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. 0.12000E-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 HS- 5 -1. -0.12000E-03 0.36416-158 0.9818 0.00000000E+00 Na+ 6 1. 0.10000E-06 0.10000E-06 0.9818 0.00000000E+00 NH4+ 7 1. 0.10000E-49 0.24356-109 0.9818 0.00000000E+00 Chg. balance for total moles = -.2435E-20 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) HCl,aq 8 0. 0.7100 S2-2 31 -2. 1.3120 HClO,aq 9 0. 42.1310 S3-2 32 -2. -10.2330 ClO- 10 -1. 49.6810 S3- 33 -1. -17.6990 HClO2,aq 11 0. 90.2870 S4-2 34 -2. -21.5580 H2,aq 12 0. 11.5270 S5-2 35 -2. -32.6630 NH3,aq 13 0. 9.2410 SO2,aq 36 0. 2.9800 HNO2,aq 14 0. 62.8880 SO3-2 37 -2. 12.0450 NO2- 15 -1. 66.1130 HSO3- 38 -1. 4.8400 HNO3,aq 16 0. 86.7600 HSO4- 39 -1. -1.9790 NO3- 17 -1. 85.4580 HSO5- 40 -1. 51.8660 N2,aq 18 0. 5.7590 S2O3-2 41 -2. -4.7780 N2O2-2 19 -2. 101.5910 HS2O3- 42 -1. -6.4630 HN2O2- 20 -1. 90.5960 H2S2O3,aq 43 0. -7.0500 H2N2O2,aq 21 0. 83.5590 S2O4-2 44 -2. 14.7190 N2H5+ 22 1. 33.8570 HS2O4- 45 -1. 12.2260 N2H6+2 23 2. 34.8840 H2S2O4,aq 46 0. 11.8600 NaCl,aq 24 0. 0.7770 S2O5-2 47 -2. 14.4970 NaOH,aq 25 0. 14.2050 S2O6-2 48 -2. 16.8410 O2,aq 26 0. 69.1580 S2O8-2 49 -2. 57.0790 OH- 27 -1. 13.9950 S3O6-2 50 -2. 7.7880 HO2- 28 -1. 62.8880 S4O6-2 51 -2. -17.1710 H2O2,aq 29 0. 51.2040 S5O6-2 52 -2. -13.2500 H2S,aq 30 0. -6.9880 53 0. 13.0680 For mixed gases (JSOLS=6), log K(hydrol) = log (K*P) Log K Trial Log K Trial Mineral No. hydrol Moles Mineral No. hydrol Moles H2O,gas 1 1.511 0.0000E+00 N2,gas 9 2.572 0.0000E+00 H2,gas 2 8.421 0.0000E+00 SO2,gas 10 3.150 0.0000E+00 H2S,gas 3 -7.901 0.0000E+00 HCl,gas 11 6.306 0.0000E+00 S2,gas 4 -7.236 0.0000E+00 halite 12 1.572 0.0000E+00 NO2,gas 5 76.516 0.0000E+00 sulfur 13 -10.519 0.0000E+00 SO3,gas 6 23.875 0.0000E+00 mascagnite 14 -0.023 0.0000E+00 O2,gas 7 66.258 0.0000E+00 niter-Na 15 81.636 0.0000E+00 NH3,gas 8 11.038 0.0000E+00 sodium-oxide 16 67.427 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 H2,gas 6 H2S,gas 6 S2,gas 6 NO2,gas 6 SO3,gas 6 NH3,gas 6 N2,gas 6 SO2,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 = .1801000E-03 Osmotic coef. = 0.9898 True ionic strength = .2024437E-06 Chg. balance for total moles = -.2435E-20 Max. difference allowed = 0.1000E-10 Log Log Log Species(n) Molality Molality Activity Activity Gamma Gamma 1 H+ 0.10244E-06 -6.9895 0.10058E-06 -6.9975 0.98178E+00 -0.0080 2 H2O 0.10000E+01 0.0000 0.10000E+01 0.0000 3 Cl- 0.10000E-06 -7.0000 0.98178E-07 -7.0080 0.98178E+00 -0.0080 4 SO4-- 0.43236E-20 -20.3642 0.42382E-20 -20.3728 0.98023E+00 -0.0087 5 HS- 0.36415-158 -158.4387 0.35751-158 -158.4467 0.98178E+00 -0.0080 6 Na+ 0.10000E-06 -7.0000 0.98178E-07 -7.0080 0.98178E+00 -0.0080 7 NH4+ 0.24356-109 -109.6134 0.23913-109 -109.6214 0.98178E+00 -0.0080 8 HCl,aq 0.19254E-14 -14.7155 0.19254E-14 -14.7155 0.10000E+01 0.0000 9 HClO,aq 0.42915E-23 -23.3674 0.42915E-23 -23.3674 0.10000E+01 0.0000 10 ClO- 0.12249E-23 -23.9119 0.12026E-23 -23.9199 0.98178E+00 -0.0080 11 HClO2,aq 0.17608E-38 -38.7543 0.17608E-38 -38.7543 0.10000E+01 0.0000 12 H2,aq 0.50573E-44 -44.2961 0.50571E-44 -44.2961 0.99996E+00 0.0000 13 NH3,aq 0.13650-111 -111.8649 0.13650-111 -111.8649 0.99996E+00 0.0000 14 HNO2,aq 0.62434E-67 -67.2046 0.62434E-67 -67.2046 0.10000E+01 0.0000 15 NO2- 0.37662E-63 -63.4241 0.36976E-63 -63.4321 0.98178E+00 -0.0080 16 HNO3,aq 0.49262E-58 -58.3075 0.49262E-58 -58.3075 0.10000E+01 0.0000 17 NO3- 0.10000E-49 -50.0000 0.98178E-50 -50.0080 0.98178E+00 -0.0080 18 N2,aq 0.19979-112 -112.6994 0.19978-112 -112.6995 0.99996E+00 0.0000 19 N2O2-2 0.17431-161 -161.7587 0.17086-161 -161.7674 0.98023E+00 -0.0087 20 HN2O2- 0.17303-157 -157.7619 0.16988-157 -157.7699 0.98178E+00 -0.0080 21 H2N2O2,aq 0.18606-157 -157.7304 0.18606-157 -157.7304 0.10000E+01 0.0000 24 NaCl,aq 0.16108E-14 -14.7930 0.16108E-14 -14.7930 0.10000E+01 0.0000 25 NaOH,aq 0.60886E-14 -14.2155 0.60886E-14 -14.2155 0.10000E+01 0.0000 26 O2,aq 0.24000E-03 -3.6198 0.23999E-03 -3.6198 0.99996E+00 0.0000 27 OH- 0.10244E-06 -6.9895 0.10058E-06 -6.9975 0.98178E+00 -0.0080 28 HO2- 0.77016E-23 -23.1134 0.75613E-23 -23.1214 0.98178E+00 -0.0080 29 H2O2,aq 0.36736E-18 -18.4349 0.36736E-18 -18.4349 0.10000E+01 0.0000 30 H2S,aq 0.34979-158 -158.4562 0.34978-158 -158.4562 0.99996E+00 0.0000 36 SO2,aq 0.76398E-70 -70.1169 0.76398E-70 -70.1169 0.10000E+01 0.0000 37 SO3-2 0.66336E-65 -65.1782 0.65025E-65 -65.1869 0.98023E+00 -0.0087 38 HSO3- 0.10680E-64 -64.9714 0.10485E-64 -64.9794 0.98178E+00 -0.0080 39 HSO4- 0.41368E-25 -25.3833 0.40614E-25 -25.3913 0.98178E+00 -0.0080 40 HSO5- 0.34734E-46 -46.4592 0.34101E-46 -46.4672 0.98178E+00 -0.0080 41 S2O3-2 0.93248-181 -181.0304 0.91404-181 -181.0390 0.98023E+00 -0.0087 42 HS2O3- 0.45337-186 -186.3435 0.44511-186 -186.3515 0.98178E+00 -0.0080 43 H2S2O3,aq 0.17297-192 -192.7620 0.17297-192 -192.7620 0.10000E+01 0.0000 44 S2O4-2 0.17448-167 -167.7583 0.17103-167 -167.7669 0.98023E+00 -0.0087 45 HS2O4- 0.54519-172 -172.2635 0.53526-172 -172.2714 0.98178E+00 -0.0080 46 H2S2O4,aq 0.12504-178 -178.9029 0.12504-178 -178.9029 0.10000E+01 0.0000 47 S2O5-2 0.17094-134 -134.7672 0.16756-134 -134.7758 0.98023E+00 -0.0087 48 S2O6-2 0.45491-104 -104.3421 0.44592-104 -104.3507 0.98023E+00 -0.0087 49 S2O8-2 0.90807E-79 -79.0419 0.89012E-79 -79.0506 0.98023E+00 -0.0087 Charge balance for all species = 0.7854E-20 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 0.1110E-15 1.0000 0.3083E-01 0.3083E-01 H2,gas 0.1389E-59 1.0000 0.6455E-41 0.6455E-41 H2S,gas 0.8291-223 1.0000 0.2863-157 0.2863-157 S2,gas 0.0000E+00 1.0000 0.7687-258 0.7687-258 NO2,gas 0.1032-129 1.0000 0.3564E-64 0.3564E-64 SO3,gas 0.1656-123 1.0000 0.5717E-58 0.5717E-58 O2,gas 0.1000E+01 1.0000 0.3453E+66 0.3453E+66 NH3,gas 0.6309-179 1.0000 0.2178-113 0.2178-113 N2,gas 0.8899-175 1.0000 0.3073-109 0.3073-109 SO2,gas 0.1496-135 1.0000 0.5165E-70 0.5165E-70 NON-Ideal mixing with H2O, AND ALL 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 H2,gas 8.42 -32.77 -41.19 -23.537 0.56195E+05 -41.190 3 H2S,gas -7.90 -165.44 -157.54 -78.772 0.21493E+06 -157.543 4 S2,gas -7.24 -265.35 -258.11 -39.710 0.35214E+06 -258.114 5 NO2,gas 76.52 12.07 -64.45 -14.731 0.87925E+05 -64.448 6 SO3,gas 23.88 -34.37 -58.24 -14.561 0.79460E+05 -58.243 7 O2,gas 66.26 65.54 -0.72 -0.480 0.98202E+03 -0.720 8 NH3,gas 11.04 -102.62 -113.66 -56.831 0.15507E+06 -113.662 9 N2,gas 2.57 -106.94 -109.51 -14.131 0.14941E+06 -109.512 10 SO2,gas 3.15 -67.14 -70.29 -18.743 0.95891E+05 -70.287 11 HCl,gas 6.31 -14.01 -20.31 -10.156 0.27711E+05 -20.311 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 = -.2235E-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 = .1801000E-03 Osmotic coef. = 0.9898 True ionic strength = .2024437E-06 Chg. balance for total moles = -.2235E-20 Max. difference allowed = 0.1000E-10 Log Log Log Species(n) Molality Molality Activity Activity Gamma Gamma 1 H+ 0.10244E-06 -6.9895 0.10058E-06 -6.9975 0.98178E+00 -0.0080 2 H2O 0.10000E+01 0.0000 0.10000E+01 0.0000 3 Cl- 0.10000E-06 -7.0000 0.98178E-07 -7.0080 0.98178E+00 -0.0080 4 SO4-- 0.43235E-20 -20.3642 0.42381E-20 -20.3728 0.98023E+00 -0.0087 5 HS- 0.36414-158 -158.4387 0.35750-158 -158.4467 0.98178E+00 -0.0080 6 Na+ 0.10000E-06 -7.0000 0.98178E-07 -7.0080 0.98178E+00 -0.0080 7 NH4+ 0.48713E-81 -81.3124 0.47825E-81 -81.3203 0.98178E+00 -0.0080 8 HCl,aq 0.19254E-14 -14.7155 0.19254E-14 -14.7155 0.10000E+01 0.0000 9 HClO,aq 0.42915E-23 -23.3674 0.42915E-23 -23.3674 0.10000E+01 0.0000 10 ClO- 0.12249E-23 -23.9119 0.12026E-23 -23.9199 0.98178E+00 -0.0080 11 HClO2,aq 0.17608E-38 -38.7543 0.17608E-38 -38.7543 0.10000E+01 0.0000 12 H2,aq 0.50573E-44 -44.2961 0.50571E-44 -44.2961 0.99996E+00 0.0000 13 NH3,aq 0.27301E-83 -83.5638 0.27300E-83 -83.5638 0.99996E+00 0.0000 14 HNO2,aq 0.12487E-38 -38.9036 0.12487E-38 -38.9036 0.10000E+01 0.0000 15 NO2- 0.75324E-35 -35.1231 0.73952E-35 -35.1311 0.98178E+00 -0.0080 16 HNO3,aq 0.98525E-30 -30.0065 0.98525E-30 -30.0065 0.10000E+01 0.0000 17 NO3- 0.20000E-21 -21.6990 0.19636E-21 -21.7070 0.98178E+00 -0.0080 18 N2,aq 0.79915E-56 -56.0974 0.79911E-56 -56.0974 0.99996E+00 0.0000 19 N2O2-2 0.69723-105 -105.1566 0.68345-105 -105.1653 0.98023E+00 -0.0087 20 HN2O2- 0.69213-101 -101.1598 0.67952-101 -101.1678 0.98178E+00 -0.0080 21 H2N2O2,aq 0.74422-101 -101.1283 0.74422-101 -101.1283 0.10000E+01 0.0000 22 N2H5+ 0.18919-156 -156.7231 0.18574-156 -156.7311 0.98178E+00 -0.0080 23 N2H6+2 0.17910-164 -164.7469 0.17556-164 -164.7556 0.98023E+00 -0.0087 24 NaCl,aq 0.16108E-14 -14.7930 0.16108E-14 -14.7930 0.10000E+01 0.0000 25 NaOH,aq 0.60886E-14 -14.2155 0.60886E-14 -14.2155 0.10000E+01 0.0000 26 O2,aq 0.24000E-03 -3.6198 0.23999E-03 -3.6198 0.99996E+00 0.0000 27 OH- 0.10244E-06 -6.9895 0.10058E-06 -6.9975 0.98178E+00 -0.0080 28 HO2- 0.77016E-23 -23.1134 0.75613E-23 -23.1214 0.98178E+00 -0.0080 29 H2O2,aq 0.36736E-18 -18.4349 0.36736E-18 -18.4349 0.10000E+01 0.0000 30 H2S,aq 0.34978-158 -158.4562 0.34977-158 -158.4562 0.99996E+00 0.0000 36 SO2,aq 0.76396E-70 -70.1169 0.76396E-70 -70.1169 0.10000E+01 0.0000 37 SO3-2 0.66335E-65 -65.1783 0.65023E-65 -65.1869 0.98023E+00 -0.0087 38 HSO3- 0.10680E-64 -64.9714 0.10485E-64 -64.9794 0.98178E+00 -0.0080 39 HSO4- 0.41367E-25 -25.3833 0.40613E-25 -25.3913 0.98178E+00 -0.0080 40 HSO5- 0.34733E-46 -46.4593 0.34101E-46 -46.4672 0.98178E+00 -0.0080 41 S2O3-2 0.93243-181 -181.0304 0.91400-181 -181.0391 0.98023E+00 -0.0087 42 HS2O3- 0.45335-186 -186.3436 0.44509-186 -186.3516 0.98178E+00 -0.0080 43 H2S2O3,aq 0.17296-192 -192.7621 0.17296-192 -192.7621 0.10000E+01 0.0000 44 S2O4-2 0.17447-167 -167.7583 0.17102-167 -167.7670 0.98023E+00 -0.0087 45 HS2O4- 0.54517-172 -172.2635 0.53523-172 -172.2715 0.98178E+00 -0.0080 46 H2S2O4,aq 0.12504-178 -178.9030 0.12504-178 -178.9030 0.10000E+01 0.0000 47 S2O5-2 0.17093-134 -134.7672 0.16755-134 -134.7759 0.98023E+00 -0.0087 48 S2O6-2 0.45489-104 -104.3421 0.44590-104 -104.3508 0.98023E+00 -0.0087 49 S2O8-2 0.90803E-79 -79.0419 0.89008E-79 -79.0506 0.98023E+00 -0.0087 Charge balance for all species = -.4547E-20 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 0.1110E-15 1.0000 0.3083E-01 0.3083E-01 H2,gas 0.1389E-59 1.0000 0.6455E-41 0.6455E-41 H2S,gas 0.8291-223 1.0000 0.2863-157 0.2863-157 S2,gas 0.0000E+00 1.0000 0.7687-258 0.7687-258 NO2,gas 0.2064-101 1.0000 0.7128E-36 0.7128E-36 SO3,gas 0.1656-123 1.0000 0.5717E-58 0.5717E-58 O2,gas 0.1000E+01 1.0000 0.3453E+66 0.3453E+66 NH3,gas 0.1262-150 1.0000 0.4357E-85 0.4357E-85 N2,gas 0.3560-118 1.0000 0.1229E-52 0.1229E-52 SO2,gas 0.1496-135 1.0000 0.5165E-70 0.5165E-70 NON-Ideal mixing with H2O, AND ALL 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 H2,gas 8.42 -32.77 -41.19 -23.537 0.56195E+05 -41.190 3 H2S,gas -7.90 -165.44 -157.54 -78.772 0.21493E+06 -157.543 4 S2,gas -7.24 -265.35 -258.11 -39.710 0.35214E+06 -258.114 5 NO2,gas 76.52 40.37 -36.15 -8.262 0.49315E+05 -36.147 6 SO3,gas 23.88 -34.37 -58.24 -14.561 0.79460E+05 -58.243 7 O2,gas 66.26 65.54 -0.72 -0.480 0.98202E+03 -0.720 8 NH3,gas 11.04 -74.32 -85.36 -42.680 0.11646E+06 -85.361 9 N2,gas 2.57 -50.34 -52.91 -6.827 0.72185E+05 -52.910 10 SO2,gas 3.15 -67.14 -70.29 -18.743 0.95891E+05 -70.287 11 HCl,gas 6.31 -14.01 -20.31 -10.156 0.27711E+05 -20.311 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 = -.2035E-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 = .1801000E-03 Osmotic coef. = 0.9898 True ionic strength = .2024437E-06 Chg. balance for total moles = -.2035E-20 Max. difference allowed = 0.1000E-10 Log Log Log Species(n) Molality Molality Activity Activity Gamma Gamma 1 H+ 0.10244E-06 -6.9895 0.10058E-06 -6.9975 0.98178E+00 -0.0080 2 H2O 0.10000E+01 0.0000 0.10000E+01 0.0000 3 Cl- 0.10000E-06 -7.0000 0.98178E-07 -7.0080 0.98178E+00 -0.0080 4 SO4-- 0.43234E-20 -20.3642 0.42379E-20 -20.3728 0.98023E+00 -0.0087 5 HS- 0.36413-158 -158.4387 0.35749-158 -158.4467 0.98178E+00 -0.0080 6 Na+ 0.10000E-06 -7.0000 0.98178E-07 -7.0080 0.98178E+00 -0.0080 7 NH4+ 0.97426E-81 -81.0113 0.95651E-81 -81.0193 0.98178E+00 -0.0080 8 HCl,aq 0.19254E-14 -14.7155 0.19254E-14 -14.7155 0.10000E+01 0.0000 9 HClO,aq 0.42915E-23 -23.3674 0.42915E-23 -23.3674 0.10000E+01 0.0000 10 ClO- 0.12249E-23 -23.9119 0.12026E-23 -23.9199 0.98178E+00 -0.0080 11 HClO2,aq 0.17608E-38 -38.7543 0.17608E-38 -38.7543 0.10000E+01 0.0000 12 H2,aq 0.50573E-44 -44.2961 0.50571E-44 -44.2961 0.99996E+00 0.0000 13 NH3,aq 0.54602E-83 -83.2628 0.54600E-83 -83.2628 0.99996E+00 0.0000 14 HNO2,aq 0.24973E-38 -38.6025 0.24973E-38 -38.6025 0.10000E+01 0.0000 15 NO2- 0.15065E-34 -34.8220 0.14790E-34 -34.8300 0.98178E+00 -0.0080 16 HNO3,aq 0.19705E-29 -29.7054 0.19705E-29 -29.7054 0.10000E+01 0.0000 17 NO3- 0.40000E-21 -21.3979 0.39271E-21 -21.4059 0.98178E+00 -0.0080 18 N2,aq 0.31966E-55 -55.4953 0.31964E-55 -55.4953 0.99996E+00 0.0000 19 N2O2-2 0.27889-104 -104.5546 0.27338-104 -104.5632 0.98023E+00 -0.0087 20 HN2O2- 0.27685-100 -100.5578 0.27181-100 -100.5657 0.98178E+00 -0.0080 21 H2N2O2,aq 0.29769-100 -100.5262 0.29769-100 -100.5262 0.10000E+01 0.0000 22 N2H5+ 0.75676-156 -156.1210 0.74298-156 -156.1290 0.98178E+00 -0.0080 23 N2H6+2 0.71639-164 -164.1449 0.70222-164 -164.1535 0.98023E+00 -0.0087 24 NaCl,aq 0.16108E-14 -14.7930 0.16108E-14 -14.7930 0.10000E+01 0.0000 25 NaOH,aq 0.60886E-14 -14.2155 0.60886E-14 -14.2155 0.10000E+01 0.0000 26 O2,aq 0.24000E-03 -3.6198 0.23999E-03 -3.6198 0.99996E+00 0.0000 27 OH- 0.10244E-06 -6.9895 0.10058E-06 -6.9975 0.98178E+00 -0.0080 28 HO2- 0.77016E-23 -23.1134 0.75613E-23 -23.1214 0.98178E+00 -0.0080 29 H2O2,aq 0.36736E-18 -18.4349 0.36736E-18 -18.4349 0.10000E+01 0.0000 30 H2S,aq 0.34977-158 -158.4562 0.34976-158 -158.4562 0.99996E+00 0.0000 36 SO2,aq 0.76394E-70 -70.1169 0.76394E-70 -70.1169 0.10000E+01 0.0000 37 SO3-2 0.66333E-65 -65.1783 0.65022E-65 -65.1869 0.98023E+00 -0.0087 38 HSO3- 0.10679E-64 -64.9715 0.10485E-64 -64.9794 0.98178E+00 -0.0080 39 HSO4- 0.41366E-25 -25.3834 0.40612E-25 -25.3913 0.98178E+00 -0.0080 40 HSO5- 0.34733E-46 -46.4593 0.34100E-46 -46.4672 0.98178E+00 -0.0080 41 S2O3-2 0.93239-181 -181.0304 0.91396-181 -181.0391 0.98023E+00 -0.0087 42 HS2O3- 0.45333-186 -186.3436 0.44507-186 -186.3516 0.98178E+00 -0.0080 43 H2S2O3,aq 0.17295-192 -192.7621 0.17295-192 -192.7621 0.10000E+01 0.0000 44 S2O4-2 0.17446-167 -167.7583 0.17101-167 -167.7670 0.98023E+00 -0.0087 45 HS2O4- 0.54514-172 -172.2635 0.53521-172 -172.2715 0.98178E+00 -0.0080 46 H2S2O4,aq 0.12503-178 -178.9030 0.12503-178 -178.9030 0.10000E+01 0.0000 47 S2O5-2 0.17092-134 -134.7672 0.16754-134 -134.7759 0.98023E+00 -0.0087 48 S2O6-2 0.45487-104 -104.3421 0.44588-104 -104.3508 0.98023E+00 -0.0087 49 S2O8-2 0.90799E-79 -79.0419 0.89004E-79 -79.0506 0.98023E+00 -0.0087 Charge balance for all species = -.8548E-21 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 H2,gas 0.1869-106 1.0000 0.6455E-41 0.6455E-41 H2S,gas 0.8290-223 1.0000 0.2863-157 0.2863-157 S2,gas 0.0000E+00 1.0000 0.7687-258 0.7687-258 NO2,gas 0.4129-101 1.0000 0.1426E-35 0.1426E-35 SO3,gas 0.1656-123 1.0000 0.5717E-58 0.5717E-58 O2,gas 0.1000E+01 1.0000 0.3453E+66 0.3453E+66 NH3,gas 0.2523-150 1.0000 0.8713E-85 0.8713E-85 N2,gas 0.1424-117 1.0000 0.4917E-52 0.4917E-52 SO2,gas 0.1496-135 1.0000 0.5165E-70 0.5165E-70 NON-Ideal mixing with H2O, AND ALL 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 H2,gas 8.42 -32.77 -41.19 -23.537 0.56195E+05 -41.190 3 H2S,gas -7.90 -165.44 -157.54 -78.772 0.21493E+06 -157.543 4 S2,gas -7.24 -265.35 -258.11 -39.710 0.35214E+06 -258.114 5 NO2,gas 76.52 40.67 -35.85 -8.193 0.48904E+05 -35.846 6 SO3,gas 23.88 -34.37 -58.24 -14.561 0.79460E+05 -58.243 7 O2,gas 66.26 65.54 -0.72 -0.480 0.98202E+03 -0.720 8 NH3,gas 11.04 -74.02 -85.06 -42.530 0.11605E+06 -85.060 9 N2,gas 2.57 -49.74 -52.31 -6.749 0.71363E+05 -52.308 10 SO2,gas 3.15 -67.14 -70.29 -18.743 0.95891E+05 -70.287 11 HCl,gas 6.31 -14.01 -20.31 -10.156 0.27711E+05 -20.311 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 = -.1835E-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 = .1801000E-03 Osmotic coef. = 0.9898 True ionic strength = .2024437E-06 Chg. balance for total moles = -.1835E-20 Max. difference allowed = 0.1000E-10 Log Log Log Species(n) Molality Molality Activity Activity Gamma Gamma 1 H+ 0.10244E-06 -6.9895 0.10058E-06 -6.9975 0.98178E+00 -0.0080 2 H2O 0.10000E+01 0.0000 0.10000E+01 0.0000 3 Cl- 0.10000E-06 -7.0000 0.98178E-07 -7.0080 0.98178E+00 -0.0080 4 SO4-- 0.43233E-20 -20.3642 0.42378E-20 -20.3729 0.98023E+00 -0.0087 5 HS- 0.36412-158 -158.4388 0.35749-158 -158.4467 0.98178E+00 -0.0080 6 Na+ 0.10000E-06 -7.0000 0.98178E-07 -7.0080 0.98178E+00 -0.0080 7 NH4+ 0.14614E-80 -80.8352 0.14348E-80 -80.8432 0.98178E+00 -0.0080 8 HCl,aq 0.19254E-14 -14.7155 0.19254E-14 -14.7155 0.10000E+01 0.0000 9 HClO,aq 0.42915E-23 -23.3674 0.42915E-23 -23.3674 0.10000E+01 0.0000 10 ClO- 0.12249E-23 -23.9119 0.12026E-23 -23.9199 0.98178E+00 -0.0080 11 HClO2,aq 0.17608E-38 -38.7543 0.17608E-38 -38.7543 0.10000E+01 0.0000 12 H2,aq 0.50573E-44 -44.2961 0.50571E-44 -44.2961 0.99996E+00 0.0000 13 NH3,aq 0.81903E-83 -83.0867 0.81899E-83 -83.0867 0.99996E+00 0.0000 14 HNO2,aq 0.37460E-38 -38.4264 0.37460E-38 -38.4264 0.10000E+01 0.0000 15 NO2- 0.22597E-34 -34.6459 0.22186E-34 -34.6539 0.98178E+00 -0.0080 16 HNO3,aq 0.29557E-29 -29.5293 0.29557E-29 -29.5293 0.10000E+01 0.0000 17 NO3- 0.60000E-21 -21.2218 0.58907E-21 -21.2298 0.98178E+00 -0.0080 18 N2,aq 0.71923E-55 -55.1431 0.71920E-55 -55.1431 0.99996E+00 0.0000 19 N2O2-2 0.62751-104 -104.2024 0.61510-104 -104.2111 0.98023E+00 -0.0087 20 HN2O2- 0.62292-100 -100.2056 0.61157-100 -100.2136 0.98178E+00 -0.0080 21 H2N2O2,aq 0.66980-100 -100.1741 0.66980-100 -100.1741 0.10000E+01 0.0000 22 N2H5+ 0.17027-155 -155.7689 0.16717-155 -155.7768 0.98178E+00 -0.0080 23 N2H6+2 0.16119-163 -163.7927 0.15800-163 -163.8013 0.98023E+00 -0.0087 24 NaCl,aq 0.16108E-14 -14.7930 0.16108E-14 -14.7930 0.10000E+01 0.0000 25 NaOH,aq 0.60886E-14 -14.2155 0.60886E-14 -14.2155 0.10000E+01 0.0000 26 O2,aq 0.24000E-03 -3.6198 0.23999E-03 -3.6198 0.99996E+00 0.0000 27 OH- 0.10244E-06 -6.9895 0.10058E-06 -6.9975 0.98178E+00 -0.0080 28 HO2- 0.77016E-23 -23.1134 0.75613E-23 -23.1214 0.98178E+00 -0.0080 29 H2O2,aq 0.36736E-18 -18.4349 0.36736E-18 -18.4349 0.10000E+01 0.0000 30 H2S,aq 0.34977-158 -158.4562 0.34975-158 -158.4562 0.99996E+00 0.0000 36 SO2,aq 0.76392E-70 -70.1170 0.76392E-70 -70.1170 0.10000E+01 0.0000 37 SO3-2 0.66332E-65 -65.1783 0.65020E-65 -65.1870 0.98023E+00 -0.0087 38 HSO3- 0.10679E-64 -64.9715 0.10485E-64 -64.9795 0.98178E+00 -0.0080 39 HSO4- 0.41365E-25 -25.3834 0.40611E-25 -25.3914 0.98178E+00 -0.0080 40 HSO5- 0.34732E-46 -46.4593 0.34099E-46 -46.4673 0.98178E+00 -0.0080 41 S2O3-2 0.93235-181 -181.0304 0.91391-181 -181.0391 0.98023E+00 -0.0087 42 HS2O3- 0.45330-186 -186.3436 0.44505-186 -186.3516 0.98178E+00 -0.0080 43 H2S2O3,aq 0.17294-192 -192.7621 0.17294-192 -192.7621 0.10000E+01 0.0000 44 S2O4-2 0.17445-167 -167.7583 0.17100-167 -167.7670 0.98023E+00 -0.0087 45 HS2O4- 0.54511-172 -172.2635 0.53518-172 -172.2715 0.98178E+00 -0.0080 46 H2S2O4,aq 0.12503-178 -178.9030 0.12503-178 -178.9030 0.10000E+01 0.0000 47 S2O5-2 0.17091-134 -134.7672 0.16753-134 -134.7759 0.98023E+00 -0.0087 48 S2O6-2 0.45485-104 -104.3421 0.44586-104 -104.3508 0.98023E+00 -0.0087 49 S2O8-2 0.90794E-79 -79.0419 0.88999E-79 -79.0506 0.98023E+00 -0.0087 Charge balance for all species = 0.6517E-20 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 H2,gas 0.1869-106 1.0000 0.6455E-41 0.6455E-41 H2S,gas 0.8290-223 1.0000 0.2863-157 0.2863-157 S2,gas 0.0000E+00 1.0000 0.7686-258 0.7686-258 NO2,gas 0.6193-101 1.0000 0.2139E-35 0.2139E-35 SO3,gas 0.1656-123 1.0000 0.5717E-58 0.5717E-58 O2,gas 0.1000E+01 1.0000 0.3453E+66 0.3453E+66 NH3,gas 0.3785-150 1.0000 0.1307E-84 0.1307E-84 N2,gas 0.3204-117 1.0000 0.1106E-51 0.1106E-51 SO2,gas 0.1496-135 1.0000 0.5165E-70 0.5165E-70 NON-Ideal mixing with H2O, AND ALL 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 H2,gas 8.42 -32.77 -41.19 -23.537 0.56195E+05 -41.190 3 H2S,gas -7.90 -165.44 -157.54 -78.772 0.21493E+06 -157.543 4 S2,gas -7.24 -265.35 -258.11 -39.710 0.35214E+06 -258.114 5 NO2,gas 76.52 40.85 -35.67 -8.153 0.48664E+05 -35.670 6 SO3,gas 23.88 -34.37 -58.24 -14.561 0.79460E+05 -58.243 7 O2,gas 66.26 65.54 -0.72 -0.480 0.98202E+03 -0.720 8 NH3,gas 11.04 -73.85 -84.88 -42.442 0.11581E+06 -84.884 9 N2,gas 2.57 -49.38 -51.96 -6.704 0.70883E+05 -51.956 10 SO2,gas 3.15 -67.14 -70.29 -18.743 0.95891E+05 -70.287 11 HCl,gas 6.31 -14.01 -20.31 -10.156 0.27711E+05 -20.311 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 = -.1635E-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 = .1801000E-03 Osmotic coef. = 0.9898 True ionic strength = .2024437E-06 Chg. balance for total moles = -.1635E-20 Max. difference allowed = 0.1000E-10 Log Log Log Species(n) Molality Molality Activity Activity Gamma Gamma 1 H+ 0.10244E-06 -6.9895 0.10058E-06 -6.9975 0.98178E+00 -0.0080 2 H2O 0.10000E+01 0.0000 0.10000E+01 0.0000 3 Cl- 0.10000E-06 -7.0000 0.98178E-07 -7.0080 0.98178E+00 -0.0080 4 SO4-- 0.43232E-20 -20.3642 0.42377E-20 -20.3729 0.98023E+00 -0.0087 5 HS- 0.36411-158 -158.4388 0.35748-158 -158.4468 0.98178E+00 -0.0080 6 Na+ 0.10000E-06 -7.0000 0.98178E-07 -7.0080 0.98178E+00 -0.0080 7 NH4+ 0.19485E-80 -80.7103 0.19130E-80 -80.7183 0.98178E+00 -0.0080 8 HCl,aq 0.19254E-14 -14.7155 0.19254E-14 -14.7155 0.10000E+01 0.0000 9 HClO,aq 0.42915E-23 -23.3674 0.42915E-23 -23.3674 0.10000E+01 0.0000 10 ClO- 0.12249E-23 -23.9119 0.12026E-23 -23.9199 0.98178E+00 -0.0080 11 HClO2,aq 0.17608E-38 -38.7543 0.17608E-38 -38.7543 0.10000E+01 0.0000 12 H2,aq 0.50573E-44 -44.2961 0.50571E-44 -44.2961 0.99996E+00 0.0000 13 NH3,aq 0.10920E-82 -82.9618 0.10920E-82 -82.9618 0.99996E+00 0.0000 14 HNO2,aq 0.49947E-38 -38.3015 0.49947E-38 -38.3015 0.10000E+01 0.0000 15 NO2- 0.30130E-34 -34.5210 0.29581E-34 -34.5290 0.98178E+00 -0.0080 16 HNO3,aq 0.39410E-29 -29.4044 0.39410E-29 -29.4044 0.10000E+01 0.0000 17 NO3- 0.80000E-21 -21.0969 0.78543E-21 -21.1049 0.98178E+00 -0.0080 18 N2,aq 0.12786E-54 -54.8933 0.12786E-54 -54.8933 0.99996E+00 0.0000 19 N2O2-2 0.11156-103 -103.9525 0.10935-103 -103.9612 0.98023E+00 -0.0087 20 HN2O2- 0.11074E-99 -99.9557 0.10872E-99 -99.9637 0.98178E+00 -0.0080 21 H2N2O2,aq 0.11908E-99 -99.9242 0.11908E-99 -99.9242 0.10000E+01 0.0000 22 N2H5+ 0.30271-155 -155.5190 0.29719-155 -155.5270 0.98178E+00 -0.0080 23 N2H6+2 0.28655-163 -163.5428 0.28089-163 -163.5515 0.98023E+00 -0.0087 24 NaCl,aq 0.16108E-14 -14.7930 0.16108E-14 -14.7930 0.10000E+01 0.0000 25 NaOH,aq 0.60886E-14 -14.2155 0.60886E-14 -14.2155 0.10000E+01 0.0000 26 O2,aq 0.24000E-03 -3.6198 0.23999E-03 -3.6198 0.99996E+00 0.0000 27 OH- 0.10244E-06 -6.9895 0.10058E-06 -6.9975 0.98178E+00 -0.0080 28 HO2- 0.77016E-23 -23.1134 0.75613E-23 -23.1214 0.98178E+00 -0.0080 29 H2O2,aq 0.36736E-18 -18.4349 0.36736E-18 -18.4349 0.10000E+01 0.0000 30 H2S,aq 0.34976-158 -158.4562 0.34974-158 -158.4563 0.99996E+00 0.0000 36 SO2,aq 0.76390E-70 -70.1170 0.76390E-70 -70.1170 0.10000E+01 0.0000 37 SO3-2 0.66330E-65 -65.1783 0.65019E-65 -65.1870 0.98023E+00 -0.0087 38 HSO3- 0.10679E-64 -64.9715 0.10484E-64 -64.9795 0.98178E+00 -0.0080 39 HSO4- 0.41364E-25 -25.3834 0.40610E-25 -25.3914 0.98178E+00 -0.0080 40 HSO5- 0.34731E-46 -46.4593 0.34098E-46 -46.4673 0.98178E+00 -0.0080 41 S2O3-2 0.93230-181 -181.0304 0.91387-181 -181.0391 0.98023E+00 -0.0087 42 HS2O3- 0.45328-186 -186.3436 0.44502-186 -186.3516 0.98178E+00 -0.0080 43 H2S2O3,aq 0.17294-192 -192.7621 0.17294-192 -192.7621 0.10000E+01 0.0000 44 S2O4-2 0.17444-167 -167.7583 0.17099-167 -167.7670 0.98023E+00 -0.0087 45 HS2O4- 0.54509-172 -172.2635 0.53516-172 -172.2715 0.98178E+00 -0.0080 46 H2S2O4,aq 0.12502-178 -178.9030 0.12502-178 -178.9030 0.10000E+01 0.0000 47 S2O5-2 0.17090-134 -134.7673 0.16752-134 -134.7759 0.98023E+00 -0.0087 48 S2O6-2 0.45483-104 -104.3422 0.44583-104 -104.3508 0.98023E+00 -0.0087 49 S2O8-2 0.90790E-79 -79.0420 0.88995E-79 -79.0506 0.98023E+00 -0.0087 Charge balance for all species = -.5143E-20 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 0.1110E-15 1.0000 0.3083E-01 0.3083E-01 H2,gas 0.1389E-59 1.0000 0.6455E-41 0.6455E-41 H2S,gas 0.8290-223 1.0000 0.2863-157 0.2863-157 S2,gas 0.0000E+00 1.0000 0.7686-258 0.7686-258 NO2,gas 0.8258-101 1.0000 0.2851E-35 0.2851E-35 SO3,gas 0.1656-123 1.0000 0.5717E-58 0.5717E-58 O2,gas 0.1000E+01 1.0000 0.3453E+66 0.3453E+66 NH3,gas 0.5047-150 1.0000 0.1743E-84 0.1743E-84 N2,gas 0.5696-117 1.0000 0.1967E-51 0.1967E-51 SO2,gas 0.1496-135 1.0000 0.5165E-70 0.5165E-70 NON-Ideal mixing with H2O, AND ALL 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 H2,gas 8.42 -32.77 -41.19 -23.537 0.56195E+05 -41.190 3 H2S,gas -7.90 -165.44 -157.54 -78.772 0.21493E+06 -157.543 4 S2,gas -7.24 -265.35 -258.11 -39.710 0.35214E+06 -258.114 5 NO2,gas 76.52 40.97 -35.54 -8.125 0.48493E+05 -35.545 6 SO3,gas 23.88 -34.37 -58.24 -14.561 0.79460E+05 -58.243 7 O2,gas 66.26 65.54 -0.72 -0.480 0.98202E+03 -0.720 8 NH3,gas 11.04 -73.72 -84.76 -42.379 0.11564E+06 -84.759 9 N2,gas 2.57 -49.13 -51.71 -6.672 0.70542E+05 -51.706 10 SO2,gas 3.15 -67.14 -70.29 -18.743 0.95891E+05 -70.287 11 HCl,gas 6.31 -14.01 -20.31 -10.156 0.27711E+05 -20.311 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 = -.1435E-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 = .1801000E-03 Osmotic coef. = 0.9898 True ionic strength = .2024437E-06 Chg. balance for total moles = -.1435E-20 Max. difference allowed = 0.1000E-10 Log Log Log Species(n) Molality Molality Activity Activity Gamma Gamma 1 H+ 0.10244E-06 -6.9895 0.10058E-06 -6.9975 0.98178E+00 -0.0080 2 H2O 0.10000E+01 0.0000 0.10000E+01 0.0000 3 Cl- 0.10000E-06 -7.0000 0.98178E-07 -7.0080 0.98178E+00 -0.0080 4 SO4-- 0.43231E-20 -20.3642 0.42376E-20 -20.3729 0.98023E+00 -0.0087 5 HS- 0.36410-158 -158.4388 0.35747-158 -158.4468 0.98178E+00 -0.0080 6 Na+ 0.10000E-06 -7.0000 0.98178E-07 -7.0080 0.98178E+00 -0.0080 7 NH4+ 0.24356E-80 -80.6134 0.23913E-80 -80.6214 0.98178E+00 -0.0080 8 HCl,aq 0.19254E-14 -14.7155 0.19254E-14 -14.7155 0.10000E+01 0.0000 9 HClO,aq 0.42915E-23 -23.3674 0.42915E-23 -23.3674 0.10000E+01 0.0000 10 ClO- 0.12249E-23 -23.9119 0.12026E-23 -23.9199 0.98178E+00 -0.0080 11 HClO2,aq 0.17608E-38 -38.7543 0.17608E-38 -38.7543 0.10000E+01 0.0000 12 H2,aq 0.50573E-44 -44.2961 0.50571E-44 -44.2961 0.99996E+00 0.0000 13 NH3,aq 0.13650E-82 -82.8649 0.13650E-82 -82.8649 0.99996E+00 0.0000 14 HNO2,aq 0.62434E-38 -38.2046 0.62434E-38 -38.2046 0.10000E+01 0.0000 15 NO2- 0.37662E-34 -34.4241 0.36976E-34 -34.4321 0.98178E+00 -0.0080 16 HNO3,aq 0.49262E-29 -29.3075 0.49262E-29 -29.3075 0.10000E+01 0.0000 17 NO3- 0.10000E-20 -21.0000 0.98178E-21 -21.0080 0.98178E+00 -0.0080 18 N2,aq 0.19979E-54 -54.6994 0.19978E-54 -54.6995 0.99996E+00 0.0000 19 N2O2-2 0.17431-103 -103.7587 0.17086-103 -103.7674 0.98023E+00 -0.0087 20 HN2O2- 0.17303E-99 -99.7619 0.16988E-99 -99.7699 0.98178E+00 -0.0080 21 H2N2O2,aq 0.18606E-99 -99.7304 0.18606E-99 -99.7304 0.10000E+01 0.0000 22 N2H5+ 0.47298-155 -155.3252 0.46436-155 -155.3331 0.98178E+00 -0.0080 23 N2H6+2 0.44774-163 -163.3490 0.43889-163 -163.3576 0.98023E+00 -0.0087 24 NaCl,aq 0.16108E-14 -14.7930 0.16108E-14 -14.7930 0.10000E+01 0.0000 25 NaOH,aq 0.60886E-14 -14.2155 0.60886E-14 -14.2155 0.10000E+01 0.0000 26 O2,aq 0.24000E-03 -3.6198 0.23999E-03 -3.6198 0.99996E+00 0.0000 27 OH- 0.10244E-06 -6.9895 0.10058E-06 -6.9975 0.98178E+00 -0.0080 28 HO2- 0.77016E-23 -23.1134 0.75613E-23 -23.1214 0.98178E+00 -0.0080 29 H2O2,aq 0.36736E-18 -18.4349 0.36736E-18 -18.4349 0.10000E+01 0.0000 30 H2S,aq 0.34975-158 -158.4562 0.34973-158 -158.4563 0.99996E+00 0.0000 36 SO2,aq 0.76389E-70 -70.1170 0.76389E-70 -70.1170 0.10000E+01 0.0000 37 SO3-2 0.66328E-65 -65.1783 0.65017E-65 -65.1870 0.98023E+00 -0.0087 38 HSO3- 0.10679E-64 -64.9715 0.10484E-64 -64.9795 0.98178E+00 -0.0080 39 HSO4- 0.41363E-25 -25.3834 0.40609E-25 -25.3914 0.98178E+00 -0.0080 40 HSO5- 0.34730E-46 -46.4593 0.34097E-46 -46.4673 0.98178E+00 -0.0080 41 S2O3-2 0.93226-181 -181.0305 0.91383-181 -181.0391 0.98023E+00 -0.0087 42 HS2O3- 0.45326-186 -186.3437 0.44500-186 -186.3516 0.98178E+00 -0.0080 43 H2S2O3,aq 0.17293-192 -192.7621 0.17293-192 -192.7621 0.10000E+01 0.0000 44 S2O4-2 0.17443-167 -167.7584 0.17099-167 -167.7670 0.98023E+00 -0.0087 45 HS2O4- 0.54506-172 -172.2636 0.53513-172 -172.2715 0.98178E+00 -0.0080 46 H2S2O4,aq 0.12501-178 -178.9030 0.12501-178 -178.9030 0.10000E+01 0.0000 47 S2O5-2 0.17089-134 -134.7673 0.16752-134 -134.7759 0.98023E+00 -0.0087 48 S2O6-2 0.45480-104 -104.3422 0.44581-104 -104.3508 0.98023E+00 -0.0087 49 S2O8-2 0.90786E-79 -79.0420 0.88991E-79 -79.0507 0.98023E+00 -0.0087 Charge balance for all species = -.1464E-20 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 H2,gas 0.1869-106 1.0000 0.6455E-41 0.6455E-41 H2S,gas 0.8290-223 1.0000 0.2862-157 0.2862-157 S2,gas 0.0000E+00 1.0000 0.7685-258 0.7685-258 NO2,gas 0.1032-100 1.0000 0.3564E-35 0.3564E-35 SO3,gas 0.1656-123 1.0000 0.5716E-58 0.5716E-58 O2,gas 0.1000E+01 1.0000 0.3453E+66 0.3453E+66 NH3,gas 0.6309-150 1.0000 0.2178E-84 0.2178E-84 N2,gas 0.8899-117 1.0000 0.3073E-51 0.3073E-51 SO2,gas 0.1496-135 1.0000 0.5164E-70 0.5164E-70 NON-Ideal mixing with H2O, AND ALL 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 H2,gas 8.42 -32.77 -41.19 -23.537 0.56195E+05 -41.190 3 H2S,gas -7.90 -165.44 -157.54 -78.772 0.21493E+06 -157.543 4 S2,gas -7.24 -265.35 -258.11 -39.710 0.35214E+06 -258.114 5 NO2,gas 76.52 41.07 -35.45 -8.102 0.48361E+05 -35.448 6 SO3,gas 23.88 -34.37 -58.24 -14.561 0.79460E+05 -58.243 7 O2,gas 66.26 65.54 -0.72 -0.480 0.98202E+03 -0.720 8 NH3,gas 11.04 -73.62 -84.66 -42.331 0.11550E+06 -84.662 9 N2,gas 2.57 -48.94 -51.51 -6.647 0.70278E+05 -51.512 10 SO2,gas 3.15 -67.14 -70.29 -18.743 0.95891E+05 -70.287 11 HCl,gas 6.31 -14.01 -20.31 -10.156 0.27711E+05 -20.311 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-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 = .1801000E-03 Osmotic coef. = 0.9898 True ionic strength = .2024437E-06 Chg. balance for total moles = -.1235E-20 Max. difference allowed = 0.1000E-10 Log Log Log Species(n) Molality Molality Activity Activity Gamma Gamma 1 H+ 0.10244E-06 -6.9895 0.10058E-06 -6.9975 0.98178E+00 -0.0080 2 H2O 0.10000E+01 0.0000 0.10000E+01 0.0000 3 Cl- 0.10000E-06 -7.0000 0.98178E-07 -7.0080 0.98178E+00 -0.0080 4 SO4-- 0.43230E-20 -20.3642 0.42375E-20 -20.3729 0.98023E+00 -0.0087 5 HS- 0.36409-158 -158.4388 0.35746-158 -158.4468 0.98178E+00 -0.0080 6 Na+ 0.10000E-06 -7.0000 0.98178E-07 -7.0080 0.98178E+00 -0.0080 7 NH4+ 0.29228E-80 -80.5342 0.28695E-80 -80.5422 0.98178E+00 -0.0080 8 HCl,aq 0.19254E-14 -14.7155 0.19254E-14 -14.7155 0.10000E+01 0.0000 9 HClO,aq 0.42915E-23 -23.3674 0.42915E-23 -23.3674 0.10000E+01 0.0000 10 ClO- 0.12249E-23 -23.9119 0.12026E-23 -23.9199 0.98178E+00 -0.0080 11 HClO2,aq 0.17608E-38 -38.7543 0.17608E-38 -38.7543 0.10000E+01 0.0000 12 H2,aq 0.50573E-44 -44.2961 0.50571E-44 -44.2961 0.99996E+00 0.0000 13 NH3,aq 0.16381E-82 -82.7857 0.16380E-82 -82.7857 0.99996E+00 0.0000 14 HNO2,aq 0.74920E-38 -38.1254 0.74920E-38 -38.1254 0.10000E+01 0.0000 15 NO2- 0.45194E-34 -34.3449 0.44371E-34 -34.3529 0.98178E+00 -0.0080 16 HNO3,aq 0.59115E-29 -29.2283 0.59115E-29 -29.2283 0.10000E+01 0.0000 17 NO3- 0.12000E-20 -20.9208 0.11781E-20 -20.9288 0.98178E+00 -0.0080 18 N2,aq 0.28769E-54 -54.5411 0.28768E-54 -54.5411 0.99996E+00 0.0000 19 N2O2-2 0.25100-103 -103.6003 0.24604-103 -103.6090 0.98023E+00 -0.0087 20 HN2O2- 0.24917E-99 -99.6035 0.24463E-99 -99.6115 0.98178E+00 -0.0080 21 H2N2O2,aq 0.26792E-99 -99.5720 0.26792E-99 -99.5720 0.10000E+01 0.0000 22 N2H5+ 0.68109-155 -155.1668 0.66868-155 -155.1748 0.98178E+00 -0.0080 23 N2H6+2 0.64475-163 -163.1906 0.63200-163 -163.1993 0.98023E+00 -0.0087 24 NaCl,aq 0.16108E-14 -14.7930 0.16108E-14 -14.7930 0.10000E+01 0.0000 25 NaOH,aq 0.60886E-14 -14.2155 0.60886E-14 -14.2155 0.10000E+01 0.0000 26 O2,aq 0.24000E-03 -3.6198 0.23999E-03 -3.6198 0.99996E+00 0.0000 27 OH- 0.10244E-06 -6.9895 0.10058E-06 -6.9975 0.98178E+00 -0.0080 28 HO2- 0.77016E-23 -23.1134 0.75613E-23 -23.1214 0.98178E+00 -0.0080 29 H2O2,aq 0.36736E-18 -18.4349 0.36736E-18 -18.4349 0.10000E+01 0.0000 30 H2S,aq 0.34974-158 -158.4563 0.34973-158 -158.4563 0.99996E+00 0.0000 36 SO2,aq 0.76387E-70 -70.1170 0.76387E-70 -70.1170 0.10000E+01 0.0000 37 SO3-2 0.66327E-65 -65.1783 0.65016E-65 -65.1870 0.98023E+00 -0.0087 38 HSO3- 0.10678E-64 -64.9715 0.10484E-64 -64.9795 0.98178E+00 -0.0080 39 HSO4- 0.41362E-25 -25.3834 0.40608E-25 -25.3914 0.98178E+00 -0.0080 40 HSO5- 0.34729E-46 -46.4593 0.34097E-46 -46.4673 0.98178E+00 -0.0080 41 S2O3-2 0.93221-181 -181.0305 0.91378-181 -181.0392 0.98023E+00 -0.0087 42 HS2O3- 0.45324-186 -186.3437 0.44498-186 -186.3517 0.98178E+00 -0.0080 43 H2S2O3,aq 0.17292-192 -192.7622 0.17292-192 -192.7622 0.10000E+01 0.0000 44 S2O4-2 0.17443-167 -167.7584 0.17098-167 -167.7671 0.98023E+00 -0.0087 45 HS2O4- 0.54503-172 -172.2636 0.53511-172 -172.2716 0.98178E+00 -0.0080 46 H2S2O4,aq 0.12501-178 -178.9031 0.12501-178 -178.9031 0.10000E+01 0.0000 47 S2O5-2 0.17089-134 -134.7673 0.16751-134 -134.7760 0.98023E+00 -0.0087 48 S2O6-2 0.45478-104 -104.3422 0.44579-104 -104.3509 0.98023E+00 -0.0087 49 S2O8-2 0.90781E-79 -79.0420 0.88987E-79 -79.0507 0.98023E+00 -0.0087 Charge balance for all species = 0.5908E-20 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 H2,gas 0.1869-106 1.0000 0.6455E-41 0.6455E-41 H2S,gas 0.8290-223 1.0000 0.2862-157 0.2862-157 S2,gas 0.0000E+00 1.0000 0.7685-258 0.7685-258 NO2,gas 0.1239-100 1.0000 0.4277E-35 0.4277E-35 SO3,gas 0.1655-123 1.0000 0.5716E-58 0.5716E-58 O2,gas 0.1000E+01 1.0000 0.3453E+66 0.3453E+66 NH3,gas 0.7570-150 1.0000 0.2614E-84 0.2614E-84 N2,gas 0.1281-116 1.0000 0.4425E-51 0.4425E-51 SO2,gas 0.1496-135 1.0000 0.5164E-70 0.5164E-70 NON-Ideal mixing with H2O, AND ALL 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 H2,gas 8.42 -32.77 -41.19 -23.537 0.56195E+05 -41.190 3 H2S,gas -7.90 -165.44 -157.54 -78.772 0.21493E+06 -157.543 4 S2,gas -7.24 -265.35 -258.11 -39.710 0.35214E+06 -258.114 5 NO2,gas 76.52 41.15 -35.37 -8.084 0.48253E+05 -35.369 6 SO3,gas 23.88 -34.37 -58.24 -14.561 0.79460E+05 -58.243 7 O2,gas 66.26 65.54 -0.72 -0.480 0.98202E+03 -0.720 8 NH3,gas 11.04 -73.54 -84.58 -42.291 0.11539E+06 -84.583 9 N2,gas 2.57 -48.78 -51.35 -6.626 0.70062E+05 -51.354 10 SO2,gas 3.15 -67.14 -70.29 -18.743 0.95891E+05 -70.287 11 HCl,gas 6.31 -14.01 -20.31 -10.156 0.27711E+05 -20.311 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-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 = .1801000E-03 Osmotic coef. = 0.9898 True ionic strength = .2024437E-06 Chg. balance for total moles = -.1035E-20 Max. difference allowed = 0.1000E-10 Log Log Log Species(n) Molality Molality Activity Activity Gamma Gamma 1 H+ 0.10244E-06 -6.9895 0.10058E-06 -6.9975 0.98178E+00 -0.0080 2 H2O 0.10000E+01 0.0000 0.10000E+01 0.0000 3 Cl- 0.10000E-06 -7.0000 0.98178E-07 -7.0080 0.98178E+00 -0.0080 4 SO4-- 0.43229E-20 -20.3642 0.42374E-20 -20.3729 0.98023E+00 -0.0087 5 HS- 0.36409-158 -158.4388 0.35745-158 -158.4468 0.98178E+00 -0.0080 6 Na+ 0.10000E-06 -7.0000 0.98178E-07 -7.0080 0.98178E+00 -0.0080 7 NH4+ 0.34099E-80 -80.4673 0.33478E-80 -80.4752 0.98178E+00 -0.0080 8 HCl,aq 0.19254E-14 -14.7155 0.19254E-14 -14.7155 0.10000E+01 0.0000 9 HClO,aq 0.42915E-23 -23.3674 0.42915E-23 -23.3674 0.10000E+01 0.0000 10 ClO- 0.12249E-23 -23.9119 0.12026E-23 -23.9199 0.98178E+00 -0.0080 11 HClO2,aq 0.17608E-38 -38.7543 0.17608E-38 -38.7543 0.10000E+01 0.0000 12 H2,aq 0.50573E-44 -44.2961 0.50571E-44 -44.2961 0.99996E+00 0.0000 13 NH3,aq 0.19111E-82 -82.7187 0.19110E-82 -82.7187 0.99996E+00 0.0000 14 HNO2,aq 0.87407E-38 -38.0585 0.87407E-38 -38.0585 0.10000E+01 0.0000 15 NO2- 0.52727E-34 -34.2780 0.51766E-34 -34.2860 0.98178E+00 -0.0080 16 HNO3,aq 0.68967E-29 -29.1614 0.68967E-29 -29.1614 0.10000E+01 0.0000 17 NO3- 0.14000E-20 -20.8539 0.13745E-20 -20.8619 0.98178E+00 -0.0080 18 N2,aq 0.39158E-54 -54.4072 0.39156E-54 -54.4072 0.99996E+00 0.0000 19 N2O2-2 0.34164-103 -103.4664 0.33489-103 -103.4751 0.98023E+00 -0.0087 20 HN2O2- 0.33914E-99 -99.4696 0.33297E-99 -99.4776 0.98178E+00 -0.0080 21 H2N2O2,aq 0.36467E-99 -99.4381 0.36467E-99 -99.4381 0.10000E+01 0.0000 22 N2H5+ 0.92703-155 -155.0329 0.91015-155 -155.0409 0.98178E+00 -0.0080 23 N2H6+2 0.87757-163 -163.0567 0.86022-163 -163.0654 0.98023E+00 -0.0087 24 NaCl,aq 0.16108E-14 -14.7930 0.16108E-14 -14.7930 0.10000E+01 0.0000 25 NaOH,aq 0.60886E-14 -14.2155 0.60886E-14 -14.2155 0.10000E+01 0.0000 26 O2,aq 0.24000E-03 -3.6198 0.23999E-03 -3.6198 0.99996E+00 0.0000 27 OH- 0.10244E-06 -6.9895 0.10058E-06 -6.9975 0.98178E+00 -0.0080 28 HO2- 0.77016E-23 -23.1134 0.75613E-23 -23.1214 0.98178E+00 -0.0080 29 H2O2,aq 0.36736E-18 -18.4349 0.36736E-18 -18.4349 0.10000E+01 0.0000 30 H2S,aq 0.34973-158 -158.4563 0.34972-158 -158.4563 0.99996E+00 0.0000 36 SO2,aq 0.76385E-70 -70.1170 0.76385E-70 -70.1170 0.10000E+01 0.0000 37 SO3-2 0.66325E-65 -65.1783 0.65014E-65 -65.1870 0.98023E+00 -0.0087 38 HSO3- 0.10678E-64 -64.9715 0.10484E-64 -64.9795 0.98178E+00 -0.0080 39 HSO4- 0.41361E-25 -25.3834 0.40607E-25 -25.3914 0.98178E+00 -0.0080 40 HSO5- 0.34728E-46 -46.4593 0.34096E-46 -46.4673 0.98178E+00 -0.0080 41 S2O3-2 0.93217-181 -181.0305 0.91374-181 -181.0392 0.98023E+00 -0.0087 42 HS2O3- 0.45322-186 -186.3437 0.44496-186 -186.3517 0.98178E+00 -0.0080 43 H2S2O3,aq 0.17291-192 -192.7622 0.17291-192 -192.7622 0.10000E+01 0.0000 44 S2O4-2 0.17442-167 -167.7584 0.17097-167 -167.7671 0.98023E+00 -0.0087 45 HS2O4- 0.54501-172 -172.2636 0.53508-172 -172.2716 0.98178E+00 -0.0080 46 H2S2O4,aq 0.12500-178 -178.9031 0.12500-178 -178.9031 0.10000E+01 0.0000 47 S2O5-2 0.17088-134 -134.7673 0.16750-134 -134.7760 0.98023E+00 -0.0087 48 S2O6-2 0.45476-104 -104.3422 0.44577-104 -104.3509 0.98023E+00 -0.0087 49 S2O8-2 0.90777E-79 -79.0420 0.88982E-79 -79.0507 0.98023E+00 -0.0087 Charge balance for all species = -.5752E-20 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 0.1110E-15 1.0000 0.3083E-01 0.3083E-01 H2,gas 0.1389E-59 1.0000 0.6455E-41 0.6455E-41 H2S,gas 0.8289-223 1.0000 0.2862-157 0.2862-157 S2,gas 0.0000E+00 1.0000 0.7685-258 0.7685-258 NO2,gas 0.1445-100 1.0000 0.4990E-35 0.4990E-35 SO3,gas 0.1655-123 1.0000 0.5716E-58 0.5716E-58 O2,gas 0.1000E+01 1.0000 0.3453E+66 0.3453E+66 NH3,gas 0.8832-150 1.0000 0.3050E-84 0.3050E-84 N2,gas 0.1744-116 1.0000 0.6023E-51 0.6023E-51 SO2,gas 0.1496-135 1.0000 0.5164E-70 0.5164E-70 NON-Ideal mixing with H2O, AND ALL 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 H2,gas 8.42 -32.77 -41.19 -23.537 0.56195E+05 -41.190 3 H2S,gas -7.90 -165.44 -157.54 -78.772 0.21493E+06 -157.543 4 S2,gas -7.24 -265.35 -258.11 -39.710 0.35214E+06 -258.114 5 NO2,gas 76.52 41.21 -35.30 -8.069 0.48162E+05 -35.302 6 SO3,gas 23.88 -34.37 -58.24 -14.561 0.79460E+05 -58.243 7 O2,gas 66.26 65.54 -0.72 -0.480 0.98202E+03 -0.720 8 NH3,gas 11.04 -73.48 -84.52 -42.258 0.11530E+06 -84.516 9 N2,gas 2.57 -48.65 -51.22 -6.609 0.69879E+05 -51.220 10 SO2,gas 3.15 -67.14 -70.29 -18.743 0.95892E+05 -70.287 11 HCl,gas 6.31 -14.01 -20.31 -10.156 0.27711E+05 -20.311 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 = -.8352E-21 ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ 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 = .1801000E-03 Osmotic coef. = 0.9898 True ionic strength = .2024437E-06 Chg. balance for total moles = -.8352E-21 Max. difference allowed = 0.1000E-10 Log Log Log Species(n) Molality Molality Activity Activity Gamma Gamma 1 H+ 0.10244E-06 -6.9895 0.10058E-06 -6.9975 0.98178E+00 -0.0080 2 H2O 0.10000E+01 0.0000 0.10000E+01 0.0000 3 Cl- 0.10000E-06 -7.0000 0.98178E-07 -7.0080 0.98178E+00 -0.0080 4 SO4-- 0.43228E-20 -20.3642 0.42373E-20 -20.3729 0.98023E+00 -0.0087 5 HS- 0.36408-158 -158.4388 0.35744-158 -158.4468 0.98178E+00 -0.0080 6 Na+ 0.10000E-06 -7.0000 0.98178E-07 -7.0080 0.98178E+00 -0.0080 7 NH4+ 0.38970E-80 -80.4093 0.38260E-80 -80.4173 0.98178E+00 -0.0080 8 HCl,aq 0.19254E-14 -14.7155 0.19254E-14 -14.7155 0.10000E+01 0.0000 9 HClO,aq 0.42915E-23 -23.3674 0.42915E-23 -23.3674 0.10000E+01 0.0000 10 ClO- 0.12249E-23 -23.9119 0.12026E-23 -23.9199 0.98178E+00 -0.0080 11 HClO2,aq 0.17608E-38 -38.7543 0.17608E-38 -38.7543 0.10000E+01 0.0000 12 H2,aq 0.50573E-44 -44.2961 0.50571E-44 -44.2961 0.99996E+00 0.0000 13 NH3,aq 0.21841E-82 -82.6607 0.21840E-82 -82.6608 0.99996E+00 0.0000 14 HNO2,aq 0.99894E-38 -38.0005 0.99894E-38 -38.0005 0.10000E+01 0.0000 15 NO2- 0.60259E-34 -34.2200 0.59161E-34 -34.2280 0.98178E+00 -0.0080 16 HNO3,aq 0.78820E-29 -29.1034 0.78820E-29 -29.1034 0.10000E+01 0.0000 17 NO3- 0.16000E-20 -20.7959 0.15709E-20 -20.8039 0.98178E+00 -0.0080 18 N2,aq 0.51145E-54 -54.2912 0.51143E-54 -54.2912 0.99996E+00 0.0000 19 N2O2-2 0.44623-103 -103.3504 0.43741-103 -103.3591 0.98023E+00 -0.0087 20 HN2O2- 0.44296E-99 -99.3536 0.43489E-99 -99.3616 0.98178E+00 -0.0080 21 H2N2O2,aq 0.47630E-99 -99.3221 0.47630E-99 -99.3221 0.10000E+01 0.0000 22 N2H5+ 0.12108-154 -154.9169 0.11888-154 -154.9249 0.98178E+00 -0.0080 23 N2H6+2 0.11462-162 -162.9407 0.11236-162 -162.9494 0.98023E+00 -0.0087 24 NaCl,aq 0.16108E-14 -14.7930 0.16108E-14 -14.7930 0.10000E+01 0.0000 25 NaOH,aq 0.60886E-14 -14.2155 0.60886E-14 -14.2155 0.10000E+01 0.0000 26 O2,aq 0.24000E-03 -3.6198 0.23999E-03 -3.6198 0.99996E+00 0.0000 27 OH- 0.10244E-06 -6.9895 0.10058E-06 -6.9975 0.98178E+00 -0.0080 28 HO2- 0.77016E-23 -23.1134 0.75613E-23 -23.1214 0.98178E+00 -0.0080 29 H2O2,aq 0.36736E-18 -18.4349 0.36736E-18 -18.4349 0.10000E+01 0.0000 30 H2S,aq 0.34972-158 -158.4563 0.34971-158 -158.4563 0.99996E+00 0.0000 36 SO2,aq 0.76383E-70 -70.1170 0.76383E-70 -70.1170 0.10000E+01 0.0000 37 SO3-2 0.66324E-65 -65.1783 0.65013E-65 -65.1870 0.98023E+00 -0.0087 38 HSO3- 0.10678E-64 -64.9715 0.10483E-64 -64.9795 0.98178E+00 -0.0080 39 HSO4- 0.41360E-25 -25.3834 0.40606E-25 -25.3914 0.98178E+00 -0.0080 40 HSO5- 0.34728E-46 -46.4593 0.34095E-46 -46.4673 0.98178E+00 -0.0080 41 S2O3-2 0.93212-181 -181.0305 0.91369-181 -181.0392 0.98023E+00 -0.0087 42 HS2O3- 0.45320-186 -186.3437 0.44494-186 -186.3517 0.98178E+00 -0.0080 43 H2S2O3,aq 0.17290-192 -192.7622 0.17290-192 -192.7622 0.10000E+01 0.0000 44 S2O4-2 0.17441-167 -167.7584 0.17096-167 -167.7671 0.98023E+00 -0.0087 45 HS2O4- 0.54498-172 -172.2636 0.53505-172 -172.2716 0.98178E+00 -0.0080 46 H2S2O4,aq 0.12500-178 -178.9031 0.12500-178 -178.9031 0.10000E+01 0.0000 47 S2O5-2 0.17087-134 -134.7673 0.16749-134 -134.7760 0.98023E+00 -0.0087 48 S2O6-2 0.45474-104 -104.3422 0.44575-104 -104.3509 0.98023E+00 -0.0087 49 S2O8-2 0.90773E-79 -79.0420 0.88978E-79 -79.0507 0.98023E+00 -0.0087 Charge balance for all species = -.2059E-20 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 H2,gas 0.1869-106 1.0000 0.6455E-41 0.6455E-41 H2S,gas 0.8289-223 1.0000 0.2862-157 0.2862-157 S2,gas 0.0000E+00 1.0000 0.7684-258 0.7684-258 NO2,gas 0.1652-100 1.0000 0.5703E-35 0.5703E-35 SO3,gas 0.1655-123 1.0000 0.5716E-58 0.5716E-58 O2,gas 0.1000E+01 1.0000 0.3453E+66 0.3453E+66 NH3,gas 0.1009-149 1.0000 0.3485E-84 0.3485E-84 N2,gas 0.2278-116 1.0000 0.7867E-51 0.7867E-51 SO2,gas 0.1496-135 1.0000 0.5164E-70 0.5164E-70 NON-Ideal mixing with H2O, AND ALL 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 H2,gas 8.42 -32.77 -41.19 -23.537 0.56195E+05 -41.190 3 H2S,gas -7.90 -165.44 -157.54 -78.772 0.21493E+06 -157.543 4 S2,gas -7.24 -265.35 -258.11 -39.710 0.35214E+06 -258.114 5 NO2,gas 76.52 41.27 -35.24 -8.056 0.48083E+05 -35.244 6 SO3,gas 23.88 -34.37 -58.24 -14.561 0.79460E+05 -58.243 7 O2,gas 66.26 65.54 -0.72 -0.480 0.98202E+03 -0.720 8 NH3,gas 11.04 -73.42 -84.46 -42.229 0.11522E+06 -84.458 9 N2,gas 2.57 -48.53 -51.10 -6.594 0.69721E+05 -51.104 10 SO2,gas 3.15 -67.14 -70.29 -18.743 0.95892E+05 -70.287 11 HCl,gas 6.31 -14.01 -20.31 -10.156 0.27711E+05 -20.311 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 = -.6352E-21 ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ 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 = .1801000E-03 Osmotic coef. = 0.9898 True ionic strength = .2024437E-06 Chg. balance for total moles = -.6352E-21 Max. difference allowed = 0.1000E-10 Log Log Log Species(n) Molality Molality Activity Activity Gamma Gamma 1 H+ 0.10244E-06 -6.9895 0.10058E-06 -6.9975 0.98178E+00 -0.0080 2 H2O 0.10000E+01 0.0000 0.10000E+01 0.0000 3 Cl- 0.10000E-06 -7.0000 0.98178E-07 -7.0080 0.98178E+00 -0.0080 4 SO4-- 0.43227E-20 -20.3642 0.42372E-20 -20.3729 0.98023E+00 -0.0087 5 HS- 0.36407-158 -158.4388 0.35744-158 -158.4468 0.98178E+00 -0.0080 6 Na+ 0.10000E-06 -7.0000 0.98178E-07 -7.0080 0.98178E+00 -0.0080 7 NH4+ 0.43842E-80 -80.3581 0.43043E-80 -80.3661 0.98178E+00 -0.0080 8 HCl,aq 0.19254E-14 -14.7155 0.19254E-14 -14.7155 0.10000E+01 0.0000 9 HClO,aq 0.42915E-23 -23.3674 0.42915E-23 -23.3674 0.10000E+01 0.0000 10 ClO- 0.12249E-23 -23.9119 0.12026E-23 -23.9199 0.98178E+00 -0.0080 11 HClO2,aq 0.17608E-38 -38.7543 0.17608E-38 -38.7543 0.10000E+01 0.0000 12 H2,aq 0.50573E-44 -44.2961 0.50571E-44 -44.2961 0.99996E+00 0.0000 13 NH3,aq 0.24571E-82 -82.6096 0.24570E-82 -82.6096 0.99996E+00 0.0000 14 HNO2,aq 0.11238E-37 -37.9493 0.11238E-37 -37.9493 0.10000E+01 0.0000 15 NO2- 0.67792E-34 -34.1688 0.66557E-34 -34.1768 0.98178E+00 -0.0080 16 HNO3,aq 0.88672E-29 -29.0522 0.88672E-29 -29.0522 0.10000E+01 0.0000 17 NO3- 0.18000E-20 -20.7447 0.17672E-20 -20.7527 0.98178E+00 -0.0080 18 N2,aq 0.64731E-54 -54.1889 0.64728E-54 -54.1889 0.99996E+00 0.0000 19 N2O2-2 0.56476-103 -103.2481 0.55359-103 -103.2568 0.98023E+00 -0.0087 20 HN2O2- 0.56063E-99 -99.2513 0.55041E-99 -99.2593 0.98178E+00 -0.0080 21 H2N2O2,aq 0.60282E-99 -99.2198 0.60282E-99 -99.2198 0.10000E+01 0.0000 22 N2H5+ 0.15324-154 -154.8146 0.15045-154 -154.8226 0.98178E+00 -0.0080 23 N2H6+2 0.14507-162 -162.8384 0.14220-162 -162.8471 0.98023E+00 -0.0087 24 NaCl,aq 0.16108E-14 -14.7930 0.16108E-14 -14.7930 0.10000E+01 0.0000 25 NaOH,aq 0.60886E-14 -14.2155 0.60886E-14 -14.2155 0.10000E+01 0.0000 26 O2,aq 0.24000E-03 -3.6198 0.23999E-03 -3.6198 0.99996E+00 0.0000 27 OH- 0.10244E-06 -6.9895 0.10058E-06 -6.9975 0.98178E+00 -0.0080 28 HO2- 0.77016E-23 -23.1134 0.75613E-23 -23.1214 0.98178E+00 -0.0080 29 H2O2,aq 0.36736E-18 -18.4349 0.36736E-18 -18.4349 0.10000E+01 0.0000 30 H2S,aq 0.34972-158 -158.4563 0.34970-158 -158.4563 0.99996E+00 0.0000 36 SO2,aq 0.76381E-70 -70.1170 0.76381E-70 -70.1170 0.10000E+01 0.0000 37 SO3-2 0.66322E-65 -65.1783 0.65011E-65 -65.1870 0.98023E+00 -0.0087 38 HSO3- 0.10678E-64 -64.9715 0.10483E-64 -64.9795 0.98178E+00 -0.0080 39 HSO4- 0.41359E-25 -25.3834 0.40605E-25 -25.3914 0.98178E+00 -0.0080 40 HSO5- 0.34727E-46 -46.4593 0.34094E-46 -46.4673 0.98178E+00 -0.0080 41 S2O3-2 0.93208-181 -181.0305 0.91365-181 -181.0392 0.98023E+00 -0.0087 42 HS2O3- 0.45317-186 -186.3437 0.44492-186 -186.3517 0.98178E+00 -0.0080 43 H2S2O3,aq 0.17289-192 -192.7622 0.17289-192 -192.7622 0.10000E+01 0.0000 44 S2O4-2 0.17440-167 -167.7585 0.17095-167 -167.7671 0.98023E+00 -0.0087 45 HS2O4- 0.54496-172 -172.2636 0.53503-172 -172.2716 0.98178E+00 -0.0080 46 H2S2O4,aq 0.12499-178 -178.9031 0.12499-178 -178.9031 0.10000E+01 0.0000 47 S2O5-2 0.17086-134 -134.7674 0.16748-134 -134.7760 0.98023E+00 -0.0087 48 S2O6-2 0.45472-104 -104.3423 0.44573-104 -104.3509 0.98023E+00 -0.0087 49 S2O8-2 0.90768E-79 -79.0421 0.88974E-79 -79.0507 0.98023E+00 -0.0087 Charge balance for all species = 0.5313E-20 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 H2,gas 0.1869-106 1.0000 0.6455E-41 0.6455E-41 H2S,gas 0.8289-223 1.0000 0.2862-157 0.2862-157 S2,gas 0.0000E+00 1.0000 0.7684-258 0.7684-258 NO2,gas 0.1858-100 1.0000 0.6416E-35 0.6416E-35 SO3,gas 0.1655-123 1.0000 0.5716E-58 0.5716E-58 O2,gas 0.1000E+01 1.0000 0.3453E+66 0.3453E+66 NH3,gas 0.1136-149 1.0000 0.3921E-84 0.3921E-84 N2,gas 0.2883-116 1.0000 0.9956E-51 0.9956E-51 SO2,gas 0.1496-135 1.0000 0.5164E-70 0.5164E-70 NON-Ideal mixing with H2O, AND ALL 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 H2,gas 8.42 -32.77 -41.19 -23.537 0.56195E+05 -41.190 3 H2S,gas -7.90 -165.44 -157.54 -78.772 0.21493E+06 -157.543 4 S2,gas -7.24 -265.35 -258.11 -39.710 0.35214E+06 -258.114 5 NO2,gas 76.52 41.32 -35.19 -8.044 0.48013E+05 -35.193 6 SO3,gas 23.88 -34.37 -58.24 -14.561 0.79460E+05 -58.243 7 O2,gas 66.26 65.54 -0.72 -0.480 0.98202E+03 -0.720 8 NH3,gas 11.04 -73.37 -84.41 -42.203 0.11515E+06 -84.407 9 N2,gas 2.57 -48.43 -51.00 -6.581 0.69581E+05 -51.002 10 SO2,gas 3.15 -67.14 -70.29 -18.743 0.95892E+05 -70.287 11 HCl,gas 6.31 -14.01 -20.31 -10.156 0.27711E+05 -20.311 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 = -.4352E-21 ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ 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 = .1801000E-03 Osmotic coef. = 0.9898 True ionic strength = .2024437E-06 Chg. balance for total moles = -.4352E-21 Max. difference allowed = 0.1000E-10 Log Log Log Species(n) Molality Molality Activity Activity Gamma Gamma 1 H+ 0.10244E-06 -6.9895 0.10058E-06 -6.9975 0.98178E+00 -0.0080 2 H2O 0.10000E+01 0.0000 0.10000E+01 0.0000 3 Cl- 0.10000E-06 -7.0000 0.98178E-07 -7.0080 0.98178E+00 -0.0080 4 SO4-- 0.43226E-20 -20.3643 0.42371E-20 -20.3729 0.98023E+00 -0.0087 5 HS- 0.36406-158 -158.4388 0.35743-158 -158.4468 0.98178E+00 -0.0080 6 Na+ 0.10000E-06 -7.0000 0.98178E-07 -7.0080 0.98178E+00 -0.0080 7 NH4+ 0.48713E-80 -80.3124 0.47825E-80 -80.3203 0.98178E+00 -0.0080 8 HCl,aq 0.19254E-14 -14.7155 0.19254E-14 -14.7155 0.10000E+01 0.0000 9 HClO,aq 0.42915E-23 -23.3674 0.42915E-23 -23.3674 0.10000E+01 0.0000 10 ClO- 0.12249E-23 -23.9119 0.12026E-23 -23.9199 0.98178E+00 -0.0080 11 HClO2,aq 0.17608E-38 -38.7543 0.17608E-38 -38.7543 0.10000E+01 0.0000 12 H2,aq 0.50573E-44 -44.2961 0.50571E-44 -44.2961 0.99996E+00 0.0000 13 NH3,aq 0.27301E-82 -82.5638 0.27300E-82 -82.5638 0.99996E+00 0.0000 14 HNO2,aq 0.12487E-37 -37.9036 0.12487E-37 -37.9036 0.10000E+01 0.0000 15 NO2- 0.75324E-34 -34.1231 0.73952E-34 -34.1311 0.98178E+00 -0.0080 16 HNO3,aq 0.98525E-29 -29.0065 0.98525E-29 -29.0065 0.10000E+01 0.0000 17 NO3- 0.20000E-20 -20.6990 0.19636E-20 -20.7070 0.98178E+00 -0.0080 18 N2,aq 0.79915E-54 -54.0974 0.79911E-54 -54.0974 0.99996E+00 0.0000 19 N2O2-2 0.69723-103 -103.1566 0.68345-103 -103.1653 0.98023E+00 -0.0087 20 HN2O2- 0.69213E-99 -99.1598 0.67952E-99 -99.1678 0.98178E+00 -0.0080 21 H2N2O2,aq 0.74422E-99 -99.1283 0.74422E-99 -99.1283 0.10000E+01 0.0000 22 N2H5+ 0.18919-154 -154.7231 0.18574-154 -154.7311 0.98178E+00 -0.0080 23 N2H6+2 0.17910-162 -162.7469 0.17556-162 -162.7556 0.98023E+00 -0.0087 24 NaCl,aq 0.16108E-14 -14.7930 0.16108E-14 -14.7930 0.10000E+01 0.0000 25 NaOH,aq 0.60886E-14 -14.2155 0.60886E-14 -14.2155 0.10000E+01 0.0000 26 O2,aq 0.24000E-03 -3.6198 0.23999E-03 -3.6198 0.99996E+00 0.0000 27 OH- 0.10244E-06 -6.9895 0.10058E-06 -6.9975 0.98178E+00 -0.0080 28 HO2- 0.77016E-23 -23.1134 0.75613E-23 -23.1214 0.98178E+00 -0.0080 29 H2O2,aq 0.36736E-18 -18.4349 0.36736E-18 -18.4349 0.10000E+01 0.0000 30 H2S,aq 0.34971-158 -158.4563 0.34969-158 -158.4563 0.99996E+00 0.0000 36 SO2,aq 0.76379E-70 -70.1170 0.76379E-70 -70.1170 0.10000E+01 0.0000 37 SO3-2 0.66321E-65 -65.1784 0.65009E-65 -65.1870 0.98023E+00 -0.0087 38 HSO3- 0.10677E-64 -64.9715 0.10483E-64 -64.9795 0.98178E+00 -0.0080 39 HSO4- 0.41358E-25 -25.3834 0.40604E-25 -25.3914 0.98178E+00 -0.0080 40 HSO5- 0.34726E-46 -46.4593 0.34093E-46 -46.4673 0.98178E+00 -0.0080 41 S2O3-2 0.93203-181 -181.0306 0.91361-181 -181.0392 0.98023E+00 -0.0087 42 HS2O3- 0.45315-186 -186.3438 0.44490-186 -186.3517 0.98178E+00 -0.0080 43 H2S2O3,aq 0.17289-192 -192.7622 0.17289-192 -192.7622 0.10000E+01 0.0000 44 S2O4-2 0.17439-167 -167.7585 0.17094-167 -167.7671 0.98023E+00 -0.0087 45 HS2O4- 0.54493-172 -172.2637 0.53500-172 -172.2716 0.98178E+00 -0.0080 46 H2S2O4,aq 0.12498-178 -178.9031 0.12498-178 -178.9031 0.10000E+01 0.0000 47 S2O5-2 0.17085-134 -134.7674 0.16748-134 -134.7760 0.98023E+00 -0.0087 48 S2O6-2 0.45470-104 -104.3423 0.44571-104 -104.3510 0.98023E+00 -0.0087 49 S2O8-2 0.90764E-79 -79.0421 0.88970E-79 -79.0508 0.98023E+00 -0.0087 Charge balance for all species = -.6347E-20 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 0.1110E-15 1.0000 0.3083E-01 0.3083E-01 H2,gas 0.1389E-59 1.0000 0.6455E-41 0.6455E-41 H2S,gas 0.8289-223 1.0000 0.2862-157 0.2862-157 S2,gas 0.0000E+00 1.0000 0.7684-258 0.7684-258 NO2,gas 0.2064-100 1.0000 0.7128E-35 0.7128E-35 SO3,gas 0.1655-123 1.0000 0.5716E-58 0.5716E-58 O2,gas 0.1000E+01 1.0000 0.3453E+66 0.3453E+66 NH3,gas 0.1262-149 1.0000 0.4357E-84 0.4357E-84 N2,gas 0.3560-116 1.0000 0.1229E-50 0.1229E-50 SO2,gas 0.1495-135 1.0000 0.5164E-70 0.5164E-70 NON-Ideal mixing with H2O, AND ALL 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 H2,gas 8.42 -32.77 -41.19 -23.537 0.56195E+05 -41.190 3 H2S,gas -7.90 -165.44 -157.54 -78.772 0.21493E+06 -157.543 4 S2,gas -7.24 -265.35 -258.11 -39.710 0.35214E+06 -258.114 5 NO2,gas 76.52 41.37 -35.15 -8.034 0.47951E+05 -35.147 6 SO3,gas 23.88 -34.37 -58.24 -14.561 0.79460E+05 -58.243 7 O2,gas 66.26 65.54 -0.72 -0.480 0.98202E+03 -0.720 8 NH3,gas 11.04 -73.32 -84.36 -42.180 0.11509E+06 -84.361 9 N2,gas 2.57 -48.34 -50.91 -6.569 0.69456E+05 -50.910 10 SO2,gas 3.15 -67.14 -70.29 -18.743 0.95892E+05 -70.287 11 HCl,gas 6.31 -14.01 -20.31 -10.156 0.27711E+05 -20.311 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 = -.2352E-21 ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ 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 = .1801000E-03 Osmotic coef. = 0.9898 True ionic strength = .2024437E-06 Chg. balance for total moles = -.2352E-21 Max. difference allowed = 0.1000E-10 Log Log Log Species(n) Molality Molality Activity Activity Gamma Gamma 1 H+ 0.10244E-06 -6.9895 0.10058E-06 -6.9975 0.98178E+00 -0.0080 2 H2O 0.10000E+01 0.0000 0.10000E+01 0.0000 3 Cl- 0.10000E-06 -7.0000 0.98178E-07 -7.0080 0.98178E+00 -0.0080 4 SO4-- 0.43225E-20 -20.3643 0.42370E-20 -20.3729 0.98023E+00 -0.0087 5 HS- 0.36405-158 -158.4388 0.35742-158 -158.4468 0.98178E+00 -0.0080 6 Na+ 0.10000E-06 -7.0000 0.98178E-07 -7.0080 0.98178E+00 -0.0080 7 NH4+ 0.53584E-80 -80.2710 0.52608E-80 -80.2789 0.98178E+00 -0.0080 8 HCl,aq 0.19254E-14 -14.7155 0.19254E-14 -14.7155 0.10000E+01 0.0000 9 HClO,aq 0.42915E-23 -23.3674 0.42915E-23 -23.3674 0.10000E+01 0.0000 10 ClO- 0.12249E-23 -23.9119 0.12026E-23 -23.9199 0.98178E+00 -0.0080 11 HClO2,aq 0.17608E-38 -38.7543 0.17608E-38 -38.7543 0.10000E+01 0.0000 12 H2,aq 0.50573E-44 -44.2961 0.50571E-44 -44.2961 0.99996E+00 0.0000 13 NH3,aq 0.30031E-82 -82.5224 0.30030E-82 -82.5224 0.99996E+00 0.0000 14 HNO2,aq 0.13735E-37 -37.8622 0.13735E-37 -37.8622 0.10000E+01 0.0000 15 NO2- 0.82856E-34 -34.0817 0.81347E-34 -34.0897 0.98178E+00 -0.0080 16 HNO3,aq 0.10838E-28 -28.9651 0.10838E-28 -28.9651 0.10000E+01 0.0000 17 NO3- 0.22000E-20 -20.6576 0.21599E-20 -20.6656 0.98178E+00 -0.0080 18 N2,aq 0.96697E-54 -54.0146 0.96693E-54 -54.0146 0.99996E+00 0.0000 19 N2O2-2 0.84365-103 -103.0738 0.82697-103 -103.0825 0.98023E+00 -0.0087 20 HN2O2- 0.83748E-99 -99.0770 0.82222E-99 -99.0850 0.98178E+00 -0.0080 21 H2N2O2,aq 0.90051E-99 -99.0455 0.90051E-99 -99.0455 0.10000E+01 0.0000 22 N2H5+ 0.22892-154 -154.6403 0.22475-154 -154.6483 0.98178E+00 -0.0080 23 N2H6+2 0.21671-162 -162.6641 0.21242-162 -162.6728 0.98023E+00 -0.0087 24 NaCl,aq 0.16108E-14 -14.7930 0.16108E-14 -14.7930 0.10000E+01 0.0000 25 NaOH,aq 0.60886E-14 -14.2155 0.60886E-14 -14.2155 0.10000E+01 0.0000 26 O2,aq 0.24000E-03 -3.6198 0.23999E-03 -3.6198 0.99996E+00 0.0000 27 OH- 0.10244E-06 -6.9895 0.10058E-06 -6.9975 0.98178E+00 -0.0080 28 HO2- 0.77016E-23 -23.1134 0.75613E-23 -23.1214 0.98178E+00 -0.0080 29 H2O2,aq 0.36736E-18 -18.4349 0.36736E-18 -18.4349 0.10000E+01 0.0000 30 H2S,aq 0.34970-158 -158.4563 0.34968-158 -158.4563 0.99996E+00 0.0000 36 SO2,aq 0.76378E-70 -70.1170 0.76378E-70 -70.1170 0.10000E+01 0.0000 37 SO3-2 0.66319E-65 -65.1784 0.65008E-65 -65.1870 0.98023E+00 -0.0087 38 HSO3- 0.10677E-64 -64.9715 0.10483E-64 -64.9795 0.98178E+00 -0.0080 39 HSO4- 0.41357E-25 -25.3835 0.40603E-25 -25.3914 0.98178E+00 -0.0080 40 HSO5- 0.34725E-46 -46.4594 0.34093E-46 -46.4673 0.98178E+00 -0.0080 41 S2O3-2 0.93199-181 -181.0306 0.91356-181 -181.0393 0.98023E+00 -0.0087 42 HS2O3- 0.45313-186 -186.3438 0.44488-186 -186.3518 0.98178E+00 -0.0080 43 H2S2O3,aq 0.17288-192 -192.7623 0.17288-192 -192.7623 0.10000E+01 0.0000 44 S2O4-2 0.17438-167 -167.7585 0.17094-167 -167.7672 0.98023E+00 -0.0087 45 HS2O4- 0.54490-172 -172.2637 0.53498-172 -172.2717 0.98178E+00 -0.0080 46 H2S2O4,aq 0.12498-178 -178.9032 0.12498-178 -178.9032 0.10000E+01 0.0000 47 S2O5-2 0.17085-134 -134.7674 0.16747-134 -134.7761 0.98023E+00 -0.0087 48 S2O6-2 0.45467-104 -104.3423 0.44569-104 -104.3510 0.98023E+00 -0.0087 49 S2O8-2 0.90760E-79 -79.0421 0.88965E-79 -79.0508 0.98023E+00 -0.0087 Charge balance for all species = -.2655E-20 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 H2,gas 0.1869-106 1.0000 0.6455E-41 0.6455E-41 H2S,gas 0.8289-223 1.0000 0.2862-157 0.2862-157 S2,gas 0.0000E+00 1.0000 0.7683-258 0.7683-258 NO2,gas 0.2271-100 1.0000 0.7841E-35 0.7841E-35 SO3,gas 0.1655-123 1.0000 0.5716E-58 0.5716E-58 O2,gas 0.1000E+01 1.0000 0.3453E+66 0.3453E+66 NH3,gas 0.1388-149 1.0000 0.4792E-84 0.4792E-84 N2,gas 0.4307-116 1.0000 0.1487E-50 0.1487E-50 SO2,gas 0.1495-135 1.0000 0.5164E-70 0.5164E-70 NON-Ideal mixing with H2O, AND ALL 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 H2,gas 8.42 -32.77 -41.19 -23.537 0.56195E+05 -41.190 3 H2S,gas -7.90 -165.44 -157.54 -78.772 0.21493E+06 -157.543 4 S2,gas -7.24 -265.35 -258.11 -39.710 0.35214E+06 -258.114 5 NO2,gas 76.52 41.41 -35.11 -8.024 0.47894E+05 -35.106 6 SO3,gas 23.88 -34.37 -58.24 -14.561 0.79460E+05 -58.243 7 O2,gas 66.26 65.54 -0.72 -0.480 0.98202E+03 -0.720 8 NH3,gas 11.04 -73.28 -84.32 -42.160 0.11504E+06 -84.319 9 N2,gas 2.57 -48.26 -50.83 -6.558 0.69343E+05 -50.828 10 SO2,gas 3.15 -67.14 -70.29 -18.743 0.95892E+05 -70.287 11 HCl,gas 6.31 -14.01 -20.31 -10.156 0.27711E+05 -20.311 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 = -.3522E-22 ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ 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 = .1801000E-03 Osmotic coef. = 0.9898 True ionic strength = .2024437E-06 Chg. balance for total moles = -.3522E-22 Max. difference allowed = 0.1000E-10 Log Log Log Species(n) Molality Molality Activity Activity Gamma Gamma 1 H+ 0.10244E-06 -6.9895 0.10058E-06 -6.9975 0.98178E+00 -0.0080 2 H2O 0.10000E+01 0.0000 0.10000E+01 0.0000 3 Cl- 0.10000E-06 -7.0000 0.98178E-07 -7.0080 0.98178E+00 -0.0080 4 SO4-- 0.43224E-20 -20.3643 0.42369E-20 -20.3729 0.98023E+00 -0.0087 5 HS- 0.36404-158 -158.4388 0.35741-158 -158.4468 0.98178E+00 -0.0080 6 Na+ 0.10000E-06 -7.0000 0.98178E-07 -7.0080 0.98178E+00 -0.0080 7 NH4+ 0.58456E-80 -80.2332 0.57391E-80 -80.2412 0.98178E+00 -0.0080 8 HCl,aq 0.19254E-14 -14.7155 0.19254E-14 -14.7155 0.10000E+01 0.0000 9 HClO,aq 0.42915E-23 -23.3674 0.42915E-23 -23.3674 0.10000E+01 0.0000 10 ClO- 0.12249E-23 -23.9119 0.12026E-23 -23.9199 0.98178E+00 -0.0080 11 HClO2,aq 0.17608E-38 -38.7543 0.17608E-38 -38.7543 0.10000E+01 0.0000 12 H2,aq 0.50573E-44 -44.2961 0.50571E-44 -44.2961 0.99996E+00 0.0000 13 NH3,aq 0.32761E-82 -82.4846 0.32760E-82 -82.4847 0.99996E+00 0.0000 14 HNO2,aq 0.14984E-37 -37.8244 0.14984E-37 -37.8244 0.10000E+01 0.0000 15 NO2- 0.90389E-34 -34.0439 0.88742E-34 -34.0519 0.98178E+00 -0.0080 16 HNO3,aq 0.11823E-28 -28.9273 0.11823E-28 -28.9273 0.10000E+01 0.0000 17 NO3- 0.24000E-20 -20.6198 0.23563E-20 -20.6278 0.98178E+00 -0.0080 18 N2,aq 0.11508E-53 -53.9390 0.11507E-53 -53.9390 0.99996E+00 0.0000 19 N2O2-2 0.10040-102 -102.9983 0.98416-103 -103.0069 0.98023E+00 -0.0087 20 HN2O2- 0.99667E-99 -99.0014 0.97851E-99 -99.0094 0.98178E+00 -0.0080 21 H2N2O2,aq 0.10717E-98 -98.9699 0.10717E-98 -98.9699 0.10000E+01 0.0000 22 N2H5+ 0.27243-154 -154.5647 0.26747-154 -154.5727 0.98178E+00 -0.0080 23 N2H6+2 0.25790-162 -162.5886 0.25280-162 -162.5972 0.98023E+00 -0.0087 24 NaCl,aq 0.16108E-14 -14.7930 0.16108E-14 -14.7930 0.10000E+01 0.0000 25 NaOH,aq 0.60886E-14 -14.2155 0.60886E-14 -14.2155 0.10000E+01 0.0000 26 O2,aq 0.24000E-03 -3.6198 0.23999E-03 -3.6198 0.99996E+00 0.0000 27 OH- 0.10244E-06 -6.9895 0.10058E-06 -6.9975 0.98178E+00 -0.0080 28 HO2- 0.77016E-23 -23.1134 0.75613E-23 -23.1214 0.98178E+00 -0.0080 29 H2O2,aq 0.36736E-18 -18.4349 0.36736E-18 -18.4349 0.10000E+01 0.0000 30 H2S,aq 0.34969-158 -158.4563 0.34968-158 -158.4563 0.99996E+00 0.0000 36 SO2,aq 0.76376E-70 -70.1170 0.76376E-70 -70.1170 0.10000E+01 0.0000 37 SO3-2 0.66317E-65 -65.1784 0.65006E-65 -65.1870 0.98023E+00 -0.0087 38 HSO3- 0.10677E-64 -64.9716 0.10482E-64 -64.9795 0.98178E+00 -0.0080 39 HSO4- 0.41356E-25 -25.3835 0.40602E-25 -25.3914 0.98178E+00 -0.0080 40 HSO5- 0.34724E-46 -46.4594 0.34092E-46 -46.4674 0.98178E+00 -0.0080 41 S2O3-2 0.93194-181 -181.0306 0.91352-181 -181.0393 0.98023E+00 -0.0087 42 HS2O3- 0.45311-186 -186.3438 0.44485-186 -186.3518 0.98178E+00 -0.0080 43 H2S2O3,aq 0.17287-192 -192.7623 0.17287-192 -192.7623 0.10000E+01 0.0000 44 S2O4-2 0.17438-167 -167.7585 0.17093-167 -167.7672 0.98023E+00 -0.0087 45 HS2O4- 0.54488-172 -172.2637 0.53495-172 -172.2717 0.98178E+00 -0.0080 46 H2S2O4,aq 0.12497-178 -178.9032 0.12497-178 -178.9032 0.10000E+01 0.0000 47 S2O5-2 0.17084-134 -134.7674 0.16746-134 -134.7761 0.98023E+00 -0.0087 48 S2O6-2 0.45465-104 -104.3423 0.44566-104 -104.3510 0.98023E+00 -0.0087 49 S2O8-2 0.90755E-79 -79.0421 0.88961E-79 -79.0508 0.98023E+00 -0.0087 Charge balance for all species = 0.4717E-20 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 0.1110E-15 1.0000 0.3083E-01 0.3083E-01 H2,gas 0.1389E-59 1.0000 0.6455E-41 0.6455E-41 H2S,gas 0.8288-223 1.0000 0.2862-157 0.2862-157 S2,gas 0.0000E+00 1.0000 0.7683-258 0.7683-258 NO2,gas 0.2477-100 1.0000 0.8554E-35 0.8554E-35 SO3,gas 0.1655-123 1.0000 0.5715E-58 0.5715E-58 O2,gas 0.1000E+01 1.0000 0.3453E+66 0.3453E+66 NH3,gas 0.1514-149 1.0000 0.5228E-84 0.5228E-84 N2,gas 0.5126-116 1.0000 0.1770E-50 0.1770E-50 SO2,gas 0.1495-135 1.0000 0.5164E-70 0.5164E-70 NON-Ideal mixing with H2O, AND ALL 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 H2,gas 8.42 -32.77 -41.19 -23.537 0.56195E+05 -41.190 3 H2S,gas -7.90 -165.44 -157.54 -78.772 0.21493E+06 -157.543 4 S2,gas -7.24 -265.35 -258.11 -39.710 0.35214E+06 -258.114 5 NO2,gas 76.52 41.45 -35.07 -8.016 0.47843E+05 -35.068 6 SO3,gas 23.88 -34.37 -58.24 -14.561 0.79460E+05 -58.243 7 O2,gas 66.26 65.54 -0.72 -0.480 0.98202E+03 -0.720 8 NH3,gas 11.04 -73.24 -84.28 -42.141 0.11498E+06 -84.282 9 N2,gas 2.57 -48.18 -50.75 -6.549 0.69240E+05 -50.752 10 SO2,gas 3.15 -67.14 -70.29 -18.743 0.95892E+05 -70.287 11 HCl,gas 6.31 -14.01 -20.31 -10.156 0.27711E+05 -20.311 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 = 0.1648E-21 ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ 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 = .1801000E-03 Osmotic coef. = 0.9898 True ionic strength = .2024437E-06 Chg. balance for total moles = 0.1648E-21 Max. difference allowed = 0.1000E-10 Log Log Log Species(n) Molality Molality Activity Activity Gamma Gamma 1 H+ 0.10244E-06 -6.9895 0.10058E-06 -6.9975 0.98178E+00 -0.0080 2 H2O 0.10000E+01 0.0000 0.10000E+01 0.0000 3 Cl- 0.10000E-06 -7.0000 0.98178E-07 -7.0080 0.98178E+00 -0.0080 4 SO4-- 0.43223E-20 -20.3643 0.42368E-20 -20.3730 0.98023E+00 -0.0087 5 HS- 0.36403-158 -158.4389 0.35740-158 -158.4468 0.98178E+00 -0.0080 6 Na+ 0.10000E-06 -7.0000 0.98178E-07 -7.0080 0.98178E+00 -0.0080 7 NH4+ 0.63327E-80 -80.1984 0.62173E-80 -80.2064 0.98178E+00 -0.0080 8 HCl,aq 0.19254E-14 -14.7155 0.19254E-14 -14.7155 0.10000E+01 0.0000 9 HClO,aq 0.42915E-23 -23.3674 0.42915E-23 -23.3674 0.10000E+01 0.0000 10 ClO- 0.12249E-23 -23.9119 0.12026E-23 -23.9199 0.98178E+00 -0.0080 11 HClO2,aq 0.17608E-38 -38.7543 0.17608E-38 -38.7543 0.10000E+01 0.0000 12 H2,aq 0.50573E-44 -44.2961 0.50571E-44 -44.2961 0.99996E+00 0.0000 13 NH3,aq 0.35491E-82 -82.4499 0.35490E-82 -82.4499 0.99996E+00 0.0000 14 HNO2,aq 0.16233E-37 -37.7896 0.16233E-37 -37.7896 0.10000E+01 0.0000 15 NO2- 0.97921E-34 -34.0091 0.96137E-34 -34.0171 0.98178E+00 -0.0080 16 HNO3,aq 0.12808E-28 -28.8925 0.12808E-28 -28.8925 0.10000E+01 0.0000 17 NO3- 0.26000E-20 -20.5850 0.25526E-20 -20.5930 0.98178E+00 -0.0080 18 N2,aq 0.13506E-53 -53.8695 0.13505E-53 -53.8695 0.99996E+00 0.0000 19 N2O2-2 0.11783-102 -102.9287 0.11550-102 -102.9374 0.98023E+00 -0.0087 20 HN2O2- 0.11697E-98 -98.9319 0.11484E-98 -98.9399 0.98178E+00 -0.0080 21 H2N2O2,aq 0.12577E-98 -98.9004 0.12577E-98 -98.9004 0.10000E+01 0.0000 22 N2H5+ 0.31973-154 -154.4952 0.31391-154 -154.5032 0.98178E+00 -0.0080 23 N2H6+2 0.30267-162 -162.5190 0.29669-162 -162.5277 0.98023E+00 -0.0087 24 NaCl,aq 0.16108E-14 -14.7930 0.16108E-14 -14.7930 0.10000E+01 0.0000 25 NaOH,aq 0.60886E-14 -14.2155 0.60886E-14 -14.2155 0.10000E+01 0.0000 26 O2,aq 0.24000E-03 -3.6198 0.23999E-03 -3.6198 0.99996E+00 0.0000 27 OH- 0.10244E-06 -6.9895 0.10058E-06 -6.9975 0.98178E+00 -0.0080 28 HO2- 0.77016E-23 -23.1134 0.75613E-23 -23.1214 0.98178E+00 -0.0080 29 H2O2,aq 0.36736E-18 -18.4349 0.36736E-18 -18.4349 0.10000E+01 0.0000 30 H2S,aq 0.34968-158 -158.4563 0.34967-158 -158.4563 0.99996E+00 0.0000 36 SO2,aq 0.76374E-70 -70.1171 0.76374E-70 -70.1171 0.10000E+01 0.0000 37 SO3-2 0.66316E-65 -65.1784 0.65005E-65 -65.1871 0.98023E+00 -0.0087 38 HSO3- 0.10677E-64 -64.9716 0.10482E-64 -64.9796 0.98178E+00 -0.0080 39 HSO4- 0.41355E-25 -25.3835 0.40601E-25 -25.3915 0.98178E+00 -0.0080 40 HSO5- 0.34723E-46 -46.4594 0.34091E-46 -46.4674 0.98178E+00 -0.0080 41 S2O3-2 0.93190-181 -181.0306 0.91348-181 -181.0393 0.98023E+00 -0.0087 42 HS2O3- 0.45309-186 -186.3438 0.44483-186 -186.3518 0.98178E+00 -0.0080 43 H2S2O3,aq 0.17286-192 -192.7623 0.17286-192 -192.7623 0.10000E+01 0.0000 44 S2O4-2 0.17437-167 -167.7585 0.17092-167 -167.7672 0.98023E+00 -0.0087 45 HS2O4- 0.54485-172 -172.2637 0.53493-172 -172.2717 0.98178E+00 -0.0080 46 H2S2O4,aq 0.12497-178 -178.9032 0.12497-178 -178.9032 0.10000E+01 0.0000 47 S2O5-2 0.17083-134 -134.7674 0.16745-134 -134.7761 0.98023E+00 -0.0087 48 S2O6-2 0.45463-104 -104.3423 0.44564-104 -104.3510 0.98023E+00 -0.0087 49 S2O8-2 0.90751E-79 -79.0421 0.88957E-79 -79.0508 0.98023E+00 -0.0087 Charge balance for all species = -.6943E-20 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 0.1110E-15 1.0000 0.3083E-01 0.3083E-01 H2,gas 0.1389E-59 1.0000 0.6455E-41 0.6455E-41 H2S,gas 0.8288-223 1.0000 0.2862-157 0.2862-157 S2,gas 0.0000E+00 1.0000 0.7683-258 0.7683-258 NO2,gas 0.2684-100 1.0000 0.9267E-35 0.9267E-35 SO3,gas 0.1655-123 1.0000 0.5715E-58 0.5715E-58 O2,gas 0.1000E+01 1.0000 0.3453E+66 0.3453E+66 NH3,gas 0.1640-149 1.0000 0.5664E-84 0.5664E-84 N2,gas 0.6016-116 1.0000 0.2077E-50 0.2077E-50 SO2,gas 0.1495-135 1.0000 0.5164E-70 0.5164E-70 NON-Ideal mixing with H2O, AND ALL 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 H2,gas 8.42 -32.77 -41.19 -23.537 0.56195E+05 -41.190 3 H2S,gas -7.90 -165.44 -157.54 -78.772 0.21493E+06 -157.543 4 S2,gas -7.24 -265.35 -258.11 -39.710 0.35214E+06 -258.114 5 NO2,gas 76.52 41.48 -35.03 -8.008 0.47795E+05 -35.033 6 SO3,gas 23.88 -34.37 -58.24 -14.561 0.79460E+05 -58.243 7 O2,gas 66.26 65.54 -0.72 -0.480 0.98202E+03 -0.720 8 NH3,gas 11.04 -73.21 -84.25 -42.123 0.11494E+06 -84.247 9 N2,gas 2.57 -48.11 -50.68 -6.540 0.69145E+05 -50.683 10 SO2,gas 3.15 -67.14 -70.29 -18.743 0.95892E+05 -70.287 11 HCl,gas 6.31 -14.01 -20.31 -10.156 0.27711E+05 -20.311 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 = 0.3648E-21 ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ 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 = .1801000E-03 Osmotic coef. = 0.9898 True ionic strength = .2024437E-06 Chg. balance for total moles = 0.3648E-21 Max. difference allowed = 0.1000E-10 Log Log Log Species(n) Molality Molality Activity Activity Gamma Gamma 1 H+ 0.10244E-06 -6.9895 0.10058E-06 -6.9975 0.98178E+00 -0.0080 2 H2O 0.10000E+01 0.0000 0.10000E+01 0.0000 3 Cl- 0.10000E-06 -7.0000 0.98178E-07 -7.0080 0.98178E+00 -0.0080 4 SO4-- 0.43222E-20 -20.3643 0.42367E-20 -20.3730 0.98023E+00 -0.0087 5 HS- 0.36402-158 -158.4389 0.35739-158 -158.4469 0.98178E+00 -0.0080 6 Na+ 0.10000E-06 -7.0000 0.98178E-07 -7.0080 0.98178E+00 -0.0080 7 NH4+ 0.68198E-80 -80.1662 0.66956E-80 -80.1742 0.98178E+00 -0.0080 8 HCl,aq 0.19254E-14 -14.7155 0.19254E-14 -14.7155 0.10000E+01 0.0000 9 HClO,aq 0.42915E-23 -23.3674 0.42915E-23 -23.3674 0.10000E+01 0.0000 10 ClO- 0.12249E-23 -23.9119 0.12026E-23 -23.9199 0.98178E+00 -0.0080 11 HClO2,aq 0.17608E-38 -38.7543 0.17608E-38 -38.7543 0.10000E+01 0.0000 12 H2,aq 0.50573E-44 -44.2961 0.50571E-44 -44.2961 0.99996E+00 0.0000 13 NH3,aq 0.38221E-82 -82.4177 0.38220E-82 -82.4177 0.99996E+00 0.0000 14 HNO2,aq 0.17481E-37 -37.7574 0.17481E-37 -37.7574 0.10000E+01 0.0000 15 NO2- 0.10545E-33 -33.9769 0.10353E-33 -33.9849 0.98178E+00 -0.0080 16 HNO3,aq 0.13793E-28 -28.8603 0.13793E-28 -28.8603 0.10000E+01 0.0000 17 NO3- 0.28000E-20 -20.5528 0.27490E-20 -20.5608 0.98178E+00 -0.0080 18 N2,aq 0.15663E-53 -53.8051 0.15663E-53 -53.8051 0.99996E+00 0.0000 19 N2O2-2 0.13666-102 -102.8644 0.13396-102 -102.8730 0.98023E+00 -0.0087 20 HN2O2- 0.13566E-98 -98.8676 0.13319E-98 -98.8755 0.98178E+00 -0.0080 21 H2N2O2,aq 0.14587E-98 -98.8360 0.14587E-98 -98.8360 0.10000E+01 0.0000 22 N2H5+ 0.37081-154 -154.4308 0.36406-154 -154.4388 0.98178E+00 -0.0080 23 N2H6+2 0.35103-162 -162.4547 0.34409-162 -162.4633 0.98023E+00 -0.0087 24 NaCl,aq 0.16108E-14 -14.7930 0.16108E-14 -14.7930 0.10000E+01 0.0000 25 NaOH,aq 0.60886E-14 -14.2155 0.60886E-14 -14.2155 0.10000E+01 0.0000 26 O2,aq 0.24000E-03 -3.6198 0.23999E-03 -3.6198 0.99996E+00 0.0000 27 OH- 0.10244E-06 -6.9895 0.10058E-06 -6.9975 0.98178E+00 -0.0080 28 HO2- 0.77016E-23 -23.1134 0.75613E-23 -23.1214 0.98178E+00 -0.0080 29 H2O2,aq 0.36736E-18 -18.4349 0.36736E-18 -18.4349 0.10000E+01 0.0000 30 H2S,aq 0.34967-158 -158.4563 0.34966-158 -158.4564 0.99996E+00 0.0000 36 SO2,aq 0.76372E-70 -70.1171 0.76372E-70 -70.1171 0.10000E+01 0.0000 37 SO3-2 0.66314E-65 -65.1784 0.65003E-65 -65.1871 0.98023E+00 -0.0087 38 HSO3- 0.10676E-64 -64.9716 0.10482E-64 -64.9796 0.98178E+00 -0.0080 39 HSO4- 0.41354E-25 -25.3835 0.40600E-25 -25.3915 0.98178E+00 -0.0080 40 HSO5- 0.34723E-46 -46.4594 0.34090E-46 -46.4674 0.98178E+00 -0.0080 41 S2O3-2 0.93186-181 -181.0307 0.91343-181 -181.0393 0.98023E+00 -0.0087 42 HS2O3- 0.45307-186 -186.3438 0.44481-186 -186.3518 0.98178E+00 -0.0080 43 H2S2O3,aq 0.17285-192 -192.7623 0.17285-192 -192.7623 0.10000E+01 0.0000 44 S2O4-2 0.17436-167 -167.7586 0.17091-167 -167.7672 0.98023E+00 -0.0087 45 HS2O4- 0.54483-172 -172.2637 0.53490-172 -172.2717 0.98178E+00 -0.0080 46 H2S2O4,aq 0.12496-178 -178.9032 0.12496-178 -178.9032 0.10000E+01 0.0000 47 S2O5-2 0.17082-134 -134.7675 0.16744-134 -134.7761 0.98023E+00 -0.0087 48 S2O6-2 0.45461-104 -104.3424 0.44562-104 -104.3510 0.98023E+00 -0.0087 49 S2O8-2 0.90747E-79 -79.0422 0.88953E-79 -79.0508 0.98023E+00 -0.0087 Charge balance for all species = -.3264E-20 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 0.1110E-15 1.0000 0.3083E-01 0.3083E-01 H2,gas 0.1389E-59 1.0000 0.6455E-41 0.6455E-41 H2S,gas 0.8288-223 1.0000 0.2862-157 0.2862-157 S2,gas 0.0000E+00 1.0000 0.7682-258 0.7682-258 NO2,gas 0.2890-100 1.0000 0.9980E-35 0.9980E-35 SO3,gas 0.1655-123 1.0000 0.5715E-58 0.5715E-58 O2,gas 0.1000E+01 1.0000 0.3453E+66 0.3453E+66 NH3,gas 0.1766-149 1.0000 0.6099E-84 0.6099E-84 N2,gas 0.6977-116 1.0000 0.2409E-50 0.2409E-50 SO2,gas 0.1495-135 1.0000 0.5163E-70 0.5163E-70 NON-Ideal mixing with H2O, AND ALL 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 H2,gas 8.42 -32.77 -41.19 -23.537 0.56195E+05 -41.190 3 H2S,gas -7.90 -165.44 -157.54 -78.772 0.21493E+06 -157.543 4 S2,gas -7.24 -265.35 -258.11 -39.710 0.35214E+06 -258.115 5 NO2,gas 76.52 41.52 -35.00 -8.000 0.47751E+05 -35.001 6 SO3,gas 23.88 -34.37 -58.24 -14.561 0.79460E+05 -58.243 7 O2,gas 66.26 65.54 -0.72 -0.480 0.98202E+03 -0.720 8 NH3,gas 11.04 -73.18 -84.21 -42.107 0.11489E+06 -84.215 9 N2,gas 2.57 -48.05 -50.62 -6.531 0.69058E+05 -50.618 10 SO2,gas 3.15 -67.14 -70.29 -18.743 0.95892E+05 -70.287 11 HCl,gas 6.31 -14.01 -20.31 -10.156 0.27711E+05 -20.311 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 = 0.5648E-21 ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ 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 = .1801000E-03 Osmotic coef. = 0.9898 True ionic strength = .2024437E-06 Chg. balance for total moles = 0.5648E-21 Max. difference allowed = 0.1000E-10 Log Log Log Species(n) Molality Molality Activity Activity Gamma Gamma 1 H+ 0.10244E-06 -6.9895 0.10058E-06 -6.9975 0.98178E+00 -0.0080 2 H2O 0.10000E+01 0.0000 0.10000E+01 0.0000 3 Cl- 0.10000E-06 -7.0000 0.98178E-07 -7.0080 0.98178E+00 -0.0080 4 SO4-- 0.43221E-20 -20.3643 0.42366E-20 -20.3730 0.98023E+00 -0.0087 5 HS- 0.36402-158 -158.4389 0.35738-158 -158.4469 0.98178E+00 -0.0080 6 Na+ 0.10000E-06 -7.0000 0.98178E-07 -7.0080 0.98178E+00 -0.0080 7 NH4+ 0.73069E-80 -80.1363 0.71738E-80 -80.1442 0.98178E+00 -0.0080 8 HCl,aq 0.19254E-14 -14.7155 0.19254E-14 -14.7155 0.10000E+01 0.0000 9 HClO,aq 0.42915E-23 -23.3674 0.42915E-23 -23.3674 0.10000E+01 0.0000 10 ClO- 0.12249E-23 -23.9119 0.12026E-23 -23.9199 0.98178E+00 -0.0080 11 HClO2,aq 0.17608E-38 -38.7543 0.17608E-38 -38.7543 0.10000E+01 0.0000 12 H2,aq 0.50573E-44 -44.2961 0.50571E-44 -44.2961 0.99996E+00 0.0000 13 NH3,aq 0.40951E-82 -82.3877 0.40950E-82 -82.3877 0.99996E+00 0.0000 14 HNO2,aq 0.18730E-37 -37.7275 0.18730E-37 -37.7275 0.10000E+01 0.0000 15 NO2- 0.11299E-33 -33.9470 0.11093E-33 -33.9550 0.98178E+00 -0.0080 16 HNO3,aq 0.14779E-28 -28.8304 0.14779E-28 -28.8304 0.10000E+01 0.0000 17 NO3- 0.30000E-20 -20.5229 0.29453E-20 -20.5309 0.98178E+00 -0.0080 18 N2,aq 0.17981E-53 -53.7452 0.17980E-53 -53.7452 0.99996E+00 0.0000 19 N2O2-2 0.15688-102 -102.8044 0.15378-102 -102.8131 0.98023E+00 -0.0087 20 HN2O2- 0.15573E-98 -98.8076 0.15289E-98 -98.8156 0.98178E+00 -0.0080 21 H2N2O2,aq 0.16745E-98 -98.7761 0.16745E-98 -98.7761 0.10000E+01 0.0000 22 N2H5+ 0.42568-154 -154.3709 0.41792-154 -154.3789 0.98178E+00 -0.0080 23 N2H6+2 0.40297-162 -162.3947 0.39500-162 -162.4034 0.98023E+00 -0.0087 24 NaCl,aq 0.16108E-14 -14.7930 0.16108E-14 -14.7930 0.10000E+01 0.0000 25 NaOH,aq 0.60886E-14 -14.2155 0.60886E-14 -14.2155 0.10000E+01 0.0000 26 O2,aq 0.24000E-03 -3.6198 0.23999E-03 -3.6198 0.99996E+00 0.0000 27 OH- 0.10244E-06 -6.9895 0.10058E-06 -6.9975 0.98178E+00 -0.0080 28 HO2- 0.77016E-23 -23.1134 0.75613E-23 -23.1214 0.98178E+00 -0.0080 29 H2O2,aq 0.36736E-18 -18.4349 0.36736E-18 -18.4349 0.10000E+01 0.0000 30 H2S,aq 0.34967-158 -158.4563 0.34965-158 -158.4564 0.99996E+00 0.0000 36 SO2,aq 0.76370E-70 -70.1171 0.76370E-70 -70.1171 0.10000E+01 0.0000 37 SO3-2 0.66313E-65 -65.1784 0.65002E-65 -65.1871 0.98023E+00 -0.0087 38 HSO3- 0.10676E-64 -64.9716 0.10482E-64 -64.9796 0.98178E+00 -0.0080 39 HSO4- 0.41353E-25 -25.3835 0.40600E-25 -25.3915 0.98178E+00 -0.0080 40 HSO5- 0.34722E-46 -46.4594 0.34089E-46 -46.4674 0.98178E+00 -0.0080 41 S2O3-2 0.93181-181 -181.0307 0.91339-181 -181.0393 0.98023E+00 -0.0087 42 HS2O3- 0.45304-186 -186.3439 0.44479-186 -186.3518 0.98178E+00 -0.0080 43 H2S2O3,aq 0.17284-192 -192.7623 0.17284-192 -192.7623 0.10000E+01 0.0000 44 S2O4-2 0.17435-167 -167.7586 0.17090-167 -167.7672 0.98023E+00 -0.0087 45 HS2O4- 0.54480-172 -172.2638 0.53488-172 -172.2717 0.98178E+00 -0.0080 46 H2S2O4,aq 0.12495-178 -178.9032 0.12495-178 -178.9032 0.10000E+01 0.0000 47 S2O5-2 0.17081-134 -134.7675 0.16744-134 -134.7762 0.98023E+00 -0.0087 48 S2O6-2 0.45459-104 -104.3424 0.44560-104 -104.3511 0.98023E+00 -0.0087 49 S2O8-2 0.90742E-79 -79.0422 0.88948E-79 -79.0509 0.98023E+00 -0.0087 Charge balance for all species = 0.4108E-20 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 H2,gas 0.1869-106 1.0000 0.6455E-41 0.6455E-41 H2S,gas 0.8288-223 1.0000 0.2862-157 0.2862-157 S2,gas 0.0000E+00 1.0000 0.7682-258 0.7682-258 NO2,gas 0.3097-100 1.0000 0.1069E-34 0.1069E-34 SO3,gas 0.1655-123 1.0000 0.5715E-58 0.5715E-58 O2,gas 0.1000E+01 1.0000 0.3453E+66 0.3453E+66 NH3,gas 0.1893-149 1.0000 0.6535E-84 0.6535E-84 N2,gas 0.8009-116 1.0000 0.2766E-50 0.2766E-50 SO2,gas 0.1495-135 1.0000 0.5163E-70 0.5163E-70 NON-Ideal mixing with H2O, AND ALL 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 H2,gas 8.42 -32.77 -41.19 -23.537 0.56195E+05 -41.190 3 H2S,gas -7.90 -165.44 -157.54 -78.772 0.21493E+06 -157.543 4 S2,gas -7.24 -265.35 -258.11 -39.710 0.35214E+06 -258.115 5 NO2,gas 76.52 41.55 -34.97 -7.993 0.47710E+05 -34.971 6 SO3,gas 23.88 -34.37 -58.24 -14.561 0.79460E+05 -58.243 7 O2,gas 66.26 65.54 -0.72 -0.480 0.98202E+03 -0.720 8 NH3,gas 11.04 -73.15 -84.18 -42.092 0.11485E+06 -84.185 9 N2,gas 2.57 -47.99 -50.56 -6.524 0.68976E+05 -50.558 10 SO2,gas 3.15 -67.14 -70.29 -18.743 0.95892E+05 -70.287 11 HCl,gas 6.31 -14.01 -20.31 -10.156 0.27711E+05 -20.311 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 = 0.7648E-21 ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ 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 = .1801000E-03 Osmotic coef. = 0.9898 True ionic strength = .2024437E-06 Chg. balance for total moles = 0.7648E-21 Max. difference allowed = 0.1000E-10 Log Log Log Species(n) Molality Molality Activity Activity Gamma Gamma 1 H+ 0.10244E-06 -6.9895 0.10058E-06 -6.9975 0.98178E+00 -0.0080 2 H2O 0.10000E+01 0.0000 0.10000E+01 0.0000 3 Cl- 0.10000E-06 -7.0000 0.98178E-07 -7.0080 0.98178E+00 -0.0080 4 SO4-- 0.43220E-20 -20.3643 0.42365E-20 -20.3730 0.98023E+00 -0.0087 5 HS- 0.36401-158 -158.4389 0.35738-158 -158.4469 0.98178E+00 -0.0080 6 Na+ 0.10000E-06 -7.0000 0.98178E-07 -7.0080 0.98178E+00 -0.0080 7 NH4+ 0.77941E-80 -80.1082 0.76521E-80 -80.1162 0.98178E+00 -0.0080 8 HCl,aq 0.19254E-14 -14.7155 0.19254E-14 -14.7155 0.10000E+01 0.0000 9 HClO,aq 0.42915E-23 -23.3674 0.42915E-23 -23.3674 0.10000E+01 0.0000 10 ClO- 0.12249E-23 -23.9119 0.12026E-23 -23.9199 0.98178E+00 -0.0080 11 HClO2,aq 0.17608E-38 -38.7543 0.17608E-38 -38.7543 0.10000E+01 0.0000 12 H2,aq 0.50573E-44 -44.2961 0.50571E-44 -44.2961 0.99996E+00 0.0000 13 NH3,aq 0.43681E-82 -82.3597 0.43680E-82 -82.3597 0.99996E+00 0.0000 14 HNO2,aq 0.19979E-37 -37.6994 0.19979E-37 -37.6994 0.10000E+01 0.0000 15 NO2- 0.12052E-33 -33.9189 0.11832E-33 -33.9269 0.98178E+00 -0.0080 16 HNO3,aq 0.15764E-28 -28.8023 0.15764E-28 -28.8023 0.10000E+01 0.0000 17 NO3- 0.32000E-20 -20.4949 0.31417E-20 -20.5028 0.98178E+00 -0.0080 18 N2,aq 0.20458E-53 -53.6891 0.20457E-53 -53.6892 0.99996E+00 0.0000 19 N2O2-2 0.17849-102 -102.7484 0.17496-102 -102.7571 0.98023E+00 -0.0087 20 HN2O2- 0.17719E-98 -98.7516 0.17396E-98 -98.7596 0.98178E+00 -0.0080 21 H2N2O2,aq 0.19052E-98 -98.7201 0.19052E-98 -98.7201 0.10000E+01 0.0000 22 N2H5+ 0.48433-154 -154.3149 0.47550-154 -154.3228 0.98178E+00 -0.0080 23 N2H6+2 0.45849-162 -162.3387 0.44942-162 -162.3473 0.98023E+00 -0.0087 24 NaCl,aq 0.16108E-14 -14.7930 0.16108E-14 -14.7930 0.10000E+01 0.0000 25 NaOH,aq 0.60886E-14 -14.2155 0.60886E-14 -14.2155 0.10000E+01 0.0000 26 O2,aq 0.24000E-03 -3.6198 0.23999E-03 -3.6198 0.99996E+00 0.0000 27 OH- 0.10244E-06 -6.9895 0.10058E-06 -6.9975 0.98178E+00 -0.0080 28 HO2- 0.77016E-23 -23.1134 0.75613E-23 -23.1214 0.98178E+00 -0.0080 29 H2O2,aq 0.36736E-18 -18.4349 0.36736E-18 -18.4349 0.10000E+01 0.0000 30 H2S,aq 0.34966-158 -158.4564 0.34964-158 -158.4564 0.99996E+00 0.0000 36 SO2,aq 0.76368E-70 -70.1171 0.76368E-70 -70.1171 0.10000E+01 0.0000 37 SO3-2 0.66311E-65 -65.1784 0.65000E-65 -65.1871 0.98023E+00 -0.0087 38 HSO3- 0.10676E-64 -64.9716 0.10481E-64 -64.9796 0.98178E+00 -0.0080 39 HSO4- 0.41352E-25 -25.3835 0.40599E-25 -25.3915 0.98178E+00 -0.0080 40 HSO5- 0.34721E-46 -46.4594 0.34088E-46 -46.4674 0.98178E+00 -0.0080 41 S2O3-2 0.93177-181 -181.0307 0.91335-181 -181.0394 0.98023E+00 -0.0087 42 HS2O3- 0.45302-186 -186.3439 0.44477-186 -186.3519 0.98178E+00 -0.0080 43 H2S2O3,aq 0.17284-192 -192.7624 0.17284-192 -192.7624 0.10000E+01 0.0000 44 S2O4-2 0.17434-167 -167.7586 0.17090-167 -167.7673 0.98023E+00 -0.0087 45 HS2O4- 0.54477-172 -172.2638 0.53485-172 -172.2718 0.98178E+00 -0.0080 46 H2S2O4,aq 0.12495-178 -178.9033 0.12495-178 -178.9033 0.10000E+01 0.0000 47 S2O5-2 0.17080-134 -134.7675 0.16743-134 -134.7762 0.98023E+00 -0.0087 48 S2O6-2 0.45457-104 -104.3424 0.44558-104 -104.3511 0.98023E+00 -0.0087 49 S2O8-2 0.90738E-79 -79.0422 0.88944E-79 -79.0509 0.98023E+00 -0.0087 Charge balance for all species = -.7552E-20 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 0.1110E-15 1.0000 0.3083E-01 0.3083E-01 H2,gas 0.1389E-59 1.0000 0.6455E-41 0.6455E-41 H2S,gas 0.8288-223 1.0000 0.2862-157 0.2862-157 S2,gas 0.0000E+00 1.0000 0.7681-258 0.7681-258 NO2,gas 0.3303-100 1.0000 0.1141E-34 0.1141E-34 SO3,gas 0.1655-123 1.0000 0.5715E-58 0.5715E-58 O2,gas 0.1000E+01 1.0000 0.3453E+66 0.3453E+66 NH3,gas 0.2019-149 1.0000 0.6971E-84 0.6971E-84 N2,gas 0.9113-116 1.0000 0.3147E-50 0.3147E-50 SO2,gas 0.1495-135 1.0000 0.5163E-70 0.5163E-70 NON-Ideal mixing with H2O, AND ALL 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 H2,gas 8.42 -32.77 -41.19 -23.537 0.56195E+05 -41.190 3 H2S,gas -7.90 -165.44 -157.54 -78.772 0.21493E+06 -157.543 4 S2,gas -7.24 -265.35 -258.11 -39.710 0.35214E+06 -258.115 5 NO2,gas 76.52 41.57 -34.94 -7.987 0.47672E+05 -34.943 6 SO3,gas 23.88 -34.37 -58.24 -14.561 0.79460E+05 -58.243 7 O2,gas 66.26 65.54 -0.72 -0.480 0.98202E+03 -0.720 8 NH3,gas 11.04 -73.12 -84.16 -42.078 0.11481E+06 -84.157 9 N2,gas 2.57 -47.93 -50.50 -6.516 0.68899E+05 -50.502 10 SO2,gas 3.15 -67.14 -70.29 -18.743 0.95892E+05 -70.287 11 HCl,gas 6.31 -14.01 -20.31 -10.156 0.27711E+05 -20.311 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 = 0.9648E-21 ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ 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 = .1801000E-03 Osmotic coef. = 0.9898 True ionic strength = .2024437E-06 Chg. balance for total moles = 0.9648E-21 Max. difference allowed = 0.1000E-10 Log Log Log Species(n) Molality Molality Activity Activity Gamma Gamma 1 H+ 0.10244E-06 -6.9895 0.10058E-06 -6.9975 0.98178E+00 -0.0080 2 H2O 0.10000E+01 0.0000 0.10000E+01 0.0000 3 Cl- 0.10000E-06 -7.0000 0.98178E-07 -7.0080 0.98178E+00 -0.0080 4 SO4-- 0.43219E-20 -20.3643 0.42364E-20 -20.3730 0.98023E+00 -0.0087 5 HS- 0.36400-158 -158.4389 0.35737-158 -158.4469 0.98178E+00 -0.0080 6 Na+ 0.10000E-06 -7.0000 0.98178E-07 -7.0080 0.98178E+00 -0.0080 7 NH4+ 0.82812E-80 -80.0819 0.81303E-80 -80.0899 0.98178E+00 -0.0080 8 HCl,aq 0.19254E-14 -14.7155 0.19254E-14 -14.7155 0.10000E+01 0.0000 9 HClO,aq 0.42915E-23 -23.3674 0.42915E-23 -23.3674 0.10000E+01 0.0000 10 ClO- 0.12249E-23 -23.9119 0.12026E-23 -23.9199 0.98178E+00 -0.0080 11 HClO2,aq 0.17608E-38 -38.7543 0.17608E-38 -38.7543 0.10000E+01 0.0000 12 H2,aq 0.50573E-44 -44.2961 0.50571E-44 -44.2961 0.99996E+00 0.0000 13 NH3,aq 0.46412E-82 -82.3334 0.46410E-82 -82.3334 0.99996E+00 0.0000 14 HNO2,aq 0.21227E-37 -37.6731 0.21227E-37 -37.6731 0.10000E+01 0.0000 15 NO2- 0.12805E-33 -33.8926 0.12572E-33 -33.9006 0.98178E+00 -0.0080 16 HNO3,aq 0.16749E-28 -28.7760 0.16749E-28 -28.7760 0.10000E+01 0.0000 17 NO3- 0.34000E-20 -20.4685 0.33381E-20 -20.4765 0.98178E+00 -0.0080 18 N2,aq 0.23095E-53 -53.6365 0.23094E-53 -53.6365 0.99996E+00 0.0000 19 N2O2-2 0.20150-102 -102.6957 0.19752-102 -102.7044 0.98023E+00 -0.0087 20 HN2O2- 0.20003E-98 -98.6989 0.19638E-98 -98.7069 0.98178E+00 -0.0080 21 H2N2O2,aq 0.21508E-98 -98.6674 0.21508E-98 -98.6674 0.10000E+01 0.0000 22 N2H5+ 0.54676-154 -154.2622 0.53680-154 -154.2702 0.98178E+00 -0.0080 23 N2H6+2 0.51759-162 -162.2860 0.50736-162 -162.2947 0.98023E+00 -0.0087 24 NaCl,aq 0.16108E-14 -14.7930 0.16108E-14 -14.7930 0.10000E+01 0.0000 25 NaOH,aq 0.60886E-14 -14.2155 0.60886E-14 -14.2155 0.10000E+01 0.0000 26 O2,aq 0.24000E-03 -3.6198 0.23999E-03 -3.6198 0.99996E+00 0.0000 27 OH- 0.10244E-06 -6.9895 0.10058E-06 -6.9975 0.98178E+00 -0.0080 28 HO2- 0.77016E-23 -23.1134 0.75613E-23 -23.1214 0.98178E+00 -0.0080 29 H2O2,aq 0.36736E-18 -18.4349 0.36736E-18 -18.4349 0.10000E+01 0.0000 30 H2S,aq 0.34965-158 -158.4564 0.34963-158 -158.4564 0.99996E+00 0.0000 36 SO2,aq 0.76367E-70 -70.1171 0.76367E-70 -70.1171 0.10000E+01 0.0000 37 SO3-2 0.66309E-65 -65.1784 0.64999E-65 -65.1871 0.98023E+00 -0.0087 38 HSO3- 0.10676E-64 -64.9716 0.10481E-64 -64.9796 0.98178E+00 -0.0080 39 HSO4- 0.41351E-25 -25.3835 0.40598E-25 -25.3915 0.98178E+00 -0.0080 40 HSO5- 0.34720E-46 -46.4594 0.34088E-46 -46.4674 0.98178E+00 -0.0080 41 S2O3-2 0.93172-181 -181.0307 0.91330-181 -181.0394 0.98023E+00 -0.0087 42 HS2O3- 0.45300-186 -186.3439 0.44475-186 -186.3519 0.98178E+00 -0.0080 43 H2S2O3,aq 0.17283-192 -192.7624 0.17283-192 -192.7624 0.10000E+01 0.0000 44 S2O4-2 0.17433-167 -167.7586 0.17089-167 -167.7673 0.98023E+00 -0.0087 45 HS2O4- 0.54475-172 -172.2638 0.53482-172 -172.2718 0.98178E+00 -0.0080 46 H2S2O4,aq 0.12494-178 -178.9033 0.12494-178 -178.9033 0.10000E+01 0.0000 47 S2O5-2 0.17080-134 -134.7675 0.16742-134 -134.7762 0.98023E+00 -0.0087 48 S2O6-2 0.45454-104 -104.3424 0.44556-104 -104.3511 0.98023E+00 -0.0087 49 S2O8-2 0.90734E-79 -79.0422 0.88940E-79 -79.0509 0.98023E+00 -0.0087 Charge balance for all species = -.3859E-20 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 0.1110E-15 1.0000 0.3083E-01 0.3083E-01 H2,gas 0.1389E-59 1.0000 0.6455E-41 0.6455E-41 H2S,gas 0.8287-223 1.0000 0.2862-157 0.2862-157 S2,gas 0.0000E+00 1.0000 0.7681-258 0.7681-258 NO2,gas 0.3510-100 1.0000 0.1212E-34 0.1212E-34 SO3,gas 0.1655-123 1.0000 0.5715E-58 0.5715E-58 O2,gas 0.1000E+01 1.0000 0.3453E+66 0.3453E+66 NH3,gas 0.2145-149 1.0000 0.7406E-84 0.7406E-84 N2,gas 0.1029-115 1.0000 0.3552E-50 0.3552E-50 SO2,gas 0.1495-135 1.0000 0.5163E-70 0.5163E-70 NON-Ideal mixing with H2O, AND ALL 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 H2,gas 8.42 -32.77 -41.19 -23.537 0.56195E+05 -41.190 3 H2S,gas -7.90 -165.44 -157.54 -78.772 0.21493E+06 -157.543 4 S2,gas -7.24 -265.35 -258.11 -39.710 0.35214E+06 -258.115 5 NO2,gas 76.52 41.60 -34.92 -7.981 0.47636E+05 -34.917 6 SO3,gas 23.88 -34.37 -58.24 -14.561 0.79460E+05 -58.243 7 O2,gas 66.26 65.54 -0.72 -0.480 0.98202E+03 -0.720 8 NH3,gas 11.04 -73.09 -84.13 -42.065 0.11478E+06 -84.130 9 N2,gas 2.57 -47.88 -50.45 -6.510 0.68828E+05 -50.449 10 SO2,gas 3.15 -67.14 -70.29 -18.743 0.95892E+05 -70.287 11 HCl,gas 6.31 -14.01 -20.31 -10.156 0.27711E+05 -20.311 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 = 0.1165E-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 = .1801000E-03 Osmotic coef. = 0.9898 True ionic strength = .2024437E-06 Chg. balance for total moles = 0.1165E-20 Max. difference allowed = 0.1000E-10 Log Log Log Species(n) Molality Molality Activity Activity Gamma Gamma 1 H+ 0.10244E-06 -6.9895 0.10058E-06 -6.9975 0.98178E+00 -0.0080 2 H2O 0.10000E+01 0.0000 0.10000E+01 0.0000 3 Cl- 0.10000E-06 -7.0000 0.98178E-07 -7.0080 0.98178E+00 -0.0080 4 SO4-- 0.43218E-20 -20.3643 0.42363E-20 -20.3730 0.98023E+00 -0.0087 5 HS- 0.36399-158 -158.4389 0.35736-158 -158.4469 0.98178E+00 -0.0080 6 Na+ 0.10000E-06 -7.0000 0.98178E-07 -7.0080 0.98178E+00 -0.0080 7 NH4+ 0.87683E-80 -80.0571 0.86086E-80 -80.0651 0.98178E+00 -0.0080 8 HCl,aq 0.19254E-14 -14.7155 0.19254E-14 -14.7155 0.10000E+01 0.0000 9 HClO,aq 0.42915E-23 -23.3674 0.42915E-23 -23.3674 0.10000E+01 0.0000 10 ClO- 0.12249E-23 -23.9119 0.12026E-23 -23.9199 0.98178E+00 -0.0080 11 HClO2,aq 0.17608E-38 -38.7543 0.17608E-38 -38.7543 0.10000E+01 0.0000 12 H2,aq 0.50573E-44 -44.2961 0.50571E-44 -44.2961 0.99996E+00 0.0000 13 NH3,aq 0.49142E-82 -82.3086 0.49140E-82 -82.3086 0.99996E+00 0.0000 14 HNO2,aq 0.22476E-37 -37.6483 0.22476E-37 -37.6483 0.10000E+01 0.0000 15 NO2- 0.13558E-33 -33.8678 0.13311E-33 -33.8758 0.98178E+00 -0.0080 16 HNO3,aq 0.17734E-28 -28.7512 0.17734E-28 -28.7512 0.10000E+01 0.0000 17 NO3- 0.36000E-20 -20.4437 0.35344E-20 -20.4517 0.98178E+00 -0.0080 18 N2,aq 0.25892E-53 -53.5868 0.25891E-53 -53.5868 0.99996E+00 0.0000 19 N2O2-2 0.22590-102 -102.6461 0.22144-102 -102.6548 0.98023E+00 -0.0087 20 HN2O2- 0.22425E-98 -98.6493 0.22017E-98 -98.6573 0.98178E+00 -0.0080 21 H2N2O2,aq 0.24113E-98 -98.6178 0.24113E-98 -98.6178 0.10000E+01 0.0000 22 N2H5+ 0.61298-154 -154.2126 0.60181-154 -154.2205 0.98178E+00 -0.0080 23 N2H6+2 0.58027-162 -162.2364 0.56880-162 -162.2450 0.98023E+00 -0.0087 24 NaCl,aq 0.16108E-14 -14.7930 0.16108E-14 -14.7930 0.10000E+01 0.0000 25 NaOH,aq 0.60886E-14 -14.2155 0.60886E-14 -14.2155 0.10000E+01 0.0000 26 O2,aq 0.24000E-03 -3.6198 0.23999E-03 -3.6198 0.99996E+00 0.0000 27 OH- 0.10244E-06 -6.9895 0.10058E-06 -6.9975 0.98178E+00 -0.0080 28 HO2- 0.77016E-23 -23.1134 0.75613E-23 -23.1214 0.98178E+00 -0.0080 29 H2O2,aq 0.36736E-18 -18.4349 0.36736E-18 -18.4349 0.10000E+01 0.0000 30 H2S,aq 0.34964-158 -158.4564 0.34963-158 -158.4564 0.99996E+00 0.0000 36 SO2,aq 0.76365E-70 -70.1171 0.76365E-70 -70.1171 0.10000E+01 0.0000 37 SO3-2 0.66308E-65 -65.1784 0.64997E-65 -65.1871 0.98023E+00 -0.0087 38 HSO3- 0.10675E-64 -64.9716 0.10481E-64 -64.9796 0.98178E+00 -0.0080 39 HSO4- 0.41350E-25 -25.3835 0.40597E-25 -25.3915 0.98178E+00 -0.0080 40 HSO5- 0.34719E-46 -46.4594 0.34087E-46 -46.4674 0.98178E+00 -0.0080 41 S2O3-2 0.93168-181 -181.0307 0.91326-181 -181.0394 0.98023E+00 -0.0087 42 HS2O3- 0.45298-186 -186.3439 0.44473-186 -186.3519 0.98178E+00 -0.0080 43 H2S2O3,aq 0.17282-192 -192.7624 0.17282-192 -192.7624 0.10000E+01 0.0000 44 S2O4-2 0.17433-167 -167.7586 0.17088-167 -167.7673 0.98023E+00 -0.0087 45 HS2O4- 0.54472-172 -172.2638 0.53480-172 -172.2718 0.98178E+00 -0.0080 46 H2S2O4,aq 0.12494-178 -178.9033 0.12494-178 -178.9033 0.10000E+01 0.0000 47 S2O5-2 0.17079-134 -134.7675 0.16741-134 -134.7762 0.98023E+00 -0.0087 48 S2O6-2 0.45452-104 -104.3424 0.44554-104 -104.3511 0.98023E+00 -0.0087 49 S2O8-2 0.90729E-79 -79.0423 0.88936E-79 -79.0509 0.98023E+00 -0.0087 Charge balance for all species = 0.3513E-20 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 H2,gas 0.1869-106 1.0000 0.6455E-41 0.6455E-41 H2S,gas 0.8287-223 1.0000 0.2862-157 0.2862-157 S2,gas 0.0000E+00 1.0000 0.7681-258 0.7681-258 NO2,gas 0.3716-100 1.0000 0.1283E-34 0.1283E-34 SO3,gas 0.1655-123 1.0000 0.5715E-58 0.5715E-58 O2,gas 0.1000E+01 1.0000 0.3453E+66 0.3453E+66 NH3,gas 0.2271-149 1.0000 0.7842E-84 0.7842E-84 N2,gas 0.1153-115 1.0000 0.3982E-50 0.3982E-50 SO2,gas 0.1495-135 1.0000 0.5163E-70 0.5163E-70 NON-Ideal mixing with H2O, AND ALL 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 H2,gas 8.42 -32.77 -41.19 -23.537 0.56195E+05 -41.190 3 H2S,gas -7.90 -165.44 -157.54 -78.772 0.21493E+06 -157.543 4 S2,gas -7.24 -265.35 -258.11 -39.710 0.35214E+06 -258.115 5 NO2,gas 76.52 41.62 -34.89 -7.975 0.47602E+05 -34.892 6 SO3,gas 23.88 -34.37 -58.24 -14.561 0.79460E+05 -58.243 7 O2,gas 66.26 65.54 -0.72 -0.480 0.98202E+03 -0.720 8 NH3,gas 11.04 -73.07 -84.11 -42.053 0.11474E+06 -84.106 9 N2,gas 2.57 -47.83 -50.40 -6.503 0.68760E+05 -50.400 10 SO2,gas 3.15 -67.14 -70.29 -18.743 0.95892E+05 -70.287 11 HCl,gas 6.31 -14.01 -20.31 -10.156 0.27711E+05 -20.311 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 = 0.1365E-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 = .1801000E-03 Osmotic coef. = 0.9898 True ionic strength = .2024437E-06 Chg. balance for total moles = 0.1365E-20 Max. difference allowed = 0.1000E-10 Log Log Log Species(n) Molality Molality Activity Activity Gamma Gamma 1 H+ 0.10244E-06 -6.9895 0.10058E-06 -6.9975 0.98178E+00 -0.0080 2 H2O 0.10000E+01 0.0000 0.10000E+01 0.0000 3 Cl- 0.10000E-06 -7.0000 0.98178E-07 -7.0080 0.98178E+00 -0.0080 4 SO4-- 0.43217E-20 -20.3643 0.42362E-20 -20.3730 0.98023E+00 -0.0087 5 HS- 0.36398-158 -158.4389 0.35735-158 -158.4469 0.98178E+00 -0.0080 6 Na+ 0.10000E-06 -7.0000 0.98178E-07 -7.0080 0.98178E+00 -0.0080 7 NH4+ 0.92555E-80 -80.0336 0.90868E-80 -80.0416 0.98178E+00 -0.0080 8 HCl,aq 0.19254E-14 -14.7155 0.19254E-14 -14.7155 0.10000E+01 0.0000 9 HClO,aq 0.42915E-23 -23.3674 0.42915E-23 -23.3674 0.10000E+01 0.0000 10 ClO- 0.12249E-23 -23.9119 0.12026E-23 -23.9199 0.98178E+00 -0.0080 11 HClO2,aq 0.17608E-38 -38.7543 0.17608E-38 -38.7543 0.10000E+01 0.0000 12 H2,aq 0.50573E-44 -44.2961 0.50571E-44 -44.2961 0.99996E+00 0.0000 13 NH3,aq 0.51872E-82 -82.2851 0.51870E-82 -82.2851 0.99996E+00 0.0000 14 HNO2,aq 0.23725E-37 -37.6248 0.23725E-37 -37.6248 0.10000E+01 0.0000 15 NO2- 0.14312E-33 -33.8443 0.14051E-33 -33.8523 0.98178E+00 -0.0080 16 HNO3,aq 0.18720E-28 -28.7277 0.18720E-28 -28.7277 0.10000E+01 0.0000 17 NO3- 0.38000E-20 -20.4202 0.37308E-20 -20.4282 0.98178E+00 -0.0080 18 N2,aq 0.28849E-53 -53.5399 0.28848E-53 -53.5399 0.99996E+00 0.0000 19 N2O2-2 0.25170-102 -102.5991 0.24672-102 -102.6078 0.98023E+00 -0.0087 20 HN2O2- 0.24986E-98 -98.6023 0.24531E-98 -98.6103 0.98178E+00 -0.0080 21 H2N2O2,aq 0.26867E-98 -98.5708 0.26867E-98 -98.5708 0.10000E+01 0.0000 22 N2H5+ 0.68298-154 -154.1656 0.67054-154 -154.1736 0.98178E+00 -0.0080 23 N2H6+2 0.64654-162 -162.1894 0.63376-162 -162.1981 0.98023E+00 -0.0087 24 NaCl,aq 0.16108E-14 -14.7930 0.16108E-14 -14.7930 0.10000E+01 0.0000 25 NaOH,aq 0.60886E-14 -14.2155 0.60886E-14 -14.2155 0.10000E+01 0.0000 26 O2,aq 0.24000E-03 -3.6198 0.23999E-03 -3.6198 0.99996E+00 0.0000 27 OH- 0.10244E-06 -6.9895 0.10058E-06 -6.9975 0.98178E+00 -0.0080 28 HO2- 0.77016E-23 -23.1134 0.75613E-23 -23.1214 0.98178E+00 -0.0080 29 H2O2,aq 0.36736E-18 -18.4349 0.36736E-18 -18.4349 0.10000E+01 0.0000 30 H2S,aq 0.34963-158 -158.4564 0.34962-158 -158.4564 0.99996E+00 0.0000 36 SO2,aq 0.76363E-70 -70.1171 0.76363E-70 -70.1171 0.10000E+01 0.0000 37 SO3-2 0.66306E-65 -65.1784 0.64995E-65 -65.1871 0.98023E+00 -0.0087 38 HSO3- 0.10675E-64 -64.9716 0.10481E-64 -64.9796 0.98178E+00 -0.0080 39 HSO4- 0.41349E-25 -25.3835 0.40596E-25 -25.3915 0.98178E+00 -0.0080 40 HSO5- 0.34718E-46 -46.4594 0.34086E-46 -46.4674 0.98178E+00 -0.0080 41 S2O3-2 0.93163-181 -181.0308 0.91321-181 -181.0394 0.98023E+00 -0.0087 42 HS2O3- 0.45296-186 -186.3439 0.44471-186 -186.3519 0.98178E+00 -0.0080 43 H2S2O3,aq 0.17281-192 -192.7624 0.17281-192 -192.7624 0.10000E+01 0.0000 44 S2O4-2 0.17432-167 -167.7587 0.17087-167 -167.7673 0.98023E+00 -0.0087 45 HS2O4- 0.54470-172 -172.2638 0.53477-172 -172.2718 0.98178E+00 -0.0080 46 H2S2O4,aq 0.12493-178 -178.9033 0.12493-178 -178.9033 0.10000E+01 0.0000 47 S2O5-2 0.17078-134 -134.7676 0.16740-134 -134.7762 0.98023E+00 -0.0087 48 S2O6-2 0.45450-104 -104.3425 0.44551-104 -104.3511 0.98023E+00 -0.0087 49 S2O8-2 0.90725E-79 -79.0423 0.88931E-79 -79.0509 0.98023E+00 -0.0087 Charge balance for all species = -.8147E-20 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 H2,gas 0.1869-106 1.0000 0.6455E-41 0.6455E-41 H2S,gas 0.8287-223 1.0000 0.2861-157 0.2861-157 S2,gas 0.0000E+00 1.0000 0.7680-258 0.7680-258 NO2,gas 0.3922-100 1.0000 0.1354E-34 0.1354E-34 SO3,gas 0.1655-123 1.0000 0.5715E-58 0.5715E-58 O2,gas 0.1000E+01 1.0000 0.3453E+66 0.3453E+66 NH3,gas 0.2397-149 1.0000 0.8278E-84 0.8278E-84 N2,gas 0.1285-115 1.0000 0.4437E-50 0.4437E-50 SO2,gas 0.1495-135 1.0000 0.5163E-70 0.5163E-70 NON-Ideal mixing with H2O, AND ALL 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 H2,gas 8.42 -32.77 -41.19 -23.537 0.56195E+05 -41.190 3 H2S,gas -7.90 -165.44 -157.54 -78.772 0.21493E+06 -157.543 4 S2,gas -7.24 -265.35 -258.11 -39.710 0.35214E+06 -258.115 5 NO2,gas 76.52 41.65 -34.87 -7.970 0.47570E+05 -34.868 6 SO3,gas 23.88 -34.37 -58.24 -14.561 0.79460E+05 -58.243 7 O2,gas 66.26 65.54 -0.72 -0.480 0.98202E+03 -0.720 8 NH3,gas 11.04 -73.04 -84.08 -42.041 0.11471E+06 -84.082 9 N2,gas 2.57 -47.78 -50.35 -6.497 0.68696E+05 -50.353 10 SO2,gas 3.15 -67.14 -70.29 -18.743 0.95892E+05 -70.287 11 HCl,gas 6.31 -14.01 -20.31 -10.156 0.27711E+05 -20.311 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 = 0.1565E-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 = .1801000E-03 Osmotic coef. = 0.9898 True ionic strength = .2024437E-06 Chg. balance for total moles = 0.1565E-20 Max. difference allowed = 0.1000E-10 Log Log Log Species(n) Molality Molality Activity Activity Gamma Gamma 1 H+ 0.10244E-06 -6.9895 0.10058E-06 -6.9975 0.98178E+00 -0.0080 2 H2O 0.10000E+01 0.0000 0.10000E+01 0.0000 3 Cl- 0.10000E-06 -7.0000 0.98178E-07 -7.0080 0.98178E+00 -0.0080 4 SO4-- 0.43216E-20 -20.3644 0.42361E-20 -20.3730 0.98023E+00 -0.0087 5 HS- 0.36397-158 -158.4389 0.35734-158 -158.4469 0.98178E+00 -0.0080 6 Na+ 0.10000E-06 -7.0000 0.98178E-07 -7.0080 0.98178E+00 -0.0080 7 NH4+ 0.97426E-80 -80.0113 0.95651E-80 -80.0193 0.98178E+00 -0.0080 8 HCl,aq 0.19254E-14 -14.7155 0.19254E-14 -14.7155 0.10000E+01 0.0000 9 HClO,aq 0.42915E-23 -23.3674 0.42915E-23 -23.3674 0.10000E+01 0.0000 10 ClO- 0.12249E-23 -23.9119 0.12026E-23 -23.9199 0.98178E+00 -0.0080 11 HClO2,aq 0.17608E-38 -38.7543 0.17608E-38 -38.7543 0.10000E+01 0.0000 12 H2,aq 0.50573E-44 -44.2961 0.50571E-44 -44.2961 0.99996E+00 0.0000 13 NH3,aq 0.54602E-82 -82.2628 0.54600E-82 -82.2628 0.99996E+00 0.0000 14 HNO2,aq 0.24973E-37 -37.6025 0.24973E-37 -37.6025 0.10000E+01 0.0000 15 NO2- 0.15065E-33 -33.8220 0.14790E-33 -33.8300 0.98178E+00 -0.0080 16 HNO3,aq 0.19705E-28 -28.7054 0.19705E-28 -28.7054 0.10000E+01 0.0000 17 NO3- 0.40000E-20 -20.3979 0.39271E-20 -20.4059 0.98178E+00 -0.0080 18 N2,aq 0.31966E-53 -53.4953 0.31964E-53 -53.4953 0.99996E+00 0.0000 19 N2O2-2 0.27889-102 -102.5546 0.27338-102 -102.5632 0.98023E+00 -0.0087 20 HN2O2- 0.27685E-98 -98.5578 0.27181E-98 -98.5657 0.98178E+00 -0.0080 21 H2N2O2,aq 0.29769E-98 -98.5262 0.29769E-98 -98.5262 0.10000E+01 0.0000 22 N2H5+ 0.75676-154 -154.1210 0.74298-154 -154.1290 0.98178E+00 -0.0080 23 N2H6+2 0.71639-162 -162.1449 0.70222-162 -162.1535 0.98023E+00 -0.0087 24 NaCl,aq 0.16108E-14 -14.7930 0.16108E-14 -14.7930 0.10000E+01 0.0000 25 NaOH,aq 0.60886E-14 -14.2155 0.60886E-14 -14.2155 0.10000E+01 0.0000 26 O2,aq 0.24000E-03 -3.6198 0.23999E-03 -3.6198 0.99996E+00 0.0000 27 OH- 0.10244E-06 -6.9895 0.10058E-06 -6.9975 0.98178E+00 -0.0080 28 HO2- 0.77016E-23 -23.1134 0.75613E-23 -23.1214 0.98178E+00 -0.0080 29 H2O2,aq 0.36736E-18 -18.4349 0.36736E-18 -18.4349 0.10000E+01 0.0000 30 H2S,aq 0.34962-158 -158.4564 0.34961-158 -158.4564 0.99996E+00 0.0000 36 SO2,aq 0.76361E-70 -70.1171 0.76361E-70 -70.1171 0.10000E+01 0.0000 37 SO3-2 0.66305E-65 -65.1785 0.64994E-65 -65.1871 0.98023E+00 -0.0087 38 HSO3- 0.10675E-64 -64.9716 0.10480E-64 -64.9796 0.98178E+00 -0.0080 39 HSO4- 0.41348E-25 -25.3835 0.40595E-25 -25.3915 0.98178E+00 -0.0080 40 HSO5- 0.34718E-46 -46.4594 0.34085E-46 -46.4674 0.98178E+00 -0.0080 41 S2O3-2 0.93159-181 -181.0308 0.91317-181 -181.0394 0.98023E+00 -0.0087 42 HS2O3- 0.45294-186 -186.3440 0.44468-186 -186.3519 0.98178E+00 -0.0080 43 H2S2O3,aq 0.17280-192 -192.7624 0.17280-192 -192.7624 0.10000E+01 0.0000 44 S2O4-2 0.17431-167 -167.7587 0.17086-167 -167.7674 0.98023E+00 -0.0087 45 HS2O4- 0.54467-172 -172.2639 0.53475-172 -172.2719 0.98178E+00 -0.0080 46 H2S2O4,aq 0.12492-178 -178.9034 0.12492-178 -178.9034 0.10000E+01 0.0000 47 S2O5-2 0.17077-134 -134.7676 0.16740-134 -134.7763 0.98023E+00 -0.0087 48 S2O6-2 0.45448-104 -104.3425 0.44549-104 -104.3512 0.98023E+00 -0.0087 49 S2O8-2 0.90721E-79 -79.0423 0.88927E-79 -79.0510 0.98023E+00 -0.0087 Charge balance for all species = -.4455E-20 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 H2,gas 0.1869-106 1.0000 0.6455E-41 0.6455E-41 H2S,gas 0.8287-223 1.0000 0.2861-157 0.2861-157 S2,gas 0.0000E+00 1.0000 0.7680-258 0.7680-258 NO2,gas 0.4129-100 1.0000 0.1426E-34 0.1426E-34 SO3,gas 0.1655-123 1.0000 0.5714E-58 0.5714E-58 O2,gas 0.1000E+01 1.0000 0.3453E+66 0.3453E+66 NH3,gas 0.2523-149 1.0000 0.8713E-84 0.8713E-84 N2,gas 0.1424-115 1.0000 0.4917E-50 0.4917E-50 SO2,gas 0.1495-135 1.0000 0.5163E-70 0.5163E-70 NON-Ideal mixing with H2O, AND ALL 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 H2,gas 8.42 -32.77 -41.19 -23.537 0.56195E+05 -41.190 3 H2S,gas -7.90 -165.44 -157.54 -78.772 0.21493E+06 -157.543 4 S2,gas -7.24 -265.35 -258.11 -39.710 0.35214E+06 -258.115 5 NO2,gas 76.52 41.67 -34.85 -7.965 0.47540E+05 -34.846 6 SO3,gas 23.88 -34.37 -58.24 -14.561 0.79460E+05 -58.243 7 O2,gas 66.26 65.54 -0.72 -0.480 0.98202E+03 -0.720 8 NH3,gas 11.04 -73.02 -84.06 -42.030 0.11468E+06 -84.060 9 N2,gas 2.57 -47.74 -50.31 -6.491 0.68635E+05 -50.308 10 SO2,gas 3.15 -67.14 -70.29 -18.743 0.95892E+05 -70.287 11 HCl,gas 6.31 -14.01 -20.31 -10.156 0.27711E+05 -20.311 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 = 0.1765E-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 = .1801000E-03 Osmotic coef. = 0.9898 True ionic strength = .2024437E-06 Chg. balance for total moles = 0.1765E-20 Max. difference allowed = 0.1000E-10 Log Log Log Species(n) Molality Molality Activity Activity Gamma Gamma 1 H+ 0.10244E-06 -6.9895 0.10058E-06 -6.9975 0.98178E+00 -0.0080 2 H2O 0.10000E+01 0.0000 0.10000E+01 0.0000 3 Cl- 0.10000E-06 -7.0000 0.98178E-07 -7.0080 0.98178E+00 -0.0080 4 SO4-- 0.43215E-20 -20.3644 0.42360E-20 -20.3730 0.98023E+00 -0.0087 5 HS- 0.36396-158 -158.4389 0.35733-158 -158.4469 0.98178E+00 -0.0080 6 Na+ 0.10000E-06 -7.0000 0.98178E-07 -7.0080 0.98178E+00 -0.0080 7 NH4+ 0.10230E-79 -79.9901 0.10043E-79 -79.9981 0.98178E+00 -0.0080 8 HCl,aq 0.19254E-14 -14.7155 0.19254E-14 -14.7155 0.10000E+01 0.0000 9 HClO,aq 0.42915E-23 -23.3674 0.42915E-23 -23.3674 0.10000E+01 0.0000 10 ClO- 0.12249E-23 -23.9119 0.12026E-23 -23.9199 0.98178E+00 -0.0080 11 HClO2,aq 0.17608E-38 -38.7543 0.17608E-38 -38.7543 0.10000E+01 0.0000 12 H2,aq 0.50573E-44 -44.2961 0.50571E-44 -44.2961 0.99996E+00 0.0000 13 NH3,aq 0.57332E-82 -82.2416 0.57330E-82 -82.2416 0.99996E+00 0.0000 14 HNO2,aq 0.26222E-37 -37.5813 0.26222E-37 -37.5813 0.10000E+01 0.0000 15 NO2- 0.15818E-33 -33.8008 0.15530E-33 -33.8088 0.98178E+00 -0.0080 16 HNO3,aq 0.20690E-28 -28.6842 0.20690E-28 -28.6842 0.10000E+01 0.0000 17 NO3- 0.42000E-20 -20.3768 0.41235E-20 -20.3847 0.98178E+00 -0.0080 18 N2,aq 0.35242E-53 -53.4529 0.35241E-53 -53.4530 0.99996E+00 0.0000 19 N2O2-2 0.30748-102 -102.5122 0.30140-102 -102.5209 0.98023E+00 -0.0087 20 HN2O2- 0.30523E-98 -98.5154 0.29967E-98 -98.5234 0.98178E+00 -0.0080 21 H2N2O2,aq 0.32820E-98 -98.4839 0.32820E-98 -98.4839 0.10000E+01 0.0000 22 N2H5+ 0.83433-154 -154.0787 0.81913-154 -154.0866 0.98178E+00 -0.0080 23 N2H6+2 0.78981-162 -162.1025 0.77420-162 -162.1111 0.98023E+00 -0.0087 24 NaCl,aq 0.16108E-14 -14.7930 0.16108E-14 -14.7930 0.10000E+01 0.0000 25 NaOH,aq 0.60886E-14 -14.2155 0.60886E-14 -14.2155 0.10000E+01 0.0000 26 O2,aq 0.24000E-03 -3.6198 0.23999E-03 -3.6198 0.99996E+00 0.0000 27 OH- 0.10244E-06 -6.9895 0.10058E-06 -6.9975 0.98178E+00 -0.0080 28 HO2- 0.77016E-23 -23.1134 0.75613E-23 -23.1214 0.98178E+00 -0.0080 29 H2O2,aq 0.36736E-18 -18.4349 0.36736E-18 -18.4349 0.10000E+01 0.0000 30 H2S,aq 0.34962-158 -158.4564 0.34960-158 -158.4564 0.99996E+00 0.0000 36 SO2,aq 0.76359E-70 -70.1171 0.76359E-70 -70.1171 0.10000E+01 0.0000 37 SO3-2 0.66303E-65 -65.1785 0.64992E-65 -65.1871 0.98023E+00 -0.0087 38 HSO3- 0.10674E-64 -64.9717 0.10480E-64 -64.9796 0.98178E+00 -0.0080 39 HSO4- 0.41347E-25 -25.3836 0.40594E-25 -25.3915 0.98178E+00 -0.0080 40 HSO5- 0.34717E-46 -46.4595 0.34084E-46 -46.4674 0.98178E+00 -0.0080 41 S2O3-2 0.93154-181 -181.0308 0.91313-181 -181.0395 0.98023E+00 -0.0087 42 HS2O3- 0.45291-186 -186.3440 0.44466-186 -186.3520 0.98178E+00 -0.0080 43 H2S2O3,aq 0.17280-192 -192.7625 0.17280-192 -192.7625 0.10000E+01 0.0000 44 S2O4-2 0.17430-167 -167.7587 0.17086-167 -167.7674 0.98023E+00 -0.0087 45 HS2O4- 0.54464-172 -172.2639 0.53472-172 -172.2719 0.98178E+00 -0.0080 46 H2S2O4,aq 0.12492-178 -178.9034 0.12492-178 -178.9034 0.10000E+01 0.0000 47 S2O5-2 0.17076-134 -134.7676 0.16739-134 -134.7763 0.98023E+00 -0.0087 48 S2O6-2 0.45446-104 -104.3425 0.44547-104 -104.3512 0.98023E+00 -0.0087 49 S2O8-2 0.90716E-79 -79.0423 0.88923E-79 -79.0510 0.98023E+00 -0.0087 Charge balance for all species = 0.2917E-20 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 H2,gas 0.1869-106 1.0000 0.6455E-41 0.6455E-41 H2S,gas 0.8287-223 1.0000 0.2861-157 0.2861-157 S2,gas 0.0000E+00 1.0000 0.7680-258 0.7680-258 NO2,gas 0.4335-100 1.0000 0.1497E-34 0.1497E-34 SO3,gas 0.1655-123 1.0000 0.5714E-58 0.5714E-58 O2,gas 0.1000E+01 1.0000 0.3453E+66 0.3453E+66 NH3,gas 0.2650-149 1.0000 0.9149E-84 0.9149E-84 N2,gas 0.1570-115 1.0000 0.5421E-50 0.5421E-50 SO2,gas 0.1495-135 1.0000 0.5163E-70 0.5163E-70 NON-Ideal mixing with H2O, AND ALL 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 H2,gas 8.42 -32.77 -41.19 -23.537 0.56195E+05 -41.190 3 H2S,gas -7.90 -165.44 -157.54 -78.772 0.21493E+06 -157.543 4 S2,gas -7.24 -265.35 -258.11 -39.710 0.35214E+06 -258.115 5 NO2,gas 76.52 41.69 -34.82 -7.960 0.47511E+05 -34.825 6 SO3,gas 23.88 -34.37 -58.24 -14.561 0.79460E+05 -58.243 7 O2,gas 66.26 65.54 -0.72 -0.480 0.98202E+03 -0.720 8 NH3,gas 11.04 -73.00 -84.04 -42.019 0.11465E+06 -84.039 9 N2,gas 2.57 -47.69 -50.27 -6.486 0.68577E+05 -50.266 10 SO2,gas 3.15 -67.14 -70.29 -18.743 0.95892E+05 -70.287 11 HCl,gas 6.31 -14.01 -20.31 -10.156 0.27711E+05 -20.311 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 = 0.1965E-20 ******** WARNING ******** Computational singularity, IV(N) = 0.0