File SKIP_SPECIES.TXT lists species and minerals omitted from the calculations due to given T, P, option switches, or suppression in CHIMRUN, or are suppressed in the SOLTHERM database. It also lists minerals for which density is not specified in SOLTHERM. This is an extended P(to 5 kB), T(to 600 C) run (CON_FLAG = 1). methanol,aq is suppressed in SOLTHERM data file. methanol,aq is suppressed in SOLTHERM data file. CuCl4-3 is suppressed in SOLTHERM data file. H2BO3- is suppressed in SOLTHERM data file. UO2CO3,aq is suppressed in SOLTHERM data file. UO2SO4,aq is suppressed in SOLTHERM data file. UO2Cl2,aq is suppressed in SOLTHERM data file. UO2F2,aq is suppressed in SOLTHERM data file. PO4-3 is suppressed in SOLTHERM data file. H2PO4- is suppressed in SOLTHERM data file. H3PO4 is suppressed in SOLTHERM data file. amesite is suppressed in SOLTHERM data file. antigorite is suppressed in SOLTHERM data file. sapphirine-Fe(221) is suppressed in SOLTHERM data file. sapphirine(221) is suppressed in SOLTHERM data file. talc-prl is suppressed in SOLTHERM data file. PrO1.833(s) is suppressed in SOLTHERM data file. niter-NH4 is suppressed in SOLTHERM data file. FMQ_HS-1 is suppressed in THIS RUN. ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ Merapi workup for air saturated water (ASW). Oxygen part already done in Solveq. Now add N2 ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ Species No. Charge Tot.moles Trial molality Gamma Mixing solution H+ 1 1. 0.12020E-03 0.10244E-06 0.9818 0.00000000E+00 H2O 2 0. 0.55508E+02 0.10000E+01 1.0000 0.00000000E+00 Cl- 3 -1. 0.10000E-06 0.10000E-06 0.9818 0.00000000E+00 SO4-- 4 -2. 0.12000E-03 0.43237E-20 0.9802 0.00000000E+00 HCO3- 5 -1. 0.10000E-06 0.10000E-06 0.9818 0.00000000E+00 HS- 6 -1. -0.12000E-03 0.36416-158 0.9818 0.00000000E+00 Na+ 7 1. 0.10000E-06 0.10000E-06 0.9818 0.00000000E+00 F- 8 -1. 0.10000E-06 0.10000E-06 0.9818 0.00000000E+00 NH4+ 9 1. 0.10000E-49 0.24356-109 0.9818 0.00000000E+00 Chg. balance for total moles = -.1355E-19 Max. difference allowed = 0.1000E-10 The following parameters were given: ERPC = 0.1000E-11 pH = 0.0000 PFLUID = 1.0000 SLIM = 0.100000E-19 TEMP = 25.0000 SINC = 0.1000E-21 TEMPC = 0.0000 TOTMIX = 0.000000E+00 ENTH = 0.0000 SENTH = 0.0000 DENTH = 0.0000 TOTWAT = 90.0000 SOLMIN = 0.0000E+00 RM = 0.0000 AQGRM = 0.0000 SUPRNT = 0.1000-199 VBOX-1 = 1.0000 RHOFRS = 0.0000 RHOROC = 2.5000 The following options were selected: CONFLG = 1 C = 3 IFRAC = 0 IPUNCH = 1 NLOOP = 400 ISTEP = 2 LIMSOL = 1 LOOC = 0 IENTH = 0 ITREF = 0 IDEAL = 0 IPSAT = 1 INCREM = 0 INCP = 0 MINSOL = 3 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 SO2,gas 13 3.150 0.0000E+00 CO2,gas 2 -7.812 0.0000E+00 HF,gas 14 1.111 0.0000E+00 CH4,gas 3 2.976 0.0000E+00 HCl,gas 15 6.306 0.0000E+00 H2,gas 4 8.421 0.0000E+00 fCO2,1bar20C 16 -7.788 0.0000E+00 H2S,gas 5 -7.901 0.0000E+00 diamond 17 -4.477 0.0000E+00 S2,gas 6 -7.236 0.0000E+00 graphite 18 -4.986 0.0000E+00 CO,gas 7 4.114 0.0000E+00 halite 19 1.572 0.0000E+00 NO2,gas 8 76.516 0.0000E+00 sulfur 20 -10.519 0.0000E+00 SO3,gas 9 23.875 0.0000E+00 mascagnite 21 -0.023 0.0000E+00 O2,gas 10 66.258 0.0000E+00 niter-Na 22 81.636 0.0000E+00 NH3,gas 11 11.038 0.0000E+00 sodium-oxide 23 67.427 0.0000E+00 N2,gas 12 2.572 0.0000E+00 24 0.000 0.0000E+00 Initial composition of reactant (mole%): N2 gas 100.0 0.000 Sum of wt% of reactants: 100.0000 Reactant consumed: 0.0000000 moles log =-100.0000 Original solution: 0.0000000 g Original solution / Rock added: 0.00 (Water/Rock Ratio), log = 0.0000 The following minerals and/or gases with identical index are in solid solution: H2O,gas 6 CO2,gas 6 CH4,gas 6 H2,gas 6 H2S,gas 6 S2,gas 6 CO,gas 6 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. Now add N2 ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ Number of loops used = 6 Loop limit = 400 Temperature = 25.00 C Pressure = 1.00 bar Mixer fraction = 0.0000000 Water: Moles liquid = 0.5551E+02 kg liquid = 0.1000E+01 Moles total = 0.5551E+02 kg total = 0.1000E+01 Activity = 1.0000 Stoichiometric ionic strength = .1802000E-03 Osmotic coef. = 0.9898 True ionic strength = .3168084E-06 Chg. balance for total moles = -.1355E-19 Max. difference allowed = 0.1000E-10 Log Log Log Species(n) Molality Molality Activity Activity Gamma Gamma 1 H+ 0.21679E-06 -6.6640 0.21282E-06 -6.6720 0.98165E+00 -0.0080 2 H2O 0.10000E+01 0.0000 0.10000E+01 0.0000 3 Cl- 0.10000E-06 -7.0000 0.98165E-07 -7.0080 0.98165E+00 -0.0080 4 SO4-- 0.43266E-20 -20.3639 0.42388E-20 -20.3728 0.97971E+00 -0.0089 5 HCO3- 0.68372E-07 -7.1651 0.67118E-07 -7.1732 0.98165E+00 -0.0080 6 HS- 0.77073-158 -158.1131 0.75659-158 -158.1211 0.98165E+00 -0.0080 7 Na+ 0.10000E-06 -7.0000 0.98165E-07 -7.0080 0.98165E+00 -0.0080 8 F- 0.99969E-07 -7.0001 0.98135E-07 -7.0082 0.98165E+00 -0.0080 9 NH4+ 0.10905-108 -108.9624 0.10705-108 -108.9704 0.98165E+00 -0.0080 10 CH4,aq 0.15328-150 -150.8145 0.15327-150 -150.8145 0.99996E+00 0.0000 15 CO,aq 0.18397E-53 -53.7353 0.18397E-53 -53.7353 0.10000E+01 0.0000 16 CO2,aq 0.31613E-07 -7.5001 0.31611E-07 -7.5002 0.99996E+00 0.0000 17 CO3-2 0.15092E-10 -10.8213 0.14785E-10 -10.8302 0.97971E+00 -0.0089 18 HCN,aq 0.40862-170 -170.3887 0.40862-170 -170.3887 0.10000E+01 0.0000 19 CN- 0.11359-172 -172.9446 0.11151-172 -172.9527 0.98165E+00 -0.0080 20 OCN- 0.90877-126 -126.0415 0.89210-126 -126.0496 0.98165E+00 -0.0080 22 HCl,aq 0.40734E-14 -14.3900 0.40734E-14 -14.3900 0.10000E+01 0.0000 23 HClO,aq 0.90794E-23 -23.0419 0.90794E-23 -23.0419 0.10000E+01 0.0000 24 ClO- 0.12249E-23 -23.9119 0.12024E-23 -23.9199 0.98165E+00 -0.0080 25 HClO2,aq 0.37252E-38 -38.4288 0.37252E-38 -38.4288 0.10000E+01 0.0000 26 HF,aq 0.30749E-10 -10.5122 0.30749E-10 -10.5122 0.10000E+01 0.0000 27 HF2- 0.74250E-18 -18.1293 0.72887E-18 -18.1373 0.98165E+00 -0.0080 28 H2,aq 0.50573E-44 -44.2961 0.50571E-44 -44.2961 0.99996E+00 0.0000 29 NH3,aq 0.28880-111 -111.5394 0.28879-111 -111.5394 0.99996E+00 0.0000 30 HNO2,aq 0.13209E-66 -66.8791 0.13209E-66 -66.8791 0.10000E+01 0.0000 31 NO2- 0.37662E-63 -63.4241 0.36971E-63 -63.4321 0.98165E+00 -0.0080 32 HNO3,aq 0.10422E-57 -57.9820 0.10422E-57 -57.9820 0.10000E+01 0.0000 33 NO3- 0.10000E-49 -50.0000 0.98165E-50 -50.0080 0.98165E+00 -0.0080 34 N2,aq 0.89425-112 -112.0485 0.89421-112 -112.0486 0.99996E+00 0.0000 35 N2O2-2 0.17435-161 -161.7586 0.17082-161 -161.7675 0.97971E+00 -0.0089 36 HN2O2- 0.36608-157 -157.4364 0.35936-157 -157.4445 0.98165E+00 -0.0080 37 H2N2O2,aq 0.83279-157 -157.0795 0.83279-157 -157.0795 0.10000E+01 0.0000 40 NaCl,aq 0.16103E-14 -14.7931 0.16103E-14 -14.7931 0.10000E+01 0.0000 41 NaF,aq 0.96779E-15 -15.0142 0.96779E-15 -15.0142 0.10000E+01 0.0000 42 NaOH,aq 0.28771E-14 -14.5410 0.28771E-14 -14.5410 0.10000E+01 0.0000 43 O2,aq 0.24000E-03 -3.6198 0.23999E-03 -3.6198 0.99996E+00 0.0000 44 OH- 0.48422E-07 -7.3150 0.47533E-07 -7.3230 0.98165E+00 -0.0080 45 HO2- 0.36403E-23 -23.4389 0.35735E-23 -23.4469 0.98165E+00 -0.0080 46 H2O2,aq 0.36736E-18 -18.4349 0.36736E-18 -18.4349 0.10000E+01 0.0000 47 H2S,aq 0.15663-157 -157.8051 0.15663-157 -157.8051 0.99996E+00 0.0000 53 SO2,aq 0.34210E-69 -69.4658 0.34210E-69 -69.4658 0.10000E+01 0.0000 54 SO3-2 0.66381E-65 -65.1780 0.65035E-65 -65.1869 0.97971E+00 -0.0089 55 HSO3- 0.22604E-64 -64.6458 0.22190E-64 -64.6539 0.98165E+00 -0.0080 56 HSO4- 0.87556E-25 -25.0577 0.85950E-25 -25.0658 0.98165E+00 -0.0080 57 HSO5- 0.73516E-46 -46.1336 0.72167E-46 -46.1417 0.98165E+00 -0.0080 58 S2O3-2 0.41783-180 -180.3790 0.40936-180 -180.3879 0.97971E+00 -0.0089 59 HS2O3- 0.42968-185 -185.3669 0.42180-185 -185.3749 0.98165E+00 -0.0080 60 H2S2O3,aq 0.34682-191 -191.4599 0.34682-191 -191.4599 0.10000E+01 0.0000 61 S2O4-2 0.78181-167 -167.1069 0.76595-167 -167.1158 0.97971E+00 -0.0089 62 HS2O4- 0.51671-171 -171.2868 0.50723-171 -171.2948 0.98165E+00 -0.0080 63 H2S2O4,aq 0.25073-177 -177.6008 0.25073-177 -177.6008 0.10000E+01 0.0000 64 S2O5-2 0.76594-134 -134.1158 0.75041-134 -134.1247 0.97971E+00 -0.0089 65 S2O6-2 0.20384-103 -103.6907 0.19971-103 -103.6996 0.97971E+00 -0.0089 66 S2O8-2 0.40690E-78 -78.3905 0.39864E-78 -78.3994 0.97971E+00 -0.0089 Charge balance for all species = -.3084E-19 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. Reactant consumed: 0.0000000 moles log =-100.0000 Original solution: 0.0000000 g Original solution / Rock added: 0.00 (Water/Rock Ratio), log = 0.0000 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 0.8929E-67 1.0000 0.3083E-01 0.3083E-01 CO2,gas 0.2683E-71 1.0000 0.9265E-06 0.9265E-06 CH4,gas 0.3667-213 1.0000 0.1266-147 0.1266-147 H2,gas 0.1869-106 1.0000 0.6455E-41 0.6455E-41 H2S,gas 0.3713-222 1.0000 0.1282-156 0.1282-156 S2,gas 0.4447-322 1.0000 0.1541-256 0.1541-256 CO,gas 0.5414-116 1.0000 0.1870E-50 0.1870E-50 NO2,gas 0.2184-129 1.0000 0.7541E-64 0.7541E-64 SO3,gas 0.7414-123 1.0000 0.2560E-57 0.2560E-57 O2,gas 0.1000E+01 1.0000 0.3453E+66 0.3453E+66 NH3,gas 0.1335-178 1.0000 0.4609-113 0.4609-113 N2,gas 0.3983-174 1.0000 0.1375-108 0.1375-108 SO2,gas 0.6698-135 1.0000 0.2313E-69 0.2313E-69 HF,gas 0.4684E-80 1.0000 0.1617E-14 0.1617E-14 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 -13.85 -6.03 -2.011 0.82309E+04 -6.033 3 CH4,gas 2.98 -144.92 -147.90 -36.974 0.20177E+06 -147.898 4 H2,gas 8.42 -32.77 -41.19 -23.537 0.56195E+05 -41.190 5 H2S,gas -7.90 -164.79 -156.89 -78.446 0.21405E+06 -156.892 6 S2,gas -7.24 -264.05 -256.81 -39.510 0.35036E+06 -256.812 7 CO,gas 4.11 -46.61 -50.73 -15.609 0.69208E+05 -50.728 8 NO2,gas 76.52 12.39 -64.12 -14.657 0.87481E+05 -64.123 9 SO3,gas 23.88 -33.72 -57.59 -14.398 0.78572E+05 -57.592 10 O2,gas 66.26 65.54 -0.72 -0.480 0.98202E+03 -0.720 11 NH3,gas 11.04 -102.30 -113.34 -56.668 0.15462E+06 -113.336 12 N2,gas 2.57 -106.29 -108.86 -14.047 0.14852E+06 -108.862 13 SO2,gas 3.15 -66.49 -69.64 -18.570 0.95003E+05 -69.636 14 HF,gas 1.11 -13.68 -14.79 -7.396 0.20179E+05 -14.791 15 HCl,gas 6.31 -13.68 -19.99 -9.993 0.27267E+05 -19.986 Calculations done for 25.0000 Deg. C; 1.0000 bar Next reactant titration increment of: 0.0000000 MOLES Current total amount of reactant added: 0.0000000 MOLES New total amount of reactant added: 0.0000000 MOLES Solids and gases carried Charge balance check after fractionation or titration: TBAL = -.1335E-19 ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ Merapi workup for air saturated water (ASW). Oxygen part already done in Solveq. Now add N2 ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ Number of loops used = 6 Loop limit = 400 Temperature = 25.00 C Pressure = 1.00 bar Mixer fraction = 0.0000000 Water: Moles liquid = 0.5551E+02 kg liquid = 0.1000E+01 Moles total = 0.5551E+02 kg total = 0.1000E+01 Activity = 1.0000 Stoichiometric ionic strength = .1802000E-03 Osmotic coef. = 0.9898 True ionic strength = .3168084E-06 Chg. balance for total moles = -.1335E-19 Max. difference allowed = 0.1000E-10 Log Log Log Species(n) Molality Molality Activity Activity Gamma Gamma 1 H+ 0.21679E-06 -6.6640 0.21282E-06 -6.6720 0.98165E+00 -0.0080 2 H2O 0.10000E+01 0.0000 0.10000E+01 0.0000 3 Cl- 0.10000E-06 -7.0000 0.98165E-07 -7.0080 0.98165E+00 -0.0080 4 SO4-- 0.43263E-20 -20.3639 0.42386E-20 -20.3728 0.97971E+00 -0.0089 5 HCO3- 0.68372E-07 -7.1651 0.67118E-07 -7.1732 0.98165E+00 -0.0080 6 HS- 0.77069-158 -158.1131 0.75655-158 -158.1212 0.98165E+00 -0.0080 7 Na+ 0.10000E-06 -7.0000 0.98165E-07 -7.0080 0.98165E+00 -0.0080 8 F- 0.99969E-07 -7.0001 0.98135E-07 -7.0082 0.98165E+00 -0.0080 9 NH4+ 0.21810E-80 -80.6613 0.21410E-80 -80.6694 0.98165E+00 -0.0080 10 CH4,aq 0.15328-150 -150.8145 0.15327-150 -150.8145 0.99996E+00 0.0000 15 CO,aq 0.18397E-53 -53.7353 0.18397E-53 -53.7353 0.10000E+01 0.0000 16 CO2,aq 0.31613E-07 -7.5001 0.31611E-07 -7.5002 0.99996E+00 0.0000 17 CO3-2 0.15092E-10 -10.8213 0.14785E-10 -10.8302 0.97971E+00 -0.0089 18 HCN,aq 0.81724-142 -142.0876 0.81724-142 -142.0876 0.10000E+01 0.0000 19 CN- 0.22719-144 -144.6436 0.22302-144 -144.6517 0.98165E+00 -0.0080 20 OCN- 0.18175E-97 -97.7405 0.17842E-97 -97.7486 0.98165E+00 -0.0080 22 HCl,aq 0.40734E-14 -14.3900 0.40734E-14 -14.3900 0.10000E+01 0.0000 23 HClO,aq 0.90794E-23 -23.0419 0.90794E-23 -23.0419 0.10000E+01 0.0000 24 ClO- 0.12249E-23 -23.9119 0.12024E-23 -23.9199 0.98165E+00 -0.0080 25 HClO2,aq 0.37252E-38 -38.4288 0.37252E-38 -38.4288 0.10000E+01 0.0000 26 HF,aq 0.30749E-10 -10.5122 0.30749E-10 -10.5122 0.10000E+01 0.0000 27 HF2- 0.74250E-18 -18.1293 0.72887E-18 -18.1373 0.98165E+00 -0.0080 28 H2,aq 0.50573E-44 -44.2961 0.50571E-44 -44.2961 0.99996E+00 0.0000 29 NH3,aq 0.57760E-83 -83.2384 0.57757E-83 -83.2384 0.99996E+00 0.0000 30 HNO2,aq 0.26418E-38 -38.5781 0.26418E-38 -38.5781 0.10000E+01 0.0000 31 NO2- 0.75324E-35 -35.1231 0.73942E-35 -35.1311 0.98165E+00 -0.0080 32 HNO3,aq 0.20844E-29 -29.6810 0.20844E-29 -29.6810 0.10000E+01 0.0000 33 NO3- 0.20000E-21 -21.6990 0.19633E-21 -21.7070 0.98165E+00 -0.0080 34 N2,aq 0.35770E-55 -55.4465 0.35768E-55 -55.4465 0.99996E+00 0.0000 35 N2O2-2 0.69741-105 -105.1565 0.68326-105 -105.1654 0.97971E+00 -0.0089 36 HN2O2- 0.14643-100 -100.8344 0.14374-100 -100.8424 0.98165E+00 -0.0080 37 H2N2O2,aq 0.33312-100 -100.4774 0.33312-100 -100.4774 0.10000E+01 0.0000 38 N2H5+ 0.17921-155 -155.7466 0.17592-155 -155.7547 0.98165E+00 -0.0080 39 N2H6+2 0.35910-163 -163.4448 0.35181-163 -163.4537 0.97971E+00 -0.0089 40 NaCl,aq 0.16103E-14 -14.7931 0.16103E-14 -14.7931 0.10000E+01 0.0000 41 NaF,aq 0.96779E-15 -15.0142 0.96779E-15 -15.0142 0.10000E+01 0.0000 42 NaOH,aq 0.28771E-14 -14.5410 0.28771E-14 -14.5410 0.10000E+01 0.0000 43 O2,aq 0.24000E-03 -3.6198 0.23999E-03 -3.6198 0.99996E+00 0.0000 44 OH- 0.48422E-07 -7.3150 0.47533E-07 -7.3230 0.98165E+00 -0.0080 45 HO2- 0.36403E-23 -23.4389 0.35735E-23 -23.4469 0.98165E+00 -0.0080 46 H2O2,aq 0.36736E-18 -18.4349 0.36736E-18 -18.4349 0.10000E+01 0.0000 47 H2S,aq 0.15662-157 -157.8051 0.15662-157 -157.8052 0.99996E+00 0.0000 53 SO2,aq 0.34208E-69 -69.4659 0.34208E-69 -69.4659 0.10000E+01 0.0000 54 SO3-2 0.66378E-65 -65.1780 0.65031E-65 -65.1869 0.97971E+00 -0.0089 55 HSO3- 0.22603E-64 -64.6458 0.22188E-64 -64.6539 0.98165E+00 -0.0080 56 HSO4- 0.87552E-25 -25.0577 0.85945E-25 -25.0658 0.98165E+00 -0.0080 57 HSO5- 0.73513E-46 -46.1336 0.72164E-46 -46.1417 0.98165E+00 -0.0080 58 S2O3-2 0.41779-180 -180.3790 0.40932-180 -180.3879 0.97971E+00 -0.0089 59 HS2O3- 0.42964-185 -185.3669 0.42176-185 -185.3749 0.98165E+00 -0.0080 60 H2S2O3,aq 0.34679-191 -191.4599 0.34679-191 -191.4599 0.10000E+01 0.0000 61 S2O4-2 0.78173-167 -167.1069 0.76587-167 -167.1158 0.97971E+00 -0.0089 62 HS2O4- 0.51666-171 -171.2868 0.50718-171 -171.2948 0.98165E+00 -0.0080 63 H2S2O4,aq 0.25070-177 -177.6008 0.25070-177 -177.6008 0.10000E+01 0.0000 64 S2O5-2 0.76587-134 -134.1158 0.75033-134 -134.1247 0.97971E+00 -0.0089 65 S2O6-2 0.20382-103 -103.6908 0.19969-103 -103.6997 0.97971E+00 -0.0089 66 S2O8-2 0.40686E-78 -78.3906 0.39860E-78 -78.3995 0.97971E+00 -0.0089 Charge balance for all species = -.3636E-19 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. Reactant consumed: 0.0000000 moles log = -22.0000 Original solution: 0.0000000 g Original solution / Rock added: 0.00 (Water/Rock Ratio), log = 0.0000 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 0.8929E-67 1.0000 0.3083E-01 0.3083E-01 CO2,gas 0.2683E-71 1.0000 0.9265E-06 0.9265E-06 CH4,gas 0.3667-213 1.0000 0.1266-147 0.1266-147 H2,gas 0.1869-106 1.0000 0.6455E-41 0.6455E-41 H2S,gas 0.3712-222 1.0000 0.1282-156 0.1282-156 S2,gas 0.4447-322 1.0000 0.1541-256 0.1541-256 CO,gas 0.5414-116 1.0000 0.1870E-50 0.1870E-50 NO2,gas 0.4368-101 1.0000 0.1508E-35 0.1508E-35 SO3,gas 0.7414-123 1.0000 0.2560E-57 0.2560E-57 O2,gas 0.1000E+01 1.0000 0.3453E+66 0.3453E+66 NH3,gas 0.2669-150 1.0000 0.9217E-85 0.9217E-85 N2,gas 0.1593-117 1.0000 0.5502E-52 0.5502E-52 SO2,gas 0.6698-135 1.0000 0.2313E-69 0.2313E-69 HF,gas 0.4684E-80 1.0000 0.1617E-14 0.1617E-14 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 -13.85 -6.03 -2.011 0.82309E+04 -6.033 3 CH4,gas 2.98 -144.92 -147.90 -36.974 0.20177E+06 -147.898 4 H2,gas 8.42 -32.77 -41.19 -23.537 0.56195E+05 -41.190 5 H2S,gas -7.90 -164.79 -156.89 -78.446 0.21405E+06 -156.892 6 S2,gas -7.24 -264.05 -256.81 -39.510 0.35036E+06 -256.812 7 CO,gas 4.11 -46.61 -50.73 -15.609 0.69208E+05 -50.728 8 NO2,gas 76.52 40.69 -35.82 -8.188 0.48871E+05 -35.822 9 SO3,gas 23.88 -33.72 -57.59 -14.398 0.78572E+05 -57.592 10 O2,gas 66.26 65.54 -0.72 -0.480 0.98202E+03 -0.720 11 NH3,gas 11.04 -74.00 -85.04 -42.518 0.11601E+06 -85.035 12 N2,gas 2.57 -49.69 -52.26 -6.743 0.71297E+05 -52.260 13 SO2,gas 3.15 -66.49 -69.64 -18.570 0.95003E+05 -69.636 14 HF,gas 1.11 -13.68 -14.79 -7.396 0.20179E+05 -14.791 15 HCl,gas 6.31 -13.68 -19.99 -9.993 0.27267E+05 -19.986 Calculations done for 25.0000 Deg. C; 1.0000 bar Next reactant titration increment of: 0.0000000 MOLES Current total amount of reactant added: 0.0000000 MOLES New total amount of reactant added: 0.0000000 MOLES Solids and gases carried Charge balance check after fractionation or titration: TBAL = -.1315E-19 ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ Merapi workup for air saturated water (ASW). Oxygen part already done in Solveq. Now add N2 ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ Number of loops used = 6 Loop limit = 400 Temperature = 25.00 C Pressure = 1.00 bar Mixer fraction = 0.0000000 Water: Moles liquid = 0.5551E+02 kg liquid = 0.1000E+01 Moles total = 0.5551E+02 kg total = 0.1000E+01 Activity = 1.0000 Stoichiometric ionic strength = .1802000E-03 Osmotic coef. = 0.9898 True ionic strength = .3168084E-06 Chg. balance for total moles = -.1315E-19 Max. difference allowed = 0.1000E-10 Log Log Log Species(n) Molality Molality Activity Activity Gamma Gamma 1 H+ 0.21679E-06 -6.6640 0.21282E-06 -6.6720 0.98165E+00 -0.0080 2 H2O 0.10000E+01 0.0000 0.10000E+01 0.0000 3 Cl- 0.10000E-06 -7.0000 0.98165E-07 -7.0080 0.98165E+00 -0.0080 4 SO4-- 0.43261E-20 -20.3639 0.42384E-20 -20.3728 0.97971E+00 -0.0089 5 HCO3- 0.68372E-07 -7.1651 0.67118E-07 -7.1732 0.98165E+00 -0.0080 6 HS- 0.77065-158 -158.1131 0.75651-158 -158.1212 0.98165E+00 -0.0080 7 Na+ 0.10000E-06 -7.0000 0.98165E-07 -7.0080 0.98165E+00 -0.0080 8 F- 0.99969E-07 -7.0001 0.98135E-07 -7.0082 0.98165E+00 -0.0080 9 NH4+ 0.43620E-80 -80.3603 0.42819E-80 -80.3684 0.98165E+00 -0.0080 10 CH4,aq 0.15328-150 -150.8145 0.15327-150 -150.8145 0.99996E+00 0.0000 15 CO,aq 0.18397E-53 -53.7353 0.18397E-53 -53.7353 0.10000E+01 0.0000 16 CO2,aq 0.31613E-07 -7.5001 0.31611E-07 -7.5002 0.99996E+00 0.0000 17 CO3-2 0.15092E-10 -10.8213 0.14785E-10 -10.8302 0.97971E+00 -0.0089 18 HCN,aq 0.16345-141 -141.7866 0.16345-141 -141.7866 0.10000E+01 0.0000 19 CN- 0.45438-144 -144.3426 0.44604-144 -144.3506 0.98165E+00 -0.0080 20 OCN- 0.36351E-97 -97.4395 0.35684E-97 -97.4475 0.98165E+00 -0.0080 22 HCl,aq 0.40734E-14 -14.3900 0.40734E-14 -14.3900 0.10000E+01 0.0000 23 HClO,aq 0.90794E-23 -23.0419 0.90794E-23 -23.0419 0.10000E+01 0.0000 24 ClO- 0.12249E-23 -23.9119 0.12024E-23 -23.9199 0.98165E+00 -0.0080 25 HClO2,aq 0.37252E-38 -38.4288 0.37252E-38 -38.4288 0.10000E+01 0.0000 26 HF,aq 0.30749E-10 -10.5122 0.30749E-10 -10.5122 0.10000E+01 0.0000 27 HF2- 0.74250E-18 -18.1293 0.72887E-18 -18.1373 0.98165E+00 -0.0080 28 H2,aq 0.50573E-44 -44.2961 0.50571E-44 -44.2961 0.99996E+00 0.0000 29 NH3,aq 0.11552E-82 -82.9373 0.11551E-82 -82.9374 0.99996E+00 0.0000 30 HNO2,aq 0.52835E-38 -38.2771 0.52835E-38 -38.2771 0.10000E+01 0.0000 31 NO2- 0.15065E-34 -34.8220 0.14788E-34 -34.8301 0.98165E+00 -0.0080 32 HNO3,aq 0.41689E-29 -29.3800 0.41689E-29 -29.3800 0.10000E+01 0.0000 33 NO3- 0.40000E-21 -21.3979 0.39266E-21 -21.4060 0.98165E+00 -0.0080 34 N2,aq 0.14308E-54 -54.8444 0.14307E-54 -54.8444 0.99996E+00 0.0000 35 N2O2-2 0.27897-104 -104.5544 0.27331-104 -104.5634 0.97971E+00 -0.0089 36 HN2O2- 0.58573-100 -100.2323 0.57498-100 -100.2403 0.98165E+00 -0.0080 37 H2N2O2,aq 0.13325E-99 -99.8753 0.13325E-99 -99.8753 0.10000E+01 0.0000 38 N2H5+ 0.71682-155 -155.1446 0.70367-155 -155.1526 0.98165E+00 -0.0080 39 N2H6+2 0.14364-162 -162.8427 0.14073-162 -162.8516 0.97971E+00 -0.0089 40 NaCl,aq 0.16103E-14 -14.7931 0.16103E-14 -14.7931 0.10000E+01 0.0000 41 NaF,aq 0.96779E-15 -15.0142 0.96779E-15 -15.0142 0.10000E+01 0.0000 42 NaOH,aq 0.28771E-14 -14.5410 0.28771E-14 -14.5410 0.10000E+01 0.0000 43 O2,aq 0.24000E-03 -3.6198 0.23999E-03 -3.6198 0.99996E+00 0.0000 44 OH- 0.48422E-07 -7.3150 0.47533E-07 -7.3230 0.98165E+00 -0.0080 45 HO2- 0.36403E-23 -23.4389 0.35735E-23 -23.4469 0.98165E+00 -0.0080 46 H2O2,aq 0.36736E-18 -18.4349 0.36736E-18 -18.4349 0.10000E+01 0.0000 47 H2S,aq 0.15662-157 -157.8052 0.15661-157 -157.8052 0.99996E+00 0.0000 53 SO2,aq 0.34206E-69 -69.4659 0.34206E-69 -69.4659 0.10000E+01 0.0000 54 SO3-2 0.66375E-65 -65.1780 0.65028E-65 -65.1869 0.97971E+00 -0.0089 55 HSO3- 0.22602E-64 -64.6459 0.22187E-64 -64.6539 0.98165E+00 -0.0080 56 HSO4- 0.87547E-25 -25.0578 0.85941E-25 -25.0658 0.98165E+00 -0.0080 57 HSO5- 0.73509E-46 -46.1337 0.72160E-46 -46.1417 0.98165E+00 -0.0080 58 S2O3-2 0.41775-180 -180.3791 0.40927-180 -180.3880 0.97971E+00 -0.0089 59 HS2O3- 0.42960-185 -185.3669 0.42171-185 -185.3750 0.98165E+00 -0.0080 60 H2S2O3,aq 0.34675-191 -191.4600 0.34675-191 -191.4600 0.10000E+01 0.0000 61 S2O4-2 0.78165-167 -167.1070 0.76579-167 -167.1159 0.97971E+00 -0.0089 62 HS2O4- 0.51660-171 -171.2868 0.50712-171 -171.2949 0.98165E+00 -0.0080 63 H2S2O4,aq 0.25068-177 -177.6009 0.25068-177 -177.6009 0.10000E+01 0.0000 64 S2O5-2 0.76579-134 -134.1159 0.75025-134 -134.1248 0.97971E+00 -0.0089 65 S2O6-2 0.20380-103 -103.6908 0.19967-103 -103.6997 0.97971E+00 -0.0089 66 S2O8-2 0.40682E-78 -78.3906 0.39856E-78 -78.3995 0.97971E+00 -0.0089 Charge balance for all species = -.2581E-19 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. Reactant consumed: 0.0000000 moles log = -21.6990 Original solution: 0.0000000 g Original solution / Rock added: 0.00 (Water/Rock Ratio), log = 0.0000 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 0.8929E-67 1.0000 0.3083E-01 0.3083E-01 CO2,gas 0.2683E-71 1.0000 0.9265E-06 0.9265E-06 CH4,gas 0.3667-213 1.0000 0.1266-147 0.1266-147 H2,gas 0.1869-106 1.0000 0.6455E-41 0.6455E-41 H2S,gas 0.3712-222 1.0000 0.1282-156 0.1282-156 S2,gas 0.4447-322 1.0000 0.1541-256 0.1541-256 CO,gas 0.5414-116 1.0000 0.1870E-50 0.1870E-50 NO2,gas 0.8735-101 1.0000 0.3016E-35 0.3016E-35 SO3,gas 0.7413-123 1.0000 0.2560E-57 0.2560E-57 O2,gas 0.1000E+01 1.0000 0.3453E+66 0.3453E+66 NH3,gas 0.5339-150 1.0000 0.1843E-84 0.1843E-84 N2,gas 0.6373-117 1.0000 0.2201E-51 0.2201E-51 SO2,gas 0.6698-135 1.0000 0.2313E-69 0.2313E-69 HF,gas 0.4684E-80 1.0000 0.1617E-14 0.1617E-14 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 -13.85 -6.03 -2.011 0.82309E+04 -6.033 3 CH4,gas 2.98 -144.92 -147.90 -36.974 0.20177E+06 -147.898 4 H2,gas 8.42 -32.77 -41.19 -23.537 0.56195E+05 -41.190 5 H2S,gas -7.90 -164.79 -156.89 -78.446 0.21405E+06 -156.892 6 S2,gas -7.24 -264.05 -256.81 -39.510 0.35037E+06 -256.812 7 CO,gas 4.11 -46.61 -50.73 -15.609 0.69208E+05 -50.728 8 NO2,gas 76.52 41.00 -35.52 -8.119 0.48460E+05 -35.521 9 SO3,gas 23.88 -33.72 -57.59 -14.398 0.78572E+05 -57.592 10 O2,gas 66.26 65.54 -0.72 -0.480 0.98202E+03 -0.720 11 NH3,gas 11.04 -73.70 -84.73 -42.367 0.11560E+06 -84.734 12 N2,gas 2.57 -49.09 -51.66 -6.665 0.70475E+05 -51.657 13 SO2,gas 3.15 -66.49 -69.64 -18.570 0.95003E+05 -69.636 14 HF,gas 1.11 -13.68 -14.79 -7.396 0.20179E+05 -14.791 15 HCl,gas 6.31 -13.68 -19.99 -9.993 0.27267E+05 -19.986 Calculations done for 25.0000 Deg. C; 1.0000 bar Next reactant titration increment of: 0.0000000 MOLES Current total amount of reactant added: 0.0000000 MOLES New total amount of reactant added: 0.0000000 MOLES Solids and gases carried Charge balance check after fractionation or titration: TBAL = -.1295E-19 ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ Merapi workup for air saturated water (ASW). Oxygen part already done in Solveq. Now add N2 ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ Number of loops used = 6 Loop limit = 400 Temperature = 25.00 C Pressure = 1.00 bar Mixer fraction = 0.0000000 Water: Moles liquid = 0.5551E+02 kg liquid = 0.1000E+01 Moles total = 0.5551E+02 kg total = 0.1000E+01 Activity = 1.0000 Stoichiometric ionic strength = .1802000E-03 Osmotic coef. = 0.9898 True ionic strength = .3168084E-06 Chg. balance for total moles = -.1295E-19 Max. difference allowed = 0.1000E-10 Log Log Log Species(n) Molality Molality Activity Activity Gamma Gamma 1 H+ 0.21679E-06 -6.6640 0.21282E-06 -6.6720 0.98165E+00 -0.0080 2 H2O 0.10000E+01 0.0000 0.10000E+01 0.0000 3 Cl- 0.10000E-06 -7.0000 0.98165E-07 -7.0080 0.98165E+00 -0.0080 4 SO4-- 0.43259E-20 -20.3639 0.42381E-20 -20.3728 0.97971E+00 -0.0089 5 HCO3- 0.68372E-07 -7.1651 0.67118E-07 -7.1732 0.98165E+00 -0.0080 6 HS- 0.77061-158 -158.1132 0.75647-158 -158.1212 0.98165E+00 -0.0080 7 Na+ 0.10000E-06 -7.0000 0.98165E-07 -7.0080 0.98165E+00 -0.0080 8 F- 0.99969E-07 -7.0001 0.98135E-07 -7.0082 0.98165E+00 -0.0080 9 NH4+ 0.65429E-80 -80.1842 0.64229E-80 -80.1923 0.98165E+00 -0.0080 10 CH4,aq 0.15328-150 -150.8145 0.15327-150 -150.8145 0.99996E+00 0.0000 15 CO,aq 0.18397E-53 -53.7353 0.18397E-53 -53.7353 0.10000E+01 0.0000 16 CO2,aq 0.31613E-07 -7.5001 0.31611E-07 -7.5002 0.99996E+00 0.0000 17 CO3-2 0.15092E-10 -10.8213 0.14785E-10 -10.8302 0.97971E+00 -0.0089 18 HCN,aq 0.24517-141 -141.6105 0.24517-141 -141.6105 0.10000E+01 0.0000 19 CN- 0.68157-144 -144.1665 0.66906-144 -144.1745 0.98165E+00 -0.0080 20 OCN- 0.54526E-97 -97.2634 0.53526E-97 -97.2714 0.98165E+00 -0.0080 22 HCl,aq 0.40734E-14 -14.3900 0.40734E-14 -14.3900 0.10000E+01 0.0000 23 HClO,aq 0.90794E-23 -23.0419 0.90794E-23 -23.0419 0.10000E+01 0.0000 24 ClO- 0.12249E-23 -23.9119 0.12024E-23 -23.9199 0.98165E+00 -0.0080 25 HClO2,aq 0.37252E-38 -38.4288 0.37252E-38 -38.4288 0.10000E+01 0.0000 26 HF,aq 0.30749E-10 -10.5122 0.30749E-10 -10.5122 0.10000E+01 0.0000 27 HF2- 0.74250E-18 -18.1293 0.72887E-18 -18.1373 0.98165E+00 -0.0080 28 H2,aq 0.50573E-44 -44.2961 0.50571E-44 -44.2961 0.99996E+00 0.0000 29 NH3,aq 0.17328E-82 -82.7613 0.17327E-82 -82.7613 0.99996E+00 0.0000 30 HNO2,aq 0.79253E-38 -38.1010 0.79253E-38 -38.1010 0.10000E+01 0.0000 31 NO2- 0.22597E-34 -34.6459 0.22183E-34 -34.6540 0.98165E+00 -0.0080 32 HNO3,aq 0.62533E-29 -29.2039 0.62533E-29 -29.2039 0.10000E+01 0.0000 33 NO3- 0.60000E-21 -21.2218 0.58899E-21 -21.2299 0.98165E+00 -0.0080 34 N2,aq 0.32193E-54 -54.4922 0.32192E-54 -54.4923 0.99996E+00 0.0000 35 N2O2-2 0.62767-104 -104.2023 0.61494-104 -104.2112 0.97971E+00 -0.0089 36 HN2O2- 0.13179E-99 -99.8801 0.12937E-99 -99.8882 0.98165E+00 -0.0080 37 H2N2O2,aq 0.29980E-99 -99.5232 0.29980E-99 -99.5232 0.10000E+01 0.0000 38 N2H5+ 0.16129-154 -154.7924 0.15833-154 -154.8004 0.98165E+00 -0.0080 39 N2H6+2 0.32319-162 -162.4905 0.31663-162 -162.4994 0.97971E+00 -0.0089 40 NaCl,aq 0.16103E-14 -14.7931 0.16103E-14 -14.7931 0.10000E+01 0.0000 41 NaF,aq 0.96779E-15 -15.0142 0.96779E-15 -15.0142 0.10000E+01 0.0000 42 NaOH,aq 0.28771E-14 -14.5410 0.28771E-14 -14.5410 0.10000E+01 0.0000 43 O2,aq 0.24000E-03 -3.6198 0.23999E-03 -3.6198 0.99996E+00 0.0000 44 OH- 0.48422E-07 -7.3150 0.47533E-07 -7.3230 0.98165E+00 -0.0080 45 HO2- 0.36403E-23 -23.4389 0.35735E-23 -23.4469 0.98165E+00 -0.0080 46 H2O2,aq 0.36736E-18 -18.4349 0.36736E-18 -18.4349 0.10000E+01 0.0000 47 H2S,aq 0.15661-157 -157.8052 0.15660-157 -157.8052 0.99996E+00 0.0000 53 SO2,aq 0.34205E-69 -69.4659 0.34205E-69 -69.4659 0.10000E+01 0.0000 54 SO3-2 0.66371E-65 -65.1780 0.65025E-65 -65.1869 0.97971E+00 -0.0089 55 HSO3- 0.22601E-64 -64.6459 0.22186E-64 -64.6539 0.98165E+00 -0.0080 56 HSO4- 0.87543E-25 -25.0578 0.85937E-25 -25.0658 0.98165E+00 -0.0080 57 HSO5- 0.73505E-46 -46.1337 0.72156E-46 -46.1417 0.98165E+00 -0.0080 58 S2O3-2 0.41771-180 -180.3791 0.40923-180 -180.3880 0.97971E+00 -0.0089 59 HS2O3- 0.42955-185 -185.3670 0.42167-185 -185.3750 0.98165E+00 -0.0080 60 H2S2O3,aq 0.34672-191 -191.4600 0.34672-191 -191.4600 0.10000E+01 0.0000 61 S2O4-2 0.78157-167 -167.1070 0.76572-167 -167.1159 0.97971E+00 -0.0089 62 HS2O4- 0.51655-171 -171.2869 0.50707-171 -171.2949 0.98165E+00 -0.0080 63 H2S2O4,aq 0.25065-177 -177.6009 0.25065-177 -177.6009 0.10000E+01 0.0000 64 S2O5-2 0.76571-134 -134.1159 0.75018-134 -134.1248 0.97971E+00 -0.0089 65 S2O6-2 0.20378-103 -103.6908 0.19965-103 -103.6997 0.97971E+00 -0.0089 66 S2O8-2 0.40678E-78 -78.3906 0.39852E-78 -78.3995 0.97971E+00 -0.0089 Charge balance for all species = -.2880E-19 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. Reactant consumed: 0.0000000 moles log = -21.5229 Original solution: 0.0000000 g Original solution / Rock added: 0.00 (Water/Rock Ratio), log = 0.0000 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 0.8929E-67 1.0000 0.3083E-01 0.3083E-01 CO2,gas 0.2683E-71 1.0000 0.9265E-06 0.9265E-06 CH4,gas 0.3667-213 1.0000 0.1266-147 0.1266-147 H2,gas 0.1869-106 1.0000 0.6455E-41 0.6455E-41 H2S,gas 0.3712-222 1.0000 0.1282-156 0.1282-156 S2,gas 0.4447-322 1.0000 0.1541-256 0.1541-256 CO,gas 0.5414-116 1.0000 0.1870E-50 0.1870E-50 NO2,gas 0.1310-100 1.0000 0.4524E-35 0.4524E-35 SO3,gas 0.7413-123 1.0000 0.2560E-57 0.2560E-57 O2,gas 0.1000E+01 1.0000 0.3453E+66 0.3453E+66 NH3,gas 0.8008-150 1.0000 0.2765E-84 0.2765E-84 N2,gas 0.1434-116 1.0000 0.4952E-51 0.4952E-51 SO2,gas 0.6697-135 1.0000 0.2313E-69 0.2313E-69 HF,gas 0.4684E-80 1.0000 0.1617E-14 0.1617E-14 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 -13.85 -6.03 -2.011 0.82309E+04 -6.033 3 CH4,gas 2.98 -144.92 -147.90 -36.974 0.20177E+06 -147.898 4 H2,gas 8.42 -32.77 -41.19 -23.537 0.56195E+05 -41.190 5 H2S,gas -7.90 -164.79 -156.89 -78.446 0.21405E+06 -156.892 6 S2,gas -7.24 -264.05 -256.81 -39.510 0.35037E+06 -256.812 7 CO,gas 4.11 -46.61 -50.73 -15.609 0.69208E+05 -50.728 8 NO2,gas 76.52 41.17 -35.34 -8.079 0.48220E+05 -35.344 9 SO3,gas 23.88 -33.72 -57.59 -14.398 0.78572E+05 -57.592 10 O2,gas 66.26 65.54 -0.72 -0.480 0.98202E+03 -0.720 11 NH3,gas 11.04 -73.52 -84.56 -42.279 0.11536E+06 -84.558 12 N2,gas 2.57 -48.73 -51.31 -6.620 0.69995E+05 -51.305 13 SO2,gas 3.15 -66.49 -69.64 -18.570 0.95003E+05 -69.636 14 HF,gas 1.11 -13.68 -14.79 -7.396 0.20179E+05 -14.791 15 HCl,gas 6.31 -13.68 -19.99 -9.993 0.27267E+05 -19.986 Calculations done for 25.0000 Deg. C; 1.0000 bar Next reactant titration increment of: 0.0000000 MOLES Current total amount of reactant added: 0.0000000 MOLES New total amount of reactant added: 0.0000000 MOLES Solids and gases carried Charge balance check after fractionation or titration: TBAL = -.1275E-19 ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ Merapi workup for air saturated water (ASW). Oxygen part already done in Solveq. Now add N2 ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ Number of loops used = 6 Loop limit = 400 Temperature = 25.00 C Pressure = 1.00 bar Mixer fraction = 0.0000000 Water: Moles liquid = 0.5551E+02 kg liquid = 0.1000E+01 Moles total = 0.5551E+02 kg total = 0.1000E+01 Activity = 1.0000 Stoichiometric ionic strength = .1802000E-03 Osmotic coef. = 0.9898 True ionic strength = .3168084E-06 Chg. balance for total moles = -.1275E-19 Max. difference allowed = 0.1000E-10 Log Log Log Species(n) Molality Molality Activity Activity Gamma Gamma 1 H+ 0.21679E-06 -6.6640 0.21282E-06 -6.6720 0.98165E+00 -0.0080 2 H2O 0.10000E+01 0.0000 0.10000E+01 0.0000 3 Cl- 0.10000E-06 -7.0000 0.98165E-07 -7.0080 0.98165E+00 -0.0080 4 SO4-- 0.43257E-20 -20.3639 0.42379E-20 -20.3728 0.97971E+00 -0.0089 5 HCO3- 0.68372E-07 -7.1651 0.67118E-07 -7.1732 0.98165E+00 -0.0080 6 HS- 0.77057-158 -158.1132 0.75643-158 -158.1212 0.98165E+00 -0.0080 7 Na+ 0.10000E-06 -7.0000 0.98165E-07 -7.0080 0.98165E+00 -0.0080 8 F- 0.99969E-07 -7.0001 0.98135E-07 -7.0082 0.98165E+00 -0.0080 9 NH4+ 0.87239E-80 -80.0593 0.85638E-80 -80.0673 0.98165E+00 -0.0080 10 CH4,aq 0.15328-150 -150.8145 0.15327-150 -150.8145 0.99996E+00 0.0000 15 CO,aq 0.18397E-53 -53.7353 0.18397E-53 -53.7353 0.10000E+01 0.0000 16 CO2,aq 0.31613E-07 -7.5001 0.31611E-07 -7.5002 0.99996E+00 0.0000 17 CO3-2 0.15092E-10 -10.8213 0.14785E-10 -10.8302 0.97971E+00 -0.0089 18 HCN,aq 0.32690-141 -141.4856 0.32690-141 -141.4856 0.10000E+01 0.0000 19 CN- 0.90876-144 -144.0416 0.89209-144 -144.0496 0.98165E+00 -0.0080 20 OCN- 0.72702E-97 -97.1385 0.71368E-97 -97.1465 0.98165E+00 -0.0080 22 HCl,aq 0.40734E-14 -14.3900 0.40734E-14 -14.3900 0.10000E+01 0.0000 23 HClO,aq 0.90794E-23 -23.0419 0.90794E-23 -23.0419 0.10000E+01 0.0000 24 ClO- 0.12249E-23 -23.9119 0.12024E-23 -23.9199 0.98165E+00 -0.0080 25 HClO2,aq 0.37252E-38 -38.4288 0.37252E-38 -38.4288 0.10000E+01 0.0000 26 HF,aq 0.30749E-10 -10.5122 0.30749E-10 -10.5122 0.10000E+01 0.0000 27 HF2- 0.74250E-18 -18.1293 0.72887E-18 -18.1373 0.98165E+00 -0.0080 28 H2,aq 0.50573E-44 -44.2961 0.50571E-44 -44.2961 0.99996E+00 0.0000 29 NH3,aq 0.23104E-82 -82.6363 0.23103E-82 -82.6363 0.99996E+00 0.0000 30 HNO2,aq 0.10567E-37 -37.9760 0.10567E-37 -37.9760 0.10000E+01 0.0000 31 NO2- 0.30130E-34 -34.5210 0.29577E-34 -34.5290 0.98165E+00 -0.0080 32 HNO3,aq 0.83378E-29 -29.0789 0.83378E-29 -29.0789 0.10000E+01 0.0000 33 NO3- 0.80000E-21 -21.0969 0.78532E-21 -21.1050 0.98165E+00 -0.0080 34 N2,aq 0.57232E-54 -54.2424 0.57229E-54 -54.2424 0.99996E+00 0.0000 35 N2O2-2 0.11159-103 -103.9524 0.10932-103 -103.9613 0.97971E+00 -0.0089 36 HN2O2- 0.23429E-99 -99.6302 0.22999E-99 -99.6383 0.98165E+00 -0.0080 37 H2N2O2,aq 0.53299E-99 -99.2733 0.53299E-99 -99.2733 0.10000E+01 0.0000 38 N2H5+ 0.28673-154 -154.5425 0.28147-154 -154.5506 0.98165E+00 -0.0080 39 N2H6+2 0.57456-162 -162.2407 0.56290-162 -162.2496 0.97971E+00 -0.0089 40 NaCl,aq 0.16103E-14 -14.7931 0.16103E-14 -14.7931 0.10000E+01 0.0000 41 NaF,aq 0.96779E-15 -15.0142 0.96779E-15 -15.0142 0.10000E+01 0.0000 42 NaOH,aq 0.28771E-14 -14.5410 0.28771E-14 -14.5410 0.10000E+01 0.0000 43 O2,aq 0.24000E-03 -3.6198 0.23999E-03 -3.6198 0.99996E+00 0.0000 44 OH- 0.48422E-07 -7.3150 0.47533E-07 -7.3230 0.98165E+00 -0.0080 45 HO2- 0.36403E-23 -23.4389 0.35735E-23 -23.4469 0.98165E+00 -0.0080 46 H2O2,aq 0.36736E-18 -18.4349 0.36736E-18 -18.4349 0.10000E+01 0.0000 47 H2S,aq 0.15660-157 -157.8052 0.15659-157 -157.8052 0.99996E+00 0.0000 53 SO2,aq 0.34203E-69 -69.4659 0.34203E-69 -69.4659 0.10000E+01 0.0000 54 SO3-2 0.66368E-65 -65.1780 0.65021E-65 -65.1869 0.97971E+00 -0.0089 55 HSO3- 0.22600E-64 -64.6459 0.22185E-64 -64.6539 0.98165E+00 -0.0080 56 HSO4- 0.87538E-25 -25.0578 0.85932E-25 -25.0658 0.98165E+00 -0.0080 57 HSO5- 0.73501E-46 -46.1337 0.72153E-46 -46.1417 0.98165E+00 -0.0080 58 S2O3-2 0.41767-180 -180.3792 0.40919-180 -180.3881 0.97971E+00 -0.0089 59 HS2O3- 0.42951-185 -185.3670 0.42163-185 -185.3751 0.98165E+00 -0.0080 60 H2S2O3,aq 0.34668-191 -191.4601 0.34668-191 -191.4601 0.10000E+01 0.0000 61 S2O4-2 0.78149-167 -167.1071 0.76564-167 -167.1160 0.97971E+00 -0.0089 62 HS2O4- 0.51650-171 -171.2869 0.50702-171 -171.2950 0.98165E+00 -0.0080 63 H2S2O4,aq 0.25063-177 -177.6010 0.25063-177 -177.6010 0.10000E+01 0.0000 64 S2O5-2 0.76563-134 -134.1160 0.75010-134 -134.1249 0.97971E+00 -0.0089 65 S2O6-2 0.20376-103 -103.6909 0.19963-103 -103.6998 0.97971E+00 -0.0089 66 S2O8-2 0.40673E-78 -78.3907 0.39848E-78 -78.3996 0.97971E+00 -0.0089 Charge balance for all species = -.1598E-19 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. Reactant consumed: 0.0000000 moles log = -21.3979 Original solution: 0.0000000 g Original solution / Rock added: 0.00 (Water/Rock Ratio), log = 0.0000 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 0.8929E-67 1.0000 0.3083E-01 0.3083E-01 CO2,gas 0.2683E-71 1.0000 0.9265E-06 0.9265E-06 CH4,gas 0.3667-213 1.0000 0.1266-147 0.1266-147 H2,gas 0.1869-106 1.0000 0.6455E-41 0.6455E-41 H2S,gas 0.3712-222 1.0000 0.1282-156 0.1282-156 S2,gas 0.4447-322 1.0000 0.1541-256 0.1541-256 CO,gas 0.5414-116 1.0000 0.1870E-50 0.1870E-50 NO2,gas 0.1747-100 1.0000 0.6033E-35 0.6033E-35 SO3,gas 0.7413-123 1.0000 0.2560E-57 0.2560E-57 O2,gas 0.1000E+01 1.0000 0.3453E+66 0.3453E+66 NH3,gas 0.1068-149 1.0000 0.3687E-84 0.3687E-84 N2,gas 0.2549-116 1.0000 0.8803E-51 0.8803E-51 SO2,gas 0.6697-135 1.0000 0.2312E-69 0.2312E-69 HF,gas 0.4684E-80 1.0000 0.1617E-14 0.1617E-14 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 -13.85 -6.03 -2.011 0.82309E+04 -6.033 3 CH4,gas 2.98 -144.92 -147.90 -36.974 0.20177E+06 -147.898 4 H2,gas 8.42 -32.77 -41.19 -23.537 0.56195E+05 -41.190 5 H2S,gas -7.90 -164.79 -156.89 -78.446 0.21405E+06 -156.892 6 S2,gas -7.24 -264.05 -256.81 -39.510 0.35037E+06 -256.812 7 CO,gas 4.11 -46.61 -50.73 -15.609 0.69208E+05 -50.728 8 NO2,gas 76.52 41.30 -35.22 -8.050 0.48049E+05 -35.219 9 SO3,gas 23.88 -33.72 -57.59 -14.398 0.78572E+05 -57.592 10 O2,gas 66.26 65.54 -0.72 -0.480 0.98202E+03 -0.720 11 NH3,gas 11.04 -73.40 -84.43 -42.217 0.11519E+06 -84.433 12 N2,gas 2.57 -48.48 -51.06 -6.588 0.69654E+05 -51.055 13 SO2,gas 3.15 -66.49 -69.64 -18.570 0.95003E+05 -69.636 14 HF,gas 1.11 -13.68 -14.79 -7.396 0.20179E+05 -14.791 15 HCl,gas 6.31 -13.68 -19.99 -9.993 0.27267E+05 -19.986 Calculations done for 25.0000 Deg. C; 1.0000 bar Next reactant titration increment of: 0.0000000 MOLES Current total amount of reactant added: 0.0000000 MOLES New total amount of reactant added: 0.0000000 MOLES Solids and gases carried Charge balance check after fractionation or titration: TBAL = -.1255E-19 ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ Merapi workup for air saturated water (ASW). Oxygen part already done in Solveq. Now add N2 ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ Number of loops used = 6 Loop limit = 400 Temperature = 25.00 C Pressure = 1.00 bar Mixer fraction = 0.0000000 Water: Moles liquid = 0.5551E+02 kg liquid = 0.1000E+01 Moles total = 0.5551E+02 kg total = 0.1000E+01 Activity = 1.0000 Stoichiometric ionic strength = .1802000E-03 Osmotic coef. = 0.9898 True ionic strength = .3168084E-06 Chg. balance for total moles = -.1255E-19 Max. difference allowed = 0.1000E-10 Log Log Log Species(n) Molality Molality Activity Activity Gamma Gamma 1 H+ 0.21679E-06 -6.6640 0.21282E-06 -6.6720 0.98165E+00 -0.0080 2 H2O 0.10000E+01 0.0000 0.10000E+01 0.0000 3 Cl- 0.10000E-06 -7.0000 0.98165E-07 -7.0080 0.98165E+00 -0.0080 4 SO4-- 0.43255E-20 -20.3640 0.42377E-20 -20.3729 0.97971E+00 -0.0089 5 HCO3- 0.68372E-07 -7.1651 0.67118E-07 -7.1732 0.98165E+00 -0.0080 6 HS- 0.77053-158 -158.1132 0.75639-158 -158.1213 0.98165E+00 -0.0080 7 Na+ 0.10000E-06 -7.0000 0.98165E-07 -7.0080 0.98165E+00 -0.0080 8 F- 0.99969E-07 -7.0001 0.98135E-07 -7.0082 0.98165E+00 -0.0080 9 NH4+ 0.10905E-79 -79.9624 0.10705E-79 -79.9704 0.98165E+00 -0.0080 10 CH4,aq 0.15328-150 -150.8145 0.15327-150 -150.8145 0.99996E+00 0.0000 15 CO,aq 0.18397E-53 -53.7353 0.18397E-53 -53.7353 0.10000E+01 0.0000 16 CO2,aq 0.31613E-07 -7.5001 0.31611E-07 -7.5002 0.99996E+00 0.0000 17 CO3-2 0.15092E-10 -10.8213 0.14785E-10 -10.8302 0.97971E+00 -0.0089 18 HCN,aq 0.40862-141 -141.3887 0.40862-141 -141.3887 0.10000E+01 0.0000 19 CN- 0.11359-143 -143.9446 0.11151-143 -143.9527 0.98165E+00 -0.0080 20 OCN- 0.90877E-97 -97.0415 0.89210E-97 -97.0496 0.98165E+00 -0.0080 22 HCl,aq 0.40734E-14 -14.3900 0.40734E-14 -14.3900 0.10000E+01 0.0000 23 HClO,aq 0.90794E-23 -23.0419 0.90794E-23 -23.0419 0.10000E+01 0.0000 24 ClO- 0.12249E-23 -23.9119 0.12024E-23 -23.9199 0.98165E+00 -0.0080 25 HClO2,aq 0.37252E-38 -38.4288 0.37252E-38 -38.4288 0.10000E+01 0.0000 26 HF,aq 0.30749E-10 -10.5122 0.30749E-10 -10.5122 0.10000E+01 0.0000 27 HF2- 0.74250E-18 -18.1293 0.72887E-18 -18.1373 0.98165E+00 -0.0080 28 H2,aq 0.50573E-44 -44.2961 0.50571E-44 -44.2961 0.99996E+00 0.0000 29 NH3,aq 0.28880E-82 -82.5394 0.28879E-82 -82.5394 0.99996E+00 0.0000 30 HNO2,aq 0.13209E-37 -37.8791 0.13209E-37 -37.8791 0.10000E+01 0.0000 31 NO2- 0.37662E-34 -34.4241 0.36971E-34 -34.4321 0.98165E+00 -0.0080 32 HNO3,aq 0.10422E-28 -28.9820 0.10422E-28 -28.9820 0.10000E+01 0.0000 33 NO3- 0.10000E-20 -21.0000 0.98165E-21 -21.0080 0.98165E+00 -0.0080 34 N2,aq 0.89425E-54 -54.0485 0.89421E-54 -54.0486 0.99996E+00 0.0000 35 N2O2-2 0.17435-103 -103.7586 0.17082-103 -103.7675 0.97971E+00 -0.0089 36 HN2O2- 0.36608E-99 -99.4364 0.35936E-99 -99.4445 0.98165E+00 -0.0080 37 H2N2O2,aq 0.83279E-99 -99.0795 0.83279E-99 -99.0795 0.10000E+01 0.0000 38 N2H5+ 0.44802-154 -154.3487 0.43979-154 -154.3567 0.98165E+00 -0.0080 39 N2H6+2 0.89775-162 -162.0468 0.87954-162 -162.0557 0.97971E+00 -0.0089 40 NaCl,aq 0.16103E-14 -14.7931 0.16103E-14 -14.7931 0.10000E+01 0.0000 41 NaF,aq 0.96779E-15 -15.0142 0.96779E-15 -15.0142 0.10000E+01 0.0000 42 NaOH,aq 0.28771E-14 -14.5410 0.28771E-14 -14.5410 0.10000E+01 0.0000 43 O2,aq 0.24000E-03 -3.6198 0.23999E-03 -3.6198 0.99996E+00 0.0000 44 OH- 0.48422E-07 -7.3150 0.47533E-07 -7.3230 0.98165E+00 -0.0080 45 HO2- 0.36403E-23 -23.4389 0.35735E-23 -23.4469 0.98165E+00 -0.0080 46 H2O2,aq 0.36736E-18 -18.4349 0.36736E-18 -18.4349 0.10000E+01 0.0000 47 H2S,aq 0.15659-157 -157.8052 0.15659-157 -157.8052 0.99996E+00 0.0000 53 SO2,aq 0.34201E-69 -69.4660 0.34201E-69 -69.4660 0.10000E+01 0.0000 54 SO3-2 0.66365E-65 -65.1781 0.65018E-65 -65.1870 0.97971E+00 -0.0089 55 HSO3- 0.22599E-64 -64.6459 0.22184E-64 -64.6540 0.98165E+00 -0.0080 56 HSO4- 0.87534E-25 -25.0578 0.85928E-25 -25.0659 0.98165E+00 -0.0080 57 HSO5- 0.73498E-46 -46.1337 0.72149E-46 -46.1418 0.98165E+00 -0.0080 58 S2O3-2 0.41762-180 -180.3792 0.40915-180 -180.3881 0.97971E+00 -0.0089 59 HS2O3- 0.42947-185 -185.3671 0.42159-185 -185.3751 0.98165E+00 -0.0080 60 H2S2O3,aq 0.34665-191 -191.4601 0.34665-191 -191.4601 0.10000E+01 0.0000 61 S2O4-2 0.78141-167 -167.1071 0.76556-167 -167.1160 0.97971E+00 -0.0089 62 HS2O4- 0.51645-171 -171.2870 0.50697-171 -171.2950 0.98165E+00 -0.0080 63 H2S2O4,aq 0.25060-177 -177.6010 0.25060-177 -177.6010 0.10000E+01 0.0000 64 S2O5-2 0.76556-134 -134.1160 0.75003-134 -134.1249 0.97971E+00 -0.0089 65 S2O6-2 0.20374-103 -103.6909 0.19961-103 -103.6998 0.97971E+00 -0.0089 66 S2O8-2 0.40669E-78 -78.3907 0.39844E-78 -78.3996 0.97971E+00 -0.0089 Charge balance for all species = -.3301E-19 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. Reactant consumed: 0.0000000 moles log = -21.3010 Original solution: 0.0000000 g Original solution / Rock added: 0.00 (Water/Rock Ratio), log = 0.0000 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 0.8929E-67 1.0000 0.3083E-01 0.3083E-01 CO2,gas 0.2683E-71 1.0000 0.9265E-06 0.9265E-06 CH4,gas 0.3667-213 1.0000 0.1266-147 0.1266-147 H2,gas 0.1869-106 1.0000 0.6455E-41 0.6455E-41 H2S,gas 0.3712-222 1.0000 0.1282-156 0.1282-156 S2,gas 0.4447-322 1.0000 0.1541-256 0.1541-256 CO,gas 0.5414-116 1.0000 0.1870E-50 0.1870E-50 NO2,gas 0.2184-100 1.0000 0.7541E-35 0.7541E-35 SO3,gas 0.7412-123 1.0000 0.2559E-57 0.2559E-57 O2,gas 0.1000E+01 1.0000 0.3453E+66 0.3453E+66 NH3,gas 0.1335-149 1.0000 0.4609E-84 0.4609E-84 N2,gas 0.3983-116 1.0000 0.1375E-50 0.1375E-50 SO2,gas 0.6697-135 1.0000 0.2312E-69 0.2312E-69 HF,gas 0.4684E-80 1.0000 0.1617E-14 0.1617E-14 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 -13.85 -6.03 -2.011 0.82309E+04 -6.033 3 CH4,gas 2.98 -144.92 -147.90 -36.974 0.20177E+06 -147.898 4 H2,gas 8.42 -32.77 -41.19 -23.537 0.56195E+05 -41.190 5 H2S,gas -7.90 -164.79 -156.89 -78.446 0.21405E+06 -156.892 6 S2,gas -7.24 -264.05 -256.81 -39.510 0.35037E+06 -256.812 7 CO,gas 4.11 -46.61 -50.73 -15.609 0.69208E+05 -50.728 8 NO2,gas 76.52 41.39 -35.12 -8.028 0.47917E+05 -35.123 9 SO3,gas 23.88 -33.72 -57.59 -14.398 0.78572E+05 -57.592 10 O2,gas 66.26 65.54 -0.72 -0.480 0.98202E+03 -0.720 11 NH3,gas 11.04 -73.30 -84.34 -42.168 0.11506E+06 -84.336 12 N2,gas 2.57 -48.29 -50.86 -6.563 0.69390E+05 -50.862 13 SO2,gas 3.15 -66.49 -69.64 -18.570 0.95003E+05 -69.636 14 HF,gas 1.11 -13.68 -14.79 -7.396 0.20179E+05 -14.791 15 HCl,gas 6.31 -13.68 -19.99 -9.993 0.27267E+05 -19.986 Calculations done for 25.0000 Deg. C; 1.0000 bar Next reactant titration increment of: 0.0000000 MOLES Current total amount of reactant added: 0.0000000 MOLES New total amount of reactant added: 0.0000000 MOLES Solids and gases carried Charge balance check after fractionation or titration: TBAL = -.1235E-19 ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ Merapi workup for air saturated water (ASW). Oxygen part already done in Solveq. Now add N2 ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ Number of loops used = 6 Loop limit = 400 Temperature = 25.00 C Pressure = 1.00 bar Mixer fraction = 0.0000000 Water: Moles liquid = 0.5551E+02 kg liquid = 0.1000E+01 Moles total = 0.5551E+02 kg total = 0.1000E+01 Activity = 1.0000 Stoichiometric ionic strength = .1802000E-03 Osmotic coef. = 0.9898 True ionic strength = .3168084E-06 Chg. balance for total moles = -.1235E-19 Max. difference allowed = 0.1000E-10 Log Log Log Species(n) Molality Molality Activity Activity Gamma Gamma 1 H+ 0.21679E-06 -6.6640 0.21282E-06 -6.6720 0.98165E+00 -0.0080 2 H2O 0.10000E+01 0.0000 0.10000E+01 0.0000 3 Cl- 0.10000E-06 -7.0000 0.98165E-07 -7.0080 0.98165E+00 -0.0080 4 SO4-- 0.43252E-20 -20.3640 0.42375E-20 -20.3729 0.97971E+00 -0.0089 5 HCO3- 0.68372E-07 -7.1651 0.67118E-07 -7.1732 0.98165E+00 -0.0080 6 HS- 0.77049-158 -158.1132 0.75636-158 -158.1213 0.98165E+00 -0.0080 7 Na+ 0.10000E-06 -7.0000 0.98165E-07 -7.0080 0.98165E+00 -0.0080 8 F- 0.99969E-07 -7.0001 0.98135E-07 -7.0082 0.98165E+00 -0.0080 9 NH4+ 0.13086E-79 -79.8832 0.12846E-79 -79.8912 0.98165E+00 -0.0080 10 CH4,aq 0.15328-150 -150.8145 0.15327-150 -150.8145 0.99996E+00 0.0000 15 CO,aq 0.18397E-53 -53.7353 0.18397E-53 -53.7353 0.10000E+01 0.0000 16 CO2,aq 0.31613E-07 -7.5001 0.31611E-07 -7.5002 0.99996E+00 0.0000 17 CO3-2 0.15092E-10 -10.8213 0.14785E-10 -10.8302 0.97971E+00 -0.0089 18 HCN,aq 0.49034-141 -141.3095 0.49034-141 -141.3095 0.10000E+01 0.0000 19 CN- 0.13631-143 -143.8655 0.13381-143 -143.8735 0.98165E+00 -0.0080 20 OCN- 0.10905E-96 -96.9624 0.10705E-96 -96.9704 0.98165E+00 -0.0080 22 HCl,aq 0.40734E-14 -14.3900 0.40734E-14 -14.3900 0.10000E+01 0.0000 23 HClO,aq 0.90794E-23 -23.0419 0.90794E-23 -23.0419 0.10000E+01 0.0000 24 ClO- 0.12249E-23 -23.9119 0.12024E-23 -23.9199 0.98165E+00 -0.0080 25 HClO2,aq 0.37252E-38 -38.4288 0.37252E-38 -38.4288 0.10000E+01 0.0000 26 HF,aq 0.30749E-10 -10.5122 0.30749E-10 -10.5122 0.10000E+01 0.0000 27 HF2- 0.74250E-18 -18.1293 0.72887E-18 -18.1373 0.98165E+00 -0.0080 28 H2,aq 0.50573E-44 -44.2961 0.50571E-44 -44.2961 0.99996E+00 0.0000 29 NH3,aq 0.34656E-82 -82.4602 0.34654E-82 -82.4602 0.99996E+00 0.0000 30 HNO2,aq 0.15851E-37 -37.8000 0.15851E-37 -37.8000 0.10000E+01 0.0000 31 NO2- 0.45194E-34 -34.3449 0.44365E-34 -34.3530 0.98165E+00 -0.0080 32 HNO3,aq 0.12507E-28 -28.9029 0.12507E-28 -28.9029 0.10000E+01 0.0000 33 NO3- 0.12000E-20 -20.9208 0.11780E-20 -20.9289 0.98165E+00 -0.0080 34 N2,aq 0.12877E-53 -53.8902 0.12877E-53 -53.8902 0.99996E+00 0.0000 35 N2O2-2 0.25107-103 -103.6002 0.24598-103 -103.6091 0.97971E+00 -0.0089 36 HN2O2- 0.52715E-99 -99.2781 0.51748E-99 -99.2861 0.98165E+00 -0.0080 37 H2N2O2,aq 0.11992E-98 -98.9211 0.11992E-98 -98.9211 0.10000E+01 0.0000 38 N2H5+ 0.64514-154 -154.1903 0.63330-154 -154.1984 0.98165E+00 -0.0080 39 N2H6+2 0.12928-161 -161.8885 0.12665-161 -161.8974 0.97971E+00 -0.0089 40 NaCl,aq 0.16103E-14 -14.7931 0.16103E-14 -14.7931 0.10000E+01 0.0000 41 NaF,aq 0.96779E-15 -15.0142 0.96779E-15 -15.0142 0.10000E+01 0.0000 42 NaOH,aq 0.28771E-14 -14.5410 0.28771E-14 -14.5410 0.10000E+01 0.0000 43 O2,aq 0.24000E-03 -3.6198 0.23999E-03 -3.6198 0.99996E+00 0.0000 44 OH- 0.48422E-07 -7.3150 0.47533E-07 -7.3230 0.98165E+00 -0.0080 45 HO2- 0.36403E-23 -23.4389 0.35735E-23 -23.4469 0.98165E+00 -0.0080 46 H2O2,aq 0.36736E-18 -18.4349 0.36736E-18 -18.4349 0.10000E+01 0.0000 47 H2S,aq 0.15658-157 -157.8053 0.15658-157 -157.8053 0.99996E+00 0.0000 53 SO2,aq 0.34199E-69 -69.4660 0.34199E-69 -69.4660 0.10000E+01 0.0000 54 SO3-2 0.66361E-65 -65.1781 0.65015E-65 -65.1870 0.97971E+00 -0.0089 55 HSO3- 0.22597E-64 -64.6459 0.22183E-64 -64.6540 0.98165E+00 -0.0080 56 HSO4- 0.87530E-25 -25.0578 0.85924E-25 -25.0659 0.98165E+00 -0.0080 57 HSO5- 0.73494E-46 -46.1337 0.72145E-46 -46.1418 0.98165E+00 -0.0080 58 S2O3-2 0.41758-180 -180.3793 0.40911-180 -180.3882 0.97971E+00 -0.0089 59 HS2O3- 0.42942-185 -185.3671 0.42154-185 -185.3752 0.98165E+00 -0.0080 60 H2S2O3,aq 0.34661-191 -191.4602 0.34661-191 -191.4602 0.10000E+01 0.0000 61 S2O4-2 0.78133-167 -167.1072 0.76548-167 -167.1161 0.97971E+00 -0.0089 62 HS2O4- 0.51639-171 -171.2870 0.50692-171 -171.2951 0.98165E+00 -0.0080 63 H2S2O4,aq 0.25058-177 -177.6011 0.25058-177 -177.6011 0.10000E+01 0.0000 64 S2O5-2 0.76548-134 -134.1161 0.74995-134 -134.1250 0.97971E+00 -0.0089 65 S2O6-2 0.20372-103 -103.6910 0.19959-103 -103.6999 0.97971E+00 -0.0089 66 S2O8-2 0.40665E-78 -78.3908 0.39840E-78 -78.3997 0.97971E+00 -0.0089 Charge balance for all species = -.2081E-19 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. Reactant consumed: 0.0000000 moles log = -21.2218 Original solution: 0.0000000 g Original solution / Rock added: 0.00 (Water/Rock Ratio), log = 0.0000 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 0.8929E-67 1.0000 0.3083E-01 0.3083E-01 CO2,gas 0.2683E-71 1.0000 0.9265E-06 0.9265E-06 CH4,gas 0.3667-213 1.0000 0.1266-147 0.1266-147 H2,gas 0.1869-106 1.0000 0.6455E-41 0.6455E-41 H2S,gas 0.3711-222 1.0000 0.1282-156 0.1282-156 S2,gas 0.4447-322 1.0000 0.1540-256 0.1540-256 CO,gas 0.5414-116 1.0000 0.1870E-50 0.1870E-50 NO2,gas 0.2621-100 1.0000 0.9049E-35 0.9049E-35 SO3,gas 0.7412-123 1.0000 0.2559E-57 0.2559E-57 O2,gas 0.1000E+01 1.0000 0.3453E+66 0.3453E+66 NH3,gas 0.1602-149 1.0000 0.5530E-84 0.5530E-84 N2,gas 0.5736-116 1.0000 0.1981E-50 0.1981E-50 SO2,gas 0.6696-135 1.0000 0.2312E-69 0.2312E-69 HF,gas 0.4684E-80 1.0000 0.1617E-14 0.1617E-14 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 -13.85 -6.03 -2.011 0.82309E+04 -6.033 3 CH4,gas 2.98 -144.92 -147.90 -36.974 0.20177E+06 -147.898 4 H2,gas 8.42 -32.77 -41.19 -23.537 0.56195E+05 -41.190 5 H2S,gas -7.90 -164.79 -156.89 -78.446 0.21405E+06 -156.892 6 S2,gas -7.24 -264.05 -256.81 -39.510 0.35037E+06 -256.812 7 CO,gas 4.11 -46.61 -50.73 -15.609 0.69208E+05 -50.728 8 NO2,gas 76.52 41.47 -35.04 -8.010 0.47809E+05 -35.043 9 SO3,gas 23.88 -33.72 -57.59 -14.398 0.78572E+05 -57.592 10 O2,gas 66.26 65.54 -0.72 -0.480 0.98202E+03 -0.720 11 NH3,gas 11.04 -73.22 -84.26 -42.129 0.11495E+06 -84.257 12 N2,gas 2.57 -48.13 -50.70 -6.542 0.69174E+05 -50.703 13 SO2,gas 3.15 -66.49 -69.64 -18.570 0.95003E+05 -69.636 14 HF,gas 1.11 -13.68 -14.79 -7.396 0.20179E+05 -14.791 15 HCl,gas 6.31 -13.68 -19.99 -9.993 0.27267E+05 -19.986 Calculations done for 25.0000 Deg. C; 1.0000 bar Next reactant titration increment of: 0.0000000 MOLES Current total amount of reactant added: 0.0000000 MOLES New total amount of reactant added: 0.0000000 MOLES Solids and gases carried Charge balance check after fractionation or titration: TBAL = -.1215E-19 ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ Merapi workup for air saturated water (ASW). Oxygen part already done in Solveq. Now add N2 ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ Number of loops used = 6 Loop limit = 400 Temperature = 25.00 C Pressure = 1.00 bar Mixer fraction = 0.0000000 Water: Moles liquid = 0.5551E+02 kg liquid = 0.1000E+01 Moles total = 0.5551E+02 kg total = 0.1000E+01 Activity = 1.0000 Stoichiometric ionic strength = .1802000E-03 Osmotic coef. = 0.9898 True ionic strength = .3168084E-06 Chg. balance for total moles = -.1215E-19 Max. difference allowed = 0.1000E-10 Log Log Log Species(n) Molality Molality Activity Activity Gamma Gamma 1 H+ 0.21679E-06 -6.6640 0.21282E-06 -6.6720 0.98165E+00 -0.0080 2 H2O 0.10000E+01 0.0000 0.10000E+01 0.0000 3 Cl- 0.10000E-06 -7.0000 0.98165E-07 -7.0080 0.98165E+00 -0.0080 4 SO4-- 0.43250E-20 -20.3640 0.42373E-20 -20.3729 0.97971E+00 -0.0089 5 HCO3- 0.68372E-07 -7.1651 0.67118E-07 -7.1732 0.98165E+00 -0.0080 6 HS- 0.77045-158 -158.1133 0.75632-158 -158.1213 0.98165E+00 -0.0080 7 Na+ 0.10000E-06 -7.0000 0.98165E-07 -7.0080 0.98165E+00 -0.0080 8 F- 0.99969E-07 -7.0001 0.98135E-07 -7.0082 0.98165E+00 -0.0080 9 NH4+ 0.15267E-79 -79.8163 0.14987E-79 -79.8243 0.98165E+00 -0.0080 10 CH4,aq 0.15328-150 -150.8145 0.15327-150 -150.8145 0.99996E+00 0.0000 15 CO,aq 0.18397E-53 -53.7353 0.18397E-53 -53.7353 0.10000E+01 0.0000 16 CO2,aq 0.31613E-07 -7.5001 0.31611E-07 -7.5002 0.99996E+00 0.0000 17 CO3-2 0.15092E-10 -10.8213 0.14785E-10 -10.8302 0.97971E+00 -0.0089 18 HCN,aq 0.57207-141 -141.2426 0.57207-141 -141.2426 0.10000E+01 0.0000 19 CN- 0.15903-143 -143.7985 0.15612-143 -143.8066 0.98165E+00 -0.0080 20 OCN- 0.12723E-96 -96.8954 0.12489E-96 -96.9035 0.98165E+00 -0.0080 22 HCl,aq 0.40734E-14 -14.3900 0.40734E-14 -14.3900 0.10000E+01 0.0000 23 HClO,aq 0.90794E-23 -23.0419 0.90794E-23 -23.0419 0.10000E+01 0.0000 24 ClO- 0.12249E-23 -23.9119 0.12024E-23 -23.9199 0.98165E+00 -0.0080 25 HClO2,aq 0.37252E-38 -38.4288 0.37252E-38 -38.4288 0.10000E+01 0.0000 26 HF,aq 0.30749E-10 -10.5122 0.30749E-10 -10.5122 0.10000E+01 0.0000 27 HF2- 0.74250E-18 -18.1293 0.72887E-18 -18.1373 0.98165E+00 -0.0080 28 H2,aq 0.50573E-44 -44.2961 0.50571E-44 -44.2961 0.99996E+00 0.0000 29 NH3,aq 0.40432E-82 -82.3933 0.40430E-82 -82.3933 0.99996E+00 0.0000 30 HNO2,aq 0.18492E-37 -37.7330 0.18492E-37 -37.7330 0.10000E+01 0.0000 31 NO2- 0.52727E-34 -34.2780 0.51759E-34 -34.2860 0.98165E+00 -0.0080 32 HNO3,aq 0.14591E-28 -28.8359 0.14591E-28 -28.8359 0.10000E+01 0.0000 33 NO3- 0.14000E-20 -20.8539 0.13743E-20 -20.8619 0.98165E+00 -0.0080 34 N2,aq 0.17527E-53 -53.7563 0.17527E-53 -53.7563 0.99996E+00 0.0000 35 N2O2-2 0.34173-103 -103.4663 0.33480-103 -103.4752 0.97971E+00 -0.0089 36 HN2O2- 0.71752E-99 -99.1442 0.70435E-99 -99.1522 0.98165E+00 -0.0080 37 H2N2O2,aq 0.16323E-98 -98.7872 0.16323E-98 -98.7872 0.10000E+01 0.0000 38 N2H5+ 0.87811-154 -154.0565 0.86200-154 -154.0645 0.98165E+00 -0.0080 39 N2H6+2 0.17596-161 -161.7546 0.17239-161 -161.7635 0.97971E+00 -0.0089 40 NaCl,aq 0.16103E-14 -14.7931 0.16103E-14 -14.7931 0.10000E+01 0.0000 41 NaF,aq 0.96779E-15 -15.0142 0.96779E-15 -15.0142 0.10000E+01 0.0000 42 NaOH,aq 0.28771E-14 -14.5410 0.28771E-14 -14.5410 0.10000E+01 0.0000 43 O2,aq 0.24000E-03 -3.6198 0.23999E-03 -3.6198 0.99996E+00 0.0000 44 OH- 0.48422E-07 -7.3150 0.47533E-07 -7.3230 0.98165E+00 -0.0080 45 HO2- 0.36403E-23 -23.4389 0.35735E-23 -23.4469 0.98165E+00 -0.0080 46 H2O2,aq 0.36736E-18 -18.4349 0.36736E-18 -18.4349 0.10000E+01 0.0000 47 H2S,aq 0.15658-157 -157.8053 0.15657-157 -157.8053 0.99996E+00 0.0000 53 SO2,aq 0.34198E-69 -69.4660 0.34198E-69 -69.4660 0.10000E+01 0.0000 54 SO3-2 0.66358E-65 -65.1781 0.65012E-65 -65.1870 0.97971E+00 -0.0089 55 HSO3- 0.22596E-64 -64.6460 0.22182E-64 -64.6540 0.98165E+00 -0.0080 56 HSO4- 0.87525E-25 -25.0579 0.85919E-25 -25.0659 0.98165E+00 -0.0080 57 HSO5- 0.73490E-46 -46.1338 0.72142E-46 -46.1418 0.98165E+00 -0.0080 58 S2O3-2 0.41754-180 -180.3793 0.40907-180 -180.3882 0.97971E+00 -0.0089 59 HS2O3- 0.42938-185 -185.3672 0.42150-185 -185.3752 0.98165E+00 -0.0080 60 H2S2O3,aq 0.34658-191 -191.4602 0.34658-191 -191.4602 0.10000E+01 0.0000 61 S2O4-2 0.78126-167 -167.1072 0.76541-167 -167.1161 0.97971E+00 -0.0089 62 HS2O4- 0.51634-171 -171.2871 0.50687-171 -171.2951 0.98165E+00 -0.0080 63 H2S2O4,aq 0.25055-177 -177.6011 0.25055-177 -177.6011 0.10000E+01 0.0000 64 S2O5-2 0.76540-134 -134.1161 0.74987-134 -134.1250 0.97971E+00 -0.0089 65 S2O6-2 0.20370-103 -103.6910 0.19957-103 -103.6999 0.97971E+00 -0.0089 66 S2O8-2 0.40661E-78 -78.3908 0.39836E-78 -78.3997 0.97971E+00 -0.0089 Charge balance for all species = -.3864E-19 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. Reactant consumed: 0.0000000 moles log = -21.1549 Original solution: 0.0000000 g Original solution / Rock added: 0.00 (Water/Rock Ratio), log = 0.0000 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 0.8929E-67 1.0000 0.3083E-01 0.3083E-01 CO2,gas 0.2683E-71 1.0000 0.9265E-06 0.9265E-06 CH4,gas 0.3667-213 1.0000 0.1266-147 0.1266-147 H2,gas 0.1869-106 1.0000 0.6455E-41 0.6455E-41 H2S,gas 0.3711-222 1.0000 0.1281-156 0.1281-156 S2,gas 0.4447-322 1.0000 0.1540-256 0.1540-256 CO,gas 0.5414-116 1.0000 0.1870E-50 0.1870E-50 NO2,gas 0.3057-100 1.0000 0.1056E-34 0.1056E-34 SO3,gas 0.7411-123 1.0000 0.2559E-57 0.2559E-57 O2,gas 0.1000E+01 1.0000 0.3453E+66 0.3453E+66 NH3,gas 0.1869-149 1.0000 0.6452E-84 0.6452E-84 N2,gas 0.7807-116 1.0000 0.2696E-50 0.2696E-50 SO2,gas 0.6696-135 1.0000 0.2312E-69 0.2312E-69 HF,gas 0.4684E-80 1.0000 0.1617E-14 0.1617E-14 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 -13.85 -6.03 -2.011 0.82309E+04 -6.033 3 CH4,gas 2.98 -144.92 -147.90 -36.974 0.20177E+06 -147.898 4 H2,gas 8.42 -32.77 -41.19 -23.537 0.56195E+05 -41.190 5 H2S,gas -7.90 -164.79 -156.89 -78.446 0.21405E+06 -156.892 6 S2,gas -7.24 -264.05 -256.81 -39.510 0.35037E+06 -256.812 7 CO,gas 4.11 -46.61 -50.73 -15.609 0.69208E+05 -50.728 8 NO2,gas 76.52 41.54 -34.98 -7.995 0.47718E+05 -34.976 9 SO3,gas 23.88 -33.72 -57.59 -14.398 0.78572E+05 -57.592 10 O2,gas 66.26 65.54 -0.72 -0.480 0.98202E+03 -0.720 11 NH3,gas 11.04 -73.15 -84.19 -42.095 0.11486E+06 -84.190 12 N2,gas 2.57 -48.00 -50.57 -6.525 0.68991E+05 -50.569 13 SO2,gas 3.15 -66.49 -69.64 -18.570 0.95003E+05 -69.636 14 HF,gas 1.11 -13.68 -14.79 -7.396 0.20179E+05 -14.791 15 HCl,gas 6.31 -13.68 -19.99 -9.993 0.27267E+05 -19.986 Calculations done for 25.0000 Deg. C; 1.0000 bar Next reactant titration increment of: 0.0000000 MOLES Current total amount of reactant added: 0.0000000 MOLES New total amount of reactant added: 0.0000000 MOLES Solids and gases carried Charge balance check after fractionation or titration: TBAL = -.1195E-19 ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ Merapi workup for air saturated water (ASW). Oxygen part already done in Solveq. Now add N2 ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ Number of loops used = 6 Loop limit = 400 Temperature = 25.00 C Pressure = 1.00 bar Mixer fraction = 0.0000000 Water: Moles liquid = 0.5551E+02 kg liquid = 0.1000E+01 Moles total = 0.5551E+02 kg total = 0.1000E+01 Activity = 1.0000 Stoichiometric ionic strength = .1802000E-03 Osmotic coef. = 0.9898 True ionic strength = .3168084E-06 Chg. balance for total moles = -.1195E-19 Max. difference allowed = 0.1000E-10 Log Log Log Species(n) Molality Molality Activity Activity Gamma Gamma 1 H+ 0.21679E-06 -6.6640 0.21282E-06 -6.6720 0.98165E+00 -0.0080 2 H2O 0.10000E+01 0.0000 0.10000E+01 0.0000 3 Cl- 0.10000E-06 -7.0000 0.98165E-07 -7.0080 0.98165E+00 -0.0080 4 SO4-- 0.43248E-20 -20.3640 0.42371E-20 -20.3729 0.97971E+00 -0.0089 5 HCO3- 0.68372E-07 -7.1651 0.67118E-07 -7.1732 0.98165E+00 -0.0080 6 HS- 0.77042-158 -158.1133 0.75628-158 -158.1213 0.98165E+00 -0.0080 7 Na+ 0.10000E-06 -7.0000 0.98165E-07 -7.0080 0.98165E+00 -0.0080 8 F- 0.99969E-07 -7.0001 0.98135E-07 -7.0082 0.98165E+00 -0.0080 9 NH4+ 0.17448E-79 -79.7583 0.17128E-79 -79.7663 0.98165E+00 -0.0080 10 CH4,aq 0.15328-150 -150.8145 0.15327-150 -150.8145 0.99996E+00 0.0000 15 CO,aq 0.18397E-53 -53.7353 0.18397E-53 -53.7353 0.10000E+01 0.0000 16 CO2,aq 0.31613E-07 -7.5001 0.31611E-07 -7.5002 0.99996E+00 0.0000 17 CO3-2 0.15092E-10 -10.8213 0.14785E-10 -10.8302 0.97971E+00 -0.0089 18 HCN,aq 0.65379-141 -141.1846 0.65379-141 -141.1846 0.10000E+01 0.0000 19 CN- 0.18175-143 -143.7405 0.17842-143 -143.7486 0.98165E+00 -0.0080 20 OCN- 0.14540E-96 -96.8374 0.14274E-96 -96.8455 0.98165E+00 -0.0080 22 HCl,aq 0.40734E-14 -14.3900 0.40734E-14 -14.3900 0.10000E+01 0.0000 23 HClO,aq 0.90794E-23 -23.0419 0.90794E-23 -23.0419 0.10000E+01 0.0000 24 ClO- 0.12249E-23 -23.9119 0.12024E-23 -23.9199 0.98165E+00 -0.0080 25 HClO2,aq 0.37252E-38 -38.4288 0.37252E-38 -38.4288 0.10000E+01 0.0000 26 HF,aq 0.30749E-10 -10.5122 0.30749E-10 -10.5122 0.10000E+01 0.0000 27 HF2- 0.74250E-18 -18.1293 0.72887E-18 -18.1373 0.98165E+00 -0.0080 28 H2,aq 0.50573E-44 -44.2961 0.50571E-44 -44.2961 0.99996E+00 0.0000 29 NH3,aq 0.46208E-82 -82.3353 0.46206E-82 -82.3353 0.99996E+00 0.0000 30 HNO2,aq 0.21134E-37 -37.6750 0.21134E-37 -37.6750 0.10000E+01 0.0000 31 NO2- 0.60259E-34 -34.2200 0.59154E-34 -34.2280 0.98165E+00 -0.0080 32 HNO3,aq 0.16676E-28 -28.7779 0.16676E-28 -28.7779 0.10000E+01 0.0000 33 NO3- 0.16000E-20 -20.7959 0.15706E-20 -20.8039 0.98165E+00 -0.0080 34 N2,aq 0.22893E-53 -53.6403 0.22892E-53 -53.6403 0.99996E+00 0.0000 35 N2O2-2 0.44634-103 -103.3503 0.43729-103 -103.3592 0.97971E+00 -0.0089 36 HN2O2- 0.93716E-99 -99.0282 0.91997E-99 -99.0362 0.98165E+00 -0.0080 37 H2N2O2,aq 0.21319E-98 -98.6712 0.21319E-98 -98.6712 0.10000E+01 0.0000 38 N2H5+ 0.11469-153 -153.9405 0.11259-153 -153.9485 0.98165E+00 -0.0080 39 N2H6+2 0.22982-161 -161.6386 0.22516-161 -161.6475 0.97971E+00 -0.0089 40 NaCl,aq 0.16103E-14 -14.7931 0.16103E-14 -14.7931 0.10000E+01 0.0000 41 NaF,aq 0.96779E-15 -15.0142 0.96779E-15 -15.0142 0.10000E+01 0.0000 42 NaOH,aq 0.28771E-14 -14.5410 0.28771E-14 -14.5410 0.10000E+01 0.0000 43 O2,aq 0.24000E-03 -3.6198 0.23999E-03 -3.6198 0.99996E+00 0.0000 44 OH- 0.48422E-07 -7.3150 0.47533E-07 -7.3230 0.98165E+00 -0.0080 45 HO2- 0.36403E-23 -23.4389 0.35735E-23 -23.4469 0.98165E+00 -0.0080 46 H2O2,aq 0.36736E-18 -18.4349 0.36736E-18 -18.4349 0.10000E+01 0.0000 47 H2S,aq 0.15657-157 -157.8053 0.15656-157 -157.8053 0.99996E+00 0.0000 53 SO2,aq 0.34196E-69 -69.4660 0.34196E-69 -69.4660 0.10000E+01 0.0000 54 SO3-2 0.66354E-65 -65.1781 0.65008E-65 -65.1870 0.97971E+00 -0.0089 55 HSO3- 0.22595E-64 -64.6460 0.22181E-64 -64.6540 0.98165E+00 -0.0080 56 HSO4- 0.87521E-25 -25.0579 0.85915E-25 -25.0659 0.98165E+00 -0.0080 57 HSO5- 0.73486E-46 -46.1338 0.72138E-46 -46.1418 0.98165E+00 -0.0080 58 S2O3-2 0.41750-180 -180.3793 0.40903-180 -180.3882 0.97971E+00 -0.0089 59 HS2O3- 0.42934-185 -185.3672 0.42146-185 -185.3752 0.98165E+00 -0.0080 60 H2S2O3,aq 0.34654-191 -191.4602 0.34654-191 -191.4602 0.10000E+01 0.0000 61 S2O4-2 0.78118-167 -167.1073 0.76533-167 -167.1162 0.97971E+00 -0.0089 62 HS2O4- 0.51629-171 -171.2871 0.50682-171 -171.2951 0.98165E+00 -0.0080 63 H2S2O4,aq 0.25053-177 -177.6011 0.25053-177 -177.6011 0.10000E+01 0.0000 64 S2O5-2 0.76532-134 -134.1162 0.74980-134 -134.1251 0.97971E+00 -0.0089 65 S2O6-2 0.20368-103 -103.6911 0.19954-103 -103.7000 0.97971E+00 -0.0089 66 S2O8-2 0.40657E-78 -78.3909 0.39832E-78 -78.3998 0.97971E+00 -0.0089 Charge balance for all species = -.2744E-19 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. Reactant consumed: 0.0000000 moles log = -21.0969 Original solution: 0.0000000 g Original solution / Rock added: 0.00 (Water/Rock Ratio), log = 0.0000 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 0.8929E-67 1.0000 0.3083E-01 0.3083E-01 CO2,gas 0.2683E-71 1.0000 0.9265E-06 0.9265E-06 CH4,gas 0.3667-213 1.0000 0.1266-147 0.1266-147 H2,gas 0.1869-106 1.0000 0.6455E-41 0.6455E-41 H2S,gas 0.3711-222 1.0000 0.1281-156 0.1281-156 S2,gas 0.4447-322 1.0000 0.1540-256 0.1540-256 CO,gas 0.5414-116 1.0000 0.1870E-50 0.1870E-50 NO2,gas 0.3494-100 1.0000 0.1207E-34 0.1207E-34 SO3,gas 0.7411-123 1.0000 0.2559E-57 0.2559E-57 O2,gas 0.1000E+01 1.0000 0.3453E+66 0.3453E+66 NH3,gas 0.2136-149 1.0000 0.7374E-84 0.7374E-84 N2,gas 0.1020-115 1.0000 0.3521E-50 0.3521E-50 SO2,gas 0.6695-135 1.0000 0.2312E-69 0.2312E-69 HF,gas 0.4684E-80 1.0000 0.1617E-14 0.1617E-14 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 -13.85 -6.03 -2.011 0.82309E+04 -6.033 3 CH4,gas 2.98 -144.92 -147.90 -36.974 0.20177E+06 -147.898 4 H2,gas 8.42 -32.77 -41.19 -23.537 0.56195E+05 -41.190 5 H2S,gas -7.90 -164.79 -156.89 -78.446 0.21405E+06 -156.892 6 S2,gas -7.24 -264.05 -256.81 -39.510 0.35037E+06 -256.812 7 CO,gas 4.11 -46.61 -50.73 -15.609 0.69208E+05 -50.728 8 NO2,gas 76.52 41.60 -34.92 -7.981 0.47639E+05 -34.918 9 SO3,gas 23.88 -33.72 -57.59 -14.398 0.78572E+05 -57.592 10 O2,gas 66.26 65.54 -0.72 -0.480 0.98202E+03 -0.720 11 NH3,gas 11.04 -73.09 -84.13 -42.066 0.11478E+06 -84.132 12 N2,gas 2.57 -47.88 -50.45 -6.510 0.68833E+05 -50.453 13 SO2,gas 3.15 -66.49 -69.64 -18.570 0.95003E+05 -69.636 14 HF,gas 1.11 -13.68 -14.79 -7.396 0.20179E+05 -14.791 15 HCl,gas 6.31 -13.68 -19.99 -9.993 0.27267E+05 -19.986 Calculations done for 25.0000 Deg. C; 1.0000 bar Next reactant titration increment of: 0.0000000 MOLES Current total amount of reactant added: 0.0000000 MOLES New total amount of reactant added: 0.0000000 MOLES Solids and gases carried Charge balance check after fractionation or titration: TBAL = -.1175E-19 ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ Merapi workup for air saturated water (ASW). Oxygen part already done in Solveq. Now add N2 ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ Number of loops used = 6 Loop limit = 400 Temperature = 25.00 C Pressure = 1.00 bar Mixer fraction = 0.0000000 Water: Moles liquid = 0.5551E+02 kg liquid = 0.1000E+01 Moles total = 0.5551E+02 kg total = 0.1000E+01 Activity = 1.0000 Stoichiometric ionic strength = .1802000E-03 Osmotic coef. = 0.9898 True ionic strength = .3168084E-06 Chg. balance for total moles = -.1175E-19 Max. difference allowed = 0.1000E-10 Log Log Log Species(n) Molality Molality Activity Activity Gamma Gamma 1 H+ 0.21679E-06 -6.6640 0.21282E-06 -6.6720 0.98165E+00 -0.0080 2 H2O 0.10000E+01 0.0000 0.10000E+01 0.0000 3 Cl- 0.10000E-06 -7.0000 0.98165E-07 -7.0080 0.98165E+00 -0.0080 4 SO4-- 0.43246E-20 -20.3641 0.42368E-20 -20.3730 0.97971E+00 -0.0089 5 HCO3- 0.68372E-07 -7.1651 0.67118E-07 -7.1732 0.98165E+00 -0.0080 6 HS- 0.77038-158 -158.1133 0.75624-158 -158.1213 0.98165E+00 -0.0080 7 Na+ 0.10000E-06 -7.0000 0.98165E-07 -7.0080 0.98165E+00 -0.0080 8 F- 0.99969E-07 -7.0001 0.98135E-07 -7.0082 0.98165E+00 -0.0080 9 NH4+ 0.19629E-79 -79.7071 0.19269E-79 -79.7151 0.98165E+00 -0.0080 10 CH4,aq 0.15328-150 -150.8145 0.15327-150 -150.8145 0.99996E+00 0.0000 15 CO,aq 0.18397E-53 -53.7353 0.18397E-53 -53.7353 0.10000E+01 0.0000 16 CO2,aq 0.31613E-07 -7.5001 0.31611E-07 -7.5002 0.99996E+00 0.0000 17 CO3-2 0.15092E-10 -10.8213 0.14785E-10 -10.8302 0.97971E+00 -0.0089 18 HCN,aq 0.73552-141 -141.1334 0.73552-141 -141.1334 0.10000E+01 0.0000 19 CN- 0.20447-143 -143.6894 0.20072-143 -143.6974 0.98165E+00 -0.0080 20 OCN- 0.16358E-96 -96.7863 0.16058E-96 -96.7943 0.98165E+00 -0.0080 22 HCl,aq 0.40734E-14 -14.3900 0.40734E-14 -14.3900 0.10000E+01 0.0000 23 HClO,aq 0.90794E-23 -23.0419 0.90794E-23 -23.0419 0.10000E+01 0.0000 24 ClO- 0.12249E-23 -23.9119 0.12024E-23 -23.9199 0.98165E+00 -0.0080 25 HClO2,aq 0.37252E-38 -38.4288 0.37252E-38 -38.4288 0.10000E+01 0.0000 26 HF,aq 0.30749E-10 -10.5122 0.30749E-10 -10.5122 0.10000E+01 0.0000 27 HF2- 0.74250E-18 -18.1293 0.72887E-18 -18.1373 0.98165E+00 -0.0080 28 H2,aq 0.50573E-44 -44.2961 0.50571E-44 -44.2961 0.99996E+00 0.0000 29 NH3,aq 0.51984E-82 -82.2841 0.51981E-82 -82.2842 0.99996E+00 0.0000 30 HNO2,aq 0.23776E-37 -37.6239 0.23776E-37 -37.6239 0.10000E+01 0.0000 31 NO2- 0.67792E-34 -34.1688 0.66548E-34 -34.1769 0.98165E+00 -0.0080 32 HNO3,aq 0.18760E-28 -28.7268 0.18760E-28 -28.7268 0.10000E+01 0.0000 33 NO3- 0.18000E-20 -20.7447 0.17670E-20 -20.7528 0.98165E+00 -0.0080 34 N2,aq 0.28974E-53 -53.5380 0.28972E-53 -53.5380 0.99996E+00 0.0000 35 N2O2-2 0.56491-103 -103.2480 0.55344-103 -103.2569 0.97971E+00 -0.0089 36 HN2O2- 0.11861E-98 -98.9259 0.11643E-98 -98.9339 0.98165E+00 -0.0080 37 H2N2O2,aq 0.26982E-98 -98.5689 0.26982E-98 -98.5689 0.10000E+01 0.0000 38 N2H5+ 0.14516-153 -153.8382 0.14249-153 -153.8462 0.98165E+00 -0.0080 39 N2H6+2 0.29087-161 -161.5363 0.28497-161 -161.5452 0.97971E+00 -0.0089 40 NaCl,aq 0.16103E-14 -14.7931 0.16103E-14 -14.7931 0.10000E+01 0.0000 41 NaF,aq 0.96779E-15 -15.0142 0.96779E-15 -15.0142 0.10000E+01 0.0000 42 NaOH,aq 0.28771E-14 -14.5410 0.28771E-14 -14.5410 0.10000E+01 0.0000 43 O2,aq 0.24000E-03 -3.6198 0.23999E-03 -3.6198 0.99996E+00 0.0000 44 OH- 0.48422E-07 -7.3150 0.47533E-07 -7.3230 0.98165E+00 -0.0080 45 HO2- 0.36403E-23 -23.4389 0.35735E-23 -23.4469 0.98165E+00 -0.0080 46 H2O2,aq 0.36736E-18 -18.4349 0.36736E-18 -18.4349 0.10000E+01 0.0000 47 H2S,aq 0.15656-157 -157.8053 0.15655-157 -157.8053 0.99996E+00 0.0000 53 SO2,aq 0.34194E-69 -69.4660 0.34194E-69 -69.4660 0.10000E+01 0.0000 54 SO3-2 0.66351E-65 -65.1782 0.65005E-65 -65.1871 0.97971E+00 -0.0089 55 HSO3- 0.22594E-64 -64.6460 0.22179E-64 -64.6540 0.98165E+00 -0.0080 56 HSO4- 0.87516E-25 -25.0579 0.85911E-25 -25.0660 0.98165E+00 -0.0080 57 HSO5- 0.73483E-46 -46.1338 0.72134E-46 -46.1419 0.98165E+00 -0.0080 58 S2O3-2 0.41745-180 -180.3794 0.40898-180 -180.3883 0.97971E+00 -0.0089 59 HS2O3- 0.42929-185 -185.3672 0.42142-185 -185.3753 0.98165E+00 -0.0080 60 H2S2O3,aq 0.34651-191 -191.4603 0.34651-191 -191.4603 0.10000E+01 0.0000 61 S2O4-2 0.78110-167 -167.1073 0.76525-167 -167.1162 0.97971E+00 -0.0089 62 HS2O4- 0.51624-171 -171.2872 0.50677-171 -171.2952 0.98165E+00 -0.0080 63 H2S2O4,aq 0.25050-177 -177.6012 0.25050-177 -177.6012 0.10000E+01 0.0000 64 S2O5-2 0.76525-134 -134.1162 0.74972-134 -134.1251 0.97971E+00 -0.0089 65 S2O6-2 0.20366-103 -103.6911 0.19952-103 -103.7000 0.97971E+00 -0.0089 66 S2O8-2 0.40653E-78 -78.3909 0.39828E-78 -78.3998 0.97971E+00 -0.0089 Charge balance for all species = -.3031E-19 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. Reactant consumed: 0.0000000 moles log = -21.0458 Original solution: 0.0000000 g Original solution / Rock added: 0.00 (Water/Rock Ratio), log = 0.0000 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 0.8929E-67 1.0000 0.3083E-01 0.3083E-01 CO2,gas 0.2683E-71 1.0000 0.9265E-06 0.9265E-06 CH4,gas 0.3667-213 1.0000 0.1266-147 0.1266-147 H2,gas 0.1869-106 1.0000 0.6455E-41 0.6455E-41 H2S,gas 0.3711-222 1.0000 0.1281-156 0.1281-156 S2,gas 0.4447-322 1.0000 0.1540-256 0.1540-256 CO,gas 0.5414-116 1.0000 0.1870E-50 0.1870E-50 NO2,gas 0.3931-100 1.0000 0.1357E-34 0.1357E-34 SO3,gas 0.7411-123 1.0000 0.2559E-57 0.2559E-57 O2,gas 0.1000E+01 1.0000 0.3453E+66 0.3453E+66 NH3,gas 0.2402-149 1.0000 0.8296E-84 0.8296E-84 N2,gas 0.1291-115 1.0000 0.4456E-50 0.4456E-50 SO2,gas 0.6695-135 1.0000 0.2312E-69 0.2312E-69 HF,gas 0.4684E-80 1.0000 0.1617E-14 0.1617E-14 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 -13.85 -6.03 -2.011 0.82309E+04 -6.033 3 CH4,gas 2.98 -144.92 -147.90 -36.974 0.20177E+06 -147.898 4 H2,gas 8.42 -32.77 -41.19 -23.537 0.56195E+05 -41.190 5 H2S,gas -7.90 -164.79 -156.89 -78.446 0.21405E+06 -156.892 6 S2,gas -7.24 -264.05 -256.81 -39.510 0.35037E+06 -256.812 7 CO,gas 4.11 -46.61 -50.73 -15.609 0.69208E+05 -50.728 8 NO2,gas 76.52 41.65 -34.87 -7.970 0.47569E+05 -34.867 9 SO3,gas 23.88 -33.72 -57.59 -14.398 0.78572E+05 -57.592 10 O2,gas 66.26 65.54 -0.72 -0.480 0.98202E+03 -0.720 11 NH3,gas 11.04 -73.04 -84.08 -42.041 0.11471E+06 -84.081 12 N2,gas 2.57 -47.78 -50.35 -6.497 0.68693E+05 -50.351 13 SO2,gas 3.15 -66.49 -69.64 -18.570 0.95003E+05 -69.636 14 HF,gas 1.11 -13.68 -14.79 -7.396 0.20179E+05 -14.791 15 HCl,gas 6.31 -13.68 -19.99 -9.993 0.27267E+05 -19.986 Calculations done for 25.0000 Deg. C; 1.0000 bar Next reactant titration increment of: 0.0000000 MOLES Current total amount of reactant added: 0.0000000 MOLES New total amount of reactant added: 0.0000000 MOLES Solids and gases carried Charge balance check after fractionation or titration: TBAL = -.1155E-19 ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ Merapi workup for air saturated water (ASW). Oxygen part already done in Solveq. Now add N2 ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ Number of loops used = 6 Loop limit = 400 Temperature = 25.00 C Pressure = 1.00 bar Mixer fraction = 0.0000000 Water: Moles liquid = 0.5551E+02 kg liquid = 0.1000E+01 Moles total = 0.5551E+02 kg total = 0.1000E+01 Activity = 1.0000 Stoichiometric ionic strength = .1802000E-03 Osmotic coef. = 0.9898 True ionic strength = .3168084E-06 Chg. balance for total moles = -.1155E-19 Max. difference allowed = 0.1000E-10 Log Log Log Species(n) Molality Molality Activity Activity Gamma Gamma 1 H+ 0.21679E-06 -6.6640 0.21282E-06 -6.6720 0.98165E+00 -0.0080 2 H2O 0.10000E+01 0.0000 0.10000E+01 0.0000 3 Cl- 0.10000E-06 -7.0000 0.98165E-07 -7.0080 0.98165E+00 -0.0080 4 SO4-- 0.43244E-20 -20.3641 0.42366E-20 -20.3730 0.97971E+00 -0.0089 5 HCO3- 0.68372E-07 -7.1651 0.67118E-07 -7.1732 0.98165E+00 -0.0080 6 HS- 0.77034-158 -158.1133 0.75620-158 -158.1214 0.98165E+00 -0.0080 7 Na+ 0.10000E-06 -7.0000 0.98165E-07 -7.0080 0.98165E+00 -0.0080 8 F- 0.99969E-07 -7.0001 0.98135E-07 -7.0082 0.98165E+00 -0.0080 9 NH4+ 0.21810E-79 -79.6613 0.21410E-79 -79.6694 0.98165E+00 -0.0080 10 CH4,aq 0.15328-150 -150.8145 0.15327-150 -150.8145 0.99996E+00 0.0000 15 CO,aq 0.18397E-53 -53.7353 0.18397E-53 -53.7353 0.10000E+01 0.0000 16 CO2,aq 0.31613E-07 -7.5001 0.31611E-07 -7.5002 0.99996E+00 0.0000 17 CO3-2 0.15092E-10 -10.8213 0.14785E-10 -10.8302 0.97971E+00 -0.0089 18 HCN,aq 0.81724-141 -141.0876 0.81724-141 -141.0876 0.10000E+01 0.0000 19 CN- 0.22719-143 -143.6436 0.22302-143 -143.6517 0.98165E+00 -0.0080 20 OCN- 0.18175E-96 -96.7405 0.17842E-96 -96.7486 0.98165E+00 -0.0080 22 HCl,aq 0.40734E-14 -14.3900 0.40734E-14 -14.3900 0.10000E+01 0.0000 23 HClO,aq 0.90794E-23 -23.0419 0.90794E-23 -23.0419 0.10000E+01 0.0000 24 ClO- 0.12249E-23 -23.9119 0.12024E-23 -23.9199 0.98165E+00 -0.0080 25 HClO2,aq 0.37252E-38 -38.4288 0.37252E-38 -38.4288 0.10000E+01 0.0000 26 HF,aq 0.30749E-10 -10.5122 0.30749E-10 -10.5122 0.10000E+01 0.0000 27 HF2- 0.74250E-18 -18.1293 0.72887E-18 -18.1373 0.98165E+00 -0.0080 28 H2,aq 0.50573E-44 -44.2961 0.50571E-44 -44.2961 0.99996E+00 0.0000 29 NH3,aq 0.57760E-82 -82.2384 0.57757E-82 -82.2384 0.99996E+00 0.0000 30 HNO2,aq 0.26418E-37 -37.5781 0.26418E-37 -37.5781 0.10000E+01 0.0000 31 NO2- 0.75324E-34 -34.1231 0.73942E-34 -34.1311 0.98165E+00 -0.0080 32 HNO3,aq 0.20844E-28 -28.6810 0.20844E-28 -28.6810 0.10000E+01 0.0000 33 NO3- 0.20000E-20 -20.6990 0.19633E-20 -20.7070 0.98165E+00 -0.0080 34 N2,aq 0.35770E-53 -53.4465 0.35768E-53 -53.4465 0.99996E+00 0.0000 35 N2O2-2 0.69741-103 -103.1565 0.68326-103 -103.1654 0.97971E+00 -0.0089 36 HN2O2- 0.14643E-98 -98.8344 0.14374E-98 -98.8424 0.98165E+00 -0.0080 37 H2N2O2,aq 0.33312E-98 -98.4774 0.33312E-98 -98.4774 0.10000E+01 0.0000 38 N2H5+ 0.17921-153 -153.7466 0.17592-153 -153.7547 0.98165E+00 -0.0080 39 N2H6+2 0.35910-161 -161.4448 0.35181-161 -161.4537 0.97971E+00 -0.0089 40 NaCl,aq 0.16103E-14 -14.7931 0.16103E-14 -14.7931 0.10000E+01 0.0000 41 NaF,aq 0.96779E-15 -15.0142 0.96779E-15 -15.0142 0.10000E+01 0.0000 42 NaOH,aq 0.28771E-14 -14.5410 0.28771E-14 -14.5410 0.10000E+01 0.0000 43 O2,aq 0.24000E-03 -3.6198 0.23999E-03 -3.6198 0.99996E+00 0.0000 44 OH- 0.48422E-07 -7.3150 0.47533E-07 -7.3230 0.98165E+00 -0.0080 45 HO2- 0.36403E-23 -23.4389 0.35735E-23 -23.4469 0.98165E+00 -0.0080 46 H2O2,aq 0.36736E-18 -18.4349 0.36736E-18 -18.4349 0.10000E+01 0.0000 47 H2S,aq 0.15655-157 -157.8053 0.15655-157 -157.8054 0.99996E+00 0.0000 53 SO2,aq 0.34193E-69 -69.4661 0.34193E-69 -69.4661 0.10000E+01 0.0000 54 SO3-2 0.66348E-65 -65.1782 0.65002E-65 -65.1871 0.97971E+00 -0.0089 55 HSO3- 0.22593E-64 -64.6460 0.22178E-64 -64.6541 0.98165E+00 -0.0080 56 HSO4- 0.87512E-25 -25.0579 0.85906E-25 -25.0660 0.98165E+00 -0.0080 57 HSO5- 0.73479E-46 -46.1338 0.72131E-46 -46.1419 0.98165E+00 -0.0080 58 S2O3-2 0.41741-180 -180.3794 0.40894-180 -180.3883 0.97971E+00 -0.0089 59 HS2O3- 0.42925-185 -185.3673 0.42137-185 -185.3753 0.98165E+00 -0.0080 60 H2S2O3,aq 0.34647-191 -191.4603 0.34647-191 -191.4603 0.10000E+01 0.0000 61 S2O4-2 0.78102-167 -167.1073 0.76517-167 -167.1162 0.97971E+00 -0.0089 62 HS2O4- 0.51619-171 -171.2872 0.50671-171 -171.2952 0.98165E+00 -0.0080 63 H2S2O4,aq 0.25048-177 -177.6012 0.25048-177 -177.6012 0.10000E+01 0.0000 64 S2O5-2 0.76517-134 -134.1162 0.74965-134 -134.1251 0.97971E+00 -0.0089 65 S2O6-2 0.20364-103 -103.6911 0.19950-103 -103.7000 0.97971E+00 -0.0089 66 S2O8-2 0.40649E-78 -78.3910 0.39824E-78 -78.3999 0.97971E+00 -0.0089 Charge balance for all species = -.1724E-19 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. Reactant consumed: 0.0000000 moles log = -21.0000 Original solution: 0.0000000 g Original solution / Rock added: 0.00 (Water/Rock Ratio), log = 0.0000 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 0.8929E-67 1.0000 0.3083E-01 0.3083E-01 CO2,gas 0.2683E-71 1.0000 0.9265E-06 0.9265E-06 CH4,gas 0.3667-213 1.0000 0.1266-147 0.1266-147 H2,gas 0.1869-106 1.0000 0.6455E-41 0.6455E-41 H2S,gas 0.3711-222 1.0000 0.1281-156 0.1281-156 S2,gas 0.4447-322 1.0000 0.1540-256 0.1540-256 CO,gas 0.5414-116 1.0000 0.1870E-50 0.1870E-50 NO2,gas 0.4368-100 1.0000 0.1508E-34 0.1508E-34 SO3,gas 0.7410-123 1.0000 0.2559E-57 0.2559E-57 O2,gas 0.1000E+01 1.0000 0.3453E+66 0.3453E+66 NH3,gas 0.2669-149 1.0000 0.9217E-84 0.9217E-84 N2,gas 0.1593-115 1.0000 0.5502E-50 0.5502E-50 SO2,gas 0.6695-135 1.0000 0.2312E-69 0.2312E-69 HF,gas 0.4684E-80 1.0000 0.1617E-14 0.1617E-14 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 -13.85 -6.03 -2.011 0.82309E+04 -6.033 3 CH4,gas 2.98 -144.92 -147.90 -36.974 0.20177E+06 -147.898 4 H2,gas 8.42 -32.77 -41.19 -23.537 0.56195E+05 -41.190 5 H2S,gas -7.90 -164.79 -156.89 -78.446 0.21405E+06 -156.892 6 S2,gas -7.24 -264.05 -256.81 -39.510 0.35037E+06 -256.813 7 CO,gas 4.11 -46.61 -50.73 -15.609 0.69208E+05 -50.728 8 NO2,gas 76.52 41.69 -34.82 -7.959 0.47507E+05 -34.822 9 SO3,gas 23.88 -33.72 -57.59 -14.398 0.78572E+05 -57.592 10 O2,gas 66.26 65.54 -0.72 -0.480 0.98202E+03 -0.720 11 NH3,gas 11.04 -73.00 -84.04 -42.018 0.11465E+06 -84.035 12 N2,gas 2.57 -47.69 -50.26 -6.485 0.68568E+05 -50.260 13 SO2,gas 3.15 -66.49 -69.64 -18.570 0.95003E+05 -69.636 14 HF,gas 1.11 -13.68 -14.79 -7.396 0.20179E+05 -14.791 15 HCl,gas 6.31 -13.68 -19.99 -9.993 0.27267E+05 -19.986 Calculations done for 25.0000 Deg. C; 1.0000 bar Next reactant titration increment of: 0.0000000 MOLES Current total amount of reactant added: 0.0000000 MOLES New total amount of reactant added: 0.0000000 MOLES Solids and gases carried Charge balance check after fractionation or titration: TBAL = -.1135E-19 ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ Merapi workup for air saturated water (ASW). Oxygen part already done in Solveq. Now add N2 ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ Number of loops used = 6 Loop limit = 400 Temperature = 25.00 C Pressure = 1.00 bar Mixer fraction = 0.0000000 Water: Moles liquid = 0.5551E+02 kg liquid = 0.1000E+01 Moles total = 0.5551E+02 kg total = 0.1000E+01 Activity = 1.0000 Stoichiometric ionic strength = .1802000E-03 Osmotic coef. = 0.9898 True ionic strength = .3168084E-06 Chg. balance for total moles = -.1135E-19 Max. difference allowed = 0.1000E-10 Log Log Log Species(n) Molality Molality Activity Activity Gamma Gamma 1 H+ 0.21679E-06 -6.6640 0.21282E-06 -6.6720 0.98165E+00 -0.0080 2 H2O 0.10000E+01 0.0000 0.10000E+01 0.0000 3 Cl- 0.10000E-06 -7.0000 0.98165E-07 -7.0080 0.98165E+00 -0.0080 4 SO4-- 0.43241E-20 -20.3641 0.42364E-20 -20.3730 0.97971E+00 -0.0089 5 HCO3- 0.68372E-07 -7.1651 0.67118E-07 -7.1732 0.98165E+00 -0.0080 6 HS- 0.77030-158 -158.1133 0.75617-158 -158.1214 0.98165E+00 -0.0080 7 Na+ 0.10000E-06 -7.0000 0.98165E-07 -7.0080 0.98165E+00 -0.0080 8 F- 0.99969E-07 -7.0001 0.98135E-07 -7.0082 0.98165E+00 -0.0080 9 NH4+ 0.23991E-79 -79.6200 0.23551E-79 -79.6280 0.98165E+00 -0.0080 10 CH4,aq 0.15328-150 -150.8145 0.15327-150 -150.8145 0.99996E+00 0.0000 15 CO,aq 0.18397E-53 -53.7353 0.18397E-53 -53.7353 0.10000E+01 0.0000 16 CO2,aq 0.31613E-07 -7.5001 0.31611E-07 -7.5002 0.99996E+00 0.0000 17 CO3-2 0.15092E-10 -10.8213 0.14785E-10 -10.8302 0.97971E+00 -0.0089 18 HCN,aq 0.89897-141 -141.0463 0.89897-141 -141.0463 0.10000E+01 0.0000 19 CN- 0.24991-143 -143.6022 0.24532-143 -143.6103 0.98165E+00 -0.0080 20 OCN- 0.19993E-96 -96.6991 0.19626E-96 -96.7072 0.98165E+00 -0.0080 22 HCl,aq 0.40734E-14 -14.3900 0.40734E-14 -14.3900 0.10000E+01 0.0000 23 HClO,aq 0.90794E-23 -23.0419 0.90794E-23 -23.0419 0.10000E+01 0.0000 24 ClO- 0.12249E-23 -23.9119 0.12024E-23 -23.9199 0.98165E+00 -0.0080 25 HClO2,aq 0.37252E-38 -38.4288 0.37252E-38 -38.4288 0.10000E+01 0.0000 26 HF,aq 0.30749E-10 -10.5122 0.30749E-10 -10.5122 0.10000E+01 0.0000 27 HF2- 0.74250E-18 -18.1293 0.72887E-18 -18.1373 0.98165E+00 -0.0080 28 H2,aq 0.50573E-44 -44.2961 0.50571E-44 -44.2961 0.99996E+00 0.0000 29 NH3,aq 0.63535E-82 -82.1970 0.63533E-82 -82.1970 0.99996E+00 0.0000 30 HNO2,aq 0.29059E-37 -37.5367 0.29059E-37 -37.5367 0.10000E+01 0.0000 31 NO2- 0.82856E-34 -34.0817 0.81336E-34 -34.0897 0.98165E+00 -0.0080 32 HNO3,aq 0.22929E-28 -28.6396 0.22929E-28 -28.6396 0.10000E+01 0.0000 33 NO3- 0.22000E-20 -20.6576 0.21596E-20 -20.6656 0.98165E+00 -0.0080 34 N2,aq 0.43282E-53 -53.3637 0.43280E-53 -53.3637 0.99996E+00 0.0000 35 N2O2-2 0.84387-103 -103.0737 0.82675-103 -103.0826 0.97971E+00 -0.0089 36 HN2O2- 0.17718E-98 -98.7516 0.17393E-98 -98.7596 0.98165E+00 -0.0080 37 H2N2O2,aq 0.40307E-98 -98.3946 0.40307E-98 -98.3946 0.10000E+01 0.0000 38 N2H5+ 0.21684-153 -153.6639 0.21286-153 -153.6719 0.98165E+00 -0.0080 39 N2H6+2 0.43451-161 -161.3620 0.42570-161 -161.3709 0.97971E+00 -0.0089 40 NaCl,aq 0.16103E-14 -14.7931 0.16103E-14 -14.7931 0.10000E+01 0.0000 41 NaF,aq 0.96779E-15 -15.0142 0.96779E-15 -15.0142 0.10000E+01 0.0000 42 NaOH,aq 0.28771E-14 -14.5410 0.28771E-14 -14.5410 0.10000E+01 0.0000 43 O2,aq 0.24000E-03 -3.6198 0.23999E-03 -3.6198 0.99996E+00 0.0000 44 OH- 0.48422E-07 -7.3150 0.47533E-07 -7.3230 0.98165E+00 -0.0080 45 HO2- 0.36403E-23 -23.4389 0.35735E-23 -23.4469 0.98165E+00 -0.0080 46 H2O2,aq 0.36736E-18 -18.4349 0.36736E-18 -18.4349 0.10000E+01 0.0000 47 H2S,aq 0.15654-157 -157.8054 0.15654-157 -157.8054 0.99996E+00 0.0000 53 SO2,aq 0.34191E-69 -69.4661 0.34191E-69 -69.4661 0.10000E+01 0.0000 54 SO3-2 0.66344E-65 -65.1782 0.64998E-65 -65.1871 0.97971E+00 -0.0089 55 HSO3- 0.22592E-64 -64.6461 0.22177E-64 -64.6541 0.98165E+00 -0.0080 56 HSO4- 0.87507E-25 -25.0580 0.85902E-25 -25.0660 0.98165E+00 -0.0080 57 HSO5- 0.73475E-46 -46.1339 0.72127E-46 -46.1419 0.98165E+00 -0.0080 58 S2O3-2 0.41737-180 -180.3795 0.40890-180 -180.3884 0.97971E+00 -0.0089 59 HS2O3- 0.42921-185 -185.3673 0.42133-185 -185.3754 0.98165E+00 -0.0080 60 H2S2O3,aq 0.34644-191 -191.4604 0.34644-191 -191.4604 0.10000E+01 0.0000 61 S2O4-2 0.78094-167 -167.1074 0.76510-167 -167.1163 0.97971E+00 -0.0089 62 HS2O4- 0.51613-171 -171.2872 0.50666-171 -171.2953 0.98165E+00 -0.0080 63 H2S2O4,aq 0.25045-177 -177.6013 0.25045-177 -177.6013 0.10000E+01 0.0000 64 S2O5-2 0.76509-134 -134.1163 0.74957-134 -134.1252 0.97971E+00 -0.0089 65 S2O6-2 0.20362-103 -103.6912 0.19948-103 -103.7001 0.97971E+00 -0.0089 66 S2O8-2 0.40645E-78 -78.3910 0.39820E-78 -78.3999 0.97971E+00 -0.0089 Charge balance for all species = -.3421E-19 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. Reactant consumed: 0.0000000 moles log = -20.9586 Original solution: 0.0000000 g Original solution / Rock added: 0.00 (Water/Rock Ratio), log = 0.0000 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 0.8929E-67 1.0000 0.3083E-01 0.3083E-01 CO2,gas 0.2683E-71 1.0000 0.9265E-06 0.9265E-06 CH4,gas 0.3667-213 1.0000 0.1266-147 0.1266-147 H2,gas 0.1869-106 1.0000 0.6455E-41 0.6455E-41 H2S,gas 0.3710-222 1.0000 0.1281-156 0.1281-156 S2,gas 0.4447-322 1.0000 0.1540-256 0.1540-256 CO,gas 0.5414-116 1.0000 0.1870E-50 0.1870E-50 NO2,gas 0.4804-100 1.0000 0.1659E-34 0.1659E-34 SO3,gas 0.7410-123 1.0000 0.2559E-57 0.2559E-57 O2,gas 0.1000E+01 1.0000 0.3453E+66 0.3453E+66 NH3,gas 0.2936-149 1.0000 0.1014E-83 0.1014E-83 N2,gas 0.1928-115 1.0000 0.6657E-50 0.6657E-50 SO2,gas 0.6694-135 1.0000 0.2312E-69 0.2312E-69 HF,gas 0.4684E-80 1.0000 0.1617E-14 0.1617E-14 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 -13.85 -6.03 -2.011 0.82309E+04 -6.033 3 CH4,gas 2.98 -144.92 -147.90 -36.974 0.20177E+06 -147.898 4 H2,gas 8.42 -32.77 -41.19 -23.537 0.56195E+05 -41.190 5 H2S,gas -7.90 -164.79 -156.89 -78.446 0.21405E+06 -156.892 6 S2,gas -7.24 -264.05 -256.81 -39.510 0.35037E+06 -256.813 7 CO,gas 4.11 -46.61 -50.73 -15.609 0.69208E+05 -50.728 8 NO2,gas 76.52 41.74 -34.78 -7.950 0.47450E+05 -34.780 9 SO3,gas 23.88 -33.72 -57.59 -14.398 0.78572E+05 -57.592 10 O2,gas 66.26 65.54 -0.72 -0.480 0.98202E+03 -0.720 11 NH3,gas 11.04 -72.96 -83.99 -41.997 0.11459E+06 -83.994 12 N2,gas 2.57 -47.60 -50.18 -6.474 0.68455E+05 -50.177 13 SO2,gas 3.15 -66.49 -69.64 -18.570 0.95003E+05 -69.636 14 HF,gas 1.11 -13.68 -14.79 -7.396 0.20179E+05 -14.791 15 HCl,gas 6.31 -13.68 -19.99 -9.993 0.27267E+05 -19.986 Calculations done for 25.0000 Deg. C; 1.0000 bar Next reactant titration increment of: 0.0000000 MOLES Current total amount of reactant added: 0.0000000 MOLES New total amount of reactant added: 0.0000000 MOLES Solids and gases carried Charge balance check after fractionation or titration: TBAL = -.1115E-19 ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ Merapi workup for air saturated water (ASW). Oxygen part already done in Solveq. Now add N2 ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ Number of loops used = 6 Loop limit = 400 Temperature = 25.00 C Pressure = 1.00 bar Mixer fraction = 0.0000000 Water: Moles liquid = 0.5551E+02 kg liquid = 0.1000E+01 Moles total = 0.5551E+02 kg total = 0.1000E+01 Activity = 1.0000 Stoichiometric ionic strength = .1802000E-03 Osmotic coef. = 0.9898 True ionic strength = .3168084E-06 Chg. balance for total moles = -.1115E-19 Max. difference allowed = 0.1000E-10 Log Log Log Species(n) Molality Molality Activity Activity Gamma Gamma 1 H+ 0.21679E-06 -6.6640 0.21282E-06 -6.6720 0.98165E+00 -0.0080 2 H2O 0.10000E+01 0.0000 0.10000E+01 0.0000 3 Cl- 0.10000E-06 -7.0000 0.98165E-07 -7.0080 0.98165E+00 -0.0080 4 SO4-- 0.43239E-20 -20.3641 0.42362E-20 -20.3730 0.97971E+00 -0.0089 5 HCO3- 0.68372E-07 -7.1651 0.67118E-07 -7.1732 0.98165E+00 -0.0080 6 HS- 0.77026-158 -158.1134 0.75613-158 -158.1214 0.98165E+00 -0.0080 7 Na+ 0.10000E-06 -7.0000 0.98165E-07 -7.0080 0.98165E+00 -0.0080 8 F- 0.99969E-07 -7.0001 0.98135E-07 -7.0082 0.98165E+00 -0.0080 9 NH4+ 0.26172E-79 -79.5822 0.25692E-79 -79.5902 0.98165E+00 -0.0080 10 CH4,aq 0.15328-150 -150.8145 0.15327-150 -150.8145 0.99996E+00 0.0000 15 CO,aq 0.18397E-53 -53.7353 0.18397E-53 -53.7353 0.10000E+01 0.0000 16 CO2,aq 0.31613E-07 -7.5001 0.31611E-07 -7.5002 0.99996E+00 0.0000 17 CO3-2 0.15092E-10 -10.8213 0.14785E-10 -10.8302 0.97971E+00 -0.0089 18 HCN,aq 0.98069-141 -141.0085 0.98069-141 -141.0085 0.10000E+01 0.0000 19 CN- 0.27263-143 -143.5644 0.26763-143 -143.5725 0.98165E+00 -0.0080 20 OCN- 0.21811E-96 -96.6613 0.21410E-96 -96.6694 0.98165E+00 -0.0080 22 HCl,aq 0.40734E-14 -14.3900 0.40734E-14 -14.3900 0.10000E+01 0.0000 23 HClO,aq 0.90794E-23 -23.0419 0.90794E-23 -23.0419 0.10000E+01 0.0000 24 ClO- 0.12249E-23 -23.9119 0.12024E-23 -23.9199 0.98165E+00 -0.0080 25 HClO2,aq 0.37252E-38 -38.4288 0.37252E-38 -38.4288 0.10000E+01 0.0000 26 HF,aq 0.30749E-10 -10.5122 0.30749E-10 -10.5122 0.10000E+01 0.0000 27 HF2- 0.74250E-18 -18.1293 0.72887E-18 -18.1373 0.98165E+00 -0.0080 28 H2,aq 0.50573E-44 -44.2961 0.50571E-44 -44.2961 0.99996E+00 0.0000 29 NH3,aq 0.69311E-82 -82.1592 0.69308E-82 -82.1592 0.99996E+00 0.0000 30 HNO2,aq 0.31701E-37 -37.4989 0.31701E-37 -37.4989 0.10000E+01 0.0000 31 NO2- 0.90389E-34 -34.0439 0.88730E-34 -34.0519 0.98165E+00 -0.0080 32 HNO3,aq 0.25013E-28 -28.6018 0.25013E-28 -28.6018 0.10000E+01 0.0000 33 NO3- 0.24000E-20 -20.6198 0.23560E-20 -20.6278 0.98165E+00 -0.0080 34 N2,aq 0.51509E-53 -53.2881 0.51507E-53 -53.2881 0.99996E+00 0.0000 35 N2O2-2 0.10043-102 -102.9981 0.98390-103 -103.0070 0.97971E+00 -0.0089 36 HN2O2- 0.21086E-98 -98.6760 0.20699E-98 -98.6840 0.98165E+00 -0.0080 37 H2N2O2,aq 0.47969E-98 -98.3190 0.47969E-98 -98.3190 0.10000E+01 0.0000 38 N2H5+ 0.25806-153 -153.5883 0.25332-153 -153.5963 0.98165E+00 -0.0080 39 N2H6+2 0.51710-161 -161.2864 0.50661-161 -161.2953 0.97971E+00 -0.0089 40 NaCl,aq 0.16103E-14 -14.7931 0.16103E-14 -14.7931 0.10000E+01 0.0000 41 NaF,aq 0.96779E-15 -15.0142 0.96779E-15 -15.0142 0.10000E+01 0.0000 42 NaOH,aq 0.28771E-14 -14.5410 0.28771E-14 -14.5410 0.10000E+01 0.0000 43 O2,aq 0.24000E-03 -3.6198 0.23999E-03 -3.6198 0.99996E+00 0.0000 44 OH- 0.48422E-07 -7.3150 0.47533E-07 -7.3230 0.98165E+00 -0.0080 45 HO2- 0.36403E-23 -23.4389 0.35735E-23 -23.4469 0.98165E+00 -0.0080 46 H2O2,aq 0.36736E-18 -18.4349 0.36736E-18 -18.4349 0.10000E+01 0.0000 47 H2S,aq 0.15654-157 -157.8054 0.15653-157 -157.8054 0.99996E+00 0.0000 53 SO2,aq 0.34189E-69 -69.4661 0.34189E-69 -69.4661 0.10000E+01 0.0000 54 SO3-2 0.66341E-65 -65.1782 0.64995E-65 -65.1871 0.97971E+00 -0.0089 55 HSO3- 0.22591E-64 -64.6461 0.22176E-64 -64.6541 0.98165E+00 -0.0080 56 HSO4- 0.87503E-25 -25.0580 0.85898E-25 -25.0660 0.98165E+00 -0.0080 57 HSO5- 0.73472E-46 -46.1339 0.72124E-46 -46.1419 0.98165E+00 -0.0080 58 S2O3-2 0.41733-180 -180.3795 0.40886-180 -180.3884 0.97971E+00 -0.0089 59 HS2O3- 0.42916-185 -185.3674 0.42129-185 -185.3754 0.98165E+00 -0.0080 60 H2S2O3,aq 0.34640-191 -191.4604 0.34640-191 -191.4604 0.10000E+01 0.0000 61 S2O4-2 0.78086-167 -167.1074 0.76502-167 -167.1163 0.97971E+00 -0.0089 62 HS2O4- 0.51608-171 -171.2873 0.50661-171 -171.2953 0.98165E+00 -0.0080 63 H2S2O4,aq 0.25043-177 -177.6013 0.25043-177 -177.6013 0.10000E+01 0.0000 64 S2O5-2 0.76501-134 -134.1163 0.74949-134 -134.1252 0.97971E+00 -0.0089 65 S2O6-2 0.20359-103 -103.6912 0.19946-103 -103.7001 0.97971E+00 -0.0089 66 S2O8-2 0.40641E-78 -78.3910 0.39816E-78 -78.3999 0.97971E+00 -0.0089 Charge balance for all species = -.2204E-19 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. Reactant consumed: 0.0000000 moles log = -20.9208 Original solution: 0.0000000 g Original solution / Rock added: 0.00 (Water/Rock Ratio), log = 0.0000 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 0.8929E-67 1.0000 0.3083E-01 0.3083E-01 CO2,gas 0.2683E-71 1.0000 0.9265E-06 0.9265E-06 CH4,gas 0.3667-213 1.0000 0.1266-147 0.1266-147 H2,gas 0.1869-106 1.0000 0.6455E-41 0.6455E-41 H2S,gas 0.3710-222 1.0000 0.1281-156 0.1281-156 S2,gas 0.4447-322 1.0000 0.1540-256 0.1540-256 CO,gas 0.5414-116 1.0000 0.1870E-50 0.1870E-50 NO2,gas 0.5241-100 1.0000 0.1810E-34 0.1810E-34 SO3,gas 0.7410-123 1.0000 0.2558E-57 0.2558E-57 O2,gas 0.1000E+01 1.0000 0.3453E+66 0.3453E+66 NH3,gas 0.3203-149 1.0000 0.1106E-83 0.1106E-83 N2,gas 0.2294-115 1.0000 0.7922E-50 0.7922E-50 SO2,gas 0.6694-135 1.0000 0.2311E-69 0.2311E-69 HF,gas 0.4684E-80 1.0000 0.1617E-14 0.1617E-14 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 -13.85 -6.03 -2.011 0.82309E+04 -6.033 3 CH4,gas 2.98 -144.92 -147.90 -36.974 0.20177E+06 -147.898 4 H2,gas 8.42 -32.77 -41.19 -23.537 0.56195E+05 -41.190 5 H2S,gas -7.90 -164.79 -156.89 -78.446 0.21405E+06 -156.892 6 S2,gas -7.24 -264.05 -256.81 -39.510 0.35037E+06 -256.813 7 CO,gas 4.11 -46.61 -50.73 -15.609 0.69208E+05 -50.728 8 NO2,gas 76.52 41.77 -34.74 -7.941 0.47399E+05 -34.742 9 SO3,gas 23.88 -33.72 -57.59 -14.398 0.78572E+05 -57.592 10 O2,gas 66.26 65.54 -0.72 -0.480 0.98202E+03 -0.720 11 NH3,gas 11.04 -72.92 -83.96 -41.978 0.11454E+06 -83.956 12 N2,gas 2.57 -47.53 -50.10 -6.465 0.68352E+05 -50.101 13 SO2,gas 3.15 -66.49 -69.64 -18.570 0.95004E+05 -69.636 14 HF,gas 1.11 -13.68 -14.79 -7.396 0.20179E+05 -14.791 15 HCl,gas 6.31 -13.68 -19.99 -9.993 0.27267E+05 -19.986 Calculations done for 25.0000 Deg. C; 1.0000 bar Next reactant titration increment of: 0.0000000 MOLES Current total amount of reactant added: 0.0000000 MOLES New total amount of reactant added: 0.0000000 MOLES Solids and gases carried Charge balance check after fractionation or titration: TBAL = -.1095E-19 ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ Merapi workup for air saturated water (ASW). Oxygen part already done in Solveq. Now add N2 ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ Number of loops used = 6 Loop limit = 400 Temperature = 25.00 C Pressure = 1.00 bar Mixer fraction = 0.0000000 Water: Moles liquid = 0.5551E+02 kg liquid = 0.1000E+01 Moles total = 0.5551E+02 kg total = 0.1000E+01 Activity = 1.0000 Stoichiometric ionic strength = .1802000E-03 Osmotic coef. = 0.9898 True ionic strength = .3168084E-06 Chg. balance for total moles = -.1095E-19 Max. difference allowed = 0.1000E-10 Log Log Log Species(n) Molality Molality Activity Activity Gamma Gamma 1 H+ 0.21679E-06 -6.6640 0.21282E-06 -6.6720 0.98165E+00 -0.0080 2 H2O 0.10000E+01 0.0000 0.10000E+01 0.0000 3 Cl- 0.10000E-06 -7.0000 0.98165E-07 -7.0080 0.98165E+00 -0.0080 4 SO4-- 0.43237E-20 -20.3641 0.42360E-20 -20.3730 0.97971E+00 -0.0089 5 HCO3- 0.68372E-07 -7.1651 0.67118E-07 -7.1732 0.98165E+00 -0.0080 6 HS- 0.77022-158 -158.1134 0.75609-158 -158.1214 0.98165E+00 -0.0080 7 Na+ 0.10000E-06 -7.0000 0.98165E-07 -7.0080 0.98165E+00 -0.0080 8 F- 0.99969E-07 -7.0001 0.98135E-07 -7.0082 0.98165E+00 -0.0080 9 NH4+ 0.28353E-79 -79.5474 0.27832E-79 -79.5554 0.98165E+00 -0.0080 10 CH4,aq 0.15328-150 -150.8145 0.15327-150 -150.8145 0.99996E+00 0.0000 15 CO,aq 0.18397E-53 -53.7353 0.18397E-53 -53.7353 0.10000E+01 0.0000 16 CO2,aq 0.31613E-07 -7.5001 0.31611E-07 -7.5002 0.99996E+00 0.0000 17 CO3-2 0.15092E-10 -10.8213 0.14785E-10 -10.8302 0.97971E+00 -0.0089 18 HCN,aq 0.10624-140 -140.9737 0.10624-140 -140.9737 0.10000E+01 0.0000 19 CN- 0.29535-143 -143.5297 0.28993-143 -143.5377 0.98165E+00 -0.0080 20 OCN- 0.23628E-96 -96.6266 0.23195E-96 -96.6346 0.98165E+00 -0.0080 22 HCl,aq 0.40734E-14 -14.3900 0.40734E-14 -14.3900 0.10000E+01 0.0000 23 HClO,aq 0.90794E-23 -23.0419 0.90794E-23 -23.0419 0.10000E+01 0.0000 24 ClO- 0.12249E-23 -23.9119 0.12024E-23 -23.9199 0.98165E+00 -0.0080 25 HClO2,aq 0.37252E-38 -38.4288 0.37252E-38 -38.4288 0.10000E+01 0.0000 26 HF,aq 0.30749E-10 -10.5122 0.30749E-10 -10.5122 0.10000E+01 0.0000 27 HF2- 0.74250E-18 -18.1293 0.72887E-18 -18.1373 0.98165E+00 -0.0080 28 H2,aq 0.50573E-44 -44.2961 0.50571E-44 -44.2961 0.99996E+00 0.0000 29 NH3,aq 0.75087E-82 -82.1244 0.75084E-82 -82.1245 0.99996E+00 0.0000 30 HNO2,aq 0.34343E-37 -37.4642 0.34343E-37 -37.4642 0.10000E+01 0.0000 31 NO2- 0.97921E-34 -34.0091 0.96125E-34 -34.0172 0.98165E+00 -0.0080 32 HNO3,aq 0.27098E-28 -28.5671 0.27098E-28 -28.5671 0.10000E+01 0.0000 33 NO3- 0.26000E-20 -20.5850 0.25523E-20 -20.5931 0.98165E+00 -0.0080 34 N2,aq 0.60451E-53 -53.2186 0.60449E-53 -53.2186 0.99996E+00 0.0000 35 N2O2-2 0.11786-102 -102.9286 0.11547-102 -102.9375 0.97971E+00 -0.0089 36 HN2O2- 0.24747E-98 -98.6065 0.24293E-98 -98.6145 0.98165E+00 -0.0080 37 H2N2O2,aq 0.56297E-98 -98.2495 0.56297E-98 -98.2495 0.10000E+01 0.0000 38 N2H5+ 0.30286-153 -153.5188 0.29730-153 -153.5268 0.98165E+00 -0.0080 39 N2H6+2 0.60688-161 -161.2169 0.59457-161 -161.2258 0.97971E+00 -0.0089 40 NaCl,aq 0.16103E-14 -14.7931 0.16103E-14 -14.7931 0.10000E+01 0.0000 41 NaF,aq 0.96779E-15 -15.0142 0.96779E-15 -15.0142 0.10000E+01 0.0000 42 NaOH,aq 0.28771E-14 -14.5410 0.28771E-14 -14.5410 0.10000E+01 0.0000 43 O2,aq 0.24000E-03 -3.6198 0.23999E-03 -3.6198 0.99996E+00 0.0000 44 OH- 0.48422E-07 -7.3150 0.47533E-07 -7.3230 0.98165E+00 -0.0080 45 HO2- 0.36403E-23 -23.4389 0.35735E-23 -23.4469 0.98165E+00 -0.0080 46 H2O2,aq 0.36736E-18 -18.4349 0.36736E-18 -18.4349 0.10000E+01 0.0000 47 H2S,aq 0.15653-157 -157.8054 0.15652-157 -157.8054 0.99996E+00 0.0000 53 SO2,aq 0.34187E-69 -69.4661 0.34187E-69 -69.4661 0.10000E+01 0.0000 54 SO3-2 0.66338E-65 -65.1782 0.64992E-65 -65.1871 0.97971E+00 -0.0089 55 HSO3- 0.22589E-64 -64.6461 0.22175E-64 -64.6541 0.98165E+00 -0.0080 56 HSO4- 0.87499E-25 -25.0580 0.85893E-25 -25.0660 0.98165E+00 -0.0080 57 HSO5- 0.73468E-46 -46.1339 0.72120E-46 -46.1419 0.98165E+00 -0.0080 58 S2O3-2 0.41729-180 -180.3796 0.40882-180 -180.3885 0.97971E+00 -0.0089 59 HS2O3- 0.42912-185 -185.3674 0.42125-185 -185.3755 0.98165E+00 -0.0080 60 H2S2O3,aq 0.34637-191 -191.4605 0.34637-191 -191.4605 0.10000E+01 0.0000 61 S2O4-2 0.78078-167 -167.1075 0.76494-167 -167.1164 0.97971E+00 -0.0089 62 HS2O4- 0.51603-171 -171.2873 0.50656-171 -171.2954 0.98165E+00 -0.0080 63 H2S2O4,aq 0.25040-177 -177.6014 0.25040-177 -177.6014 0.10000E+01 0.0000 64 S2O5-2 0.76494-134 -134.1164 0.74942-134 -134.1253 0.97971E+00 -0.0089 65 S2O6-2 0.20357-103 -103.6913 0.19944-103 -103.7002 0.97971E+00 -0.0089 66 S2O8-2 0.40636E-78 -78.3911 0.39812E-78 -78.4000 0.97971E+00 -0.0089 Charge balance for all species = -.3986E-19 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. Reactant consumed: 0.0000000 moles log = -20.8861 Original solution: 0.0000000 g Original solution / Rock added: 0.00 (Water/Rock Ratio), log = 0.0000 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 0.8929E-67 1.0000 0.3083E-01 0.3083E-01 CO2,gas 0.2683E-71 1.0000 0.9265E-06 0.9265E-06 CH4,gas 0.3667-213 1.0000 0.1266-147 0.1266-147 H2,gas 0.1869-106 1.0000 0.6455E-41 0.6455E-41 H2S,gas 0.3710-222 1.0000 0.1281-156 0.1281-156 S2,gas 0.4447-322 1.0000 0.1539-256 0.1539-256 CO,gas 0.5414-116 1.0000 0.1870E-50 0.1870E-50 NO2,gas 0.5678-100 1.0000 0.1961E-34 0.1961E-34 SO3,gas 0.7409-123 1.0000 0.2558E-57 0.2558E-57 O2,gas 0.1000E+01 1.0000 0.3453E+66 0.3453E+66 NH3,gas 0.3470-149 1.0000 0.1198E-83 0.1198E-83 N2,gas 0.2693-115 1.0000 0.9298E-50 0.9298E-50 SO2,gas 0.6694-135 1.0000 0.2311E-69 0.2311E-69 HF,gas 0.4684E-80 1.0000 0.1617E-14 0.1617E-14 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 -13.85 -6.03 -2.011 0.82309E+04 -6.033 3 CH4,gas 2.98 -144.92 -147.90 -36.974 0.20177E+06 -147.898 4 H2,gas 8.42 -32.77 -41.19 -23.537 0.56195E+05 -41.190 5 H2S,gas -7.90 -164.79 -156.89 -78.446 0.21405E+06 -156.892 6 S2,gas -7.24 -264.05 -256.81 -39.510 0.35037E+06 -256.813 7 CO,gas 4.11 -46.61 -50.73 -15.609 0.69208E+05 -50.728 8 NO2,gas 76.52 41.81 -34.71 -7.933 0.47351E+05 -34.708 9 SO3,gas 23.88 -33.72 -57.59 -14.398 0.78572E+05 -57.592 10 O2,gas 66.26 65.54 -0.72 -0.480 0.98202E+03 -0.720 11 NH3,gas 11.04 -72.88 -83.92 -41.961 0.11449E+06 -83.921 12 N2,gas 2.57 -47.46 -50.03 -6.456 0.68257E+05 -50.032 13 SO2,gas 3.15 -66.49 -69.64 -18.570 0.95004E+05 -69.636 14 HF,gas 1.11 -13.68 -14.79 -7.396 0.20179E+05 -14.791 15 HCl,gas 6.31 -13.68 -19.99 -9.993 0.27267E+05 -19.986 Calculations done for 25.0000 Deg. C; 1.0000 bar Next reactant titration increment of: 0.0000000 MOLES Current total amount of reactant added: 0.0000000 MOLES New total amount of reactant added: 0.0000000 MOLES Solids and gases carried Charge balance check after fractionation or titration: TBAL = -.1075E-19 ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ Merapi workup for air saturated water (ASW). Oxygen part already done in Solveq. Now add N2 ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ Number of loops used = 6 Loop limit = 400 Temperature = 25.00 C Pressure = 1.00 bar Mixer fraction = 0.0000000 Water: Moles liquid = 0.5551E+02 kg liquid = 0.1000E+01 Moles total = 0.5551E+02 kg total = 0.1000E+01 Activity = 1.0000 Stoichiometric ionic strength = .1802000E-03 Osmotic coef. = 0.9898 True ionic strength = .3168084E-06 Chg. balance for total moles = -.1075E-19 Max. difference allowed = 0.1000E-10 Log Log Log Species(n) Molality Molality Activity Activity Gamma Gamma 1 H+ 0.21679E-06 -6.6640 0.21282E-06 -6.6720 0.98165E+00 -0.0080 2 H2O 0.10000E+01 0.0000 0.10000E+01 0.0000 3 Cl- 0.10000E-06 -7.0000 0.98165E-07 -7.0080 0.98165E+00 -0.0080 4 SO4-- 0.43235E-20 -20.3642 0.42358E-20 -20.3731 0.97971E+00 -0.0089 5 HCO3- 0.68372E-07 -7.1651 0.67118E-07 -7.1732 0.98165E+00 -0.0080 6 HS- 0.77018-158 -158.1134 0.75605-158 -158.1214 0.98165E+00 -0.0080 7 Na+ 0.10000E-06 -7.0000 0.98165E-07 -7.0080 0.98165E+00 -0.0080 8 F- 0.99969E-07 -7.0001 0.98135E-07 -7.0082 0.98165E+00 -0.0080 9 NH4+ 0.30534E-79 -79.5152 0.29973E-79 -79.5233 0.98165E+00 -0.0080 10 CH4,aq 0.15328-150 -150.8145 0.15327-150 -150.8145 0.99996E+00 0.0000 15 CO,aq 0.18397E-53 -53.7353 0.18397E-53 -53.7353 0.10000E+01 0.0000 16 CO2,aq 0.31613E-07 -7.5001 0.31611E-07 -7.5002 0.99996E+00 0.0000 17 CO3-2 0.15092E-10 -10.8213 0.14785E-10 -10.8302 0.97971E+00 -0.0089 18 HCN,aq 0.11441-140 -140.9415 0.11441-140 -140.9415 0.10000E+01 0.0000 19 CN- 0.31807-143 -143.4975 0.31223-143 -143.5055 0.98165E+00 -0.0080 20 OCN- 0.25446E-96 -96.5944 0.24979E-96 -96.6024 0.98165E+00 -0.0080 22 HCl,aq 0.40734E-14 -14.3900 0.40734E-14 -14.3900 0.10000E+01 0.0000 23 HClO,aq 0.90794E-23 -23.0419 0.90794E-23 -23.0419 0.10000E+01 0.0000 24 ClO- 0.12249E-23 -23.9119 0.12024E-23 -23.9199 0.98165E+00 -0.0080 25 HClO2,aq 0.37252E-38 -38.4288 0.37252E-38 -38.4288 0.10000E+01 0.0000 26 HF,aq 0.30749E-10 -10.5122 0.30749E-10 -10.5122 0.10000E+01 0.0000 27 HF2- 0.74250E-18 -18.1293 0.72887E-18 -18.1373 0.98165E+00 -0.0080 28 H2,aq 0.50573E-44 -44.2961 0.50571E-44 -44.2961 0.99996E+00 0.0000 29 NH3,aq 0.80863E-82 -82.0922 0.80860E-82 -82.0923 0.99996E+00 0.0000 30 HNO2,aq 0.36985E-37 -37.4320 0.36985E-37 -37.4320 0.10000E+01 0.0000 31 NO2- 0.10545E-33 -33.9769 0.10352E-33 -33.9850 0.98165E+00 -0.0080 32 HNO3,aq 0.29182E-28 -28.5349 0.29182E-28 -28.5349 0.10000E+01 0.0000 33 NO3- 0.28000E-20 -20.5528 0.27486E-20 -20.5609 0.98165E+00 -0.0080 34 N2,aq 0.70109E-53 -53.1542 0.70106E-53 -53.1542 0.99996E+00 0.0000 35 N2O2-2 0.13669-102 -102.8643 0.13392-102 -102.8732 0.97971E+00 -0.0089 36 HN2O2- 0.28701E-98 -98.5421 0.28174E-98 -98.5502 0.98165E+00 -0.0080 37 H2N2O2,aq 0.65291E-98 -98.1851 0.65291E-98 -98.1851 0.10000E+01 0.0000 38 N2H5+ 0.35124-153 -153.4544 0.34480-153 -153.4624 0.98165E+00 -0.0080 39 N2H6+2 0.70384-161 -161.1525 0.68956-161 -161.1614 0.97971E+00 -0.0089 40 NaCl,aq 0.16103E-14 -14.7931 0.16103E-14 -14.7931 0.10000E+01 0.0000 41 NaF,aq 0.96779E-15 -15.0142 0.96779E-15 -15.0142 0.10000E+01 0.0000 42 NaOH,aq 0.28771E-14 -14.5410 0.28771E-14 -14.5410 0.10000E+01 0.0000 43 O2,aq 0.24000E-03 -3.6198 0.23999E-03 -3.6198 0.99996E+00 0.0000 44 OH- 0.48422E-07 -7.3150 0.47533E-07 -7.3230 0.98165E+00 -0.0080 45 HO2- 0.36403E-23 -23.4389 0.35735E-23 -23.4469 0.98165E+00 -0.0080 46 H2O2,aq 0.36736E-18 -18.4349 0.36736E-18 -18.4349 0.10000E+01 0.0000 47 H2S,aq 0.15652-157 -157.8054 0.15651-157 -157.8054 0.99996E+00 0.0000 53 SO2,aq 0.34186E-69 -69.4662 0.34186E-69 -69.4662 0.10000E+01 0.0000 54 SO3-2 0.66334E-65 -65.1783 0.64989E-65 -65.1872 0.97971E+00 -0.0089 55 HSO3- 0.22588E-64 -64.6461 0.22174E-64 -64.6542 0.98165E+00 -0.0080 56 HSO4- 0.87494E-25 -25.0580 0.85889E-25 -25.0661 0.98165E+00 -0.0080 57 HSO5- 0.73464E-46 -46.1339 0.72116E-46 -46.1420 0.98165E+00 -0.0080 58 S2O3-2 0.41724-180 -180.3796 0.40878-180 -180.3885 0.97971E+00 -0.0089 59 HS2O3- 0.42908-185 -185.3675 0.42120-185 -185.3755 0.98165E+00 -0.0080 60 H2S2O3,aq 0.34633-191 -191.4605 0.34633-191 -191.4605 0.10000E+01 0.0000 61 S2O4-2 0.78070-167 -167.1075 0.76486-167 -167.1164 0.97971E+00 -0.0089 62 HS2O4- 0.51598-171 -171.2874 0.50651-171 -171.2954 0.98165E+00 -0.0080 63 H2S2O4,aq 0.25037-177 -177.6014 0.25037-177 -177.6014 0.10000E+01 0.0000 64 S2O5-2 0.76486-134 -134.1164 0.74934-134 -134.1253 0.97971E+00 -0.0089 65 S2O6-2 0.20355-103 -103.6913 0.19942-103 -103.7002 0.97971E+00 -0.0089 66 S2O8-2 0.40632E-78 -78.3911 0.39808E-78 -78.4000 0.97971E+00 -0.0089 Charge balance for all species = -.2848E-19 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. Reactant consumed: 0.0000000 moles log = -20.8539 Original solution: 0.0000000 g Original solution / Rock added: 0.00 (Water/Rock Ratio), log = 0.0000 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 0.8929E-67 1.0000 0.3083E-01 0.3083E-01 CO2,gas 0.2683E-71 1.0000 0.9265E-06 0.9265E-06 CH4,gas 0.3667-213 1.0000 0.1266-147 0.1266-147 H2,gas 0.1869-106 1.0000 0.6455E-41 0.6455E-41 H2S,gas 0.3710-222 1.0000 0.1281-156 0.1281-156 S2,gas 0.4447-322 1.0000 0.1539-256 0.1539-256 CO,gas 0.5414-116 1.0000 0.1870E-50 0.1870E-50 NO2,gas 0.6115-100 1.0000 0.2111E-34 0.2111E-34 SO3,gas 0.7409-123 1.0000 0.2558E-57 0.2558E-57 O2,gas 0.1000E+01 1.0000 0.3453E+66 0.3453E+66 NH3,gas 0.3737-149 1.0000 0.1290E-83 0.1290E-83 N2,gas 0.3123-115 1.0000 0.1078E-49 0.1078E-49 SO2,gas 0.6693-135 1.0000 0.2311E-69 0.2311E-69 HF,gas 0.4684E-80 1.0000 0.1617E-14 0.1617E-14 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 -13.85 -6.03 -2.011 0.82309E+04 -6.033 3 CH4,gas 2.98 -144.92 -147.90 -36.974 0.20177E+06 -147.898 4 H2,gas 8.42 -32.77 -41.19 -23.537 0.56195E+05 -41.190 5 H2S,gas -7.90 -164.79 -156.89 -78.446 0.21405E+06 -156.892 6 S2,gas -7.24 -264.05 -256.81 -39.510 0.35037E+06 -256.813 7 CO,gas 4.11 -46.61 -50.73 -15.609 0.69208E+05 -50.728 8 NO2,gas 76.52 41.84 -34.68 -7.926 0.47307E+05 -34.675 9 SO3,gas 23.88 -33.72 -57.59 -14.398 0.78572E+05 -57.592 10 O2,gas 66.26 65.54 -0.72 -0.480 0.98202E+03 -0.720 11 NH3,gas 11.04 -72.85 -83.89 -41.945 0.11445E+06 -83.889 12 N2,gas 2.57 -47.40 -49.97 -6.447 0.68170E+05 -49.967 13 SO2,gas 3.15 -66.49 -69.64 -18.570 0.95004E+05 -69.636 14 HF,gas 1.11 -13.68 -14.79 -7.396 0.20179E+05 -14.791 15 HCl,gas 6.31 -13.68 -19.99 -9.993 0.27267E+05 -19.986 Calculations done for 25.0000 Deg. C; 1.0000 bar Next reactant titration increment of: 0.0000000 MOLES Current total amount of reactant added: 0.0000000 MOLES New total amount of reactant added: 0.0000000 MOLES Solids and gases carried Charge balance check after fractionation or titration: TBAL = -.1055E-19 ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ Merapi workup for air saturated water (ASW). Oxygen part already done in Solveq. Now add N2 ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ Number of loops used = 6 Loop limit = 400 Temperature = 25.00 C Pressure = 1.00 bar Mixer fraction = 0.0000000 Water: Moles liquid = 0.5551E+02 kg liquid = 0.1000E+01 Moles total = 0.5551E+02 kg total = 0.1000E+01 Activity = 1.0000 Stoichiometric ionic strength = .1802000E-03 Osmotic coef. = 0.9898 True ionic strength = .3168084E-06 Chg. balance for total moles = -.1055E-19 Max. difference allowed = 0.1000E-10 Log Log Log Species(n) Molality Molality Activity Activity Gamma Gamma 1 H+ 0.21679E-06 -6.6640 0.21282E-06 -6.6720 0.98165E+00 -0.0080 2 H2O 0.10000E+01 0.0000 0.10000E+01 0.0000 3 Cl- 0.10000E-06 -7.0000 0.98165E-07 -7.0080 0.98165E+00 -0.0080 4 SO4-- 0.43233E-20 -20.3642 0.42356E-20 -20.3731 0.97971E+00 -0.0089 5 HCO3- 0.68372E-07 -7.1651 0.67118E-07 -7.1732 0.98165E+00 -0.0080 6 HS- 0.77014-158 -158.1134 0.75601-158 -158.1215 0.98165E+00 -0.0080 7 Na+ 0.10000E-06 -7.0000 0.98165E-07 -7.0080 0.98165E+00 -0.0080 8 F- 0.99969E-07 -7.0001 0.98135E-07 -7.0082 0.98165E+00 -0.0080 9 NH4+ 0.32715E-79 -79.4853 0.32114E-79 -79.4933 0.98165E+00 -0.0080 10 CH4,aq 0.15328-150 -150.8145 0.15327-150 -150.8145 0.99996E+00 0.0000 15 CO,aq 0.18397E-53 -53.7353 0.18397E-53 -53.7353 0.10000E+01 0.0000 16 CO2,aq 0.31613E-07 -7.5001 0.31611E-07 -7.5002 0.99996E+00 0.0000 17 CO3-2 0.15092E-10 -10.8213 0.14785E-10 -10.8302 0.97971E+00 -0.0089 18 HCN,aq 0.12259-140 -140.9116 0.12259-140 -140.9116 0.10000E+01 0.0000 19 CN- 0.34078-143 -143.4675 0.33453-143 -143.4756 0.98165E+00 -0.0080 20 OCN- 0.27263E-96 -96.5644 0.26763E-96 -96.5725 0.98165E+00 -0.0080 22 HCl,aq 0.40734E-14 -14.3900 0.40734E-14 -14.3900 0.10000E+01 0.0000 23 HClO,aq 0.90794E-23 -23.0419 0.90794E-23 -23.0419 0.10000E+01 0.0000 24 ClO- 0.12249E-23 -23.9119 0.12024E-23 -23.9199 0.98165E+00 -0.0080 25 HClO2,aq 0.37252E-38 -38.4288 0.37252E-38 -38.4288 0.10000E+01 0.0000 26 HF,aq 0.30749E-10 -10.5122 0.30749E-10 -10.5122 0.10000E+01 0.0000 27 HF2- 0.74250E-18 -18.1293 0.72887E-18 -18.1373 0.98165E+00 -0.0080 28 H2,aq 0.50573E-44 -44.2961 0.50571E-44 -44.2961 0.99996E+00 0.0000 29 NH3,aq 0.86639E-82 -82.0623 0.86636E-82 -82.0623 0.99996E+00 0.0000 30 HNO2,aq 0.39627E-37 -37.4020 0.39627E-37 -37.4020 0.10000E+01 0.0000 31 NO2- 0.11299E-33 -33.9470 0.11091E-33 -33.9550 0.98165E+00 -0.0080 32 HNO3,aq 0.31267E-28 -28.5049 0.31267E-28 -28.5049 0.10000E+01 0.0000 33 NO3- 0.30000E-20 -20.5229 0.29450E-20 -20.5309 0.98165E+00 -0.0080 34 N2,aq 0.80482E-53 -53.0943 0.80479E-53 -53.0943 0.99996E+00 0.0000 35 N2O2-2 0.15692-102 -102.8043 0.15373-102 -102.8132 0.97971E+00 -0.0089 36 HN2O2- 0.32947E-98 -98.4822 0.32343E-98 -98.4902 0.98165E+00 -0.0080 37 H2N2O2,aq 0.74951E-98 -98.1252 0.74951E-98 -98.1252 0.10000E+01 0.0000 38 N2H5+ 0.40321-153 -153.3945 0.39582-153 -153.4025 0.98165E+00 -0.0080 39 N2H6+2 0.80797-161 -161.0926 0.79158-161 -161.1015 0.97971E+00 -0.0089 40 NaCl,aq 0.16103E-14 -14.7931 0.16103E-14 -14.7931 0.10000E+01 0.0000 41 NaF,aq 0.96779E-15 -15.0142 0.96779E-15 -15.0142 0.10000E+01 0.0000 42 NaOH,aq 0.28771E-14 -14.5410 0.28771E-14 -14.5410 0.10000E+01 0.0000 43 O2,aq 0.24000E-03 -3.6198 0.23999E-03 -3.6198 0.99996E+00 0.0000 44 OH- 0.48422E-07 -7.3150 0.47533E-07 -7.3230 0.98165E+00 -0.0080 45 HO2- 0.36403E-23 -23.4389 0.35735E-23 -23.4469 0.98165E+00 -0.0080 46 H2O2,aq 0.36736E-18 -18.4349 0.36736E-18 -18.4349 0.10000E+01 0.0000 47 H2S,aq 0.15651-157 -157.8054 0.15651-157 -157.8055 0.99996E+00 0.0000 53 SO2,aq 0.34184E-69 -69.4662 0.34184E-69 -69.4662 0.10000E+01 0.0000 54 SO3-2 0.66331E-65 -65.1783 0.64985E-65 -65.1872 0.97971E+00 -0.0089 55 HSO3- 0.22587E-64 -64.6461 0.22173E-64 -64.6542 0.98165E+00 -0.0080 56 HSO4- 0.87490E-25 -25.0580 0.85884E-25 -25.0661 0.98165E+00 -0.0080 57 HSO5- 0.73460E-46 -46.1339 0.72113E-46 -46.1420 0.98165E+00 -0.0080 58 S2O3-2 0.41720-180 -180.3797 0.40874-180 -180.3886 0.97971E+00 -0.0089 59 HS2O3- 0.42903-185 -185.3675 0.42116-185 -185.3756 0.98165E+00 -0.0080 60 H2S2O3,aq 0.34630-191 -191.4605 0.34630-191 -191.4605 0.10000E+01 0.0000 61 S2O4-2 0.78062-167 -167.1076 0.76479-167 -167.1165 0.97971E+00 -0.0089 62 HS2O4- 0.51592-171 -171.2874 0.50646-171 -171.2955 0.98165E+00 -0.0080 63 H2S2O4,aq 0.25035-177 -177.6015 0.25035-177 -177.6015 0.10000E+01 0.0000 64 S2O5-2 0.76478-134 -134.1165 0.74927-134 -134.1254 0.97971E+00 -0.0089 65 S2O6-2 0.20353-103 -103.6914 0.19940-103 -103.7003 0.97971E+00 -0.0089 66 S2O8-2 0.40628E-78 -78.3912 0.39804E-78 -78.4001 0.97971E+00 -0.0089 Charge balance for all species = -.3140E-19 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. Reactant consumed: 0.0000000 moles log = -20.8239 Original solution: 0.0000000 g Original solution / Rock added: 0.00 (Water/Rock Ratio), log = 0.0000 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 0.8929E-67 1.0000 0.3083E-01 0.3083E-01 CO2,gas 0.2683E-71 1.0000 0.9265E-06 0.9265E-06 CH4,gas 0.3667-213 1.0000 0.1266-147 0.1266-147 H2,gas 0.1869-106 1.0000 0.6455E-41 0.6455E-41 H2S,gas 0.3710-222 1.0000 0.1281-156 0.1281-156 S2,gas 0.4447-322 1.0000 0.1539-256 0.1539-256 CO,gas 0.5414-116 1.0000 0.1870E-50 0.1870E-50 NO2,gas 0.6552-100 1.0000 0.2262E-34 0.2262E-34 SO3,gas 0.7408-123 1.0000 0.2558E-57 0.2558E-57 O2,gas 0.1000E+01 1.0000 0.3453E+66 0.3453E+66 NH3,gas 0.4004-149 1.0000 0.1383E-83 0.1383E-83 N2,gas 0.3585-115 1.0000 0.1238E-49 0.1238E-49 SO2,gas 0.6693-135 1.0000 0.2311E-69 0.2311E-69 HF,gas 0.4684E-80 1.0000 0.1617E-14 0.1617E-14 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 -13.85 -6.03 -2.011 0.82309E+04 -6.033 3 CH4,gas 2.98 -144.92 -147.90 -36.974 0.20177E+06 -147.898 4 H2,gas 8.42 -32.77 -41.19 -23.537 0.56195E+05 -41.190 5 H2S,gas -7.90 -164.79 -156.89 -78.446 0.21405E+06 -156.892 6 S2,gas -7.24 -264.05 -256.81 -39.510 0.35037E+06 -256.813 7 CO,gas 4.11 -46.61 -50.73 -15.609 0.69208E+05 -50.728 8 NO2,gas 76.52 41.87 -34.65 -7.919 0.47266E+05 -34.645 9 SO3,gas 23.88 -33.72 -57.59 -14.398 0.78572E+05 -57.592 10 O2,gas 66.26 65.54 -0.72 -0.480 0.98202E+03 -0.720 11 NH3,gas 11.04 -72.82 -83.86 -41.930 0.11441E+06 -83.859 12 N2,gas 2.57 -47.34 -49.91 -6.440 0.68088E+05 -49.907 13 SO2,gas 3.15 -66.49 -69.64 -18.570 0.95004E+05 -69.636 14 HF,gas 1.11 -13.68 -14.79 -7.396 0.20179E+05 -14.791 15 HCl,gas 6.31 -13.68 -19.99 -9.993 0.27267E+05 -19.986 Calculations done for 25.0000 Deg. C; 1.0000 bar Next reactant titration increment of: 0.0000000 MOLES Current total amount of reactant added: 0.0000000 MOLES New total amount of reactant added: 0.0000000 MOLES Solids and gases carried Charge balance check after fractionation or titration: TBAL = -.1035E-19 ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ Merapi workup for air saturated water (ASW). Oxygen part already done in Solveq. Now add N2 ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ Number of loops used = 6 Loop limit = 400 Temperature = 25.00 C Pressure = 1.00 bar Mixer fraction = 0.0000000 Water: Moles liquid = 0.5551E+02 kg liquid = 0.1000E+01 Moles total = 0.5551E+02 kg total = 0.1000E+01 Activity = 1.0000 Stoichiometric ionic strength = .1802000E-03 Osmotic coef. = 0.9898 True ionic strength = .3168084E-06 Chg. balance for total moles = -.1035E-19 Max. difference allowed = 0.1000E-10 Log Log Log Species(n) Molality Molality Activity Activity Gamma Gamma 1 H+ 0.21679E-06 -6.6640 0.21282E-06 -6.6720 0.98165E+00 -0.0080 2 H2O 0.10000E+01 0.0000 0.10000E+01 0.0000 3 Cl- 0.10000E-06 -7.0000 0.98165E-07 -7.0080 0.98165E+00 -0.0080 4 SO4-- 0.43231E-20 -20.3642 0.42353E-20 -20.3731 0.97971E+00 -0.0089 5 HCO3- 0.68372E-07 -7.1651 0.67118E-07 -7.1732 0.98165E+00 -0.0080 6 HS- 0.77010-158 -158.1135 0.75597-158 -158.1215 0.98165E+00 -0.0080 7 Na+ 0.10000E-06 -7.0000 0.98165E-07 -7.0080 0.98165E+00 -0.0080 8 F- 0.99969E-07 -7.0001 0.98135E-07 -7.0082 0.98165E+00 -0.0080 9 NH4+ 0.34896E-79 -79.4572 0.34255E-79 -79.4653 0.98165E+00 -0.0080 10 CH4,aq 0.15328-150 -150.8145 0.15327-150 -150.8145 0.99996E+00 0.0000 15 CO,aq 0.18397E-53 -53.7353 0.18397E-53 -53.7353 0.10000E+01 0.0000 16 CO2,aq 0.31613E-07 -7.5001 0.31611E-07 -7.5002 0.99996E+00 0.0000 17 CO3-2 0.15092E-10 -10.8213 0.14785E-10 -10.8302 0.97971E+00 -0.0089 18 HCN,aq 0.13076-140 -140.8835 0.13076-140 -140.8835 0.10000E+01 0.0000 19 CN- 0.36350-143 -143.4395 0.35683-143 -143.4475 0.98165E+00 -0.0080 20 OCN- 0.29081E-96 -96.5364 0.28547E-96 -96.5444 0.98165E+00 -0.0080 22 HCl,aq 0.40734E-14 -14.3900 0.40734E-14 -14.3900 0.10000E+01 0.0000 23 HClO,aq 0.90794E-23 -23.0419 0.90794E-23 -23.0419 0.10000E+01 0.0000 24 ClO- 0.12249E-23 -23.9119 0.12024E-23 -23.9199 0.98165E+00 -0.0080 25 HClO2,aq 0.37252E-38 -38.4288 0.37252E-38 -38.4288 0.10000E+01 0.0000 26 HF,aq 0.30749E-10 -10.5122 0.30749E-10 -10.5122 0.10000E+01 0.0000 27 HF2- 0.74250E-18 -18.1293 0.72887E-18 -18.1373 0.98165E+00 -0.0080 28 H2,aq 0.50573E-44 -44.2961 0.50571E-44 -44.2961 0.99996E+00 0.0000 29 NH3,aq 0.92415E-82 -82.0343 0.92411E-82 -82.0343 0.99996E+00 0.0000 30 HNO2,aq 0.42268E-37 -37.3740 0.42268E-37 -37.3740 0.10000E+01 0.0000 31 NO2- 0.12052E-33 -33.9189 0.11831E-33 -33.9270 0.98165E+00 -0.0080 32 HNO3,aq 0.33351E-28 -28.4769 0.33351E-28 -28.4769 0.10000E+01 0.0000 33 NO3- 0.32000E-20 -20.4949 0.31413E-20 -20.5029 0.98165E+00 -0.0080 34 N2,aq 0.91571E-53 -53.0382 0.91567E-53 -53.0383 0.99996E+00 0.0000 35 N2O2-2 0.17854-102 -102.7483 0.17492-102 -102.7572 0.97971E+00 -0.0089 36 HN2O2- 0.37487E-98 -98.4261 0.36799E-98 -98.4342 0.98165E+00 -0.0080 37 H2N2O2,aq 0.85278E-98 -98.0692 0.85278E-98 -98.0692 0.10000E+01 0.0000 38 N2H5+ 0.45877-153 -153.3384 0.45035-153 -153.3464 0.98165E+00 -0.0080 39 N2H6+2 0.91930-161 -161.0365 0.90065-161 -161.0454 0.97971E+00 -0.0089 40 NaCl,aq 0.16103E-14 -14.7931 0.16103E-14 -14.7931 0.10000E+01 0.0000 41 NaF,aq 0.96779E-15 -15.0142 0.96779E-15 -15.0142 0.10000E+01 0.0000 42 NaOH,aq 0.28771E-14 -14.5410 0.28771E-14 -14.5410 0.10000E+01 0.0000 43 O2,aq 0.24000E-03 -3.6198 0.23999E-03 -3.6198 0.99996E+00 0.0000 44 OH- 0.48422E-07 -7.3150 0.47533E-07 -7.3230 0.98165E+00 -0.0080 45 HO2- 0.36403E-23 -23.4389 0.35735E-23 -23.4469 0.98165E+00 -0.0080 46 H2O2,aq 0.36736E-18 -18.4349 0.36736E-18 -18.4349 0.10000E+01 0.0000 47 H2S,aq 0.15651-157 -157.8055 0.15650-157 -157.8055 0.99996E+00 0.0000 53 SO2,aq 0.34182E-69 -69.4662 0.34182E-69 -69.4662 0.10000E+01 0.0000 54 SO3-2 0.66328E-65 -65.1783 0.64982E-65 -65.1872 0.97971E+00 -0.0089 55 HSO3- 0.22586E-64 -64.6462 0.22172E-64 -64.6542 0.98165E+00 -0.0080 56 HSO4- 0.87485E-25 -25.0581 0.85880E-25 -25.0661 0.98165E+00 -0.0080 57 HSO5- 0.73457E-46 -46.1340 0.72109E-46 -46.1420 0.98165E+00 -0.0080 58 S2O3-2 0.41716-180 -180.3797 0.40870-180 -180.3886 0.97971E+00 -0.0089 59 HS2O3- 0.42899-185 -185.3676 0.42112-185 -185.3756 0.98165E+00 -0.0080 60 H2S2O3,aq 0.34626-191 -191.4606 0.34626-191 -191.4606 0.10000E+01 0.0000 61 S2O4-2 0.78054-167 -167.1076 0.76471-167 -167.1165 0.97971E+00 -0.0089 62 HS2O4- 0.51587-171 -171.2875 0.50641-171 -171.2955 0.98165E+00 -0.0080 63 H2S2O4,aq 0.25032-177 -177.6015 0.25032-177 -177.6015 0.10000E+01 0.0000 64 S2O5-2 0.76471-134 -134.1165 0.74919-134 -134.1254 0.97971E+00 -0.0089 65 S2O6-2 0.20351-103 -103.6914 0.19938-103 -103.7003 0.97971E+00 -0.0089 66 S2O8-2 0.40624E-78 -78.3912 0.39800E-78 -78.4001 0.97971E+00 -0.0089 Charge balance for all species = -.1839E-19 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. Reactant consumed: 0.0000000 moles log = -20.7959 Original solution: 0.0000000 g Original solution / Rock added: 0.00 (Water/Rock Ratio), log = 0.0000 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 0.8929E-67 1.0000 0.3083E-01 0.3083E-01 CO2,gas 0.2683E-71 1.0000 0.9265E-06 0.9265E-06 CH4,gas 0.3667-213 1.0000 0.1266-147 0.1266-147 H2,gas 0.1869-106 1.0000 0.6455E-41 0.6455E-41 H2S,gas 0.3710-222 1.0000 0.1281-156 0.1281-156 S2,gas 0.4447-322 1.0000 0.1539-256 0.1539-256 CO,gas 0.5414-116 1.0000 0.1870E-50 0.1870E-50 NO2,gas 0.6988-100 1.0000 0.2413E-34 0.2413E-34 SO3,gas 0.7408-123 1.0000 0.2558E-57 0.2558E-57 O2,gas 0.1000E+01 1.0000 0.3453E+66 0.3453E+66 NH3,gas 0.4271-149 1.0000 0.1475E-83 0.1475E-83 N2,gas 0.4079-115 1.0000 0.1408E-49 0.1408E-49 SO2,gas 0.6693-135 1.0000 0.2311E-69 0.2311E-69 HF,gas 0.4684E-80 1.0000 0.1617E-14 0.1617E-14 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 -13.85 -6.03 -2.011 0.82309E+04 -6.033 3 CH4,gas 2.98 -144.92 -147.90 -36.974 0.20177E+06 -147.898 4 H2,gas 8.42 -32.77 -41.19 -23.537 0.56195E+05 -41.190 5 H2S,gas -7.90 -164.79 -156.89 -78.446 0.21405E+06 -156.892 6 S2,gas -7.24 -264.05 -256.81 -39.510 0.35037E+06 -256.813 7 CO,gas 4.11 -46.61 -50.73 -15.609 0.69208E+05 -50.728 8 NO2,gas 76.52 41.90 -34.62 -7.913 0.47228E+05 -34.617 9 SO3,gas 23.88 -33.72 -57.59 -14.398 0.78572E+05 -57.592 10 O2,gas 66.26 65.54 -0.72 -0.480 0.98202E+03 -0.720 11 NH3,gas 11.04 -72.79 -83.83 -41.916 0.11437E+06 -83.831 12 N2,gas 2.57 -47.28 -49.85 -6.432 0.68011E+05 -49.851 13 SO2,gas 3.15 -66.49 -69.64 -18.570 0.95004E+05 -69.636 14 HF,gas 1.11 -13.68 -14.79 -7.396 0.20179E+05 -14.791 15 HCl,gas 6.31 -13.68 -19.99 -9.993 0.27267E+05 -19.986 Calculations done for 25.0000 Deg. C; 1.0000 bar Next reactant titration increment of: 0.0000000 MOLES Current total amount of reactant added: 0.0000000 MOLES New total amount of reactant added: 0.0000000 MOLES Solids and gases carried Charge balance check after fractionation or titration: TBAL = -.1015E-19 ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ Merapi workup for air saturated water (ASW). Oxygen part already done in Solveq. Now add N2 ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ Number of loops used = 6 Loop limit = 400 Temperature = 25.00 C Pressure = 1.00 bar Mixer fraction = 0.0000000 Water: Moles liquid = 0.5551E+02 kg liquid = 0.1000E+01 Moles total = 0.5551E+02 kg total = 0.1000E+01 Activity = 1.0000 Stoichiometric ionic strength = .1802000E-03 Osmotic coef. = 0.9898 True ionic strength = .3168084E-06 Chg. balance for total moles = -.1015E-19 Max. difference allowed = 0.1000E-10 Log Log Log Species(n) Molality Molality Activity Activity Gamma Gamma 1 H+ 0.21679E-06 -6.6640 0.21282E-06 -6.6720 0.98165E+00 -0.0080 2 H2O 0.10000E+01 0.0000 0.10000E+01 0.0000 3 Cl- 0.10000E-06 -7.0000 0.98165E-07 -7.0080 0.98165E+00 -0.0080 4 SO4-- 0.43228E-20 -20.3642 0.42351E-20 -20.3731 0.97971E+00 -0.0089 5 HCO3- 0.68372E-07 -7.1651 0.67118E-07 -7.1732 0.98165E+00 -0.0080 6 HS- 0.77006-158 -158.1135 0.75594-158 -158.1215 0.98165E+00 -0.0080 7 Na+ 0.10000E-06 -7.0000 0.98165E-07 -7.0080 0.98165E+00 -0.0080 8 F- 0.99969E-07 -7.0001 0.98135E-07 -7.0082 0.98165E+00 -0.0080 9 NH4+ 0.37077E-79 -79.4309 0.36396E-79 -79.4389 0.98165E+00 -0.0080 10 CH4,aq 0.15328-150 -150.8145 0.15327-150 -150.8145 0.99996E+00 0.0000 15 CO,aq 0.18397E-53 -53.7353 0.18397E-53 -53.7353 0.10000E+01 0.0000 16 CO2,aq 0.31613E-07 -7.5001 0.31611E-07 -7.5002 0.99996E+00 0.0000 17 CO3-2 0.15092E-10 -10.8213 0.14785E-10 -10.8302 0.97971E+00 -0.0089 18 HCN,aq 0.13893-140 -140.8572 0.13893-140 -140.8572 0.10000E+01 0.0000 19 CN- 0.38622-143 -143.4132 0.37914-143 -143.4212 0.98165E+00 -0.0080 20 OCN- 0.30898E-96 -96.5101 0.30331E-96 -96.5181 0.98165E+00 -0.0080 22 HCl,aq 0.40734E-14 -14.3900 0.40734E-14 -14.3900 0.10000E+01 0.0000 23 HClO,aq 0.90794E-23 -23.0419 0.90794E-23 -23.0419 0.10000E+01 0.0000 24 ClO- 0.12249E-23 -23.9119 0.12024E-23 -23.9199 0.98165E+00 -0.0080 25 HClO2,aq 0.37252E-38 -38.4288 0.37252E-38 -38.4288 0.10000E+01 0.0000 26 HF,aq 0.30749E-10 -10.5122 0.30749E-10 -10.5122 0.10000E+01 0.0000 27 HF2- 0.74250E-18 -18.1293 0.72887E-18 -18.1373 0.98165E+00 -0.0080 28 H2,aq 0.50573E-44 -44.2961 0.50571E-44 -44.2961 0.99996E+00 0.0000 29 NH3,aq 0.98191E-82 -82.0079 0.98187E-82 -82.0079 0.99996E+00 0.0000 30 HNO2,aq 0.44910E-37 -37.3477 0.44910E-37 -37.3477 0.10000E+01 0.0000 31 NO2- 0.12805E-33 -33.8926 0.12570E-33 -33.9007 0.98165E+00 -0.0080 32 HNO3,aq 0.35436E-28 -28.4506 0.35436E-28 -28.4506 0.10000E+01 0.0000 33 NO3- 0.34000E-20 -20.4685 0.33376E-20 -20.4766 0.98165E+00 -0.0080 34 N2,aq 0.10338E-52 -52.9856 0.10337E-52 -52.9856 0.99996E+00 0.0000 35 N2O2-2 0.20155-102 -102.6956 0.19746-102 -102.7045 0.97971E+00 -0.0089 36 HN2O2- 0.42319E-98 -98.3735 0.41542E-98 -98.3815 0.98165E+00 -0.0080 37 H2N2O2,aq 0.96271E-98 -98.0165 0.96271E-98 -98.0165 0.10000E+01 0.0000 38 N2H5+ 0.51791-153 -153.2857 0.50840-153 -153.2938 0.98165E+00 -0.0080 39 N2H6+2 0.10378-160 -160.9839 0.10167-160 -160.9928 0.97971E+00 -0.0089 40 NaCl,aq 0.16103E-14 -14.7931 0.16103E-14 -14.7931 0.10000E+01 0.0000 41 NaF,aq 0.96779E-15 -15.0142 0.96779E-15 -15.0142 0.10000E+01 0.0000 42 NaOH,aq 0.28771E-14 -14.5410 0.28771E-14 -14.5410 0.10000E+01 0.0000 43 O2,aq 0.24000E-03 -3.6198 0.23999E-03 -3.6198 0.99996E+00 0.0000 44 OH- 0.48422E-07 -7.3150 0.47533E-07 -7.3230 0.98165E+00 -0.0080 45 HO2- 0.36403E-23 -23.4389 0.35735E-23 -23.4469 0.98165E+00 -0.0080 46 H2O2,aq 0.36736E-18 -18.4349 0.36736E-18 -18.4349 0.10000E+01 0.0000 47 H2S,aq 0.15650-157 -157.8055 0.15649-157 -157.8055 0.99996E+00 0.0000 53 SO2,aq 0.34180E-69 -69.4662 0.34180E-69 -69.4662 0.10000E+01 0.0000 54 SO3-2 0.66324E-65 -65.1783 0.64979E-65 -65.1872 0.97971E+00 -0.0089 55 HSO3- 0.22585E-64 -64.6462 0.22170E-64 -64.6542 0.98165E+00 -0.0080 56 HSO4- 0.87481E-25 -25.0581 0.85876E-25 -25.0661 0.98165E+00 -0.0080 57 HSO5- 0.73453E-46 -46.1340 0.72105E-46 -46.1420 0.98165E+00 -0.0080 58 S2O3-2 0.41712-180 -180.3797 0.40865-180 -180.3886 0.97971E+00 -0.0089 59 HS2O3- 0.42894-185 -185.3676 0.42107-185 -185.3756 0.98165E+00 -0.0080 60 H2S2O3,aq 0.34623-191 -191.4606 0.34623-191 -191.4606 0.10000E+01 0.0000 61 S2O4-2 0.78047-167 -167.1076 0.76463-167 -167.1165 0.97971E+00 -0.0089 62 HS2O4- 0.51582-171 -171.2875 0.50636-171 -171.2955 0.98165E+00 -0.0080 63 H2S2O4,aq 0.25030-177 -177.6015 0.25030-177 -177.6015 0.10000E+01 0.0000 64 S2O5-2 0.76463-134 -134.1166 0.74911-134 -134.1255 0.97971E+00 -0.0089 65 S2O6-2 0.20349-103 -103.6915 0.19936-103 -103.7004 0.97971E+00 -0.0089 66 S2O8-2 0.40620E-78 -78.3913 0.39796E-78 -78.4002 0.97971E+00 -0.0089 Charge balance for all species = -.3536E-19 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. Reactant consumed: 0.0000000 moles log = -20.7696 Original solution: 0.0000000 g Original solution / Rock added: 0.00 (Water/Rock Ratio), log = 0.0000 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 0.8929E-67 1.0000 0.3083E-01 0.3083E-01 CO2,gas 0.2683E-71 1.0000 0.9265E-06 0.9265E-06 CH4,gas 0.3667-213 1.0000 0.1266-147 0.1266-147 H2,gas 0.1869-106 1.0000 0.6455E-41 0.6455E-41 H2S,gas 0.3709-222 1.0000 0.1281-156 0.1281-156 S2,gas 0.4447-322 1.0000 0.1539-256 0.1539-256 CO,gas 0.5414-116 1.0000 0.1870E-50 0.1870E-50 NO2,gas 0.7425-100 1.0000 0.2564E-34 0.2564E-34 SO3,gas 0.7408-123 1.0000 0.2558E-57 0.2558E-57 O2,gas 0.1000E+01 1.0000 0.3453E+66 0.3453E+66 NH3,gas 0.4538-149 1.0000 0.1567E-83 0.1567E-83 N2,gas 0.4605-115 1.0000 0.1590E-49 0.1590E-49 SO2,gas 0.6692-135 1.0000 0.2311E-69 0.2311E-69 HF,gas 0.4684E-80 1.0000 0.1617E-14 0.1617E-14 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 -13.85 -6.03 -2.011 0.82309E+04 -6.033 3 CH4,gas 2.98 -144.92 -147.90 -36.974 0.20177E+06 -147.898 4 H2,gas 8.42 -32.77 -41.19 -23.537 0.56195E+05 -41.190 5 H2S,gas -7.90 -164.79 -156.89 -78.446 0.21405E+06 -156.893 6 S2,gas -7.24 -264.05 -256.81 -39.510 0.35037E+06 -256.813 7 CO,gas 4.11 -46.61 -50.73 -15.609 0.69208E+05 -50.728 8 NO2,gas 76.52 41.92 -34.59 -7.907 0.47192E+05 -34.591 9 SO3,gas 23.88 -33.72 -57.59 -14.398 0.78572E+05 -57.592 10 O2,gas 66.26 65.54 -0.72 -0.480 0.98202E+03 -0.720 11 NH3,gas 11.04 -72.77 -83.80 -41.902 0.11433E+06 -83.805 12 N2,gas 2.57 -47.23 -49.80 -6.426 0.67939E+05 -49.799 13 SO2,gas 3.15 -66.49 -69.64 -18.570 0.95004E+05 -69.636 14 HF,gas 1.11 -13.68 -14.79 -7.396 0.20179E+05 -14.791 15 HCl,gas 6.31 -13.68 -19.99 -9.993 0.27267E+05 -19.986 Calculations done for 25.0000 Deg. C; 1.0000 bar Next reactant titration increment of: 0.0000000 MOLES Current total amount of reactant added: 0.0000000 MOLES New total amount of reactant added: 0.0000000 MOLES Solids and gases carried Charge balance check after fractionation or titration: TBAL = -.9953E-20 ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ Merapi workup for air saturated water (ASW). Oxygen part already done in Solveq. Now add N2 ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ Number of loops used = 6 Loop limit = 400 Temperature = 25.00 C Pressure = 1.00 bar Mixer fraction = 0.0000000 Water: Moles liquid = 0.5551E+02 kg liquid = 0.1000E+01 Moles total = 0.5551E+02 kg total = 0.1000E+01 Activity = 1.0000 Stoichiometric ionic strength = .1802000E-03 Osmotic coef. = 0.9898 True ionic strength = .3168084E-06 Chg. balance for total moles = -.9953E-20 Max. difference allowed = 0.1000E-10 Log Log Log Species(n) Molality Molality Activity Activity Gamma Gamma 1 H+ 0.21679E-06 -6.6640 0.21282E-06 -6.6720 0.98165E+00 -0.0080 2 H2O 0.10000E+01 0.0000 0.10000E+01 0.0000 3 Cl- 0.10000E-06 -7.0000 0.98165E-07 -7.0080 0.98165E+00 -0.0080 4 SO4-- 0.43226E-20 -20.3643 0.42349E-20 -20.3732 0.97971E+00 -0.0089 5 HCO3- 0.68372E-07 -7.1651 0.67118E-07 -7.1732 0.98165E+00 -0.0080 6 HS- 0.77003-158 -158.1135 0.75590-158 -158.1215 0.98165E+00 -0.0080 7 Na+ 0.10000E-06 -7.0000 0.98165E-07 -7.0080 0.98165E+00 -0.0080 8 F- 0.99969E-07 -7.0001 0.98135E-07 -7.0082 0.98165E+00 -0.0080 9 NH4+ 0.39258E-79 -79.4061 0.38537E-79 -79.4141 0.98165E+00 -0.0080 10 CH4,aq 0.15328-150 -150.8145 0.15327-150 -150.8145 0.99996E+00 0.0000 15 CO,aq 0.18397E-53 -53.7353 0.18397E-53 -53.7353 0.10000E+01 0.0000 16 CO2,aq 0.31613E-07 -7.5001 0.31611E-07 -7.5002 0.99996E+00 0.0000 17 CO3-2 0.15092E-10 -10.8213 0.14785E-10 -10.8302 0.97971E+00 -0.0089 18 HCN,aq 0.14710-140 -140.8324 0.14710-140 -140.8324 0.10000E+01 0.0000 19 CN- 0.40894-143 -143.3883 0.40144-143 -143.3964 0.98165E+00 -0.0080 20 OCN- 0.32716E-96 -96.4852 0.32116E-96 -96.4933 0.98165E+00 -0.0080 22 HCl,aq 0.40734E-14 -14.3900 0.40734E-14 -14.3900 0.10000E+01 0.0000 23 HClO,aq 0.90794E-23 -23.0419 0.90794E-23 -23.0419 0.10000E+01 0.0000 24 ClO- 0.12249E-23 -23.9119 0.12024E-23 -23.9199 0.98165E+00 -0.0080 25 HClO2,aq 0.37252E-38 -38.4288 0.37252E-38 -38.4288 0.10000E+01 0.0000 26 HF,aq 0.30749E-10 -10.5122 0.30749E-10 -10.5122 0.10000E+01 0.0000 27 HF2- 0.74250E-18 -18.1293 0.72887E-18 -18.1373 0.98165E+00 -0.0080 28 H2,aq 0.50573E-44 -44.2961 0.50571E-44 -44.2961 0.99996E+00 0.0000 29 NH3,aq 0.10397E-81 -81.9831 0.10396E-81 -81.9831 0.99996E+00 0.0000 30 HNO2,aq 0.47552E-37 -37.3228 0.47552E-37 -37.3228 0.10000E+01 0.0000 31 NO2- 0.13558E-33 -33.8678 0.13310E-33 -33.8758 0.98165E+00 -0.0080 32 HNO3,aq 0.37520E-28 -28.4257 0.37520E-28 -28.4257 0.10000E+01 0.0000 33 NO3- 0.36000E-20 -20.4437 0.35339E-20 -20.4517 0.98165E+00 -0.0080 34 N2,aq 0.11589E-52 -52.9359 0.11589E-52 -52.9360 0.99996E+00 0.0000 35 N2O2-2 0.22596-102 -102.6460 0.22138-102 -102.6549 0.97971E+00 -0.0089 36 HN2O2- 0.47444E-98 -98.3238 0.46573E-98 -98.3319 0.98165E+00 -0.0080 37 H2N2O2,aq 0.10793E-97 -97.9669 0.10793E-97 -97.9669 0.10000E+01 0.0000 38 N2H5+ 0.58063-153 -153.2361 0.56997-153 -153.2441 0.98165E+00 -0.0080 39 N2H6+2 0.11635-160 -160.9342 0.11399-160 -160.9431 0.97971E+00 -0.0089 40 NaCl,aq 0.16103E-14 -14.7931 0.16103E-14 -14.7931 0.10000E+01 0.0000 41 NaF,aq 0.96779E-15 -15.0142 0.96779E-15 -15.0142 0.10000E+01 0.0000 42 NaOH,aq 0.28771E-14 -14.5410 0.28771E-14 -14.5410 0.10000E+01 0.0000 43 O2,aq 0.24000E-03 -3.6198 0.23999E-03 -3.6198 0.99996E+00 0.0000 44 OH- 0.48422E-07 -7.3150 0.47533E-07 -7.3230 0.98165E+00 -0.0080 45 HO2- 0.36403E-23 -23.4389 0.35735E-23 -23.4469 0.98165E+00 -0.0080 46 H2O2,aq 0.36736E-18 -18.4349 0.36736E-18 -18.4349 0.10000E+01 0.0000 47 H2S,aq 0.15649-157 -157.8055 0.15648-157 -157.8055 0.99996E+00 0.0000 53 SO2,aq 0.34179E-69 -69.4662 0.34179E-69 -69.4662 0.10000E+01 0.0000 54 SO3-2 0.66321E-65 -65.1783 0.64975E-65 -65.1873 0.97971E+00 -0.0089 55 HSO3- 0.22584E-64 -64.6462 0.22169E-64 -64.6542 0.98165E+00 -0.0080 56 HSO4- 0.87476E-25 -25.0581 0.85871E-25 -25.0662 0.98165E+00 -0.0080 57 HSO5- 0.73449E-46 -46.1340 0.72102E-46 -46.1421 0.98165E+00 -0.0080 58 S2O3-2 0.41707-180 -180.3798 0.40861-180 -180.3887 0.97971E+00 -0.0089 59 HS2O3- 0.42890-185 -185.3676 0.42103-185 -185.3757 0.98165E+00 -0.0080 60 H2S2O3,aq 0.34619-191 -191.4607 0.34619-191 -191.4607 0.10000E+01 0.0000 61 S2O4-2 0.78039-167 -167.1077 0.76455-167 -167.1166 0.97971E+00 -0.0089 62 HS2O4- 0.51577-171 -171.2875 0.50630-171 -171.2956 0.98165E+00 -0.0080 63 H2S2O4,aq 0.25027-177 -177.6016 0.25027-177 -177.6016 0.10000E+01 0.0000 64 S2O5-2 0.76455-134 -134.1166 0.74904-134 -134.1255 0.97971E+00 -0.0089 65 S2O6-2 0.20347-103 -103.6915 0.19934-103 -103.7004 0.97971E+00 -0.0089 66 S2O8-2 0.40616E-78 -78.3913 0.39792E-78 -78.4002 0.97971E+00 -0.0089 Charge balance for all species = -.2318E-19 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. Reactant consumed: 0.0000000 moles log = -20.7447 Original solution: 0.0000000 g Original solution / Rock added: 0.00 (Water/Rock Ratio), log = 0.0000 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 0.8929E-67 1.0000 0.3083E-01 0.3083E-01 CO2,gas 0.2683E-71 1.0000 0.9265E-06 0.9265E-06 CH4,gas 0.3667-213 1.0000 0.1266-147 0.1266-147 H2,gas 0.1869-106 1.0000 0.6455E-41 0.6455E-41 H2S,gas 0.3709-222 1.0000 0.1281-156 0.1281-156 S2,gas 0.4447-322 1.0000 0.1539-256 0.1539-256 CO,gas 0.5414-116 1.0000 0.1870E-50 0.1870E-50 NO2,gas 0.7862-100 1.0000 0.2715E-34 0.2715E-34 SO3,gas 0.7407-123 1.0000 0.2558E-57 0.2558E-57 O2,gas 0.1000E+01 1.0000 0.3453E+66 0.3453E+66 NH3,gas 0.4805-149 1.0000 0.1659E-83 0.1659E-83 N2,gas 0.5162-115 1.0000 0.1783E-49 0.1783E-49 SO2,gas 0.6692-135 1.0000 0.2311E-69 0.2311E-69 HF,gas 0.4684E-80 1.0000 0.1617E-14 0.1617E-14 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 -13.85 -6.03 -2.011 0.82309E+04 -6.033 3 CH4,gas 2.98 -144.92 -147.90 -36.974 0.20177E+06 -147.898 4 H2,gas 8.42 -32.77 -41.19 -23.537 0.56195E+05 -41.190 5 H2S,gas -7.90 -164.79 -156.89 -78.446 0.21405E+06 -156.893 6 S2,gas -7.24 -264.05 -256.81 -39.510 0.35037E+06 -256.813 7 CO,gas 4.11 -46.61 -50.73 -15.609 0.69208E+05 -50.728 8 NO2,gas 76.52 41.95 -34.57 -7.901 0.47158E+05 -34.566 9 SO3,gas 23.88 -33.72 -57.59 -14.398 0.78572E+05 -57.592 10 O2,gas 66.26 65.54 -0.72 -0.480 0.98202E+03 -0.720 11 NH3,gas 11.04 -72.74 -83.78 -41.890 0.11430E+06 -83.780 12 N2,gas 2.57 -47.18 -49.75 -6.419 0.67872E+05 -49.749 13 SO2,gas 3.15 -66.49 -69.64 -18.570 0.95004E+05 -69.636 14 HF,gas 1.11 -13.68 -14.79 -7.396 0.20179E+05 -14.791 15 HCl,gas 6.31 -13.68 -19.99 -9.993 0.27267E+05 -19.986 Calculations done for 25.0000 Deg. C; 1.0000 bar Next reactant titration increment of: 0.0000000 MOLES Current total amount of reactant added: 0.0000000 MOLES New total amount of reactant added: 0.0000000 MOLES Solids and gases carried Charge balance check after fractionation or titration: TBAL = -.9753E-20 ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ Merapi workup for air saturated water (ASW). Oxygen part already done in Solveq. Now add N2 ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ Number of loops used = 6 Loop limit = 400 Temperature = 25.00 C Pressure = 1.00 bar Mixer fraction = 0.0000000 Water: Moles liquid = 0.5551E+02 kg liquid = 0.1000E+01 Moles total = 0.5551E+02 kg total = 0.1000E+01 Activity = 1.0000 Stoichiometric ionic strength = .1802000E-03 Osmotic coef. = 0.9898 True ionic strength = .3168084E-06 Chg. balance for total moles = -.9753E-20 Max. difference allowed = 0.1000E-10 Log Log Log Species(n) Molality Molality Activity Activity Gamma Gamma 1 H+ 0.21679E-06 -6.6640 0.21282E-06 -6.6720 0.98165E+00 -0.0080 2 H2O 0.10000E+01 0.0000 0.10000E+01 0.0000 3 Cl- 0.10000E-06 -7.0000 0.98165E-07 -7.0080 0.98165E+00 -0.0080 4 SO4-- 0.43224E-20 -20.3643 0.42347E-20 -20.3732 0.97971E+00 -0.0089 5 HCO3- 0.68372E-07 -7.1651 0.67118E-07 -7.1732 0.98165E+00 -0.0080 6 HS- 0.76999-158 -158.1135 0.75586-158 -158.1216 0.98165E+00 -0.0080 7 Na+ 0.10000E-06 -7.0000 0.98165E-07 -7.0080 0.98165E+00 -0.0080 8 F- 0.99969E-07 -7.0001 0.98135E-07 -7.0082 0.98165E+00 -0.0080 9 NH4+ 0.41439E-79 -79.3826 0.40678E-79 -79.3906 0.98165E+00 -0.0080 10 CH4,aq 0.15328-150 -150.8145 0.15327-150 -150.8145 0.99996E+00 0.0000 15 CO,aq 0.18397E-53 -53.7353 0.18397E-53 -53.7353 0.10000E+01 0.0000 16 CO2,aq 0.31613E-07 -7.5001 0.31611E-07 -7.5002 0.99996E+00 0.0000 17 CO3-2 0.15092E-10 -10.8213 0.14785E-10 -10.8302 0.97971E+00 -0.0089 18 HCN,aq 0.15528-140 -140.8089 0.15528-140 -140.8089 0.10000E+01 0.0000 19 CN- 0.43166-143 -143.3649 0.42374-143 -143.3729 0.98165E+00 -0.0080 20 OCN- 0.34533E-96 -96.4618 0.33900E-96 -96.4698 0.98165E+00 -0.0080 22 HCl,aq 0.40734E-14 -14.3900 0.40734E-14 -14.3900 0.10000E+01 0.0000 23 HClO,aq 0.90794E-23 -23.0419 0.90794E-23 -23.0419 0.10000E+01 0.0000 24 ClO- 0.12249E-23 -23.9119 0.12024E-23 -23.9199 0.98165E+00 -0.0080 25 HClO2,aq 0.37252E-38 -38.4288 0.37252E-38 -38.4288 0.10000E+01 0.0000 26 HF,aq 0.30749E-10 -10.5122 0.30749E-10 -10.5122 0.10000E+01 0.0000 27 HF2- 0.74250E-18 -18.1293 0.72887E-18 -18.1373 0.98165E+00 -0.0080 28 H2,aq 0.50573E-44 -44.2961 0.50571E-44 -44.2961 0.99996E+00 0.0000 29 NH3,aq 0.10974E-81 -81.9596 0.10974E-81 -81.9596 0.99996E+00 0.0000 30 HNO2,aq 0.50194E-37 -37.2994 0.50194E-37 -37.2994 0.10000E+01 0.0000 31 NO2- 0.14312E-33 -33.8443 0.14049E-33 -33.8524 0.98165E+00 -0.0080 32 HNO3,aq 0.39605E-28 -28.4023 0.39605E-28 -28.4023 0.10000E+01 0.0000 33 NO3- 0.38000E-20 -20.4202 0.37303E-20 -20.4283 0.98165E+00 -0.0080 34 N2,aq 0.12913E-52 -52.8890 0.12912E-52 -52.8890 0.99996E+00 0.0000 35 N2O2-2 0.25177-102 -102.5990 0.24666-102 -102.6079 0.97971E+00 -0.0089 36 HN2O2- 0.52862E-98 -98.2769 0.51892E-98 -98.2849 0.98165E+00 -0.0080 37 H2N2O2,aq 0.12026E-97 -97.9199 0.12026E-97 -97.9199 0.10000E+01 0.0000 38 N2H5+ 0.64693-153 -153.1891 0.63506-153 -153.1972 0.98165E+00 -0.0080 39 N2H6+2 0.12964-160 -160.8873 0.12701-160 -160.8962 0.97971E+00 -0.0089 40 NaCl,aq 0.16103E-14 -14.7931 0.16103E-14 -14.7931 0.10000E+01 0.0000 41 NaF,aq 0.96779E-15 -15.0142 0.96779E-15 -15.0142 0.10000E+01 0.0000 42 NaOH,aq 0.28771E-14 -14.5410 0.28771E-14 -14.5410 0.10000E+01 0.0000 43 O2,aq 0.24000E-03 -3.6198 0.23999E-03 -3.6198 0.99996E+00 0.0000 44 OH- 0.48422E-07 -7.3150 0.47533E-07 -7.3230 0.98165E+00 -0.0080 45 HO2- 0.36403E-23 -23.4389 0.35735E-23 -23.4469 0.98165E+00 -0.0080 46 H2O2,aq 0.36736E-18 -18.4349 0.36736E-18 -18.4349 0.10000E+01 0.0000 47 H2S,aq 0.15648-157 -157.8055 0.15647-157 -157.8056 0.99996E+00 0.0000 53 SO2,aq 0.34177E-69 -69.4663 0.34177E-69 -69.4663 0.10000E+01 0.0000 54 SO3-2 0.66318E-65 -65.1784 0.64972E-65 -65.1873 0.97971E+00 -0.0089 55 HSO3- 0.22583E-64 -64.6462 0.22168E-64 -64.6543 0.98165E+00 -0.0080 56 HSO4- 0.87472E-25 -25.0581 0.85867E-25 -25.0662 0.98165E+00 -0.0080 57 HSO5- 0.73446E-46 -46.1340 0.72098E-46 -46.1421 0.98165E+00 -0.0080 58 S2O3-2 0.41703-180 -180.3798 0.40857-180 -180.3887 0.97971E+00 -0.0089 59 HS2O3- 0.42886-185 -185.3677 0.42099-185 -185.3757 0.98165E+00 -0.0080 60 H2S2O3,aq 0.34616-191 -191.4607 0.34616-191 -191.4607 0.10000E+01 0.0000 61 S2O4-2 0.78031-167 -167.1077 0.76448-167 -167.1166 0.97971E+00 -0.0089 62 HS2O4- 0.51572-171 -171.2876 0.50625-171 -171.2956 0.98165E+00 -0.0080 63 H2S2O4,aq 0.25025-177 -177.6016 0.25025-177 -177.6016 0.10000E+01 0.0000 64 S2O5-2 0.76447-134 -134.1166 0.74896-134 -134.1255 0.97971E+00 -0.0089 65 S2O6-2 0.20345-103 -103.6915 0.19932-103 -103.7004 0.97971E+00 -0.0089 66 S2O8-2 0.40612E-78 -78.3913 0.39788E-78 -78.4003 0.97971E+00 -0.0089 Charge balance for all species = -.4101E-19 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. Reactant consumed: 0.0000000 moles log = -20.7212 Original solution: 0.0000000 g Original solution / Rock added: 0.00 (Water/Rock Ratio), log = 0.0000 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 0.8929E-67 1.0000 0.3083E-01 0.3083E-01 CO2,gas 0.2683E-71 1.0000 0.9265E-06 0.9265E-06 CH4,gas 0.3667-213 1.0000 0.1266-147 0.1266-147 H2,gas 0.1869-106 1.0000 0.6455E-41 0.6455E-41 H2S,gas 0.3709-222 1.0000 0.1281-156 0.1281-156 S2,gas 0.4447-322 1.0000 0.1538-256 0.1538-256 CO,gas 0.5414-116 1.0000 0.1870E-50 0.1870E-50 NO2,gas 0.8299-100 1.0000 0.2865E-34 0.2865E-34 SO3,gas 0.7407-123 1.0000 0.2558E-57 0.2558E-57 O2,gas 0.1000E+01 1.0000 0.3453E+66 0.3453E+66 NH3,gas 0.5072-149 1.0000 0.1751E-83 0.1751E-83 N2,gas 0.5752-115 1.0000 0.1986E-49 0.1986E-49 SO2,gas 0.6692-135 1.0000 0.2311E-69 0.2311E-69 HF,gas 0.4684E-80 1.0000 0.1617E-14 0.1617E-14 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 -13.85 -6.03 -2.011 0.82309E+04 -6.033 3 CH4,gas 2.98 -144.92 -147.90 -36.974 0.20177E+06 -147.898 4 H2,gas 8.42 -32.77 -41.19 -23.537 0.56195E+05 -41.190 5 H2S,gas -7.90 -164.79 -156.89 -78.446 0.21405E+06 -156.893 6 S2,gas -7.24 -264.05 -256.81 -39.510 0.35037E+06 -256.813 7 CO,gas 4.11 -46.61 -50.73 -15.609 0.69208E+05 -50.728 8 NO2,gas 76.52 41.97 -34.54 -7.895 0.47126E+05 -34.543 9 SO3,gas 23.88 -33.72 -57.59 -14.398 0.78572E+05 -57.592 10 O2,gas 66.26 65.54 -0.72 -0.480 0.98202E+03 -0.720 11 NH3,gas 11.04 -72.72 -83.76 -41.878 0.11427E+06 -83.757 12 N2,gas 2.57 -47.13 -49.70 -6.413 0.67808E+05 -49.702 13 SO2,gas 3.15 -66.49 -69.64 -18.570 0.95004E+05 -69.636 14 HF,gas 1.11 -13.68 -14.79 -7.396 0.20179E+05 -14.791 15 HCl,gas 6.31 -13.68 -19.99 -9.993 0.27267E+05 -19.986 Calculations done for 25.0000 Deg. C; 1.0000 bar Next reactant titration increment of: 0.0000000 MOLES Current total amount of reactant added: 0.0000000 MOLES New total amount of reactant added: 0.0000000 MOLES Solids and gases carried Charge balance check after fractionation or titration: TBAL = -.9553E-20 ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ Merapi workup for air saturated water (ASW). Oxygen part already done in Solveq. Now add N2 ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ Number of loops used = 6 Loop limit = 400 Temperature = 25.00 C Pressure = 1.00 bar Mixer fraction = 0.0000000 Water: Moles liquid = 0.5551E+02 kg liquid = 0.1000E+01 Moles total = 0.5551E+02 kg total = 0.1000E+01 Activity = 1.0000 Stoichiometric ionic strength = .1802000E-03 Osmotic coef. = 0.9898 True ionic strength = .3168084E-06 Chg. balance for total moles = -.9553E-20 Max. difference allowed = 0.1000E-10 Log Log Log Species(n) Molality Molality Activity Activity Gamma Gamma 1 H+ 0.21679E-06 -6.6640 0.21282E-06 -6.6720 0.98165E+00 -0.0080 2 H2O 0.10000E+01 0.0000 0.10000E+01 0.0000 3 Cl- 0.10000E-06 -7.0000 0.98165E-07 -7.0080 0.98165E+00 -0.0080 4 SO4-- 0.43222E-20 -20.3643 0.42345E-20 -20.3732 0.97971E+00 -0.0089 5 HCO3- 0.68372E-07 -7.1651 0.67118E-07 -7.1732 0.98165E+00 -0.0080 6 HS- 0.76995-158 -158.1135 0.75582-158 -158.1216 0.98165E+00 -0.0080 7 Na+ 0.10000E-06 -7.0000 0.98165E-07 -7.0080 0.98165E+00 -0.0080 8 F- 0.99969E-07 -7.0001 0.98135E-07 -7.0082 0.98165E+00 -0.0080 9 NH4+ 0.43620E-79 -79.3603 0.42819E-79 -79.3684 0.98165E+00 -0.0080 10 CH4,aq 0.15328-150 -150.8145 0.15327-150 -150.8145 0.99996E+00 0.0000 15 CO,aq 0.18397E-53 -53.7353 0.18397E-53 -53.7353 0.10000E+01 0.0000 16 CO2,aq 0.31613E-07 -7.5001 0.31611E-07 -7.5002 0.99996E+00 0.0000 17 CO3-2 0.15092E-10 -10.8213 0.14785E-10 -10.8302 0.97971E+00 -0.0089 18 HCN,aq 0.16345-140 -140.7866 0.16345-140 -140.7866 0.10000E+01 0.0000 19 CN- 0.45438-143 -143.3426 0.44604-143 -143.3506 0.98165E+00 -0.0080 20 OCN- 0.36351E-96 -96.4395 0.35684E-96 -96.4475 0.98165E+00 -0.0080 22 HCl,aq 0.40734E-14 -14.3900 0.40734E-14 -14.3900 0.10000E+01 0.0000 23 HClO,aq 0.90794E-23 -23.0419 0.90794E-23 -23.0419 0.10000E+01 0.0000 24 ClO- 0.12249E-23 -23.9119 0.12024E-23 -23.9199 0.98165E+00 -0.0080 25 HClO2,aq 0.37252E-38 -38.4288 0.37252E-38 -38.4288 0.10000E+01 0.0000 26 HF,aq 0.30749E-10 -10.5122 0.30749E-10 -10.5122 0.10000E+01 0.0000 27 HF2- 0.74250E-18 -18.1293 0.72887E-18 -18.1373 0.98165E+00 -0.0080 28 H2,aq 0.50573E-44 -44.2961 0.50571E-44 -44.2961 0.99996E+00 0.0000 29 NH3,aq 0.11552E-81 -81.9373 0.11551E-81 -81.9374 0.99996E+00 0.0000 30 HNO2,aq 0.52835E-37 -37.2771 0.52835E-37 -37.2771 0.10000E+01 0.0000 31 NO2- 0.15065E-33 -33.8220 0.14788E-33 -33.8301 0.98165E+00 -0.0080 32 HNO3,aq 0.41689E-28 -28.3800 0.41689E-28 -28.3800 0.10000E+01 0.0000 33 NO3- 0.40000E-20 -20.3979 0.39266E-20 -20.4060 0.98165E+00 -0.0080 34 N2,aq 0.14308E-52 -52.8444 0.14307E-52 -52.8444 0.99996E+00 0.0000 35 N2O2-2 0.27897-102 -102.5544 0.27331-102 -102.5634 0.97971E+00 -0.0089 36 HN2O2- 0.58573E-98 -98.2323 0.57498E-98 -98.2403 0.98165E+00 -0.0080 37 H2N2O2,aq 0.13325E-97 -97.8753 0.13325E-97 -97.8753 0.10000E+01 0.0000 38 N2H5+ 0.71682-153 -153.1446 0.70367-153 -153.1526 0.98165E+00 -0.0080 39 N2H6+2 0.14364-160 -160.8427 0.14073-160 -160.8516 0.97971E+00 -0.0089 40 NaCl,aq 0.16103E-14 -14.7931 0.16103E-14 -14.7931 0.10000E+01 0.0000 41 NaF,aq 0.96779E-15 -15.0142 0.96779E-15 -15.0142 0.10000E+01 0.0000 42 NaOH,aq 0.28771E-14 -14.5410 0.28771E-14 -14.5410 0.10000E+01 0.0000 43 O2,aq 0.24000E-03 -3.6198 0.23999E-03 -3.6198 0.99996E+00 0.0000 44 OH- 0.48422E-07 -7.3150 0.47533E-07 -7.3230 0.98165E+00 -0.0080 45 HO2- 0.36403E-23 -23.4389 0.35735E-23 -23.4469 0.98165E+00 -0.0080 46 H2O2,aq 0.36736E-18 -18.4349 0.36736E-18 -18.4349 0.10000E+01 0.0000 47 H2S,aq 0.15647-157 -157.8056 0.15647-157 -157.8056 0.99996E+00 0.0000 53 SO2,aq 0.34175E-69 -69.4663 0.34175E-69 -69.4663 0.10000E+01 0.0000 54 SO3-2 0.66314E-65 -65.1784 0.64969E-65 -65.1873 0.97971E+00 -0.0089 55 HSO3- 0.22581E-64 -64.6462 0.22167E-64 -64.6543 0.98165E+00 -0.0080 56 HSO4- 0.87468E-25 -25.0582 0.85863E-25 -25.0662 0.98165E+00 -0.0080 57 HSO5- 0.73442E-46 -46.1341 0.72094E-46 -46.1421 0.98165E+00 -0.0080 58 S2O3-2 0.41699-180 -180.3799 0.40853-180 -180.3888 0.97971E+00 -0.0089 59 HS2O3- 0.42881-185 -185.3677 0.42095-185 -185.3758 0.98165E+00 -0.0080 60 H2S2O3,aq 0.34612-191 -191.4608 0.34612-191 -191.4608 0.10000E+01 0.0000 61 S2O4-2 0.78023-167 -167.1078 0.76440-167 -167.1167 0.97971E+00 -0.0089 62 HS2O4- 0.51566-171 -171.2876 0.50620-171 -171.2957 0.98165E+00 -0.0080 63 H2S2O4,aq 0.25022-177 -177.6017 0.25022-177 -177.6017 0.10000E+01 0.0000 64 S2O5-2 0.76440-134 -134.1167 0.74889-134 -134.1256 0.97971E+00 -0.0089 65 S2O6-2 0.20343-103 -103.6916 0.19930-103 -103.7005 0.97971E+00 -0.0089 66 S2O8-2 0.40608E-78 -78.3914 0.39784E-78 -78.4003 0.97971E+00 -0.0089 Charge balance for all species = -.2978E-19 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. Reactant consumed: 0.0000000 moles log = -20.6990 Original solution: 0.0000000 g Original solution / Rock added: 0.00 (Water/Rock Ratio), log = 0.0000 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 0.8929E-67 1.0000 0.3083E-01 0.3083E-01 CO2,gas 0.2683E-71 1.0000 0.9265E-06 0.9265E-06 CH4,gas 0.3667-213 1.0000 0.1266-147 0.1266-147 H2,gas 0.1869-106 1.0000 0.6455E-41 0.6455E-41 H2S,gas 0.3709-222 1.0000 0.1281-156 0.1281-156 S2,gas 0.4447-322 1.0000 0.1538-256 0.1538-256 CO,gas 0.5414-116 1.0000 0.1870E-50 0.1870E-50 NO2,gas 0.8735-100 1.0000 0.3016E-34 0.3016E-34 SO3,gas 0.7407-123 1.0000 0.2557E-57 0.2557E-57 O2,gas 0.1000E+01 1.0000 0.3453E+66 0.3453E+66 NH3,gas 0.5339-149 1.0000 0.1843E-83 0.1843E-83 N2,gas 0.6373-115 1.0000 0.2201E-49 0.2201E-49 SO2,gas 0.6691-135 1.0000 0.2311E-69 0.2311E-69 HF,gas 0.4684E-80 1.0000 0.1617E-14 0.1617E-14 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 -13.85 -6.03 -2.011 0.82309E+04 -6.033 3 CH4,gas 2.98 -144.92 -147.90 -36.974 0.20177E+06 -147.898 4 H2,gas 8.42 -32.77 -41.19 -23.537 0.56195E+05 -41.190 5 H2S,gas -7.90 -164.79 -156.89 -78.446 0.21405E+06 -156.893 6 S2,gas -7.24 -264.05 -256.81 -39.510 0.35037E+06 -256.813 7 CO,gas 4.11 -46.61 -50.73 -15.609 0.69208E+05 -50.728 8 NO2,gas 76.52 42.00 -34.52 -7.890 0.47096E+05 -34.521 9 SO3,gas 23.88 -33.72 -57.59 -14.398 0.78572E+05 -57.592 10 O2,gas 66.26 65.54 -0.72 -0.480 0.98202E+03 -0.720 11 NH3,gas 11.04 -72.70 -83.73 -41.867 0.11424E+06 -83.734 12 N2,gas 2.57 -47.09 -49.66 -6.407 0.67747E+05 -49.657 13 SO2,gas 3.15 -66.49 -69.64 -18.570 0.95004E+05 -69.636 14 HF,gas 1.11 -13.68 -14.79 -7.396 0.20179E+05 -14.791 15 HCl,gas 6.31 -13.68 -19.99 -9.993 0.27267E+05 -19.986 Calculations done for 25.0000 Deg. C; 1.0000 bar Next reactant titration increment of: 0.0000000 MOLES Current total amount of reactant added: 0.0000000 MOLES New total amount of reactant added: 0.0000000 MOLES Solids and gases carried Charge balance check after fractionation or titration: TBAL = -.9353E-20 ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ Merapi workup for air saturated water (ASW). Oxygen part already done in Solveq. Now add N2 ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ Number of loops used = 6 Loop limit = 400 Temperature = 25.00 C Pressure = 1.00 bar Mixer fraction = 0.0000000 Water: Moles liquid = 0.5551E+02 kg liquid = 0.1000E+01 Moles total = 0.5551E+02 kg total = 0.1000E+01 Activity = 1.0000 Stoichiometric ionic strength = .1802000E-03 Osmotic coef. = 0.9898 True ionic strength = .3168084E-06 Chg. balance for total moles = -.9353E-20 Max. difference allowed = 0.1000E-10 Log Log Log Species(n) Molality Molality Activity Activity Gamma Gamma 1 H+ 0.21679E-06 -6.6640 0.21282E-06 -6.6720 0.98165E+00 -0.0080 2 H2O 0.10000E+01 0.0000 0.10000E+01 0.0000 3 Cl- 0.10000E-06 -7.0000 0.98165E-07 -7.0080 0.98165E+00 -0.0080 4 SO4-- 0.43220E-20 -20.3643 0.42343E-20 -20.3732 0.97971E+00 -0.0089 5 HCO3- 0.68372E-07 -7.1651 0.67118E-07 -7.1732 0.98165E+00 -0.0080 6 HS- 0.76991-158 -158.1136 0.75578-158 -158.1216 0.98165E+00 -0.0080 7 Na+ 0.10000E-06 -7.0000 0.98165E-07 -7.0080 0.98165E+00 -0.0080 8 F- 0.99969E-07 -7.0001 0.98135E-07 -7.0082 0.98165E+00 -0.0080 9 NH4+ 0.45801E-79 -79.3391 0.44960E-79 -79.3472 0.98165E+00 -0.0080 10 CH4,aq 0.15328-150 -150.8145 0.15327-150 -150.8145 0.99996E+00 0.0000 15 CO,aq 0.18397E-53 -53.7353 0.18397E-53 -53.7353 0.10000E+01 0.0000 16 CO2,aq 0.31613E-07 -7.5001 0.31611E-07 -7.5002 0.99996E+00 0.0000 17 CO3-2 0.15092E-10 -10.8213 0.14785E-10 -10.8302 0.97971E+00 -0.0089 18 HCN,aq 0.17162-140 -140.7654 0.17162-140 -140.7654 0.10000E+01 0.0000 19 CN- 0.47710-143 -143.3214 0.46835-143 -143.3294 0.98165E+00 -0.0080 20 OCN- 0.38168E-96 -96.4183 0.37468E-96 -96.4263 0.98165E+00 -0.0080 22 HCl,aq 0.40734E-14 -14.3900 0.40734E-14 -14.3900 0.10000E+01 0.0000 23 HClO,aq 0.90794E-23 -23.0419 0.90794E-23 -23.0419 0.10000E+01 0.0000 24 ClO- 0.12249E-23 -23.9119 0.12024E-23 -23.9199 0.98165E+00 -0.0080 25 HClO2,aq 0.37252E-38 -38.4288 0.37252E-38 -38.4288 0.10000E+01 0.0000 26 HF,aq 0.30749E-10 -10.5122 0.30749E-10 -10.5122 0.10000E+01 0.0000 27 HF2- 0.74250E-18 -18.1293 0.72887E-18 -18.1373 0.98165E+00 -0.0080 28 H2,aq 0.50573E-44 -44.2961 0.50571E-44 -44.2961 0.99996E+00 0.0000 29 NH3,aq 0.12129E-81 -81.9162 0.12129E-81 -81.9162 0.99996E+00 0.0000 30 HNO2,aq 0.55477E-37 -37.2559 0.55477E-37 -37.2559 0.10000E+01 0.0000 31 NO2- 0.15818E-33 -33.8008 0.15528E-33 -33.8089 0.98165E+00 -0.0080 32 HNO3,aq 0.43773E-28 -28.3588 0.43773E-28 -28.3588 0.10000E+01 0.0000 33 NO3- 0.42000E-20 -20.3768 0.41229E-20 -20.3848 0.98165E+00 -0.0080 34 N2,aq 0.15775E-52 -52.8020 0.15774E-52 -52.8021 0.99996E+00 0.0000 35 N2O2-2 0.30756-102 -102.5121 0.30132-102 -102.5210 0.97971E+00 -0.0089 36 HN2O2- 0.64576E-98 -98.1899 0.63392E-98 -98.1980 0.98165E+00 -0.0080 37 H2N2O2,aq 0.14690E-97 -97.8330 0.14690E-97 -97.8330 0.10000E+01 0.0000 38 N2H5+ 0.79030-153 -153.1022 0.77580-153 -153.1103 0.98165E+00 -0.0080 39 N2H6+2 0.15836-160 -160.8003 0.15515-160 -160.8092 0.97971E+00 -0.0089 40 NaCl,aq 0.16103E-14 -14.7931 0.16103E-14 -14.7931 0.10000E+01 0.0000 41 NaF,aq 0.96779E-15 -15.0142 0.96779E-15 -15.0142 0.10000E+01 0.0000 42 NaOH,aq 0.28771E-14 -14.5410 0.28771E-14 -14.5410 0.10000E+01 0.0000 43 O2,aq 0.24000E-03 -3.6198 0.23999E-03 -3.6198 0.99996E+00 0.0000 44 OH- 0.48422E-07 -7.3150 0.47533E-07 -7.3230 0.98165E+00 -0.0080 45 HO2- 0.36403E-23 -23.4389 0.35735E-23 -23.4469 0.98165E+00 -0.0080 46 H2O2,aq 0.36736E-18 -18.4349 0.36736E-18 -18.4349 0.10000E+01 0.0000 47 H2S,aq 0.15647-157 -157.8056 0.15646-157 -157.8056 0.99996E+00 0.0000 53 SO2,aq 0.34174E-69 -69.4663 0.34174E-69 -69.4663 0.10000E+01 0.0000 54 SO3-2 0.66311E-65 -65.1784 0.64965E-65 -65.1873 0.97971E+00 -0.0089 55 HSO3- 0.22580E-64 -64.6463 0.22166E-64 -64.6543 0.98165E+00 -0.0080 56 HSO4- 0.87463E-25 -25.0582 0.85858E-25 -25.0662 0.98165E+00 -0.0080 57 HSO5- 0.73438E-46 -46.1341 0.72091E-46 -46.1421 0.98165E+00 -0.0080 58 S2O3-2 0.41695-180 -180.3799 0.40849-180 -180.3888 0.97971E+00 -0.0089 59 HS2O3- 0.42877-185 -185.3678 0.42090-185 -185.3758 0.98165E+00 -0.0080 60 H2S2O3,aq 0.34609-191 -191.4608 0.34609-191 -191.4608 0.10000E+01 0.0000 61 S2O4-2 0.78015-167 -167.1078 0.76432-167 -167.1167 0.97971E+00 -0.0089 62 HS2O4- 0.51561-171 -171.2877 0.50615-171 -171.2957 0.98165E+00 -0.0080 63 H2S2O4,aq 0.25020-177 -177.6017 0.25020-177 -177.6017 0.10000E+01 0.0000 64 S2O5-2 0.76432-134 -134.1167 0.74881-134 -134.1256 0.97971E+00 -0.0089 65 S2O6-2 0.20341-103 -103.6916 0.19928-103 -103.7005 0.97971E+00 -0.0089 66 S2O8-2 0.40604E-78 -78.3914 0.39780E-78 -78.4003 0.97971E+00 -0.0089 Charge balance for all species = -.3268E-19 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. Reactant consumed: 0.0000000 moles log = -20.6778 Original solution: 0.0000000 g Original solution / Rock added: 0.00 (Water/Rock Ratio), log = 0.0000 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 0.8929E-67 1.0000 0.3083E-01 0.3083E-01 CO2,gas 0.2683E-71 1.0000 0.9265E-06 0.9265E-06 CH4,gas 0.3667-213 1.0000 0.1266-147 0.1266-147 H2,gas 0.1869-106 1.0000 0.6455E-41 0.6455E-41 H2S,gas 0.3709-222 1.0000 0.1281-156 0.1281-156 S2,gas 0.4447-322 1.0000 0.1538-256 0.1538-256 CO,gas 0.5414-116 1.0000 0.1870E-50 0.1870E-50 NO2,gas 0.9172-100 1.0000 0.3167E-34 0.3167E-34 SO3,gas 0.7406-123 1.0000 0.2557E-57 0.2557E-57 O2,gas 0.1000E+01 1.0000 0.3453E+66 0.3453E+66 NH3,gas 0.5606-149 1.0000 0.1936E-83 0.1936E-83 N2,gas 0.7027-115 1.0000 0.2426E-49 0.2426E-49 SO2,gas 0.6691-135 1.0000 0.2310E-69 0.2310E-69 HF,gas 0.4684E-80 1.0000 0.1617E-14 0.1617E-14 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 -13.85 -6.03 -2.011 0.82309E+04 -6.033 3 CH4,gas 2.98 -144.92 -147.90 -36.974 0.20177E+06 -147.898 4 H2,gas 8.42 -32.77 -41.19 -23.537 0.56195E+05 -41.190 5 H2S,gas -7.90 -164.79 -156.89 -78.446 0.21405E+06 -156.893 6 S2,gas -7.24 -264.05 -256.81 -39.510 0.35037E+06 -256.813 7 CO,gas 4.11 -46.61 -50.73 -15.609 0.69208E+05 -50.728 8 NO2,gas 76.52 42.02 -34.50 -7.886 0.47067E+05 -34.499 9 SO3,gas 23.88 -33.72 -57.59 -14.398 0.78572E+05 -57.592 10 O2,gas 66.26 65.54 -0.72 -0.480 0.98202E+03 -0.720 11 NH3,gas 11.04 -72.68 -83.71 -41.857 0.11421E+06 -83.713 12 N2,gas 2.57 -47.04 -49.62 -6.402 0.67689E+05 -49.615 13 SO2,gas 3.15 -66.49 -69.64 -18.570 0.95004E+05 -69.636 14 HF,gas 1.11 -13.68 -14.79 -7.396 0.20179E+05 -14.791 15 HCl,gas 6.31 -13.68 -19.99 -9.993 0.27267E+05 -19.986 Calculations done for 25.0000 Deg. C; 1.0000 bar Next reactant titration increment of: 0.0000000 MOLES Current total amount of reactant added: 0.0000000 MOLES New total amount of reactant added: 0.0000000 MOLES Solids and gases carried Charge balance check after fractionation or titration: TBAL = -.9153E-20 ******** WARNING ******** Computational singularity, IV(N) = 0.0