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. 0.16867E-03 0.25380E-04 0.9754 0.48474600E+01 H2O 2 0. 0.55509E+02 0.10000E+01 1.0000 0.39086794E+02 Cl- 3 -1. 0.27556E-05 0.27556E-05 0.9754 0.26556410E+00 SO4-- 4 -2. 0.12215E-03 0.10914E-04 0.9551 0.21503700E+00 HCO3- 5 -1. 0.32649E-04 0.59966E-06 0.9754 0.32549100E+01 HS- 6 -1. -0.11121E-03 0.25838-140 0.9754 0.87892600E+00 Na+ 7 1. 0.10000E-06 0.99999E-07 0.9754 0.00000000E+00 F- 8 -1. 0.27986E-06 0.27025E-06 0.9754 0.17985900E-01 NH4+ 9 1. 0.10000E-49 0.17182-104 0.9754 0.00000000E+00 Chg. balance for total moles = -.4129E-20 Max. difference allowed = 0.2756E-09 Chg. balance for the mixing solution = -.3331E-15 Max. difference allowed = 0.2756E-09 The following parameters were given: ERPC = 0.1000E-11 pH = 0.0000 PFLUID = 1.0000 SLIM = 0.100000E-03 TEMP = 25.0000 SINC = 0.1000E-04 TEMPC = 25.0000 TOTMIX = 0.100000E-04 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 = 0.0000100 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 = .2065862E-03 Osmotic coef. = 0.9892 True ionic strength = .3639416E-04 Chg. balance for total moles = -.4129E-20 Max. difference allowed = 0.2756E-09 Log Log Log Species(n) Molality Molality Activity Activity Gamma Gamma 1 H+ 0.25380E-04 -4.5955 0.24757E-04 -4.6063 0.97545E+00 -0.0108 2 H2O 0.10000E+01 0.0000 0.10000E+01 0.0000 3 Cl- 0.27556E-05 -5.5598 0.26879E-05 -5.5706 0.97543E+00 -0.0108 4 SO4-- 0.10914E-04 -4.9620 0.10425E-04 -4.9819 0.95515E+00 -0.0199 5 HCO3- 0.59966E-06 -6.2221 0.58493E-06 -6.2329 0.97543E+00 -0.0108 6 HS- 0.25838-140 -140.5877 0.25203-140 -140.5985 0.97543E+00 -0.0108 7 Na+ 0.99999E-07 -7.0000 0.97542E-07 -7.0108 0.97543E+00 -0.0108 8 F- 0.27025E-06 -6.5682 0.26361E-06 -6.5790 0.97543E+00 -0.0108 9 NH4+ 0.17182-104 -104.7649 0.16760-104 -104.7757 0.97543E+00 -0.0108 10 CH4,aq 0.18093-147 -147.7425 0.18092-147 -147.7425 0.99995E+00 0.0000 15 CO,aq 0.19374E-50 -50.7128 0.19374E-50 -50.7128 0.10000E+01 0.0000 16 CO2,aq 0.32049E-04 -4.4942 0.32048E-04 -4.4942 0.99995E+00 0.0000 17 CO3-2 0.11597E-11 -11.9357 0.11077E-11 -11.9556 0.95515E+00 -0.0199 18 HCN,aq 0.57917-165 -165.2372 0.57917-165 -165.2372 0.10000E+01 0.0000 19 CN- 0.13929-169 -169.8561 0.13587-169 -169.8669 0.97543E+00 -0.0108 20 OCN- 0.10727-122 -122.9695 0.10464-122 -122.9803 0.97543E+00 -0.0108 22 HCl,aq 0.12975E-10 -10.8869 0.12975E-10 -10.8869 0.10000E+01 0.0000 23 HClO,aq 0.27841E-19 -19.5553 0.27841E-19 -19.5553 0.10000E+01 0.0000 24 ClO- 0.32493E-22 -22.4882 0.31695E-22 -22.4990 0.97543E+00 -0.0108 25 HClO2,aq 0.10997E-34 -34.9587 0.10997E-34 -34.9587 0.10000E+01 0.0000 26 HF,aq 0.96084E-08 -8.0173 0.96084E-08 -8.0173 0.10000E+01 0.0000 27 HF2- 0.62721E-15 -15.2026 0.61180E-15 -15.2134 0.97543E+00 -0.0108 28 H2,aq 0.52534E-44 -44.2796 0.52532E-44 -44.2796 0.99995E+00 0.0000 29 NH3,aq 0.38869-109 -109.4104 0.38867-109 -109.4104 0.99995E+00 0.0000 30 HNO2,aq 0.15860E-64 -64.7997 0.15860E-64 -64.7997 0.10000E+01 0.0000 31 NO2- 0.39122E-63 -63.4076 0.38161E-63 -63.4184 0.97543E+00 -0.0108 32 HNO3,aq 0.12047E-55 -55.9191 0.12047E-55 -55.9191 0.10000E+01 0.0000 33 NO3- 0.99999E-50 -50.0000 0.97543E-50 -50.0108 0.97544E+00 -0.0108 34 N2,aq 0.14452-107 -107.8401 0.14451-107 -107.8401 0.99995E+00 0.0000 35 N2O2-2 0.20560-161 -161.6870 0.19638-161 -161.7069 0.95515E+00 -0.0199 36 HN2O2- 0.49270-155 -155.3074 0.48060-155 -155.3182 0.97543E+00 -0.0108 37 H2N2O2,aq 0.12956-152 -152.8875 0.12956-152 -152.8875 0.10000E+01 0.0000 40 NaCl,aq 0.43813E-13 -13.3584 0.43813E-13 -13.3584 0.10000E+01 0.0000 41 NaF,aq 0.25832E-14 -14.5878 0.25832E-14 -14.5878 0.10000E+01 0.0000 42 NaOH,aq 0.24575E-16 -16.6095 0.24575E-16 -16.6095 0.10000E+01 0.0000 43 O2,aq 0.22242E-03 -3.6528 0.22241E-03 -3.6528 0.99995E+00 0.0000 44 OH- 0.41890E-09 -9.3779 0.40861E-09 -9.3887 0.97543E+00 -0.0108 45 HO2- 0.30317E-25 -25.5183 0.29572E-25 -25.5291 0.97543E+00 -0.0108 46 H2O2,aq 0.35365E-18 -18.4514 0.35365E-18 -18.4514 0.10000E+01 0.0000 47 H2S,aq 0.60698-138 -138.2168 0.60695-138 -138.2168 0.99995E+00 0.0000 53 SO2,aq 0.11827E-49 -49.9271 0.11827E-49 -49.9271 0.10000E+01 0.0000 54 SO3-2 0.17394E-49 -49.7596 0.16615E-49 -49.7795 0.95517E+00 -0.0199 55 HSO3- 0.67607E-47 -47.1700 0.65946E-47 -47.1808 0.97543E+00 -0.0108 56 HSO4- 0.25209E-07 -7.5984 0.24590E-07 -7.6092 0.97544E+00 -0.0108 57 HSO5- 0.20377E-28 -28.6909 0.19876E-28 -28.7017 0.97543E+00 -0.0108 58 S2O3-2 0.40846-145 -145.3889 0.39014-145 -145.4088 0.95515E+00 -0.0199 59 HS2O3- 0.47942-148 -148.3193 0.46764-148 -148.3301 0.97543E+00 -0.0108 60 H2S2O3,aq 0.44731-152 -152.3494 0.44731-152 -152.3494 0.10000E+01 0.0000 61 S2O4-2 0.73574-132 -132.1333 0.70274-132 -132.1532 0.95515E+00 -0.0199 62 HS2O4- 0.55500-134 -134.2557 0.54136-134 -134.2665 0.97543E+00 -0.0108 63 H2S2O4,aq 0.31130-138 -138.5068 0.31130-138 -138.5068 0.10000E+01 0.0000 64 S2O5-2 0.69391E-99 -99.1587 0.66278E-99 -99.1786 0.95515E+00 -0.0199 65 S2O6-2 0.17778E-68 -68.7501 0.16980E-68 -68.7701 0.95515E+00 -0.0199 66 S2O8-2 0.32887E-43 -43.4830 0.31412E-43 -43.5029 0.95515E+00 -0.0199 67 S3O6-2 0.70893-172 -172.1494 0.67713-172 -172.1693 0.95515E+00 -0.0199 Charge balance for all species = -.1340E-20 Total fraction of mixing solution added: 0.0000100 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. ************ WARNING ! ************ PSAT calculation did not converge after 25 loops Gas composition at saturation ( 26 iterations) ------------------------------------------------- Temperature: 25.0000 deg.C Sat. pressure: 600.0000 bar Gas Mole fraction phi Fugacity Partial P(bar) H2O,gas 0.9635E-67 1.0000 0.3083E-01 0.3083E-01 CO2,gas 0.2935E-68 1.0000 0.9393E-03 0.9393E-03 CH4,gas 0.4670-210 1.0000 0.1494-144 0.1494-144 H2,gas 0.1110E-15 1.4792 0.6705E-41 0.4533E-41 H2S,gas 0.1552-202 0.1352 0.4968-137 0.3674-136 S2,gas 0.6703-283 1.0000 0.2145-217 0.2145-217 CO,gas 0.6153-113 1.0000 0.1969E-47 0.1969E-47 NO2,gas 0.2776-127 1.0000 0.8884E-62 0.8884E-62 SO3,gas 0.2663-103 1.0000 0.8520E-38 0.8520E-38 O2,gas 0.1000E+01 1.0000 0.3200E+66 0.3200E+66 NH3,gas 0.1938-176 1.0000 0.6203-111 0.6203-111 N2,gas 0.6946-170 1.0000 0.2223-104 0.2223-104 SO2,gas 0.2499-115 1.0000 0.7996E-50 0.7996E-50 HF,gas 0.1579E-77 1.0000 0.5054E-12 0.5054E-12 NON-Ideal mixing with H2O, CO2, CH4 Gases ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ The following gases and minerals are presently EXCLUDED from matrix (Gases and minerals with log(Q/K) less than -5 are not listed below) Gas or Mineral Log K Log Q Log(Q/K) Log(Q/K)/S Affinity Log Fugacity 1 H2O,gas 1.51 0.00 -1.51 -1.511 0.20614E+04 -1.511 2 CO2,gas -7.81 -10.84 -3.03 -1.009 0.41300E+04 -3.027 3 CH4,gas 2.98 -141.85 -144.83 -36.206 0.19758E+06 -144.826 4 H2,gas 8.42 -32.75 -41.17 -23.528 0.56173E+05 -41.174 5 H2S,gas -7.90 -145.20 -137.30 -68.652 0.18732E+06 -137.304 6 S2,gas -7.24 -224.90 -217.67 -33.487 0.29696E+06 -217.669 7 CO,gas 4.11 -43.59 -47.71 -14.679 0.65084E+05 -47.706 8 NO2,gas 76.52 14.46 -62.05 -14.183 0.84656E+05 -62.051 9 SO3,gas 23.88 -14.19 -38.07 -9.517 0.51938E+05 -38.070 10 O2,gas 66.26 65.51 -0.75 -0.502 0.10271E+04 -0.753 11 NH3,gas 11.04 -100.17 -111.21 -55.604 0.15172E+06 -111.207 12 N2,gas 2.57 -102.08 -104.65 -13.504 0.14278E+06 -104.653 13 SO2,gas 3.15 -46.95 -50.10 -13.359 0.68347E+05 -50.097 14 HF,gas 1.11 -11.19 -12.30 -6.148 0.16776E+05 -12.296 15 HCl,gas 6.31 -10.18 -16.48 -8.241 0.22487E+05 -16.483 Calculations done for 25.0000 Deg. C; 1.0000 bar Mixer fraction: 0.0000100 Fract. of mixing solution added: 0.000010 BITMOL = 0.3909E-03 OLDMOL = 0.5551E+02 New heat: 0.000 New temperature: 25.000 New mixer fraction: 0.0000200 Resulting temperature: 25.000Deg. C Solids and gases carried Charge balance check after fractionation or titration: TBAL = -.2181E-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 = 7 Loop limit = 400 Temperature = 25.00 C Pressure = 1.00 bar Mixer fraction = 0.0000200 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 = .2329721E-03 Osmotic coef. = 0.9886 True ionic strength = .7189841E-04 Chg. balance for total moles = -.2181E-19 Max. difference allowed = 0.5411E-09 Log Log Log Species(n) Molality Molality Activity Activity Gamma Gamma 1 H+ 0.50018E-04 -4.3009 0.48653E-04 -4.3129 0.97273E+00 -0.0120 2 H2O 0.10000E+01 0.0000 0.10000E+01 0.0000 3 Cl- 0.54111E-05 -5.2667 0.52634E-05 -5.2787 0.97269E+00 -0.0120 4 SO4-- 0.21781E-04 -4.6619 0.20572E-04 -4.6867 0.94450E+00 -0.0248 5 HCO3- 0.61658E-06 -6.2100 0.59974E-06 -6.2220 0.97269E+00 -0.0120 6 HS- 0.11848-139 -139.9264 0.11524-139 -139.9384 0.97269E+00 -0.0120 7 Na+ 0.99998E-07 -7.0000 0.97267E-07 -7.0120 0.97269E+00 -0.0120 8 F- 0.42977E-06 -6.3668 0.41803E-06 -6.3788 0.97269E+00 -0.0120 9 NH4+ 0.78242-104 -104.1066 0.76106-104 -104.1186 0.97269E+00 -0.0120 10 CH4,aq 0.42985-147 -147.3667 0.42983-147 -147.3667 0.99995E+00 0.0000 15 CO,aq 0.40680E-50 -50.3906 0.40680E-50 -50.3906 0.10000E+01 0.0000 16 CO2,aq 0.64581E-04 -4.1899 0.64577E-04 -4.1899 0.99995E+00 0.0000 17 CO3-2 0.61187E-12 -12.2133 0.57790E-12 -12.2381 0.94449E+00 -0.0248 18 HCN,aq 0.28099-164 -164.5513 0.28099-164 -164.5513 0.10000E+01 0.0000 19 CN- 0.34483-169 -169.4624 0.33541-169 -169.4744 0.97269E+00 -0.0120 20 OCN- 0.25486-122 -122.5937 0.24790-122 -122.6057 0.97269E+00 -0.0120 22 HCl,aq 0.49932E-10 -10.3016 0.49932E-10 -10.3016 0.10000E+01 0.0000 23 HClO,aq 0.10282E-18 -18.9879 0.10282E-18 -18.9879 0.10000E+01 0.0000 24 ClO- 0.61233E-22 -22.2130 0.59561E-22 -22.2250 0.97269E+00 -0.0120 25 HClO2,aq 0.38973E-34 -34.4092 0.38973E-34 -34.4092 0.10000E+01 0.0000 26 HF,aq 0.29945E-07 -7.5237 0.29945E-07 -7.5237 0.10000E+01 0.0000 27 HF2- 0.31085E-14 -14.5075 0.30236E-14 -14.5195 0.97269E+00 -0.0120 28 H2,aq 0.54743E-44 -44.2617 0.54740E-44 -44.2617 0.99995E+00 0.0000 29 NH3,aq 0.89811-109 -109.0467 0.89806-109 -109.0467 0.99995E+00 0.0000 30 HNO2,aq 0.32389E-64 -64.4896 0.32389E-64 -64.4896 0.10000E+01 0.0000 31 NO2- 0.40767E-63 -63.3897 0.39653E-63 -63.4017 0.97269E+00 -0.0120 32 HNO3,aq 0.23610E-55 -55.6269 0.23610E-55 -55.6269 0.10000E+01 0.0000 33 NO3- 0.99998E-50 -50.0000 0.97269E-50 -50.0120 0.97271E+00 -0.0120 34 N2,aq 0.68191-107 -107.1663 0.68187-107 -107.1663 0.99995E+00 0.0000 35 N2O2-2 0.24377-161 -161.6130 0.23023-161 -161.6378 0.94449E+00 -0.0248 36 HN2O2- 0.11384-154 -154.9437 0.11073-154 -154.9557 0.97269E+00 -0.0120 37 H2N2O2,aq 0.58667-152 -152.2316 0.58667-152 -152.2316 0.10000E+01 0.0000 40 NaCl,aq 0.85552E-13 -13.0678 0.85552E-13 -13.0678 0.10000E+01 0.0000 41 NaF,aq 0.40848E-14 -14.3888 0.40848E-14 -14.3888 0.10000E+01 0.0000 42 NaOH,aq 0.12470E-16 -16.9041 0.12470E-16 -16.9041 0.10000E+01 0.0000 43 O2,aq 0.20484E-03 -3.6886 0.20483E-03 -3.6886 0.99995E+00 0.0000 44 OH- 0.21375E-09 -9.6701 0.20792E-09 -9.6821 0.97269E+00 -0.0120 45 HO2- 0.14846E-25 -25.8284 0.14441E-25 -25.8404 0.97269E+00 -0.0120 46 H2O2,aq 0.33939E-18 -18.4693 0.33939E-18 -18.4693 0.10000E+01 0.0000 47 H2S,aq 0.54543-137 -137.2633 0.54540-137 -137.2633 0.99995E+00 0.0000 53 SO2,aq 0.93930E-49 -49.0272 0.93930E-49 -49.0272 0.10000E+01 0.0000 54 SO3-2 0.36171E-49 -49.4416 0.34165E-49 -49.4664 0.94454E+00 -0.0248 55 HSO3- 0.27398E-46 -46.5623 0.26650E-46 -46.5743 0.97269E+00 -0.0120 56 HSO4- 0.98041E-07 -7.0086 0.95365E-07 -7.0206 0.97270E+00 -0.0120 57 HSO5- 0.76052E-28 -28.1189 0.73975E-28 -28.1309 0.97269E+00 -0.0120 58 S2O3-2 0.73248-144 -144.1352 0.69182-144 -144.1600 0.94449E+00 -0.0248 59 HS2O3- 0.16755-146 -146.7759 0.16297-146 -146.7879 0.97269E+00 -0.0120 60 H2S2O3,aq 0.30635-150 -150.5138 0.30635-150 -150.5138 0.10000E+01 0.0000 61 S2O4-2 0.12662-130 -130.8975 0.11959-130 -130.9223 0.94449E+00 -0.0248 62 HS2O4- 0.18613-132 -132.7302 0.18105-132 -132.7422 0.97269E+00 -0.0120 63 H2S2O4,aq 0.20460-136 -136.6891 0.20460-136 -136.6891 0.10000E+01 0.0000 64 S2O5-2 0.11460E-97 -97.9408 0.10824E-97 -97.9656 0.94449E+00 -0.0248 65 S2O6-2 0.28176E-67 -67.5501 0.26612E-67 -67.5749 0.94449E+00 -0.0248 66 S2O8-2 0.48004E-42 -42.3187 0.45339E-42 -42.3435 0.94449E+00 -0.0248 67 S3O6-2 0.96894-170 -170.0137 0.91516-170 -170.0385 0.94449E+00 -0.0248 Charge balance for all species = -.1803E-19 Total fraction of mixing solution added: 0.0000200 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 0.1046E-66 1.0000 0.3083E-01 0.3083E-01 CO2,gas 0.6422E-68 1.0000 0.1893E-02 0.1893E-02 CH4,gas 0.1205-209 1.0000 0.3551-144 0.3551-144 H2,gas 0.2371-106 1.4792 0.6987E-41 0.4724E-41 H2S,gas 0.2347-123 0.1352 0.4464-136 0.3301-135 S2,gas 0.5413-281 1.0000 0.1595-215 0.1595-215 CO,gas 0.1403-112 1.0000 0.4134E-47 0.4134E-47 NO2,gas 0.6030-127 1.0000 0.1777E-61 0.1777E-61 SO3,gas 0.2203-102 1.0000 0.6494E-37 0.6494E-37 O2,gas 0.1000E+01 1.0000 0.2947E+66 0.2947E+66 NH3,gas 0.4863-176 1.0000 0.1433-110 0.1433-110 N2,gas 0.3559-169 1.0000 0.1049-103 0.1049-103 SO2,gas 0.2155-114 1.0000 0.6350E-49 0.6350E-49 HF,gas 0.5345E-77 1.0000 0.1575E-11 0.1575E-11 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 -10.53 -2.72 -0.908 0.37148E+04 -2.723 3 CH4,gas 2.98 -141.47 -144.45 -36.112 0.19707E+06 -144.450 4 H2,gas 8.42 -32.73 -41.16 -23.518 0.56148E+05 -41.156 5 H2S,gas -7.90 -144.25 -136.35 -68.175 0.18602E+06 -136.350 6 S2,gas -7.24 -223.03 -215.80 -33.200 0.29441E+06 -215.797 7 CO,gas 4.11 -43.27 -47.38 -14.580 0.64645E+05 -47.384 8 NO2,gas 76.52 14.77 -61.75 -14.114 0.84245E+05 -61.750 9 SO3,gas 23.88 -13.31 -37.19 -9.297 0.50734E+05 -37.187 10 O2,gas 66.26 65.47 -0.79 -0.526 0.10759E+04 -0.789 11 NH3,gas 11.04 -99.81 -110.84 -55.422 0.15122E+06 -110.844 12 N2,gas 2.57 -101.41 -103.98 -13.417 0.14186E+06 -103.979 13 SO2,gas 3.15 -46.05 -49.20 -13.119 0.67119E+05 -49.197 14 HF,gas 1.11 -10.69 -11.80 -5.901 0.16102E+05 -11.803 15 HCl,gas 6.31 -9.59 -15.90 -7.949 0.21689E+05 -15.898 Calculations done for 25.0000 Deg. C; 1.0000 bar Mixer fraction: 0.0000200 Fract. of mixing solution added: 0.000010 BITMOL = 0.3909E-03 OLDMOL = 0.5551E+02 New heat: 0.000 New temperature: 25.000 New mixer fraction: 0.0000300 Resulting temperature: 25.000Deg. C Solids and gases carried Charge balance check after fractionation or titration: TBAL = -.3949E-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 = 6 Loop limit = 400 Temperature = 25.00 C Pressure = 1.00 bar Mixer fraction = 0.0000300 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 = .2593575E-03 Osmotic coef. = 0.9880 True ionic strength = .1072913E-03 Chg. balance for total moles = -.3949E-19 Max. difference allowed = 0.8067E-09 Log Log Log Species(n) Molality Molality Activity Activity Gamma Gamma 1 H+ 0.74590E-04 -4.1273 0.72401E-04 -4.1403 0.97066E+00 -0.0129 2 H2O 0.10000E+01 0.0000 0.10000E+01 0.0000 3 Cl- 0.80666E-05 -5.0933 0.78295E-05 -5.1063 0.97060E+00 -0.0130 4 SO4-- 0.32601E-04 -4.4868 0.30529E-04 -4.5153 0.93645E+00 -0.0285 5 HCO3- 0.62444E-06 -6.2045 0.60609E-06 -6.2175 0.97061E+00 -0.0130 6 HS- 0.31375-139 -139.5034 0.30453-139 -139.5164 0.97060E+00 -0.0130 7 Na+ 0.99998E-07 -7.0000 0.97058E-07 -7.0130 0.97060E+00 -0.0130 8 F- 0.57960E-06 -6.2369 0.56255E-06 -6.2498 0.97060E+00 -0.0130 9 NH4+ 0.20733-103 -103.6833 0.20123-103 -103.6963 0.97061E+00 -0.0130 10 CH4,aq 0.77352-147 -147.1115 0.77347-147 -147.1116 0.99994E+00 0.0000 15 CO,aq 0.63985E-50 -50.1939 0.63985E-50 -50.1939 0.10000E+01 0.0000 16 CO2,aq 0.97121E-04 -4.0127 0.97115E-04 -4.0127 0.99994E+00 0.0000 17 CO3-2 0.41910E-12 -12.3777 0.39246E-12 -12.4062 0.93644E+00 -0.0285 18 HCN,aq 0.78528-164 -164.1050 0.78528-164 -164.1050 0.10000E+01 0.0000 19 CN- 0.64899-169 -169.1878 0.62991-169 -169.2007 0.97060E+00 -0.0130 20 OCN- 0.45862-122 -122.3386 0.44513-122 -122.3515 0.97060E+00 -0.0130 22 HCl,aq 0.11053E-09 -9.9565 0.11053E-09 -9.9565 0.10000E+01 0.0000 23 HClO,aq 0.21762E-18 -18.6623 0.21762E-18 -18.6623 0.10000E+01 0.0000 24 ClO- 0.87277E-22 -22.0591 0.84712E-22 -22.0721 0.97060E+00 -0.0130 25 HClO2,aq 0.78868E-34 -34.1031 0.78868E-34 -34.1031 0.10000E+01 0.0000 26 HF,aq 0.59967E-07 -7.2221 0.59967E-07 -7.2221 0.10000E+01 0.0000 27 HF2- 0.83953E-14 -14.0760 0.81485E-14 -14.0889 0.97060E+00 -0.0130 28 H2,aq 0.57255E-44 -44.2422 0.57252E-44 -44.2422 0.99994E+00 0.0000 29 NH3,aq 0.15958-108 -108.7970 0.15957-108 -108.7970 0.99994E+00 0.0000 30 HNO2,aq 0.50301E-64 -64.2984 0.50301E-64 -64.2984 0.10000E+01 0.0000 31 NO2- 0.42638E-63 -63.3702 0.41384E-63 -63.3832 0.97060E+00 -0.0130 32 HNO3,aq 0.35058E-55 -55.4552 0.35058E-55 -55.4552 0.10000E+01 0.0000 33 NO3- 0.99997E-50 -50.0000 0.97061E-50 -50.0130 0.97063E+00 -0.0129 34 N2,aq 0.18817-106 -106.7254 0.18816-106 -106.7255 0.99994E+00 0.0000 35 N2O2-2 0.29293-161 -161.5332 0.27431-161 -161.5618 0.93644E+00 -0.0285 36 HN2O2- 0.20228-154 -154.6940 0.19633-154 -154.7070 0.97060E+00 -0.0130 37 H2N2O2,aq 0.15479-151 -151.8103 0.15479-151 -151.8103 0.10000E+01 0.0000 40 NaCl,aq 0.12699E-12 -12.8962 0.12699E-12 -12.8962 0.10000E+01 0.0000 41 NaF,aq 0.54852E-14 -14.2608 0.54852E-14 -14.2608 0.10000E+01 0.0000 42 NaOH,aq 0.83615E-17 -17.0777 0.83615E-17 -17.0777 0.10000E+01 0.0000 43 O2,aq 0.18726E-03 -3.7276 0.18725E-03 -3.7276 0.99994E+00 0.0000 44 OH- 0.14395E-09 -9.8418 0.13972E-09 -9.8547 0.97060E+00 -0.0130 45 HO2- 0.95592E-26 -26.0196 0.92782E-26 -26.0325 0.97060E+00 -0.0130 46 H2O2,aq 0.32450E-18 -18.4888 0.32450E-18 -18.4888 0.10000E+01 0.0000 47 H2S,aq 0.21449-136 -136.6686 0.21447-136 -136.6686 0.99994E+00 0.0000 53 SO2,aq 0.32285E-48 -48.4910 0.32285E-48 -48.4910 0.10000E+01 0.0000 54 SO3-2 0.56623E-49 -49.2470 0.53028E-49 -49.2755 0.93651E+00 -0.0285 55 HSO3- 0.63418E-46 -46.1978 0.61554E-46 -46.2107 0.97060E+00 -0.0130 56 HSO4- 0.21698E-06 -6.6636 0.21060E-06 -6.6765 0.97062E+00 -0.0130 57 HSO5- 0.16093E-27 -27.7934 0.15620E-27 -27.8063 0.97060E+00 -0.0130 58 S2O3-2 0.43113-143 -143.3654 0.40373-143 -143.3939 0.93644E+00 -0.0285 59 HS2O3- 0.14581-145 -145.8362 0.14153-145 -145.8492 0.97060E+00 -0.0130 60 H2S2O3,aq 0.39590-149 -149.4024 0.39590-149 -149.4024 0.10000E+01 0.0000 61 S2O4-2 0.71256-130 -130.1472 0.66726-130 -130.1757 0.93644E+00 -0.0285 62 HS2O4- 0.15488-131 -131.8100 0.15033-131 -131.8230 0.97060E+00 -0.0130 63 H2S2O4,aq 0.25281-135 -135.5972 0.25281-135 -135.5972 0.10000E+01 0.0000 64 S2O5-2 0.61664E-97 -97.2100 0.57744E-97 -97.2385 0.93644E+00 -0.0285 65 S2O6-2 0.14496E-66 -66.8388 0.13574E-66 -66.8673 0.93644E+00 -0.0285 66 S2O8-2 0.22577E-41 -41.6463 0.21141E-41 -41.6749 0.93644E+00 -0.0285 67 S3O6-2 0.18742-168 -168.7272 0.17551-168 -168.7557 0.93644E+00 -0.0285 Charge balance for all species = -.1873E-18 Total fraction of mixing solution added: 0.0000300 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 0.1144E-66 1.0000 0.3083E-01 0.3083E-01 CO2,gas 0.1056E-67 1.0000 0.2846E-02 0.2846E-02 CH4,gas 0.2372-209 1.0000 0.6389-144 0.6389-144 H2,gas 0.2713-106 1.4792 0.7308E-41 0.4941E-41 H2S,gas 0.2808-123 0.1352 0.1755-135 0.1298-134 S2,gas 0.8370-280 1.0000 0.2255-214 0.2255-214 CO,gas 0.2414-112 1.0000 0.6502E-47 0.6502E-47 NO2,gas 0.1002-126 1.0000 0.2699E-61 0.2699E-61 SO3,gas 0.7921-102 1.0000 0.2134E-36 0.2134E-36 O2,gas 0.1000E+01 1.0000 0.2694E+66 0.2694E+66 NH3,gas 0.9452-176 1.0000 0.2547-110 0.2547-110 N2,gas 0.1074-168 1.0000 0.2894-103 0.2894-103 SO2,gas 0.8102-114 1.0000 0.2183E-48 0.2183E-48 HF,gas 0.1171E-76 1.0000 0.3154E-11 0.3154E-11 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 -10.36 -2.55 -0.849 0.34731E+04 -2.546 3 CH4,gas 2.98 -141.22 -144.19 -36.049 0.19672E+06 -144.195 4 H2,gas 8.42 -32.72 -41.14 -23.506 0.56122E+05 -41.136 5 H2S,gas -7.90 -143.66 -135.76 -67.878 0.18521E+06 -135.756 6 S2,gas -7.24 -221.88 -214.65 -33.023 0.29284E+06 -214.647 7 CO,gas 4.11 -43.07 -47.19 -14.519 0.64376E+05 -47.187 8 NO2,gas 76.52 14.95 -61.57 -14.073 0.83997E+05 -61.569 9 SO3,gas 23.88 -12.80 -36.67 -9.168 0.50029E+05 -36.671 10 O2,gas 66.26 65.43 -0.83 -0.552 0.11291E+04 -0.828 11 NH3,gas 11.04 -99.56 -110.59 -55.297 0.15088E+06 -110.594 12 N2,gas 2.57 -100.97 -103.54 -13.360 0.14126E+06 -103.538 13 SO2,gas 3.15 -45.51 -48.66 -12.976 0.66387E+05 -48.661 14 HF,gas 1.11 -10.39 -11.50 -5.751 0.15691E+05 -11.501 15 HCl,gas 6.31 -9.25 -15.55 -7.776 0.21218E+05 -15.553 Calculations done for 25.0000 Deg. C; 1.0000 bar Mixer fraction: 0.0000300 Fract. of mixing solution added: 0.000010 BITMOL = 0.3909E-03 OLDMOL = 0.5551E+02 New heat: 0.000 New temperature: 25.000 New mixer fraction: 0.0000400 Resulting temperature: 25.000Deg. C Solids and gases carried Charge balance check after fractionation or titration: TBAL = -.5717E-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 = 6 Loop limit = 400 Temperature = 25.00 C Pressure = 1.00 bar Mixer fraction = 0.0000400 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 = .2857426E-03 Osmotic coef. = 0.9874 True ionic strength = .1425824E-03 Chg. balance for total moles = -.5717E-19 Max. difference allowed = 0.1072E-08 Log Log Log Species(n) Molality Molality Activity Activity Gamma Gamma 1 H+ 0.99106E-04 -4.0039 0.96026E-04 -4.0176 0.96893E+00 -0.0137 2 H2O 0.10000E+01 0.0000 0.10000E+01 0.0000 3 Cl- 0.10722E-04 -4.9697 0.10388E-04 -4.9835 0.96886E+00 -0.0137 4 SO4-- 0.43376E-04 -4.3627 0.40329E-04 -4.3944 0.92976E+00 -0.0316 5 HCO3- 0.62970E-06 -6.2009 0.61009E-06 -6.2146 0.96886E+00 -0.0137 6 HS- 0.67073-139 -139.1735 0.64984-139 -139.1872 0.96886E+00 -0.0137 7 Na+ 0.99997E-07 -7.0000 0.96882E-07 -7.0138 0.96885E+00 -0.0137 8 F- 0.72069E-06 -6.1422 0.69824E-06 -6.1560 0.96885E+00 -0.0137 9 NH4+ 0.44419-103 -103.3524 0.43036-103 -103.3662 0.96886E+00 -0.0137 10 CH4,aq 0.12578-146 -146.9004 0.12577-146 -146.9004 0.99993E+00 0.0000 15 CO,aq 0.89740E-50 -50.0470 0.89740E-50 -50.0470 0.10000E+01 0.0000 16 CO2,aq 0.12966E-03 -3.8872 0.12965E-03 -3.8872 0.99993E+00 0.0000 17 CO3-2 0.32036E-12 -12.4944 0.29785E-12 -12.5260 0.92974E+00 -0.0316 18 HCN,aq 0.17759-163 -163.7506 0.17759-163 -163.7506 0.10000E+01 0.0000 19 CN- 0.11086-168 -168.9552 0.10741-168 -168.9690 0.96886E+00 -0.0137 20 OCN- 0.74573-122 -122.1274 0.72250-122 -122.1412 0.96886E+00 -0.0137 22 HCl,aq 0.19450E-09 -9.7111 0.19450E-09 -9.7111 0.10000E+01 0.0000 23 HClO,aq 0.36453E-18 -18.4383 0.36453E-18 -18.4383 0.10000E+01 0.0000 24 ClO- 0.11043E-21 -21.9569 0.10699E-21 -21.9707 0.96886E+00 -0.0137 25 HClO2,aq 0.12576E-33 -33.9005 0.12576E-33 -33.9005 0.10000E+01 0.0000 26 HF,aq 0.98718E-07 -7.0056 0.98718E-07 -7.0056 0.10000E+01 0.0000 27 HF2- 0.17185E-13 -13.7649 0.16650E-13 -13.7786 0.96886E+00 -0.0137 28 H2,aq 0.60149E-44 -44.2208 0.60145E-44 -44.2208 0.99993E+00 0.0000 29 NH3,aq 0.25732-108 -108.5895 0.25730-108 -108.5896 0.99993E+00 0.0000 30 HNO2,aq 0.69960E-64 -64.1551 0.69960E-64 -64.1551 0.10000E+01 0.0000 31 NO2- 0.44792E-63 -63.3488 0.43397E-63 -63.3625 0.96886E+00 -0.0137 32 HNO3,aq 0.46414E-55 -55.3333 0.46414E-55 -55.3333 0.10000E+01 0.0000 33 NO3- 0.99996E-50 -50.0000 0.96886E-50 -50.0137 0.96889E+00 -0.0137 34 N2,aq 0.42201-106 -106.3747 0.42198-106 -106.3747 0.99993E+00 0.0000 35 N2O2-2 0.35806-161 -161.4460 0.33290-161 -161.4777 0.92974E+00 -0.0316 36 HN2O2- 0.32617-154 -154.4866 0.31601-154 -154.5003 0.96886E+00 -0.0137 37 H2N2O2,aq 0.33044-151 -151.4809 0.33044-151 -151.4809 0.10000E+01 0.0000 40 NaCl,aq 0.16818E-12 -12.7742 0.16818E-12 -12.7742 0.10000E+01 0.0000 41 NaF,aq 0.67960E-14 -14.1677 0.67960E-14 -14.1677 0.10000E+01 0.0000 42 NaOH,aq 0.62929E-17 -17.2011 0.62929E-17 -17.2011 0.10000E+01 0.0000 43 O2,aq 0.16968E-03 -3.7704 0.16967E-03 -3.7704 0.99993E+00 0.0000 44 OH- 0.10873E-09 -9.9636 0.10534E-09 -9.9774 0.96885E+00 -0.0137 45 HO2- 0.68731E-26 -26.1628 0.66590E-26 -26.1766 0.96886E+00 -0.0137 46 H2O2,aq 0.30889E-18 -18.5102 0.30889E-18 -18.5102 0.10000E+01 0.0000 47 H2S,aq 0.60705-136 -136.2168 0.60701-136 -136.2168 0.99993E+00 0.0000 53 SO2,aq 0.78814E-48 -48.1034 0.78814E-48 -48.1034 0.10000E+01 0.0000 54 SO3-2 0.79143E-49 -49.1016 0.73590E-49 -49.1332 0.92984E+00 -0.0316 55 HSO3- 0.11694E-45 -45.9320 0.11330E-45 -45.9458 0.96886E+00 -0.0137 56 HSO4- 0.38084E-06 -6.4193 0.36899E-06 -6.4330 0.96887E+00 -0.0137 57 HSO5- 0.26888E-27 -27.5704 0.26050E-27 -27.5842 0.96886E+00 -0.0137 58 S2O3-2 0.16235-142 -142.7895 0.15095-142 -142.8212 0.92974E+00 -0.0316 59 HS2O3- 0.72436-145 -145.1400 0.70180-145 -145.1538 0.96886E+00 -0.0137 60 H2S2O3,aq 0.26038-148 -148.5844 0.26038-148 -148.5844 0.10000E+01 0.0000 61 S2O4-2 0.25542-129 -129.5927 0.23748-129 -129.6244 0.92974E+00 -0.0316 62 HS2O4- 0.73241-131 -131.1352 0.70960-131 -131.1490 0.96886E+00 -0.0137 63 H2S2O4,aq 0.15827-134 -134.8006 0.15827-134 -134.8006 0.10000E+01 0.0000 64 S2O5-2 0.21041E-96 -96.6769 0.19562E-96 -96.7086 0.92974E+00 -0.0316 65 S2O6-2 0.47083E-66 -66.3271 0.43775E-66 -66.3588 0.92974E+00 -0.0316 66 S2O8-2 0.66446E-41 -41.1775 0.61777E-41 -41.2092 0.92974E+00 -0.0316 67 S3O6-2 0.16401-167 -167.7851 0.15248-167 -167.8168 0.92974E+00 -0.0316 Charge balance for all species = -.1464E-18 Total fraction of mixing solution added: 0.0000400 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 0.1263E-66 1.0000 0.3083E-01 0.3083E-01 CO2,gas 0.1557E-67 1.0000 0.3800E-02 0.3800E-02 CH4,gas 0.4256-209 1.0000 0.1039-143 0.1039-143 H2,gas 0.3145-106 1.4792 0.7677E-41 0.5190E-41 H2S,gas 0.3420-123 0.1352 0.4968-135 0.3674-134 S2,gas 0.6705-279 1.0000 0.1637-213 0.1637-213 CO,gas 0.3736-112 1.0000 0.9120E-47 0.9120E-47 NO2,gas 0.1500-126 1.0000 0.3662E-61 0.3662E-61 SO3,gas 0.2031-101 1.0000 0.4959E-36 0.4959E-36 O2,gas 0.1000E+01 1.0000 0.2441E+66 0.2441E+66 NH3,gas 0.1682-175 1.0000 0.4106-110 0.4106-110 N2,gas 0.2659-168 1.0000 0.6491-103 0.6491-103 SO2,gas 0.2183-113 1.0000 0.5328E-48 0.5328E-48 HF,gas 0.2127E-76 1.0000 0.5193E-11 0.5193E-11 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 -10.23 -2.42 -0.807 0.33019E+04 -2.420 3 CH4,gas 2.98 -141.01 -143.98 -35.996 0.19643E+06 -143.983 4 H2,gas 8.42 -32.69 -41.11 -23.494 0.56092E+05 -41.115 5 H2S,gas -7.90 -143.20 -135.30 -67.652 0.18459E+06 -135.304 6 S2,gas -7.24 -221.02 -213.79 -32.890 0.29167E+06 -213.786 7 CO,gas 4.11 -42.93 -47.04 -14.474 0.64176E+05 -47.040 8 NO2,gas 76.52 15.08 -61.44 -14.043 0.83817E+05 -61.436 9 SO3,gas 23.88 -12.43 -36.30 -9.076 0.49530E+05 -36.305 10 O2,gas 66.26 65.39 -0.87 -0.580 0.11875E+04 -0.870 11 NH3,gas 11.04 -99.35 -110.39 -55.193 0.15060E+06 -110.387 12 N2,gas 2.57 -100.62 -103.19 -13.315 0.14078E+06 -103.188 13 SO2,gas 3.15 -45.12 -48.27 -12.873 0.65859E+05 -48.273 14 HF,gas 1.11 -10.17 -11.28 -5.642 0.15395E+05 -11.285 15 HCl,gas 6.31 -9.00 -15.31 -7.654 0.20883E+05 -15.307 Calculations done for 25.0000 Deg. C; 1.0000 bar Mixer fraction: 0.0000400 Fract. of mixing solution added: 0.000010 BITMOL = 0.3909E-03 OLDMOL = 0.5551E+02 New heat: 0.000 New temperature: 25.000 New mixer fraction: 0.0000500 Resulting temperature: 25.000Deg. C Solids and gases carried Charge balance check after fractionation or titration: TBAL = -.1292E-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 = 0.0000500 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 = .3121274E-03 Osmotic coef. = 0.9869 True ionic strength = .1777761E-03 Chg. balance for total moles = -.1292E-18 Max. difference allowed = 0.1338E-08 Log Log Log Species(n) Molality Molality Activity Activity Gamma Gamma 1 H+ 0.12357E-03 -3.9081 0.11954E-03 -3.9225 0.96741E+00 -0.0144 2 H2O 0.10000E+01 0.0000 0.10000E+01 0.0000 3 Cl- 0.13377E-04 -4.8736 0.12940E-04 -4.8881 0.96733E+00 -0.0144 4 SO4-- 0.54107E-04 -4.2667 0.49992E-04 -4.3011 0.92394E+00 -0.0344 5 HCO3- 0.63377E-06 -6.1981 0.61307E-06 -6.2125 0.96734E+00 -0.0144 6 HS- 0.12902-138 -138.8894 0.12480-138 -138.9038 0.96733E+00 -0.0144 7 Na+ 0.99996E-07 -7.0000 0.96728E-07 -7.0144 0.96732E+00 -0.0144 8 F- 0.85388E-06 -6.0686 0.82598E-06 -6.0830 0.96732E+00 -0.0144 9 NH4+ 0.85671-103 -103.0672 0.82873-103 -103.0816 0.96734E+00 -0.0144 10 CH4,aq 0.19582-146 -146.7081 0.19581-146 -146.7082 0.99993E+00 0.0000 15 CO,aq 0.11857E-49 -49.9260 0.11857E-49 -49.9260 0.10000E+01 0.0000 16 CO2,aq 0.16221E-03 -3.7899 0.16219E-03 -3.7900 0.99993E+00 0.0000 17 CO3-2 0.26023E-12 -12.5846 0.24043E-12 -12.6190 0.92392E+00 -0.0344 18 HCN,aq 0.36297-163 -163.4401 0.36297-163 -163.4401 0.10000E+01 0.0000 19 CN- 0.18230-168 -168.7392 0.17634-168 -168.7536 0.96733E+00 -0.0144 20 OCN- 0.11610-121 -121.9352 0.11231-121 -121.9496 0.96733E+00 -0.0144 22 HCl,aq 0.30162E-09 -9.5205 0.30162E-09 -9.5205 0.10000E+01 0.0000 23 HClO,aq 0.53520E-18 -18.2715 0.53520E-18 -18.2715 0.10000E+01 0.0000 24 ClO- 0.13044E-21 -21.8846 0.12618E-21 -21.8990 0.96733E+00 -0.0144 25 HClO2,aq 0.17481E-33 -33.7574 0.17481E-33 -33.7574 0.10000E+01 0.0000 26 HF,aq 0.14537E-06 -6.8375 0.14537E-06 -6.8375 0.10000E+01 0.0000 27 HF2- 0.29984E-13 -13.5231 0.29004E-13 -13.5375 0.96733E+00 -0.0144 28 H2,aq 0.63530E-44 -44.1970 0.63525E-44 -44.1971 0.99993E+00 0.0000 29 NH3,aq 0.39804-108 -108.4001 0.39801-108 -108.4001 0.99993E+00 0.0000 30 HNO2,aq 0.91843E-64 -64.0370 0.91843E-64 -64.0370 0.10000E+01 0.0000 31 NO2- 0.47310E-63 -63.3250 0.45764E-63 -63.3395 0.96733E+00 -0.0144 32 HNO3,aq 0.57689E-55 -55.2389 0.57689E-55 -55.2389 0.10000E+01 0.0000 33 NO3- 0.99996E-50 -50.0000 0.96733E-50 -50.0144 0.96738E+00 -0.0144 34 N2,aq 0.85698-106 -106.0670 0.85692-106 -106.0671 0.99993E+00 0.0000 35 N2O2-2 0.44701-161 -161.3497 0.41300-161 -161.3841 0.92392E+00 -0.0344 36 HN2O2- 0.50454-154 -154.2971 0.48805-154 -154.3115 0.96733E+00 -0.0144 37 H2N2O2,aq 0.63531-151 -151.1970 0.63531-151 -151.1970 0.10000E+01 0.0000 40 NaCl,aq 0.20917E-12 -12.6795 0.20917E-12 -12.6795 0.10000E+01 0.0000 41 NaF,aq 0.80264E-14 -14.0955 0.80264E-14 -14.0955 0.10000E+01 0.0000 42 NaOH,aq 0.50470E-17 -17.2970 0.50470E-17 -17.2970 0.10000E+01 0.0000 43 O2,aq 0.15210E-03 -3.8179 0.15209E-03 -3.8179 0.99993E+00 0.0000 44 OH- 0.87480E-10 -10.0581 0.84621E-10 -10.0725 0.96732E+00 -0.0144 45 HO2- 0.52355E-26 -26.2810 0.50644E-26 -26.2955 0.96733E+00 -0.0144 46 H2O2,aq 0.29245E-18 -18.5340 0.29245E-18 -18.5340 0.10000E+01 0.0000 47 H2S,aq 0.14513-135 -135.8382 0.14512-135 -135.8383 0.99993E+00 0.0000 53 SO2,aq 0.15992E-47 -47.7961 0.15992E-47 -47.7961 0.10000E+01 0.0000 54 SO3-2 0.10427E-48 -48.9818 0.96349E-49 -49.0162 0.92404E+00 -0.0343 55 HSO3- 0.19090E-45 -45.7192 0.18466E-45 -45.7336 0.96733E+00 -0.0144 56 HSO4- 0.58862E-06 -6.2302 0.56940E-06 -6.2446 0.96735E+00 -0.0144 57 HSO5- 0.39346E-27 -27.4051 0.38060E-27 -27.4195 0.96733E+00 -0.0144 58 S2O3-2 0.48418-142 -142.3150 0.44734-142 -142.3494 0.92392E+00 -0.0344 59 HS2O3- 0.26766-144 -144.5724 0.25892-144 -144.5868 0.96733E+00 -0.0144 60 H2S2O3,aq 0.11959-147 -147.9223 0.11959-147 -147.9223 0.10000E+01 0.0000 61 S2O4-2 0.72120-129 -129.1419 0.66633-129 -129.1763 0.92392E+00 -0.0344 62 HS2O4- 0.25623-130 -130.5914 0.24786-130 -130.6058 0.96733E+00 -0.0144 63 H2S2O4,aq 0.68822-134 -134.1623 0.68822-134 -134.1623 0.10000E+01 0.0000 64 S2O5-2 0.56248E-96 -96.2499 0.51968E-96 -96.2843 0.92392E+00 -0.0344 65 S2O6-2 0.11917E-65 -65.9238 0.11010E-65 -65.9582 0.92392E+00 -0.0344 66 S2O8-2 0.15075E-40 -40.8217 0.13928E-40 -40.8561 0.92392E+00 -0.0344 67 S3O6-2 0.93960-167 -167.0271 0.86812-167 -167.0614 0.92392E+00 -0.0344 Charge balance for all species = -.1383E-18 Total fraction of mixing solution added: 0.0000500 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 0.1409E-66 1.0000 0.3083E-01 0.3083E-01 CO2,gas 0.2172E-67 1.0000 0.4754E-02 0.4754E-02 CH4,gas 0.7391-209 1.0000 0.1617-143 0.1617-143 H2,gas 0.3705-106 1.4792 0.8109E-41 0.5482E-41 H2S,gas 0.5428-200 0.1352 0.1188-134 0.8784-134 S2,gas 0.3832-278 1.0000 0.8386-213 0.8386-213 CO,gas 0.5507-112 1.0000 0.1205E-46 0.1205E-46 NO2,gas 0.2138-126 1.0000 0.4678E-61 0.4678E-61 SO3,gas 0.4354-101 1.0000 0.9527E-36 0.9527E-36 O2,gas 0.1000E+01 1.0000 0.2188E+66 0.2188E+66 NH3,gas 0.2903-175 1.0000 0.6352-110 0.6352-110 N2,gas 0.6023-168 1.0000 0.1318-102 0.1318-102 SO2,gas 0.4941-113 1.0000 0.1081E-47 0.1081E-47 HF,gas 0.3495E-76 1.0000 0.7647E-11 0.7647E-11 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 -10.13 -2.32 -0.774 0.31692E+04 -2.323 3 CH4,gas 2.98 -140.82 -143.79 -35.948 0.19617E+06 -143.791 4 H2,gas 8.42 -32.67 -41.09 -23.481 0.56060E+05 -41.091 5 H2S,gas -7.90 -142.83 -134.93 -67.463 0.18408E+06 -134.925 6 S2,gas -7.24 -220.31 -213.08 -32.781 0.29070E+06 -213.076 7 CO,gas 4.11 -42.81 -46.92 -14.437 0.64011E+05 -46.919 8 NO2,gas 76.52 15.19 -61.33 -14.018 0.83672E+05 -61.330 9 SO3,gas 23.88 -12.15 -36.02 -9.005 0.49143E+05 -36.021 10 O2,gas 66.26 65.34 -0.92 -0.612 0.12523E+04 -0.918 11 NH3,gas 11.04 -99.16 -110.20 -55.099 0.15034E+06 -110.197 12 N2,gas 2.57 -100.31 -102.88 -13.275 0.14036E+06 -102.880 13 SO2,gas 3.15 -44.82 -47.97 -12.791 0.65439E+05 -47.966 14 HF,gas 1.11 -10.01 -11.12 -5.558 0.15166E+05 -11.117 15 HCl,gas 6.31 -8.81 -15.12 -7.558 0.20623E+05 -15.117 Calculations done for 25.0000 Deg. C; 1.0000 bar Mixer fraction: 0.0000500 Fract. of mixing solution added: 0.000010 BITMOL = 0.3909E-03 OLDMOL = 0.5551E+02 New heat: 0.000 New temperature: 25.000 New mixer fraction: 0.0000600 Resulting temperature: 25.000Deg. C Solids and gases carried Charge balance check after fractionation or titration: TBAL = -.1470E-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 = 0.0000600 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 = .3385117E-03 Osmotic coef. = 0.9865 True ionic strength = .2128753E-03 Chg. balance for total moles = -.1470E-18 Max. difference allowed = 0.1603E-08 Log Log Log Species(n) Molality Molality Activity Activity Gamma Gamma 1 H+ 0.14798E-03 -3.8298 0.14296E-03 -3.8448 0.96606E+00 -0.0150 2 H2O 0.10000E+01 0.0000 0.10000E+01 0.0000 3 Cl- 0.16033E-04 -4.7950 0.15487E-04 -4.8100 0.96595E+00 -0.0150 4 SO4-- 0.64795E-04 -4.1885 0.59530E-04 -4.2253 0.91874E+00 -0.0368 5 HCO3- 0.63719E-06 -6.1957 0.61551E-06 -6.2108 0.96597E+00 -0.0150 6 HS- 0.23521-138 -138.6285 0.22721-138 -138.6436 0.96596E+00 -0.0150 7 Na+ 0.99995E-07 -7.0000 0.96590E-07 -7.0151 0.96595E+00 -0.0150 8 F- 0.97988E-06 -6.0088 0.94651E-06 -6.0239 0.96595E+00 -0.0150 9 NH4+ 0.15663-102 -102.8051 0.15130-102 -102.8202 0.96597E+00 -0.0150 10 CH4,aq 0.30057-146 -146.5221 0.30055-146 -146.5221 0.99992E+00 0.0000 15 CO,aq 0.15138E-49 -49.8199 0.15138E-49 -49.8199 0.10000E+01 0.0000 16 CO2,aq 0.19475E-03 -3.7105 0.19473E-03 -3.7106 0.99992E+00 0.0000 17 CO3-2 0.21971E-12 -12.6582 0.20185E-12 -12.6950 0.91872E+00 -0.0368 18 HCN,aq 0.70746-163 -163.1503 0.70746-163 -163.1503 0.10000E+01 0.0000 19 CN- 0.29754-168 -168.5265 0.28741-168 -168.5415 0.96595E+00 -0.0150 20 OCN- 0.17821-121 -121.7491 0.17214-121 -121.7641 0.96595E+00 -0.0150 22 HCl,aq 0.43169E-09 -9.3648 0.43169E-09 -9.3648 0.10000E+01 0.0000 23 HClO,aq 0.72036E-18 -18.1425 0.72036E-18 -18.1425 0.10000E+01 0.0000 24 ClO- 0.14702E-21 -21.8326 0.14202E-21 -21.8477 0.96595E+00 -0.0150 25 HClO2,aq 0.22127E-33 -33.6551 0.22127E-33 -33.6551 0.10000E+01 0.0000 26 HF,aq 0.19922E-06 -6.7007 0.19922E-06 -6.7007 0.10000E+01 0.0000 27 HF2- 0.47152E-13 -13.3265 0.45547E-13 -13.3415 0.96595E+00 -0.0150 28 H2,aq 0.67554E-44 -44.1703 0.67549E-44 -44.1704 0.99992E+00 0.0000 29 NH3,aq 0.60768-108 -108.2163 0.60763-108 -108.2164 0.99992E+00 0.0000 30 HNO2,aq 0.11662E-63 -63.9332 0.11662E-63 -63.9332 0.10000E+01 0.0000 31 NO2- 0.50306E-63 -63.2984 0.48594E-63 -63.3134 0.96595E+00 -0.0150 32 HNO3,aq 0.68891E-55 -55.1618 0.68891E-55 -55.1618 0.10000E+01 0.0000 33 NO3- 0.99995E-50 -50.0000 0.96596E-50 -50.0150 0.96601E+00 -0.0150 34 N2,aq 0.16614-105 -105.7795 0.16612-105 -105.7796 0.99992E+00 0.0000 35 N2O2-2 0.57308-161 -161.2418 0.52650-161 -161.2786 0.91872E+00 -0.0368 36 HN2O2- 0.77028-154 -154.1134 0.74405-154 -154.1284 0.96595E+00 -0.0150 37 H2N2O2,aq 0.11583-150 -150.9362 0.11583-150 -150.9362 0.10000E+01 0.0000 40 NaCl,aq 0.24998E-12 -12.6021 0.24998E-12 -12.6021 0.10000E+01 0.0000 41 NaF,aq 0.91846E-14 -14.0369 0.91846E-14 -14.0369 0.10000E+01 0.0000 42 NaOH,aq 0.42143E-17 -17.3753 0.42143E-17 -17.3753 0.10000E+01 0.0000 43 O2,aq 0.13452E-03 -3.8712 0.13451E-03 -3.8712 0.99992E+00 0.0000 44 OH- 0.73255E-10 -10.1352 0.70761E-10 -10.1502 0.96595E+00 -0.0150 45 HO2- 0.41230E-26 -26.3848 0.39827E-26 -26.3998 0.96595E+00 -0.0150 46 H2O2,aq 0.27503E-18 -18.5606 0.27503E-18 -18.5606 0.10000E+01 0.0000 47 H2S,aq 0.31598-135 -135.5003 0.31595-135 -135.5004 0.99992E+00 0.0000 53 SO2,aq 0.28958E-47 -47.5382 0.28958E-47 -47.5382 0.10000E+01 0.0000 54 SO3-2 0.13277E-48 -48.8769 0.12200E-48 -48.9136 0.91886E+00 -0.0367 55 HSO3- 0.28947E-45 -45.5384 0.27961E-45 -45.5534 0.96595E+00 -0.0150 56 HSO4- 0.83941E-06 -6.0760 0.81085E-06 -6.0911 0.96598E+00 -0.0150 57 HSO5- 0.52767E-27 -27.2776 0.50971E-27 -27.2927 0.96595E+00 -0.0150 58 S2O3-2 0.12623-141 -141.8988 0.11597-141 -141.9356 0.91872E+00 -0.0368 59 HS2O3- 0.83102-144 -144.0804 0.80272-144 -144.0954 0.96595E+00 -0.0150 60 H2S2O3,aq 0.44338-147 -147.3532 0.44338-147 -147.3532 0.10000E+01 0.0000 61 S2O4-2 0.17683-128 -128.7524 0.16246-128 -128.7893 0.91872E+00 -0.0368 62 HS2O4- 0.74815-130 -130.1260 0.72268-130 -130.1411 0.96595E+00 -0.0150 63 H2S2O4,aq 0.23997-133 -133.6198 0.23997-133 -133.6198 0.10000E+01 0.0000 64 S2O5-2 0.12970E-95 -95.8871 0.11916E-95 -95.9239 0.91872E+00 -0.0368 65 S2O6-2 0.25842E-65 -65.5877 0.23741E-65 -65.6245 0.91872E+00 -0.0368 66 S2O8-2 0.28912E-40 -40.5389 0.26562E-40 -40.5757 0.91872E+00 -0.0368 67 S3O6-2 0.41718-166 -166.3797 0.38327-166 -166.4165 0.91872E+00 -0.0368 Charge balance for all species = -.1593E-18 Total fraction of mixing solution added: 0.0000600 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 0.1593E-66 1.0000 0.3083E-01 0.3083E-01 CO2,gas 0.2949E-67 1.0000 0.5707E-02 0.5707E-02 CH4,gas 0.1283-208 1.0000 0.2483-143 0.2483-143 H2,gas 0.4455-106 1.4792 0.8622E-41 0.5829E-41 H2S,gas 0.5442-123 0.1352 0.2586-134 0.1912-133 S2,gas 0.1817-277 1.0000 0.3516-212 0.3516-212 CO,gas 0.7949-112 1.0000 0.1538E-46 0.1538E-46 NO2,gas 0.2977-126 1.0000 0.5761E-61 0.5761E-61 SO3,gas 0.8383-101 1.0000 0.1622E-35 0.1622E-35 O2,gas 0.1000E+01 1.0000 0.1935E+66 0.1935E+66 NH3,gas 0.5010-175 1.0000 0.9697-110 0.9697-110 N2,gas 0.1320-167 1.0000 0.2555-102 0.2555-102 SO2,gas 0.1012-112 1.0000 0.1958E-47 0.1958E-47 HF,gas 0.5415E-76 1.0000 0.1048E-10 0.1048E-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 -10.06 -2.24 -0.748 0.30609E+04 -2.244 3 CH4,gas 2.98 -140.63 -143.61 -35.901 0.19592E+06 -143.605 4 H2,gas 8.42 -32.64 -41.06 -23.465 0.56024E+05 -41.064 5 H2S,gas -7.90 -142.49 -134.59 -67.294 0.18362E+06 -134.587 6 S2,gas -7.24 -219.69 -212.45 -32.685 0.28985E+06 -212.454 7 CO,gas 4.11 -42.70 -46.81 -14.404 0.63866E+05 -46.813 8 NO2,gas 76.52 15.28 -61.24 -13.998 0.83548E+05 -61.240 9 SO3,gas 23.88 -11.91 -35.79 -8.947 0.48828E+05 -35.790 10 O2,gas 66.26 65.29 -0.97 -0.647 0.13250E+04 -0.971 11 NH3,gas 11.04 -98.98 -110.01 -55.007 0.15009E+06 -110.013 12 N2,gas 2.57 -100.02 -102.59 -13.238 0.13997E+06 -102.593 13 SO2,gas 3.15 -44.56 -47.71 -12.722 0.65088E+05 -47.708 14 HF,gas 1.11 -9.87 -10.98 -5.490 0.14979E+05 -10.980 15 HCl,gas 6.31 -8.65 -14.96 -7.480 0.20411E+05 -14.961 Calculations done for 25.0000 Deg. C; 1.0000 bar Mixer fraction: 0.0000600 Fract. of mixing solution added: 0.000010 BITMOL = 0.3909E-03 OLDMOL = 0.5551E+02 New heat: 0.000 New temperature: 25.000 New mixer fraction: 0.0000700 Resulting temperature: 25.000Deg. C Solids and gases carried Charge balance check after fractionation or titration: TBAL = -.1647E-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 = 0.0000700 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 = .3648957E-03 Osmotic coef. = 0.9860 True ionic strength = .2478827E-03 Chg. balance for total moles = -.1647E-18 Max. difference allowed = 0.1869E-08 Log Log Log Species(n) Molality Molality Activity Activity Gamma Gamma 1 H+ 0.17234E-03 -3.7636 0.16628E-03 -3.7792 0.96482E+00 -0.0156 2 H2O 0.10000E+01 0.0000 0.10000E+01 0.0000 3 Cl- 0.18688E-04 -4.7284 0.18028E-04 -4.7440 0.96470E+00 -0.0156 4 SO4-- 0.75441E-04 -4.1224 0.68953E-04 -4.1614 0.91400E+00 -0.0391 5 HCO3- 0.64019E-06 -6.1937 0.61760E-06 -6.2093 0.96471E+00 -0.0156 6 HS- 0.41987-138 -138.3769 0.40505-138 -138.3925 0.96470E+00 -0.0156 7 Na+ 0.99994E-07 -7.0000 0.96464E-07 -7.0156 0.96470E+00 -0.0156 8 F- 0.10993E-05 -5.9589 0.10605E-05 -5.9745 0.96469E+00 -0.0156 9 NH4+ 0.28040-102 -102.5522 0.27051-102 -102.5678 0.96472E+00 -0.0156 10 CH4,aq 0.46419-146 -146.3333 0.46415-146 -146.3333 0.99991E+00 0.0000 15 CO,aq 0.18949E-49 -49.7224 0.18949E-49 -49.7224 0.10000E+01 0.0000 16 CO2,aq 0.22729E-03 -3.6434 0.22727E-03 -3.6435 0.99991E+00 0.0000 17 CO3-2 0.19052E-12 -12.7201 0.17413E-12 -12.7591 0.91398E+00 -0.0391 18 HCN,aq 0.13612-162 -162.8661 0.13612-162 -162.8661 0.10000E+01 0.0000 19 CN- 0.49283-168 -168.3073 0.47543-168 -168.3229 0.96470E+00 -0.0156 20 OCN- 0.27521-121 -121.5603 0.26550-121 -121.5759 0.96470E+00 -0.0156 22 HCl,aq 0.58451E-09 -9.2332 0.58451E-09 -9.2332 0.10000E+01 0.0000 23 HClO,aq 0.90941E-18 -18.0412 0.90941E-18 -18.0412 0.10000E+01 0.0000 24 ClO- 0.15978E-21 -21.7965 0.15414E-21 -21.8121 0.96470E+00 -0.0156 25 HClO2,aq 0.26045E-33 -33.5843 0.26045E-33 -33.5843 0.10000E+01 0.0000 26 HF,aq 0.25962E-06 -6.5857 0.25962E-06 -6.5857 0.10000E+01 0.0000 27 HF2- 0.68939E-13 -13.1615 0.66505E-13 -13.1771 0.96470E+00 -0.0156 28 H2,aq 0.72454E-44 -44.1399 0.72448E-44 -44.1400 0.99991E+00 0.0000 29 NH3,aq 0.93408-108 -108.0296 0.93400-108 -108.0297 0.99991E+00 0.0000 30 HNO2,aq 0.14530E-63 -63.8377 0.14530E-63 -63.8377 0.10000E+01 0.0000 31 NO2- 0.53955E-63 -63.2680 0.52050E-63 -63.2836 0.96470E+00 -0.0156 32 HNO3,aq 0.80026E-55 -55.0968 0.80026E-55 -55.0968 0.10000E+01 0.0000 33 NO3- 0.99994E-50 -50.0000 0.96471E-50 -50.0156 0.96477E+00 -0.0156 34 N2,aq 0.31816-105 -105.4974 0.31814-105 -105.4974 0.99991E+00 0.0000 35 N2O2-2 0.76028-161 -161.1190 0.69488-161 -161.1581 0.91398E+00 -0.0391 36 HN2O2- 0.11840-153 -153.9266 0.11422-153 -153.9423 0.96470E+00 -0.0156 37 H2N2O2,aq 0.20681-150 -150.6844 0.20681-150 -150.6844 0.10000E+01 0.0000 40 NaCl,aq 0.29062E-12 -12.5367 0.29062E-12 -12.5367 0.10000E+01 0.0000 41 NaF,aq 0.10277E-13 -13.9881 0.10277E-13 -13.9881 0.10000E+01 0.0000 42 NaOH,aq 0.36185E-17 -17.4415 0.36185E-17 -17.4415 0.10000E+01 0.0000 43 O2,aq 0.11694E-03 -3.9320 0.11693E-03 -3.9321 0.99991E+00 0.0000 44 OH- 0.63063E-10 -10.2002 0.60836E-10 -10.2158 0.96469E+00 -0.0156 45 HO2- 0.33093E-26 -26.4803 0.31925E-26 -26.4959 0.96470E+00 -0.0156 46 H2O2,aq 0.25643E-18 -18.5910 0.25643E-18 -18.5910 0.10000E+01 0.0000 47 H2S,aq 0.65521-135 -135.1836 0.65516-135 -135.1837 0.99991E+00 0.0000 53 SO2,aq 0.48670E-47 -47.3127 0.48670E-47 -47.3127 0.10000E+01 0.0000 54 SO3-2 0.16579E-48 -48.7804 0.15156E-48 -48.8194 0.91415E+00 -0.0390 55 HSO3- 0.41882E-45 -45.3780 0.40404E-45 -45.3936 0.96470E+00 -0.0156 56 HSO4- 0.11324E-05 -5.9460 0.10924E-05 -5.9616 0.96473E+00 -0.0156 57 HSO5- 0.66370E-27 -27.1780 0.64027E-27 -27.1936 0.96470E+00 -0.0156 58 S2O3-2 0.30477-141 -141.5160 0.27855-141 -141.5551 0.91398E+00 -0.0391 59 HS2O3- 0.23246-143 -143.6337 0.22425-143 -143.6493 0.96470E+00 -0.0156 60 H2S2O3,aq 0.14407-146 -146.8414 0.14407-146 -146.8414 0.10000E+01 0.0000 61 S2O4-2 0.39805-128 -128.4001 0.36381-128 -128.4391 0.91398E+00 -0.0391 62 HS2O4- 0.19513-129 -129.7097 0.18824-129 -129.7253 0.96470E+00 -0.0156 63 H2S2O4,aq 0.72702-133 -133.1385 0.72702-133 -133.1385 0.10000E+01 0.0000 64 S2O5-2 0.27221E-95 -95.5651 0.24880E-95 -95.6042 0.91398E+00 -0.0391 65 S2O6-2 0.50568E-65 -65.2961 0.46218E-65 -65.3352 0.91398E+00 -0.0391 66 S2O8-2 0.49183E-40 -40.3082 0.44953E-40 -40.3472 0.91398E+00 -0.0391 67 S3O6-2 0.15783-165 -165.8018 0.14426-165 -165.8409 0.91398E+00 -0.0391 Charge balance for all species = -.1872E-18 Total fraction of mixing solution added: 0.0000700 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 0.1833E-66 1.0000 0.3083E-01 0.3083E-01 CO2,gas 0.3959E-67 1.0000 0.6661E-02 0.6661E-02 CH4,gas 0.2279-208 1.0000 0.3834-143 0.3834-143 H2,gas 0.5497-106 1.4792 0.9248E-41 0.6252E-41 H2S,gas 0.7201-123 0.1352 0.5362-134 0.3965-133 S2,gas 0.7811-277 1.0000 0.1314-211 0.1314-211 CO,gas 0.1145-111 1.0000 0.1926E-46 0.1926E-46 NO2,gas 0.4119-126 1.0000 0.6930E-61 0.6930E-61 SO3,gas 0.1511-100 1.0000 0.2542E-35 0.2542E-35 O2,gas 0.1000E+01 1.0000 0.1682E+66 0.1682E+66 NH3,gas 0.8859-175 1.0000 0.1491-109 0.1491-109 N2,gas 0.2909-167 1.0000 0.4893-102 0.4893-102 SO2,gas 0.1956-112 1.0000 0.3290E-47 0.3290E-47 HF,gas 0.8117E-76 1.0000 0.1366E-10 0.1366E-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 -9.99 -2.18 -0.725 0.29693E+04 -2.176 3 CH4,gas 2.98 -140.44 -143.42 -35.854 0.19566E+06 -143.416 4 H2,gas 8.42 -32.61 -41.03 -23.448 0.55982E+05 -41.034 5 H2S,gas -7.90 -142.17 -134.27 -67.135 0.18318E+06 -134.271 6 S2,gas -7.24 -219.12 -211.88 -32.597 0.28907E+06 -211.881 7 CO,gas 4.11 -42.60 -46.72 -14.374 0.63733E+05 -46.715 8 NO2,gas 76.52 15.36 -61.16 -13.979 0.83439E+05 -61.159 9 SO3,gas 23.88 -11.72 -35.59 -8.899 0.48561E+05 -35.595 10 O2,gas 66.26 65.23 -1.03 -0.688 0.14080E+04 -1.032 11 NH3,gas 11.04 -98.79 -109.83 -54.913 0.14983E+06 -109.827 12 N2,gas 2.57 -99.74 -102.31 -13.201 0.13958E+06 -102.310 13 SO2,gas 3.15 -44.33 -47.48 -12.662 0.64780E+05 -47.483 14 HF,gas 1.11 -9.75 -10.86 -5.432 0.14822E+05 -10.865 15 HCl,gas 6.31 -8.52 -14.83 -7.415 0.20231E+05 -14.829 Calculations done for 25.0000 Deg. C; 1.0000 bar Mixer fraction: 0.0000700 Fract. of mixing solution added: 0.000010 BITMOL = 0.3909E-03 OLDMOL = 0.5551E+02 New heat: 0.000 New temperature: 25.000 New mixer fraction: 0.0000800 Resulting temperature: 25.000Deg. C Solids and gases carried Charge balance check after fractionation or titration: TBAL = -.1825E-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 = 0.0000800 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 = .3912793E-03 Osmotic coef. = 0.9856 True ionic strength = .2828004E-03 Chg. balance for total moles = -.1825E-18 Max. difference allowed = 0.2135E-08 Log Log Log Species(n) Molality Molality Activity Activity Gamma Gamma 1 H+ 0.19666E-03 -3.7063 0.18951E-03 -3.7224 0.96367E+00 -0.0161 2 H2O 0.10000E+01 0.0000 0.10000E+01 0.0000 3 Cl- 0.21343E-04 -4.6707 0.20565E-04 -4.6869 0.96354E+00 -0.0161 4 SO4-- 0.86045E-04 -4.0653 0.78270E-04 -4.1064 0.90964E+00 -0.0411 5 HCO3- 0.64290E-06 -6.1919 0.61947E-06 -6.2080 0.96355E+00 -0.0161 6 HS- 0.75330-138 -138.1230 0.72584-138 -138.1392 0.96354E+00 -0.0161 7 Na+ 0.99994E-07 -7.0000 0.96347E-07 -7.0162 0.96353E+00 -0.0161 8 F- 0.12127E-05 -5.9162 0.11685E-05 -5.9324 0.96353E+00 -0.0161 9 NH4+ 0.50451-102 -102.2971 0.48613-102 -102.3133 0.96356E+00 -0.0161 10 CH4,aq 0.73502-146 -146.1337 0.73495-146 -146.1337 0.99991E+00 0.0000 15 CO,aq 0.23499E-49 -49.6289 0.23499E-49 -49.6289 0.10000E+01 0.0000 16 CO2,aq 0.25983E-03 -3.5853 0.25981E-03 -3.5853 0.99991E+00 0.0000 17 CO3-2 0.16847E-12 -12.7735 0.15324E-12 -12.8146 0.90962E+00 -0.0411 18 HCN,aq 0.26618-162 -162.5748 0.26618-162 -162.5748 0.10000E+01 0.0000 19 CN- 0.84658-168 -168.0723 0.81571-168 -168.0885 0.96354E+00 -0.0161 20 OCN- 0.43578-121 -121.3607 0.41989-121 -121.3769 0.96354E+00 -0.0161 22 HCl,aq 0.75991E-09 -9.1192 0.75991E-09 -9.1192 0.10000E+01 0.0000 23 HClO,aq 0.10898E-17 -17.9626 0.10898E-17 -17.9626 0.10000E+01 0.0000 24 ClO- 0.16821E-21 -21.7741 0.16208E-21 -21.7903 0.96354E+00 -0.0161 25 HClO2,aq 0.28771E-33 -33.5410 0.28771E-33 -33.5410 0.10000E+01 0.0000 26 HF,aq 0.32604E-06 -6.4867 0.32604E-06 -6.4867 0.10000E+01 0.0000 27 HF2- 0.95506E-13 -13.0200 0.92024E-13 -13.0361 0.96354E+00 -0.0161 28 H2,aq 0.78603E-44 -44.1046 0.78596E-44 -44.1046 0.99991E+00 0.0000 29 NH3,aq 0.14728-107 -107.8318 0.14727-107 -107.8319 0.99991E+00 0.0000 30 HNO2,aq 0.17944E-63 -63.7461 0.17944E-63 -63.7461 0.10000E+01 0.0000 31 NO2- 0.58534E-63 -63.2326 0.56399E-63 -63.2487 0.96354E+00 -0.0161 32 HNO3,aq 0.91098E-55 -55.0405 0.91098E-55 -55.0405 0.10000E+01 0.0000 33 NO3- 0.99993E-50 -50.0000 0.96355E-50 -50.0161 0.96361E+00 -0.0161 34 N2,aq 0.61954-105 -105.2079 0.61948-105 -105.2080 0.99991E+00 0.0000 35 N2O2-2 0.10556-160 -160.9765 0.96018-161 -161.0176 0.90962E+00 -0.0411 36 HN2O2- 0.18669-153 -153.7289 0.17988-153 -153.7450 0.96354E+00 -0.0161 37 H2N2O2,aq 0.37121-150 -150.4304 0.37121-150 -150.4304 0.10000E+01 0.0000 40 NaCl,aq 0.33110E-12 -12.4800 0.33110E-12 -12.4800 0.10000E+01 0.0000 41 NaF,aq 0.11310E-13 -13.9465 0.11310E-13 -13.9465 0.10000E+01 0.0000 42 NaOH,aq 0.31710E-17 -17.4988 0.31710E-17 -17.4988 0.10000E+01 0.0000 43 O2,aq 0.99366E-04 -4.0028 0.99357E-04 -4.0028 0.99991E+00 0.0000 44 OH- 0.55398E-10 -10.2565 0.53378E-10 -10.2726 0.96353E+00 -0.0161 45 HO2- 0.26797E-26 -26.5719 0.25820E-26 -26.5880 0.96354E+00 -0.0161 46 H2O2,aq 0.23637E-18 -18.6264 0.23637E-18 -18.6264 0.10000E+01 0.0000 47 H2S,aq 0.13382-134 -134.8735 0.13381-134 -134.8735 0.99991E+00 0.0000 53 SO2,aq 0.77853E-47 -47.1087 0.77853E-47 -47.1087 0.10000E+01 0.0000 54 SO3-2 0.20514E-48 -48.6880 0.18664E-48 -48.7290 0.90981E+00 -0.0410 55 HSO3- 0.58853E-45 -45.2302 0.56707E-45 -45.2464 0.96354E+00 -0.0161 56 HSO4- 0.14667E-05 -5.8337 0.14133E-05 -5.8498 0.96357E+00 -0.0161 57 HSO5- 0.79243E-27 -27.1010 0.76354E-27 -27.1172 0.96354E+00 -0.0161 58 S2O3-2 0.70993-141 -141.1488 0.64577-141 -141.1899 0.90962E+00 -0.0411 59 HS2O3- 0.61495-143 -143.2112 0.59253-143 -143.2273 0.96354E+00 -0.0161 60 H2S2O3,aq 0.43386-146 -146.3627 0.43386-146 -146.3627 0.10000E+01 0.0000 61 S2O4-2 0.85470-128 -128.0682 0.77745-128 -128.1093 0.90962E+00 -0.0411 62 HS2O4- 0.47582-129 -129.3226 0.45847-129 -129.3387 0.96354E+00 -0.0161 63 H2S2O4,aq 0.20181-132 -132.6951 0.20181-132 -132.6951 0.10000E+01 0.0000 64 S2O5-2 0.53878E-95 -95.2686 0.49009E-95 -95.3097 0.90962E+00 -0.0411 65 S2O6-2 0.92260E-65 -65.0350 0.83921E-65 -65.0761 0.90962E+00 -0.0411 66 S2O8-2 0.76244E-40 -40.1178 0.69353E-40 -40.1589 0.90962E+00 -0.0411 67 S3O6-2 0.54211-165 -165.2659 0.49311-165 -165.3071 0.90962E+00 -0.0411 Charge balance for all species = -.2533E-18 Total fraction of mixing solution added: 0.0000800 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 0.2157E-66 1.0000 0.3083E-01 0.3083E-01 CO2,gas 0.5327E-67 1.0000 0.7615E-02 0.7615E-02 CH4,gas 0.4247-208 1.0000 0.6071-143 0.6071-143 H2,gas 0.7018-106 1.4792 0.1003E-40 0.6782E-41 H2S,gas 0.9974-123 0.1352 0.1095-133 0.8099-133 S2,gas 0.3258-276 1.0000 0.4657-211 0.4657-211 CO,gas 0.1671-111 1.0000 0.2388E-46 0.2388E-46 NO2,gas 0.5748-126 1.0000 0.8217E-61 0.8217E-61 SO3,gas 0.2622-100 1.0000 0.3749E-35 0.3749E-35 O2,gas 0.1000E+01 1.0000 0.1430E+66 0.1430E+66 NH3,gas 0.1644-174 1.0000 0.2350-109 0.2350-109 N2,gas 0.6665-167 1.0000 0.9529-102 0.9529-102 SO2,gas 0.3682-112 1.0000 0.5263E-47 0.5263E-47 HF,gas 0.1200E-75 1.0000 0.1715E-10 0.1715E-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 -9.93 -2.12 -0.706 0.28900E+04 -2.118 3 CH4,gas 2.98 -140.24 -143.22 -35.804 0.19539E+06 -143.217 4 H2,gas 8.42 -32.58 -41.00 -23.428 0.55934E+05 -40.999 5 H2S,gas -7.90 -141.86 -133.96 -66.980 0.18276E+06 -133.961 6 S2,gas -7.24 -218.57 -211.33 -32.513 0.28832E+06 -211.332 7 CO,gas 4.11 -42.51 -46.62 -14.345 0.63606E+05 -46.622 8 NO2,gas 76.52 15.43 -61.09 -13.962 0.83338E+05 -61.085 9 SO3,gas 23.88 -11.55 -35.43 -8.857 0.48331E+05 -35.426 10 O2,gas 66.26 65.16 -1.10 -0.735 0.15045E+04 -1.103 11 NH3,gas 11.04 -98.59 -109.63 -54.814 0.14957E+06 -109.629 12 N2,gas 2.57 -99.45 -102.02 -13.164 0.13919E+06 -102.021 13 SO2,gas 3.15 -44.13 -47.28 -12.608 0.64502E+05 -47.279 14 HF,gas 1.11 -9.65 -10.77 -5.383 0.14688E+05 -10.766 15 HCl,gas 6.31 -8.41 -14.72 -7.358 0.20076E+05 -14.715 Calculations done for 25.0000 Deg. C; 1.0000 bar Mixer fraction: 0.0000800 Fract. of mixing solution added: 0.000010 BITMOL = 0.3909E-03 OLDMOL = 0.5551E+02 New heat: 0.000 New temperature: 25.000 New mixer fraction: 0.0000900 Resulting temperature: 25.000Deg. C Solids and gases carried Charge balance check after fractionation or titration: TBAL = -.1732E-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 = 0.0000900 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 = .4176626E-03 Osmotic coef. = 0.9851 True ionic strength = .3176304E-03 Chg. balance for total moles = -.1732E-18 Max. difference allowed = 0.2400E-08 Log Log Log Species(n) Molality Molality Activity Activity Gamma Gamma 1 H+ 0.22092E-03 -3.6558 0.21266E-03 -3.6723 0.96261E+00 -0.0166 2 H2O 0.99999E+00 0.0000 0.99999E+00 0.0000 3 Cl- 0.23998E-04 -4.6198 0.23097E-04 -4.6364 0.96245E+00 -0.0166 4 SO4-- 0.96608E-04 -4.0150 0.87487E-04 -4.0581 0.90559E+00 -0.0431 5 HCO3- 0.64539E-06 -6.1902 0.62117E-06 -6.2068 0.96247E+00 -0.0166 6 HS- 0.13962-137 -137.8550 0.13438-137 -137.8717 0.96246E+00 -0.0166 7 Na+ 0.99993E-07 -7.0000 0.96238E-07 -7.0167 0.96245E+00 -0.0166 8 F- 0.13206E-05 -5.8792 0.12710E-05 -5.8958 0.96244E+00 -0.0166 9 NH4+ 0.93773-102 -102.0279 0.90254-102 -102.0445 0.96247E+00 -0.0166 10 CH4,aq 0.12208-145 -145.9134 0.12207-145 -145.9134 0.99990E+00 0.0000 15 CO,aq 0.29146E-49 -49.5354 0.29146E-49 -49.5354 0.10000E+01 0.0000 16 CO2,aq 0.29238E-03 -3.5341 0.29235E-03 -3.5341 0.99990E+00 0.0000 17 CO3-2 0.15122E-12 -12.8204 0.13694E-12 -12.8635 0.90556E+00 -0.0431 18 HCN,aq 0.54621-162 -162.2626 0.54621-162 -162.2626 0.10000E+01 0.0000 19 CN- 0.15498-167 -167.8097 0.14917-167 -167.8263 0.96245E+00 -0.0166 20 OCN- 0.72379-121 -121.1404 0.69661-121 -121.1570 0.96245E+00 -0.0166 22 HCl,aq 0.95774E-09 -9.0188 0.95774E-09 -9.0188 0.10000E+01 0.0000 23 HClO,aq 0.12461E-17 -17.9044 0.12461E-17 -17.9044 0.10000E+01 0.0000 24 ClO- 0.17159E-21 -21.7655 0.16515E-21 -21.7821 0.96245E+00 -0.0166 25 HClO2,aq 0.29846E-33 -33.5251 0.29846E-33 -33.5251 0.10000E+01 0.0000 26 HF,aq 0.39797E-06 -6.4002 0.39797E-06 -6.4002 0.10000E+01 0.0000 27 HF2- 0.12695E-12 -12.8964 0.12218E-12 -12.9130 0.96245E+00 -0.0166 28 H2,aq 0.86640E-44 -44.0623 0.86631E-44 -44.0623 0.99990E+00 0.0000 29 NH3,aq 0.24368-107 -107.6132 0.24366-107 -107.6132 0.99990E+00 0.0000 30 HNO2,aq 0.22169E-63 -63.6543 0.22169E-63 -63.6543 0.10000E+01 0.0000 31 NO2- 0.64518E-63 -63.1903 0.62096E-63 -63.2069 0.96245E+00 -0.0166 32 HNO3,aq 0.10211E-54 -54.9909 0.10211E-54 -54.9909 0.10000E+01 0.0000 33 NO3- 0.99992E-50 -50.0000 0.96246E-50 -50.0166 0.96254E+00 -0.0166 34 N2,aq 0.12664-104 -104.8974 0.12663-104 -104.8975 0.99990E+00 0.0000 35 N2O2-2 0.15616-160 -160.8064 0.14141-160 -160.8495 0.90556E+00 -0.0431 36 HN2O2- 0.30888-153 -153.5102 0.29728-153 -153.5268 0.96245E+00 -0.0166 37 H2N2O2,aq 0.68842-150 -150.1621 0.68842-150 -150.1621 0.10000E+01 0.0000 40 NaCl,aq 0.37145E-12 -12.4301 0.37145E-12 -12.4301 0.10000E+01 0.0000 41 NaF,aq 0.12289E-13 -13.9105 0.12289E-13 -13.9105 0.10000E+01 0.0000 42 NaOH,aq 0.28226E-17 -17.5493 0.28226E-17 -17.5493 0.10000E+01 0.0000 43 O2,aq 0.81788E-04 -4.0873 0.81780E-04 -4.0874 0.99990E+00 0.0000 44 OH- 0.49424E-10 -10.3061 0.47567E-10 -10.3227 0.96244E+00 -0.0166 45 HO2- 0.21690E-26 -26.6637 0.20875E-26 -26.6804 0.96245E+00 -0.0166 46 H2O2,aq 0.21445E-18 -18.6687 0.21445E-18 -18.6687 0.10000E+01 0.0000 47 H2S,aq 0.27802-134 -134.5559 0.27799-134 -134.5560 0.99990E+00 0.0000 53 SO2,aq 0.12078E-46 -46.9180 0.12078E-46 -46.9180 0.10000E+01 0.0000 54 SO3-2 0.25387E-48 -48.5954 0.22994E-48 -48.6384 0.90577E+00 -0.0430 55 HSO3- 0.81457E-45 -45.0891 0.78399E-45 -45.1057 0.96245E+00 -0.0166 56 HSO4- 0.18418E-05 -5.7348 0.17727E-05 -5.7514 0.96249E+00 -0.0166 57 HSO5- 0.90277E-27 -27.0444 0.86887E-27 -27.0610 0.96245E+00 -0.0166 58 S2O3-2 0.16560-140 -140.7809 0.14996-140 -140.8240 0.90556E+00 -0.0431 59 HS2O3- 0.16043-142 -142.7947 0.15441-142 -142.8113 0.96245E+00 -0.0166 60 H2S2O3,aq 0.12687-145 -145.8966 0.12687-145 -145.8966 0.10000E+01 0.0000 61 S2O4-2 0.18088-127 -127.7426 0.16379-127 -127.7857 0.90556E+00 -0.0431 62 HS2O4- 0.11262-128 -128.9484 0.10839-128 -128.9650 0.96245E+00 -0.0166 63 H2S2O4,aq 0.53540-132 -132.2713 0.53540-132 -132.2713 0.10000E+01 0.0000 64 S2O5-2 0.10344E-94 -94.9853 0.93675E-95 -95.0284 0.90556E+00 -0.0431 65 S2O6-2 0.16070E-64 -64.7940 0.14553E-64 -64.8371 0.90556E+00 -0.0431 66 S2O8-2 0.10931E-39 -39.9613 0.98990E-40 -40.0044 0.90556E+00 -0.0431 67 S3O6-2 0.17798-164 -164.7496 0.16118-164 -164.7927 0.90556E+00 -0.0431 Charge balance for all species = -.3733E-18 Total fraction of mixing solution added: 0.0000900 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 0.2620E-66 1.0000 0.3083E-01 0.3083E-01 CO2,gas 0.7282E-67 1.0000 0.8568E-02 0.8568E-02 CH4,gas 0.8570-208 1.0000 0.1008-142 0.1008-142 H2,gas 0.9398-106 1.4792 0.1106E-40 0.7476E-41 H2S,gas 0.1472-122 0.1352 0.2275-133 0.1683-132 S2,gas 0.1406-275 1.0000 0.1655-210 0.1655-210 CO,gas 0.2517-111 1.0000 0.2962E-46 0.2962E-46 NO2,gas 0.8218-126 1.0000 0.9670E-61 0.9670E-61 SO3,gas 0.4484-100 1.0000 0.5276E-35 0.5276E-35 O2,gas 0.1000E+01 1.0000 0.1177E+66 0.1177E+66 NH3,gas 0.3305-174 1.0000 0.3888-109 0.3888-109 N2,gas 0.1655-166 1.0000 0.1948-101 0.1948-101 SO2,gas 0.6940-112 1.0000 0.8166E-47 0.8166E-47 HF,gas 0.1779E-75 1.0000 0.2093E-10 0.2093E-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 -9.88 -2.07 -0.689 0.28201E+04 -2.067 3 CH4,gas 2.98 -140.02 -143.00 -35.749 0.19509E+06 -142.996 4 H2,gas 8.42 -32.54 -40.96 -23.404 0.55876E+05 -40.956 5 H2S,gas -7.90 -141.54 -133.64 -66.821 0.18233E+06 -133.643 6 S2,gas -7.24 -218.02 -210.78 -32.428 0.28757E+06 -210.781 7 CO,gas 4.11 -42.41 -46.53 -14.316 0.63478E+05 -46.528 8 NO2,gas 76.52 15.50 -61.01 -13.946 0.83241E+05 -61.015 9 SO3,gas 23.88 -11.40 -35.28 -8.819 0.48129E+05 -35.278 10 O2,gas 66.26 65.07 -1.19 -0.792 0.16199E+04 -1.187 11 NH3,gas 11.04 -98.37 -109.41 -54.705 0.14927E+06 -109.410 12 N2,gas 2.57 -99.14 -101.71 -13.124 0.13876E+06 -101.710 13 SO2,gas 3.15 -43.94 -47.09 -12.557 0.64241E+05 -47.088 14 HF,gas 1.11 -9.57 -10.68 -5.340 0.14569E+05 -10.679 15 HCl,gas 6.31 -8.31 -14.61 -7.307 0.19939E+05 -14.615 Calculations done for 25.0000 Deg. C; 1.0000 bar Mixer fraction: 0.0000900 Fract. of mixing solution added: 0.000010 BITMOL = 0.3909E-03 OLDMOL = 0.5551E+02 New heat: 0.000 New temperature: 25.000 New mixer fraction: 0.0001000 Resulting temperature: 25.000Deg. C Solids and gases carried Charge balance check after fractionation or titration: TBAL = -.1639E-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 = 0.0001000 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 = -.1639E-18 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 = -.6374E-18 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. ************ WARNING ! ************ PSAT calculation did not converge after 25 loops Gas composition at saturation ( 26 iterations) ------------------------------------------------- Temperature: 25.0000 deg.C Sat. pressure: 600.0000 bar Gas Mole fraction phi Fugacity Partial P(bar) H2O,gas 0.2090E-01 1.0000 0.3083E-01 0.3083E-01 CO2,gas 0.1031E-66 1.0000 0.9522E-02 0.9522E-02 CH4,gas 0.4446-161 1.0000 0.1818-142 0.1818-142 H2,gas 0.1110E-15 1.4792 0.1248E-40 0.8437E-41 H2S,gas 0.1523E-15 0.1352 0.5009-133 0.3704-132 S2,gas 0.6815-275 1.0000 0.6296-210 0.6296-210 CO,gas 0.9496E-65 1.0000 0.3715E-46 0.3715E-46 NO2,gas 0.3374E-79 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 0.2308-127 1.0000 0.6986-109 0.6986-109 N2,gas 0.4734-166 1.0000 0.4373-101 0.4373-101 SO2,gas 0.2374E-65 1.0000 0.1250E-46 0.1250E-46 HF,gas 0.6311E-29 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: 0.000010 BITMOL = 0.3909E-03 OLDMOL = 0.5551E+02 New heat: 0.000 New temperature: 25.000 New mixer fraction: 0.0001100 Resulting temperature: 25.000Deg. C Mixing fraction reached given limit of 0.1000E-03 TOTMIX = 0.1100E-03 Execution stopped.