gas 66.26 64.97 -1.29 -0.862 0.17633E+04 -1.292 11 NH3,gas 11.04 -98.12 -109.16 -54.578 0.14892E+06 -109.156 12 N2,gas 2.57 -98.79 -101.36 -13.079 0.13828E+06 -101.359 13 SO2,gas 3.15 -43.75 -46.90 -12.507 0.63989E+05 -46.903 14 HF,gas 1.11 -9.49 -10.60 -5.301 0.14465E+05 -10.602 15 HCl,gas 6.31 -8.22 -14.52 -7.262 0.19816E+05 -14.525 Calculations done for 25.0000 Deg. C; 1.0000 bar Mixer fraction: 0.0001000 Fract. of mixing solution added: 0.000100 BITMOL = 0.3909E-02 OLDMOL = 0.5551E+02 New heat: 0.000 New temperature: 25.000 New mixer fraction: 0.0002000 Resulting temperature: 25.000Deg. C Solids and gases carried Charge balance check after fractionation or titration: TBAL = -.4235E-19 ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ Merapi workup for air saturated water (ASW). Oxygen part already done in Solveq. N2 addition fails. Try a bit of Merapi gas first. ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ Number of loops used = 153 Loop limit = 400 Temperature = 25.00 C Pressure = 1.00 bar Mixer fraction = 0.0002000 Water: Moles liquid = 0.5552E+02 kg liquid = 0.1000E+01 Moles total = 0.5552E+02 kg total = 0.1000E+01 Activity = 1.0000 Stoichiometric ionic strength = .7078537E-03 Osmotic coef. = 0.9814 True ionic strength = .5354153E-03 Chg. balance for total moles = -.4235E-19 Max. difference allowed = 0.5321E-08 Log Log Log Species(n) Molality Molality Activity Activity Gamma Gamma 1 H+ 0.37736E-03 -3.4232 0.36114E-03 -3.4423 0.95703E+00 -0.0191 2 H2O 0.99999E+00 0.0000 0.99999E+00 0.0000 3 Cl- 0.53201E-04 -4.2741 0.50902E-04 -4.2933 0.95678E+00 -0.0192 4 SO4-- 0.15796E-03 -3.8015 0.13973E-03 -3.8547 0.88463E+00 -0.0532 5 HCO3- 0.85000E-06 -6.0706 0.81329E-06 -6.0898 0.95681E+00 -0.0192 6 HS- 0.16587E-07 -7.7802 0.15870E-07 -7.7994 0.95679E+00 -0.0192 7 Na+ 0.99984E-07 -7.0001 0.95662E-07 -7.0193 0.95677E+00 -0.0192 8 F- 0.24502E-05 -5.6108 0.23442E-05 -5.6300 0.95676E+00 -0.0192 9 NH4+ 0.99985E-50 -50.0001 0.95667E-50 -50.0192 0.95682E+00 -0.0192 10 CH4,aq 0.11819E-15 -15.9274 0.11817E-15 -15.9275 0.99983E+00 -0.0001 11 C2H6,aq 0.40522E-32 -32.3923 0.40515E-32 -32.3924 0.99983E+00 -0.0001 12 C3H8,aq 0.71090E-47 -47.1482 0.71078E-47 -47.1483 0.99983E+00 -0.0001 13 C4H10,aq 0.10963E-61 -61.9601 0.10961E-61 -61.9602 0.99983E+00 -0.0001 14 ethanol,aq 0.28203E-36 -36.5497 0.28198E-36 -36.5498 0.99983E+00 -0.0001 15 CO,aq 0.16647E-16 -16.7787 0.16647E-16 -16.7787 0.10000E+01 0.0000 16 CO2,aq 0.65013E-03 -3.1870 0.65003E-03 -3.1871 0.99983E+00 -0.0001 17 CO3-2 0.11935E-12 -12.9232 0.10558E-12 -12.9764 0.88459E+00 -0.0533 18 HCN,aq 0.19472E-77 -77.7106 0.19472E-77 -77.7106 0.10000E+01 0.0000 19 CN- 0.32728E-83 -83.4851 0.31313E-83 -83.5043 0.95678E+00 -0.0192 20 OCN- 0.59501E-69 -69.2255 0.56929E-69 -69.2447 0.95678E+00 -0.0192 21 SCN- 0.74779E-70 -70.1262 0.71547E-70 -70.1454 0.95678E+00 -0.0192 22 HCl,aq 0.35844E-08 -8.4456 0.35844E-08 -8.4456 0.10000E+01 0.0000 23 HClO,aq 0.18156E-49 -49.7410 0.18156E-49 -49.7410 0.10000E+01 0.0000 24 ClO- 0.14809E-53 -53.8295 0.14169E-53 -53.8487 0.95678E+00 -0.0192 25 HClO2,aq 0.16929E-97 -97.7714 0.16929E-97 -97.7714 0.10000E+01 0.0000 26 HF,aq 0.12465E-05 -5.9043 0.12465E-05 -5.9043 0.10000E+01 0.0000 27 HF2- 0.73767E-12 -12.1321 0.70579E-12 -12.1513 0.95678E+00 -0.0192 28 H2,aq 0.22257E-11 -11.6525 0.22253E-11 -11.6526 0.99983E+00 -0.0001 29 NH3,aq 0.15211E-55 -55.8178 0.15208E-55 -55.8179 0.99983E+00 -0.0001 30 HNO2,aq 0.81639-109 -109.0881 0.81639-109 -109.0881 0.10000E+01 0.0000 31 NO2- 0.14073-108 -108.8516 0.13465-108 -108.8708 0.95678E+00 -0.0192 32 HNO3,aq 0.14639-132 -132.8345 0.14639-132 -132.8345 0.10000E+01 0.0000 33 NO3- 0.84907-128 -128.0711 0.81249-128 -128.0902 0.95692E+00 -0.0191 34 N2,aq 0.29111E-98 -98.5359 0.29106E-98 -98.5360 0.99983E+00 -0.0001 35 N2O2-2 0.49600-187 -187.3045 0.43876-187 -187.3578 0.88459E+00 -0.0533 36 HN2O2- 0.16372-179 -179.7859 0.15664-179 -179.8051 0.95678E+00 -0.0192 37 H2N2O2,aq 0.61601-176 -176.2104 0.61601-176 -176.2104 0.10000E+01 0.0000 38 N2H5+ 0.49161-130 -130.3084 0.47038-130 -130.3275 0.95682E+00 -0.0192 39 N2H6+2 0.18048-134 -134.7436 0.15964-134 -134.7969 0.88450E+00 -0.0533 40 NaCl,aq 0.81372E-12 -12.0895 0.81372E-12 -12.0895 0.10000E+01 0.0000 41 NaF,aq 0.22529E-13 -13.6473 0.22529E-13 -13.6473 0.10000E+01 0.0000 42 NaOH,aq 0.16522E-17 -17.7819 0.16522E-17 -17.7819 0.10000E+01 0.0000 43 O2,aq 0.12396E-68 -68.9067 0.12394E-68 -68.9068 0.99983E+00 -0.0001 44 OH- 0.29276E-10 -10.5335 0.28010E-10 -10.5527 0.95676E+00 -0.0192 45 HO2- 0.50015E-59 -59.3009 0.47854E-59 -59.3201 0.95678E+00 -0.0192 46 H2O2,aq 0.83483E-51 -51.0784 0.83483E-51 -51.0784 0.10000E+01 0.0000 47 H2S,aq 0.55760E-04 -4.2537 0.55751E-04 -4.2537 0.99983E+00 -0.0001 48 S2-2 0.18536E-16 -16.7320 0.16396E-16 -16.7853 0.88459E+00 -0.0533 49 S3-2 0.49759E-16 -16.3031 0.44016E-16 -16.3564 0.88459E+00 -0.0533 50 S3- 0.56141E-12 -12.2507 0.53715E-12 -12.2699 0.95678E+00 -0.0192 51 S4-2 0.80488E-16 -16.0943 0.71198E-16 -16.1475 0.88459E+00 -0.0533 52 S5-2 0.78450E-16 -16.1054 0.69395E-16 -16.1587 0.88459E+00 -0.0533 53 SO2,aq 0.14291E-13 -13.8449 0.14291E-13 -13.8449 0.10000E+01 0.0000 54 SO3-2 0.10661E-15 -15.9722 0.94341E-16 -16.0253 0.88493E+00 -0.0531 55 HSO3- 0.57091E-12 -12.2434 0.54624E-12 -12.2626 0.95678E+00 -0.0192 56 HSO4- 0.50251E-05 -5.2989 0.48082E-05 -5.3180 0.95684E+00 -0.0192 57 HSO5- 0.95890E-59 -59.0182 0.91746E-59 -59.0374 0.95678E+00 -0.0192 58 S2O3-2 0.54303E-10 -10.2652 0.48035E-10 -10.3184 0.88459E+00 -0.0533 59 HS2O3- 0.87786E-12 -12.0566 0.83993E-12 -12.0758 0.95678E+00 -0.0192 60 H2S2O3,aq 0.11720E-14 -14.9311 0.11720E-14 -14.9311 0.10000E+01 0.0000 61 S2O4-2 0.23090E-29 -29.6366 0.20425E-29 -29.6898 0.88459E+00 -0.0533 62 HS2O4- 0.23990E-30 -30.6200 0.22953E-30 -30.6392 0.95678E+00 -0.0192 63 H2S2O4,aq 0.19254E-33 -33.7155 0.19254E-33 -33.7155 0.10000E+01 0.0000 64 S2O5-2 0.51408E-29 -29.2890 0.45474E-29 -29.3422 0.88459E+00 -0.0533 65 S2O6-2 0.31091E-31 -31.5074 0.27502E-31 -31.5606 0.88459E+00 -0.0533 66 S2O8-2 0.32051E-71 -71.4942 0.28352E-71 -71.5474 0.88459E+00 -0.0533 67 S3O6-2 0.26884E-33 -33.5705 0.23781E-33 -33.6238 0.88459E+00 -0.0533 68 S4O6-2 0.18722E-19 -19.7276 0.16561E-19 -19.7809 0.88459E+00 -0.0533 69 S5O6-2 0.17187E-34 -34.7648 0.15204E-34 -34.8180 0.88459E+00 -0.0533 Charge balance for all species = -.1768E-18 Total fraction of mixing solution added: 0.0002000 Solid products produced: Mass = 0.000000 g Volume = 0.000000 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 ( 1 iterations) ------------------------------------------------- Temperature: 25.0000 deg.C Sat. pressure: 1.8350 bar Gas Mole fraction phi Fugacity Partial P(bar) H2O,gas 0.1762E-01 0.9536 0.3083E-01 0.3233E-01 CO2,gas 0.1033E-01 1.0053 0.1905E-01 0.1895E-01 CH4,gas 0.5221E-13 1.0190 0.9761E-13 0.9580E-13 H2,gas 0.1546E-08 1.0012 0.2840E-08 0.2837E-08 H2S,gas 0.2518E-03 0.9874 0.4563E-03 0.4621E-03 S2,gas 0.5497E-15 1.0000 0.1009E-14 0.1009E-14 CO,gas 0.9219E-14 1.0000 0.1692E-13 0.1692E-13 NO2,gas 0.1211-122 1.0000 0.2222-122 0.2222-122 SO3,gas 0.1324E-34 1.0000 0.2430E-34 0.2430E-34 O2,gas 0.9718E+00 1.0000 0.1783E+01 0.1783E+01 NH3,gas 0.1323E-57 1.0000 0.2427E-57 0.2427E-57 N2,gas 0.2440E-95 1.0000 0.4477E-95 0.4477E-95 SO2,gas 0.5265E-14 1.0000 0.9662E-14 0.9662E-14 HF,gas 0.3573E-10 1.0000 0.6557E-10 0.6557E-10 NON-Ideal mixing with H2O, CO2, CH4 Gases ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ The following gases and minerals are presently EXCLUDED from matrix (Gases and minerals with log(Q/K) less than -5 are not listed below) Gas or Mineral Log K Log Q Log(Q/K) Log(Q/K)/S Affinity Log Fugacity 1 H2O,gas 1.51 0.00 -1.51 -1.511 0.20614E+04 -1.511 2 CO2,gas -7.81 -9.53 -1.72 -0.573 0.23467E+04 -1.720 3 CH4,gas 2.98 -10.03 -13.01 -3.253 0.17750E+05 -13.010 4 H2,gas 8.42 -0.13 -8.55 -4.884 0.11660E+05 -8.547 5 H2S,gas -7.90 -11.24 -3.34 -1.670 0.45577E+04 -3.341 6 S2,gas -7.24 -22.23 -15.00 -2.307 0.20459E+05 -14.996 7 CO,gas 4.11 -9.66 -13.77 -4.237 0.18788E+05 -13.772 8 NO2,gas 76.52 -46.14 -122.65 -28.035 0.16733E+06 -122.653 9 SO3,gas 23.88 -10.74 -34.61 -8.654 0.47224E+05 -34.614 10 O2,gas 66.26 0.25 -66.01 -44.005 0.90052E+05 -66.007 11 NH3,gas 11.04 -46.58 -57.61 -28.807 0.78603E+05 -57.615 12 N2,gas 2.57 -92.78 -95.35 -12.303 0.13008E+06 -95.349 13 SO2,gas 3.15 -10.86 -14.01 -3.737 0.19120E+05 -14.015 14 HF,gas 1.11 -9.07 -10.18 -5.092 0.13893E+05 -10.183 15 HCl,gas 6.31 -7.74 -14.04 -7.021 0.19157E+05 -14.042 17 graphite -4.99 -9.78 -4.80 -1.371 0.65449E+04 19 sulfur -10.52 -11.12 -0.60 -0.184 0.81467E+03 Calculations done for 25.0000 Deg. C; 1.0000 bar Mixer fraction: 0.0002000 Fract. of mixing solution added: 0.000100 BITMOL = 0.3909E-02 OLDMOL = 0.5552E+02 New heat: 0.000 New temperature: 25.000 New mixer fraction: 0.0003000 Resulting temperature: 25.000Deg. C Solids and gases carried Charge balance check after fractionation or titration: TBAL = -.1245E-18 ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ Merapi workup for air saturated water (ASW). Oxygen part already done in Solveq. N2 addition fails. Try a bit of Merapi gas first. ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ Number of loops used = 6 Loop limit = 400 Temperature = 25.00 C Pressure = 1.00 bar Mixer fraction = 0.0003000 Water: Moles liquid = 0.5552E+02 kg liquid = 0.1000E+01 Moles total = 0.5552E+02 kg total = 0.1000E+01 Activity = 1.0000 Stoichiometric ionic strength = .9716248E-03 Osmotic coef. = 0.9787 True ionic strength = .6244242E-03 Chg. balance for total moles = -.1245E-18 Max. difference allowed = 0.7977E-08 Log Log Log Species(n) Molality Molality Activity Activity Gamma Gamma 1 H+ 0.44650E-03 -3.3502 0.42646E-03 -3.3701 0.95512E+00 -0.0199 2 H2O 0.99998E+00 0.0000 0.99998E+00 0.0000 3 Cl- 0.79745E-04 -4.0983 0.76143E-04 -4.1184 0.95483E+00 -0.0201 4 SO4-- 0.17783E-03 -3.7500 0.15605E-03 -3.8067 0.87753E+00 -0.0567 5 HCO3- 0.10819E-05 -5.9658 0.10331E-05 -5.9859 0.95486E+00 -0.0201 6 HS- 0.36247E-07 -7.4407 0.34610E-07 -7.4608 0.95483E+00 -0.0201 7 Na+ 0.99976E-07 -7.0001 0.95459E-07 -7.0202 0.95482E+00 -0.0201 8 F- 0.34351E-05 -5.4641 0.32799E-05 -5.4841 0.95481E+00 -0.0201 9 NH4+ 0.99977E-50 -50.0001 0.95465E-50 -50.0202 0.95487E+00 -0.0201 10 CH4,aq 0.29320E-15 -15.5328 0.29314E-15 -15.5329 0.99977E+00 -0.0001 11 C2H6,aq 0.21991E-31 -31.6578 0.21986E-31 -31.6579 0.99977E+00 -0.0001 12 C3H8,aq 0.84392E-46 -46.0737 0.84373E-46 -46.0738 0.99977E+00 -0.0001 13 C4H10,aq 0.28469E-60 -60.5456 0.28462E-60 -60.5457 0.99977E+00 -0.0001 14 ethanol,aq 0.13496E-35 -35.8698 0.13493E-35 -35.8699 0.99977E+00 -0.0001 15 CO,aq 0.28317E-16 -16.5480 0.28317E-16 -16.5480 0.10000E+01 0.0000 16 CO2,aq 0.97527E-03 -3.0109 0.97505E-03 -3.0110 0.99977E+00 -0.0001 17 CO3-2 0.12943E-12 -12.8880 0.11357E-12 -12.9447 0.87748E+00 -0.0568 18 HCN,aq 0.27991E-77 -77.5530 0.27991E-77 -77.5530 0.10000E+01 0.0000 19 CN- 0.39922E-83 -83.3988 0.38119E-83 -83.4189 0.95483E+00 -0.0201 20 OCN- 0.64003E-69 -69.1938 0.61112E-69 -69.2139 0.95483E+00 -0.0201 21 SCN- 0.20715E-69 -69.6837 0.19780E-69 -69.7038 0.95483E+00 -0.0201 22 HCl,aq 0.63315E-08 -8.1985 0.63315E-08 -8.1985 0.10000E+01 0.0000 23 HClO,aq 0.28281E-49 -49.5485 0.28281E-49 -49.5485 0.10000E+01 0.0000 24 ClO- 0.19574E-53 -53.7083 0.18690E-53 -53.7284 0.95483E+00 -0.0201 25 HClO2,aq 0.23253E-97 -97.6335 0.23253E-97 -97.6335 0.10000E+01 0.0000 26 HF,aq 0.20594E-05 -5.6863 0.20594E-05 -5.6863 0.10000E+01 0.0000 27 HF2- 0.17087E-11 -11.7673 0.16315E-11 -11.7874 0.95483E+00 -0.0201 28 H2,aq 0.25241E-11 -11.5979 0.25235E-11 -11.5980 0.99977E+00 -0.0001 29 NH3,aq 0.12855E-55 -55.8909 0.12852E-55 -55.8910 0.99977E+00 -0.0001 30 HNO2,aq 0.47307-109 -109.3251 0.47307-109 -109.3251 0.10000E+01 0.0000 31 NO2- 0.69203-109 -109.1599 0.66077-109 -109.1799 0.95483E+00 -0.0201 32 HNO3,aq 0.74802-133 -133.1261 0.74802-133 -133.1261 0.10000E+01 0.0000 33 NO3- 0.36816-128 -128.4340 0.35159-128 -128.4540 0.95499E+00 -0.0200 34 N2,aq 0.14256E-98 -98.8460 0.14253E-98 -98.8461 0.99977E+00 -0.0001 35 N2O2-2 0.15485-187 -187.8101 0.13587-187 -187.8669 0.87748E+00 -0.0568 36 HN2O2- 0.59991-180 -180.2219 0.57281-180 -180.2420 0.95483E+00 -0.0201 37 H2N2O2,aq 0.26600-176 -176.5751 0.26600-176 -176.5751 0.10000E+01 0.0000 38 N2H5+ 0.36632-130 -130.4361 0.34979-130 -130.4562 0.95487E+00 -0.0201 39 N2H6+2 0.15977-134 -134.7965 0.14018-134 -134.8533 0.87737E+00 -0.0568 40 NaCl,aq 0.12146E-11 -11.9156 0.12146E-11 -11.9156 0.10000E+01 0.0000 41 NaF,aq 0.31454E-13 -13.5023 0.31454E-13 -13.5023 0.10000E+01 0.0000 42 NaOH,aq 0.13961E-17 -17.8551 0.13961E-17 -17.8551 0.10000E+01 0.0000 43 O2,aq 0.96398E-69 -69.0159 0.96376E-69 -69.0160 0.99977E+00 -0.0001 44 OH- 0.24843E-10 -10.6048 0.23720E-10 -10.6249 0.95481E+00 -0.0201 45 HO2- 0.37426E-59 -59.4268 0.35735E-59 -59.4469 0.95483E+00 -0.0201 46 H2O2,aq 0.73616E-51 -51.1330 0.73616E-51 -51.1330 0.10000E+01 0.0000 47 H2S,aq 0.14361E-03 -3.8428 0.14358E-03 -3.8429 0.99977E+00 -0.0001 48 S2-2 0.78373E-16 -16.1058 0.68771E-16 -16.1626 0.87748E+00 -0.0568 49 S3-2 0.47779E-15 -15.3208 0.41925E-15 -15.3775 0.87748E+00 -0.0568 50 S3- 0.59419E-11 -11.2261 0.56735E-11 -11.2462 0.95483E+00 -0.0201 51 S4-2 0.17552E-14 -14.7557 0.15401E-14 -14.8124 0.87748E+00 -0.0568 52 S5-2 0.38850E-14 -14.4106 0.34090E-14 -14.4674 0.87748E+00 -0.0568 53 SO2,aq 0.25237E-13 -13.5980 0.25237E-13 -13.5980 0.10000E+01 0.0000 54 SO3-2 0.13610E-15 -15.8662 0.11948E-15 -15.9227 0.87787E+00 -0.0566 55 HSO3- 0.85552E-12 -12.0678 0.81688E-12 -12.0878 0.95483E+00 -0.0201 56 HSO4- 0.66402E-05 -5.1778 0.63407E-05 -5.1979 0.95490E+00 -0.0200 57 HSO5- 0.11174E-58 -58.9518 0.10669E-58 -58.9719 0.95483E+00 -0.0201 58 S2O3-2 0.15744E-09 -9.8029 0.13815E-09 -9.8596 0.87748E+00 -0.0568 59 HS2O3- 0.29875E-11 -11.5247 0.28525E-11 -11.5448 0.95483E+00 -0.0201 60 H2S2O3,aq 0.47001E-14 -14.3279 0.47001E-14 -14.3279 0.10000E+01 0.0000 61 S2O4-2 0.59034E-29 -29.2289 0.51801E-29 -29.2857 0.87748E+00 -0.0568 62 HS2O4- 0.71993E-30 -30.1427 0.68741E-30 -30.1628 0.95483E+00 -0.0201 63 H2S2O4,aq 0.68091E-33 -33.1669 0.68091E-33 -33.1669 0.10000E+01 0.0000 64 S2O5-2 0.11590E-28 -28.9359 0.10170E-28 -28.9927 0.87748E+00 -0.0568 65 S2O6-2 0.61812E-31 -31.2089 0.54238E-31 -31.2657 0.87748E+00 -0.0568 66 S2O8-2 0.49549E-71 -71.3050 0.43478E-71 -71.3617 0.87748E+00 -0.0568 67 S3O6-2 0.12138E-32 -32.9159 0.10651E-32 -32.9726 0.87748E+00 -0.0568 68 S4O6-2 0.19196E-18 -18.7168 0.16844E-18 -18.7735 0.87748E+00 -0.0568 69 S5O6-2 0.40021E-33 -33.3977 0.35118E-33 -33.4545 0.87748E+00 -0.0568 Charge balance for all species = -.4973E-18 Total fraction of mixing solution added: 0.0003000 Solid products produced: Mass = 0.000000 g Volume = 0.000000 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 ( 1 iterations) ------------------------------------------------- Temperature: 25.0000 deg.C Sat. pressure: 1.4483 bar Gas Mole fraction phi Fugacity Partial P(bar) H2O,gas 0.2204E-01 0.9660 0.3083E-01 0.3192E-01 CO2,gas 0.1973E-01 1.0001 0.2858E-01 0.2858E-01 CH4,gas 0.1654E-12 1.0108 0.2421E-12 0.2396E-12 H2,gas 0.2222E-08 1.0010 0.3221E-08 0.3218E-08 H2S,gas 0.8195E-03 0.9900 0.1175E-02 0.1187E-02 S2,gas 0.3592E-14 1.0000 0.5202E-14 0.5202E-14 CO,gas 0.1987E-13 1.0000 0.2878E-13 0.2878E-13 NO2,gas 0.8347-123 1.0000 0.1209-122 0.1209-122 SO3,gas 0.2613E-34 1.0000 0.3785E-34 0.3785E-34 O2,gas 0.9574E+00 1.0000 0.1387E+01 0.1387E+01 NH3,gas 0.1416E-57 1.0000 0.2051E-57 0.2051E-57 N2,gas 0.1514E-95 1.0000 0.2192E-95 0.2192E-95 SO2,gas 0.1178E-13 1.0000 0.1706E-13 0.1706E-13 HF,gas 0.7479E-10 1.0000 0.1083E-09 0.1083E-09 NON-Ideal mixing with H2O, CO2, CH4 Gases ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ The following gases and minerals are presently EXCLUDED from matrix (Gases and minerals with log(Q/K) less than -5 are not listed below) Gas or Mineral Log K Log Q Log(Q/K) Log(Q/K)/S Affinity Log Fugacity 1 H2O,gas 1.51 0.00 -1.51 -1.511 0.20614E+04 -1.511 2 CO2,gas -7.81 -9.36 -1.54 -0.515 0.21064E+04 -1.544 3 CH4,gas 2.98 -9.64 -12.62 -3.154 0.17212E+05 -12.616 4 H2,gas 8.42 -0.07 -8.49 -4.853 0.11585E+05 -8.492 5 H2S,gas -7.90 -10.83 -2.93 -1.465 0.39972E+04 -2.930 6 S2,gas -7.24 -21.52 -14.28 -2.198 0.19487E+05 -14.284 7 CO,gas 4.11 -9.43 -13.54 -4.166 0.18474E+05 -13.541 8 NO2,gas 76.52 -46.40 -122.92 -28.095 0.16769E+06 -122.918 9 SO3,gas 23.88 -10.55 -34.42 -8.605 0.46961E+05 -34.422 10 O2,gas 66.26 0.14 -66.12 -44.077 0.90201E+05 -66.116 11 NH3,gas 11.04 -46.65 -57.69 -28.844 0.78703E+05 -57.688 12 N2,gas 2.57 -93.09 -95.66 -12.343 0.13051E+06 -95.659 13 SO2,gas 3.15 -10.62 -13.77 -3.671 0.18783E+05 -13.768 14 HF,gas 1.11 -8.85 -9.97 -4.983 0.13595E+05 -9.965 15 HCl,gas 6.31 -7.49 -13.79 -6.897 0.18820E+05 -13.794 17 graphite -4.99 -9.50 -4.51 -1.289 0.61556E+04 19 sulfur -10.52 -10.76 -0.24 -0.074 0.32869E+03 Calculations done for 25.0000 Deg. C; 1.0000 bar Mixer fraction: 0.0003000 Fract. of mixing solution added: 0.000100 BITMOL = 0.3909E-02 OLDMOL = 0.5552E+02 New heat: 0.000 New temperature: 25.000 New mixer fraction: 0.0004000 Resulting temperature: 25.000Deg. C Solids and gases carried Charge balance check after fractionation or titration: TBAL = -.2202E-18 ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ Merapi workup for air saturated water (ASW). Oxygen part already done in Solveq. N2 addition fails. Try a bit of Merapi gas first. ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ Number of loops used = 6 Loop limit = 400 Temperature = 25.00 C Pressure = 1.00 bar Mixer fraction = 0.0004000 Water: Moles liquid = 0.5553E+02 kg liquid = 0.1000E+01 Moles total = 0.5552E+02 kg total = 0.1000E+01 Activity = 1.0000 Stoichiometric ionic strength = .1235359E-02 Osmotic coef. = 0.9764 True ionic strength = .7128654E-03 Chg. balance for total moles = -.2202E-18 Max. difference allowed = 0.1063E-07 Log Log Log Species(n) Molality Molality Activity Activity Gamma Gamma 1 H+ 0.51526E-03 -3.2880 0.49123E-03 -3.3087 0.95337E+00 -0.0207 2 H2O 0.99997E+00 0.0000 0.99997E+00 0.0000 3 Cl- 0.10628E-03 -3.9735 0.10129E-03 -3.9944 0.95304E+00 -0.0209 4 SO4-- 0.19750E-03 -3.7044 0.17203E-03 -3.7644 0.87105E+00 -0.0600 5 HCO3- 0.12547E-05 -5.9015 0.11958E-05 -5.9223 0.95307E+00 -0.0209 6 HS- 0.50808E-07 -7.2941 0.48422E-07 -7.3150 0.95304E+00 -0.0209 7 Na+ 0.99968E-07 -7.0001 0.95272E-07 -7.0210 0.95302E+00 -0.0209 8 F- 0.43167E-05 -5.3648 0.41139E-05 -5.3857 0.95301E+00 -0.0209 9 NH4+ 0.99969E-50 -50.0001 0.95279E-50 -50.0210 0.95308E+00 -0.0209 10 CH4,aq 0.43072E-15 -15.3658 0.43059E-15 -15.3659 0.99971E+00 -0.0001 11 C2H6,aq 0.46317E-31 -31.3343 0.46304E-31 -31.3344 0.99971E+00 -0.0001 12 C3H8,aq 0.25485E-45 -45.5937 0.25478E-45 -45.5938 0.99971E+00 -0.0001 13 C4H10,aq 0.12326E-59 -59.9092 0.12323E-59 -59.9093 0.99971E+00 -0.0001 14 ethanol,aq 0.27746E-35 -35.5568 0.27738E-35 -35.5569 0.99971E+00 -0.0001 15 CO,aq 0.38680E-16 -16.4125 0.38680E-16 -16.4125 0.10000E+01 0.0000 16 CO2,aq 0.13004E-02 -2.8859 0.13000E-02 -2.8860 0.99971E+00 -0.0001 17 CO3-2 0.13103E-12 -12.8826 0.11412E-12 -12.9426 0.87099E+00 -0.0600 18 HCN,aq 0.33129E-77 -77.4798 0.33129E-77 -77.4798 0.10000E+01 0.0000 19 CN- 0.41097E-83 -83.3862 0.39167E-83 -83.4071 0.95304E+00 -0.0209 20 OCN- 0.64310E-69 -69.1917 0.61290E-69 -69.2126 0.95304E+00 -0.0209 21 SCN- 0.33544E-69 -69.4744 0.31969E-69 -69.4953 0.95304E+00 -0.0209 22 HCl,aq 0.97021E-08 -8.0131 0.97021E-08 -8.0131 0.10000E+01 0.0000 23 HClO,aq 0.42299E-49 -49.3737 0.42299E-49 -49.3737 0.10000E+01 0.0000 24 ClO- 0.25464E-53 -53.5941 0.24268E-53 -53.6150 0.95304E+00 -0.0209 25 HClO2,aq 0.33947E-97 -97.4692 0.33947E-97 -97.4692 0.10000E+01 0.0000 26 HF,aq 0.29754E-05 -5.5265 0.29754E-05 -5.5265 0.10000E+01 0.0000 27 HF2- 0.31023E-11 -11.5083 0.29566E-11 -11.5292 0.95304E+00 -0.0209 28 H2,aq 0.25861E-11 -11.5874 0.25854E-11 -11.5875 0.99971E+00 -0.0001 29 NH3,aq 0.11139E-55 -55.9532 0.11135E-55 -55.9533 0.99971E+00 -0.0001 30 HNO2,aq 0.38117-109 -109.4189 0.38117-109 -109.4189 0.10000E+01 0.0000 31 NO2- 0.48497-109 -109.3143 0.46220-109 -109.3352 0.95304E+00 -0.0209 32 HNO3,aq 0.58828-133 -133.2304 0.58828-133 -133.2304 0.10000E+01 0.0000 33 NO3- 0.25183-128 -128.5989 0.24005-128 -128.6197 0.95322E+00 -0.0208 34 N2,aq 0.99535E-99 -99.0020 0.99506E-99 -99.0022 0.99971E+00 -0.0001 35 N2O2-2 0.80115-188 -188.0963 0.69779-188 -188.1563 0.87099E+00 -0.0600 36 HN2O2- 0.35555-180 -180.4491 0.33886-180 -180.4700 0.95304E+00 -0.0209 37 H2N2O2,aq 0.18126-176 -176.7417 0.18126-176 -176.7417 0.10000E+01 0.0000 38 N2H5+ 0.30978-130 -130.5089 0.29524-130 -130.5298 0.95308E+00 -0.0209 39 N2H6+2 0.15650-134 -134.8055 0.13629-134 -134.8655 0.87087E+00 -0.0600 40 NaCl,aq 0.16127E-11 -11.7925 0.16127E-11 -11.7925 0.10000E+01 0.0000 41 NaF,aq 0.39375E-13 -13.4048 0.39375E-13 -13.4048 0.10000E+01 0.0000 42 NaOH,aq 0.12097E-17 -17.9173 0.12097E-17 -17.9173 0.10000E+01 0.0000 43 O2,aq 0.91845E-69 -69.0369 0.91819E-69 -69.0371 0.99971E+00 -0.0001 44 OH- 0.21607E-10 -10.6654 0.20592E-10 -10.6863 0.95301E+00 -0.0209 45 HO2- 0.31773E-59 -59.4979 0.30281E-59 -59.5188 0.95304E+00 -0.0209 46 H2O2,aq 0.71854E-51 -51.1435 0.71854E-51 -51.1435 0.10000E+01 0.0000 47 H2S,aq 0.23145E-03 -3.6355 0.23138E-03 -3.6357 0.99971E+00 -0.0001 48 S2-2 0.15085E-15 -15.8215 0.13139E-15 -15.8814 0.87099E+00 -0.0600 49 S3-2 0.14466E-14 -14.8396 0.12600E-14 -14.8996 0.87099E+00 -0.0600 50 S3- 0.20360E-10 -10.6912 0.19404E-10 -10.7121 0.95304E+00 -0.0209 51 S4-2 0.83592E-14 -14.0778 0.72807E-14 -14.1378 0.87099E+00 -0.0600 52 S5-2 0.29105E-13 -13.5360 0.25350E-13 -13.5960 0.87099E+00 -0.0600 53 SO2,aq 0.37821E-13 -13.4223 0.37821E-13 -13.4223 0.10000E+01 0.0000 54 SO3-2 0.15485E-15 -15.8101 0.13494E-15 -15.8698 0.87143E+00 -0.0598 55 HSO3- 0.11151E-11 -11.9527 0.10628E-11 -11.9736 0.95304E+00 -0.0209 56 HSO4- 0.84481E-05 -5.0732 0.80520E-05 -5.0941 0.95311E+00 -0.0209 57 HSO5- 0.13876E-58 -58.8577 0.13224E-58 -58.8786 0.95304E+00 -0.0209 58 S2O3-2 0.28180E-09 -9.5501 0.24545E-09 -9.6100 0.87099E+00 -0.0600 59 HS2O3- 0.61254E-11 -11.2129 0.58378E-11 -11.2338 0.95304E+00 -0.0209 60 H2S2O3,aq 0.11080E-13 -13.9555 0.11080E-13 -13.9555 0.10000E+01 0.0000 61 S2O4-2 0.10314E-28 -28.9866 0.89830E-29 -29.0466 0.87099E+00 -0.0600 62 HS2O4- 0.14408E-29 -29.8414 0.13731E-29 -29.8623 0.95304E+00 -0.0209 63 H2S2O4,aq 0.15667E-32 -32.8050 0.15667E-32 -32.8050 0.10000E+01 0.0000 64 S2O5-2 0.19764E-28 -28.7041 0.17214E-28 -28.7641 0.87099E+00 -0.0600 65 S2O6-2 0.10288E-30 -30.9877 0.89610E-31 -31.0476 0.87099E+00 -0.0600 66 S2O8-2 0.78573E-71 -71.1047 0.68436E-71 -71.1647 0.87099E+00 -0.0600 67 S3O6-2 0.31780E-32 -32.4978 0.27680E-32 -32.5578 0.87099E+00 -0.0600 68 S4O6-2 0.79060E-18 -18.1020 0.68860E-18 -18.1620 0.87099E+00 -0.0600 69 S5O6-2 0.25928E-32 -32.5862 0.22583E-32 -32.6462 0.87099E+00 -0.0600 Charge balance for all species = -.8397E-18 Total fraction of mixing solution added: 0.0004000 Solid products produced: Mass = 0.000000 g Volume = 0.000000 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 ( 1 iterations) ------------------------------------------------- Temperature: 25.0000 deg.C Sat. pressure: 1.3930 bar Gas Mole fraction phi Fugacity Partial P(bar) H2O,gas 0.2283E-01 0.9696 0.3083E-01 0.3180E-01 CO2,gas 0.2741E-01 0.9978 0.3810E-01 0.3819E-01 CH4,gas 0.2533E-12 1.0080 0.3557E-12 0.3529E-12 H2,gas 0.2367E-08 1.0009 0.3300E-08 0.3297E-08 H2S,gas 0.1373E-02 0.9904 0.1894E-02 0.1912E-02 S2,gas 0.9240E-14 1.0000 0.1287E-13 0.1287E-13 CO,gas 0.2822E-13 1.0000 0.3931E-13 0.3931E-13 NO2,gas 0.6909-123 1.0000 0.9624-123 0.9624-123 SO3,gas 0.3974E-34 1.0000 0.5536E-34 0.5536E-34 O2,gas 0.9484E+00 1.0000 0.1321E+01 0.1321E+01 NH3,gas 0.1276E-57 1.0000 0.1777E-57 0.1777E-57 N2,gas 0.1099E-95 1.0000 0.1531E-95 0.1531E-95 SO2,gas 0.1836E-13 1.0000 0.2557E-13 0.2557E-13 HF,gas 0.1124E-09 1.0000 0.1565E-09 0.1565E-09 NON-Ideal mixing with H2O, CO2, CH4 Gases ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ The following gases and minerals are presently EXCLUDED from matrix (Gases and minerals with log(Q/K) less than -5 are not listed below) Gas or Mineral Log K Log Q Log(Q/K) Log(Q/K)/S Affinity Log Fugacity 1 H2O,gas 1.51 0.00 -1.51 -1.511 0.20615E+04 -1.511 2 CO2,gas -7.81 -9.23 -1.42 -0.473 0.19360E+04 -1.419 3 CH4,gas 2.98 -9.47 -12.45 -3.112 0.16984E+05 -12.449 4 H2,gas 8.42 -0.06 -8.48 -4.847 0.11571E+05 -8.481 5 H2S,gas -7.90 -10.62 -2.72 -1.361 0.37145E+04 -2.723 6 S2,gas -7.24 -21.13 -13.89 -2.137 0.18950E+05 -13.890 7 CO,gas 4.11 -9.29 -13.41 -4.125 0.18289E+05 -13.406 8 NO2,gas 76.52 -46.50 -123.02 -28.118 0.16783E+06 -123.017 9 SO3,gas 23.88 -10.38 -34.26 -8.564 0.46736E+05 -34.257 10 O2,gas 66.26 0.12 -66.14 -44.091 0.90230E+05 -66.137 11 NH3,gas 11.04 -46.71 -57.75 -28.875 0.78788E+05 -57.750 12 N2,gas 2.57 -93.24 -95.82 -12.363 0.13072E+06 -95.815 13 SO2,gas 3.15 -10.44 -13.59 -3.625 0.18544E+05 -13.592 14 HF,gas 1.11 -8.69 -9.81 -4.903 0.13377E+05 -9.805 15 HCl,gas 6.31 -7.30 -13.61 -6.805 0.18567E+05 -13.609 16 diamond -4.48 -9.35 -4.87 -1.393 0.66509E+04 17 graphite -4.99 -9.35 -4.37 -1.247 0.59564E+04 19 sulfur -10.52 -10.56 -0.04 -0.014 0.60292E+02 Calculations done for 25.0000 Deg. C; 1.0000 bar Mixer fraction: 0.0004000 Fract. of mixing solution added: 0.000100 BITMOL = 0.3909E-02 OLDMOL = 0.5553E+02 New heat: 0.000 New temperature: 25.000 New mixer fraction: 0.0005000 Resulting temperature: 25.000Deg. C Solids and gases carried Charge balance check after fractionation or titration: TBAL = -.7217E-18 ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ Merapi workup for air saturated water (ASW). Oxygen part already done in Solveq. N2 addition fails. Try a bit of Merapi gas first. ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ Number of loops used = 6 Loop limit = 400 Temperature = 25.00 C Pressure = 1.00 bar Mixer fraction = 0.0005000 Water: Moles liquid = 0.5553E+02 kg liquid = 0.1000E+01 Moles total = 0.5553E+02 kg total = 0.1000E+01 Activity = 1.0000 Stoichiometric ionic strength = .1499056E-02 Osmotic coef. = 0.9745 True ionic strength = .8007910E-03 Chg. balance for total moles = -.7217E-18 Max. difference allowed = 0.1329E-07 Log Log Log Species(n) Molality Molality Activity Activity Gamma Gamma 1 H+ 0.58370E-03 -3.2338 0.55553E-03 -3.2553 0.95174E+00 -0.0215 2 H2O 0.99996E+00 0.0000 0.99996E+00 0.0000 3 Cl- 0.13282E-03 -3.8767 0.12636E-03 -3.8984 0.95137E+00 -0.0216 4 SO4-- 0.21699E-03 -3.6636 0.18771E-03 -3.7265 0.86506E+00 -0.0630 5 HCO3- 0.13892E-05 -5.8572 0.13217E-05 -5.8789 0.95141E+00 -0.0216 6 HS- 0.62081E-07 -7.2070 0.59062E-07 -7.2287 0.95137E+00 -0.0216 7 Na+ 0.99960E-07 -7.0002 0.95097E-07 -7.0218 0.95136E+00 -0.0217 8 F- 0.51118E-05 -5.2914 0.48631E-05 -5.3131 0.95134E+00 -0.0217 9 NH4+ 0.99962E-50 -50.0002 0.95105E-50 -50.0218 0.95142E+00 -0.0216 10 CH4,aq 0.53221E-15 -15.2739 0.53203E-15 -15.2741 0.99965E+00 -0.0002 11 C2H6,aq 0.70917E-31 -31.1492 0.70893E-31 -31.1494 0.99965E+00 -0.0002 12 C3H8,aq 0.48353E-45 -45.3156 0.48336E-45 -45.3157 0.99965E+00 -0.0002 13 C4H10,aq 0.28980E-59 -59.5379 0.28969E-59 -59.5381 0.99965E+00 -0.0002 14 ethanol,aq 0.42606E-35 -35.3705 0.42591E-35 -35.3707 0.99965E+00 -0.0002 15 CO,aq 0.48209E-16 -16.3169 0.48209E-16 -16.3169 0.10000E+01 0.0000 16 CO2,aq 0.16255E-02 -2.7890 0.16250E-02 -2.7892 0.99965E+00 -0.0002 17 CO3-2 0.12894E-12 -12.8896 0.11154E-12 -12.9526 0.86499E+00 -0.0630 18 HCN,aq 0.36445E-77 -77.4384 0.36445E-77 -77.4384 0.10000E+01 0.0000 19 CN- 0.40048E-83 -83.3974 0.38100E-83 -83.4191 0.95137E+00 -0.0216 20 OCN- 0.62849E-69 -69.2017 0.59793E-69 -69.2234 0.95137E+00 -0.0216 21 SCN- 0.45220E-69 -69.3447 0.43021E-69 -69.3663 0.95137E+00 -0.0216 22 HCl,aq 0.13687E-07 -7.8637 0.13687E-07 -7.8637 0.10000E+01 0.0000 23 HClO,aq 0.59846E-49 -49.2230 0.59846E-49 -49.2230 0.10000E+01 0.0000 24 ClO- 0.31914E-53 -53.4960 0.30362E-53 -53.5177 0.95137E+00 -0.0216 25 HClO2,aq 0.48168E-97 -97.3172 0.48168E-97 -97.3172 0.10000E+01 0.0000 26 HF,aq 0.39776E-05 -5.4004 0.39776E-05 -5.4004 0.10000E+01 0.0000 27 HF2- 0.49112E-11 -11.3088 0.46724E-11 -11.3305 0.95137E+00 -0.0216 28 H2,aq 0.25788E-11 -11.5886 0.25779E-11 -11.5887 0.99965E+00 -0.0002 29 NH3,aq 0.98321E-56 -56.0074 0.98287E-56 -56.0075 0.99965E+00 -0.0002 30 HNO2,aq 0.33937-109 -109.4693 0.33937-109 -109.4693 0.10000E+01 0.0000 31 NO2- 0.38249-109 -109.4174 0.36389-109 -109.4390 0.95137E+00 -0.0216 32 HNO3,aq 0.52529-133 -133.2796 0.52529-133 -133.2796 0.10000E+01 0.0000 33 NO3- 0.19918-128 -128.7008 0.18953-128 -128.7223 0.95157E+00 -0.0216 34 N2,aq 0.78226E-99 -99.1066 0.78199E-99 -99.1068 0.99965E+00 -0.0002 35 N2O2-2 0.49714-188 -188.3035 0.43002-188 -188.3665 0.86499E+00 -0.0630 36 HN2O2- 0.24823-180 -180.6052 0.23615-180 -180.6268 0.95137E+00 -0.0216 37 H2N2O2,aq 0.14286-176 -176.8451 0.14286-176 -176.8451 0.10000E+01 0.0000 38 N2H5+ 0.27420-130 -130.5619 0.26088-130 -130.5836 0.95142E+00 -0.0216 39 N2H6+2 0.15747-134 -134.8028 0.13619-134 -134.8659 0.86486E+00 -0.0631 40 NaCl,aq 0.20081E-11 -11.6972 0.20081E-11 -11.6972 0.10000E+01 0.0000 41 NaF,aq 0.46460E-13 -13.3329 0.46460E-13 -13.3329 0.10000E+01 0.0000 42 NaOH,aq 0.10677E-17 -17.9716 0.10677E-17 -17.9716 0.10000E+01 0.0000 43 O2,aq 0.92383E-69 -69.0344 0.92351E-69 -69.0346 0.99965E+00 -0.0002 44 OH- 0.19140E-10 -10.7181 0.18209E-10 -10.7397 0.95134E+00 -0.0217 45 HO2- 0.28226E-59 -59.5494 0.26853E-59 -59.5710 0.95137E+00 -0.0216 46 H2O2,aq 0.72062E-51 -51.1423 0.72062E-51 -51.1423 0.10000E+01 0.0000 47 H2S,aq 0.31928E-03 -3.4958 0.31917E-03 -3.4960 0.99965E+00 -0.0002 48 S2-2 0.22664E-15 -15.6447 0.19604E-15 -15.7076 0.86499E+00 -0.0630 49 S3-2 0.30067E-14 -14.5219 0.26008E-14 -14.5849 0.86499E+00 -0.0630 50 S3- 0.47680E-10 -10.3217 0.45361E-10 -10.3433 0.95137E+00 -0.0216 51 S4-2 0.24035E-13 -13.6192 0.20790E-13 -13.6821 0.86499E+00 -0.0630 52 S5-2 0.11577E-12 -12.9364 0.10014E-12 -12.9994 0.86499E+00 -0.0630 53 SO2,aq 0.52625E-13 -13.2788 0.52625E-13 -13.2788 0.10000E+01 0.0000 54 SO3-2 0.16963E-15 -15.7705 0.14681E-15 -15.8332 0.86548E+00 -0.0627 55 HSO3- 0.13744E-11 -11.8619 0.13076E-11 -11.8835 0.95137E+00 -0.0216 56 HSO4- 0.10442E-04 -4.9812 0.99356E-05 -5.0028 0.95146E+00 -0.0216 57 HSO5- 0.17201E-58 -58.7644 0.16365E-58 -58.7861 0.95137E+00 -0.0216 58 S2O3-2 0.42708E-09 -9.3695 0.36942E-09 -9.4325 0.86499E+00 -0.0630 59 HS2O3- 0.10444E-10 -10.9811 0.99363E-11 -11.0028 0.95137E+00 -0.0216 60 H2S2O3,aq 0.21327E-13 -13.6711 0.21327E-13 -13.6711 0.10000E+01 0.0000 61 S2O4-2 0.15676E-28 -28.8048 0.13559E-28 -28.8678 0.86499E+00 -0.0630 62 HS2O4- 0.24638E-29 -29.6084 0.23439E-29 -29.6301 0.95137E+00 -0.0216 63 H2S2O4,aq 0.30245E-32 -32.5193 0.30245E-32 -32.5193 0.10000E+01 0.0000 64 S2O5-2 0.30126E-28 -28.5211 0.26059E-28 -28.5840 0.86499E+00 -0.0630 65 S2O6-2 0.15728E-30 -30.8033 0.13604E-30 -30.8663 0.86499E+00 -0.0630 66 S2O8-2 0.12081E-70 -70.9179 0.10450E-70 -70.9809 0.86499E+00 -0.0630 67 S3O6-2 0.67208E-32 -32.1726 0.58134E-32 -32.2356 0.86499E+00 -0.0630 68 S4O6-2 0.23130E-17 -17.6358 0.20007E-17 -17.6988 0.86499E+00 -0.0630 69 S5O6-2 0.10494E-31 -31.9791 0.90770E-32 -32.0421 0.86499E+00 -0.0630 Charge balance for all species = -.1301E-17 Total fraction of mixing solution added: 0.0005000 Solid products produced: Mass = 0.000000 g Volume = 0.000000 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 ( 1 iterations) ------------------------------------------------- Temperature: 25.0000 deg.C Sat. pressure: 1.4109 bar Gas Mole fraction phi Fugacity Partial P(bar) H2O,gas 0.2250E-01 0.9712 0.3083E-01 0.3174E-01 CO2,gas 0.3388E-01 0.9962 0.4763E-01 0.4781E-01 CH4,gas 0.3095E-12 1.0065 0.4395E-12 0.4366E-12 H2,gas 0.2330E-08 1.0009 0.3291E-08 0.3287E-08 H2S,gas 0.1870E-02 0.9903 0.2612E-02 0.2638E-02 S2,gas 0.1746E-13 1.0000 0.2463E-13 0.2463E-13 CO,gas 0.3472E-13 1.0000 0.4899E-13 0.4899E-13 NO2,gas 0.6082-123 1.0000 0.8581-123 0.8581-123 SO3,gas 0.5475E-34 1.0000 0.7725E-34 0.7725E-34 O2,gas 0.9417E+00 1.0000 0.1329E+01 0.1329E+01 NH3,gas 0.1112E-57 1.0000 0.1569E-57 0.1569E-57 N2,gas 0.8525E-96 1.0000 0.1203E-95 0.1203E-95 SO2,gas 0.2522E-13 1.0000 0.3558E-13 0.3558E-13 HF,gas 0.1483E-09 1.0000 0.2092E-09 0.2092E-09 NON-Ideal mixing with H2O, CO2, CH4 Gases ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ The following gases and minerals are presently in matrix or were just added Gas or Mineral Log K Log Q Log(Q/K) Log(Q/K)/S Affinity Log Fugacity 19 sulfur -10.52 -10.42 0.10 0.030 -0.13200E+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 1.51 0.00 -1.51 -1.511 0.20615E+04 -1.511 2 CO2,gas -7.81 -9.13 -1.32 -0.441 0.18038E+04 -1.322 3 CH4,gas 2.98 -9.38 -12.36 -3.089 0.16859E+05 -12.357 4 H2,gas 8.42 -0.06 -8.48 -4.847 0.11573E+05 -8.483 5 H2S,gas -7.90 -10.48 -2.58 -1.291 0.35239E+04 -2.583 6 S2,gas -7.24 -20.84 -13.61 -2.094 0.18566E+05 -13.608 7 CO,gas 4.11 -9.20 -13.31 -4.095 0.18158E+05 -13.310 8 NO2,gas 76.52 -46.55 -123.07 -28.129 0.16790E+06 -123.066 9 SO3,gas 23.88 -10.24 -34.11 -8.528 0.46539E+05 -34.112 10 O2,gas 66.26 0.12 -66.13 -44.090 0.90226E+05 -66.135 11 NH3,gas 11.04 -46.77 -57.80 -28.902 0.78862E+05 -57.805 12 N2,gas 2.57 -93.35 -95.92 -12.377 0.13086E+06 -95.920 13 SO2,gas 3.15 -10.30 -13.45 -3.586 0.18348E+05 -13.449 14 HF,gas 1.11 -8.57 -9.68 -4.840 0.13205E+05 -9.679 15 HCl,gas 6.31 -7.15 -13.46 -6.730 0.18363E+05 -13.460 16 diamond -4.48 -9.26 -4.78 -1.366 0.65221E+04 17 graphite -4.99 -9.26 -4.27 -1.220 0.58277E+04 ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ Merapi workup for air saturated water (ASW). Oxygen part already done in Solveq. N2 addition fails. Try a bit of Merapi gas first. ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ Number of loops used = 9 Loop limit = 400 Temperature = 25.00 C Pressure = 1.00 bar Mixer fraction = 0.0005000 Water: Moles liquid = 0.5553E+02 kg liquid = 0.1000E+01 Moles total = 0.5553E+02 kg total = 0.1000E+01 Activity = 1.0000 Stoichiometric ionic strength = .1425389E-02 Osmotic coef. = 0.9752 True ionic strength = .7410034E-03 Chg. balance for total moles = -.7217E-18 Max. difference allowed = 0.1329E-07 Log Log Log Species(n) Molality Molality Activity Activity Gamma Gamma 1 H+ 0.54341E-03 -3.2649 0.51778E-03 -3.2859 0.95283E+00 -0.0210 2 H2O 0.99997E+00 0.0000 0.99997E+00 0.0000 3 Cl- 0.13282E-03 -3.8767 0.12651E-03 -3.8979 0.95249E+00 -0.0211 4 SO4-- 0.19750E-03 -3.7044 0.17164E-03 -3.7654 0.86908E+00 -0.0609 5 HCO3- 0.14887E-05 -5.8272 0.14180E-05 -5.8483 0.95253E+00 -0.0211 6 HS- 0.53376E-07 -7.2727 0.50840E-07 -7.2938 0.95249E+00 -0.0211 7 Na+ 0.99960E-07 -7.0002 0.95209E-07 -7.0213 0.95247E+00 -0.0211 8 F- 0.52659E-05 -5.2785 0.50156E-05 -5.2997 0.95246E+00 -0.0212 9 NH4+ 0.99962E-50 -50.0002 0.95217E-50 -50.0213 0.95253E+00 -0.0211 10 CH4,aq 0.53751E-15 -15.2696 0.53733E-15 -15.2698 0.99967E+00 -0.0001 11 C2H6,aq 0.72158E-31 -31.1417 0.72134E-31 -31.1419 0.99967E+00 -0.0001 12 C3H8,aq 0.49566E-45 -45.3048 0.49549E-45 -45.3050 0.99967E+00 -0.0001 13 C4H10,aq 0.29928E-59 -59.5239 0.29918E-59 -59.5241 0.99967E+00 -0.0001 14 ethanol,aq 0.43244E-35 -35.3641 0.43229E-35 -35.3642 0.99967E+00 -0.0001 15 CO,aq 0.48327E-16 -16.3158 0.48327E-16 -16.3158 0.10000E+01 0.0000 16 CO2,aq 0.16254E-02 -2.7890 0.16249E-02 -2.7892 0.99967E+00 -0.0001 17 CO3-2 0.14774E-12 -12.8305 0.12839E-12 -12.8915 0.86902E+00 -0.0610 18 HCN,aq 0.39244E-77 -77.4062 0.39244E-77 -77.4062 0.10000E+01 0.0000 19 CN- 0.46214E-83 -83.3352 0.44018E-83 -83.3564 0.95249E+00 -0.0211 20 OCN- 0.72346E-69 -69.1406 0.68908E-69 -69.1617 0.95249E+00 -0.0211 21 SCN- 0.41761E-69 -69.3792 0.39777E-69 -69.4004 0.95249E+00 -0.0211 22 HCl,aq 0.12772E-07 -7.8937 0.12772E-07 -7.8937 0.10000E+01 0.0000 23 HClO,aq 0.55706E-49 -49.2541 0.55706E-49 -49.2541 0.10000E+01 0.0000 24 ClO- 0.31834E-53 -53.4971 0.30322E-53 -53.5182 0.95249E+00 -0.0211 25 HClO2,aq 0.44724E-97 -97.3495 0.44724E-97 -97.3495 0.10000E+01 0.0000 26 HF,aq 0.38235E-05 -5.4175 0.38235E-05 -5.4175 0.10000E+01 0.0000 27 HF2- 0.48633E-11 -11.3131 0.46322E-11 -11.3342 0.95249E+00 -0.0211 28 H2,aq 0.25852E-11 -11.5875 0.25843E-11 -11.5877 0.99967E+00 -0.0001 29 NH3,aq 0.10561E-55 -55.9763 0.10558E-55 -55.9764 0.99967E+00 -0.0001 30 HNO2,aq 0.36183-109 -109.4415 0.36183-109 -109.4415 0.10000E+01 0.0000 31 NO2- 0.43702-109 -109.3595 0.41626-109 -109.3806 0.95249E+00 -0.0211 32 HNO3,aq 0.55865-133 -133.2529 0.55865-133 -133.2529 0.10000E+01 0.0000 33 NO3- 0.22701-128 -128.6439 0.21627-128 -128.6650 0.95268E+00 -0.0211 34 N2,aq 0.89587E-99 -99.0478 0.89558E-99 -99.0479 0.99967E+00 -0.0001 35 N2O2-2 0.65075-188 -188.1866 0.56551-188 -188.2476 0.86902E+00 -0.0610 36 HN2O2- 0.30390-180 -180.5173 0.28946-180 -180.5384 0.95249E+00 -0.0211 37 H2N2O2,aq 0.16320-176 -176.7873 0.16320-176 -176.7873 0.10000E+01 0.0000 38 N2H5+ 0.29380-130 -130.5319 0.27986-130 -130.5531 0.95253E+00 -0.0211 39 N2H6+2 0.15672-134 -134.8049 0.13617-134 -134.8659 0.86890E+00 -0.0610 40 NaCl,aq 0.20128E-11 -11.6962 0.20128E-11 -11.6962 0.10000E+01 0.0000 41 NaF,aq 0.47974E-13 -13.3190 0.47974E-13 -13.3190 0.10000E+01 0.0000 42 NaOH,aq 0.11469E-17 -17.9405 0.11469E-17 -17.9405 0.10000E+01 0.0000 43 O2,aq 0.91922E-69 -69.0366 0.91892E-69 -69.0367 0.99967E+00 -0.0001 44 OH- 0.20511E-10 -10.6880 0.19536E-10 -10.7092 0.95246E+00 -0.0212 45 HO2- 0.30173E-59 -59.5204 0.28740E-59 -59.5415 0.95249E+00 -0.0211 46 H2O2,aq 0.71883E-51 -51.1434 0.71883E-51 -51.1434 0.10000E+01 0.0000 47 H2S,aq 0.25615E-03 -3.5915 0.25606E-03 -3.5917 0.99967E+00 -0.0001 48 S2-2 0.16674E-15 -15.7780 0.14490E-15 -15.8389 0.86902E+00 -0.0610 49 S3-2 0.17703E-14 -14.7520 0.15384E-14 -14.8129 0.86902E+00 -0.0610 50 S3- 0.26222E-10 -10.5813 0.24977E-10 -10.6025 0.95249E+00 -0.0211 51 S4-2 0.11325E-13 -13.9460 0.98416E-14 -14.0069 0.86902E+00 -0.0610 52 S5-2 0.43655E-13 -13.3600 0.37937E-13 -13.4209 0.86902E+00 -0.0610 53 SO2,aq 0.41906E-13 -13.3777 0.41906E-13 -13.3777 0.10000E+01 0.0000 54 SO3-2 0.15478E-15 -15.8103 0.13458E-15 -15.8710 0.86948E+00 -0.0607 55 HSO3- 0.11729E-11 -11.9307 0.11172E-11 -11.9519 0.95249E+00 -0.0211 56 HSO4- 0.88892E-05 -5.0511 0.84676E-05 -5.0722 0.95257E+00 -0.0211 57 HSO5- 0.14606E-58 -58.8355 0.13912E-58 -58.8566 0.95249E+00 -0.0211 58 S2O3-2 0.31185E-09 -9.5060 0.27101E-09 -9.5670 0.86902E+00 -0.0610 59 HS2O3- 0.71328E-11 -11.1467 0.67939E-11 -11.1679 0.95249E+00 -0.0211 60 H2S2O3,aq 0.13591E-13 -13.8667 0.13591E-13 -13.8667 0.10000E+01 0.0000 61 S2O4-2 0.11418E-28 -28.9424 0.99224E-29 -29.0034 0.86902E+00 -0.0610 62 HS2O4- 0.16784E-29 -29.7751 0.15987E-29 -29.7962 0.95249E+00 -0.0211 63 H2S2O4,aq 0.19227E-32 -32.7161 0.19227E-32 -32.7161 0.10000E+01 0.0000 64 S2O5-2 0.21889E-28 -28.6598 0.19022E-28 -28.7207 0.86902E+00 -0.0610 65 S2O6-2 0.11399E-30 -30.9431 0.99059E-31 -31.0041 0.86902E+00 -0.0610 66 S2O8-2 0.87125E-71 -71.0599 0.75713E-71 -71.1208 0.86902E+00 -0.0610 67 S3O6-2 0.38982E-32 -32.4091 0.33876E-32 -32.4701 0.86902E+00 -0.0610 68 S4O6-2 0.10737E-17 -17.9691 0.93303E-18 -18.0301 0.86902E+00 -0.0610 69 S5O6-2 0.38982E-32 -32.4091 0.33876E-32 -32.4701 0.86902E+00 -0.0610 Charge balance for all species = 0.7546E-17 Component Molality Aq.molality ppm log[A(N)/A(H+)**Z] (total) 1 H+ 0.5434075E-03 0.2437725E-02 0.2456826E+01 0.0000 2 H2O 0.1000000E+01 0.5550662E+02 0.9998651E+06 0.0000 3 Cl- 0.1328184E-03 0.1328312E-03 0.4708777E+01 -0.6120 4 SO4-- 0.1974956E-03 0.2063852E-03 0.1982364E+02 2.8063 5 HCO3- 0.1488657E-05 0.1626932E-02 0.9926057E+02 -2.5625 6 HS- 0.5337573E-07 0.2562019E-03 0.8472234E+01 -4.0079 7 Na+ 0.9995966E-07 0.9996173E-07 0.2297862E-02 -3.7355 8 F- 0.5265927E-05 0.9089470E-05 0.1726639E+00 -2.0138 9 NH4+ 0.9996162E-50 0.9996173E-50 0.1802983E-45 -46.7354 Component Tot moles Aq. moles Solid moles Gas moles 1 H+ 0.2543930E-02 0.2438658E-02 0.1052716E-03 0.0000000E+00 2 H2O 0.5552779E+02 0.5552788E+02 -.8421730E-04 0.0000000E+00 3 Cl- 0.1328821E-03 0.1328821E-03 0.0000000E+00 0.0000000E+00 4 SO4-- 0.2275185E-03 0.2064642E-03 0.2105433E-04 0.0000000E+00 5 HCO3- 0.1627555E-02 0.1627555E-02 0.0000000E+00 0.0000000E+00 6 HS- 0.3194630E-03 0.2563000E-03 0.6316298E-04 0.0000000E+00 7 Na+ 0.1000000E-06 0.1000000E-06 0.0000000E+00 0.0000000E+00 8 F- 0.9092950E-05 0.9092950E-05 0.0000000E+00 0.0000000E+00 9 NH4+ 0.1000000E-49 0.1000000E-49 0.0000000E+00 0.0000000E+00 Chg. balance for solid moles: -.1355E-19 Mass of aqueous solution: 0.100049E+04 g Temperature = 25.00 C Pressure = 1.00 bar Mixer frac. = 0.0005000 Log Log Vol Gas or mineral Moles Moles Grams Grams Wt.% (cm3) sulfur 0.8422E-04 -4.075 0.2700E-02 -2.569 100.0 0.1306E-02 Partial press. Fugacity coef Log fugacity Gas or Mineral Mole fraction or activity Activity coef Log activity sulfur 0.1000E+01 0.1000E+01 1.0000 0.000 Total fraction of mixing solution added: 0.0005000 Solid products produced: Mass = 0.002700 g Volume = 0.001306 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 ( 1 iterations) ------------------------------------------------- Temperature: 25.0000 deg.C Sat. pressure: 1.4038 bar Gas Mole fraction phi Fugacity Partial P(bar) H2O,gas 0.2261E-01 0.9714 0.3083E-01 0.3174E-01 CO2,gas 0.3405E-01 0.9962 0.4762E-01 0.4780E-01 CH4,gas 0.3142E-12 1.0065 0.4439E-12 0.4410E-12 H2,gas 0.2348E-08 1.0009 0.3299E-08 0.3296E-08 H2S,gas 0.1507E-02 0.9903 0.2096E-02 0.2116E-02 S2,gas 0.1124E-13 1.0000 0.1578E-13 0.1578E-13 CO,gas 0.3499E-13 1.0000 0.4911E-13 0.4911E-13 NO2,gas 0.6509-123 1.0000 0.9138-123 0.9138-123 SO3,gas 0.4371E-34 1.0000 0.6136E-34 0.6136E-34 O2,gas 0.9418E+00 1.0000 0.1322E+01 0.1322E+01 NH3,gas 0.1200E-57 1.0000 0.1685E-57 0.1685E-57 N2,gas 0.9813E-96 1.0000 0.1378E-95 0.1378E-95 SO2,gas 0.2018E-13 1.0000 0.2833E-13 0.2833E-13 HF,gas 0.1433E-09 1.0000 0.2011E-09 0.2011E-09 NON-Ideal mixing with H2O, CO2, CH4 Gases ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ The following gases and minerals are presently in matrix or were just added Gas or Mineral Log K Log Q Log(Q/K) Log(Q/K)/S Affinity Log Fugacity 19 sulfur -10.52 -10.52 0.00 0.000 -0.24235E-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 1.51 0.00 -1.51 -1.511 0.20615E+04 -1.511 2 CO2,gas -7.81 -9.13 -1.32 -0.441 0.18038E+04 -1.322 3 CH4,gas 2.98 -9.38 -12.35 -3.088 0.16853E+05 -12.353 4 H2,gas 8.42 -0.06 -8.48 -4.847 0.11571E+05 -8.482 5 H2S,gas -7.90 -10.58 -2.68 -1.339 0.36544E+04 -2.679 6 S2,gas -7.24 -21.04 -13.80 -2.123 0.18830E+05 -13.802 7 CO,gas 4.11 -9.19 -13.31 -4.095 0.18157E+05 -13.309 8 NO2,gas 76.52 -46.52 -123.04 -28.123 0.16786E+06 -123.039 9 SO3,gas 23.88 -10.34 -34.21 -8.553 0.46675E+05 -34.212 10 O2,gas 66.26 0.12 -66.14 -44.091 0.90229E+05 -66.137 11 NH3,gas 11.04 -46.74 -57.77 -28.887 0.78819E+05 -57.773 12 N2,gas 2.57 -93.29 -95.86 -12.369 0.13078E+06 -95.861 13 SO2,gas 3.15 -10.40 -13.55 -3.613 0.18483E+05 -13.548 14 HF,gas 1.11 -8.59 -9.70 -4.848 0.13229E+05 -9.697 15 HCl,gas 6.31 -7.18 -13.49 -6.745 0.18404E+05 -13.490 16 diamond -4.48 -9.26 -4.78 -1.365 0.65192E+04 17 graphite -4.99 -9.26 -4.27 -1.220 0.58247E+04 Calculations done for 25.0000 Deg. C; 1.0000 bar Mixer fraction: 0.0005000 Fract. of mixing solution added: 0.000100 BITMOL = 0.3909E-02 OLDMOL = 0.5553E+02 New heat: 0.000 New temperature: 25.000 New mixer fraction: 0.0006000 Resulting temperature: 25.000Deg. C Solids and gases carried Charge balance check after fractionation or titration: TBAL = -.5726E-18 ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ Merapi workup for air saturated water (ASW). Oxygen part already done in Solveq. N2 addition fails. Try a bit of Merapi gas first. ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ Number of loops used = 9 Loop limit = 400 Temperature = 25.00 C Pressure = 1.00 bar Mixer fraction = 0.0006000 Water: Moles liquid = 0.5553E+02 kg liquid = 0.1000E+01 Moles total = 0.5553E+02 kg total = 0.1000E+01 Activity = 1.0000 Stoichiometric ionic strength = .1586221E-02 Osmotic coef. = 0.9745 True ionic strength = .7453933E-03 Chg. balance for total moles = -.5726E-18 Max. difference allowed = 0.1594E-07 Log Log Log Species(n) Molality Molality Activity Activity Gamma Gamma 1 H+ 0.55554E-03 -3.2553 0.52928E-03 -3.2763 0.95274E+00 -0.0210 2 H2O 0.99996E+00 0.0000 0.99996E+00 0.0000 3 Cl- 0.15935E-03 -3.7976 0.15176E-03 -3.8188 0.95240E+00 -0.0212 4 SO4-- 0.18976E-03 -3.7218 0.16485E-03 -3.7829 0.86877E+00 -0.0611 5 HCO3- 0.17475E-05 -5.7576 0.16644E-05 -5.7787 0.95244E+00 -0.0212 6 HS- 0.52156E-07 -7.2827 0.49674E-07 -7.3039 0.95240E+00 -0.0212 7 Na+ 0.99951E-07 -7.0002 0.95192E-07 -7.0214 0.95239E+00 -0.0212 8 F- 0.62489E-05 -5.2042 0.59512E-05 -5.2254 0.95237E+00 -0.0212 9 NH4+ 0.99954E-50 -50.0002 0.95200E-50 -50.0214 0.95244E+00 -0.0212 10 CH4,aq 0.64184E-15 -15.1926 0.64160E-15 -15.1927 0.99963E+00 -0.0002 11 C2H6,aq 0.10301E-30 -30.9871 0.10297E-30 -30.9873 0.99963E+00 -0.0002 12 C3H8,aq 0.84591E-45 -45.0727 0.84559E-45 -45.0728 0.99963E+00 -0.0002 13 C4H10,aq 0.61062E-59 -59.2142 0.61039E-59 -59.2144 0.99963E+00 -0.0002 14 ethanol,aq 0.61807E-35 -35.2090 0.61784E-35 -35.2091 0.99963E+00 -0.0002 15 CO,aq 0.57916E-16 -16.2372 0.57916E-16 -16.2372 0.10000E+01 0.0000 16 CO2,aq 0.19504E-02 -2.7099 0.19497E-02 -2.7100 0.99963E+00 -0.0002 17 CO3-2 0.16970E-12 -12.7703 0.14742E-12 -12.8314 0.86871E+00 -0.0611 18 HCN,aq 0.46001E-77 -77.3372 0.46001E-77 -77.3372 0.10000E+01 0.0000 19 CN- 0.52997E-83 -83.2757 0.50475E-83 -83.2969 0.95240E+00 -0.0212 20 OCN- 0.83065E-69 -69.0806 0.79111E-69 -69.1018 0.95240E+00 -0.0212 21 SCN- 0.47891E-69 -69.3197 0.45611E-69 -69.3409 0.95240E+00 -0.0212 22 HCl,aq 0.15662E-07 -7.8051 0.15662E-07 -7.8051 0.10000E+01 0.0000 23 HClO,aq 0.68395E-49 -49.1650 0.68395E-49 -49.1650 0.10000E+01 0.0000 24 ClO- 0.38240E-53 -53.4175 0.36420E-53 -53.4387 0.95240E+00 -0.0212 25 HClO2,aq 0.54978E-97 -97.2598 0.54978E-97 -97.2598 0.10000E+01 0.0000 26 HF,aq 0.46376E-05 -5.3337 0.46376E-05 -5.3337 0.10000E+01 0.0000 27 HF2- 0.69998E-11 -11.1549 0.66666E-11 -11.1761 0.95240E+00 -0.0212 28 H2,aq 0.25821E-11 -11.5880 0.25812E-11 -11.5882 0.99963E+00 -0.0002 29 NH3,aq 0.10330E-55 -55.9859 0.10326E-55 -55.9861 0.99963E+00 -0.0002 30 HNO2,aq 0.35519-109 -109.4495 0.35519-109 -109.4495 0.10000E+01 0.0000 31 NO2- 0.41971-109 -109.3770 0.39974-109 -109.3982 0.95240E+00 -0.0212 32 HNO3,aq 0.54907-133 -133.2604 0.54907-133 -133.2604 0.10000E+01 0.0000 33 NO3- 0.21829-128 -128.6610 0.20794-128 -128.6821 0.95259E+00 -0.0211 34 N2,aq 0.86021E-99 -99.0654 0.85990E-99 -99.0656 0.99963E+00 -0.0002 35 N2O2-2 0.59888-188 -188.2227 0.52025-188 -188.2838 0.86871E+00 -0.0611 36 HN2O2- 0.28582-180 -180.5439 0.27221-180 -180.5651 0.95240E+00 -0.0212 37 H2N2O2,aq 0.15689-176 -176.8044 0.15689-176 -176.8044 0.10000E+01 0.0000 38 N2H5+ 0.28769-130 -130.5411 0.27401-130 -130.5622 0.95244E+00 -0.0212 39 N2H6+2 0.15691-134 -134.8044 0.13629-134 -134.8655 0.86859E+00 -0.0612 40 NaCl,aq 0.24142E-11 -11.6172 0.24142E-11 -11.6172 0.10000E+01 0.0000 41 NaF,aq 0.56913E-13 -13.2448 0.56913E-13 -13.2448 0.10000E+01 0.0000 42 NaOH,aq 0.11217E-17 -17.9501 0.11217E-17 -17.9501 0.10000E+01 0.0000 43 O2,aq 0.92149E-69 -69.0355 0.92115E-69 -69.0357 0.99963E+00 -0.0002 44 OH- 0.20067E-10 -10.6975 0.19111E-10 -10.7187 0.95237E+00 -0.0212 45 HO2- 0.29556E-59 -59.5294 0.28149E-59 -59.5505 0.95240E+00 -0.0212 46 H2O2,aq 0.71969E-51 -51.1429 0.71969E-51 -51.1429 0.10000E+01 0.0000 47 H2S,aq 0.25585E-03 -3.5920 0.25575E-03 -3.5922 0.99963E+00 -0.0002 48 S2-2 0.15943E-15 -15.7974 0.13850E-15 -15.8586 0.86871E+00 -0.0611 49 S3-2 0.16926E-14 -14.7714 0.14704E-14 -14.8326 0.86871E+00 -0.0611 50 S3- 0.25639E-10 -10.5911 0.24418E-10 -10.6123 0.95240E+00 -0.0212 51 S4-2 0.10828E-13 -13.9654 0.94067E-14 -14.0266 0.86871E+00 -0.0611 52 S5-2 0.41741E-13 -13.3794 0.36261E-13 -13.4406 0.86871E+00 -0.0611 53 SO2,aq 0.42008E-13 -13.3767 0.42008E-13 -13.3767 0.10000E+01 0.0000 54 SO3-2 0.14854E-15 -15.8282 0.12910E-15 -15.8891 0.86917E+00 -0.0609 55 HSO3- 0.11503E-11 -11.9392 0.10955E-11 -11.9604 0.95240E+00 -0.0212 56 HSO4- 0.87284E-05 -5.0591 0.83136E-05 -5.0802 0.95248E+00 -0.0211 57 HSO5- 0.14359E-58 -58.8429 0.13676E-58 -58.8640 0.95240E+00 -0.0212 58 S2O3-2 0.29927E-09 -9.5239 0.25998E-09 -9.5851 0.86871E+00 -0.0611 59 HS2O3- 0.69953E-11 -11.1552 0.66623E-11 -11.1764 0.95240E+00 -0.0212 60 H2S2O3,aq 0.13624E-13 -13.8657 0.13624E-13 -13.8657 0.10000E+01 0.0000 61 S2O4-2 0.10970E-28 -28.9598 0.95302E-29 -29.0209 0.86871E+00 -0.0611 62 HS2O4- 0.16481E-29 -29.7830 0.15696E-29 -29.8042 0.95240E+00 -0.0212 63 H2S2O4,aq 0.19297E-32 -32.7145 0.19297E-32 -32.7145 0.10000E+01 0.0000 64 S2O5-2 0.21057E-28 -28.6766 0.18292E-28 -28.7377 0.86871E+00 -0.0611 65 S2O6-2 0.10979E-30 -30.9594 0.95374E-31 -31.0206 0.86871E+00 -0.0611 66 S2O8-2 0.84118E-71 -71.0751 0.73074E-71 -71.1362 0.86871E+00 -0.0611 67 S3O6-2 0.37545E-32 -32.4254 0.32616E-32 -32.4866 0.86871E+00 -0.0611 68 S4O6-2 0.10341E-17 -17.9854 0.89832E-18 -18.0466 0.86871E+00 -0.0611 69 S5O6-2 0.37545E-32 -32.4254 0.32616E-32 -32.4866 0.86871E+00 -0.0611 Charge balance for all species = -.2598E-17 Component Molality Aq.molality ppm log[A(N)/A(H+)**Z] (total) 1 H+ 0.5555377E-03 0.2775163E-02 0.2796868E+01 0.0000 2 H2O 0.1000000E+01 0.5550630E+02 0.9998447E+06 0.0000 3 Cl- 0.1593493E-03 0.1593649E-03 0.5649299E+01 -0.5425 4 SO4-- 0.1897554E-03 0.1984841E-03 0.1906445E+02 2.7697 5 HCO3- 0.1747511E-05 0.1952146E-02 0.1191004E+03 -2.5024 6 HS- 0.5215632E-07 0.2558980E-03 0.8462061E+01 -4.0276 7 Na+ 0.9995142E-07 0.9995389E-07 0.2297649E-02 -3.7451 8 F- 0.6248858E-05 0.1088652E-04 0.2067977E+00 -1.9491 9 NH4+ 0.9995379E-50 0.9995389E-50 0.1802816E-45 -46.7451 Component Tot moles Aq. moles Solid moles Gas moles 1 H+ 0.3028676E-02 0.2776443E-02 0.2522326E-03 0.0000000E+00 2 H2O 0.5553170E+02 0.5553190E+02 -.2017861E-03 0.0000000E+00 3 Cl- 0.1594385E-03 0.1594385E-03 0.0000000E+00 0.0000000E+00 4 SO4-- 0.2490222E-03 0.1985757E-03 0.5044652E-04 0.0000000E+00 5 HCO3- 0.1953046E-02 0.1953046E-02 0.0000000E+00 0.0000000E+00 6 HS- 0.4073556E-03 0.2560160E-03 0.1513396E-03 0.0000000E+00 7 Na+ 0.1000000E-06 0.1000000E-06 0.0000000E+00 0.0000000E+00 8 F- 0.1089154E-04 0.1089154E-04 0.0000000E+00 0.0000000E+00 9 NH4+ 0.1000000E-49 0.1000000E-49 0.0000000E+00 0.0000000E+00 Chg. balance for solid moles: 0.0000E+00 Mass of aqueous solution: 0.100058E+04 g Temperature = 25.00 C Pressure = 1.00 bar Mixer frac. = 0.0006000 Log Log Vol Gas or mineral Moles Moles Grams Grams Wt.% (cm3) sulfur 0.2018E-03 -3.695 0.6469E-02 -2.189 100.0 0.3130E-02 Partial press. Fugacity coef Log fugacity Gas or Mineral Mole fraction or activity Activity coef Log activity sulfur 0.1000E+01 0.1000E+01 1.0000 0.000 Total fraction of mixing solution added: 0.0006000 Solid products produced: Mass = 0.006469 g Volume = 0.003130 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 ( 1 iterations) ------------------------------------------------- Temperature: 25.0000 deg.C Sat. pressure: 1.4166 bar Gas Mole fraction phi Fugacity Partial P(bar) H2O,gas 0.2237E-01 0.9728 0.3083E-01 0.3169E-01 CO2,gas 0.4054E-01 0.9951 0.5714E-01 0.5742E-01 CH4,gas 0.3721E-12 1.0054 0.5300E-12 0.5271E-12 H2,gas 0.2324E-08 1.0009 0.3295E-08 0.3292E-08 H2S,gas 0.1492E-02 0.9903 0.2093E-02 0.2114E-02 S2,gas 0.1114E-13 1.0000 0.1578E-13 0.1578E-13 CO,gas 0.4155E-13 1.0000 0.5886E-13 0.5886E-13 NO2,gas 0.6336-123 1.0000 0.8975-123 0.8975-123 SO3,gas 0.4348E-34 1.0000 0.6159E-34 0.6159E-34 O2,gas 0.9356E+00 1.0000 0.1325E+01 0.1325E+01 NH3,gas 0.1163E-57 1.0000 0.1648E-57 0.1648E-57 N2,gas 0.9337E-96 1.0000 0.1323E-95 0.1323E-95 SO2,gas 0.2005E-13 1.0000 0.2840E-13 0.2840E-13 HF,gas 0.1722E-09 1.0000 0.2439E-09 0.2439E-09 NON-Ideal mixing with H2O, CO2, CH4 Gases ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ The following gases and minerals are presently in matrix or were just added Gas or Mineral Log K Log Q Log(Q/K) Log(Q/K)/S Affinity Log Fugacity 19 sulfur -10.52 -10.52 0.00 0.000 -0.24235E-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 1.51 0.00 -1.51 -1.511 0.20615E+04 -1.511 2 CO2,gas -7.81 -9.06 -1.24 -0.414 0.16959E+04 -1.243 3 CH4,gas 2.98 -9.30 -12.28 -3.069 0.16748E+05 -12.276 4 H2,gas 8.42 -0.06 -8.48 -4.847 0.11572E+05 -8.482 5 H2S,gas -7.90 -10.58 -2.68 -1.340 0.36552E+04 -2.679 6 S2,gas -7.24 -21.04 -13.80 -2.123 0.18830E+05 -13.802 7 CO,gas 4.11 -9.12 -13.23 -4.071 0.18050E+05 -13.230 8 NO2,gas 76.52 -46.53 -123.05 -28.125 0.16787E+06 -123.047 9 SO3,gas 23.88 -10.34 -34.21 -8.553 0.46673E+05 -34.211 10 O2,gas 66.26 0.12 -66.14 -44.090 0.90228E+05 -66.136 11 NH3,gas 11.04 -46.75 -57.78 -28.892 0.78833E+05 -57.783 12 N2,gas 2.57 -93.31 -95.88 -12.371 0.13081E+06 -95.879 13 SO2,gas 3.15 -10.40 -13.55 -3.612 0.18482E+05 -13.547 14 HF,gas 1.11 -8.50 -9.61 -4.806 0.13114E+05 -9.613 15 HCl,gas 6.31 -7.10 -13.40 -6.701 0.18283E+05 -13.401 16 diamond -4.48 -9.18 -4.70 -1.343 0.64126E+04 17 graphite -4.99 -9.18 -4.19 -1.198 0.57182E+04 Calculations done for 25.0000 Deg. C; 1.0000 bar Mixer fraction: 0.0006000 Fract. of mixing solution added: 0.000100 BITMOL = 0.3909E-02 OLDMOL = 0.5553E+02 New heat: 0.000 New temperature: 25.000 New mixer fraction: 0.0007000 Resulting temperature: 25.000Deg. C Solids and gases carried Charge balance check after fractionation or titration: TBAL = -.9114E-18 ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ Merapi workup for air saturated water (ASW). Oxygen part already done in Solveq. N2 addition fails. Try a bit of Merapi gas first. ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ Number of loops used = 9 Loop limit = 400 Temperature = 25.00 C Pressure = 1.00 bar Mixer fraction = 0.0007000 Water: Moles liquid = 0.5554E+02 kg liquid = 0.1001E+01 Moles total = 0.5554E+02 kg total = 0.1000E+01 Activity = 1.0000 Stoichiometric ionic strength = .1747224E-02 Osmotic coef. = 0.9738 True ionic strength = .7499412E-03 Chg. balance for total moles = -.9114E-18 Max. difference allowed = 0.1860E-07 Log Log Log Species(n) Molality Molality Activity Activity Gamma Gamma 1 H+ 0.56776E-03 -3.2458 0.54088E-03 -3.2669 0.95265E+00 -0.0211 2 H2O 0.99995E+00 0.0000 0.99995E+00 0.0000 3 Cl- 0.18588E-03 -3.7308 0.17701E-03 -3.7520 0.95231E+00 -0.0212 4 SO4-- 0.18208E-03 -3.7397 0.15813E-03 -3.8010 0.86846E+00 -0.0613 5 HCO3- 0.19950E-05 -5.7000 0.19000E-05 -5.7213 0.95234E+00 -0.0212 6 HS- 0.51014E-07 -7.2923 0.48581E-07 -7.3135 0.95231E+00 -0.0212 7 Na+ 0.99943E-07 -7.0002 0.95175E-07 -7.0215 0.95229E+00 -0.0212 8 F- 0.72132E-05 -5.1419 0.68690E-05 -5.1631 0.95228E+00 -0.0212 9 NH4+ 0.99946E-50 -50.0002 0.95184E-50 -50.0214 0.95235E+00 -0.0212 10 CH4,aq 0.74706E-15 -15.1266 0.74676E-15 -15.1268 0.99959E+00 -0.0002 11 C2H6,aq 0.13963E-30 -30.8550 0.13957E-30 -30.8552 0.99959E+00 -0.0002 12 C3H8,aq 0.13353E-44 -44.8744 0.13348E-44 -44.8746 0.99959E+00 -0.0002 13 C4H10,aq 0.11225E-58 -58.9498 0.11221E-58 -58.9500 0.99959E+00 -0.0002 14 ethanol,aq 0.83826E-35 -35.0766 0.83792E-35 -35.0768 0.99959E+00 -0.0002 15 CO,aq 0.67523E-16 -16.1705 0.67523E-16 -16.1705 0.10000E+01 0.0000 16 CO2,aq 0.22753E-02 -2.6430 0.22744E-02 -2.6431 0.99959E+00 -0.0002 17 CO3-2 0.18964E-12 -12.7221 0.16468E-12 -12.7834 0.86839E+00 -0.0613 18 HCN,aq 0.52473E-77 -77.2801 0.52473E-77 -77.2801 0.10000E+01 0.0000 19 CN- 0.59165E-83 -83.2279 0.56343E-83 -83.2492 0.95231E+00 -0.0212 20 OCN- 0.92784E-69 -69.0325 0.88359E-69 -69.0538 0.95231E+00 -0.0212 21 SCN- 0.53464E-69 -69.2719 0.50914E-69 -69.2932 0.95231E+00 -0.0212 22 HCl,aq 0.18668E-07 -7.7289 0.18668E-07 -7.7289 0.10000E+01 0.0000 23 HClO,aq 0.81566E-49 -49.0885 0.81566E-49 -49.0885 0.10000E+01 0.0000 24 ClO- 0.44631E-53 -53.3504 0.42502E-53 -53.3716 0.95231E+00 -0.0212 25 HClO2,aq 0.65603E-97 -97.1831 0.65603E-97 -97.1831 0.10000E+01 0.0000 26 HF,aq 0.54701E-05 -5.2620 0.54701E-05 -5.2620 0.10000E+01 0.0000 27 HF2- 0.95303E-11 -11.0209 0.90758E-11 -11.0421 0.95231E+00 -0.0212 28 H2,aq 0.25808E-11 -11.5883 0.25797E-11 -11.5884 0.99959E+00 -0.0002 29 NH3,aq 0.10107E-55 -55.9954 0.10103E-55 -55.9955 0.99959E+00 -0.0002 30 HNO2,aq 0.34811-109 -109.4583 0.34811-109 -109.4583 0.10000E+01 0.0000 31 NO2- 0.40257-109 -109.3952 0.38337-109 -109.4164 0.95231E+00 -0.0212 32 HNO3,aq 0.53843-133 -133.2689 0.53843-133 -133.2689 0.10000E+01 0.0000 33 NO3- 0.20949-128 -128.6788 0.19954-128 -128.7000 0.95250E+00 -0.0211 34 N2,aq 0.82489E-99 -99.0836 0.82456E-99 -99.0838 0.99959E+00 -0.0002 35 N2O2-2 0.55043-188 -188.2593 0.47799-188 -188.3206 0.86839E+00 -0.0613 36 HN2O2- 0.26837-180 -180.5713 0.25557-180 -180.5925 0.95231E+00 -0.0212 37 H2N2O2,aq 0.15053-176 -176.8224 0.15053-176 -176.8224 0.10000E+01 0.0000 38 N2H5+ 0.28162-130 -130.5503 0.26820-130 -130.5715 0.95235E+00 -0.0212 39 N2H6+2 0.15700-134 -134.8041 0.13632-134 -134.8654 0.86827E+00 -0.0613 40 NaCl,aq 0.28153E-11 -11.5505 0.28153E-11 -11.5505 0.10000E+01 0.0000 41 NaF,aq 0.65678E-13 -13.1826 0.65678E-13 -13.1826 0.10000E+01 0.0000 42 NaOH,aq 0.10975E-17 -17.9596 0.10975E-17 -17.9596 0.10000E+01 0.0000 43 O2,aq 0.92257E-69 -69.0350 0.92219E-69 -69.0352 0.99959E+00 -0.0002 44 OH- 0.19639E-10 -10.7069 0.18702E-10 -10.7281 0.95228E+00 -0.0212 45 HO2- 0.28941E-59 -59.5385 0.27561E-59 -59.5597 0.95231E+00 -0.0212 46 H2O2,aq 0.72010E-51 -51.1426 0.72010E-51 -51.1426 0.10000E+01 0.0000 47 H2S,aq 0.25571E-03 -3.5923 0.25560E-03 -3.5924 0.99959E+00 -0.0002 48 S2-2 0.15264E-15 -15.8163 0.13255E-15 -15.8776 0.86839E+00 -0.0613 49 S3-2 0.16205E-14 -14.7903 0.14073E-14 -14.8516 0.86839E+00 -0.0613 50 S3- 0.25085E-10 -10.6006 0.23888E-10 -10.6218 0.95231E+00 -0.0212 51 S4-2 0.10367E-13 -13.9843 0.90027E-14 -14.0456 0.86839E+00 -0.0613 52 S5-2 0.39963E-13 -13.3983 0.34703E-13 -13.4596 0.86839E+00 -0.0613 53 SO2,aq 0.42055E-13 -13.3762 0.42055E-13 -13.3762 0.10000E+01 0.0000 54 SO3-2 0.14245E-15 -15.8463 0.12377E-15 -15.9074 0.86886E+00 -0.0611 55 HSO3- 0.11270E-11 -11.9481 0.10733E-11 -11.9693 0.95231E+00 -0.0212 56 HSO4- 0.85566E-05 -5.0677 0.81492E-05 -5.0889 0.95239E+00 -0.0212 57 HSO5- 0.14085E-58 -58.8513 0.13413E-58 -58.8725 0.95231E+00 -0.0212 58 S2O3-2 0.28701E-09 -9.5421 0.24923E-09 -9.6034 0.86839E+00 -0.0613 59 HS2O3- 0.68537E-11 -11.1641 0.65269E-11 -11.1853 0.95231E+00 -0.0212 60 H2S2O3,aq 0.13640E-13 -13.8652 0.13640E-13 -13.8652 0.10000E+01 0.0000 61 S2O4-2 0.10527E-28 -28.9777 0.91415E-29 -29.0390 0.86839E+00 -0.0613 62 HS2O4- 0.16156E-29 -29.7917 0.15386E-29 -29.8129 0.95231E+00 -0.0212 63 H2S2O4,aq 0.19329E-32 -32.7138 0.19329E-32 -32.7138 0.10000E+01 0.0000 64 S2O5-2 0.20217E-28 -28.6943 0.17556E-28 -28.7556 0.86839E+00 -0.0613 65 S2O6-2 0.10547E-30 -30.9769 0.91588E-31 -31.0382 0.86839E+00 -0.0613 66 S2O8-2 0.80899E-71 -71.0921 0.70252E-71 -71.1533 0.86839E+00 -0.0613 67 S3O6-2 0.36068E-32 -32.4429 0.31321E-32 -32.5042 0.86839E+00 -0.0613 68 S4O6-2 0.99340E-18 -18.0029 0.86266E-18 -18.0642 0.86839E+00 -0.0613 69 S5O6-2 0.36068E-32 -32.4429 0.31321E-32 -32.5042 0.86839E+00 -0.0613 Charge balance for all species = -.2701E-17 Component Molality Aq.molality ppm log[A(N)/A(H+)**Z] (total) 1 H+ 0.5677581E-03 0.3112826E-02 0.3137126E+01 0.0000 2 H2O 0.1000000E+01 0.5550597E+02 0.9998243E+06 0.0000 3 Cl- 0.1858759E-03 0.1858945E-03 0.6589646E+01 -0.4851 4 SO4-- 0.1820828E-03 0.1906398E-03 0.1831073E+02 2.7328 5 HCO3- 0.1995044E-05 0.2277308E-02 0.1389365E+03 -2.4544 6 HS- 0.5101436E-07 0.2557604E-03 0.8457387E+01 -4.0466 7 Na+ 0.9994318E-07 0.9994606E-07 0.2297436E-02 -3.7546 8 F- 0.7213208E-05 0.1268329E-04 0.2409251E+00 -1.8962 9 NH4+ 0.9994596E-50 0.9994606E-50 0.1802648E-45 -46.7545 Component Tot moles Aq. moles Solid moles Gas moles 1 H+ 0.3513422E-02 0.3114506E-02 0.3989163E-03 0.0000000E+00 2 H2O 0.5553561E+02 0.5553593E+02 -.3191330E-03 0.0000000E+00 3 Cl- 0.1859949E-03 0.1859949E-03 0.0000000E+00 0.0000000E+00 4 SO4-- 0.2705259E-03 0.1907426E-03 0.7978326E-04 0.0000000E+00 5 HCO3- 0.2278537E-02 0.2278537E-02 0.0000000E+00 0.0000000E+00 6 HS- 0.4952482E-03 0.2558984E-03 0.2393498E-03 0.0000000E+00 7 Na+ 0.1000000E-06 0.1000000E-06 0.0000000E+00 0.0000000E+00 8 F- 0.1269013E-04 0.1269013E-04 0.0000000E+00 0.0000000E+00 9 NH4+ 0.1000000E-49 0.1000000E-49 0.0000000E+00 0.0000000E+00 Chg. balance for solid moles: -.2711E-19 Mass of aqueous solution: 0.100067E+04 g Temperature = 25.00 C Pressure = 1.00 bar Mixer frac. = 0.0007000 Log Log Vol Gas or mineral Moles Moles Grams Grams Wt.% (cm3) sulfur 0.3191E-03 -3.496 0.1023E-01 -1.990 100.0 0.4950E-02 Partial press. Fugacity coef Log fugacity Gas or Mineral Mole fraction or activity Activity coef Log activity sulfur 0.1000E+01 0.1000E+01 1.0000 0.000 Total fraction of mixing solution added: 0.0007000 Solid products produced: Mass = 0.010231 g Volume = 0.004950 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 ( 1 iterations) ------------------------------------------------- Temperature: 25.0000 deg.C Sat. pressure: 1.4277 bar Gas Mole fraction phi Fugacity Partial P(bar) H2O,gas 0.2217E-01 0.9741 0.3083E-01 0.3165E-01 CO2,gas 0.4696E-01 0.9943 0.6666E-01 0.6704E-01 CH4,gas 0.4301E-12 1.0046 0.6169E-12 0.6140E-12 H2,gas 0.2304E-08 1.0009 0.3293E-08 0.3290E-08 H2S,gas 0.1480E-02 0.9902 0.2092E-02 0.2113E-02 S2,gas 0.1105E-13 1.0000 0.1578E-13 0.1578E-13 CO,gas 0.4807E-13 1.0000 0.6862E-13 0.6862E-13 NO2,gas 0.6163-123 1.0000 0.8799-123 0.8799-123 SO3,gas 0.4321E-34 1.0000 0.6169E-34 0.6169E-34 O2,gas 0.9294E+00 1.0000 0.1327E+01 0.1327E+01 NH3,gas 0.1129E-57 1.0000 0.1612E-57 0.1612E-57 N2,gas 0.8884E-96 1.0000 0.1268E-95 0.1268E-95 SO2,gas 0.1992E-13 1.0000 0.2843E-13 0.2843E-13 HF,gas 0.2015E-09 1.0000 0.2877E-09 0.2877E-09 NON-Ideal mixing with H2O, CO2, CH4 Gases ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ The following gases and minerals are presently in matrix or were just added Gas or Mineral Log K Log Q Log(Q/K) Log(Q/K)/S Affinity Log Fugacity 19 sulfur -10.52 -10.52 0.00 0.000 0.24235E-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 1.51 0.00 -1.51 -1.511 0.20615E+04 -1.511 2 CO2,gas -7.81 -8.99 -1.18 -0.392 0.16046E+04 -1.176 3 CH4,gas 2.98 -9.23 -12.21 -3.052 0.16658E+05 -12.210 4 H2,gas 8.42 -0.06 -8.48 -4.847 0.11572E+05 -8.482 5 H2S,gas -7.90 -10.58 -2.68 -1.340 0.36555E+04 -2.679 6 S2,gas -7.24 -21.04 -13.80 -2.123 0.18830E+05 -13.802 7 CO,gas 4.11 -9.05 -13.16 -4.050 0.17959E+05 -13.164 8 NO2,gas 76.52 -46.54 -123.06 -28.127 0.16788E+06 -123.056 9 SO3,gas 23.88 -10.33 -34.21 -8.552 0.46672E+05 -34.210 10 O2,gas 66.26 0.12 -66.14 -44.090 0.90227E+05 -66.135 11 NH3,gas 11.04 -46.75 -57.79 -28.896 0.78846E+05 -57.793 12 N2,gas 2.57 -93.32 -95.90 -12.374 0.13083E+06 -95.897 13 SO2,gas 3.15 -10.40 -13.55 -3.612 0.18481E+05 -13.546 14 HF,gas 1.11 -8.43 -9.54 -4.771 0.13017E+05 -9.541 15 HCl,gas 6.31 -7.02 -13.32 -6.662 0.18179E+05 -13.325 16 diamond -4.48 -9.11 -4.63 -1.324 0.63220E+04 17 graphite -4.99 -9.11 -4.12 -1.179 0.56276E+04 Calculations done for 25.0000 Deg. C; 1.0000 bar Mixer fraction: 0.0007000 Fract. of mixing solution added: 0.000100 BITMOL = 0.3909E-02 OLDMOL = 0.5554E+02 New heat: 0.000 New temperature: 25.000 New mixer fraction: 0.0008000 Resulting temperature: 25.000Deg. C Solids and gases carried Charge balance check after fractionation or titration: TBAL = -.5455E-18 ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ Merapi workup for air saturated water (ASW). Oxygen part already done in Solveq. N2 addition fails. Try a bit of Merapi gas first. ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ Number of loops used = 9 Loop limit = 400 Temperature = 25.00 C Pressure = 1.00 bar Mixer fraction = 0.0008000 Water: Moles liquid = 0.5554E+02 kg liquid = 0.1001E+01 Moles total = 0.5554E+02 kg total = 0.1001E+01 Activity = 0.9999 Stoichiometric ionic strength = .1908403E-02 Osmotic coef. = 0.9733 True ionic strength = .7546518E-03 Chg. balance for total moles = -.5455E-18 Max. difference allowed = 0.2126E-07 Log Log Log Species(n) Molality Molality Activity Activity Gamma Gamma 1 H+ 0.58007E-03 -3.2365 0.55255E-03 -3.2576 0.95256E+00 -0.0211 2 H2O 0.99995E+00 0.0000 0.99995E+00 0.0000 3 Cl- 0.21240E-03 -3.6728 0.20225E-03 -3.6941 0.95221E+00 -0.0213 4 SO4-- 0.17448E-03 -3.7583 0.15147E-03 -3.8197 0.86813E+00 -0.0614 5 HCO3- 0.22318E-05 -5.6513 0.21253E-05 -5.6726 0.95225E+00 -0.0212 6 HS- 0.49946E-07 -7.3015 0.47559E-07 -7.3228 0.95222E+00 -0.0213 7 Na+ 0.99935E-07 -7.0003 0.95158E-07 -7.0216 0.95220E+00 -0.0213 8 F- 0.81593E-05 -5.0883 0.77692E-05 -5.1096 0.95219E+00 -0.0213 9 NH4+ 0.99938E-50 -50.0003 0.95167E-50 -50.0215 0.95226E+00 -0.0212 10 CH4,aq 0.85407E-15 -15.0685 0.85369E-15 -15.0687 0.99956E+00 -0.0002 11 C2H6,aq 0.18247E-30 -30.7388 0.18238E-30 -30.7390 0.99956E+00 -0.0002 12 C3H8,aq 0.19947E-44 -44.7001 0.19938E-44 -44.7003 0.99956E+00 -0.0002 13 C4H10,aq 0.19167E-58 -58.7174 0.19159E-58 -58.7176 0.99956E+00 -0.0002 14 ethanol,aq 0.10953E-34 -34.9605 0.10949E-34 -34.9606 0.99956E+00 -0.0002 15 CO,aq 0.77169E-16 -16.1126 0.77169E-16 -16.1126 0.10000E+01 0.0000 16 CO2,aq 0.26002E-02 -2.5850 0.25990E-02 -2.5852 0.99956E+00 -0.0002 17 CO3-2 0.20772E-12 -12.6825 0.18032E-12 -12.7440 0.86807E+00 -0.0614 18 HCN,aq 0.58692E-77 -77.2314 0.58692E-77 -77.2314 0.10000E+01 0.0000 19 CN- 0.64784E-83 -83.1885 0.61688E-83 -83.2098 0.95221E+00 -0.0213 20 OCN- 0.10159E-68 -68.9932 0.96732E-69 -69.0144 0.95221E+00 -0.0213 21 SCN- 0.58542E-69 -69.2325 0.55745E-69 -69.2538 0.95221E+00 -0.0213 22 HCl,aq 0.21790E-07 -7.6617 0.21790E-07 -7.6617 0.10000E+01 0.0000 23 HClO,aq 0.95198E-49 -49.0214 0.95198E-49 -49.0214 0.10000E+01 0.0000 24 ClO- 0.50994E-53 -53.2925 0.48557E-53 -53.3137 0.95221E+00 -0.0213 25 HClO2,aq 0.76558E-97 -97.1160 0.76558E-97 -97.1160 0.10000E+01 0.0000 26 HF,aq 0.63205E-05 -5.1993 0.63205E-05 -5.1993 0.10000E+01 0.0000 27 HF2- 0.12456E-10 -10.9046 0.11861E-10 -10.9259 0.95221E+00 -0.0213 28 H2,aq 0.25811E-11 -11.5882 0.25799E-11 -11.5884 0.99956E+00 -0.0002 29 NH3,aq 0.98924E-56 -56.0047 0.98880E-56 -56.0049 0.99956E+00 -0.0002 30 HNO2,aq 0.34059-109 -109.4678 0.34059-109 -109.4678 0.10000E+01 0.0000 31 NO2- 0.38559-109 -109.4139 0.36716-109 -109.4351 0.95221E+00 -0.0213 32 HNO3,aq 0.52674-133 -133.2784 0.52674-133 -133.2784 0.10000E+01 0.0000 33 NO3- 0.20063-128 -128.6976 0.19108-128 -128.7188 0.95240E+00 -0.0212 34 N2,aq 0.78992E-99 -99.1024 0.78956E-99 -99.1026 0.99956E+00 -0.0002 35 N2O2-2 0.50516-188 -188.2966 0.43851-188 -188.3580 0.86807E+00 -0.0614 36 HN2O2- 0.25155-180 -180.5994 0.23953-180 -180.6206 0.95221E+00 -0.0213 37 H2N2O2,aq 0.14412-176 -176.8413 0.14412-176 -176.8413 0.10000E+01 0.0000 38 N2H5+ 0.27557-130 -130.5598 0.26241-130 -130.5810 0.95226E+00 -0.0212 39 N2H6+2 0.15699-134 -134.8041 0.13626-134 -134.8656 0.86794E+00 -0.0615 40 NaCl,aq 0.32161E-11 -11.4927 0.32161E-11 -11.4927 0.10000E+01 0.0000 41 NaF,aq 0.74271E-13 -13.1292 0.74271E-13 -13.1292 0.10000E+01 0.0000 42 NaOH,aq 0.10741E-17 -17.9690 0.10741E-17 -17.9690 0.10000E+01 0.0000 43 O2,aq 0.92242E-69 -69.0351 0.92201E-69 -69.0353 0.99956E+00 -0.0002 44 OH- 0.19226E-10 -10.7161 0.18306E-10 -10.7374 0.95219E+00 -0.0213 45 HO2- 0.28329E-59 -59.5478 0.26976E-59 -59.5690 0.95221E+00 -0.0213 46 H2O2,aq 0.72002E-51 -51.1427 0.72002E-51 -51.1427 0.10000E+01 0.0000 47 H2S,aq 0.25574E-03 -3.5922 0.25563E-03 -3.5924 0.99956E+00 -0.0002 48 S2-2 0.14632E-15 -15.8347 0.12702E-15 -15.8961 0.86807E+00 -0.0614 49 S3-2 0.15535E-14 -14.8087 0.13485E-14 -14.8701 0.86807E+00 -0.0614 50 S3- 0.24558E-10 -10.6098 0.23385E-10 -10.6311 0.95221E+00 -0.0213 51 S4-2 0.99382E-14 -14.0027 0.86270E-14 -14.0641 0.86807E+00 -0.0614 52 S5-2 0.38310E-13 -13.4167 0.33255E-13 -13.4781 0.86807E+00 -0.0614 53 SO2,aq 0.42047E-13 -13.3763 0.42047E-13 -13.3763 0.10000E+01 0.0000 54 SO3-2 0.13651E-15 -15.8648 0.11857E-15 -15.9260 0.86853E+00 -0.0612 55 HSO3- 0.11031E-11 -11.9574 0.10504E-11 -11.9787 0.95221E+00 -0.0213 56 HSO4- 0.83740E-05 -5.0771 0.79745E-05 -5.0983 0.95229E+00 -0.0212 57 HSO5- 0.13783E-58 -58.8607 0.13124E-58 -58.8819 0.95221E+00 -0.0213 58 S2O3-2 0.27505E-09 -9.5606 0.23876E-09 -9.6220 0.86807E+00 -0.0614 59 HS2O3- 0.67082E-11 -11.1734 0.63876E-11 -11.1947 0.95221E+00 -0.0213 60 H2S2O3,aq 0.13637E-13 -13.8653 0.13637E-13 -13.8653 0.10000E+01 0.0000 61 S2O4-2 0.10087E-28 -28.9962 0.87565E-29 -29.0577 0.86807E+00 -0.0614 62 HS2O4- 0.15811E-29 -29.8010 0.15056E-29 -29.8223 0.95221E+00 -0.0213 63 H2S2O4,aq 0.19323E-32 -32.7139 0.19323E-32 -32.7139 0.10000E+01 0.0000 64 S2O5-2 0.19371E-28 -28.7129 0.16815E-28 -28.7743 0.86807E+00 -0.0614 65 S2O6-2 0.10104E-30 -30.9955 0.87713E-31 -31.0569 0.86807E+00 -0.0614 66 S2O8-2 0.77489E-71 -71.1108 0.67266E-71 -71.1722 0.86807E+00 -0.0614 67 S3O6-2 0.34555E-32 -32.4615 0.29996E-32 -32.5229 0.86807E+00 -0.0614 68 S4O6-2 0.95172E-18 -18.0215 0.82616E-18 -18.0829 0.86807E+00 -0.0614 69 S5O6-2 0.34555E-32 -32.4615 0.29996E-32 -32.5229 0.86807E+00 -0.0614 Charge balance for all species = -.2343E-17 Component Molality Aq.molality ppm log[A(N)/A(H+)**Z] (total) 1 H+ 0.5800724E-03 0.3450720E-02 0.3477607E+01 0.0000 2 H2O 0.1000000E+01 0.5550565E+02 0.9998039E+06 0.0000 3 Cl- 0.2123982E-03 0.2124200E-03 0.7529819E+01 -0.4365 4 SO4-- 0.1744792E-03 0.1828535E-03 0.1756262E+02 2.6956 5 HCO3- 0.2231845E-05 0.2602420E-02 0.1587690E+03 -2.4150 6 HS- 0.4994606E-07 0.2557935E-03 0.8458360E+01 -4.0651 7 Na+ 0.9993494E-07 0.9993823E-07 0.2297222E-02 -3.7639 8 F- 0.8159286E-05 0.1447977E-04 0.2750462E+00 -1.8520 9 NH4+ 0.9993813E-50 0.9993823E-50 0.1802481E-45 -46.7639 Component Tot moles Aq. moles Solid moles Gas moles 1 H+ 0.3998168E-02 0.3452853E-02 0.5453153E-03 0.0000000E+00 2 H2O 0.5553952E+02 0.5553996E+02 -.4362522E-03 0.0000000E+00 3 Cl- 0.2125513E-03 0.2125513E-03 0.0000000E+00 0.0000000E+00 4 SO4-- 0.2920296E-03 0.1829665E-03 0.1090631E-03 0.0000000E+00 5 HCO3- 0.2604028E-02 0.2604028E-02 0.0000000E+00 0.0000000E+00 6 HS- 0.5831408E-03 0.2559516E-03 0.3271892E-03 0.0000000E+00 7 Na+ 0.1000000E-06 0.1000000E-06 0.0000000E+00 0.0000000E+00 8 F- 0.1448872E-04 0.1448872E-04 0.0000000E+00 0.0000000E+00 9 NH4+ 0.1000000E-49 0.1000000E-49 0.0000000E+00 0.0000000E+00 Chg. balance for solid moles: 0.5421E-19 Mass of aqueous solution: 0.100077E+04 g Temperature = 25.00 C Pressure = 1.00 bar Mixer frac. = 0.0008000 Log Log Vol Gas or mineral Moles Moles Grams Grams Wt.% (cm3) sulfur 0.4363E-03 -3.360 0.1399E-01 -1.854 100.0 0.6766E-02 Partial press. Fugacity coef Log fugacity Gas or Mineral Mole fraction or activity Activity coef Log activity sulfur 0.1000E+01 0.1000E+01 1.0000 0.000 Total fraction of mixing solution added: 0.0008000 Solid products produced: Mass = 0.013986 g Volume = 0.006766 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 ( 1 iterations) ------------------------------------------------- Temperature: 25.0000 deg.C Sat. pressure: 1.4370 bar Gas Mole fraction phi Fugacity Partial P(bar) H2O,gas 0.2200E-01 0.9752 0.3083E-01 0.3162E-01 CO2,gas 0.5335E-01 0.9937 0.7617E-01 0.7666E-01 CH4,gas 0.4888E-12 1.0040 0.7052E-12 0.7023E-12 H2,gas 0.2290E-08 1.0009 0.3293E-08 0.3290E-08 H2S,gas 0.1471E-02 0.9901 0.2092E-02 0.2113E-02 S2,gas 0.1098E-13 1.0000 0.1578E-13 0.1578E-13 CO,gas 0.5458E-13 1.0000 0.7842E-13 0.7842E-13 NO2,gas 0.5991-123 1.0000 0.8608-123 0.8608-123 SO3,gas 0.4292E-34 1.0000 0.6167E-34 0.6167E-34 O2,gas 0.9232E+00 1.0000 0.1327E+01 0.1327E+01 NH3,gas 0.1098E-57 1.0000 0.1578E-57 0.1578E-57 N2,gas 0.8452E-96 1.0000 0.1214E-95 0.1214E-95 SO2,gas 0.1978E-13 1.0000 0.2843E-13 0.2843E-13 HF,gas 0.2314E-09 1.0000 0.3325E-09 0.3325E-09 NON-Ideal mixing with H2O, CO2, CH4 Gases ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ The following gases and minerals are presently in matrix or were just added Gas or Mineral Log K Log Q Log(Q/K) Log(Q/K)/S Affinity Log Fugacity 19 sulfur -10.52 -10.52 0.00 0.000 0.24235E-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 1.51 0.00 -1.51 -1.511 0.20615E+04 -1.511 2 CO2,gas -7.81 -8.93 -1.12 -0.373 0.15255E+04 -1.118 3 CH4,gas 2.98 -9.18 -12.15 -3.038 0.16578E+05 -12.152 4 H2,gas 8.42 -0.06 -8.48 -4.847 0.11572E+05 -8.482 5 H2S,gas -7.90 -10.58 -2.68 -1.340 0.36555E+04 -2.679 6 S2,gas -7.24 -21.04 -13.80 -2.123 0.18830E+05 -13.802 7 CO,gas 4.11 -8.99 -13.11 -4.032 0.17880E+05 -13.106 8 NO2,gas 76.52 -46.55 -123.07 -28.129 0.16790E+06 -123.065 9 SO3,gas 23.88 -10.33 -34.21 -8.552 0.46672E+05 -34.210 10 O2,gas 66.26 0.12 -66.14 -44.090 0.90227E+05 -66.135 11 NH3,gas 11.04 -46.76 -57.80 -28.901 0.78858E+05 -57.802 12 N2,gas 2.57 -93.34 -95.92 -12.376 0.13086E+06 -95.916 13 SO2,gas 3.15 -10.40 -13.55 -3.612 0.18481E+05 -13.546 14 HF,gas 1.11 -8.37 -9.48 -4.739 0.12931E+05 -9.478 15 HCl,gas 6.31 -6.95 -13.26 -6.629 0.18087E+05 -13.258 16 diamond -4.48 -9.05 -4.58 -1.307 0.62429E+04 17 graphite -4.99 -9.05 -4.07 -1.162 0.55484E+04 Calculations done for 25.0000 Deg. C; 1.0000 bar Mixer fraction: 0.0008000 Fract. of mixing solution added: 0.000100 BITMOL = 0.3909E-02 OLDMOL = 0.5554E+02 New heat: 0.000 New temperature: 25.000 New mixer fraction: 0.0009000 Resulting temperature: 25.000Deg. C Solids and gases carried Charge balance check after fractionation or titration: TBAL = -.6166E-18 ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ Merapi workup for air saturated water (ASW). Oxygen part already done in Solveq. N2 addition fails. Try a bit of Merapi gas first. ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ Number of loops used = 9 Loop limit = 400 Temperature = 25.00 C Pressure = 1.00 bar Mixer fraction = 0.0009000 Water: Moles liquid = 0.5555E+02 kg liquid = 0.1001E+01 Moles total = 0.5554E+02 kg total = 0.1001E+01 Activity = 0.9999 Stoichiometric ionic strength = .2069764E-02 Osmotic coef. = 0.9728 True ionic strength = .7595314E-03 Chg. balance for total moles = -.6166E-18 Max. difference allowed = 0.2391E-07 Log Log Log Species(n) Molality Molality Activity Activity Gamma Gamma 1 H+ 0.59248E-03 -3.2273 0.56432E-03 -3.2485 0.95246E+00 -0.0212 2 H2O 0.99994E+00 0.0000 0.99994E+00 0.0000 3 Cl- 0.23892E-03 -3.6218 0.22748E-03 -3.6431 0.95211E+00 -0.0213 4 SO4-- 0.16695E-03 -3.7774 0.14487E-03 -3.8390 0.86779E+00 -0.0616 5 HCO3- 0.24585E-05 -5.6093 0.23408E-05 -5.6306 0.95215E+00 -0.0213 6 HS- 0.48948E-07 -7.3103 0.46604E-07 -7.3316 0.95212E+00 -0.0213 7 Na+ 0.99927E-07 -7.0003 0.95140E-07 -7.0216 0.95210E+00 -0.0213 8 F- 0.90874E-05 -5.0416 0.86520E-05 -5.0629 0.95209E+00 -0.0213 9 NH4+ 0.99930E-50 -50.0003 0.95149E-50 -50.0216 0.95216E+00 -0.0213 10 CH4,aq 0.96380E-15 -15.0160 0.96333E-15 -15.0162 0.99952E+00 -0.0002 11 C2H6,aq 0.23217E-30 -30.6342 0.23206E-30 -30.6344 0.99952E+00 -0.0002 12 C3H8,aq 0.28618E-44 -44.5434 0.28604E-44 -44.5436 0.99952E+00 -0.0002 13 C4H10,aq 0.31007E-58 -58.5085 0.30992E-58 -58.5087 0.99952E+00 -0.0002 14 ethanol,aq 0.13926E-34 -34.8562 0.13920E-34 -34.8564 0.99952E+00 -0.0002 15 CO,aq 0.86875E-16 -16.0611 0.86875E-16 -16.0611 0.10000E+01 0.0000 16 CO2,aq 0.29250E-02 -2.5339 0.29236E-02 -2.5341 0.99952E+00 -0.0002 17 CO3-2 0.22411E-12 -12.6495 0.19447E-12 -12.7112 0.86773E+00 -0.0616 18 HCN,aq 0.64685E-77 -77.1892 0.64685E-77 -77.1892 0.10000E+01 0.0000 19 CN- 0.69918E-83 -83.1554 0.66570E-83 -83.1767 0.95211E+00 -0.0213 20 OCN- 0.10955E-68 -68.9604 0.10430E-68 -68.9817 0.95211E+00 -0.0213 21 SCN- 0.63181E-69 -69.1994 0.60155E-69 -69.2207 0.95211E+00 -0.0213 22 HCl,aq 0.25030E-07 -7.6015 0.25030E-07 -7.6015 0.10000E+01 0.0000 23 HClO,aq 0.10927E-48 -48.9615 0.10927E-48 -48.9615 0.10000E+01 0.0000 24 ClO- 0.57315E-53 -53.2417 0.54570E-53 -53.2630 0.95211E+00 -0.0213 25 HClO2,aq 0.87803E-97 -97.0565 0.87803E-97 -97.0565 0.10000E+01 0.0000 26 HF,aq 0.71886E-05 -5.1434 0.71886E-05 -5.1434 0.10000E+01 0.0000 27 HF2- 0.15779E-10 -10.8019 0.15023E-10 -10.8232 0.95211E+00 -0.0213 28 H2,aq 0.25832E-11 -11.5878 0.25820E-11 -11.5880 0.99952E+00 -0.0002 29 NH3,aq 0.96848E-56 -56.0139 0.96801E-56 -56.0141 0.99952E+00 -0.0002 30 HNO2,aq 0.33264-109 -109.4780 0.33264-109 -109.4780 0.10000E+01 0.0000 31 NO2- 0.36877-109 -109.4332 0.35111-109 -109.4546 0.95211E+00 -0.0213 32 HNO3,aq 0.51404-133 -133.2890 0.51404-133 -133.2890 0.10000E+01 0.0000 33 NO3- 0.19173-128 -128.7173 0.18259-128 -128.7385 0.95231E+00 -0.0212 34 N2,aq 0.75529E-99 -99.1219 0.75493E-99 -99.1221 0.99952E+00 -0.0002 35 N2O2-2 0.46288-188 -188.3345 0.40165-188 -188.3961 0.86773E+00 -0.0616 36 HN2O2- 0.23534-180 -180.6283 0.22407-180 -180.6496 0.95211E+00 -0.0213 37 H2N2O2,aq 0.13769-176 -176.8611 0.13769-176 -176.8611 0.10000E+01 0.0000 38 N2H5+ 0.26954-130 -130.5694 0.25665-130 -130.5907 0.95216E+00 -0.0213 39 N2H6+2 0.15687-134 -134.8045 0.13610-134 -134.8661 0.86760E+00 -0.0617 40 NaCl,aq 0.36166E-11 -11.4417 0.36166E-11 -11.4417 0.10000E+01 0.0000 41 NaF,aq 0.82695E-13 -13.0825 0.82695E-13 -13.0825 0.10000E+01 0.0000 42 NaOH,aq 0.10515E-17 -17.9782 0.10515E-17 -17.9782 0.10000E+01 0.0000 43 O2,aq 0.92099E-69 -69.0357 0.92055E-69 -69.0360 0.99952E+00 -0.0002 44 OH- 0.18827E-10 -10.7252 0.17925E-10 -10.7466 0.95209E+00 -0.0213 45 HO2- 0.27719E-59 -59.5572 0.26392E-59 -59.5785 0.95211E+00 -0.0213 46 H2O2,aq 0.71945E-51 -51.1430 0.71945E-51 -51.1430 0.10000E+01 0.0000 47 H2S,aq 0.25595E-03 -3.5918 0.25583E-03 -3.5920 0.99952E+00 -0.0002 48 S2-2 0.14045E-15 -15.8525 0.12187E-15 -15.9141 0.86773E+00 -0.0616 49 S3-2 0.14911E-14 -14.8265 0.12939E-14 -14.8881 0.86773E+00 -0.0616 50 S3- 0.24058E-10 -10.6187 0.22906E-10 -10.6401 0.95211E+00 -0.0213 51 S4-2 0.95393E-14 -14.0205 0.82775E-14 -14.0821 0.86773E+00 -0.0616 52 S5-2 0.36772E-13 -13.4345 0.31908E-13 -13.4961 0.86773E+00 -0.0616 53 SO2,aq 0.41980E-13 -13.3770 0.41980E-13 -13.3770 0.10000E+01 0.0000 54 SO3-2 0.13072E-15 -15.8836 0.11349E-15 -15.9450 0.86820E+00 -0.0614 55 HSO3- 0.10785E-11 -11.9672 0.10268E-11 -11.9885 0.95211E+00 -0.0213 56 HSO4- 0.81808E-05 -5.0872 0.77897E-05 -5.1085 0.95219E+00 -0.0213 57 HSO5- 0.13454E-58 -58.8711 0.12810E-58 -58.8925 0.95211E+00 -0.0213 58 S2O3-2 0.26338E-09 -9.5794 0.22854E-09 -9.6410 0.86773E+00 -0.0616 59 HS2O3- 0.65585E-11 -11.1832 0.62445E-11 -11.2045 0.95211E+00 -0.0213 60 H2S2O3,aq 0.13615E-13 -13.8660 0.13615E-13 -13.8660 0.10000E+01 0.0000 61 S2O4-2 0.96518E-29 -29.0154 0.83752E-29 -29.0770 0.86773E+00 -0.0616 62 HS2O4- 0.15446E-29 -29.8112 0.14707E-29 -29.8325 0.95211E+00 -0.0213 63 H2S2O4,aq 0.19277E-32 -32.7150 0.19277E-32 -32.7150 0.10000E+01 0.0000 64 S2O5-2 0.18520E-28 -28.7324 0.16070E-28 -28.7940 0.86773E+00 -0.0616 65 S2O6-2 0.96528E-31 -31.0153 0.83761E-31 -31.0770 0.86773E+00 -0.0616 66 S2O8-2 0.73910E-71 -71.1313 0.64134E-71 -71.1929 0.86773E+00 -0.0616 67 S3O6-2 0.33011E-32 -32.4813 0.28644E-32 -32.5430 0.86773E+00 -0.0616 68 S4O6-2 0.90919E-18 -18.0413 0.78893E-18 -18.1030 0.86773E+00 -0.0616 69 S5O6-2 0.33011E-32 -32.4813 0.28644E-32 -32.5430 0.86773E+00 -0.0616 Charge balance for all species = -.1629E-17 Component Molality Aq.molality ppm log[A(N)/A(H+)**Z] (total) 1 H+ 0.5924849E-03 0.3788855E-02 0.3818321E+01 0.0000 2 H2O 0.1000000E+01 0.5550533E+02 0.9997835E+06 0.0000 3 Cl- 0.2389162E-03 0.2389413E-03 0.8469816E+01 -0.3946 4 SO4-- 0.1669462E-03 0.1751273E-03 0.1682029E+02 2.6579 5 HCO3- 0.2458458E-05 0.2927480E-02 0.1785978E+03 -2.3822 6 HS- 0.4894805E-07 0.2560029E-03 0.8465161E+01 -4.0831 7 Na+ 0.9992670E-07 0.9993040E-07 0.2297009E-02 -3.7732 8 F- 0.9087382E-05 0.1627597E-04 0.3091610E+00 -1.8144 9 NH4+ 0.9993031E-50 0.9993040E-50 0.1802313E-45 -46.7731 Component Tot moles Aq. moles Solid moles Gas moles 1 H+ 0.4482914E-02 0.3791494E-02 0.6914203E-03 0.0000000E+00 2 H2O 0.5554343E+02 0.5554398E+02 -.5531362E-03 0.0000000E+00 3 Cl- 0.2391077E-03 0.2391077E-03 0.0000000E+00 0.0000000E+00 4 SO4-- 0.3135333E-03 0.1752492E-03 0.1382841E-03 0.0000000E+00 5 HCO3- 0.2929519E-02 0.2929519E-02 0.0000000E+00 0.0000000E+00 6 HS- 0.6710334E-03 0.2561812E-03 0.4148522E-03 0.0000000E+00 7 Na+ 0.1000000E-06 0.1000000E-06 0.0000000E+00 0.0000000E+00 8 F- 0.1628731E-04 0.1628731E-04 0.0000000E+00 0.0000000E+00 9 NH4+ 0.1000000E-49 0.1000000E-49 0.0000000E+00 0.0000000E+00 Chg. balance for solid moles: 0.0000E+00 Mass of aqueous solution: 0.100086E+04 g Temperature = 25.00 C Pressure = 1.00 bar Mixer frac. = 0.0009000 Log Log Vol Gas or mineral Moles Moles Grams Grams Wt.% (cm3) sulfur 0.5531E-03 -3.257 0.1773E-01 -1.751 100.0 0.8579E-02 Partial press. Fugacity coef Log fugacity Gas or Mineral Mole fraction or activity Activity coef Log activity sulfur 0.1000E+01 0.1000E+01 1.0000 0.000 Total fraction of mixing solution added: 0.0009000 Solid products produced: Mass = 0.017734 g Volume = 0.008579 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 ( 1 iterations) ------------------------------------------------- Temperature: 25.0000 deg.C Sat. pressure: 1.4445 bar Gas Mole fraction phi Fugacity Partial P(bar) H2O,gas 0.2187E-01 0.9761 0.3083E-01 0.3158E-01 CO2,gas 0.5973E-01 0.9933 0.8569E-01 0.8627E-01 CH4,gas 0.5489E-12 1.0036 0.7958E-12 0.7929E-12 H2,gas 0.2279E-08 1.0009 0.3296E-08 0.3293E-08 H2S,gas 0.1464E-02 0.9901 0.2094E-02 0.2115E-02 S2,gas 0.1092E-13 1.0000 0.1578E-13 0.1578E-13 CO,gas 0.6112E-13 1.0000 0.8829E-13 0.8829E-13 NO2,gas 0.5818-123 1.0000 0.8404-123 0.8404-123 SO3,gas 0.4260E-34 1.0000 0.6153E-34 0.6153E-34 O2,gas 0.9169E+00 1.0000 0.1324E+01 0.1324E+01 NH3,gas 0.1069E-57 1.0000 0.1545E-57 0.1545E-57 N2,gas 0.8039E-96 1.0000 0.1161E-95 0.1161E-95 SO2,gas 0.1965E-13 1.0000 0.2838E-13 0.2838E-13 HF,gas 0.2618E-09 1.0000 0.3781E-09 0.3781E-09 NON-Ideal mixing with H2O, CO2, CH4 Gases ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ The following gases and minerals are presently in matrix or were just added Gas or Mineral Log K Log Q Log(Q/K) Log(Q/K)/S Affinity Log Fugacity 19 sulfur -10.52 -10.52 0.00 0.000 0.24235E-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 1.51 0.00 -1.51 -1.511 0.20615E+04 -1.511 2 CO2,gas -7.81 -8.88 -1.07 -0.356 0.14558E+04 -1.067 3 CH4,gas 2.98 -9.12 -12.10 -3.025 0.16507E+05 -12.099 4 H2,gas 8.42 -0.06 -8.48 -4.847 0.11572E+05 -8.482 5 H2S,gas -7.90 -10.58 -2.68 -1.340 0.36550E+04 -2.679 6 S2,gas -7.24 -21.04 -13.80 -2.123 0.18830E+05 -13.802 7 CO,gas 4.11 -8.94 -13.05 -4.017 0.17810E+05 -13.054 8 NO2,gas 76.52 -46.56 -123.08 -28.132 0.16791E+06 -123.076 9 SO3,gas 23.88 -10.34 -34.21 -8.553 0.46673E+05 -34.211 10 O2,gas 66.26 0.12 -66.14 -44.091 0.90228E+05 -66.136 11 NH3,gas 11.04 -46.77 -57.81 -28.906 0.78871E+05 -57.811 12 N2,gas 2.57 -93.36 -95.94 -12.379 0.13088E+06 -95.935 13 SO2,gas 3.15 -10.40 -13.55 -3.613 0.18482E+05 -13.547 14 HF,gas 1.11 -8.31 -9.42 -4.711 0.12855E+05 -9.422 15 HCl,gas 6.31 -6.89 -13.20 -6.599 0.18005E+05 -13.198 16 diamond -4.48 -9.00 -4.52 -1.293 0.61722E+04 17 graphite -4.99 -9.00 -4.02 -1.147 0.54778E+04 Calculations done for 25.0000 Deg. C; 1.0000 bar Mixer fraction: 0.0009000 Fract. of mixing solution added: 0.000100 BITMOL = 0.3909E-02 OLDMOL = 0.5555E+02 New heat: 0.000 New temperature: 25.000 New mixer fraction: 0.0010000 Resulting temperature: 25.000Deg. C Mixing fraction reached given limit of 0.1000E-02 TOTMIX = 0.1000E-02 Execution stopped.