Step # 0 Xi = 0.0000
Temperature = 0.0 C Pressure = 1.013 bar
pH = 1.766 log fO2 = -96.282
Eh = -0.1667 volts pe = -3.0754
Ionic strength = 0.019135 molal
Activity of water = 0.999338
Solvent mass = 0.89842 kg
Solution mass = 0.89922 kg
Mineral mass = 0.0000 kg
Fluid density = 1.001 g/cm3
compressibility = 4.825e-05 /bar
expansivity = 8.008e-05 /C
viscosity = 0.018 poise
Chlorinity = 0.019198 molal
Dissolved solids = 897 mg/kg sol'n
Elect. conductivity = 9519.86 uS/cm (or umho/cm)
Hardness = 0.00 mg/kg sol'n as CaCO3
carbonate = 0.00 mg/kg sol'n as CaCO3
non-carbonate = 0.00 mg/kg sol'n as CaCO3
Carbonate alkalinity= 0.00 mg/kg sol'n as CaCO3
Water type = H-Cl
Bulk volume = 899. cm3
Fluid volume = 899. cm3
Mineral volume = 0.00 cm3
Inert volume = 0.00 cm3
Porosity = 100. %
Permeability = 98.7 cm2
Mass reacted = 0 g
moles moles grams cm3 rxn rate
Reactants remaining reacted reacted reacted (molal/sec)
---------------------------------------------------------------------------------------------------------
Al2O3 0.01942 0.000 0.000 -- --
CH4(g) (fixed fug.) 0.000 0.000 -- --
CO2(aq) 1.022 0.000 0.000 -- --
CaO 0.02639 0.000 0.000 -- --
FeO 0.3939 0.000 0.000 0.000 --
Formaldehyde(aq) 0.05990 0.000 0.000 -- --
H2S(aq) 0.000 0.000 0.000 -- --
HCN(aq) 0.000 0.000 0.000 -- --
K2O 0.0009555 0.000 0.000 0.000 --
Methanol(aq) 0.1123 0.000 0.000 -- --
MgO 0.4660 0.000 0.000 -- --
MnO 0.000 0.000 0.000 -- --
N2(g) 0.000 0.000 0.000 -- --
NH3(aq) 0.1584 0.000 0.000 -- --
Na2O 0.01404 0.000 0.000 0.000 --
NiO 0.01982 0.000 0.000 -- --
P2O5 0.000 0.000 0.000 -- --
S 0.2195 0.000 0.000 0.000 --
SO2(g) 0.000 0.000 0.000 -- --
SO4-- 0.000 0.000 0.000 -- --
SiO2 0.4464 0.000 0.000 -- --
No minerals in system.
Aqueous species molality mg/kg sol'n act. coef. log act.
------------------------------------------------------------------------------------------
H2(aq) 0.09793 197.2 1.0000 -1.0091
Cl- 0.01914 677.8 0.8720 -1.7776
H+ 0.01914 19.27 0.8955 -1.7661
HCl(aq) 6.243e-05 2.274 1.0000 -4.2046
(only species > 1e-8 molal listed)
Mineral saturation states log Q/K log Q/K
-----------------------------------------------------------------------------------------------
Ice -0.0470
(only minerals with log Q/K > -3 listed)
partial
Gases press. (bar) fugacity fug. coef. log fug.
-----------------------------------------------------------------------------------------
CH4(g) 100.2 100.0 0.9976 2.0000
H2(g) 99.92 100.0 1.001 2.0000
H2O(g) 0.005489 0.005026 0.9156 -2.2988
H2S(g) 1.562e-11 1.546e-11 0.9900 -10.8108
HCl(g) 9.563e-12 9.563e-12 1.000* -11.0194
NH3(g) 1.090e-21 1.077e-21 0.9882 -20.9679
C2H4(g) 1.154e-33 1.154e-33 1.000* -32.9378
CO2(g) 1.090e-33 1.082e-33 0.9932 -32.9657
CO(g) 3.834e-35 3.834e-35 1.000* -34.4164
S2(g) 1.028e-54 1.028e-54 1.000* -53.9880
N2(g) 6.798e-56 6.795e-56 0.9995 -55.1678
SO2(g) 1.138e-58 1.113e-58 0.9786 -57.9534
Cl2(g) 4.140e-61 4.140e-61 1.000* -60.3830
Na(g) 2.797e-74 2.797e-74 1.000* -73.5533
K(g) 4.063e-75 4.063e-75 1.000* -74.3911
NO(g) 7.860e-93 7.860e-93 1.000* -92.1046
O2(g) 5.223e-97 5.218e-97 0.9990 -96.2825
Mg(g) 8.261e-116 8.261e-116 1.000* -115.0830
NO2(g) 1.522e-133 1.522e-133 1.000* -132.8177
Ca(g) 1.356e-140 1.356e-140 1.000* -139.8678
C(g) 6.825e-142 6.825e-142 1.000* -141.1659
Al(g) 2.873e-154 2.873e-154 1.000* -153.5416
Si(g) 2.085e-154 2.085e-154 1.000* -153.6810
*no data, gas taken to be ideal
In fluid Sorbed
Original basis total moles moles mg/kg moles mg/kg
-------------------------------------------------------------------------------------------------
H2O 49.96 49.96 1.001e+06
Al+++ 3.706e-12 3.706e-12 1.112e-07
Ca++ 2.495e-12 2.495e-12 1.112e-07
Cl- 0.01725 0.01725 680.0
Fe++ 1.791e-12 1.791e-12 1.112e-07
H+ 0.01725 0.01725 19.33
HCO3- 4.591e-14 4.591e-14 3.115e-09
HPO4-- 9.369e-12 9.369e-12 1.000e-06
K+ 2.558e-12 2.558e-12 1.112e-07
Mg++ 4.114e-12 4.114e-12 1.112e-07
Mn++ 1.637e-11 1.637e-11 1.000e-06
NH3(aq) 5.280e-11 5.280e-11 1.000e-06
Na+ 4.350e-12 4.350e-12 1.112e-07
Ni++ 1.532e-11 1.532e-11 1.000e-06
O2(aq) -0.04399 -0.04399 -1565.
SO4-- 3.024e-12 3.024e-12 3.230e-07
SiO2(aq) 1.664e-12 1.664e-12 1.112e-07
In fluid Sorbed
Elemental composition total moles moles mg/kg moles mg/kg
-------------------------------------------------------------------------------------------------
Aluminum 3.706e-12 3.706e-12 1.112e-07
Calcium 2.495e-12 2.495e-12 1.112e-07
Carbon 4.591e-14 4.591e-14 6.132e-10
Chlorine 0.01725 0.01725 680.0
Hydrogen 99.93 99.93 1.120e+05
Iron 1.791e-12 1.791e-12 1.112e-07
Magnesium 4.114e-12 4.114e-12 1.112e-07
Manganese 1.637e-11 1.637e-11 1.000e-06
Nickel 1.532e-11 1.532e-11 1.000e-06
Nitrogen 5.280e-11 5.280e-11 8.225e-07
Oxygen 49.87 49.87 8.873e+05
Phosphorus 9.369e-12 9.369e-12 3.227e-07
Potassium 2.558e-12 2.558e-12 1.112e-07
Silicon 1.664e-12 1.664e-12 5.198e-08
Sodium 4.350e-12 4.350e-12 1.112e-07
Sulfur 3.024e-12 3.024e-12 1.078e-07
Step # 1 Xi = 0.0010
Temperature = 0.0 C Pressure = 1.013 bar
pH = 1.824 log fO2 = -96.236
Eh = -0.1692 volts pe = -3.1217
Ionic strength = 0.020262 molal
Activity of water = 0.999338
Solvent mass = 0.89847 kg
Solution mass = 0.89932 kg
Mineral mass = 2.5560e-05 kg
Fluid density = 1.001 g/cm3
compressibility = 4.825e-05 /bar
expansivity = 8.007e-05 /C
viscosity = 0.018 poise
Chlorinity = 0.019196 molal
Dissolved solids = 938 mg/kg sol'n
Elect. conductivity = 8623.93 uS/cm (or umho/cm)
Hardness = 54.80 mg/kg sol'n as CaCO3
carbonate = 0.00 mg/kg sol'n as CaCO3
non-carbonate = 54.80 mg/kg sol'n as CaCO3
Carbonate alkalinity= 0.00 mg/kg sol'n as CaCO3
Water type = H-Cl
Bulk volume = 899. cm3
Fluid volume = 899. cm3
Mineral volume = 0.00965 cm3
Inert volume = 0.00 cm3
Porosity = 100. %
Permeability = 98.7 cm2
Mass reacted = 0.121 g
moles moles grams cm3 rxn rate
Reactants remaining reacted reacted reacted (molal/sec)
---------------------------------------------------------------------------------------------------------
Al2O3 0.01940 1.942e-05 0.001980 -- --
CH4(g) (fixed fug.) -0.001194 -0.01915 -- --
CO2(aq) 1.021 0.001022 0.04496 -- --
CaO 0.02637 2.639e-05 0.001480 -- --
FeO 0.3935 0.0003939 0.02830 0.004727 --
Formaldehyde(aq) 0.05984 5.990e-05 0.001798 -- --
H2S(aq) 0.000 0.000 0.000 -- --
HCN(aq) 0.000 0.000 0.000 -- --
K2O 0.0009545 9.555e-07 9.000e-05 3.858e-05 --
Methanol(aq) 0.1121 0.0001123 0.003597 -- --
MgO 0.4655 0.0004660 0.01878 -- --
MnO 0.000 0.000 0.000 -- --
N2(g) 0.000 0.000 0.000 -- --
NH3(aq) 0.1582 0.0001584 0.002698 -- --
Na2O 0.01402 1.404e-05 0.0008700 0.0003509 --
NiO 0.01980 1.982e-05 0.001480 -- --
P2O5 0.000 0.000 0.000 -- --
S 0.2193 0.0002195 0.007040 0.003405 --
SO2(g) 0.000 0.000 0.000 -- --
SO4-- 0.000 0.000 0.000 -- --
SiO2 0.4459 0.0004464 0.02682 -- --
Minerals in system moles log moles grams volume (cm3)
-------------------------------------------------------------------------------------------
Quartz 0.0004254 -3.371 0.02556 0.009652
_____________ _____________
(total) 0.02556 0.009652
Aqueous species molality mg/kg sol'n act. coef. log act.
------------------------------------------------------------------------------------------
H2(aq) 0.09287 187.0 1.0000 -1.0321
Cl- 0.01913 677.7 0.8690 -1.7792
H+ 0.01679 16.90 0.8936 -1.8239
Mg++ 0.0005132 12.46 0.6245 -3.4942
Fe++ 0.0004349 24.26 0.6035 -3.5809
H2S(aq) 0.0002444 8.320 1.0000 -3.6120
NH4+ 0.0001763 3.177 0.8665 -3.8160
HCl(aq) 5.445e-05 1.983 1.0000 -4.2640
Al+++ 4.322e-05 1.165 0.3582 -4.8101
Na+ 3.118e-05 0.7161 0.8739 -4.5647
Ca++ 2.930e-05 1.173 0.6035 -4.7524
SiO2(aq) 2.334e-05 1.401 1.0000 -4.6319
Ni++ 2.203e-05 1.292 0.6035 -4.8763
MgCl+ 5.442e-06 0.3249 0.8739 -5.3228
FeCl+ 3.517e-06 0.3208 0.8739 -5.5124
K+ 2.126e-06 0.08305 0.8690 -5.7334
CaCl+ 7.146e-08 0.005392 0.8739 -7.2045
NaCl(aq) 6.722e-08 0.003925 1.0000 -7.1725
NiCl+ 2.285e-08 0.002149 0.8739 -7.6997
(only species > 1e-8 molal listed)
Mineral saturation states log Q/K log Q/K
-----------------------------------------------------------------------------------------------
Quartz 0.0000 sat Cristobalite(alpha) -0.6106
Ice -0.0470 Coesite -0.8796
Tridymite -0.2064 Cristobalite(beta) -1.1306
Chalcedony -0.2960 SiO2(am) -1.5079
(only minerals with log Q/K > -3 listed)
partial
Gases press. (bar) fugacity fug. coef. log fug.
-----------------------------------------------------------------------------------------
CH4(g) 100.2 100.0 0.9976 2.0000
H2(g) 94.76 94.84 1.001 1.9770
H2O(g) 0.005489 0.005026 0.9156 -2.2988
H2S(g) 0.001134 0.001123 0.9900 -2.9498
HCl(g) 8.340e-12 8.340e-12 1.000* -11.0788
NH3(g) 3.721e-15 3.677e-15 0.9882 -14.4345
CO2(g) 1.347e-33 1.338e-33 0.9932 -32.8736
C2H4(g) 1.283e-33 1.283e-33 1.000* -32.8917
CO(g) 4.495e-35 4.495e-35 1.000* -34.3473
S2(g) 6.026e-39 6.026e-39 1.000* -38.2200
N2(g) 9.295e-43 9.291e-43 0.9995 -42.0320
SO2(g) 9.683e-51 9.476e-51 0.9786 -50.0234
Cl2(g) 3.320e-61 3.320e-61 1.000* -60.4788
Na(g) 2.002e-67 2.002e-67 1.000* -66.6985
K(g) 3.366e-69 3.366e-69 1.000* -68.4729
NO(g) 3.065e-86 3.065e-86 1.000* -85.5136
O2(g) 5.808e-97 5.802e-97 0.9990 -96.2364
Mg(g) 1.147e-107 1.147e-107 1.000* -106.9405
NO2(g) 6.256e-127 6.256e-127 1.000* -126.2037
Ca(g) 1.755e-133 1.755e-133 1.000* -132.7556
C(g) 7.588e-142 7.588e-142 1.000* -141.1198
Al(g) 4.062e-147 4.062e-147 1.000* -146.3913
Si(g) 2.362e-147 2.362e-147 1.000* -146.6267
*no data, gas taken to be ideal
In fluid Sorbed
Original basis total moles moles mg/kg moles mg/kg
-------------------------------------------------------------------------------------------------
H2O 49.96 49.96 1.001e+06
Al+++ 3.884e-05 3.884e-05 1.165
Ca++ 2.639e-05 2.639e-05 1.176
Cl- 0.01725 0.01725 679.9
Fe++ 0.0003939 0.0003939 24.46
H+ 0.01573 0.01573 17.63
HCO3- 4.841e-14 4.841e-14 3.285e-09
HPO4-- 9.369e-12 9.369e-12 9.999e-07
K+ 1.911e-06 1.911e-06 0.08308
Mg++ 0.0004660 0.0004660 12.59
Mn++ 1.637e-11 1.637e-11 9.999e-07
NH3(aq) 0.0001584 0.0001584 3.000
Na+ 2.807e-05 2.807e-05 0.7177
Ni++ 1.982e-05 1.982e-05 1.293
O2(aq) -0.04216 -0.04216 -1500.
SO4-- 0.0002195 0.0002195 23.45
SiO2(aq) 0.0004464 2.097e-05 1.401
In fluid Sorbed
Elemental composition total moles moles mg/kg moles mg/kg
-------------------------------------------------------------------------------------------------
Aluminum 3.884e-05 3.884e-05 1.165
Calcium 2.639e-05 2.639e-05 1.176
Carbon 4.841e-14 4.841e-14 6.466e-10
Chlorine 0.01725 0.01725 679.9
Hydrogen 99.93 99.93 1.120e+05
Iron 0.0003939 0.0003939 24.46
Magnesium 0.0004660 0.0004660 12.59
Manganese 1.637e-11 1.637e-11 9.999e-07
Nickel 1.982e-05 1.982e-05 1.293
Nitrogen 0.0001584 0.0001584 2.467
Oxygen 49.87 49.87 8.873e+05
Phosphorus 9.369e-12 9.369e-12 3.227e-07
Potassium 1.911e-06 1.911e-06 0.08308
Silicon 0.0004464 2.097e-05 0.6549
Sodium 2.807e-05 2.807e-05 0.7177
Sulfur 0.0002195 0.0002195 7.828
Step # 9 Xi = 0.0090
Temperature = 0.0 C Pressure = 1.013 bar
pH = 4.636 log fO2 = -95.740
Eh = -0.3148 volts pe = -5.8093
Ionic strength = 0.027764 molal
Activity of water = 0.999339
Solvent mass = 0.89892 kg
Solution mass = 0.90001 kg
Mineral mass = 0.00030151 kg
Fluid density = 1.001 g/cm3
compressibility = 4.825e-05 /bar
expansivity = 8.004e-05 /C
viscosity = 0.018 poise
Chlorinity = 0.019187 molal
Dissolved solids = 1208 mg/kg sol'n
Elect. conductivity = 2250.36 uS/cm (or umho/cm)
Hardness = 492.78 mg/kg sol'n as CaCO3
carbonate = 0.00 mg/kg sol'n as CaCO3
non-carbonate = 492.78 mg/kg sol'n as CaCO3
Carbonate alkalinity= 0.00 mg/kg sol'n as CaCO3
Water type = Mg-Cl
Bulk volume = 899. cm3
Fluid volume = 899. cm3
Mineral volume = 0.107 cm3
Inert volume = 0.00 cm3
Porosity = 100. %
Permeability = 98.3 cm2
Mass reacted = 1.09 g
moles moles grams cm3 rxn rate
Reactants remaining reacted reacted reacted (molal/sec)
---------------------------------------------------------------------------------------------------------
Al2O3 0.01924 0.0001748 0.01782 -- --
CH4(g) (fixed fug.) -0.01074 -0.1724 -- --
CO2(aq) 1.012 0.009195 0.4046 -- --
CaO 0.02615 0.0002375 0.01332 -- --
FeO 0.3904 0.003545 0.2547 0.04254 --
Formaldehyde(aq) 0.05936 0.0005391 0.01619 -- --
H2S(aq) 0.000 0.000 0.000 -- --
HCN(aq) 0.000 0.000 0.000 -- --
K2O 0.0009469 8.599e-06 0.0008100 0.0003472 --
Methanol(aq) 0.1112 0.001010 0.03237 -- --
MgO 0.4618 0.004194 0.1690 -- --
MnO 0.000 0.000 0.000 -- --
N2(g) 0.000 0.000 0.000 -- --
NH3(aq) 0.1570 0.001426 0.02428 -- --
Na2O 0.01391 0.0001263 0.007830 0.003158 --
NiO 0.01964 0.0001783 0.01332 -- --
P2O5 0.000 0.000 0.000 -- --
S 0.2176 0.001976 0.06336 0.03065 --
SO2(g) 0.000 0.000 0.000 -- --
SO4-- 0.000 0.000 0.000 -- --
SiO2 0.4424 0.004017 0.2414 -- --
Minerals in system moles log moles grams volume (cm3)
-------------------------------------------------------------------------------------------
Kaolinite 0.0001494 -3.826 0.03857 0.01487
Pyrrhotite 0.0004638 -3.334 0.04078 0.008441
Quartz 0.003698 -2.432 0.2222 0.08389
_____________ _____________
(total) 0.3015 0.1072
Aqueous species molality mg/kg sol'n act. coef. log act.
------------------------------------------------------------------------------------------
H2(aq) 0.05244 105.6 1.0000 -1.2804
Cl- 0.01911 676.8 0.8516 -1.7884
Mg++ 0.004619 112.1 0.5908 -2.5640
Fe++ 0.003402 189.8 0.5658 -2.7156
H2S(aq) 0.001679 57.15 1.0000 -2.7750
NH4+ 0.001586 28.57 0.8483 -2.8712
Na+ 0.0002805 6.441 0.8578 -3.6187
Ca++ 0.0002636 10.55 0.5658 -3.8264
Ni++ 0.0001982 11.62 0.5658 -3.9503
Al+++ 5.387e-05 1.452 0.3186 -4.7654
MgCl+ 4.621e-05 2.758 0.8578 -4.4018
H+ 2.622e-05 0.02639 0.8825 -4.6357
FeCl+ 2.572e-05 2.345 0.8578 -4.6563
SiO2(aq) 2.334e-05 1.401 1.0000 -4.6319
K+ 1.913e-05 0.7469 0.8516 -4.7881
HS- 3.258e-06 0.1076 0.8548 -5.5552
AlOH++ 2.554e-06 0.1122 0.5450 -5.8564
CaCl+ 6.010e-07 0.04534 0.8578 -6.2877
NaCl(aq) 5.812e-07 0.03393 1.0000 -6.2357
NiCl+ 1.922e-07 0.01807 0.8578 -6.7829
HCl(aq) 8.222e-08 0.002994 1.0000 -7.0850
Al(OH)2+ 2.708e-08 0.001650 0.8578 -7.6340
CaCl2(aq) 1.396e-08 0.001547 1.0000 -7.8552
(only species > 1e-8 molal listed)
Mineral saturation states log Q/K log Q/K
-----------------------------------------------------------------------------------------------
Polydymite 14.3774s/sat Boehmite -0.2245
Heazlewoodite 12.3070s/sat Gibbsite -0.2378
Millerite 3.4026s/sat Chalcedony -0.2960
Vaesite 2.3812s/sat Cristobalite(alpha) -0.6106
Pyrite 1.5038s/sat Coesite -0.8796
Diaspore 0.2237s/sat Cristobalite(beta) -1.1306
Troilite 0.1079s/sat SiO2(am) -1.5079
Kaolinite 0.0000 sat Ni -1.7924
Quartz 0.0000 sat Pyrophyllite -1.8789
Pyrrhotite 0.0000 sat Beidellite-Mg -2.3880
Ice -0.0470 Beidellite-H -2.4027
Tridymite -0.2064 Beidellite-Ca -2.5850
(only minerals with log Q/K > -3 listed)
partial
Gases press. (bar) fugacity fug. coef. log fug.
-----------------------------------------------------------------------------------------
CH4(g) 100.2 100.0 0.9976 2.0000
H2(g) 53.50 53.55 1.001 1.7287
H2S(g) 0.007791 0.007713 0.9900 -2.1128
H2O(g) 0.005489 0.005026 0.9156 -2.2988
NH3(g) 2.125e-11 2.100e-11 0.9882 -10.6778
HCl(g) 1.259e-14 1.259e-14 1.000* -13.8998
CO2(g) 1.325e-32 1.316e-32 0.9932 -31.8806
C2H4(g) 4.025e-33 4.025e-33 1.000* -32.3953
CO(g) 2.497e-34 2.497e-34 1.000* -33.6026
N2(g) 1.683e-34 1.683e-34 0.9995 -33.7740
S2(g) 8.923e-37 8.923e-37 1.000* -36.0495
SO2(g) 3.696e-49 3.617e-49 0.9786 -48.4417
Na(g) 8.613e-64 8.613e-64 1.000* -63.0648
K(g) 1.445e-65 1.445e-65 1.000* -64.8400
Cl2(g) 1.341e-66 1.341e-66 1.000* -65.8726
NO(g) 7.304e-82 7.304e-82 1.000* -81.1364
O2(g) 1.822e-96 1.820e-96 0.9990 -95.7399
Mg(g) 2.317e-101 2.317e-101 1.000* -100.6350
NO2(g) 2.641e-122 2.641e-122 1.000* -121.5782
Ca(g) 3.514e-127 3.514e-127 1.000* -126.4542
Al(g) 5.206e-139 5.206e-139 1.000* -138.2835
C(g) 2.380e-141 2.380e-141 1.000* -140.6234
Si(g) 7.531e-148 7.531e-148 1.000* -147.1232
*no data, gas taken to be ideal
In fluid Sorbed
Original basis total moles moles mg/kg moles mg/kg
-------------------------------------------------------------------------------------------------
H2O 49.95 49.94 9.997e+05
Al+++ 0.0003495 5.075e-05 1.521
Ca++ 0.0002375 0.0002375 10.58
Cl- 0.01725 0.01725 679.4
Fe++ 0.003545 0.003081 191.2
H+ 0.003572 0.004468 5.004
HCO3- 8.579e-14 8.579e-14 5.816e-09
HPO4-- 9.369e-12 9.369e-12 9.991e-07
K+ 1.720e-05 1.720e-05 0.7471
Mg++ 0.004194 0.004194 113.2
Mn++ 1.637e-11 1.637e-11 9.991e-07
NH3(aq) 0.001426 0.001426 26.98
Na+ 0.0002527 0.0002527 6.454
Ni++ 0.0001783 0.0001783 11.63
O2(aq) -0.02752 -0.02659 -945.5
SO4-- 0.001976 0.001512 161.4
SiO2(aq) 0.004017 2.098e-05 1.401
In fluid Sorbed
Elemental composition total moles moles mg/kg moles mg/kg
-------------------------------------------------------------------------------------------------
Aluminum 0.0003495 5.075e-05 1.521
Calcium 0.0002375 0.0002375 10.58
Carbon 8.579e-14 8.579e-14 1.145e-09
Chlorine 0.01725 0.01725 679.4
Hydrogen 99.90 99.90 1.119e+05
Iron 0.003545 0.003081 191.2
Magnesium 0.004194 0.004194 113.2
Manganese 1.637e-11 1.637e-11 9.991e-07
Nickel 0.0001783 0.0001783 11.63
Nitrogen 0.001426 0.001426 22.19
Oxygen 49.91 49.90 8.870e+05
Phosphorus 9.369e-12 9.369e-12 3.224e-07
Potassium 1.720e-05 1.720e-05 0.7471
Silicon 0.004017 2.098e-05 0.6547
Sodium 0.0002527 0.0002527 6.454
Sulfur 0.001976 0.001512 53.87
Step # 11 Xi = 0.0110
Temperature = 0.0 C Pressure = 1.013 bar
pH = 5.538 log fO2 = -95.554
Eh = -0.3612 volts pe = -6.6647
Ionic strength = 0.027475 molal
Activity of water = 0.999339
Solvent mass = 0.89903 kg
Solution mass = 0.90002 kg
Mineral mass = 0.00053240 kg
Fluid density = 1.001 g/cm3
compressibility = 4.825e-05 /bar
expansivity = 8.005e-05 /C
viscosity = 0.018 poise
Chlorinity = 0.019185 molal
Dissolved solids = 1098 mg/kg sol'n
Elect. conductivity = 2268.25 uS/cm (or umho/cm)
Hardness = 602.28 mg/kg sol'n as CaCO3
carbonate = 0.00 mg/kg sol'n as CaCO3
non-carbonate = 602.28 mg/kg sol'n as CaCO3
Carbonate alkalinity= 0.00 mg/kg sol'n as CaCO3
Water type = Mg-Cl
Bulk volume = 899. cm3
Fluid volume = 899. cm3
Mineral volume = 0.166 cm3
Inert volume = 0.00 cm3
Porosity = 100. %
Permeability = 98.1 cm2
Mass reacted = 1.33 g
moles moles grams cm3 rxn rate
Reactants remaining reacted reacted reacted (molal/sec)
---------------------------------------------------------------------------------------------------------
Al2O3 0.01921 0.0002136 0.02178 -- --
CH4(g) (fixed fug.) -0.01313 -0.2107 -- --
CO2(aq) 1.010 0.01124 0.4946 -- --
CaO 0.02610 0.0002903 0.01628 -- --
FeO 0.3896 0.004333 0.3113 0.05199 --
Formaldehyde(aq) 0.05924 0.0006589 0.01978 -- --
H2S(aq) 0.000 0.000 0.000 -- --
HCN(aq) 0.000 0.000 0.000 -- --
K2O 0.0009449 1.051e-05 0.0009900 0.0004244 --
Methanol(aq) 0.1110 0.001235 0.03957 -- --
MgO 0.4608 0.005125 0.2066 -- --
MnO 0.000 0.000 0.000 -- --
N2(g) 0.000 0.000 0.000 -- --
NH3(aq) 0.1567 0.001742 0.02967 -- --
Na2O 0.01388 0.0001544 0.009570 0.003860 --
NiO 0.01960 0.0002180 0.01628 -- --
P2O5 0.000 0.000 0.000 -- --
S 0.2171 0.002415 0.07744 0.03746 --
SO2(g) 0.000 0.000 0.000 -- --
SO4-- 0.000 0.000 0.000 -- --
SiO2 0.4415 0.004910 0.2950 -- --
Minerals in system moles log moles grams volume (cm3)
-------------------------------------------------------------------------------------------
Kaolinite 0.0002135 -3.671 0.05513 0.02125
Ni 3.209e-06 -5.494 0.0001883 2.114e-05
Pyrrhotite 0.002377 -2.624 0.2090 0.04326
Quartz 0.004462 -2.350 0.2681 0.1012
_____________ _____________
(total) 0.5324 0.1658
Aqueous species molality mg/kg sol'n act. coef. log act.
------------------------------------------------------------------------------------------
H2(aq) 0.04233 85.24 1.0000 -1.3733
Cl- 0.01911 676.8 0.8522 -1.7882
Mg++ 0.005645 137.0 0.5919 -2.4761
Fe++ 0.002159 120.4 0.5670 -2.9121
NH4+ 0.001938 34.92 0.8490 -2.7837
Na+ 0.0003428 7.872 0.8584 -3.5313
Ca++ 0.0003222 12.90 0.5670 -3.7383
Ni++ 0.0002386 13.99 0.5670 -3.8686
MgCl+ 5.657e-05 3.377 0.8584 -4.3137
H2S(aq) 4.147e-05 1.412 1.0000 -4.3822
K+ 2.337e-05 0.9129 0.8522 -4.7007
SiO2(aq) 2.334e-05 1.401 1.0000 -4.6319
FeCl+ 1.636e-05 1.492 0.8584 -4.8526
H+ 3.285e-06 0.003307 0.8829 -5.5376
CaCl+ 7.361e-07 0.05553 0.8584 -6.1994
NaCl(aq) 7.111e-07 0.04151 1.0000 -6.1481
HS- 6.417e-07 0.02120 0.8554 -6.2605
NiCl+ 2.319e-07 0.02181 0.8584 -6.7010
Al+++ 1.057e-07 0.002848 0.3199 -7.4710
NH3(aq) 4.839e-08 0.0008232 1.0000 -7.3153
AlOH++ 4.003e-08 0.001759 0.5464 -7.6601
CaCl2(aq) 1.711e-08 0.001897 1.0000 -7.7667
HCl(aq) 1.031e-08 0.0003756 1.0000 -7.9867
(only species > 1e-8 molal listed)
Mineral saturation states log Q/K log Q/K
-----------------------------------------------------------------------------------------------
Heazlewoodite 14.6557s/sat Chalcedony -0.2960
Polydymite 13.6975s/sat Cristobalite(alpha) -0.6106
Millerite 3.6807s/sat Coesite -0.8796
Vaesite 1.1450s/sat Cristobalite(beta) -1.1306
Diaspore 0.2237s/sat SiO2(am) -1.5079
Troilite 0.1079s/sat Pyrophyllite -1.8789
Kaolinite 0.0000 sat Beidellite-Mg -2.0759
Pyrrhotite 0.0000 sat Beidellite-Ca -2.2728
Ni 0.0000 sat Beidellite-H -2.4027
Quartz 0.0000 sat Montmor-Mg -2.6031
Pyrite -0.0105 Beidellite-K -2.7392
Ice -0.0470 Muscovite -2.7649
Tridymite -0.2064 Beidellite-Na -2.7745
Boehmite -0.2245 Montmor-Ca -2.8793
Gibbsite -0.2378
(only minerals with log Q/K > -3 listed)
partial
Gases press. (bar) fugacity fug. coef. log fug.
-----------------------------------------------------------------------------------------
CH4(g) 100.2 100.0 0.9976 2.0000
H2(g) 43.19 43.23 1.001 1.6358
H2O(g) 0.005489 0.005026 0.9156 -2.2988
H2S(g) 0.0001925 0.0001905 0.9900 -3.7200
NH3(g) 2.073e-10 2.049e-10 0.9882 -9.6886
HCl(g) 1.580e-15 1.580e-15 1.000* -14.8015
CO2(g) 3.121e-32 3.099e-32 0.9932 -31.5087
N2(g) 3.046e-32 3.044e-32 0.9995 -31.5165
C2H4(g) 6.176e-33 6.176e-33 1.000* -32.2093
CO(g) 4.746e-34 4.746e-34 1.000* -33.3237
S2(g) 8.355e-40 8.355e-40 1.000* -39.0780
SO2(g) 1.735e-50 1.698e-50 0.9786 -49.7700
Na(g) 7.550e-63 7.550e-63 1.000* -62.1221
K(g) 1.267e-64 1.267e-64 1.000* -63.8972
Cl2(g) 2.613e-68 2.613e-68 1.000* -67.5829
NO(g) 1.217e-80 1.217e-80 1.000* -79.9147
O2(g) 2.795e-96 2.793e-96 0.9990 -95.5540
Mg(g) 1.458e-99 1.458e-99 1.000* -98.8363
NO2(g) 5.451e-121 5.451e-121 1.000* -120.2635
Ca(g) 2.211e-125 2.211e-125 1.000* -124.6554
Al(g) 3.776e-139 3.776e-139 1.000* -138.4230
C(g) 3.652e-141 3.652e-141 1.000* -140.4374
Si(g) 4.908e-148 4.908e-148 1.000* -147.3091
*no data, gas taken to be ideal
In fluid Sorbed
Original basis total moles moles mg/kg moles mg/kg
-------------------------------------------------------------------------------------------------
H2O 49.94 49.94 9.997e+05
Al+++ 0.0004272 1.343e-07 0.004026
Ca++ 0.0002903 0.0002903 12.93
Cl- 0.01725 0.01725 679.4
Fe++ 0.004333 0.001956 121.4
H+ 0.0005328 0.001820 2.039
HCO3- 1.063e-13 1.063e-13 7.205e-09
HPO4-- 9.369e-12 9.369e-12 9.991e-07
K+ 2.102e-05 2.102e-05 0.9131
Mg++ 0.005125 0.005125 138.4
Mn++ 1.637e-11 1.637e-11 9.991e-07
NH3(aq) 0.001742 0.001742 32.97
Na+ 0.0003088 0.0003088 7.888
Ni++ 0.0002180 0.0002148 14.00
O2(aq) -0.02386 -0.01910 -679.2
SO4-- 0.002415 3.786e-05 4.041
SiO2(aq) 0.004910 2.098e-05 1.401
In fluid Sorbed
Elemental composition total moles moles mg/kg moles mg/kg
-------------------------------------------------------------------------------------------------
Aluminum 0.0004272 1.343e-07 0.004026
Calcium 0.0002903 0.0002903 12.93
Carbon 1.063e-13 1.063e-13 1.418e-09
Chlorine 0.01725 0.01725 679.4
Hydrogen 99.89 99.89 1.119e+05
Iron 0.004333 0.001956 121.4
Magnesium 0.005125 0.005125 138.4
Manganese 1.637e-11 1.637e-11 9.991e-07
Nickel 0.0002180 0.0002148 14.00
Nitrogen 0.001742 0.001742 27.12
Oxygen 49.91 49.90 8.871e+05
Phosphorus 9.369e-12 9.369e-12 3.224e-07
Potassium 2.102e-05 2.102e-05 0.9131
Silicon 0.004910 2.098e-05 0.6548
Sodium 0.0003088 0.0003088 7.888
Sulfur 0.002415 3.786e-05 1.349
Step # 12 Xi = 0.0120
Temperature = 0.0 C Pressure = 1.013 bar
pH = 7.131 log fO2 = -95.438
Eh = -0.4460 volts pe = -8.2287
Ionic strength = 0.027367 molal
Activity of water = 0.999339
Solvent mass = 0.89907 kg
Solution mass = 0.90003 kg
Mineral mass = 0.00063770 kg
Fluid density = 1.001 g/cm3
compressibility = 4.825e-05 /bar
expansivity = 8.006e-05 /C
viscosity = 0.018 poise
Chlorinity = 0.019184 molal
Dissolved solids = 1067 mg/kg sol'n
Elect. conductivity = 2300.36 uS/cm (or umho/cm)
Hardness = 657.02 mg/kg sol'n as CaCO3
carbonate = 0.00 mg/kg sol'n as CaCO3
non-carbonate = 657.02 mg/kg sol'n as CaCO3
Carbonate alkalinity= 0.00 mg/kg sol'n as CaCO3
Water type = Mg-Cl
Bulk volume = 900. cm3
Fluid volume = 899. cm3
Mineral volume = 0.193 cm3
Inert volume = 0.00 cm3
Porosity = 100. %
Permeability = 98.0 cm2
Mass reacted = 1.45 g
moles moles grams cm3 rxn rate
Reactants remaining reacted reacted reacted (molal/sec)
---------------------------------------------------------------------------------------------------------
Al2O3 0.01919 0.0002330 0.02376 -- --
CH4(g) (fixed fug.) -0.01433 -0.2298 -- --
CO2(aq) 1.009 0.01226 0.5395 -- --
CaO 0.02608 0.0003167 0.01776 -- --
FeO 0.3892 0.004727 0.3396 0.05672 --
Formaldehyde(aq) 0.05918 0.0007187 0.02158 -- --
H2S(aq) 0.000 0.000 0.000 -- --
HCN(aq) 0.000 0.000 0.000 -- --
K2O 0.0009440 1.147e-05 0.001080 0.0004630 --
Methanol(aq) 0.1109 0.001347 0.04316 -- --
MgO 0.4604 0.005591 0.2254 -- --
MnO 0.000 0.000 0.000 -- --
N2(g) 0.000 0.000 0.000 -- --
NH3(aq) 0.1565 0.001901 0.03237 -- --
Na2O 0.01387 0.0001684 0.01044 0.004211 --
NiO 0.01958 0.0002378 0.01776 -- --
P2O5 0.000 0.000 0.000 -- --
S 0.2169 0.002635 0.08448 0.04086 --
SO2(g) 0.000 0.000 0.000 -- --
SO4-- 0.000 0.000 0.000 -- --
SiO2 0.4410 0.005356 0.3218 -- --
Minerals in system moles log moles grams volume (cm3)
-------------------------------------------------------------------------------------------
Kaolinite 0.0002330 -3.633 0.06016 0.02319
Minnesotaite 0.0001687 -3.773 0.07996 0.02495
Ni 0.0002376 -3.624 0.01395 0.001565
Pyrrhotite 0.002635 -2.579 0.2316 0.04795
Quartz 0.004194 -2.377 0.2520 0.09516
_____________ _____________
(total) 0.6377 0.1928
Aqueous species molality mg/kg sol'n act. coef. log act.
------------------------------------------------------------------------------------------
H2(aq) 0.03702 74.55 1.0000 -1.4316
Cl- 0.01911 676.7 0.8525 -1.7881
Mg++ 0.006157 149.5 0.5923 -2.4380
NH4+ 0.002112 38.06 0.8492 -2.7463
Fe++ 0.001751 97.67 0.5675 -3.0028
Na+ 0.0003739 8.587 0.8586 -3.4934
Ca++ 0.0003514 14.07 0.5675 -3.7002
MgCl+ 6.175e-05 3.686 0.8586 -4.2756
K+ 2.550e-05 0.9959 0.8525 -4.6628
SiO2(aq) 2.334e-05 1.401 1.0000 -4.6319
FeCl+ 1.327e-05 1.211 0.8586 -4.9432
NH3(aq) 2.067e-06 0.03516 1.0000 -5.6847
CaCl+ 8.035e-07 0.06063 0.8586 -6.1612
NaCl(aq) 7.760e-07 0.04530 1.0000 -6.1102
Ni++ 1.776e-07 0.01041 0.5675 -6.9966
H+ 8.382e-08 8.439e-05 0.8830 -7.1307
H2S(aq) 3.328e-08 0.001133 1.0000 -7.4778
HS- 2.017e-08 0.0006664 0.8556 -7.7630
CaCl2(aq) 1.869e-08 0.002072 1.0000 -7.7284
OH- 1.813e-08 0.0003080 0.8556 -7.8094
HSiO3- 1.744e-08 0.001343 0.8586 -7.8246
(only species > 1e-8 molal listed)
Mineral saturation states log Q/K log Q/K
-----------------------------------------------------------------------------------------------
Heazlewoodite 8.5810s/sat Cristobalite(beta) -1.1306
Polydymite 1.5482s/sat Muscovite -1.1339
Millerite 0.6434s/sat Montmor-Ca -1.2833
Daphnite-14A 0.4320s/sat SiO2(am) -1.5079
Diaspore 0.2237s/sat Beidellite-Mg -1.5439
Troilite 0.1079s/sat Ferrosilite -1.6385
Minnesotaite 0.0000 sat Montmor-K -1.6641
Pyrrhotite 0.0000 sat Montmor-Na -1.7060
Ni 0.0000 sat Beidellite-Ca -1.7408
Kaolinite 0.0000 sat Annite -1.8139
Quartz 0.0000 sat Pyrophyllite -1.8789
Ice -0.0470 Maximum_Microcline -2.0655
Tridymite -0.2064 K-Feldspar -2.0699
Boehmite -0.2245 Stilbite -2.0771
Gibbsite -0.2378 Illite -2.1365
Chalcedony -0.2960 Beidellite-K -2.2010
Greenalite -0.6078 Beidellite-Na -2.2363
Cristobalite(alpha) -0.6106 Chamosite-7A -2.3864
Coesite -0.8796 Beidellite-H -2.4027
Montmor-Mg -1.0071 Mesolite -2.5339
(only minerals with log Q/K > -3 listed)
partial
Gases press. (bar) fugacity fug. coef. log fug.
-----------------------------------------------------------------------------------------
CH4(g) 100.2 100.0 0.9976 2.0000
H2(g) 37.77 37.80 1.001 1.5775
H2O(g) 0.005489 0.005026 0.9156 -2.2988
H2S(g) 1.545e-07 1.529e-07 0.9900 -6.8156
NH3(g) 8.855e-09 8.750e-09 0.9882 -8.0580
HCl(g) 4.032e-17 4.032e-17 1.000* -16.3945
N2(g) 8.308e-29 8.304e-29 0.9995 -28.0807
CO2(g) 5.334e-32 5.298e-32 0.9932 -31.2759
C2H4(g) 8.074e-33 8.074e-33 1.000* -32.0929
CO(g) 7.095e-34 7.095e-34 1.000* -33.1490
S2(g) 7.035e-46 7.035e-46 1.000* -45.1527
SO2(g) 2.082e-53 2.038e-53 0.9786 -52.6909
Na(g) 3.019e-61 3.019e-61 1.000* -60.5202
K(g) 5.066e-63 5.066e-63 1.000* -62.2953
Cl2(g) 1.946e-71 1.946e-71 1.000* -70.7108
NO(g) 7.268e-79 7.268e-79 1.000* -78.1386
O2(g) 3.655e-96 3.651e-96 0.9990 -95.4376
Mg(g) 2.137e-96 2.137e-96 1.000* -95.6702
NO2(g) 3.722e-119 3.722e-119 1.000* -118.4292
Ca(g) 3.241e-122 3.241e-122 1.000* -121.4893
Al(g) 3.088e-139 3.088e-139 1.000* -138.5103
C(g) 4.775e-141 4.775e-141 1.000* -140.3210
Si(g) 3.754e-148 3.754e-148 1.000* -147.4255
*no data, gas taken to be ideal
In fluid Sorbed
Original basis total moles moles mg/kg moles mg/kg
-------------------------------------------------------------------------------------------------
H2O 49.94 49.94 9.996e+05
Al+++ 0.0004661 6.566e-10 1.968e-05
Ca++ 0.0003167 0.0003167 14.10
Cl- 0.01725 0.01725 679.4
Fe++ 0.004727 0.001586 98.41
H+ -0.0009867 0.001899 2.127
HCO3- 1.215e-13 1.215e-13 8.239e-09
HPO4-- 9.369e-12 9.369e-12 9.991e-07
K+ 2.293e-05 2.293e-05 0.9961
Mg++ 0.005591 0.005591 151.0
Mn++ 1.637e-11 1.637e-11 9.991e-07
NH3(aq) 0.001901 0.001901 35.97
Na+ 0.0003369 0.0003369 8.605
Ni++ 0.0002378 1.598e-07 0.01042
O2(aq) -0.02203 -0.01664 -591.7
SO4-- 0.002635 4.806e-08 0.005130
SiO2(aq) 0.005356 2.100e-05 1.402
In fluid Sorbed
Elemental composition total moles moles mg/kg moles mg/kg
-------------------------------------------------------------------------------------------------
Aluminum 0.0004661 6.566e-10 1.968e-05
Calcium 0.0003167 0.0003167 14.10
Carbon 1.215e-13 1.215e-13 1.622e-09
Chlorine 0.01725 0.01725 679.4
Hydrogen 99.89 99.89 1.119e+05
Iron 0.004727 0.001586 98.41
Magnesium 0.005591 0.005591 151.0
Manganese 1.637e-11 1.637e-11 9.991e-07
Nickel 0.0002378 1.598e-07 0.01042
Nitrogen 0.001901 0.001901 29.58
Oxygen 49.92 49.91 8.872e+05
Phosphorus 9.369e-12 9.369e-12 3.224e-07
Potassium 2.293e-05 2.293e-05 0.9961
Silicon 0.005356 2.100e-05 0.6553
Sodium 0.0003369 0.0003369 8.605
Sulfur 0.002635 4.806e-08 0.001712
Step # 15 Xi = 0.0150
Temperature = 0.0 C Pressure = 1.013 bar
pH = 8.007 log fO2 = -94.978
Eh = -0.4872 volts pe = -8.9897
Ionic strength = 0.027057 molal
Activity of water = 0.999339
Solvent mass = 0.89919 kg
Solution mass = 0.90007 kg
Mineral mass = 0.00095814 kg
Fluid density = 1.001 g/cm3
compressibility = 4.825e-05 /bar
expansivity = 8.007e-05 /C
viscosity = 0.018 poise
Chlorinity = 0.019181 molal
Dissolved solids = 987 mg/kg sol'n
Elect. conductivity = 2343.98 uS/cm (or umho/cm)
Hardness = 799.72 mg/kg sol'n as CaCO3
carbonate = 0.00 mg/kg sol'n as CaCO3
non-carbonate = 799.72 mg/kg sol'n as CaCO3
Carbonate alkalinity= 0.00 mg/kg sol'n as CaCO3
Water type = Mg-Cl
Bulk volume = 900. cm3
Fluid volume = 899. cm3
Mineral volume = 0.281 cm3
Inert volume = 0.00 cm3
Porosity = 100. %
Permeability = 97.6 cm2
Mass reacted = 1.81 g
moles moles grams cm3 rxn rate
Reactants remaining reacted reacted reacted (molal/sec)
---------------------------------------------------------------------------------------------------------
Al2O3 0.01913 0.0002913 0.02970 -- --
CH4(g) (fixed fug.) -0.01791 -0.2873 -- --
CO2(aq) 1.006 0.01532 0.6744 -- --
CaO 0.02600 0.0003959 0.02220 -- --
FeO 0.3880 0.005908 0.4245 0.07090 --
Formaldehyde(aq) 0.05900 0.0008984 0.02698 -- --
H2S(aq) 0.000 0.000 0.000 -- --
HCN(aq) 0.000 0.000 0.000 -- --
K2O 0.0009411 1.433e-05 0.001350 0.0005787 --
Methanol(aq) 0.1106 0.001684 0.05395 -- --
MgO 0.4590 0.006989 0.2817 -- --
MnO 0.000 0.000 0.000 -- --
N2(g) 0.000 0.000 0.000 -- --
NH3(aq) 0.1560 0.002376 0.04046 -- --
Na2O 0.01383 0.0002106 0.01305 0.005264 --
NiO 0.01952 0.0002972 0.02220 -- --
P2O5 0.000 0.000 0.000 -- --
S 0.2163 0.003293 0.1056 0.05108 --
SO2(g) 0.000 0.000 0.000 -- --
SO4-- 0.000 0.000 0.000 -- --
SiO2 0.4397 0.006696 0.4023 -- --
Minerals in system moles log moles grams volume (cm3)
-------------------------------------------------------------------------------------------
Kaolinite 0.0002812 -3.551 0.07259 0.02798
Minnesotaite 0.0008625 -3.064 0.4087 0.1275
Ni 0.0002972 -3.527 0.01744 0.001958
Pyrrhotite 0.003293 -2.482 0.2895 0.05993
Quartz 0.002438 -2.613 0.1465 0.05531
Saponite-Mg 6.114e-05 -4.214 0.02341 0.008173
_____________ _____________
(total) 0.9581 0.2809
Aqueous species molality mg/kg sol'n act. coef. log act.
------------------------------------------------------------------------------------------
H2(aq) 0.02181 43.92 1.0000 -1.6614
Cl- 0.01910 676.6 0.8531 -1.7879
Mg++ 0.007483 181.7 0.5935 -2.3525
NH4+ 0.002623 47.27 0.8499 -2.6518
Na+ 0.0004673 10.73 0.8592 -3.3963
Ca++ 0.0004392 17.59 0.5689 -3.6023
MgCl+ 7.519e-05 4.489 0.8592 -4.1898
K+ 3.187e-05 1.245 0.8531 -4.5656
Fe++ 3.094e-05 1.726 0.5689 -4.7545
SiO2(aq) 2.334e-05 1.401 1.0000 -4.6319
NH3(aq) 1.930e-05 0.3284 1.0000 -4.7144
CaCl+ 1.007e-06 0.07595 0.8592 -6.0631
NaCl(aq) 9.711e-07 0.05670 1.0000 -6.0127
FeCl+ 2.351e-07 0.02144 0.8592 -6.6947
HS- 1.515e-07 0.005004 0.8562 -6.8871
OH- 1.361e-07 0.002312 0.8562 -6.9335
HSiO3- 1.310e-07 0.01009 0.8592 -6.9487
H2S(aq) 3.328e-08 0.001133 1.0000 -7.4778
CaCl2(aq) 2.344e-08 0.002599 1.0000 -7.6300
H+ 1.115e-08 1.123e-05 0.8834 -8.0065
(only species > 1e-8 molal listed)
Mineral saturation states log Q/K log Q/K
-----------------------------------------------------------------------------------------------
Heazlewoodite 9.0407s/sat Saponite-Na -0.6775
Polydymite 2.4674s/sat Montmor-K -0.7367
Millerite 0.8732s/sat Montmor-Na -0.7786
Daphnite-14A 0.4320s/sat Annite -0.8408
Diaspore 0.2237s/sat Coesite -0.8796
Troilite 0.1079s/sat Maximum_Microcline -1.0924
Saponite-Mg 0.0000 sat Illite -1.0933
Minnesotaite 0.0000 sat K-Feldspar -1.0968
Kaolinite 0.0000 sat Cristobalite(beta) -1.1306
Quartz 0.0000 sat Saponite-H -1.1654
Pyrrhotite 0.0000 sat Beidellite-Mg -1.2407
Ni 0.0000 sat Beidellite-Ca -1.4356
Ice -0.0470 SiO2(am) -1.5079
Stilbite -0.0542 Ferrosilite -1.6385
Montmor-Mg -0.0977 Pyrophyllite -1.8789
Muscovite -0.1609 Beidellite-K -1.8799
Saponite-Ca -0.1981 Beidellite-Na -1.9152
Tridymite -0.2064 Ripidolite-14A -1.9354
Boehmite -0.2245 Scolecite -2.0432
Gibbsite -0.2378 Smectite-low-Fe-Mg -2.2127
Chalcedony -0.2960 Chamosite-7A -2.3864
Montmor-Ca -0.3718 Beidellite-H -2.4027
Celadonite -0.5233 Phlogopite -2.4267
Greenalite -0.6078 Sanidine_high -2.4693
Cristobalite(alpha) -0.6106 Chrysotile -2.7106
Saponite-K -0.6424 Pyrite -2.8180
Talc -0.6574 Smectite-high-Fe-Mg -2.8552
Mesolite -0.6610
(only minerals with log Q/K > -3 listed)
partial
Gases press. (bar) fugacity fug. coef. log fug.
-----------------------------------------------------------------------------------------
CH4(g) 100.2 100.0 0.9976 2.0000
H2(g) 22.25 22.27 1.001 1.3477
H2O(g) 0.005489 0.005026 0.9156 -2.2988
H2S(g) 1.545e-07 1.529e-07 0.9900 -6.8156
NH3(g) 8.270e-08 8.172e-08 0.9882 -7.0877
HCl(g) 5.369e-18 5.369e-18 1.000* -17.2701
N2(g) 3.544e-26 3.542e-26 0.9995 -25.4507
CO2(g) 4.429e-31 4.399e-31 0.9932 -30.3566
C2H4(g) 2.327e-32 2.327e-32 1.000* -31.6333
CO(g) 3.470e-33 3.470e-33 1.000* -32.4596
S2(g) 2.027e-45 2.027e-45 1.000* -44.6931
SO2(g) 1.018e-52 9.966e-53 0.9786 -52.0015
Na(g) 2.177e-60 2.177e-60 1.000* -59.6621
K(g) 3.655e-62 3.655e-62 1.000* -61.4372
Cl2(g) 5.859e-73 5.859e-73 1.000* -72.2322
NO(g) 2.548e-77 2.548e-77 1.000* -76.5938
Mg(g) 8.654e-95 8.654e-95 1.000* -94.0628
O2(g) 1.053e-95 1.052e-95 0.9990 -94.9780
NO2(g) 2.215e-117 2.215e-117 1.000* -116.6546
Ca(g) 1.351e-120 1.351e-120 1.000* -119.8695
Al(g) 1.396e-139 1.396e-139 1.000* -138.8550
C(g) 1.376e-140 1.376e-140 1.000* -139.8614
Si(g) 1.303e-148 1.303e-148 1.000* -147.8851
*no data, gas taken to be ideal
In fluid Sorbed
Original basis total moles moles mg/kg moles mg/kg
-------------------------------------------------------------------------------------------------
H2O 49.94 49.93 9.994e+05
Al+++ 0.0005826 2.609e-09 7.821e-05
Ca++ 0.0003959 0.0003959 17.63
Cl- 0.01725 0.01725 679.4
Fe++ 0.005908 2.803e-05 1.739
H+ -0.005545 0.002359 2.641
HCO3- 2.063e-13 2.063e-13 1.399e-08
HPO4-- 9.369e-12 9.369e-12 9.991e-07
K+ 2.866e-05 2.866e-05 1.245
Mg++ 0.006989 0.006796 183.5
Mn++ 1.637e-11 1.637e-11 9.991e-07
NH3(aq) 0.002376 0.002376 44.96
Na+ 0.0004211 0.0004211 10.76
Ni++ 0.0002972 4.795e-09 0.0003127
O2(aq) -0.01654 -0.009806 -348.6
SO4-- 0.003293 1.661e-07 0.01773
SiO2(aq) 0.006696 2.111e-05 1.409
In fluid Sorbed
Elemental composition total moles moles mg/kg moles mg/kg
-------------------------------------------------------------------------------------------------
Aluminum 0.0005826 2.609e-09 7.821e-05
Calcium 0.0003959 0.0003959 17.63
Carbon 2.063e-13 2.063e-13 2.753e-09
Chlorine 0.01725 0.01725 679.4
Hydrogen 99.88 99.87 1.118e+05
Iron 0.005908 2.803e-05 1.739
Magnesium 0.006989 0.006796 183.5
Manganese 1.637e-11 1.637e-11 9.991e-07
Nickel 0.0002972 4.795e-09 0.0003127
Nitrogen 0.002376 0.002376 36.98
Oxygen 49.93 49.91 8.872e+05
Phosphorus 9.369e-12 9.369e-12 3.224e-07
Potassium 2.866e-05 2.866e-05 1.245
Silicon 0.006696 2.111e-05 0.6586
Sodium 0.0004211 0.0004211 10.76
Sulfur 0.003293 1.661e-07 0.005918
Step # 17 Xi = 0.0170
Temperature = 0.0 C Pressure = 1.013 bar
pH = 8.013 log fO2 = -94.435
Eh = -0.4802 volts pe = -8.8606
Ionic strength = 0.026853 molal
Activity of water = 0.999339
Solvent mass = 0.89926 kg
Solution mass = 0.90013 kg
Mineral mass = 0.0011394 kg
Fluid density = 1.001 g/cm3
compressibility = 4.825e-05 /bar
expansivity = 8.007e-05 /C
viscosity = 0.018 poise
Chlorinity = 0.019180 molal
Dissolved solids = 970 mg/kg sol'n
Elect. conductivity = 2354.08 uS/cm (or umho/cm)
Hardness = 779.15 mg/kg sol'n as CaCO3
carbonate = 0.00 mg/kg sol'n as CaCO3
non-carbonate = 779.15 mg/kg sol'n as CaCO3
Carbonate alkalinity= 0.00 mg/kg sol'n as CaCO3
Water type = Mg-Cl
Bulk volume = 900. cm3
Fluid volume = 900. cm3
Mineral volume = 0.336 cm3
Inert volume = 0.00 cm3
Porosity = 100. %
Permeability = 97.4 cm2
Mass reacted = 2.05 g
moles moles grams cm3 rxn rate
Reactants remaining reacted reacted reacted (molal/sec)
---------------------------------------------------------------------------------------------------------
Al2O3 0.01909 0.0003301 0.03366 -- --
CH4(g) (fixed fug.) -0.02029 -0.3256 -- --
CO2(aq) 1.004 0.01737 0.7643 -- --
CaO 0.02594 0.0004487 0.02516 -- --
FeO 0.3872 0.006696 0.4811 0.08035 --
Formaldehyde(aq) 0.05888 0.001018 0.03057 -- --
H2S(aq) 0.000 0.000 0.000 -- --
HCN(aq) 0.000 0.000 0.000 -- --
K2O 0.0009392 1.624e-05 0.001530 0.0006559 --
Methanol(aq) 0.1103 0.001908 0.06115 -- --
MgO 0.4580 0.007921 0.3193 -- --
MnO 0.000 0.000 0.000 -- --
N2(g) 0.000 0.000 0.000 -- --
NH3(aq) 0.1557 0.002693 0.04586 -- --
Na2O 0.01380 0.0002386 0.01479 0.005966 --
NiO 0.01948 0.0003369 0.02516 -- --
P2O5 0.000 0.000 0.000 -- --
S 0.2158 0.003732 0.1197 0.05789 --
SO2(g) 0.000 0.000 0.000 -- --
SO4-- 0.000 0.000 0.000 -- --
SiO2 0.4388 0.007588 0.4559 -- --
Minerals in system moles log moles grams volume (cm3)
-------------------------------------------------------------------------------------------
Kaolinite 0.0002353 -3.628 0.06073 0.02341
Minnesotaite 0.0009790 -3.009 0.4639 0.1448
Ni 0.0003369 -3.473 0.01977 0.002219
Pyrrhotite 0.003732 -2.428 0.3281 0.06792
Quartz 0.001471 -2.832 0.08838 0.03337
Saponite-Mg 0.0004232 -3.373 0.1620 0.05656
Stilbite 2.298e-05 -4.639 0.01642 0.007663
_____________ _____________
(total) 1.139 0.3359
Aqueous species molality mg/kg sol'n act. coef. log act.
------------------------------------------------------------------------------------------
Cl- 0.01910 676.6 0.8535 -1.7876
H2(aq) 0.01167 23.50 1.0000 -1.9329
Mg++ 0.007246 175.9 0.5944 -2.3658
NH4+ 0.002972 53.56 0.8503 -2.5973
Na+ 0.0005261 12.08 0.8596 -3.3446
Ca++ 0.0004718 18.89 0.5698 -3.5705
MgCl+ 7.292e-05 4.353 0.8596 -4.2029
K+ 3.596e-05 1.405 0.8535 -4.5129
Fe++ 2.995e-05 1.671 0.5698 -4.7678
SiO2(aq) 2.334e-05 1.401 1.0000 -4.6319
NH3(aq) 2.222e-05 0.3781 1.0000 -4.6532
NaCl(aq) 1.094e-06 0.06390 1.0000 -5.9608
CaCl+ 1.083e-06 0.08172 0.8596 -6.0311
FeCl+ 2.280e-07 0.02080 0.8596 -6.7078
HS- 1.537e-07 0.005079 0.8566 -6.8805
OH- 1.381e-07 0.002347 0.8566 -6.9269
HSiO3- 1.329e-07 0.01024 0.8596 -6.9421
H2S(aq) 3.328e-08 0.001133 1.0000 -7.4778
CaCl2(aq) 2.524e-08 0.002799 1.0000 -7.5978
H+ 1.098e-08 1.105e-05 0.8837 -8.0132
(only species > 1e-8 molal listed)
Mineral saturation states log Q/K log Q/K
-----------------------------------------------------------------------------------------------
Heazlewoodite 9.5838s/sat Saponite-Na -0.6583
Polydymite 3.5536s/sat Montmor-K -0.7171
Millerite 1.1447s/sat Montmor-Na -0.7593
Daphnite-14A 0.4320s/sat Annite -0.7815
Diaspore 0.2237s/sat Coesite -0.8796
Troilite 0.1079s/sat Maximum_Microcline -1.0331
Kaolinite 0.0000 sat K-Feldspar -1.0375
Quartz 0.0000 sat Illite -1.0577
Pyrrhotite 0.0000 sat Cristobalite(beta) -1.1306
Saponite-Mg 0.0000 sat Saponite-H -1.1654
Ni 0.0000 sat Beidellite-Mg -1.2407
Minnesotaite 0.0000 sat Beidellite-Ca -1.4282
Stilbite 0.0000 sat SiO2(am) -1.5079
Ice -0.0470 Ferrosilite -1.6385
Montmor-Mg -0.0977 Beidellite-K -1.8603
Muscovite -0.1015 Pyrophyllite -1.8789
Saponite-Ca -0.1907 Beidellite-Na -1.8960
Tridymite -0.2064 Ripidolite-14A -1.9354
Boehmite -0.2245 Scolecite -1.9981
Gibbsite -0.2378 Smectite-low-Fe-Mg -2.1694
Chalcedony -0.2960 Phlogopite -2.3674
Montmor-Ca -0.3644 Chamosite-7A -2.3864
Celadonite -0.4640 Beidellite-H -2.4027
Mesolite -0.5919 Sanidine_high -2.4100
Greenalite -0.6078 Pyrite -2.5464
Cristobalite(alpha) -0.6106 Chrysotile -2.7106
Saponite-K -0.6228 Smectite-high-Fe-Mg -2.8092
Talc -0.6574
(only minerals with log Q/K > -3 listed)
partial
Gases press. (bar) fugacity fug. coef. log fug.
-----------------------------------------------------------------------------------------
CH4(g) 100.2 100.0 0.9976 2.0000
H2(g) 11.91 11.92 1.001 1.0762
H2O(g) 0.005489 0.005026 0.9156 -2.2988
H2S(g) 1.545e-07 1.529e-07 0.9900 -6.8156
NH3(g) 9.521e-08 9.408e-08 0.9882 -7.0265
HCl(g) 5.290e-18 5.290e-18 1.000* -17.2766
N2(g) 3.066e-25 3.064e-25 0.9995 -24.5137
CO2(g) 5.401e-30 5.365e-30 0.9932 -29.2704
C2H4(g) 8.125e-32 8.125e-32 1.000* -31.0902
CO(g) 2.265e-32 2.265e-32 1.000* -31.6450
S2(g) 7.080e-45 7.080e-45 1.000* -44.1500
SO2(g) 6.646e-52 6.504e-52 0.9786 -51.1868
Na(g) 1.822e-60 1.822e-60 1.000* -59.7395
K(g) 3.065e-62 3.065e-62 1.000* -61.5136
Cl2(g) 1.063e-72 1.063e-72 1.000* -71.9735
NO(g) 1.400e-76 1.400e-76 1.000* -75.8537
Mg(g) 4.631e-95 4.631e-95 1.000* -94.3343
O2(g) 3.678e-95 3.674e-95 0.9990 -94.4349
NO2(g) 2.275e-116 2.275e-116 1.000* -115.6430
Ca(g) 8.018e-121 8.018e-121 1.000* -120.0959
Al(g) 5.466e-140 5.466e-140 1.000* -139.2623
C(g) 4.805e-140 4.805e-140 1.000* -139.3183
Si(g) 3.730e-149 3.730e-149 1.000* -148.4282
*no data, gas taken to be ideal
In fluid Sorbed
Original basis total moles moles mg/kg moles mg/kg
-------------------------------------------------------------------------------------------------
H2O 49.93 49.93 9.992e+05
Al+++ 0.0006603 2.645e-09 7.927e-05
Ca++ 0.0004487 0.0004253 18.93
Cl- 0.01725 0.01725 679.3
Fe++ 0.006696 2.714e-05 1.684
H+ -0.008584 0.002673 2.993
HCO3- 3.856e-13 3.856e-13 2.614e-08
HPO4-- 9.369e-12 9.369e-12 9.990e-07
K+ 3.249e-05 3.235e-05 1.405
Mg++ 0.007921 0.006582 177.7
Mn++ 1.637e-11 1.637e-11 9.990e-07
NH3(aq) 0.002693 0.002693 50.95
Na+ 0.0004773 0.0004741 12.11
Ni++ 0.0003369 8.677e-09 0.0005657
O2(aq) -0.01288 -0.005248 -186.6
SO4-- 0.003732 1.682e-07 0.01795
SiO2(aq) 0.007588 2.111e-05 1.409
In fluid Sorbed
Elemental composition total moles moles mg/kg moles mg/kg
-------------------------------------------------------------------------------------------------
Aluminum 0.0006603 2.645e-09 7.927e-05
Calcium 0.0004487 0.0004253 18.93
Carbon 3.856e-13 3.856e-13 5.145e-09
Chlorine 0.01725 0.01725 679.3
Hydrogen 99.87 99.87 1.118e+05
Iron 0.006696 2.714e-05 1.684
Magnesium 0.007921 0.006582 177.7
Manganese 1.637e-11 1.637e-11 9.990e-07
Nickel 0.0003369 8.677e-09 0.0005657
Nitrogen 0.002693 0.002693 41.90
Oxygen 49.94 49.92 8.872e+05
Phosphorus 9.369e-12 9.369e-12 3.224e-07
Potassium 3.249e-05 3.235e-05 1.405
Silicon 0.007588 2.111e-05 0.6587
Sodium 0.0004773 0.0004741 12.11
Sulfur 0.003732 1.682e-07 0.005991
Step # 20 Xi = 0.0196
Temperature = 0.0 C Pressure = 1.013 bar
pH = 8.019 log fO2 = -81.795
Eh = -0.3093 volts pe = -5.7067
Ionic strength = 0.026977 molal
Activity of water = 0.999339
Solvent mass = 0.89934 kg
Solution mass = 0.90021 kg
Mineral mass = 0.0013812 kg
Fluid density = 1.001 g/cm3
compressibility = 4.825e-05 /bar
expansivity = 8.007e-05 /C
viscosity = 0.018 poise
Chlorinity = 0.019178 molal
Dissolved solids = 971 mg/kg sol'n
Elect. conductivity = 2386.50 uS/cm (or umho/cm)
Hardness = 766.17 mg/kg sol'n as CaCO3
carbonate = 14.06 mg/kg sol'n as CaCO3
non-carbonate = 752.11 mg/kg sol'n as CaCO3
Carbonate alkalinity= 14.06 mg/kg sol'n as CaCO3
Water type = Mg-Cl
Bulk volume = 900. cm3
Fluid volume = 900. cm3
Mineral volume = 0.412 cm3
Inert volume = 0.00 cm3
Porosity = 100. %
Permeability = 97.1 cm2
Mass reacted = 2.37 g
moles moles grams cm3 rxn rate
Reactants remaining reacted reacted reacted (molal/sec)
---------------------------------------------------------------------------------------------------------
Al2O3 0.01904 0.0003809 0.03884 -- --
CH4(g) (fixed fug.) -0.02316 -0.3715 -- --
CO2(aq) 1.002 0.02004 0.8819 -- --
CaO 0.02587 0.0005177 0.02903 -- --
FeO 0.3862 0.007726 0.5551 0.09272 --
Formaldehyde(aq) 0.05872 0.001175 0.03528 -- --
H2S(aq) 0.000 0.000 0.000 -- --
HCN(aq) 0.000 0.000 0.000 -- --
K2O 0.0009367 1.874e-05 0.001765 0.0007568 --
Methanol(aq) 0.1101 0.002202 0.07055 -- --
MgO 0.4568 0.009140 0.3684 -- --
MnO 0.000 0.000 0.000 -- --
N2(g) 0.000 0.000 0.000 -- --
NH3(aq) 0.1553 0.003107 0.05291 -- --
Na2O 0.01376 0.0002753 0.01707 0.006883 --
NiO 0.01943 0.0003887 0.02903 -- --
P2O5 0.000 0.000 0.000 -- --
S 0.2152 0.004306 0.1381 0.06680 --
SO2(g) 0.000 0.000 0.000 -- --
SO4-- 0.000 0.000 0.000 -- --
SiO2 0.4376 0.008756 0.5261 -- --
Minerals in system moles log moles grams volume (cm3)
-------------------------------------------------------------------------------------------
Kaolinite 0.0001387 -3.858 0.03581 0.01381
Minnesotaite 0.001131 -2.946 0.5360 0.1672
Ni2SiO4 0.0001923 -3.716 0.04028 0.008194
Pyrrhotite 0.004306 -2.366 0.3786 0.07837
Saponite-Mg 0.0008436 -3.074 0.3230 0.1128
Stilbite 9.448e-05 -4.025 0.06751 0.03151
_____________ _____________
(total) 1.381 0.4119
Aqueous species molality mg/kg sol'n act. coef. log act.
------------------------------------------------------------------------------------------
Cl- 0.01910 676.6 0.8533 -1.7878
Mg++ 0.007107 172.6 0.5939 -2.3746
NH4+ 0.003429 61.79 0.8501 -2.5354
Na+ 0.0005965 13.70 0.8594 -3.2902
Ca++ 0.0004664 18.68 0.5692 -3.5759
HCO3- 0.0002620 15.97 0.8594 -3.6476
MgCl+ 7.145e-05 4.266 0.8594 -4.2118
K+ 4.104e-05 1.603 0.8533 -4.4557
Fe++ 2.945e-05 1.643 0.5692 -4.7757
NH3(aq) 2.599e-05 0.4423 1.0000 -4.5851
SiO2(aq) 2.316e-05 1.390 1.0000 -4.6353
MgHCO3+ 1.329e-05 1.133 0.8594 -4.9424
CO2(aq) 8.198e-06 0.3604 1.0000 -5.0863
Ni++ 4.534e-06 0.2658 0.5692 -5.5882
MgCO3(aq) 1.808e-06 0.1523 1.0000 -5.7427
NaCl(aq) 1.240e-06 0.07239 1.0000 -5.9066
CaCl+ 1.070e-06 0.08071 0.8594 -6.0366
CO3-- 1.019e-06 0.06110 0.5488 -6.2523
CaHCO3+ 8.658e-07 0.08744 0.8594 -6.1284
Ethane(aq) 4.480e-07 0.01346 1.0000 -6.3487
NaHCO3(aq) 2.726e-07 0.02288 1.0000 -6.5644
FeCl+ 2.239e-07 0.02042 0.8594 -6.7158
CaCO3(aq) 1.967e-07 0.01967 1.0000 -6.7062
HS- 1.544e-07 0.005100 0.8564 -6.8788
OH- 1.402e-07 0.002381 0.8564 -6.9207
HSiO3- 1.338e-07 0.01031 0.8594 -6.9393
Acetate 1.245e-07 0.007346 0.8622 -6.9691
H2S(aq) 3.294e-08 0.001122 1.0000 -7.4823
CaCl2(aq) 2.492e-08 0.002763 1.0000 -7.6035
MgCH3COO+ 1.665e-08 0.001387 0.8594 -7.8443
KCl(aq) 1.114e-08 0.0008295 1.0000 -7.9532
H+ 1.082e-08 1.090e-05 0.8835 -8.0194
(only species > 1e-8 molal listed)
Mineral saturation states log Q/K log Q/K
-----------------------------------------------------------------------------------------------
Polydymite 17.9089s/sat Siderite -0.6953
Heazlewoodite 11.3079s/sat Montmor-K -0.7029
Vaesite 5.0685s/sat Annite -0.7113
Millerite 3.8246s/sat Montmor-Na -0.7461
Pyrite 3.7691s/sat Coesite -0.8830
C 2.4089s/sat Magnesite -0.9762
Daphnite-14A 0.4512s/sat Maximum_Microcline -0.9765
Diaspore 0.2271s/sat K-Feldspar -0.9809
Troilite 0.1079s/sat Illite -1.0229
Pyrrhotite 0.0000 sat Cristobalite(beta) -1.1340
Ni2SiO4 0.0000 sat Saponite-H -1.1660
Kaolinite 0.0000 sat Nontronite-H -1.1864
Saponite-Mg 0.0000 sat Beidellite-Mg -1.2447
Stilbite 0.0000 sat Goethite -1.3571
Minnesotaite 0.0000 sat Calcite -1.4298
Quartz -0.0034 Beidellite-Ca -1.4316
Nontronite-Mg -0.0226 SiO2(am) -1.5113
Muscovite -0.0381 Aragonite -1.5756
Ice -0.0470 Ferrosilite -1.6374
Montmor-Mg -0.1038 Smectite-low-Fe-Mg -1.6451
Saponite-Ca -0.1901 Hematite -1.8046
Nontronite-Ca -0.2097 Cronstedtite-7A -1.8085
Tridymite -0.2098 Beidellite-K -1.8439
Boehmite -0.2211 Beidellite-Na -1.8805
Gibbsite -0.2345 Pyrophyllite -1.8857
Chalcedony -0.2994 Ripidolite-14A -1.9190
Montmor-Ca -0.3699 Scolecite -1.9945
Celadonite -0.4072 Smectite-high-Fe-Mg -2.1587
Mesolite -0.5499 Monohydrocalcite -2.2157
Greenalite -0.6010 Magnetite -2.2996
Saponite-K -0.6025 Phlogopite -2.3001
Dolomite-ord -0.6132 Sanidine_high -2.3534
Dolomite -0.6133 Dolomite-dis -2.3539
Cristobalite(alpha) -0.6140 Chamosite-7A -2.3740
Nontronite-K -0.6223 Beidellite-H -2.4072
Saponite-Na -0.6389 Trevorite -2.4352
Nontronite-Na -0.6585 Chrysotile -2.7066
Talc -0.6602
(only minerals with log Q/K > -3 listed)
partial
Gases press. (bar) fugacity fug. coef. log fug.
-----------------------------------------------------------------------------------------
CH4(g) 100.2 100.0 0.9976 2.0000
H2O(g) 0.005489 0.005026 0.9156 -2.2988
CO2(g) 0.0001030 0.0001023 0.9932 -3.9902
H2(g) 5.699e-06 5.703e-06 1.001 -5.2439
N2(g) 3.827e-06 3.825e-06 0.9995 -5.4173
H2S(g) 1.529e-07 1.513e-07 0.9900 -6.8201
NH3(g) 1.114e-07 1.100e-07 0.9882 -6.9584
CO(g) 2.066e-13 2.066e-13 1.000* -12.6848
HCl(g) 5.214e-18 5.214e-18 1.000* -17.2829
C2H4(g) 3.548e-19 3.548e-19 1.000* -18.4501
S2(g) 3.028e-32 3.028e-32 1.000* -31.5189
SO2(g) 6.001e-33 5.873e-33 0.9786 -32.2312
NO(g) 1.034e-60 1.034e-60 1.000* -59.9855
Na(g) 1.449e-63 1.449e-63 1.000* -62.8390
K(g) 2.453e-65 2.453e-65 1.000* -64.6102
Cl2(g) 2.157e-66 2.157e-66 1.000* -65.6661
O2(g) 1.606e-82 1.604e-82 0.9990 -81.7947
NO2(g) 3.510e-94 3.510e-94 1.000* -93.4547
Mg(g) 2.235e-101 2.235e-101 1.000* -100.6508
Ca(g) 3.899e-127 3.899e-127 1.000* -126.4090
C(g) 2.098e-127 2.098e-127 1.000* -126.6782
Al(g) 1.824e-149 1.824e-149 1.000* -148.7391
Si(g) 8.477e-162 8.477e-162 1.000* -161.0718
*no data, gas taken to be ideal
In fluid Sorbed
Original basis total moles moles mg/kg moles mg/kg
-------------------------------------------------------------------------------------------------
H2O 49.93 49.92 9.990e+05
Al+++ 0.0007618 2.701e-09 8.095e-05
Ca++ 0.0005177 0.0004214 18.76
Cl- 0.01725 0.01725 679.3
Fe++ 0.007726 2.668e-05 1.655
H+ -0.01230 0.003089 3.459
HCO3- 0.0002597 0.0002597 17.60
HPO4-- 9.369e-12 9.369e-12 9.989e-07
K+ 3.748e-05 3.692e-05 1.603
Mg++ 0.009140 0.006470 174.7
Mn++ 1.637e-11 1.637e-11 9.989e-07
NH3(aq) 0.003107 0.003107 58.78
Na+ 0.0005507 0.0005378 13.74
Ni++ 0.0003887 4.082e-06 0.2662
O2(aq) -0.008615 -2.004e-06 -0.07123
SO4-- 0.004306 1.684e-07 0.01797
SiO2(aq) 0.008756 2.095e-05 1.398
In fluid Sorbed
Elemental composition total moles moles mg/kg moles mg/kg
-------------------------------------------------------------------------------------------------
Aluminum 0.0007618 2.701e-09 8.095e-05
Calcium 0.0005177 0.0004214 18.76
Carbon 0.0002597 0.0002597 3.465
Chlorine 0.01725 0.01725 679.3
Hydrogen 99.86 99.85 1.118e+05
Iron 0.007726 2.668e-05 1.655
Magnesium 0.009140 0.006470 174.7
Manganese 1.637e-11 1.637e-11 9.989e-07
Nickel 0.0003887 4.082e-06 0.2662
Nitrogen 0.003107 0.003107 48.34
Oxygen 49.95 49.92 8.873e+05
Phosphorus 9.369e-12 9.369e-12 3.224e-07
Potassium 3.748e-05 3.692e-05 1.603
Silicon 0.008756 2.095e-05 0.6537
Sodium 0.0005507 0.0005378 13.74
Sulfur 0.004306 1.684e-07 0.006000
Step # 21 Xi = 0.0202
Temperature = 0.0 C Pressure = 1.013 bar
pH = 8.057 log fO2 = -81.676
Eh = -0.3097 volts pe = -5.7147
Ionic strength = 0.027252 molal
Activity of water = 0.999339
Solvent mass = 0.89934 kg
Solution mass = 0.90023 kg
Mineral mass = 0.0014471 kg
Fluid density = 1.001 g/cm3
compressibility = 4.825e-05 /bar
expansivity = 8.007e-05 /C
viscosity = 0.018 poise
Chlorinity = 0.019178 molal
Dissolved solids = 990 mg/kg sol'n
Elect. conductivity = 2406.98 uS/cm (or umho/cm)
Hardness = 771.56 mg/kg sol'n as CaCO3
carbonate = 26.51 mg/kg sol'n as CaCO3
non-carbonate = 745.05 mg/kg sol'n as CaCO3
Carbonate alkalinity= 26.51 mg/kg sol'n as CaCO3
Water type = Mg-Cl
Bulk volume = 900. cm3
Fluid volume = 900. cm3
Mineral volume = 0.419 cm3
Inert volume = 0.00 cm3
Porosity = 100. %
Permeability = 97.1 cm2
Mass reacted = 2.45 g
moles moles grams cm3 rxn rate
Reactants remaining reacted reacted reacted (molal/sec)
---------------------------------------------------------------------------------------------------------
Al2O3 0.01903 0.0003929 0.04006 -- --
CH4(g) (fixed fug.) -0.02341 -0.3756 -- --
CO2(aq) 1.001 0.02067 0.9096 -- --
CaO 0.02586 0.0005339 0.02994 -- --
FeO 0.3859 0.007969 0.5725 0.09562 --
Formaldehyde(aq) 0.05868 0.001212 0.03638 -- --
H2S(aq) 0.000 0.000 0.000 -- --
HCN(aq) 0.000 0.000 0.000 -- --
K2O 0.0009361 1.933e-05 0.001821 0.0007805 --
Methanol(aq) 0.1100 0.002271 0.07277 -- --
MgO 0.4565 0.009426 0.3799 -- --
MnO 0.000 0.000 0.000 -- --
N2(g) 0.000 0.000 0.000 -- --
NH3(aq) 0.1552 0.003205 0.05457 -- --
Na2O 0.01375 0.0002840 0.01760 0.007099 --
NiO 0.01941 0.0004009 0.02994 -- --
P2O5 0.000 0.000 0.000 -- --
S 0.2151 0.004441 0.1424 0.06889 --
SO2(g) 0.000 0.000 0.000 -- --
SO4-- 0.000 0.000 0.000 -- --
SiO2 0.4373 0.009030 0.5426 -- --
Minerals in system moles log moles grams volume (cm3)
-------------------------------------------------------------------------------------------
Dolomite-ord 0.0001248 -3.904 0.02301 0.008030
Kaolinite 0.0001110 -3.955 0.02865 0.01104
Minnesotaite 0.0005805 -3.236 0.2751 0.08584
Ni2SiO4 0.0001986 -3.702 0.04159 0.008461
Nontronite-Mg 0.0008787 -3.056 0.3705 0.1140
Pyrrhotite 0.004441 -2.352 0.3904 0.08083
Saponite-Mg 0.0008297 -3.081 0.3177 0.1109
_____________ _____________
(total) 1.447 0.4191
Aqueous species molality mg/kg sol'n act. coef. log act.
------------------------------------------------------------------------------------------
Cl- 0.01910 676.6 0.8527 -1.7881
Mg++ 0.007161 173.9 0.5928 -2.3722
NH4+ 0.003534 63.68 0.8494 -2.5226
Na+ 0.0006297 14.46 0.8588 -3.2670
HCO3- 0.0004938 30.10 0.8588 -3.3725
Ca++ 0.0004519 18.09 0.5680 -3.5906
MgCl+ 7.185e-05 4.290 0.8588 -4.2096
K+ 4.297e-05 1.679 0.8527 -4.4360
Fe++ 3.111e-05 1.736 0.5680 -4.7527
NH3(aq) 2.920e-05 0.4967 1.0000 -4.5347
MgHCO3+ 2.519e-05 2.147 0.8588 -4.6649
SiO2(aq) 1.955e-05 1.173 1.0000 -4.7089
CO2(aq) 1.416e-05 0.6227 1.0000 -4.8488
Ni++ 4.159e-06 0.2438 0.5680 -5.6267
MgCO3(aq) 3.736e-06 0.3147 1.0000 -5.4276
CO3-- 2.099e-06 0.1258 0.5475 -5.9396
CaHCO3+ 1.578e-06 0.1593 0.8588 -5.8680
NaCl(aq) 1.307e-06 0.07632 1.0000 -5.8837
CaCl+ 1.034e-06 0.07801 0.8588 -6.0516
NaHCO3(aq) 5.419e-07 0.04547 1.0000 -6.2661
Ethane(aq) 5.136e-07 0.01543 1.0000 -6.2894
CaCO3(aq) 3.906e-07 0.03906 1.0000 -6.4082
FeCl+ 2.360e-07 0.02153 0.8588 -6.6931
Acetate 2.348e-07 0.01385 0.8617 -6.6940
OH- 1.529e-07 0.002599 0.8558 -6.8831
HS- 1.344e-07 0.004439 0.8558 -6.9394
HSiO3- 1.233e-07 0.009492 0.8588 -6.9753
MgCH3COO+ 3.157e-08 0.002629 0.8588 -7.5668
H2S(aq) 2.627e-08 0.0008946 1.0000 -7.5805
CaCl2(aq) 2.405e-08 0.002667 1.0000 -7.6188
KCl(aq) 1.165e-08 0.0008674 1.0000 -7.9338
(only species > 1e-8 molal listed)
Mineral saturation states log Q/K log Q/K
-----------------------------------------------------------------------------------------------
Polydymite 17.6860s/sat Cristobalite(alpha) -0.6876
Heazlewoodite 11.1627s/sat Talc -0.7216
Vaesite 4.9683s/sat Montmor-K -0.8299
Millerite 3.7633s/sat Montmor-Na -0.8719
Pyrite 3.7303s/sat Coesite -0.9566
C 2.5277s/sat Illite -1.0574
Daphnite-14A 0.8685s/sat Maximum_Microcline -1.0664
Diaspore 0.3008s/sat K-Feldspar -1.0708
Troilite 0.1079s/sat Calcite -1.1318
Muscovite 0.0192s/sat Nontronite-H -1.1766
Pyrrhotite 0.0000 sat Saponite-H -1.1788
Saponite-Mg 0.0000 sat Cristobalite(beta) -1.2076
Minnesotaite 0.0000 sat Goethite -1.2292
Nontronite-Mg 0.0000 sat Aragonite -1.2776
Ni2SiO4 0.0000 sat Beidellite-Mg -1.3305
Dolomite-ord 0.0000 sat Cronstedtite-7A -1.4301
Kaolinite 0.0000 sat Beidellite-Ca -1.5203
Dolomite -0.0001 Hematite -1.5489
Ice -0.0470 Ripidolite-14A -1.5632
Quartz -0.0770 SiO2(am) -1.5849
Boehmite -0.1474 Ferrosilite -1.6128
Gibbsite -0.1608 Smectite-low-Fe-Mg -1.6886
Nontronite-Ca -0.1899 Dolomite-dis -1.7407
Saponite-Ca -0.1929 Monohydrocalcite -1.9177
Montmor-Mg -0.2369 Beidellite-K -1.9237
Stilbite -0.2714 Magnetite -1.9457
Tridymite -0.2834 Beidellite-Na -1.9591
Siderite -0.3596 Scolecite -2.0076
Chalcedony -0.3730 Pyrophyllite -2.0330
Greenalite -0.4537 Chamosite-7A -2.1040
Celadonite -0.4930 Smectite-high-Fe-Mg -2.1413
Montmor-Ca -0.5059 Trevorite -2.1427
Annite -0.5067 Phlogopite -2.1569
Mesolite -0.5440 Sanidine_high -2.4433
Nontronite-K -0.5936 Beidellite-H -2.5059
Saponite-K -0.5964 Chrysotile -2.6208
Nontronite-Na -0.6286 Daphnite-7A -2.7460
Saponite-Na -0.6316 Dawsonite -2.9887
Magnesite -0.6611
(only minerals with log Q/K > -3 listed)
partial
Gases press. (bar) fugacity fug. coef. log fug.
-----------------------------------------------------------------------------------------
CH4(g) 100.2 100.0 0.9976 2.0000
H2O(g) 0.005489 0.005026 0.9156 -2.2988
CO2(g) 0.0001779 0.0001767 0.9932 -3.7527
N2(g) 7.275e-06 7.271e-06 0.9995 -5.1384
H2(g) 4.971e-06 4.975e-06 1.001 -5.3032
NH3(g) 1.251e-07 1.236e-07 0.9882 -6.9080
H2S(g) 1.219e-07 1.207e-07 0.9900 -6.9183
CO(g) 3.114e-13 3.114e-13 1.000* -12.5067
HCl(g) 4.778e-18 4.778e-18 1.000* -17.3208
C2H4(g) 4.663e-19 4.663e-19 1.000* -18.3313
S2(g) 2.532e-32 2.532e-32 1.000* -31.5965
SO2(g) 7.213e-33 7.059e-33 0.9786 -32.1513
NO(g) 1.634e-60 1.634e-60 1.000* -59.7866
Na(g) 1.556e-63 1.556e-63 1.000* -62.8079
K(g) 2.615e-65 2.615e-65 1.000* -64.5826
Cl2(g) 2.077e-66 2.077e-66 1.000* -65.6826
O2(g) 2.111e-82 2.109e-82 0.9990 -81.6760
NO2(g) 6.361e-94 6.361e-94 1.000* -93.1965
Mg(g) 2.331e-101 2.331e-101 1.000* -100.6325
Ca(g) 3.910e-127 3.910e-127 1.000* -126.4078
C(g) 2.758e-127 2.758e-127 1.000* -126.5594
Al(g) 1.760e-149 1.760e-149 1.000* -148.7545
Si(g) 5.444e-162 5.444e-162 1.000* -161.2641
*no data, gas taken to be ideal
In fluid Sorbed
Original basis total moles moles mg/kg moles mg/kg
-------------------------------------------------------------------------------------------------
H2O 49.93 49.92 9.990e+05
Al+++ 0.0007857 3.463e-09 0.0001038
Ca++ 0.0005339 0.0004091 18.21
Cl- 0.01725 0.01725 679.2
Fe++ 0.007969 2.819e-05 1.749
H+ -0.01275 0.003186 3.568
HCO3- 0.0007381 0.0004884 33.11
HPO4-- 9.369e-12 9.369e-12 9.989e-07
K+ 3.866e-05 3.866e-05 1.679
Mg++ 0.009426 0.006531 176.3
Mn++ 1.637e-11 1.637e-11 9.989e-07
NH3(aq) 0.003205 0.003205 60.62
Na+ 0.0005679 0.0005679 14.50
Ni++ 0.0004009 3.745e-06 0.2441
O2(aq) -0.008446 -2.387e-06 -0.08483
SO4-- 0.004441 1.445e-07 0.01542
SiO2(aq) 0.009030 1.769e-05 1.181
In fluid Sorbed
Elemental composition total moles moles mg/kg moles mg/kg
-------------------------------------------------------------------------------------------------
Aluminum 0.0007857 3.463e-09 0.0001038
Calcium 0.0005339 0.0004091 18.21
Carbon 0.0007381 0.0004884 6.517
Chlorine 0.01725 0.01725 679.2
Hydrogen 99.86 99.86 1.118e+05
Iron 0.007969 2.819e-05 1.749
Magnesium 0.009426 0.006531 176.3
Manganese 1.637e-11 1.637e-11 9.989e-07
Nickel 0.0004009 3.745e-06 0.2441
Nitrogen 0.003205 0.003205 49.86
Oxygen 49.95 49.92 8.873e+05
Phosphorus 9.369e-12 9.369e-12 3.224e-07
Potassium 3.866e-05 3.866e-05 1.679
Silicon 0.009030 1.769e-05 0.5520
Sodium 0.0005679 0.0005679 14.50
Sulfur 0.004441 1.445e-07 0.005146
Step # 23 Xi = 0.0214
Temperature = 0.0 C Pressure = 1.013 bar
pH = 8.102 log fO2 = -81.568
Eh = -0.3107 volts pe = -5.7331
Ionic strength = 0.027738 molal
Activity of water = 0.999339
Solvent mass = 0.89933 kg
Solution mass = 0.90024 kg
Mineral mass = 0.0015884 kg
Fluid density = 1.001 g/cm3
compressibility = 4.825e-05 /bar
expansivity = 8.006e-05 /C
viscosity = 0.018 poise
Chlorinity = 0.019178 molal
Dissolved solids = 1019 mg/kg sol'n
Elect. conductivity = 2442.97 uS/cm (or umho/cm)
Hardness = 781.49 mg/kg sol'n as CaCO3
carbonate = 48.48 mg/kg sol'n as CaCO3
non-carbonate = 733.02 mg/kg sol'n as CaCO3
Carbonate alkalinity= 48.48 mg/kg sol'n as CaCO3
Water type = Mg-Cl
Bulk volume = 900. cm3
Fluid volume = 900. cm3
Mineral volume = 0.458 cm3
Inert volume = 0.00 cm3
Porosity = 99.9 %
Permeability = 97.0 cm2
Mass reacted = 2.61 g
moles moles grams cm3 rxn rate
Reactants remaining reacted reacted reacted (molal/sec)
---------------------------------------------------------------------------------------------------------
Al2O3 0.01900 0.0004153 0.04234 -- --
CH4(g) (fixed fug.) -0.02369 -0.3801 -- --
CO2(aq) 0.9998 0.02185 0.9615 -- --
CaO 0.02583 0.0005644 0.03165 -- --
FeO 0.3855 0.008423 0.6052 0.1011 --
Formaldehyde(aq) 0.05861 0.001281 0.03846 -- --
H2S(aq) 0.000 0.000 0.000 -- --
HCN(aq) 0.000 0.000 0.000 -- --
K2O 0.0009350 2.043e-05 0.001925 0.0008250 --
Methanol(aq) 0.1099 0.002401 0.07692 -- --
MgO 0.4560 0.009964 0.4016 -- --
MnO 0.000 0.000 0.000 -- --
N2(g) 0.000 0.000 0.000 -- --
NH3(aq) 0.1550 0.003387 0.05769 -- --
Na2O 0.01374 0.0003002 0.01860 0.007504 --
NiO 0.01939 0.0004237 0.03165 -- --
P2O5 0.000 0.000 0.000 -- --
S 0.2149 0.004695 0.1505 0.07282 --
SO2(g) 0.000 0.000 0.000 -- --
SO4-- 0.000 0.000 0.000 -- --
SiO2 0.4368 0.009545 0.5735 -- --
Minerals in system moles log moles grams volume (cm3)
-------------------------------------------------------------------------------------------
Dolomite-ord 0.0004691 -3.329 0.08650 0.03018
Kaolinite 1.029e-05 -4.988 0.002656 0.001024
Minnesotaite 7.330e-05 -4.135 0.03474 0.01084
Ni2SiO4 0.0002101 -3.677 0.04402 0.008954
Nontronite-Mg 0.001736 -2.761 0.7319 0.2252
Pyrrhotite 0.004695 -2.328 0.4127 0.08544
Saponite-Mg 0.0007188 -3.143 0.2752 0.09607
Siderite 5.257e-06 -5.279 0.0006090 0.0001544
_____________ _____________
(total) 1.588 0.4579
Aqueous species molality mg/kg sol'n act. coef. log act.
------------------------------------------------------------------------------------------
Cl- 0.01910 676.5 0.8517 -1.7887
Mg++ 0.007578 184.0 0.5909 -2.3490
NH4+ 0.003732 67.26 0.8484 -2.4994
HCO3- 0.0009018 54.97 0.8579 -3.1115
Na+ 0.0006651 15.28 0.8579 -3.2437
Ca++ 0.0001049 4.198 0.5659 -4.2267
MgCl+ 7.578e-05 4.524 0.8579 -4.1870
MgHCO3+ 4.852e-05 4.136 0.8579 -4.3806
K+ 4.543e-05 1.774 0.8517 -4.4124
Fe++ 3.530e-05 1.969 0.5659 -4.6995
NH3(aq) 3.419e-05 0.5816 1.0000 -4.4661
CO2(aq) 2.327e-05 1.023 1.0000 -4.6332
SiO2(aq) 1.524e-05 0.9150 1.0000 -4.8169
MgCO3(aq) 7.981e-06 0.6722 1.0000 -5.0979
CO3-- 4.269e-06 0.2559 0.5451 -5.6332
Ni++ 3.835e-06 0.2249 0.5659 -5.6635
NaCl(aq) 1.377e-06 0.08042 1.0000 -5.8609
NaHCO3(aq) 1.043e-06 0.08752 1.0000 -5.9817
CaHCO3+ 6.661e-07 0.06727 0.8579 -6.2431
Ethane(aq) 5.815e-07 0.01747 1.0000 -6.2355
Acetate 4.287e-07 0.02528 0.8608 -6.4330
FeCl+ 2.667e-07 0.02433 0.8579 -6.6405
CaCl+ 2.390e-07 0.01803 0.8579 -6.6883
CaCO3(aq) 1.829e-07 0.01828 1.0000 -6.7379
OH- 1.700e-07 0.002888 0.8549 -6.8377
HS- 1.072e-07 0.003541 0.8549 -7.0380
HSiO3- 1.068e-07 0.008227 0.8579 -7.0379
MgCH3COO+ 6.082e-08 0.005064 0.8579 -7.2826
H2S(aq) 1.886e-08 0.0006421 1.0000 -7.7245
N2(aq) 1.540e-08 0.0004309 1.0000 -7.8125
Formate 1.367e-08 0.0006149 0.8549 -7.9322
KCl(aq) 1.228e-08 0.0009146 1.0000 -7.9108
(only species > 1e-8 molal listed)
Mineral saturation states log Q/K log Q/K
-----------------------------------------------------------------------------------------------
Polydymite 17.3259s/sat Cronstedtite-7A -0.9082
Heazlewoodite 10.9827s/sat Mesolite -0.9660
Vaesite 4.7883s/sat Montmor-K -1.0212
Millerite 3.6733s/sat Ripidolite-14A -1.0413
Pyrite 3.6402s/sat Goethite -1.0583
C 2.6355s/sat Montmor-Na -1.0633
Daphnite-14A 1.4805s/sat Coesite -1.0646
Diaspore 0.4088s/sat Illite -1.1171
Troilite 0.1079s/sat Nontronite-H -1.1954
Muscovite 0.0882s/sat Saponite-H -1.1976
Dolomite-ord 0.0000 sat Hematite -1.2070
Ni2SiO4 0.0000 sat Maximum_Microcline -1.2134
Kaolinite 0.0000 sat K-Feldspar -1.2178
Pyrrhotite 0.0000 sat Cristobalite(beta) -1.3156
Minnesotaite 0.0000 sat Stilbite -1.3183
Nontronite-Mg 0.0000 sat Beidellite-Mg -1.4564
Siderite 0.0000 sat Magnetite -1.4598
Saponite-Mg 0.0000 sat Calcite -1.4615
Dolomite -0.0001 Ferrosilite -1.5768
Boehmite -0.0394 Aragonite -1.6073
Ice -0.0470 SiO2(am) -1.6929
Gibbsite -0.0528 Chamosite-7A -1.7080
Quartz -0.1850 Dolomite-dis -1.7407
Annite -0.2217 Trevorite -1.7468
Greenalite -0.2377 Beidellite-Ca -1.7549
Nontronite-Ca -0.2987 Smectite-low-Fe-Mg -1.7737
Saponite-Ca -0.3017 Phlogopite -1.9620
Magnesite -0.3314 Beidellite-K -2.0456
Tridymite -0.3914 Beidellite-Na -2.0812
Montmor-Mg -0.4321 Daphnite-7A -2.1340
Chalcedony -0.4810 Smectite-high-Fe-Mg -2.1400
Nontronite-K -0.5896 Monohydrocalcite -2.2473
Saponite-K -0.5924 Pyrophyllite -2.2490
Nontronite-Na -0.6247 Chrysotile -2.4949
Saponite-Na -0.6277 Sanidine_high -2.5903
Celadonite -0.6341 Dawsonite -2.5964
Cristobalite(alpha) -0.7956 Beidellite-H -2.6506
Montmor-Ca -0.8099 Scolecite -2.6609
Talc -0.8117
(only minerals with log Q/K > -3 listed)
partial
Gases press. (bar) fugacity fug. coef. log fug.
-----------------------------------------------------------------------------------------
CH4(g) 100.2 100.0 0.9976 2.0000
H2O(g) 0.005489 0.005026 0.9156 -2.2988
CO2(g) 0.0002923 0.0002903 0.9932 -3.5371
N2(g) 1.448e-05 1.447e-05 0.9995 -4.8395
H2(g) 4.390e-06 4.394e-06 1.001 -5.3571
NH3(g) 1.465e-07 1.447e-07 0.9882 -6.8394
H2S(g) 8.752e-08 8.664e-08 0.9900 -7.0623
CO(g) 4.519e-13 4.519e-13 1.000* -12.3449
HCl(g) 4.298e-18 4.298e-18 1.000* -17.3668
C2H4(g) 5.977e-19 5.977e-19 1.000* -18.2235
S2(g) 1.672e-32 1.672e-32 1.000* -31.7767
SO2(g) 7.514e-33 7.353e-33 0.9786 -32.1335
NO(g) 2.610e-60 2.610e-60 1.000* -59.5833
Na(g) 1.714e-63 1.714e-63 1.000* -62.7661
K(g) 2.880e-65 2.880e-65 1.000* -64.5405
Cl2(g) 1.903e-66 1.903e-66 1.000* -65.7206
O2(g) 2.705e-82 2.703e-82 0.9990 -81.5682
NO2(g) 1.150e-93 1.150e-93 1.000* -92.9392
Mg(g) 2.677e-101 2.677e-101 1.000* -100.5724
C(g) 3.535e-127 3.535e-127 1.000* -126.4516
Ca(g) 9.840e-128 9.840e-128 1.000* -127.0070
Al(g) 1.874e-149 1.874e-149 1.000* -148.7273
Si(g) 3.312e-162 3.312e-162 1.000* -161.4799
*no data, gas taken to be ideal
In fluid Sorbed
Original basis total moles moles mg/kg moles mg/kg
-------------------------------------------------------------------------------------------------
H2O 49.93 49.92 9.990e+05
Al+++ 0.0008305 4.891e-09 0.0001466
Ca++ 0.0005644 9.528e-05 4.242
Cl- 0.01725 0.01725 679.2
Fe++ 0.008423 3.198e-05 1.984
H+ -0.01341 0.003368 3.770
HCO3- 0.001834 0.0008902 60.34
HPO4-- 9.369e-12 9.369e-12 9.989e-07
K+ 4.086e-05 4.086e-05 1.775
Mg++ 0.009964 0.006934 187.2
Mn++ 1.637e-11 1.637e-11 9.989e-07
NH3(aq) 0.003387 0.003387 64.08
Na+ 0.0006003 0.0006003 15.33
Ni++ 0.0004237 3.454e-06 0.2252
O2(aq) -0.008525 -2.935e-06 -0.1043
SO4-- 0.004695 1.134e-07 0.01210
SiO2(aq) 0.009545 1.381e-05 0.9216
In fluid Sorbed
Elemental composition total moles moles mg/kg moles mg/kg
-------------------------------------------------------------------------------------------------
Aluminum 0.0008305 4.891e-09 0.0001466
Calcium 0.0005644 9.528e-05 4.242
Carbon 0.001834 0.0008902 11.88
Chlorine 0.01725 0.01725 679.2
Hydrogen 99.86 99.86 1.118e+05
Iron 0.008423 3.198e-05 1.984
Magnesium 0.009964 0.006934 187.2
Manganese 1.637e-11 1.637e-11 9.989e-07
Nickel 0.0004237 3.454e-06 0.2252
Nitrogen 0.003387 0.003387 52.70
Oxygen 49.96 49.92 8.872e+05
Phosphorus 9.369e-12 9.369e-12 3.223e-07
Potassium 4.086e-05 4.086e-05 1.775
Silicon 0.009545 1.381e-05 0.4308
Sodium 0.0006003 0.0006003 15.33
Sulfur 0.004695 1.134e-07 0.004038
Step # 24 Xi = 0.0215
Temperature = 0.0 C Pressure = 1.013 bar
pH = 8.086 log fO2 = -81.541
Eh = -0.3094 volts pe = -5.7095
Ionic strength = 0.027845 molal
Activity of water = 0.999339
Solvent mass = 0.89933 kg
Solution mass = 0.90025 kg
Mineral mass = 0.0016020 kg
Fluid density = 1.001 g/cm3
compressibility = 4.825e-05 /bar
expansivity = 8.006e-05 /C
viscosity = 0.018 poise
Chlorinity = 0.019178 molal
Dissolved solids = 1025 mg/kg sol'n
Elect. conductivity = 2449.84 uS/cm (or umho/cm)
Hardness = 784.61 mg/kg sol'n as CaCO3
carbonate = 52.87 mg/kg sol'n as CaCO3
non-carbonate = 731.74 mg/kg sol'n as CaCO3
Carbonate alkalinity= 52.87 mg/kg sol'n as CaCO3
Water type = Mg-Cl
Bulk volume = 900. cm3
Fluid volume = 900. cm3
Mineral volume = 0.461 cm3
Inert volume = 0.00 cm3
Porosity = 99.9 %
Permeability = 97.0 cm2
Mass reacted = 2.63 g
moles moles grams cm3 rxn rate
Reactants remaining reacted reacted reacted (molal/sec)
---------------------------------------------------------------------------------------------------------
Al2O3 0.01900 0.0004179 0.04261 -- --
CH4(g) (fixed fug.) -0.02372 -0.3806 -- --
CO2(aq) 0.9996 0.02198 0.9675 -- --
CaO 0.02582 0.0005679 0.03185 -- --
FeO 0.3854 0.008476 0.6090 0.1017 --
Formaldehyde(aq) 0.05861 0.001289 0.03870 -- --
H2S(aq) 0.000 0.000 0.000 -- --
HCN(aq) 0.000 0.000 0.000 -- --
K2O 0.0009349 2.056e-05 0.001937 0.0008302 --
Methanol(aq) 0.1098 0.002416 0.07740 -- --
MgO 0.4559 0.01003 0.4041 -- --
MnO 0.000 0.000 0.000 -- --
N2(g) 0.000 0.000 0.000 -- --
NH3(aq) 0.1550 0.003408 0.05805 -- --
Na2O 0.01373 0.0003020 0.01872 0.007551 --
NiO 0.01939 0.0004264 0.03185 -- --
P2O5 0.000 0.000 0.000 -- --
S 0.2148 0.004724 0.1515 0.07328 --
SO2(g) 0.000 0.000 0.000 -- --
SO4-- 0.000 0.000 0.000 -- --
SiO2 0.4368 0.009605 0.5771 -- --
Minerals in system moles log moles grams volume (cm3)
-------------------------------------------------------------------------------------------
Dolomite-ord 0.0004816 -3.317 0.08881 0.03099
Minnesotaite 2.106e-05 -4.676 0.009982 0.003115
Ni2SiO4 0.0002114 -3.675 0.04428 0.009008
Nontronite-Mg 0.001814 -2.741 0.7649 0.2354
Pyrrhotite 0.004724 -2.326 0.4153 0.08598
Saponite-Mg 0.0007187 -3.143 0.2752 0.09606
Siderite 3.046e-05 -4.516 0.003528 0.0008947
_____________ _____________
(total) 1.602 0.4614
Aqueous species molality mg/kg sol'n act. coef. log act.
------------------------------------------------------------------------------------------
Cl- 0.01910 676.5 0.8515 -1.7888
Mg++ 0.007613 184.9 0.5905 -2.3472
NH4+ 0.003757 67.70 0.8482 -2.4967
HCO3- 0.0009841 59.98 0.8577 -3.0737
Na+ 0.0006692 15.37 0.8577 -3.2411
Ca++ 9.488e-05 3.799 0.5654 -4.2705
MgCl+ 7.608e-05 4.542 0.8577 -4.1854
MgHCO3+ 5.316e-05 4.531 0.8577 -4.3411
K+ 4.571e-05 1.785 0.8515 -4.4098
Fe++ 3.366e-05 1.878 0.5654 -4.7205
NH3(aq) 3.310e-05 0.5631 1.0000 -4.4802
CO2(aq) 2.639e-05 1.160 1.0000 -4.5786
SiO2(aq) 1.675e-05 1.005 1.0000 -4.7760
MgCO3(aq) 8.410e-06 0.7084 1.0000 -5.0752
CO3-- 4.485e-06 0.2689 0.5446 -5.6122
Ni++ 3.956e-06 0.2320 0.5654 -5.6503
NaCl(aq) 1.385e-06 0.08086 1.0000 -5.8585
NaHCO3(aq) 1.144e-06 0.09605 1.0000 -5.9414
CaHCO3+ 6.571e-07 0.06637 0.8577 -6.2490
Ethane(aq) 6.001e-07 0.01803 1.0000 -6.2218
Acetate 4.678e-07 0.02759 0.8606 -6.3952
FeCl+ 2.541e-07 0.02318 0.8577 -6.6616
CaCl+ 2.160e-07 0.01630 0.8577 -6.7322
CaCO3(aq) 1.735e-07 0.01735 1.0000 -6.7606
OH- 1.636e-07 0.002779 0.8546 -6.8545
HS- 1.170e-07 0.003865 0.8546 -7.0002
HSiO3- 1.130e-07 0.008699 0.8577 -7.0137
MgCH3COO+ 6.663e-08 0.005548 0.8577 -7.2430
H2S(aq) 2.139e-08 0.0007282 1.0000 -7.6699
N2(aq) 1.586e-08 0.0004438 1.0000 -7.7997
Formate 1.446e-08 0.0006503 0.8546 -7.9081
KCl(aq) 1.235e-08 0.0009198 1.0000 -7.9083
NaCO3- 1.053e-08 0.0008732 0.8577 -8.0442
(only species > 1e-8 molal listed)
Mineral saturation states log Q/K log Q/K
-----------------------------------------------------------------------------------------------
Polydymite 17.4966s/sat Coesite -1.0237
Heazlewoodite 11.0169s/sat Cronstedtite-7A -1.0721
Vaesite 4.8907s/sat Goethite -1.1061
Pyrite 3.7085s/sat Montmor-K -1.1230
Millerite 3.7074s/sat Montmor-Na -1.1651
C 2.6628s/sat Nontronite-H -1.1902
Daphnite-14A 1.0302s/sat Saponite-H -1.1924
Diaspore 0.2587s/sat Mesolite -1.2017
Troilite 0.1079s/sat Maximum_Microcline -1.2547
Dolomite-ord 0.0000 sat K-Feldspar -1.2591
Ni2SiO4 0.0000 sat Cristobalite(beta) -1.2747
Nontronite-Mg 0.0000 sat Hematite -1.3026
Saponite-Mg 0.0000 sat Illite -1.3352
Siderite 0.0000 sat Ripidolite-14A -1.4232
Pyrrhotite 0.0000 sat Stilbite -1.4468
Minnesotaite 0.0000 sat Calcite -1.4842
Dolomite -0.0001 Ferrosilite -1.5905
Ice -0.0470 Magnetite -1.6100
Quartz -0.1441 Aragonite -1.6300
Boehmite -0.1895 SiO2(am) -1.6520
Gibbsite -0.2028 Beidellite-Mg -1.6609
Kaolinite -0.2181 Dolomite-dis -1.7407
Muscovite -0.2531 Trevorite -1.8629
Nontronite-Ca -0.3062 Smectite-low-Fe-Mg -1.8663
Magnesite -0.3087 Beidellite-Ca -1.9669
Saponite-Ca -0.3092 Chamosite-7A -2.0763
Greenalite -0.3197 Phlogopite -2.0989
Tridymite -0.3505 Beidellite-K -2.2495
Annite -0.4269 Smectite-high-Fe-Mg -2.2638
Chalcedony -0.4401 Monohydrocalcite -2.2701
Montmor-Mg -0.5346 Beidellite-Na -2.2850
Nontronite-K -0.5891 Pyrophyllite -2.3851
Saponite-K -0.5919 Chrysotile -2.5085
Nontronite-Na -0.6242 Daphnite-7A -2.5843
Saponite-Na -0.6272 Sanidine_high -2.6316
Celadonite -0.6663 Dawsonite -2.7060
Talc -0.7434 Beidellite-H -2.8498
Cristobalite(alpha) -0.7547 Scolecite -2.9154
Montmor-Ca -0.9198
(only minerals with log Q/K > -3 listed)
partial
Gases press. (bar) fugacity fug. coef. log fug.
-----------------------------------------------------------------------------------------
CH4(g) 100.2 100.0 0.9976 2.0000
H2O(g) 0.005489 0.005026 0.9156 -2.2988
CO2(g) 0.0003315 0.0003293 0.9932 -3.4825
N2(g) 1.491e-05 1.490e-05 0.9995 -4.8267
H2(g) 4.254e-06 4.258e-06 1.001 -5.3708
NH3(g) 1.418e-07 1.401e-07 0.9882 -6.8535
H2S(g) 9.925e-08 9.825e-08 0.9900 -7.0077
CO(g) 4.966e-13 4.966e-13 1.000* -12.3040
HCl(g) 4.466e-18 4.466e-18 1.000* -17.3501
C2H4(g) 6.365e-19 6.365e-19 1.000* -18.1962
S2(g) 2.290e-32 2.290e-32 1.000* -31.6401
SO2(g) 9.364e-33 9.164e-33 0.9786 -32.0379
NO(g) 2.734e-60 2.734e-60 1.000* -59.5632
Na(g) 1.632e-63 1.632e-63 1.000* -62.7872
K(g) 2.744e-65 2.744e-65 1.000* -64.5616
Cl2(g) 2.120e-66 2.120e-66 1.000* -65.6736
O2(g) 2.881e-82 2.878e-82 0.9990 -81.5409
NO2(g) 1.243e-93 1.243e-93 1.000* -92.9055
Mg(g) 2.410e-101 2.410e-101 1.000* -100.6179
C(g) 3.764e-127 3.764e-127 1.000* -126.4243
Ca(g) 7.979e-128 7.979e-128 1.000* -127.0981
Al(g) 1.265e-149 1.265e-149 1.000* -148.8978
Si(g) 3.418e-162 3.418e-162 1.000* -161.4663
*no data, gas taken to be ideal
In fluid Sorbed
Original basis total moles moles mg/kg moles mg/kg
-------------------------------------------------------------------------------------------------
H2O 49.93 49.92 9.990e+05
Al+++ 0.0008357 3.343e-09 0.0001002
Ca++ 0.0005679 8.627e-05 3.841
Cl- 0.01725 0.01725 679.2
Fe++ 0.008476 3.050e-05 1.892
H+ -0.01348 0.003392 3.798
HCO3- 0.001966 0.0009720 65.88
HPO4-- 9.369e-12 9.369e-12 9.989e-07
K+ 4.112e-05 4.112e-05 1.786
Mg++ 0.01003 0.006971 188.2
Mn++ 1.637e-11 1.637e-11 9.989e-07
NH3(aq) 0.003408 0.003408 64.48
Na+ 0.0006041 0.0006041 15.43
Ni++ 0.0004264 3.563e-06 0.2323
O2(aq) -0.008544 -3.097e-06 -0.1101
SO4-- 0.004724 1.244e-07 0.01328
SiO2(aq) 0.009605 1.517e-05 1.013
In fluid Sorbed
Elemental composition total moles moles mg/kg moles mg/kg
-------------------------------------------------------------------------------------------------
Aluminum 0.0008357 3.343e-09 0.0001002
Calcium 0.0005679 8.627e-05 3.841
Carbon 0.001966 0.0009720 12.97
Chlorine 0.01725 0.01725 679.2
Hydrogen 99.86 99.86 1.118e+05
Iron 0.008476 3.050e-05 1.892
Magnesium 0.01003 0.006971 188.2
Manganese 1.637e-11 1.637e-11 9.989e-07
Nickel 0.0004264 3.563e-06 0.2323
Nitrogen 0.003408 0.003408 53.03
Oxygen 49.96 49.92 8.872e+05
Phosphorus 9.369e-12 9.369e-12 3.223e-07
Potassium 4.112e-05 4.112e-05 1.786
Silicon 0.009605 1.517e-05 0.4733
Sodium 0.0006041 0.0006041 15.43
Sulfur 0.004724 1.244e-07 0.004432
Step # 29 Xi = 0.0217
Temperature = 0.0 C Pressure = 1.013 bar
pH = 8.044 log fO2 = -81.475
Eh = -0.3063 volts pe = -5.6517
Ionic strength = 0.028159 molal
Activity of water = 0.999339
Solvent mass = 0.89932 kg
Solution mass = 0.90026 kg
Mineral mass = 0.0016190 kg
Fluid density = 1.001 g/cm3
compressibility = 4.825e-05 /bar
expansivity = 8.006e-05 /C
viscosity = 0.018 poise
Chlorinity = 0.019178 molal
Dissolved solids = 1044 mg/kg sol'n
Elect. conductivity = 2468.21 uS/cm (or umho/cm)
Hardness = 794.77 mg/kg sol'n as CaCO3
carbonate = 65.14 mg/kg sol'n as CaCO3
non-carbonate = 729.63 mg/kg sol'n as CaCO3
Carbonate alkalinity= 65.14 mg/kg sol'n as CaCO3
Water type = Mg-Cl
Bulk volume = 900. cm3
Fluid volume = 900. cm3
Mineral volume = 0.466 cm3
Inert volume = 0.00 cm3
Porosity = 99.9 %
Permeability = 96.9 cm2
Mass reacted = 2.66 g
moles moles grams cm3 rxn rate
Reactants remaining reacted reacted reacted (molal/sec)
---------------------------------------------------------------------------------------------------------
Al2O3 0.01900 0.0004222 0.04305 -- --
CH4(g) (fixed fug.) -0.02374 -0.3809 -- --
CO2(aq) 0.9994 0.02221 0.9776 -- --
CaO 0.02582 0.0005739 0.03218 -- --
FeO 0.3853 0.008565 0.6153 0.1028 --
Formaldehyde(aq) 0.05859 0.001302 0.03910 -- --
H2S(aq) 0.000 0.000 0.000 -- --
HCN(aq) 0.000 0.000 0.000 -- --
K2O 0.0009347 2.078e-05 0.001957 0.0008389 --
Methanol(aq) 0.1098 0.002441 0.07821 -- --
MgO 0.4558 0.01013 0.4083 -- --
MnO 0.000 0.000 0.000 -- --
N2(g) 0.000 0.000 0.000 -- --
NH3(aq) 0.1550 0.003444 0.05866 -- --
Na2O 0.01373 0.0003052 0.01892 0.007630 --
NiO 0.01938 0.0004309 0.03218 -- --
P2O5 0.000 0.000 0.000 -- --
S 0.2148 0.004774 0.1531 0.07405 --
SO2(g) 0.000 0.000 0.000 -- --
SO4-- 0.000 0.000 0.000 -- --
SiO2 0.4367 0.009706 0.5832 -- --
Minerals in system moles log moles grams volume (cm3)
-------------------------------------------------------------------------------------------
Dolomite-ord 0.0005058 -3.296 0.09326 0.03254
Minnesotaite 2.038e-05 -4.691 0.009657 0.003013
Ni2SiO4 0.0002135 -3.671 0.04472 0.009097
Nontronite-Mg 0.001851 -2.733 0.7807 0.2402
Pyrrhotite 0.004774 -2.321 0.4197 0.08688
Saponite-Mg 0.0007077 -3.150 0.2710 0.09459
_____________ _____________
(total) 1.619 0.4664
Aqueous species molality mg/kg sol'n act. coef. log act.
------------------------------------------------------------------------------------------
Cl- 0.01910 676.4 0.8508 -1.7891
Mg++ 0.007720 187.4 0.5893 -2.3421
NH4+ 0.003799 68.46 0.8475 -2.4922
HCO3- 0.001214 74.00 0.8571 -2.9827
Na+ 0.0006759 15.52 0.8571 -3.2371
MgCl+ 7.698e-05 4.595 0.8571 -4.1806
Ca++ 7.476e-05 2.993 0.5641 -4.3750
MgHCO3+ 6.637e-05 5.657 0.8571 -4.2450
K+ 4.619e-05 1.804 0.8508 -4.4056
CO2(aq) 3.578e-05 1.573 1.0000 -4.4464
NH3(aq) 3.042e-05 0.5175 1.0000 -4.5169
Fe++ 3.007e-05 1.678 0.5641 -4.7705
SiO2(aq) 2.106e-05 1.264 1.0000 -4.6766
MgCO3(aq) 9.543e-06 0.8038 1.0000 -5.0203
CO3-- 5.042e-06 0.3023 0.5431 -5.5625
Ni++ 4.277e-06 0.2507 0.5641 -5.6176
NaHCO3(aq) 1.424e-06 0.1195 1.0000 -5.8464
NaCl(aq) 1.397e-06 0.08156 1.0000 -5.8548
Ethane(aq) 6.475e-07 0.01945 1.0000 -6.1888
CaHCO3+ 6.373e-07 0.06436 0.8571 -6.2626
Acetate 5.771e-07 0.03404 0.8600 -6.3042
FeCl+ 2.265e-07 0.02065 0.8571 -6.7120
CaCl+ 1.698e-07 0.01281 0.8571 -6.8371
CaCO3(aq) 1.529e-07 0.01529 1.0000 -6.8155
OH- 1.489e-07 0.002529 0.8540 -6.8957
HS- 1.444e-07 0.004771 0.8540 -6.9089
HSiO3- 1.292e-07 0.009952 0.8571 -6.9556
MgCH3COO+ 8.319e-08 0.006927 0.8571 -7.1469
H2S(aq) 2.901e-08 0.0009878 1.0000 -7.5374
N2(aq) 1.683e-08 0.0004709 1.0000 -7.7740
Formate 1.653e-08 0.0007435 0.8540 -7.8502
KCl(aq) 1.246e-08 0.0009280 1.0000 -7.9045
NaCO3- 1.193e-08 0.0009889 0.8571 -7.9904
H+ 1.024e-08 1.031e-05 0.8820 -8.0444
(only species > 1e-8 molal listed)
Mineral saturation states log Q/K log Q/K
-----------------------------------------------------------------------------------------------
Polydymite 17.9104s/sat Annite -0.9268
Heazlewoodite 11.0997s/sat Muscovite -1.0827
Vaesite 5.1390s/sat Cristobalite(beta) -1.1753
Pyrite 3.8740s/sat Nontronite-H -1.1774
Millerite 3.7902s/sat Saponite-H -1.1796
C 2.7289s/sat Montmor-Ca -1.1858
Troilite 0.1079s/sat Goethite -1.2220
Saponite-Mg 0.0000 sat Maximum_Microcline -1.3572
Dolomite-ord 0.0000 sat K-Feldspar -1.3616
Minnesotaite 0.0000 sat Montmor-K -1.3704
Pyrrhotite 0.0000 sat Montmor-Na -1.4126
Nontronite-Mg 0.0000 sat Cronstedtite-7A -1.4695
Ni2SiO4 0.0000 sat Hematite -1.5344
Dolomite -0.0001 Calcite -1.5391
Siderite -0.0003 SiO2(am) -1.5526
Quartz -0.0447 Ferrosilite -1.6236
Ice -0.0470 Aragonite -1.6849
Daphnite-14A -0.0611 Dolomite-dis -1.7407
Diaspore -0.1048 Stilbite -1.7576
Tridymite -0.2511 Mesolite -1.7741
Magnesite -0.2538 Illite -1.8652
Nontronite-Ca -0.3243 Magnetite -1.9743
Saponite-Ca -0.3273 Smectite-low-Fe-Mg -2.0914
Chalcedony -0.3407 Trevorite -2.1444
Greenalite -0.5184 Beidellite-Mg -2.1560
Boehmite -0.5530 Monohydrocalcite -2.3250
Gibbsite -0.5663 Ripidolite-14A -2.3490
Talc -0.5780 Phlogopite -2.4333
Nontronite-K -0.5885 Beidellite-Ca -2.4801
Saponite-K -0.5913 Chrysotile -2.5417
Nontronite-Na -0.6237 Smectite-high-Fe-Mg -2.5646
Saponite-Na -0.6267 Pyrophyllite -2.7148
Cristobalite(alpha) -0.6553 Sanidine_high -2.7341
Kaolinite -0.7464 Beidellite-K -2.7441
Celadonite -0.7467 Beidellite-Na -2.7797
Montmor-Mg -0.7825 Chamosite-7A -2.9689
Coesite -0.9243 Dawsonite -2.9746
(only minerals with log Q/K > -3 listed)
partial
Gases press. (bar) fugacity fug. coef. log fug.
-----------------------------------------------------------------------------------------
CH4(g) 100.2 100.0 0.9976 2.0000
H2O(g) 0.005489 0.005026 0.9156 -2.2988
CO2(g) 0.0004494 0.0004464 0.9932 -3.3503
N2(g) 1.582e-05 1.581e-05 0.9995 -4.8010
H2(g) 3.943e-06 3.946e-06 1.001 -5.4038
H2S(g) 1.346e-07 1.333e-07 0.9900 -6.8752
NH3(g) 1.303e-07 1.288e-07 0.9882 -6.8902
CO(g) 6.239e-13 6.239e-13 1.000* -12.2049
HCl(g) 4.907e-18 4.907e-18 1.000* -17.3092
C2H4(g) 7.411e-19 7.411e-19 1.000* -18.1301
S2(g) 4.907e-32 4.907e-32 1.000* -31.3092
SO2(g) 1.596e-32 1.562e-32 0.9786 -31.8063
NO(g) 3.039e-60 3.039e-60 1.000* -59.5173
Na(g) 1.443e-63 1.443e-63 1.000* -62.8409
K(g) 2.426e-65 2.426e-65 1.000* -64.6151
Cl2(g) 2.762e-66 2.762e-66 1.000* -65.5588
O2(g) 3.355e-82 3.351e-82 0.9990 -81.4748
NO2(g) 1.491e-93 1.491e-93 1.000* -92.8266
Mg(g) 1.870e-101 1.870e-101 1.000* -100.7283
C(g) 4.383e-127 4.383e-127 1.000* -126.3582
Ca(g) 4.807e-128 4.807e-128 1.000* -127.3181
Al(g) 4.888e-150 4.888e-150 1.000* -149.3109
Si(g) 3.690e-162 3.690e-162 1.000* -161.4330
*no data, gas taken to be ideal
In fluid Sorbed
Original basis total moles moles mg/kg moles mg/kg
-------------------------------------------------------------------------------------------------
H2O 49.93 49.92 9.990e+05
Al+++ 0.0008445 1.328e-09 3.981e-05
Ca++ 0.0005739 6.810e-05 3.032
Cl- 0.01725 0.01725 679.2
Fe++ 0.008565 2.725e-05 1.690
H+ -0.01358 0.003437 3.848
HCO3- 0.002213 0.001201 81.41
HPO4-- 9.369e-12 9.369e-12 9.988e-07
K+ 4.155e-05 4.155e-05 1.805
Mg++ 0.01013 0.007081 191.2
Mn++ 1.637e-11 1.637e-11 9.988e-07
NH3(aq) 0.003444 0.003444 65.16
Na+ 0.0006104 0.0006104 15.59
Ni++ 0.0004309 3.851e-06 0.2511
O2(aq) -0.008625 -3.538e-06 -0.1257
SO4-- 0.004774 1.560e-07 0.01664
SiO2(aq) 0.009706 1.906e-05 1.272
In fluid Sorbed
Elemental composition total moles moles mg/kg moles mg/kg
-------------------------------------------------------------------------------------------------
Aluminum 0.0008445 1.328e-09 3.981e-05
Calcium 0.0005739 6.810e-05 3.032
Carbon 0.002213 0.001201 16.03
Chlorine 0.01725 0.01725 679.2
Hydrogen 99.86 99.86 1.118e+05
Iron 0.008565 2.725e-05 1.690
Magnesium 0.01013 0.007081 191.2
Manganese 1.637e-11 1.637e-11 9.988e-07
Nickel 0.0004309 3.851e-06 0.2511
Nitrogen 0.003444 0.003444 53.59
Oxygen 49.96 49.92 8.872e+05
Phosphorus 9.369e-12 9.369e-12 3.223e-07
Potassium 4.155e-05 4.155e-05 1.805
Silicon 0.009706 1.906e-05 0.5945
Sodium 0.0006104 0.0006104 15.59
Sulfur 0.004774 1.560e-07 0.005555
Step # 38 Xi = 0.0218
Temperature = 0.0 C Pressure = 1.013 bar
pH = 8.026 log fO2 = -81.453
Eh = -0.3050 volts pe = -5.6276
Ionic strength = 0.028254 molal
Activity of water = 0.999339
Solvent mass = 0.89932 kg
Solution mass = 0.90027 kg
Mineral mass = 0.0016242 kg
Fluid density = 1.001 g/cm3
compressibility = 4.825e-05 /bar
expansivity = 8.006e-05 /C
viscosity = 0.018 poise
Chlorinity = 0.019178 molal
Dissolved solids = 1049 mg/kg sol'n
Elect. conductivity = 2473.78 uS/cm (or umho/cm)
Hardness = 797.82 mg/kg sol'n as CaCO3
carbonate = 68.84 mg/kg sol'n as CaCO3
non-carbonate = 728.98 mg/kg sol'n as CaCO3
Carbonate alkalinity= 68.84 mg/kg sol'n as CaCO3
Water type = Mg-Cl
Bulk volume = 900. cm3
Fluid volume = 900. cm3
Mineral volume = 0.468 cm3
Inert volume = 0.00 cm3
Porosity = 99.9 %
Permeability = 96.9 cm2
Mass reacted = 2.67 g
moles moles grams cm3 rxn rate
Reactants remaining reacted reacted reacted (molal/sec)
---------------------------------------------------------------------------------------------------------
Al2O3 0.01900 0.0004236 0.04319 -- --
CH4(g) (fixed fug.) -0.02375 -0.3810 -- --
CO2(aq) 0.9993 0.02229 0.9808 -- --
CaO 0.02582 0.0005757 0.03228 -- --
FeO 0.3853 0.008592 0.6173 0.1031 --
Formaldehyde(aq) 0.05859 0.001307 0.03923 -- --
H2S(aq) 0.000 0.000 0.000 -- --
HCN(aq) 0.000 0.000 0.000 -- --
K2O 0.0009346 2.084e-05 0.001963 0.0008416 --
Methanol(aq) 0.1098 0.002449 0.07846 -- --
MgO 0.4558 0.01016 0.4097 -- --
MnO 0.000 0.000 0.000 -- --
N2(g) 0.000 0.000 0.000 -- --
NH3(aq) 0.1549 0.003455 0.05885 -- --
Na2O 0.01373 0.0003062 0.01898 0.007655 --
NiO 0.01938 0.0004322 0.03228 -- --
P2O5 0.000 0.000 0.000 -- --
S 0.2148 0.004789 0.1536 0.07428 --
SO2(g) 0.000 0.000 0.000 -- --
SO4-- 0.000 0.000 0.000 -- --
SiO2 0.4366 0.009737 0.5850 -- --
Minerals in system moles log moles grams volume (cm3)
-------------------------------------------------------------------------------------------
Dolomite-ord 0.0005094 -3.293 0.09394 0.03278
Minnesotaite 1.904e-05 -4.720 0.009023 0.002815
Ni2SiO4 0.0002141 -3.669 0.04485 0.009124
Nontronite-Mg 0.001860 -2.730 0.7844 0.2414
Pyrrhotite 0.004789 -2.320 0.4210 0.08716
Quartz 3.679e-06 -5.434 0.0002211 8.347e-05
Saponite-Mg 0.0007071 -3.151 0.2708 0.09451
_____________ _____________
(total) 1.624 0.4678
Aqueous species molality mg/kg sol'n act. coef. log act.
------------------------------------------------------------------------------------------
Cl- 0.01910 676.4 0.8506 -1.7892
Mg++ 0.007748 188.1 0.5889 -2.3408
NH4+ 0.003813 68.71 0.8473 -2.4907
HCO3- 0.001284 78.25 0.8569 -2.9586
Na+ 0.0006780 15.57 0.8569 -3.2358
MgCl+ 7.721e-05 4.609 0.8569 -4.1794
Ca++ 7.275e-05 2.913 0.5637 -4.3871
MgHCO3+ 7.039e-05 6.000 0.8569 -4.2195
K+ 4.634e-05 1.810 0.8506 -4.4043
CO2(aq) 3.949e-05 1.736 1.0000 -4.4035
NH3(aq) 2.923e-05 0.4973 1.0000 -4.5342
Fe++ 2.860e-05 1.595 0.5637 -4.7927
SiO2(aq) 2.334e-05 1.401 1.0000 -4.6319
MgCO3(aq) 9.691e-06 0.8163 1.0000 -5.0136
CO3-- 5.110e-06 0.3063 0.5427 -5.5571
Ni++ 4.432e-06 0.2598 0.5637 -5.6024
NaHCO3(aq) 1.510e-06 0.1267 1.0000 -5.8210
NaCl(aq) 1.401e-06 0.08177 1.0000 -5.8537
Ethane(aq) 6.637e-07 0.01994 1.0000 -6.1780
CaHCO3+ 6.553e-07 0.06618 0.8569 -6.2506
Acetate 6.102e-07 0.03599 0.8599 -6.2801
FeCl+ 2.152e-07 0.01963 0.8569 -6.7342
CaCl+ 1.651e-07 0.01246 0.8569 -6.8493
HS- 1.587e-07 0.005243 0.8538 -6.8681
CaCO3(aq) 1.506e-07 0.01506 1.0000 -6.8222
OH- 1.426e-07 0.002423 0.8538 -6.9145
HSiO3- 1.372e-07 0.01057 0.8569 -6.9297
MgCH3COO+ 8.823e-08 0.007346 0.8569 -7.1215
H2S(aq) 3.328e-08 0.001133 1.0000 -7.4778
Formate 1.706e-08 0.0007670 0.8538 -7.8368
N2(aq) 1.673e-08 0.0004683 1.0000 -7.7764
KCl(aq) 1.249e-08 0.0009305 1.0000 -7.9033
NaCO3- 1.211e-08 0.001004 0.8569 -7.9838
H+ 1.069e-08 1.076e-05 0.8819 -8.0256
(only species > 1e-8 molal listed)
Mineral saturation states log Q/K log Q/K
-----------------------------------------------------------------------------------------------
Polydymite 18.0925s/sat Kaolinite -0.9577
Heazlewoodite 11.1412s/sat Cristobalite(beta) -1.1306
Vaesite 5.2466s/sat Annite -1.1393
Pyrite 3.9443s/sat Nontronite-H -1.1714
Millerite 3.8275s/sat Saponite-H -1.1736
C 2.7503s/sat Goethite -1.2763
Troilite 0.1079s/sat Montmor-Ca -1.2782
Pyrrhotite 0.0000 sat Maximum_Microcline -1.3909
Minnesotaite 0.0000 sat K-Feldspar -1.3953
Nontronite-Mg 0.0000 sat Muscovite -1.4170
Dolomite-ord 0.0000 sat Montmor-K -1.4603
Ni2SiO4 0.0000 sat Montmor-Na -1.5025
Saponite-Mg 0.0000 sat SiO2(am) -1.5079
Quartz 0.0000 sat Calcite -1.5458
Dolomite -0.0001 Ferrosilite -1.6385
Siderite -0.0170 Hematite -1.6429
Ice -0.0470 Cronstedtite-7A -1.6525
Tridymite -0.2064 Aragonite -1.6916
Magnesite -0.2471 Dolomite-dis -1.7407
Diaspore -0.2551 Stilbite -1.8334
Chalcedony -0.2960 Mesolite -1.9830
Nontronite-Ca -0.3266 Illite -2.0739
Saponite-Ca -0.3296 Magnetite -2.1424
Talc -0.5076 Smectite-low-Fe-Mg -2.1772
Daphnite-14A -0.5257 Trevorite -2.2753
Nontronite-K -0.5883 Monohydrocalcite -2.3317
Saponite-K -0.5911 Beidellite-Mg -2.3482
Greenalite -0.6078 Chrysotile -2.5608
Cristobalite(alpha) -0.6106 Phlogopite -2.5754
Nontronite-Na -0.6235 Beidellite-Ca -2.6745
Saponite-Na -0.6265 Smectite-high-Fe-Mg -2.6848
Boehmite -0.7033 Ripidolite-14A -2.7433
Gibbsite -0.7167 Sanidine_high -2.7678
Celadonite -0.7719 Pyrophyllite -2.8366
Montmor-Mg -0.8726 Beidellite-K -2.9361
Coesite -0.8796 Beidellite-Na -2.9717
(only minerals with log Q/K > -3 listed)
partial
Gases press. (bar) fugacity fug. coef. log fug.
-----------------------------------------------------------------------------------------
CH4(g) 100.2 100.0 0.9976 2.0000
H2O(g) 0.005489 0.005026 0.9156 -2.2988
CO2(g) 0.0004960 0.0004927 0.9932 -3.3074
N2(g) 1.573e-05 1.573e-05 0.9995 -4.8034
H2(g) 3.847e-06 3.850e-06 1.001 -5.4146
H2S(g) 1.545e-07 1.529e-07 0.9900 -6.8156
NH3(g) 1.252e-07 1.237e-07 0.9882 -6.9075
CO(g) 6.719e-13 6.719e-13 1.000* -12.1727
HCl(g) 5.122e-18 5.122e-18 1.000* -17.2906
C2H4(g) 7.786e-19 7.786e-19 1.000* -18.1087
S2(g) 6.784e-32 6.784e-32 1.000* -31.1685
SO2(g) 1.972e-32 1.929e-32 0.9786 -31.7146
NO(g) 3.106e-60 3.106e-60 1.000* -59.5078
Na(g) 1.369e-63 1.369e-63 1.000* -62.8637
K(g) 2.302e-65 2.302e-65 1.000* -64.6379
Cl2(g) 3.085e-66 3.085e-66 1.000* -65.5108
O2(g) 3.524e-82 3.521e-82 0.9990 -81.4534
NO2(g) 1.562e-93 1.562e-93 1.000* -92.8064
Mg(g) 1.678e-101 1.678e-101 1.000* -100.7752
C(g) 4.605e-127 4.605e-127 1.000* -126.3368
Ca(g) 4.184e-128 4.184e-128 1.000* -127.3784
Al(g) 3.332e-150 3.332e-150 1.000* -149.4773
Si(g) 3.893e-162 3.893e-162 1.000* -161.4097
*no data, gas taken to be ideal
In fluid Sorbed
Original basis total moles moles mg/kg moles mg/kg
-------------------------------------------------------------------------------------------------
H2O 49.93 49.92 9.989e+05
Al+++ 0.0008472 9.037e-10 2.708e-05
Ca++ 0.0005757 6.631e-05 2.952
Cl- 0.01725 0.01725 679.2
Fe++ 0.008592 2.591e-05 1.607
H+ -0.01361 0.003453 3.866
HCO3- 0.002290 0.001271 86.16
HPO4-- 9.369e-12 9.369e-12 9.988e-07
K+ 4.168e-05 4.168e-05 1.810
Mg++ 0.01016 0.007110 191.9
Mn++ 1.637e-11 1.637e-11 9.988e-07
NH3(aq) 0.003455 0.003455 65.37
Na+ 0.0006124 0.0006124 15.64
Ni++ 0.0004322 3.991e-06 0.2601
O2(aq) -0.008652 -3.692e-06 -0.1312
SO4-- 0.004789 1.727e-07 0.01842
SiO2(aq) 0.009737 2.112e-05 1.409
In fluid Sorbed
Elemental composition total moles moles mg/kg moles mg/kg
-------------------------------------------------------------------------------------------------
Aluminum 0.0008472 9.037e-10 2.708e-05
Calcium 0.0005757 6.631e-05 2.952
Carbon 0.002290 0.001271 16.96
Chlorine 0.01725 0.01725 679.2
Hydrogen 99.86 99.86 1.118e+05
Iron 0.008592 2.591e-05 1.607
Magnesium 0.01016 0.007110 191.9
Manganese 1.637e-11 1.637e-11 9.988e-07
Nickel 0.0004322 3.991e-06 0.2601
Nitrogen 0.003455 0.003455 53.76
Oxygen 49.96 49.92 8.872e+05
Phosphorus 9.369e-12 9.369e-12 3.223e-07
Potassium 4.168e-05 4.168e-05 1.810
Silicon 0.009737 2.112e-05 0.6588
Sodium 0.0006124 0.0006124 15.64
Sulfur 0.004789 1.727e-07 0.006150
Step # 40 Xi = 0.0219
Temperature = 0.0 C Pressure = 1.013 bar
pH = 8.026 log fO2 = -81.445
Eh = -0.3049 volts pe = -5.6256
Ionic strength = 0.028324 molal
Activity of water = 0.999339
Solvent mass = 0.89932 kg
Solution mass = 0.90027 kg
Mineral mass = 0.0016293 kg
Fluid density = 1.001 g/cm3
compressibility = 4.825e-05 /bar
expansivity = 8.006e-05 /C
viscosity = 0.018 poise
Chlorinity = 0.019178 molal
Dissolved solids = 1054 mg/kg sol'n
Elect. conductivity = 2477.96 uS/cm (or umho/cm)
Hardness = 800.01 mg/kg sol'n as CaCO3
carbonate = 71.63 mg/kg sol'n as CaCO3
non-carbonate = 728.38 mg/kg sol'n as CaCO3
Carbonate alkalinity= 71.63 mg/kg sol'n as CaCO3
Water type = Mg-Cl
Bulk volume = 900. cm3
Fluid volume = 900. cm3
Mineral volume = 0.469 cm3
Inert volume = 0.00 cm3
Porosity = 99.9 %
Permeability = 96.9 cm2
Mass reacted = 2.68 g
moles moles grams cm3 rxn rate
Reactants remaining reacted reacted reacted (molal/sec)
---------------------------------------------------------------------------------------------------------
Al2O3 0.01899 0.0004248 0.04331 -- --
CH4(g) (fixed fug.) -0.02376 -0.3811 -- --
CO2(aq) 0.9993 0.02235 0.9835 -- --
CaO 0.02581 0.0005773 0.03237 -- --
FeO 0.3853 0.008616 0.6190 0.1034 --
Formaldehyde(aq) 0.05859 0.001310 0.03934 -- --
H2S(aq) 0.000 0.000 0.000 -- --
HCN(aq) 0.000 0.000 0.000 -- --
K2O 0.0009346 2.090e-05 0.001969 0.0008439 --
Methanol(aq) 0.1098 0.002455 0.07868 -- --
MgO 0.4558 0.01019 0.4108 -- --
MnO 0.000 0.000 0.000 -- --
N2(g) 0.000 0.000 0.000 -- --
NH3(aq) 0.1549 0.003465 0.05901 -- --
Na2O 0.01373 0.0003070 0.01903 0.007676 --
NiO 0.01938 0.0004334 0.03237 -- --
P2O5 0.000 0.000 0.000 -- --
S 0.2147 0.004802 0.1540 0.07449 --
SO2(g) 0.000 0.000 0.000 -- --
SO4-- 0.000 0.000 0.000 -- --
SiO2 0.4366 0.009764 0.5867 -- --
Minerals in system moles log moles grams volume (cm3)
-------------------------------------------------------------------------------------------
Dolomite-ord 0.0005162 -3.287 0.09518 0.03321
Minnesotaite 1.649e-05 -4.783 0.007814 0.002438
Ni2SiO4 0.0002147 -3.668 0.04498 0.009149
Nontronite-Mg 0.001869 -2.728 0.7881 0.2425
Pyrrhotite 0.004802 -2.319 0.4222 0.08740
Quartz 1.415e-05 -4.849 0.0008502 0.0003210
Saponite-Mg 0.0007055 -3.152 0.2701 0.09429
Siderite 7.010e-07 -6.154 8.122e-05 2.059e-05
_____________ _____________
(total) 1.629 0.4693
Aqueous species molality mg/kg sol'n act. coef. log act.
------------------------------------------------------------------------------------------
Cl- 0.01910 676.4 0.8505 -1.7893
Mg++ 0.007772 188.7 0.5886 -2.3396
NH4+ 0.003823 68.89 0.8471 -2.4896
HCO3- 0.001336 81.42 0.8568 -2.9414
Na+ 0.0006798 15.61 0.8568 -3.2347
MgCl+ 7.741e-05 4.621 0.8568 -4.1783
MgHCO3+ 7.344e-05 6.259 0.8568 -4.2012
Ca++ 6.704e-05 2.684 0.5634 -4.4229
K+ 4.647e-05 1.815 0.8505 -4.4032
CO2(aq) 4.107e-05 1.805 1.0000 -4.3865
NH3(aq) 2.931e-05 0.4987 1.0000 -4.5329
Fe++ 2.859e-05 1.595 0.5634 -4.7930
SiO2(aq) 2.334e-05 1.401 1.0000 -4.6319
MgCO3(aq) 1.011e-05 0.8517 1.0000 -4.9952
CO3-- 5.321e-06 0.3189 0.5424 -5.5397
Ni++ 4.431e-06 0.2598 0.5634 -5.6027
NaHCO3(aq) 1.575e-06 0.1322 1.0000 -5.8027
NaCl(aq) 1.404e-06 0.08196 1.0000 -5.8527
Ethane(aq) 6.702e-07 0.02013 1.0000 -6.1738
Acetate 6.349e-07 0.03745 0.8597 -6.2629
CaHCO3+ 6.279e-07 0.06341 0.8568 -6.2692
FeCl+ 2.151e-07 0.01961 0.8568 -6.7346
HS- 1.588e-07 0.005246 0.8537 -6.8679
CaCl+ 1.521e-07 0.01147 0.8568 -6.8851
CaCO3(aq) 1.443e-07 0.01443 1.0000 -6.8406
OH- 1.427e-07 0.002424 0.8537 -6.9143
HSiO3- 1.373e-07 0.01057 0.8568 -6.9295
MgCH3COO+ 9.204e-08 0.007664 0.8568 -7.1031
H2S(aq) 3.328e-08 0.001133 1.0000 -7.4778
Formate 1.757e-08 0.0007903 0.8537 -7.8238
N2(aq) 1.733e-08 0.0004850 1.0000 -7.7611
NaCO3- 1.264e-08 0.001048 0.8568 -7.9654
KCl(aq) 1.252e-08 0.0009327 1.0000 -7.9022
H+ 1.069e-08 1.076e-05 0.8818 -8.0258
(only species > 1e-8 molal listed)
Mineral saturation states log Q/K log Q/K
-----------------------------------------------------------------------------------------------
Polydymite 18.0968s/sat Kaolinite -0.9849
Heazlewoodite 11.1369s/sat Cristobalite(beta) -1.1306
Vaesite 5.2508s/sat Annite -1.1517
Pyrite 3.9486s/sat Nontronite-H -1.1717
Millerite 3.8275s/sat Saponite-H -1.1739
C 2.7588s/sat Goethite -1.2741
Troilite 0.1079s/sat Montmor-Ca -1.3063
Nontronite-Mg 0.0000 sat Maximum_Microcline -1.4033
Saponite-Mg 0.0000 sat K-Feldspar -1.4077
Minnesotaite 0.0000 sat Muscovite -1.4566
Pyrrhotite 0.0000 sat Montmor-K -1.4822
Quartz 0.0000 sat SiO2(am) -1.5079
Ni2SiO4 0.0000 sat Montmor-Na -1.5244
Siderite 0.0000 sat Calcite -1.5642
Dolomite-ord 0.0000 sat Ferrosilite -1.6385
Dolomite -0.0001 Hematite -1.6387
Ice -0.0470 Cronstedtite-7A -1.6483
Tridymite -0.2064 Aragonite -1.7100
Magnesite -0.2287 Dolomite-dis -1.7407
Diaspore -0.2687 Stilbite -1.8991
Chalcedony -0.2960 Mesolite -2.0326
Nontronite-Ca -0.3326 Illite -2.1042
Saponite-Ca -0.3356 Magnetite -2.1382
Talc -0.5034 Smectite-low-Fe-Mg -2.1929
Daphnite-14A -0.5529 Trevorite -2.2710
Nontronite-K -0.5881 Monohydrocalcite -2.3501
Saponite-K -0.5909 Beidellite-Mg -2.3797
Greenalite -0.6078 Chrysotile -2.5566
Cristobalite(alpha) -0.6106 Phlogopite -2.5835
Nontronite-Na -0.6233 Smectite-high-Fe-Mg -2.7002
Saponite-Na -0.6263 Beidellite-Ca -2.7121
Boehmite -0.7169 Ripidolite-14A -2.7663
Gibbsite -0.7303 Sanidine_high -2.7802
Celadonite -0.7828 Pyrophyllite -2.8638
Coesite -0.8796 Beidellite-K -2.9674
Montmor-Mg -0.8947
(only minerals with log Q/K > -3 listed)
partial
Gases press. (bar) fugacity fug. coef. log fug.
-----------------------------------------------------------------------------------------
CH4(g) 100.2 100.0 0.9976 2.0000
H2O(g) 0.005489 0.005026 0.9156 -2.2988
CO2(g) 0.0005159 0.0005124 0.9932 -3.2904
N2(g) 1.630e-05 1.629e-05 0.9995 -4.7881
H2(g) 3.809e-06 3.812e-06 1.001 -5.4188
H2S(g) 1.545e-07 1.529e-07 0.9900 -6.8156
NH3(g) 1.256e-07 1.241e-07 0.9882 -6.9062
CO(g) 6.919e-13 6.919e-13 1.000* -12.1599
HCl(g) 5.119e-18 5.119e-18 1.000* -17.2908
C2H4(g) 7.940e-19 7.940e-19 1.000* -18.1002
S2(g) 6.919e-32 6.919e-32 1.000* -31.1600
SO2(g) 2.030e-32 1.987e-32 0.9786 -31.7018
NO(g) 3.192e-60 3.192e-60 1.000* -59.4959
Na(g) 1.366e-63 1.366e-63 1.000* -62.8646
K(g) 2.297e-65 2.297e-65 1.000* -64.6388
Cl2(g) 3.112e-66 3.112e-66 1.000* -65.5070
O2(g) 3.594e-82 3.591e-82 0.9990 -81.4448
NO2(g) 1.621e-93 1.621e-93 1.000* -92.7902
Mg(g) 1.667e-101 1.667e-101 1.000* -100.7780
C(g) 4.696e-127 4.696e-127 1.000* -126.3283
Ca(g) 3.818e-128 3.818e-128 1.000* -127.4182
Al(g) 3.182e-150 3.182e-150 1.000* -149.4973
Si(g) 3.817e-162 3.817e-162 1.000* -161.4183
*no data, gas taken to be ideal
In fluid Sorbed
Original basis total moles moles mg/kg moles mg/kg
-------------------------------------------------------------------------------------------------
H2O 49.93 49.92 9.989e+05
Al+++ 0.0008495 8.762e-10 2.626e-05
Ca++ 0.0005773 6.112e-05 2.721
Cl- 0.01725 0.01725 679.2
Fe++ 0.008616 2.591e-05 1.607
H+ -0.01363 0.003463 3.877
HCO3- 0.002356 0.001323 89.65
HPO4-- 9.369e-12 9.369e-12 9.988e-07
K+ 4.180e-05 4.180e-05 1.815
Mg++ 0.01019 0.007135 192.6
Mn++ 1.637e-11 1.637e-11 9.988e-07
NH3(aq) 0.003465 0.003465 65.54
Na+ 0.0006141 0.0006141 15.68
Ni++ 0.0004334 3.990e-06 0.2601
O2(aq) -0.008674 -3.764e-06 -0.1338
SO4-- 0.004802 1.727e-07 0.01843
SiO2(aq) 0.009764 2.112e-05 1.409
In fluid Sorbed
Elemental composition total moles moles mg/kg moles mg/kg
-------------------------------------------------------------------------------------------------
Aluminum 0.0008495 8.762e-10 2.626e-05
Calcium 0.0005773 6.112e-05 2.721
Carbon 0.002356 0.001323 17.65
Chlorine 0.01725 0.01725 679.2
Hydrogen 99.86 99.86 1.118e+05
Iron 0.008616 2.591e-05 1.607
Magnesium 0.01019 0.007135 192.6
Manganese 1.637e-11 1.637e-11 9.988e-07
Nickel 0.0004334 3.990e-06 0.2601
Nitrogen 0.003465 0.003465 53.91
Oxygen 49.96 49.92 8.872e+05
Phosphorus 9.369e-12 9.369e-12 3.223e-07
Potassium 4.180e-05 4.180e-05 1.815
Silicon 0.009764 2.112e-05 0.6588
Sodium 0.0006141 0.0006141 15.68
Sulfur 0.004802 1.727e-07 0.006152
Step # 42 Xi = 0.0219
Temperature = 0.0 C Pressure = 1.013 bar
pH = 8.026 log fO2 = -81.445
Eh = -0.3049 volts pe = -5.6258
Ionic strength = 0.028319 molal
Activity of water = 0.999339
Solvent mass = 0.89932 kg
Solution mass = 0.90027 kg
Mineral mass = 0.0016374 kg
Fluid density = 1.001 g/cm3
compressibility = 4.825e-05 /bar
expansivity = 8.006e-05 /C
viscosity = 0.018 poise
Chlorinity = 0.019178 molal
Dissolved solids = 1054 mg/kg sol'n
Elect. conductivity = 2478.31 uS/cm (or umho/cm)
Hardness = 799.40 mg/kg sol'n as CaCO3
carbonate = 71.65 mg/kg sol'n as CaCO3
non-carbonate = 727.75 mg/kg sol'n as CaCO3
Carbonate alkalinity= 71.65 mg/kg sol'n as CaCO3
Water type = Mg-Cl
Bulk volume = 900. cm3
Fluid volume = 900. cm3
Mineral volume = 0.472 cm3
Inert volume = 0.00 cm3
Porosity = 99.9 %
Permeability = 96.9 cm2
Mass reacted = 2.69 g
moles moles grams cm3 rxn rate
Reactants remaining reacted reacted reacted (molal/sec)
---------------------------------------------------------------------------------------------------------
Al2O3 0.01899 0.0004260 0.04343 -- --
CH4(g) (fixed fug.) -0.02376 -0.3812 -- --
CO2(aq) 0.9992 0.02241 0.9862 -- --
CaO 0.02581 0.0005789 0.03246 -- --
FeO 0.3853 0.008640 0.6208 0.1037 --
Formaldehyde(aq) 0.05858 0.001314 0.03945 -- --
H2S(aq) 0.000 0.000 0.000 -- --
HCN(aq) 0.000 0.000 0.000 -- --
K2O 0.0009345 2.096e-05 0.001974 0.0008463 --
Methanol(aq) 0.1098 0.002462 0.07890 -- --
MgO 0.4557 0.01022 0.4119 -- --
MnO 0.000 0.000 0.000 -- --
N2(g) 0.000 0.000 0.000 -- --
NH3(aq) 0.1549 0.003475 0.05917 -- --
Na2O 0.01373 0.0003079 0.01908 0.007697 --
NiO 0.01938 0.0004346 0.03246 -- --
P2O5 0.000 0.000 0.000 -- --
S 0.2147 0.004816 0.1544 0.07470 --
SO2(g) 0.000 0.000 0.000 -- --
SO4-- 0.000 0.000 0.000 -- --
SiO2 0.4366 0.009791 0.5883 -- --
Minerals in system moles log moles grams volume (cm3)
-------------------------------------------------------------------------------------------
Dolomite-ord 0.0005178 -3.286 0.09549 0.03332
Ni2SiO4 0.0002153 -3.667 0.04510 0.009175
Nontronite-Mg 0.001866 -2.729 0.7867 0.2421
Pyrrhotite 0.004816 -2.317 0.4234 0.08764
Quartz 8.038e-05 -4.095 0.004830 0.001824
Saponite-Mg 0.0007159 -3.145 0.2741 0.09568
Siderite 6.720e-05 -4.173 0.007785 0.001974
_____________ _____________
(total) 1.637 0.4717
Aqueous species molality mg/kg sol'n act. coef. log act.
------------------------------------------------------------------------------------------
Cl- 0.01910 676.4 0.8505 -1.7893
Mg++ 0.007766 188.6 0.5886 -2.3399
NH4+ 0.003834 69.09 0.8471 -2.4884
HCO3- 0.001336 81.44 0.8568 -2.9413
Na+ 0.0006817 15.66 0.8568 -3.2335
MgCl+ 7.735e-05 4.618 0.8568 -4.1786
MgHCO3+ 7.341e-05 6.257 0.8568 -4.2014
Ca++ 6.699e-05 2.682 0.5634 -4.4232
K+ 4.660e-05 1.820 0.8505 -4.4020
CO2(aq) 4.107e-05 1.805 1.0000 -4.3865
NH3(aq) 2.941e-05 0.5003 1.0000 -4.5316
Fe++ 2.857e-05 1.594 0.5634 -4.7933
SiO2(aq) 2.334e-05 1.401 1.0000 -4.6319
MgCO3(aq) 1.011e-05 0.8517 1.0000 -4.9952
CO3-- 5.324e-06 0.3192 0.5424 -5.5394
Ni++ 4.428e-06 0.2596 0.5634 -5.6030
NaHCO3(aq) 1.580e-06 0.1326 1.0000 -5.8014
NaCl(aq) 1.408e-06 0.08219 1.0000 -5.8514
Ethane(aq) 6.702e-07 0.02013 1.0000 -6.1738
Acetate 6.351e-07 0.03746 0.8598 -6.2628
CaHCO3+ 6.277e-07 0.06339 0.8568 -6.2694
FeCl+ 2.149e-07 0.01960 0.8568 -6.7349
HS- 1.588e-07 0.005248 0.8537 -6.8678
CaCl+ 1.519e-07 0.01146 0.8568 -6.8854
CaCO3(aq) 1.443e-07 0.01443 1.0000 -6.8406
OH- 1.427e-07 0.002425 0.8537 -6.9142
HSiO3- 1.373e-07 0.01058 0.8568 -6.9294
MgCH3COO+ 9.201e-08 0.007661 0.8568 -7.1033
H2S(aq) 3.328e-08 0.001133 1.0000 -7.4778
Formate 1.758e-08 0.0007905 0.8537 -7.8237
N2(aq) 1.744e-08 0.0004881 1.0000 -7.7584
NaCO3- 1.268e-08 0.001052 0.8568 -7.9638
KCl(aq) 1.256e-08 0.0009354 1.0000 -7.9010
H+ 1.068e-08 1.076e-05 0.8818 -8.0259
(only species > 1e-8 molal listed)
Mineral saturation states log Q/K log Q/K
-----------------------------------------------------------------------------------------------
Polydymite 18.0968s/sat Kaolinite -0.9849
Heazlewoodite 11.1369s/sat Cristobalite(beta) -1.1306
Vaesite 5.2508s/sat Annite -1.1503
Pyrite 3.9486s/sat Nontronite-H -1.1717
Millerite 3.8275s/sat Saponite-H -1.1739
C 2.7588s/sat Goethite -1.2741
Troilite 0.1079s/sat Montmor-Ca -1.3063
Nontronite-Mg 0.0000 sat Maximum_Microcline -1.4019
Saponite-Mg 0.0000 sat K-Feldspar -1.4063
Quartz 0.0000 sat Muscovite -1.4552
Pyrrhotite 0.0000 sat Montmor-K -1.4817
Ni2SiO4 0.0000 sat SiO2(am) -1.5079
Siderite 0.0000 sat Montmor-Na -1.5239
Dolomite-ord 0.0000 sat Calcite -1.5642
Minnesotaite -0.0000 sat Ferrosilite -1.6385
Dolomite -0.0001 Hematite -1.6387
Ice -0.0470 Cronstedtite-7A -1.6483
Tridymite -0.2064 Aragonite -1.7100
Magnesite -0.2287 Dolomite-dis -1.7407
Diaspore -0.2687 Stilbite -1.8989
Chalcedony -0.2960 Mesolite -2.0317
Nontronite-Ca -0.3326 Illite -2.1033
Saponite-Ca -0.3356 Magnetite -2.1382
Talc -0.5034 Smectite-low-Fe-Mg -2.1924
Daphnite-14A -0.5529 Trevorite -2.2710
Nontronite-K -0.5877 Monohydrocalcite -2.3501
Saponite-K -0.5905 Beidellite-Mg -2.3796
Greenalite -0.6078 Chrysotile -2.5566
Cristobalite(alpha) -0.6106 Phlogopite -2.5821
Nontronite-Na -0.6229 Smectite-high-Fe-Mg -2.6998
Saponite-Na -0.6259 Beidellite-Ca -2.7121
Boehmite -0.7169 Ripidolite-14A -2.7663
Gibbsite -0.7303 Sanidine_high -2.7788
Celadonite -0.7814 Pyrophyllite -2.8638
Coesite -0.8796 Beidellite-K -2.9669
Montmor-Mg -0.8947
(only minerals with log Q/K > -3 listed)
partial
Gases press. (bar) fugacity fug. coef. log fug.
-----------------------------------------------------------------------------------------
CH4(g) 100.2 100.0 0.9976 2.0000
H2O(g) 0.005489 0.005026 0.9156 -2.2988
CO2(g) 0.0005159 0.0005124 0.9932 -3.2904
N2(g) 1.640e-05 1.639e-05 0.9995 -4.7854
H2(g) 3.809e-06 3.812e-06 1.001 -5.4188
H2S(g) 1.545e-07 1.529e-07 0.9900 -6.8156
NH3(g) 1.260e-07 1.245e-07 0.9882 -6.9049
CO(g) 6.919e-13 6.919e-13 1.000* -12.1599
HCl(g) 5.117e-18 5.117e-18 1.000* -17.2909
C2H4(g) 7.940e-19 7.940e-19 1.000* -18.1002
S2(g) 6.919e-32 6.919e-32 1.000* -31.1600
SO2(g) 2.031e-32 1.987e-32 0.9786 -31.7018
NO(g) 3.202e-60 3.202e-60 1.000* -59.4946
Na(g) 1.370e-63 1.370e-63 1.000* -62.8632
K(g) 2.305e-65 2.305e-65 1.000* -64.6374
Cl2(g) 3.110e-66 3.110e-66 1.000* -65.5073
O2(g) 3.594e-82 3.591e-82 0.9990 -81.4448
NO2(g) 1.626e-93 1.626e-93 1.000* -92.7888
Mg(g) 1.667e-101 1.667e-101 1.000* -100.7780
C(g) 4.696e-127 4.696e-127 1.000* -126.3283
Ca(g) 3.818e-128 3.818e-128 1.000* -127.4182
Al(g) 3.182e-150 3.182e-150 1.000* -149.4973
Si(g) 3.817e-162 3.817e-162 1.000* -161.4183
*no data, gas taken to be ideal
In fluid Sorbed
Original basis total moles moles mg/kg moles mg/kg
-------------------------------------------------------------------------------------------------
H2O 49.93 49.92 9.989e+05
Al+++ 0.0008519 8.764e-10 2.627e-05
Ca++ 0.0005789 6.108e-05 2.719
Cl- 0.01725 0.01725 679.2
Fe++ 0.008640 2.589e-05 1.606
H+ -0.01366 0.003473 3.888
HCO3- 0.002426 0.001323 89.68
HPO4-- 9.369e-12 9.369e-12 9.988e-07
K+ 4.192e-05 4.192e-05 1.820
Mg++ 0.01022 0.007129 192.5
Mn++ 1.637e-11 1.637e-11 9.988e-07
NH3(aq) 0.003475 0.003475 65.73
Na+ 0.0006158 0.0006158 15.73
Ni++ 0.0004346 3.987e-06 0.2599
O2(aq) -0.008702 -3.764e-06 -0.1338
SO4-- 0.004816 1.728e-07 0.01844
SiO2(aq) 0.009791 2.112e-05 1.409
In fluid Sorbed
Elemental composition total moles moles mg/kg moles mg/kg
-------------------------------------------------------------------------------------------------
Aluminum 0.0008519 8.764e-10 2.627e-05
Calcium 0.0005789 6.108e-05 2.719
Carbon 0.002426 0.001323 17.65
Chlorine 0.01725 0.01725 679.2
Hydrogen 99.86 99.86 1.118e+05
Iron 0.008640 2.589e-05 1.606
Magnesium 0.01022 0.007129 192.5
Manganese 1.637e-11 1.637e-11 9.988e-07
Nickel 0.0004346 3.987e-06 0.2599
Nitrogen 0.003475 0.003475 54.06
Oxygen 49.96 49.92 8.872e+05
Phosphorus 9.369e-12 9.369e-12 3.223e-07
Potassium 4.192e-05 4.192e-05 1.820
Silicon 0.009791 2.112e-05 0.6588
Sodium 0.0006158 0.0006158 15.73
Sulfur 0.004816 1.728e-07 0.006154
Step # 46 Xi = 0.0222
Temperature = 0.0 C Pressure = 1.013 bar
pH = 7.999 log fO2 = -81.401
Eh = -0.3028 volts pe = -5.5874
Ionic strength = 0.028583 molal
Activity of water = 0.999339
Solvent mass = 0.89932 kg
Solution mass = 0.90028 kg
Mineral mass = 0.0016666 kg
Fluid density = 1.001 g/cm3
compressibility = 4.825e-05 /bar
expansivity = 8.006e-05 /C
viscosity = 0.018 poise
Chlorinity = 0.019178 molal
Dissolved solids = 1070 mg/kg sol'n
Elect. conductivity = 2494.85 uS/cm (or umho/cm)
Hardness = 807.03 mg/kg sol'n as CaCO3
carbonate = 82.39 mg/kg sol'n as CaCO3
non-carbonate = 724.65 mg/kg sol'n as CaCO3
Carbonate alkalinity= 82.39 mg/kg sol'n as CaCO3
Water type = Mg-Cl
Bulk volume = 900. cm3
Fluid volume = 900. cm3
Mineral volume = 0.481 cm3
Inert volume = 0.00 cm3
Porosity = 99.9 %
Permeability = 96.9 cm2
Mass reacted = 2.73 g
moles moles grams cm3 rxn rate
Reactants remaining reacted reacted reacted (molal/sec)
---------------------------------------------------------------------------------------------------------
Al2O3 0.01899 0.0004319 0.04404 -- --
CH4(g) (fixed fug.) -0.02377 -0.3813 -- --
CO2(aq) 0.9989 0.02272 1.000 -- --
CaO 0.02581 0.0005870 0.03292 -- --
FeO 0.3851 0.008761 0.6295 0.1051 --
Formaldehyde(aq) 0.05856 0.001332 0.04000 -- --
H2S(aq) 0.000 0.000 0.000 -- --
HCN(aq) 0.000 0.000 0.000 -- --
K2O 0.0009342 2.125e-05 0.002002 0.0008582 --
Methanol(aq) 0.1098 0.002497 0.08001 -- --
MgO 0.4556 0.01036 0.4177 -- --
MnO 0.000 0.000 0.000 -- --
N2(g) 0.000 0.000 0.000 -- --
NH3(aq) 0.1549 0.003523 0.06000 -- --
Na2O 0.01372 0.0003122 0.01935 0.007806 --
NiO 0.01937 0.0004408 0.03292 -- --
P2O5 0.000 0.000 0.000 -- --
S 0.2147 0.004883 0.1566 0.07575 --
SO2(g) 0.000 0.000 0.000 -- --
SO4-- 0.000 0.000 0.000 -- --
SiO2 0.4364 0.009929 0.5966 -- --
Minerals in system moles log moles grams volume (cm3)
-------------------------------------------------------------------------------------------
Dolomite-ord 0.0005349 -3.272 0.09863 0.03441
Kaolinite 8.668e-06 -5.062 0.002238 0.0008626
Ni2SiO4 0.0002181 -3.661 0.04569 0.009294
Nontronite-Mg 0.001832 -2.737 0.7726 0.2378
Pyrrhotite 0.004883 -2.311 0.4293 0.08887
Quartz 0.0002575 -3.589 0.01547 0.005843
Saponite-Mg 0.0007330 -3.135 0.2807 0.09798
Siderite 0.0001897 -3.722 0.02198 0.005573
_____________ _____________
(total) 1.667 0.4806
Aqueous species molality mg/kg sol'n act. coef. log act.
------------------------------------------------------------------------------------------
Cl- 0.01910 676.4 0.8500 -1.7896
Mg++ 0.007840 190.3 0.5876 -2.3366
NH4+ 0.003890 70.09 0.8466 -2.4824
HCO3- 0.001537 93.71 0.8563 -2.8806
Na+ 0.0006911 15.87 0.8563 -3.2279
MgHCO3+ 8.512e-05 7.255 0.8563 -4.1374
MgCl+ 7.794e-05 4.653 0.8563 -4.1756
Ca++ 5.713e-05 2.287 0.5623 -4.4932
CO2(aq) 5.030e-05 2.211 1.0000 -4.2985
K+ 4.725e-05 1.845 0.8500 -4.3962
NH3(aq) 2.799e-05 0.4762 1.0000 -4.5529
Fe++ 2.651e-05 1.479 0.5623 -4.8266
SiO2(aq) 2.334e-05 1.401 1.0000 -4.6319
MgCO3(aq) 1.100e-05 0.9267 1.0000 -4.9585
CO3-- 5.762e-06 0.3454 0.5412 -5.5061
Ni++ 5.032e-06 0.2950 0.5623 -5.5483
NaHCO3(aq) 1.841e-06 0.1545 1.0000 -5.7350
NaCl(aq) 1.425e-06 0.08322 1.0000 -5.8461
Acetate 7.308e-07 0.04310 0.8593 -6.2021
Ethane(aq) 7.051e-07 0.02118 1.0000 -6.1518
CaHCO3+ 6.147e-07 0.06208 0.8563 -6.2787
FeCl+ 1.990e-07 0.01815 0.8563 -6.7685
HS- 1.828e-07 0.006038 0.8532 -6.8071
OH- 1.341e-07 0.002278 0.8532 -6.9415
CaCO3(aq) 1.326e-07 0.01326 1.0000 -6.8773
CaCl+ 1.293e-07 0.009757 0.8563 -6.9557
HSiO3- 1.290e-07 0.009936 0.8563 -6.9567
MgCH3COO+ 1.067e-07 0.008883 0.8563 -7.0393
H2S(aq) 4.076e-08 0.001388 1.0000 -7.3898
Formate 1.923e-08 0.0008647 0.8532 -7.7850
N2(aq) 1.840e-08 0.0005150 1.0000 -7.7351
NaCO3- 1.388e-08 0.001151 0.8563 -7.9248
KCl(aq) 1.272e-08 0.0009473 1.0000 -7.8955
H+ 1.138e-08 1.146e-05 0.8815 -7.9986
(only species > 1e-8 molal listed)
Mineral saturation states log Q/K log Q/K
-----------------------------------------------------------------------------------------------
Polydymite 18.4709s/sat Montmor-Na -0.7256
Heazlewoodite 11.2910s/sat Greenalite -0.8719
Vaesite 5.4489s/sat Coesite -0.8796
Pyrite 4.0586s/sat Maximum_Microcline -0.9310
Millerite 3.9155s/sat K-Feldspar -0.9354
C 2.8028s/sat Annite -0.9434
Diaspore 0.2237s/sat Stilbite -0.9555
Troilite 0.1079s/sat Illite -0.9965
Muscovite 0.0006s/sat Cristobalite(beta) -1.1306
Kaolinite 0.0000 sat Mesolite -1.1483
Siderite 0.0000 sat Nontronite-H -1.1632
Ni2SiO4 0.0000 sat Saponite-H -1.1654
Nontronite-Mg 0.0000 sat Beidellite-Mg -1.2407
Pyrrhotite 0.0000 sat Goethite -1.3512
Quartz 0.0000 sat SiO2(am) -1.5079
Saponite-Mg 0.0000 sat Beidellite-Ca -1.5853
Dolomite-ord 0.0000 sat Calcite -1.6009
Dolomite -0.0001 Smectite-low-Fe-Mg -1.6710
Daphnite-14A -0.0081 Ferrosilite -1.7265
Ice -0.0470 Dolomite-dis -1.7407
Montmor-Mg -0.0977 Aragonite -1.7467
Magnesite -0.1920 Hematite -1.7927
Tridymite -0.2064 Beidellite-K -1.8266
Boehmite -0.2245 Beidellite-Na -1.8623
Gibbsite -0.2378 Pyrophyllite -1.8789
Minnesotaite -0.2641 Cronstedtite-7A -1.9783
Chalcedony -0.2960 Ripidolite-14A -2.1114
Nontronite-Ca -0.3447 Smectite-high-Fe-Mg -2.2123
Saponite-Ca -0.3477 Phlogopite -2.2653
Celadonite -0.3619 Sanidine_high -2.3079
Montmor-Ca -0.5214 Magnetite -2.3802
Nontronite-K -0.5863 Monohydrocalcite -2.3868
Saponite-K -0.5891 Beidellite-H -2.4027
Cristobalite(alpha) -0.6106 Trevorite -2.4251
Nontronite-Na -0.6216 Dawsonite -2.5347
Saponite-Na -0.6246 Chamosite-7A -2.5625
Talc -0.6574 Chrysotile -2.7106
Montmor-K -0.6834 Scolecite -2.9500
(only minerals with log Q/K > -3 listed)
partial
Gases press. (bar) fugacity fug. coef. log fug.
-----------------------------------------------------------------------------------------
CH4(g) 100.2 100.0 0.9976 2.0000
H2O(g) 0.005489 0.005026 0.9156 -2.2988
CO2(g) 0.0006318 0.0006275 0.9932 -3.2024
N2(g) 1.730e-05 1.729e-05 0.9995 -4.7621
H2(g) 3.621e-06 3.624e-06 1.001 -5.4408
H2S(g) 1.892e-07 1.873e-07 0.9900 -6.7276
NH3(g) 1.199e-07 1.185e-07 0.9882 -6.9262
CO(g) 8.055e-13 8.055e-13 1.000* -12.0939
HCl(g) 5.446e-18 5.446e-18 1.000* -17.2639
C2H4(g) 8.787e-19 8.787e-19 1.000* -18.0562
S2(g) 1.148e-31 1.148e-31 1.000* -30.9399
SO2(g) 2.895e-32 2.833e-32 0.9786 -31.5478
NO(g) 3.460e-60 3.460e-60 1.000* -59.4609
Na(g) 1.271e-63 1.271e-63 1.000* -62.8959
K(g) 2.138e-65 2.138e-65 1.000* -64.6700
Cl2(g) 3.705e-66 3.705e-66 1.000* -65.4312
O2(g) 3.977e-82 3.974e-82 0.9990 -81.4008
NO2(g) 1.849e-93 1.849e-93 1.000* -92.7332
Mg(g) 1.408e-101 1.408e-101 1.000* -100.8513
C(g) 5.197e-127 5.197e-127 1.000* -126.2843
Ca(g) 2.723e-128 2.723e-128 1.000* -127.5649
Al(g) 9.165e-150 9.165e-150 1.000* -149.0379
Si(g) 3.449e-162 3.449e-162 1.000* -161.4623
*no data, gas taken to be ideal
In fluid Sorbed
Original basis total moles moles mg/kg moles mg/kg
-------------------------------------------------------------------------------------------------
H2O 49.93 49.92 9.989e+05
Al+++ 0.0008639 2.575e-09 7.717e-05
Ca++ 0.0005870 5.217e-05 2.322
Cl- 0.01725 0.01725 679.2
Fe++ 0.008761 2.402e-05 1.490
H+ -0.01377 0.003530 3.952
HCO3- 0.002784 0.001525 103.3
HPO4-- 9.369e-12 9.369e-12 9.988e-07
K+ 4.250e-05 4.250e-05 1.846
Mg++ 0.01036 0.007207 194.6
Mn++ 1.637e-11 1.637e-11 9.988e-07
NH3(aq) 0.003523 0.003523 66.65
Na+ 0.0006245 0.0006245 15.95
Ni++ 0.0004408 4.531e-06 0.2954
O2(aq) -0.008854 -4.130e-06 -0.1468
SO4-- 0.004883 2.010e-07 0.02145
SiO2(aq) 0.009929 2.111e-05 1.409
In fluid Sorbed
Elemental composition total moles moles mg/kg moles mg/kg
-------------------------------------------------------------------------------------------------
Aluminum 0.0008639 2.575e-09 7.717e-05
Calcium 0.0005870 5.217e-05 2.322
Carbon 0.002784 0.001525 20.34
Chlorine 0.01725 0.01725 679.2
Hydrogen 99.86 99.86 1.118e+05
Iron 0.008761 2.402e-05 1.490
Magnesium 0.01036 0.007207 194.6
Manganese 1.637e-11 1.637e-11 9.988e-07
Nickel 0.0004408 4.531e-06 0.2954
Nitrogen 0.003523 0.003523 54.82
Oxygen 49.96 49.92 8.872e+05
Phosphorus 9.369e-12 9.369e-12 3.223e-07
Potassium 4.250e-05 4.250e-05 1.846
Silicon 0.009929 2.111e-05 0.6586
Sodium 0.0006245 0.0006245 15.95
Sulfur 0.004883 2.010e-07 0.007160
Step # 54 Xi = 0.0258
Temperature = 0.0 C Pressure = 1.013 bar
pH = 8.008 log fO2 = -81.401
Eh = -0.3033 volts pe = -5.5968
Ionic strength = 0.028268 molal
Activity of water = 0.999339
Solvent mass = 0.89935 kg
Solution mass = 0.90032 kg
Mineral mass = 0.0021304 kg
Fluid density = 1.001 g/cm3
compressibility = 4.825e-05 /bar
expansivity = 8.006e-05 /C
viscosity = 0.018 poise
Chlorinity = 0.019178 molal
Dissolved solids = 1077 mg/kg sol'n
Elect. conductivity = 2515.74 uS/cm (or umho/cm)
Hardness = 771.58 mg/kg sol'n as CaCO3
carbonate = 83.96 mg/kg sol'n as CaCO3
non-carbonate = 687.62 mg/kg sol'n as CaCO3
Carbonate alkalinity= 83.96 mg/kg sol'n as CaCO3
Water type = Mg-Cl
Bulk volume = 900. cm3
Fluid volume = 900. cm3
Mineral volume = 0.627 cm3
Inert volume = 0.00 cm3
Porosity = 99.9 %
Permeability = 96.3 cm2
Mass reacted = 3.23 g
moles moles grams cm3 rxn rate
Reactants remaining reacted reacted reacted (molal/sec)
---------------------------------------------------------------------------------------------------------
Al2O3 0.01892 0.0005013 0.05111 -- --
CH4(g) (fixed fug.) -0.02352 -0.3774 -- --
CO2(aq) 0.9952 0.02637 1.161 -- --
CaO 0.02571 0.0006813 0.03820 -- --
FeO 0.3837 0.01017 0.7305 0.1220 --
Formaldehyde(aq) 0.05835 0.001546 0.04642 -- --
H2S(aq) 0.000 0.000 0.000 -- --
HCN(aq) 0.000 0.000 0.000 -- --
K2O 0.0009308 2.466e-05 0.002323 0.0009959 --
Methanol(aq) 0.1094 0.002898 0.09285 -- --
MgO 0.4539 0.01203 0.4848 -- --
MnO 0.000 0.000 0.000 -- --
N2(g) 0.000 0.000 0.000 -- --
NH3(aq) 0.1543 0.004089 0.06964 -- --
Na2O 0.01367 0.0003624 0.02246 0.009059 --
NiO 0.01930 0.0005115 0.03820 -- --
P2O5 0.000 0.000 0.000 -- --
S 0.2139 0.005667 0.1817 0.08791 --
SO2(g) 0.000 0.000 0.000 -- --
SO4-- 0.000 0.000 0.000 -- --
SiO2 0.4349 0.01152 0.6923 -- --
Minerals in system moles log moles grams volume (cm3)
-------------------------------------------------------------------------------------------
Dolomite-ord 0.0006314 -3.200 0.1164 0.04063
Kaolinite 0.0002664 -3.575 0.06877 0.02651
Ni2SiO4 0.0002536 -3.596 0.05312 0.01081
Pyrrhotite 0.005667 -2.247 0.4982 0.1031
Quartz 0.005490 -2.260 0.3299 0.1246
Saponite-Mg 0.001424 -2.847 0.5451 0.1903
Siderite 0.004478 -2.349 0.5188 0.1316
_____________ _____________
(total) 2.130 0.6275
Aqueous species molality mg/kg sol'n act. coef. log act.
------------------------------------------------------------------------------------------
Cl- 0.01910 676.5 0.8506 -1.7892
Mg++ 0.007493 181.9 0.5888 -2.3554
NH4+ 0.004513 81.32 0.8472 -2.4175
HCO3- 0.001570 95.69 0.8569 -2.8712
Na+ 0.0008019 18.42 0.8569 -3.1629
MgHCO3+ 8.324e-05 7.095 0.8569 -4.1467
MgCl+ 7.466e-05 4.457 0.8569 -4.1940
K+ 5.483e-05 2.142 0.8506 -4.3312
Ca++ 5.458e-05 2.185 0.5636 -4.5120
CO2(aq) 5.030e-05 2.211 1.0000 -4.2985
NH3(aq) 3.322e-05 0.5651 1.0000 -4.4786
Fe++ 2.533e-05 1.413 0.5636 -4.8454
SiO2(aq) 2.334e-05 1.401 1.0000 -4.6319
MgCO3(aq) 1.100e-05 0.9267 1.0000 -4.9585
CO3-- 6.000e-06 0.3597 0.5426 -5.4873
Ni++ 4.808e-06 0.2819 0.5636 -5.5671
NaHCO3(aq) 2.184e-06 0.1833 1.0000 -5.6607
NaCl(aq) 1.657e-06 0.09672 1.0000 -5.7808
Acetate 7.462e-07 0.04401 0.8598 -6.1927
Ethane(aq) 7.051e-07 0.02118 1.0000 -6.1518
CaHCO3+ 6.012e-07 0.06071 0.8569 -6.2881
FeCl+ 1.906e-07 0.01739 0.8569 -6.7869
HS- 1.866e-07 0.006165 0.8538 -6.7977
OH- 1.369e-07 0.002326 0.8538 -6.9321
CaCO3(aq) 1.326e-07 0.01326 1.0000 -6.8773
HSiO3- 1.318e-07 0.01015 0.8569 -6.9473
CaCl+ 1.239e-07 0.009346 0.8569 -6.9741
MgCH3COO+ 1.043e-07 0.008687 0.8569 -7.0487
H2S(aq) 4.076e-08 0.001388 1.0000 -7.3898
N2(aq) 2.591e-08 0.0007251 1.0000 -7.5865
Formate 1.963e-08 0.0008829 0.8538 -7.7756
NaCO3- 1.682e-08 0.001395 0.8569 -7.8412
KCl(aq) 1.479e-08 0.001101 1.0000 -7.8302
H+ 1.113e-08 1.121e-05 0.8819 -8.0080
(only species > 1e-8 molal listed)
Mineral saturation states log Q/K log Q/K
-----------------------------------------------------------------------------------------------
Polydymite 18.4709s/sat Montmor-Na -0.7011
Heazlewoodite 11.2910s/sat Maximum_Microcline -0.8566
Vaesite 5.4489s/sat K-Feldspar -0.8610
Pyrite 4.0586s/sat Annite -0.8691
Millerite 3.9155s/sat Greenalite -0.8719
C 2.8028s/sat Coesite -0.8796
Diaspore 0.2237s/sat Stilbite -0.9450
Troilite 0.1079s/sat Illite -0.9518
Muscovite 0.0750s/sat Mesolite -1.0981
Pyrrhotite 0.0000 sat Cristobalite(beta) -1.1306
Dolomite-ord 0.0000 sat Nontronite-H -1.1632
Siderite 0.0000 sat Saponite-H -1.1654
Quartz 0.0000 sat Beidellite-Mg -1.2407
Kaolinite 0.0000 sat Goethite -1.3512
Saponite-Mg 0.0000 sat SiO2(am) -1.5079
Ni2SiO4 0.0000 sat Beidellite-Ca -1.5853
Nontronite-Mg -0.0000 sat Calcite -1.6009
Dolomite -0.0001 Smectite-low-Fe-Mg -1.6450
Daphnite-14A -0.0081 Ferrosilite -1.7265
Ice -0.0470 Dolomite-dis -1.7407
Montmor-Mg -0.0977 Aragonite -1.7467
Magnesite -0.1920 Hematite -1.7927
Tridymite -0.2064 Beidellite-K -1.8021
Boehmite -0.2245 Beidellite-Na -1.8377
Gibbsite -0.2378 Pyrophyllite -1.8789
Minnesotaite -0.2641 Cronstedtite-7A -1.9783
Celadonite -0.2875 Ripidolite-14A -2.1114
Chalcedony -0.2960 Smectite-high-Fe-Mg -2.1900
Nontronite-Ca -0.3447 Phlogopite -2.1909
Saponite-Ca -0.3477 Sanidine_high -2.2335
Montmor-Ca -0.5214 Magnetite -2.3802
Nontronite-K -0.5618 Monohydrocalcite -2.3868
Saponite-K -0.5646 Beidellite-H -2.4027
Nontronite-Na -0.5970 Trevorite -2.4251
Saponite-Na -0.6000 Dawsonite -2.4604
Cristobalite(alpha) -0.6106 Chamosite-7A -2.5625
Talc -0.6574 Chrysotile -2.7106
Montmor-K -0.6589 Scolecite -2.9500
(only minerals with log Q/K > -3 listed)
partial
Gases press. (bar) fugacity fug. coef. log fug.
-----------------------------------------------------------------------------------------
CH4(g) 100.2 100.0 0.9976 2.0000
H2O(g) 0.005489 0.005026 0.9156 -2.2988
CO2(g) 0.0006318 0.0006275 0.9932 -3.2024
N2(g) 2.436e-05 2.435e-05 0.9995 -4.6135
H2(g) 3.621e-06 3.624e-06 1.001 -5.4408
H2S(g) 1.892e-07 1.873e-07 0.9900 -6.7276
NH3(g) 1.423e-07 1.406e-07 0.9882 -6.8519
CO(g) 8.055e-13 8.055e-13 1.000* -12.0939
HCl(g) 5.335e-18 5.335e-18 1.000* -17.2729
C2H4(g) 8.787e-19 8.787e-19 1.000* -18.0562
S2(g) 1.148e-31 1.148e-31 1.000* -30.9399
SO2(g) 2.895e-32 2.833e-32 0.9786 -31.5478
NO(g) 4.106e-60 4.106e-60 1.000* -59.3866
Na(g) 1.508e-63 1.508e-63 1.000* -62.8216
K(g) 2.537e-65 2.537e-65 1.000* -64.5956
Cl2(g) 3.555e-66 3.555e-66 1.000* -65.4492
O2(g) 3.977e-82 3.974e-82 0.9990 -81.4008
NO2(g) 2.193e-93 2.193e-93 1.000* -92.6589
Mg(g) 1.408e-101 1.408e-101 1.000* -100.8513
C(g) 5.197e-127 5.197e-127 1.000* -126.2843
Ca(g) 2.723e-128 2.723e-128 1.000* -127.5649
Al(g) 9.165e-150 9.165e-150 1.000* -149.0379
Si(g) 3.449e-162 3.449e-162 1.000* -161.4623
*no data, gas taken to be ideal
In fluid Sorbed
Original basis total moles moles mg/kg moles mg/kg
-------------------------------------------------------------------------------------------------
H2O 49.93 49.92 9.989e+05
Al+++ 0.001003 2.624e-09 7.863e-05
Ca++ 0.0006813 4.986e-05 2.220
Cl- 0.01725 0.01725 679.2
Fe++ 0.01017 2.295e-05 1.424
H+ -0.01468 0.004091 4.580
HCO3- 0.007294 0.001553 105.2
HPO4-- 9.369e-12 9.369e-12 9.988e-07
K+ 4.933e-05 4.933e-05 2.142
Mg++ 0.01203 0.006891 186.0
Mn++ 1.637e-11 1.637e-11 9.988e-07
NH3(aq) 0.004089 0.004089 77.35
Na+ 0.0007247 0.0007247 18.51
Ni++ 0.0005115 4.330e-06 0.2822
O2(aq) -0.01134 -4.153e-06 -0.1476
SO4-- 0.005667 2.045e-07 0.02182
SiO2(aq) 0.01152 2.112e-05 1.409
In fluid Sorbed
Elemental composition total moles moles mg/kg moles mg/kg
-------------------------------------------------------------------------------------------------
Aluminum 0.001003 2.624e-09 7.863e-05
Calcium 0.0006813 4.986e-05 2.220
Carbon 0.007294 0.001553 20.72
Chlorine 0.01725 0.01725 679.2
Hydrogen 99.87 99.86 1.118e+05
Iron 0.01017 2.295e-05 1.424
Magnesium 0.01203 0.006891 186.0
Manganese 1.637e-11 1.637e-11 9.988e-07
Nickel 0.0005115 4.330e-06 0.2822
Nitrogen 0.004089 0.004089 63.61
Oxygen 49.98 49.93 8.872e+05
Phosphorus 9.369e-12 9.369e-12 3.223e-07
Potassium 4.933e-05 4.933e-05 2.142
Silicon 0.01152 2.112e-05 0.6587
Sodium 0.0007247 0.0007247 18.51
Sulfur 0.005667 2.045e-07 0.007283
Step # 76 Xi = 0.0271
Temperature = 0.0 C Pressure = 1.013 bar
pH = 8.001 log fO2 = -81.305
Eh = -0.3016 volts pe = -5.5657
Ionic strength = 0.029380 molal
Activity of water = 0.999339
Solvent mass = 0.89935 kg
Solution mass = 0.90038 kg
Mineral mass = 0.0022492 kg
Fluid density = 1.001 g/cm3
compressibility = 4.825e-05 /bar
expansivity = 8.005e-05 /C
viscosity = 0.018 poise
Chlorinity = 0.019178 molal
Dissolved solids = 1145 mg/kg sol'n
Elect. conductivity = 2584.74 uS/cm (or umho/cm)
Hardness = 804.64 mg/kg sol'n as CaCO3
carbonate = 128.96 mg/kg sol'n as CaCO3
non-carbonate = 675.68 mg/kg sol'n as CaCO3
Carbonate alkalinity= 128.96 mg/kg sol'n as CaCO3
Water type = Mg-Cl
Bulk volume = 900. cm3
Fluid volume = 900. cm3
Mineral volume = 0.664 cm3
Inert volume = 0.00 cm3
Porosity = 99.9 %
Permeability = 96.2 cm2
Mass reacted = 3.41 g
moles moles grams cm3 rxn rate
Reactants remaining reacted reacted reacted (molal/sec)
---------------------------------------------------------------------------------------------------------
Al2O3 0.01889 0.0005256 0.05359 -- --
CH4(g) (fixed fug.) -0.02360 -0.3785 -- --
CO2(aq) 0.9940 0.02765 1.217 -- --
CaO 0.02568 0.0007144 0.04006 -- --
FeO 0.3832 0.01066 0.7660 0.1279 --
Formaldehyde(aq) 0.05827 0.001621 0.04868 -- --
H2S(aq) 0.000 0.000 0.000 -- --
HCN(aq) 0.000 0.000 0.000 -- --
K2O 0.0009296 2.586e-05 0.002436 0.001044 --
Methanol(aq) 0.1092 0.003038 0.09736 -- --
MgO 0.4533 0.01261 0.5083 -- --
MnO 0.000 0.000 0.000 -- --
N2(g) 0.000 0.000 0.000 -- --
NH3(aq) 0.1541 0.004288 0.07302 -- --
Na2O 0.01366 0.0003799 0.02355 0.009499 --
NiO 0.01928 0.0005364 0.04006 -- --
P2O5 0.000 0.000 0.000 -- --
S 0.2136 0.005943 0.1906 0.09218 --
SO2(g) 0.000 0.000 0.000 -- --
SO4-- 0.000 0.000 0.000 -- --
SiO2 0.4343 0.01208 0.7260 -- --
Minerals in system moles log moles grams volume (cm3)
-------------------------------------------------------------------------------------------
Dolomite-ord 0.0006928 -3.159 0.1277 0.04457
Kaolinite 0.0002930 -3.533 0.07564 0.02916
Magnesite 0.0002404 -3.619 0.02027 0.006736
Ni2SiO4 0.0002659 -3.575 0.05570 0.01133
Pyrrhotite 0.005942 -2.226 0.5224 0.1082
Quartz 0.006035 -2.219 0.3626 0.1369
Saponite-Mg 0.001410 -2.851 0.5399 0.1884
Siderite 0.004704 -2.328 0.5450 0.1382
_____________ _____________
(total) 2.249 0.6635
Aqueous species molality mg/kg sol'n act. coef. log act.
------------------------------------------------------------------------------------------
Cl- 0.01910 676.3 0.8483 -1.7904
Mg++ 0.007798 189.3 0.5847 -2.3411
NH4+ 0.004733 85.28 0.8449 -2.3980
HCO3- 0.002409 146.8 0.8548 -2.6863
Na+ 0.0008397 19.28 0.8548 -3.1440
MgHCO3+ 0.0001320 11.25 0.8548 -3.9476
CO2(aq) 7.825e-05 3.440 1.0000 -4.1065
MgCl+ 7.713e-05 4.604 0.8548 -4.1809
K+ 5.750e-05 2.245 0.8483 -4.3118
NH3(aq) 3.417e-05 0.5813 1.0000 -4.4663
Ca++ 2.349e-05 0.9405 0.5589 -4.8817
SiO2(aq) 2.334e-05 1.401 1.0000 -4.6319
MgCO3(aq) 1.712e-05 1.442 1.0000 -4.7665
Fe++ 1.697e-05 0.9464 0.5589 -5.0231
CO3-- 9.120e-06 0.5467 0.5375 -5.3096
Ni++ 5.010e-06 0.2937 0.5589 -5.5528
NaHCO3(aq) 3.492e-06 0.2930 1.0000 -5.4569
NaCl(aq) 1.726e-06 0.1007 1.0000 -5.7630
Acetate 1.145e-06 0.06751 0.8579 -6.0079
Ethane(aq) 7.874e-07 0.02365 1.0000 -6.1038
CaHCO3+ 3.937e-07 0.03976 0.8548 -6.4729
HS- 2.863e-07 0.009460 0.8517 -6.6128
MgCH3COO+ 1.654e-07 0.01377 0.8548 -6.8495
OH- 1.350e-07 0.002294 0.8517 -6.9393
HSiO3- 1.299e-07 0.01000 0.8548 -6.9545
FeCl+ 1.266e-07 0.01154 0.8548 -6.9658
CaCO3(aq) 8.525e-08 0.008523 1.0000 -7.0693
H2S(aq) 6.342e-08 0.002159 1.0000 -7.1978
CaCl+ 5.286e-08 0.003988 0.8548 -7.3450
N2(aq) 3.821e-08 0.001069 1.0000 -7.4179
Formate 2.697e-08 0.001213 0.8517 -7.6388
NaCO3- 2.652e-08 0.002199 0.8548 -7.6445
KCl(aq) 1.542e-08 0.001148 1.0000 -7.8119
H+ 1.134e-08 1.141e-05 0.8805 -8.0008
(only species > 1e-8 molal listed)
Mineral saturation states log Q/K log Q/K
-----------------------------------------------------------------------------------------------
Polydymite 19.2868s/sat Coesite -0.8796
Heazlewoodite 11.6269s/sat Nontronite-K -0.8937
Vaesite 5.8808s/sat Nontronite-Na -0.9291
Pyrite 4.2986s/sat Illite -0.9445
Millerite 4.1075s/sat Daphnite-14A -0.9680
C 2.8988s/sat Cristobalite(beta) -1.1306
Diaspore 0.2237s/sat Saponite-H -1.1654
Troilite 0.1079s/sat Beidellite-Mg -1.2407
Muscovite 0.0873s/sat Stilbite -1.3345
Pyrrhotite 0.0000 sat Mesolite -1.3424
Saponite-Mg 0.0000 sat Annite -1.4327
Ni2SiO4 0.0000 sat Greenalite -1.4478
Kaolinite 0.0000 sat Nontronite-H -1.4992
Quartz 0.0000 sat SiO2(am) -1.5079
Siderite 0.0000 sat Goethite -1.5191
Magnesite 0.0000 sat Beidellite-Ca -1.6486
Dolomite-ord 0.0000 sat Smectite-low-Fe-Mg -1.7310
Dolomite -0.0001 Dolomite-dis -1.7407
Ice -0.0470 Calcite -1.7929
Montmor-Mg -0.0977 Beidellite-K -1.7980
Tridymite -0.2064 Beidellite-Na -1.8339
Boehmite -0.2245 Pyrophyllite -1.8789
Gibbsite -0.2378 Ferrosilite -1.9185
Celadonite -0.2752 Aragonite -1.9387
Chalcedony -0.2960 Hematite -2.1287
Nontronite-Mg -0.3360 Phlogopite -2.1786
Saponite-Ca -0.4111 Sanidine_high -2.2212
Saponite-K -0.5605 Dawsonite -2.2566
Montmor-Ca -0.5848 Smectite-high-Fe-Mg -2.3256
Saponite-Na -0.5961 Beidellite-H -2.4027
Cristobalite(alpha) -0.6106 Ripidolite-14A -2.4954
Montmor-K -0.6548 Monohydrocalcite -2.5788
Talc -0.6574 Cronstedtite-7A -2.6983
Montmor-Na -0.6972 Chrysotile -2.7106
Nontronite-Ca -0.7441 Trevorite -2.7610
Minnesotaite -0.8400 Magnetite -2.9082
Maximum_Microcline -0.8443 Chamosite-7A -2.9464
K-Feldspar -0.8487
(only minerals with log Q/K > -3 listed)
partial
Gases press. (bar) fugacity fug. coef. log fug.
-----------------------------------------------------------------------------------------
CH4(g) 100.2 100.0 0.9976 2.0000
H2O(g) 0.005489 0.005026 0.9156 -2.2988
CO2(g) 0.0009830 0.0009763 0.9932 -3.0104
N2(g) 3.592e-05 3.590e-05 0.9995 -4.4449
H2(g) 3.242e-06 3.245e-06 1.001 -5.4888
H2S(g) 2.943e-07 2.914e-07 0.9900 -6.5356
NH3(g) 1.464e-07 1.447e-07 0.9882 -6.8396
CO(g) 1.122e-12 1.122e-12 1.000* -11.9499
HCl(g) 5.408e-18 5.408e-18 1.000* -17.2670
C2H4(g) 1.096e-18 1.096e-18 1.000* -17.9602
S2(g) 3.468e-31 3.468e-31 1.000* -30.4600
SO2(g) 6.275e-32 6.140e-32 0.9786 -31.2118
NO(g) 5.568e-60 5.568e-60 1.000* -59.2543
Na(g) 1.466e-63 1.466e-63 1.000* -62.8338
K(g) 2.470e-65 2.470e-65 1.000* -64.6073
Cl2(g) 4.080e-66 4.080e-66 1.000* -65.3893
O2(g) 4.961e-82 4.956e-82 0.9990 -81.3048
NO2(g) 3.322e-93 3.322e-93 1.000* -92.4786
Mg(g) 1.261e-101 1.261e-101 1.000* -100.8993
C(g) 6.482e-127 6.482e-127 1.000* -126.1883
Ca(g) 1.007e-128 1.007e-128 1.000* -127.9968
Al(g) 7.765e-150 7.765e-150 1.000* -149.1099
Si(g) 2.765e-162 2.765e-162 1.000* -161.5583
*no data, gas taken to be ideal
In fluid Sorbed
Original basis total moles moles mg/kg moles mg/kg
-------------------------------------------------------------------------------------------------
H2O 49.93 49.92 9.989e+05
Al+++ 0.001051 2.591e-09 7.765e-05
Ca++ 0.0007144 2.161e-05 0.9619
Cl- 0.01725 0.01725 679.1
Fe++ 0.01066 1.537e-05 0.9534
H+ -0.01517 0.004306 4.820
HCO3- 0.008716 0.002386 161.7
HPO4-- 9.369e-12 9.369e-12 9.987e-07
K+ 5.172e-05 5.172e-05 2.246
Mg++ 0.01261 0.007217 194.8
Mn++ 1.637e-11 1.637e-11 9.987e-07
NH3(aq) 0.004288 0.004288 81.10
Na+ 0.0007599 0.0007599 19.40
Ni++ 0.0005364 4.512e-06 0.2941
O2(aq) -0.01189 -5.456e-06 -0.1939
SO4-- 0.005943 3.146e-07 0.03356
SiO2(aq) 0.01208 2.111e-05 1.409
In fluid Sorbed
Elemental composition total moles moles mg/kg moles mg/kg
-------------------------------------------------------------------------------------------------
Aluminum 0.001051 2.591e-09 7.765e-05
Calcium 0.0007144 2.161e-05 0.9619
Carbon 0.008716 0.002386 31.83
Chlorine 0.01725 0.01725 679.1
Hydrogen 99.87 99.86 1.118e+05
Iron 0.01066 1.537e-05 0.9534
Magnesium 0.01261 0.007217 194.8
Manganese 1.637e-11 1.637e-11 9.987e-07
Nickel 0.0005364 4.512e-06 0.2941
Nitrogen 0.004288 0.004288 66.70
Oxygen 49.98 49.93 8.872e+05
Phosphorus 9.369e-12 9.369e-12 3.223e-07
Potassium 5.172e-05 5.172e-05 2.246
Silicon 0.01208 2.111e-05 0.6586
Sodium 0.0007599 0.0007599 19.40
Sulfur 0.005943 3.146e-07 0.01120
Step # 91 Xi = 0.0392
Temperature = 0.0 C Pressure = 1.013 bar
pH = 8.034 log fO2 = -81.305
Eh = -0.3034 volts pe = -5.5988
Ionic strength = 0.028430 molal
Activity of water = 0.999339
Solvent mass = 0.89938 kg
Solution mass = 0.90043 kg
Mineral mass = 0.0038812 kg
Fluid density = 1.001 g/cm3
compressibility = 4.825e-05 /bar
expansivity = 8.005e-05 /C
viscosity = 0.018 poise
Chlorinity = 0.019177 molal
Dissolved solids = 1176 mg/kg sol'n
Elect. conductivity = 2661.91 uS/cm (or umho/cm)
Hardness = 687.90 mg/kg sol'n as CaCO3
carbonate = 138.01 mg/kg sol'n as CaCO3
non-carbonate = 549.88 mg/kg sol'n as CaCO3
Carbonate alkalinity= 138.01 mg/kg sol'n as CaCO3
Water type = Mg-Cl
Bulk volume = 901. cm3
Fluid volume = 900. cm3
Mineral volume = 1.18 cm3
Inert volume = 0.00 cm3
Porosity = 99.9 %
Permeability = 94.3 cm2
Mass reacted = 5.09 g
moles moles grams cm3 rxn rate
Reactants remaining reacted reacted reacted (molal/sec)
---------------------------------------------------------------------------------------------------------
Al2O3 0.01866 0.0007612 0.07762 -- --
CH4(g) (fixed fug.) -0.02431 -0.3901 -- --
CO2(aq) 0.9816 0.04005 1.762 -- --
CaO 0.02536 0.001035 0.05802 -- --
FeO 0.3785 0.01544 1.109 0.1853 --
Formaldehyde(aq) 0.05755 0.002348 0.07050 -- --
H2S(aq) 0.000 0.000 0.000 -- --
HCN(aq) 0.000 0.000 0.000 -- --
K2O 0.0009180 3.745e-05 0.003528 0.001512 --
Methanol(aq) 0.1079 0.004400 0.1410 -- --
MgO 0.4477 0.01827 0.7362 -- --
MnO 0.000 0.000 0.000 -- --
N2(g) 0.000 0.000 0.000 -- --
NH3(aq) 0.1522 0.006209 0.1057 -- --
Na2O 0.01349 0.0005502 0.03410 0.01376 --
NiO 0.01904 0.0007768 0.05802 -- --
P2O5 0.000 0.000 0.000 -- --
S 0.2109 0.008606 0.2760 0.1335 --
SO2(g) 0.000 0.000 0.000 -- --
SO4-- 0.000 0.000 0.000 -- --
SiO2 0.4289 0.01750 1.051 -- --
Minerals in system moles log moles grams volume (cm3)
-------------------------------------------------------------------------------------------
Dolomite-ord 0.001016 -2.993 0.1874 0.06538
Kaolinite 0.0007612 -3.118 0.1965 0.07576
Magnesite 0.01108 -1.955 0.9341 0.3104
Ni2SiO4 0.0003865 -3.413 0.08095 0.01647
Pyrrhotite 0.008606 -2.065 0.7566 0.1566
Quartz 0.01557 -1.808 0.9354 0.3532
Siderite 0.006822 -2.166 0.7903 0.2004
_____________ _____________
(total) 3.881 1.178
Aqueous species molality mg/kg sol'n act. coef. log act.
------------------------------------------------------------------------------------------
Cl- 0.01911 676.6 0.8503 -1.7892
NH4+ 0.006850 123.4 0.8469 -2.2365
Mg++ 0.006655 161.6 0.5882 -2.4073
HCO3- 0.002594 158.1 0.8566 -2.6532
Na+ 0.001216 27.91 0.8566 -2.9824
MgHCO3+ 0.0001220 10.40 0.8566 -3.9808
K+ 8.327e-05 3.252 0.8503 -4.1500
CO2(aq) 7.825e-05 3.440 1.0000 -4.1065
MgCl+ 6.627e-05 3.955 0.8566 -4.2459
NH3(aq) 5.350e-05 0.9101 1.0000 -4.2716
SiO2(aq) 2.334e-05 1.401 1.0000 -4.6319
Ca++ 2.003e-05 0.8018 0.5629 -4.9479
MgCO3(aq) 1.712e-05 1.442 1.0000 -4.7665
Fe++ 1.446e-05 0.8067 0.5629 -5.0893
CO3-- 1.054e-05 0.6316 0.5419 -5.2434
NaHCO3(aq) 5.467e-06 0.4587 1.0000 -5.2623
Ni++ 4.271e-06 0.2504 0.5629 -5.6191
NaCl(aq) 2.510e-06 0.1465 1.0000 -5.6003
Acetate 1.233e-06 0.07272 0.8596 -5.9747
Ethane(aq) 7.874e-07 0.02365 1.0000 -6.1038
CaHCO3+ 3.641e-07 0.03676 0.8566 -6.5061
HS- 3.084e-07 0.01019 0.8535 -6.5797
MgCH3COO+ 1.530e-07 0.01273 0.8566 -6.8827
OH- 1.454e-07 0.002471 0.8535 -6.9061
HSiO3- 1.399e-07 0.01077 0.8566 -6.9213
FeCl+ 1.087e-07 0.009916 0.8566 -7.0308
N2(aq) 9.366e-08 0.002621 1.0000 -7.0285
CaCO3(aq) 8.525e-08 0.008523 1.0000 -7.0693
H2S(aq) 6.342e-08 0.002159 1.0000 -7.1978
CaCl+ 4.541e-08 0.003426 0.8566 -7.4100
NaCO3- 4.472e-08 0.003707 0.8566 -7.4167
Formate 2.905e-08 0.001306 0.8535 -7.6057
KCl(aq) 2.244e-08 0.001671 1.0000 -7.6489
H+ 1.049e-08 1.056e-05 0.8817 -8.0340
NH4CH3COO(aq) 1.047e-08 0.0008058 1.0000 -7.9802
NaHSiO3(aq) 1.013e-08 0.001012 1.0000 -7.9945
(only species > 1e-8 molal listed)
Mineral saturation states log Q/K log Q/K
-----------------------------------------------------------------------------------------------
Polydymite 19.2868s/sat Minnesotaite -0.8400
Heazlewoodite 11.6269s/sat Nontronite-Na -0.8649
Vaesite 5.8808s/sat Coesite -0.8796
Pyrite 4.2986s/sat Daphnite-14A -0.9680
Millerite 4.1075s/sat Cristobalite(beta) -1.1306
C 2.8988s/sat Saponite-H -1.1654
Muscovite 0.2822s/sat Mesolite -1.2108
Diaspore 0.2237s/sat Annite -1.2378
Troilite 0.1079s/sat Beidellite-Mg -1.2407
Dolomite-ord 0.0000 sat Stilbite -1.3069
Siderite 0.0000 sat Greenalite -1.4478
Magnesite 0.0000 sat Nontronite-H -1.4992
Kaolinite 0.0000 sat SiO2(am) -1.5079
Ni2SiO4 0.0000 sat Goethite -1.5191
Pyrrhotite 0.0000 sat Beidellite-Ca -1.6486
Quartz 0.0000 sat Smectite-low-Fe-Mg -1.6628
Saponite-Mg -0.0000 sat Beidellite-K -1.7337
Dolomite -0.0001 Dolomite-dis -1.7407
Ice -0.0470 Beidellite-Na -1.7696
Celadonite -0.0803 Calcite -1.7929
Montmor-Mg -0.0977 Pyrophyllite -1.8789
Tridymite -0.2064 Ferrosilite -1.9185
Boehmite -0.2245 Aragonite -1.9387
Gibbsite -0.2378 Phlogopite -1.9837
Chalcedony -0.2960 Sanidine_high -2.0263
Nontronite-Mg -0.3360 Dawsonite -2.0619
Saponite-Ca -0.4111 Hematite -2.1287
Saponite-K -0.4962 Smectite-high-Fe-Mg -2.2671
Saponite-Na -0.5319 Beidellite-H -2.4027
Montmor-Ca -0.5848 Ripidolite-14A -2.4954
Montmor-K -0.5905 Monohydrocalcite -2.5788
Cristobalite(alpha) -0.6106 Cronstedtite-7A -2.6983
Montmor-Na -0.6330 Chrysotile -2.7106
Maximum_Microcline -0.6494 Trevorite -2.7610
K-Feldspar -0.6538 Magnetite -2.9082
Talc -0.6574 Chamosite-7A -2.9464
Nontronite-Ca -0.7441 Analcime -2.9645
Illite -0.8275 Albite_low -2.9760
Nontronite-K -0.8293 Albite -2.9760
(only minerals with log Q/K > -3 listed)
partial
Gases press. (bar) fugacity fug. coef. log fug.
-----------------------------------------------------------------------------------------
CH4(g) 100.2 100.0 0.9976 2.0000
H2O(g) 0.005489 0.005026 0.9156 -2.2988
CO2(g) 0.0009830 0.0009763 0.9932 -3.0104
N2(g) 8.805e-05 8.801e-05 0.9995 -4.0555
H2(g) 3.242e-06 3.245e-06 1.001 -5.4888
H2S(g) 2.943e-07 2.914e-07 0.9900 -6.5356
NH3(g) 2.292e-07 2.265e-07 0.9882 -6.6449
CO(g) 1.122e-12 1.122e-12 1.000* -11.9499
HCl(g) 5.025e-18 5.025e-18 1.000* -17.2989
C2H4(g) 1.096e-18 1.096e-18 1.000* -17.9602
S2(g) 3.468e-31 3.468e-31 1.000* -30.4600
SO2(g) 6.275e-32 6.140e-32 0.9786 -31.2118
NO(g) 8.718e-60 8.718e-60 1.000* -59.0596
Na(g) 2.295e-63 2.295e-63 1.000* -62.6392
K(g) 3.869e-65 3.869e-65 1.000* -64.4124
Cl2(g) 3.523e-66 3.523e-66 1.000* -65.4531
O2(g) 4.961e-82 4.956e-82 0.9990 -81.3048
NO2(g) 5.202e-93 5.202e-93 1.000* -92.2839
Mg(g) 1.261e-101 1.261e-101 1.000* -100.8993
C(g) 6.482e-127 6.482e-127 1.000* -126.1883
Ca(g) 1.007e-128 1.007e-128 1.000* -127.9968
Al(g) 7.765e-150 7.765e-150 1.000* -149.1099
Si(g) 2.765e-162 2.765e-162 1.000* -161.5583
*no data, gas taken to be ideal
In fluid Sorbed
Original basis total moles moles mg/kg moles mg/kg
-------------------------------------------------------------------------------------------------
H2O 49.93 49.92 9.988e+05
Al+++ 0.001522 2.771e-09 8.302e-05
Ca++ 0.001035 1.846e-05 0.8216
Cl- 0.01725 0.01725 679.1
Fe++ 0.01544 1.311e-05 0.8128
H+ -0.01984 0.006209 6.950
HCO3- 0.02248 0.002547 172.6
HPO4-- 9.369e-12 9.369e-12 9.987e-07
K+ 7.491e-05 7.491e-05 3.253
Mg++ 0.01827 0.006170 166.5
Mn++ 1.637e-11 1.637e-11 9.987e-07
NH3(aq) 0.006209 0.006209 117.4
Na+ 0.001100 0.001100 28.10
Ni++ 0.0007768 3.848e-06 0.2508
O2(aq) -0.01722 -5.570e-06 -0.1980
SO4-- 0.008606 3.344e-07 0.03567
SiO2(aq) 0.01750 2.113e-05 1.410
In fluid Sorbed
Elemental composition total moles moles mg/kg moles mg/kg
-------------------------------------------------------------------------------------------------
Aluminum 0.001522 2.771e-09 8.302e-05
Calcium 0.001035 1.846e-05 0.8216
Carbon 0.02248 0.002547 33.98
Chlorine 0.01725 0.01725 679.1
Hydrogen 99.88 99.87 1.118e+05
Iron 0.01544 1.311e-05 0.8128
Magnesium 0.01827 0.006170 166.5
Manganese 1.637e-11 1.637e-11 9.987e-07
Nickel 0.0007768 3.848e-06 0.2508
Nitrogen 0.006209 0.006209 96.59
Oxygen 50.03 49.93 8.872e+05
Phosphorus 9.369e-12 9.369e-12 3.223e-07
Potassium 7.491e-05 7.491e-05 3.253
Silicon 0.01750 2.113e-05 0.6590
Sodium 0.001100 0.001100 28.10
Sulfur 0.008606 3.344e-07 0.01191
Step # 176 Xi = 0.1000
Temperature = 0.0 C Pressure = 1.013 bar
pH = 6.884 log fO2 = -80.230
Eh = -0.2266 volts pe = -4.1806
Ionic strength = 0.058235 molal
Activity of water = 0.999340
Solvent mass = 0.89921 kg
Solution mass = 0.90256 kg
Mineral mass = 0.010204 kg
Fluid density = 1.003 g/cm3
compressibility = 4.824e-05 /bar
expansivity = 7.975e-05 /C
viscosity = 0.018 poise
Chlorinity = 0.019181 molal
Dissolved solids = 3708 mg/kg sol'n
Elect. conductivity = 4649.80 uS/cm (or umho/cm)
Hardness = 1269.81 mg/kg sol'n as CaCO3
carbonate = 1269.81 mg/kg sol'n as CaCO3
non-carbonate = 0.00 mg/kg sol'n as CaCO3
Carbonate alkalinity= 1431.90 mg/kg sol'n as CaCO3
Water type = Mg-HCO3
Bulk volume = 903. cm3
Fluid volume = 900. cm3
Mineral volume = 3.12 cm3
Inert volume = 0.00 cm3
Porosity = 99.7 %
Permeability = 87.6 cm2
Mass reacted = 13.5 g
moles moles grams cm3 rxn rate
Reactants remaining reacted reacted reacted (molal/sec)
---------------------------------------------------------------------------------------------------------
Al2O3 0.01748 0.001942 0.1980 -- --
CH4(g) (fixed fug.) -0.02790 -0.4476 -- --
CO2(aq) 0.9195 0.1022 4.496 -- --
CaO 0.02375 0.002639 0.1480 -- --
FeO 0.3545 0.03939 2.830 0.4727 --
Formaldehyde(aq) 0.05391 0.005990 0.1798 -- --
H2S(aq) 0.000 0.000 0.000 -- --
HCN(aq) 0.000 0.000 0.000 -- --
K2O 0.0008599 9.555e-05 0.009000 0.003858 --
Methanol(aq) 0.1010 0.01123 0.3597 -- --
MgO 0.4194 0.04660 1.878 -- --
MnO 0.000 0.000 0.000 -- --
N2(g) 0.000 0.000 0.000 -- --
NH3(aq) 0.1426 0.01584 0.2698 -- --
Na2O 0.01263 0.001404 0.08700 0.03509 --
NiO 0.01783 0.001982 0.1480 -- --
P2O5 0.000 0.000 0.000 -- --
S 0.1976 0.02195 0.7040 0.3405 --
SO2(g) 0.000 0.000 0.000 -- --
SO4-- 0.000 0.000 0.000 -- --
SiO2 0.4017 0.04464 2.682 -- --
Minerals in system moles log moles grams volume (cm3)
-------------------------------------------------------------------------------------------
Dolomite-ord 0.002604 -2.584 0.4802 0.1676
Kaolinite 0.001942 -2.712 0.5013 0.1933
Magnesite 0.03258 -1.487 2.747 0.9127
Ni2SiO4 0.0005387 -3.269 0.1128 0.02295
Pyrrhotite 0.02194 -1.659 1.929 0.3994
Quartz 0.04019 -1.396 2.415 0.9119
Siderite 0.01742 -1.759 2.019 0.5119
_____________ _____________
(total) 10.20 3.120
Aqueous species molality mg/kg sol'n act. coef. log act.
------------------------------------------------------------------------------------------
HCO3- 0.02727 1658. 0.8156 -1.6528
Cl- 0.01908 674.0 0.8048 -1.8137
NH4+ 0.01761 316.4 0.7990 -1.8518
CO2(aq) 0.01105 484.6 1.0000 -1.9565
Mg++ 0.01077 260.9 0.5121 -2.2583
Na+ 0.002988 68.45 0.8156 -2.6131
MgHCO3+ 0.001808 153.7 0.8156 -2.8312
Ni++ 0.001004 58.72 0.4765 -3.3200
K+ 0.0002125 8.276 0.8048 -3.7670
NaHCO3(aq) 0.0001281 10.72 1.0000 -3.8925
MgCl+ 9.272e-05 5.520 0.8156 -4.1213
Ca++ 3.335e-05 1.332 0.4765 -4.7989
Fe++ 2.408e-05 1.340 0.4765 -4.9403
SiO2(aq) 2.334e-05 1.397 1.0000 -4.6319
MgCO3(aq) 1.712e-05 1.438 1.0000 -4.7665
Acetate 1.293e-05 0.7606 0.8205 -4.9743
NH3(aq) 9.195e-06 0.1560 1.0000 -5.0365
CO3-- 9.072e-06 0.5424 0.4466 -5.3924
H2S(aq) 8.957e-06 0.3041 1.0000 -5.0478
NaCl(aq) 5.554e-06 0.3234 1.0000 -5.2554
CaHCO3+ 5.395e-06 0.5434 0.8156 -5.3565
HS- 3.251e-06 0.1071 0.8104 -5.5793
Ethane(aq) 2.715e-06 0.08132 1.0000 -5.5663
MgCH3COO+ 2.267e-06 0.1882 0.8156 -5.7332
NiCl+ 8.139e-07 0.07634 0.8156 -6.1779
NiCH3COO+ 2.916e-07 0.03420 0.8156 -6.6237
NH4CH3COO(aq) 2.540e-07 0.01951 1.0000 -6.5951
Acetamide(aq) 1.796e-07 0.01057 1.0000 -6.7457
H+ 1.525e-07 0.0001531 0.8557 -6.8844
FeCl+ 1.522e-07 0.01384 0.8156 -6.9062
N2(aq) 1.133e-07 0.003163 1.0000 -6.9457
Formate 8.884e-08 0.003985 0.8104 -7.1427
CaCO3(aq) 8.525e-08 0.008501 1.0000 -7.0693
Acetic_acid(aq) 8.365e-08 0.005005 1.0000 -7.0775
NaCO3- 7.800e-08 0.006450 0.8156 -7.1964
CaCl+ 6.355e-08 0.004782 0.8156 -7.2854
KCl(aq) 5.124e-08 0.003806 1.0000 -7.2904
Ni(NH3)2++ 2.927e-08 0.002704 0.4466 -7.8838
Propanoate 2.620e-08 0.001908 0.8156 -7.6702
NaCH3COO(aq) 2.342e-08 0.001914 1.0000 -7.6305
Mg(For)+ 2.290e-08 0.001582 0.8156 -7.7287
OH- 1.086e-08 0.0001839 0.8104 -8.0556
HSiO3- 1.042e-08 0.0008000 0.8156 -8.0708
(only species > 1e-8 molal listed)
Mineral saturation states log Q/K log Q/K
-----------------------------------------------------------------------------------------------
Polydymite 28.4241s/sat Dawsonite -0.6921
Heazlewoodite 15.3894s/sat Coesite -0.8796
Vaesite 10.7182s/sat Cristobalite(beta) -1.1306
Pyrite 6.9860s/sat Montmor-Mg -1.1619
Millerite 6.2574s/sat Maximum_Microcline -1.4159
C 3.9738s/sat K-Feldspar -1.4203
Diaspore 0.2237s/sat SiO2(am) -1.5079
Troilite 0.1079s/sat Montmor-K -1.5529
Siderite 0.0000 sat Beidellite-Mg -1.5955
Magnesite 0.0000 sat Montmor-Na -1.5999
Kaolinite 0.0000 sat Montmor-Ca -1.6490
Pyrrhotite 0.0000 sat Dolomite-dis -1.7407
Quartz 0.0000 sat Calcite -1.7929
Ni2SiO4 0.0000 sat Illite -1.8249
Dolomite-ord 0.0000 sat Pyrophyllite -1.8789
Dolomite -0.0001 Aragonite -1.9387
Ice -0.0470 Beidellite-K -1.9867
Tridymite -0.2064 Beidellite-Ca -2.0034
Boehmite -0.2245 Beidellite-Na -2.0271
Gibbsite -0.2378 Beidellite-H -2.4027
Chalcedony -0.2960 Monohydrocalcite -2.5788
Muscovite -0.4843 Sanidine_high -2.7928
Cristobalite(alpha) -0.6106 Celadonite -2.9968
(only minerals with log Q/K > -3 listed)
partial
Gases press. (bar) fugacity fug. coef. log fug.
-----------------------------------------------------------------------------------------
CH4(g) 100.2 100.0 0.9976 2.0000
CO2(g) 0.1388 0.1379 0.9932 -0.8604
H2O(g) 0.005489 0.005026 0.9156 -2.2988
N2(g) 0.0001065 0.0001065 0.9995 -3.9727
H2S(g) 4.157e-05 4.115e-05 0.9900 -4.3856
H2(g) 9.404e-07 9.412e-07 1.001 -6.0263
NH3(g) 3.939e-08 3.893e-08 0.9882 -7.4098
CO(g) 4.598e-11 4.598e-11 1.000* -10.3375
HCl(g) 6.702e-17 6.702e-17 1.000* -16.1738
C2H4(g) 1.303e-17 1.303e-17 1.000* -16.8852
S2(g) 8.221e-26 8.221e-26 1.000* -25.0851
SO2(g) 3.631e-28 3.553e-28 0.9786 -27.4494
NO(g) 3.306e-59 3.306e-59 1.000* -58.4807
Cl2(g) 2.160e-63 2.160e-63 1.000* -62.6655
Na(g) 2.051e-64 2.051e-64 1.000* -63.6881
K(g) 3.567e-66 3.567e-66 1.000* -65.4477
O2(g) 5.896e-81 5.890e-81 0.9990 -80.2299
NO2(g) 6.800e-92 6.800e-92 1.000* -91.1675
Mg(g) 2.589e-104 2.589e-104 1.000* -103.5868
C(g) 7.704e-126 7.704e-126 1.000* -125.1133
Ca(g) 2.069e-131 2.069e-131 1.000* -130.6843
Al(g) 1.213e-150 1.213e-150 1.000* -149.9161
Si(g) 2.327e-163 2.327e-163 1.000* -162.6332
*no data, gas taken to be ideal
In fluid Sorbed
Original basis total moles moles mg/kg moles mg/kg
-------------------------------------------------------------------------------------------------
H2O 49.91 49.90 9.961e+05
Al+++ 0.003884 6.727e-10 2.011e-05
Ca++ 0.002639 3.497e-05 1.553
Cl- 0.01725 0.01725 677.5
Fe++ 0.03939 2.179e-05 1.349
H+ -0.04323 0.02579 28.79
HCO3- 0.09148 0.03627 2452.
HPO4-- 9.369e-12 9.369e-12 9.963e-07
K+ 0.0001911 0.0001911 8.278
Mg++ 0.04660 0.01142 307.4
Mn++ 1.637e-11 1.637e-11 9.963e-07
NH3(aq) 0.01584 0.01584 298.9
Na+ 0.002807 0.002807 71.51
Ni++ 0.001982 0.0009041 58.79
O2(aq) -0.04395 -5.934e-05 -2.104
SO4-- 0.02195 1.098e-05 1.168
SiO2(aq) 0.04464 2.100e-05 1.398
In fluid Sorbed
Elemental composition total moles moles mg/kg moles mg/kg
-------------------------------------------------------------------------------------------------
Aluminum 0.003884 6.727e-10 2.011e-05
Calcium 0.002639 3.497e-05 1.553
Carbon 0.09148 0.03627 482.6
Chlorine 0.01725 0.01725 677.5
Hydrogen 99.93 99.92 1.116e+05
Iron 0.03939 2.179e-05 1.349
Magnesium 0.04660 0.01142 307.4
Manganese 1.637e-11 1.637e-11 9.963e-07
Nickel 0.001982 0.0009041 58.79
Nitrogen 0.01584 0.01584 245.8
Oxygen 50.28 50.01 8.866e+05
Phosphorus 9.369e-12 9.369e-12 3.215e-07
Potassium 0.0001911 0.0001911 8.278
Silicon 0.04464 2.100e-05 0.6534
Sodium 0.002807 0.002807 71.51
Sulfur 0.02195 1.098e-05 0.3900
Step # 276 Xi = 0.2000
Temperature = 0.0 C Pressure = 1.013 bar
pH = 6.648 log fO2 = -79.972
Eh = -0.2102 volts pe = -3.8793
Ionic strength = 0.086637 molal
Activity of water = 0.999340
Solvent mass = 0.89907 kg
Solution mass = 0.90546 kg
Mineral mass = 0.021198 kg
Fluid density = 1.005 g/cm3
compressibility = 4.822e-05 /bar
expansivity = 7.943e-05 /C
viscosity = 0.018 poise
Chlorinity = 0.019184 molal
Dissolved solids = 7055 mg/kg sol'n
Elect. conductivity = 6787.35 uS/cm (or umho/cm)
Hardness = 1387.30 mg/kg sol'n as CaCO3
carbonate = 1387.30 mg/kg sol'n as CaCO3
non-carbonate = 0.00 mg/kg sol'n as CaCO3
Carbonate alkalinity= 2773.36 mg/kg sol'n as CaCO3
Water type = NH4-HCO3
Bulk volume = 908. cm3
Fluid volume = 901. cm3
Mineral volume = 6.52 cm3
Inert volume = 0.00 cm3
Porosity = 99.3 %
Permeability = 77.0 cm2
Mass reacted = 27.4 g
moles moles grams cm3 rxn rate
Reactants remaining reacted reacted reacted (molal/sec)
---------------------------------------------------------------------------------------------------------
Al2O3 0.01554 0.003884 0.3960 -- --
CH4(g) (fixed fug.) -0.03381 -0.5424 -- --
CO2(aq) 0.8173 0.2043 8.992 -- --
CaO 0.02111 0.005278 0.2960 -- --
FeO 0.3151 0.07878 5.660 0.9454 --
Formaldehyde(aq) 0.04792 0.01198 0.3597 -- --
H2S(aq) 0.000 0.000 0.000 -- --
HCN(aq) 0.000 0.000 0.000 -- --
K2O 0.0007644 0.0001911 0.01800 0.007716 --
Methanol(aq) 0.08980 0.02245 0.7194 -- --
MgO 0.3728 0.09319 3.756 -- --
MnO 0.000 0.000 0.000 -- --
N2(g) 0.000 0.000 0.000 -- --
NH3(aq) 0.1267 0.03168 0.5395 -- --
Na2O 0.01123 0.002807 0.1740 0.07019 --
NiO 0.01585 0.003963 0.2960 -- --
P2O5 0.000 0.000 0.000 -- --
S 0.1756 0.04391 1.408 0.6811 --
SO2(g) 0.000 0.000 0.000 -- --
SO4-- 0.000 0.000 0.000 -- --
SiO2 0.3571 0.08927 5.364 -- --
Minerals in system moles log moles grams volume (cm3)
-------------------------------------------------------------------------------------------
Dolomite-ord 0.005240 -2.281 0.9662 0.3371
Kaolinite 0.003884 -2.411 1.003 0.3865
Magnesite 0.07544 -1.122 6.361 2.114
Ni2SiO4 0.0004926 -3.308 0.1032 0.02099
Pyrrhotite 0.04388 -1.358 3.857 0.7986
Quartz 0.08099 -1.092 4.866 1.838
Siderite 0.03488 -1.457 4.041 1.025
_____________ _____________
(total) 21.20 6.519
Aqueous species molality mg/kg sol'n act. coef. log act.
------------------------------------------------------------------------------------------
HCO3- 0.05352 3243. 0.7909 -1.3733
CO2(aq) 0.03628 1585. 1.0000 -1.4403
NH4+ 0.03522 630.9 0.7690 -1.5672
Cl- 0.01909 671.9 0.7768 -1.8290
Mg++ 0.01059 255.7 0.4720 -2.3010
Na+ 0.005778 131.9 0.7909 -2.3401
Ni++ 0.003308 192.8 0.4304 -2.8465
MgHCO3+ 0.003217 272.5 0.7909 -2.5945
NaHCO3(aq) 0.0004570 38.12 1.0000 -3.3400
K+ 0.0004250 16.50 0.7768 -3.4813
MgCl+ 8.367e-05 4.965 0.7909 -4.1793
Ca++ 3.346e-05 1.332 0.4304 -4.8416
H2S(aq) 2.940e-05 0.9950 1.0000 -4.5316
Acetate 2.532e-05 1.485 0.7973 -4.6948
Fe++ 2.416e-05 1.340 0.4304 -4.9830
SiO2(aq) 2.334e-05 1.392 1.0000 -4.6319
MgCO3(aq) 1.712e-05 1.433 1.0000 -4.7665
CO3-- 1.131e-05 0.6738 0.3952 -5.3497
NH3(aq) 1.027e-05 0.1736 1.0000 -4.9886
NaCl(aq) 1.005e-05 0.5834 1.0000 -4.9977
CaHCO3+ 9.596e-06 0.9633 0.7909 -5.1198
HS- 6.395e-06 0.2100 0.7841 -5.2998
MgCH3COO+ 4.032e-06 0.3337 0.7909 -5.4964
Ethane(aq) 3.654e-06 0.1091 1.0000 -5.4372
NiCl+ 2.411e-06 0.2254 0.7909 -5.7197
NiCH3COO+ 1.703e-06 0.1990 0.7909 -5.8708
NH4CH3COO(aq) 9.310e-07 0.07126 1.0000 -6.0311
Acetamide(aq) 6.582e-07 0.03860 1.0000 -6.1817
N2(aq) 3.444e-07 0.009581 1.0000 -6.4629
Acetic_acid(aq) 2.746e-07 0.01637 1.0000 -6.5613
H+ 2.674e-07 0.0002676 0.8417 -6.6477
NaCO3- 1.664e-07 0.01371 0.7909 -6.8808
FeCl+ 1.373e-07 0.01245 0.7909 -6.9642
Formate 1.298e-07 0.005803 0.7841 -6.9923
Ni(NH3)2++ 1.226e-07 0.01129 0.3952 -7.3146
KCl(aq) 9.551e-08 0.007070 1.0000 -7.0200
CaCO3(aq) 8.525e-08 0.008472 1.0000 -7.0693
NaCH3COO(aq) 8.355e-08 0.006806 1.0000 -7.0781
Propanoate 6.921e-08 0.005022 0.7909 -7.2617
CaCl+ 5.734e-08 0.004300 0.7909 -7.3434
Mg(For)+ 3.026e-08 0.002083 0.7909 -7.6210
Ni(For)+ 2.458e-08 0.002532 0.7909 -7.7112
(only species > 1e-8 molal listed)
Mineral saturation states log Q/K log Q/K
-----------------------------------------------------------------------------------------------
Polydymite 30.6180s/sat Cristobalite(alpha) -0.6106
Heazlewoodite 16.2927s/sat Coesite -0.8796
Vaesite 11.8797s/sat Cristobalite(beta) -1.1306
Pyrite 7.6313s/sat Maximum_Microcline -1.3670
Millerite 6.7736s/sat K-Feldspar -1.3714
C 4.2319s/sat Montmor-Mg -1.4174
Diaspore 0.2237s/sat SiO2(am) -1.5079
Troilite 0.1079s/sat Beidellite-Mg -1.6806
Quartz 0.0000 sat Montmor-K -1.7071
Magnesite 0.0000 sat Dolomite-dis -1.7407
Kaolinite 0.0000 sat Montmor-Na -1.7583
Dolomite-ord 0.0000 sat Calcite -1.7929
Ni2SiO4 0.0000 sat Pyrophyllite -1.8789
Pyrrhotite 0.0000 sat Montmor-Ca -1.9045
Siderite 0.0000 sat Illite -1.9246
Dolomite -0.0001 Aragonite -1.9387
Ice -0.0470 Beidellite-K -1.9705
Dawsonite -0.1397 Beidellite-Na -2.0151
Tridymite -0.2064 Beidellite-Ca -2.0885
Boehmite -0.2245 Beidellite-H -2.4027
Gibbsite -0.2378 Monohydrocalcite -2.5788
Chalcedony -0.2960 Sanidine_high -2.7439
Muscovite -0.4354
(only minerals with log Q/K > -3 listed)
partial
Gases press. (bar) fugacity fug. coef. log fug.
-----------------------------------------------------------------------------------------
CH4(g) 100.2 100.0 0.9976 2.0000
CO2(g) 0.4557 0.4527 0.9932 -0.3442
H2O(g) 0.005489 0.005026 0.9156 -2.2988
N2(g) 0.0003238 0.0003237 0.9995 -3.4899
H2S(g) 0.0001364 0.0001351 0.9900 -3.8694
H2(g) 6.987e-07 6.993e-07 1.001 -6.1554
NH3(g) 4.398e-08 4.346e-08 0.9882 -7.3619
CO(g) 1.121e-10 1.121e-10 1.000* -9.9503
HCl(g) 1.116e-16 1.116e-16 1.000* -15.9523
C2H4(g) 2.360e-17 2.360e-17 1.000* -16.6271
S2(g) 1.605e-24 1.605e-24 1.000* -23.7945
SO2(g) 2.907e-27 2.844e-27 0.9786 -26.5460
NO(g) 7.758e-59 7.758e-59 1.000* -58.1103
Cl2(g) 8.063e-63 8.063e-63 1.000* -62.0935
Na(g) 1.921e-64 1.921e-64 1.000* -63.7164
K(g) 3.441e-66 3.441e-66 1.000* -65.4633
O2(g) 1.068e-80 1.067e-80 0.9990 -79.9717
NO2(g) 2.148e-91 2.148e-91 1.000* -90.6680
Mg(g) 5.861e-105 5.861e-105 1.000* -104.2321
C(g) 1.396e-125 1.396e-125 1.000* -124.8552
Ca(g) 4.682e-132 4.682e-132 1.000* -131.3296
Al(g) 7.768e-151 7.768e-151 1.000* -150.1097
Si(g) 1.284e-163 1.284e-163 1.000* -162.8914
*no data, gas taken to be ideal
In fluid Sorbed
Original basis total moles moles mg/kg moles mg/kg
-------------------------------------------------------------------------------------------------
H2O 49.89 49.87 9.923e+05
Al+++ 0.007768 9.798e-10 2.920e-05
Ca++ 0.005278 3.884e-05 1.719
Cl- 0.01725 0.01725 675.3
Fe++ 0.07878 2.185e-05 1.348
H+ -0.08171 0.06436 71.64
HCO3- 0.2049 0.08414 5670.
HPO4-- 9.369e-12 9.369e-12 9.931e-07
K+ 0.0003822 0.0003822 16.50
Mg++ 0.09319 0.01251 335.8
Mn++ 1.637e-11 1.637e-11 9.931e-07
NH3(aq) 0.03168 0.03168 595.9
Na+ 0.005615 0.005615 142.6
Ni++ 0.003963 0.002978 193.0
O2(aq) -0.08789 -0.0001351 -4.775
SO4-- 0.04391 3.218e-05 3.415
SiO2(aq) 0.08927 2.099e-05 1.393
In fluid Sorbed
Elemental composition total moles moles mg/kg moles mg/kg
-------------------------------------------------------------------------------------------------
Aluminum 0.007768 9.798e-10 2.920e-05
Calcium 0.005278 3.884e-05 1.719
Carbon 0.2049 0.08414 1116.
Chlorine 0.01725 0.01725 675.3
Hydrogen 100.0 99.99 1.113e+05
Iron 0.07878 2.185e-05 1.348
Magnesium 0.09319 0.01251 335.8
Manganese 1.637e-11 1.637e-11 9.931e-07
Nickel 0.003963 0.002978 193.0
Nitrogen 0.03168 0.03168 490.1
Oxygen 50.69 50.13 8.857e+05
Phosphorus 9.369e-12 9.369e-12 3.205e-07
Potassium 0.0003822 0.0003822 16.50
Silicon 0.08927 2.099e-05 0.6511
Sodium 0.005615 0.005615 142.6
Sulfur 0.04391 3.218e-05 1.140
Step # 376 Xi = 0.3000
Temperature = 0.0 C Pressure = 1.013 bar
pH = 6.557 log fO2 = -79.851
Eh = -0.2037 volts pe = -3.7581
Ionic strength = 0.111595 molal
Activity of water = 0.999340
Solvent mass = 0.89896 kg
Solution mass = 0.90825 kg
Mineral mass = 0.032302 kg
Fluid density = 1.007 g/cm3
compressibility = 4.820e-05 /bar
expansivity = 7.919e-05 /C
viscosity = 0.018 poise
Chlorinity = 0.019186 molal
Dissolved solids = 10233 mg/kg sol'n
Elect. conductivity = 8740.68 uS/cm (or umho/cm)
Hardness = 1379.71 mg/kg sol'n as CaCO3
carbonate = 1379.71 mg/kg sol'n as CaCO3
non-carbonate = 0.00 mg/kg sol'n as CaCO3
Carbonate alkalinity= 3967.53 mg/kg sol'n as CaCO3
Water type = NH4-HCO3
Bulk volume = 912. cm3
Fluid volume = 902. cm3
Mineral volume = 9.95 cm3
Inert volume = 0.00 cm3
Porosity = 98.9 %
Permeability = 67.7 cm2
Mass reacted = 41.3 g
moles moles grams cm3 rxn rate
Reactants remaining reacted reacted reacted (molal/sec)
---------------------------------------------------------------------------------------------------------
Al2O3 0.01359 0.005826 0.5940 -- --
CH4(g) (fixed fug.) -0.03972 -0.6372 -- --
CO2(aq) 0.7151 0.3065 13.49 -- --
CaO 0.01847 0.007918 0.4440 -- --
FeO 0.2757 0.1182 8.490 1.418 --
Formaldehyde(aq) 0.04193 0.01797 0.5395 -- --
H2S(aq) 0.000 0.000 0.000 -- --
HCN(aq) 0.000 0.000 0.000 -- --
K2O 0.0006688 0.0002866 0.02700 0.01157 --
Methanol(aq) 0.07858 0.03368 1.079 -- --
MgO 0.3262 0.1398 5.634 -- --
MnO 0.000 0.000 0.000 -- --
N2(g) 0.000 0.000 0.000 -- --
NH3(aq) 0.1109 0.04752 0.8093 -- --
Na2O 0.009826 0.004211 0.2610 0.1053 --
NiO 0.01387 0.005945 0.4440 -- --
P2O5 0.000 0.000 0.000 -- --
S 0.1537 0.06586 2.112 1.022 --
SO2(g) 0.000 0.000 0.000 -- --
SO4-- 0.000 0.000 0.000 -- --
SiO2 0.3125 0.1339 8.046 -- --
Minerals in system moles log moles grams volume (cm3)
-------------------------------------------------------------------------------------------
Dolomite-ord 0.007879 -2.104 1.453 0.5069
Kaolinite 0.005826 -2.235 1.504 0.5798
Magnesite 0.1194 -0.923 10.07 3.346
Ni2SiO4 0.0005508 -3.259 0.1154 0.02347
Pyrrhotite 0.06581 -1.182 5.786 1.198
Quartz 0.1217 -0.915 7.312 2.761
Siderite 0.05234 -1.281 6.064 1.538
_____________ _____________
(total) 32.30 9.952
Aqueous species molality mg/kg sol'n act. coef. log act.
------------------------------------------------------------------------------------------
HCO3- 0.07724 4665. 0.7748 -1.2230
CO2(aq) 0.06324 2755. 1.0000 -1.1990
NH4+ 0.05284 943.5 0.7489 -1.4026
Cl- 0.01910 670.1 0.7581 -1.8393
Mg++ 0.009740 234.3 0.4478 -2.3603
Na+ 0.008431 191.8 0.7748 -2.1850
Ni++ 0.005380 312.5 0.4024 -2.6646
MgHCO3+ 0.004049 341.9 0.7748 -2.5035
NaHCO3(aq) 0.0009235 76.79 1.0000 -3.0346
K+ 0.0006376 24.67 0.7581 -3.3157
MgCl+ 7.274e-05 4.303 0.7748 -4.2490
H2S(aq) 5.125e-05 1.729 1.0000 -4.2903
Acetate 3.649e-05 2.132 0.7823 -4.5445
Ca++ 3.122e-05 1.238 0.4024 -4.9009
SiO2(aq) 2.334e-05 1.388 1.0000 -4.6319
Fe++ 2.254e-05 1.246 0.4024 -5.0423
MgCO3(aq) 1.712e-05 1.429 1.0000 -4.7665
CO3-- 1.408e-05 0.8364 0.3639 -5.2904
NaCl(aq) 1.403e-05 0.8117 1.0000 -4.8529
NH3(aq) 1.216e-05 0.2050 1.0000 -4.9150
CaHCO3+ 1.208e-05 1.209 0.7748 -5.0288
HS- 9.244e-06 0.3026 0.7667 -5.1495
MgCH3COO+ 5.075e-06 0.4186 0.7748 -5.4054
Ethane(aq) 4.198e-06 0.1250 1.0000 -5.3769
NiCH3COO+ 3.735e-06 0.4353 0.7748 -5.5385
NiCl+ 3.654e-06 0.3404 0.7748 -5.5481
NH4CH3COO(aq) 1.923e-06 0.1467 1.0000 -5.7161
Acetamide(aq) 1.359e-06 0.07947 1.0000 -5.8667
N2(aq) 7.336e-07 0.02034 1.0000 -6.1346
Acetic_acid(aq) 4.786e-07 0.02845 1.0000 -6.3200
H+ 3.331e-07 0.0003323 0.8332 -6.5567
Ni(NH3)2++ 2.843e-07 0.02610 0.3639 -6.9853
NaCO3- 2.783e-07 0.02287 0.7748 -6.6663
NaCH3COO(aq) 1.688e-07 0.01371 1.0000 -6.7726
Formate 1.633e-07 0.007277 0.7667 -6.9023
KCl(aq) 1.365e-07 0.01007 1.0000 -6.8648
FeCl+ 1.194e-07 0.01079 0.7748 -7.0339
Propanoate 1.148e-07 0.008300 0.7748 -7.0510
CaCO3(aq) 8.525e-08 0.008445 1.0000 -7.0693
CaCl+ 4.985e-08 0.003727 0.7748 -7.4131
Ni(For)+ 4.694e-08 0.004818 0.7748 -7.4393
Mg(For)+ 3.315e-08 0.002275 0.7748 -7.5903
Ni(Prop)+ 1.236e-08 0.001612 0.7748 -8.0187
(only species > 1e-8 molal listed)
Mineral saturation states log Q/K log Q/K
-----------------------------------------------------------------------------------------------
Polydymite 31.6436s/sat Cristobalite(alpha) -0.6106
Heazlewoodite 16.7150s/sat Coesite -0.8796
Vaesite 12.4226s/sat Cristobalite(beta) -1.1306
Pyrite 7.9329s/sat Maximum_Microcline -1.2924
Millerite 7.0149s/sat K-Feldspar -1.2968
C 4.3526s/sat SiO2(am) -1.5079
Diaspore 0.2237s/sat Montmor-Mg -1.5369
Dawsonite 0.1658s/sat Beidellite-Mg -1.7204
Troilite 0.1079s/sat Dolomite-dis -1.7407
Quartz 0.0000 sat Montmor-K -1.7621
Magnesite 0.0000 sat Calcite -1.7929
Kaolinite 0.0000 sat Montmor-Na -1.8168
Dolomite-ord 0.0000 sat Pyrophyllite -1.8789
Pyrrhotite 0.0000 sat Aragonite -1.9387
Siderite 0.0000 sat Illite -1.9402
Ni2SiO4 0.0000 sat Beidellite-K -1.9459
Dolomite -0.0001 Beidellite-Na -1.9939
Ice -0.0470 Montmor-Ca -2.0240
Tridymite -0.2064 Beidellite-Ca -2.1283
Boehmite -0.2245 Beidellite-H -2.4027
Gibbsite -0.2378 Monohydrocalcite -2.5788
Chalcedony -0.2960 Sanidine_high -2.6693
Muscovite -0.3608
(only minerals with log Q/K > -3 listed)
partial
Gases press. (bar) fugacity fug. coef. log fug.
-----------------------------------------------------------------------------------------
CH4(g) 100.2 100.0 0.9976 2.0000
CO2(g) 0.7944 0.7890 0.9932 -0.1029
H2O(g) 0.005489 0.005026 0.9156 -2.2988
N2(g) 0.0006897 0.0006894 0.9995 -3.1616
H2S(g) 0.0002378 0.0002354 0.9900 -3.6281
H2(g) 6.081e-07 6.086e-07 1.001 -6.2157
NH3(g) 5.211e-08 5.149e-08 0.9882 -7.2883
CO(g) 1.701e-10 1.701e-10 1.000* -9.7693
HCl(g) 1.344e-16 1.344e-16 1.000* -15.8717
C2H4(g) 3.116e-17 3.116e-17 1.000* -16.5064
S2(g) 6.438e-24 6.438e-24 1.000* -23.1913
SO2(g) 7.686e-27 7.521e-27 0.9786 -26.1237
NO(g) 1.301e-58 1.301e-58 1.000* -57.8858
Cl2(g) 1.343e-62 1.343e-62 1.000* -61.8720
Na(g) 2.078e-64 2.078e-64 1.000* -63.6823
K(g) 3.812e-66 3.812e-66 1.000* -65.4188
O2(g) 1.410e-80 1.409e-80 0.9990 -79.8511
NO2(g) 4.138e-91 4.138e-91 1.000* -90.3832
Mg(g) 2.926e-105 2.926e-105 1.000* -104.5337
C(g) 1.843e-125 1.843e-125 1.000* -124.7345
Ca(g) 2.338e-132 2.338e-132 1.000* -131.6312
Al(g) 6.307e-151 6.307e-151 1.000* -150.2002
Si(g) 9.727e-164 9.727e-164 1.000* -163.0120
*no data, gas taken to be ideal
In fluid Sorbed
Original basis total moles moles mg/kg moles mg/kg
-------------------------------------------------------------------------------------------------
H2O 49.87 49.84 9.886e+05
Al+++ 0.01165 1.300e-09 3.861e-05
Ca++ 0.007918 3.905e-05 1.723
Cl- 0.01725 0.01725 673.2
Fe++ 0.1182 2.038e-05 1.253
H+ -0.1202 0.1045 115.9
HCO3- 0.3184 0.1309 8793.
HPO4-- 9.369e-12 9.369e-12 9.901e-07
K+ 0.0005733 0.0005733 24.68
Mg++ 0.1398 0.01248 334.0
Mn++ 1.637e-11 1.637e-11 9.901e-07
NH3(aq) 0.04752 0.04752 891.1
Na+ 0.008422 0.008422 213.2
Ni++ 0.005945 0.004843 312.9
O2(aq) -0.1318 -0.0002101 -7.402
SO4-- 0.06586 5.438e-05 5.752
SiO2(aq) 0.1339 2.099e-05 1.388
In fluid Sorbed
Elemental composition total moles moles mg/kg moles mg/kg
-------------------------------------------------------------------------------------------------
Aluminum 0.01165 1.300e-09 3.861e-05
Calcium 0.007918 3.905e-05 1.723
Carbon 0.3184 0.1309 1731.
Chlorine 0.01725 0.01725 673.2
Hydrogen 100.1 100.1 1.110e+05
Iron 0.1182 2.038e-05 1.253
Magnesium 0.1398 0.01248 334.0
Manganese 1.637e-11 1.637e-11 9.901e-07
Nickel 0.005945 0.004843 312.9
Nitrogen 0.04752 0.04752 732.8
Oxygen 51.10 50.24 8.849e+05
Phosphorus 9.369e-12 9.369e-12 3.195e-07
Potassium 0.0005733 0.0005733 24.68
Silicon 0.1339 2.099e-05 0.6490
Sodium 0.008422 0.008422 213.2
Sulfur 0.06586 5.438e-05 1.920
Step # 476 Xi = 0.4000
Temperature = 0.0 C Pressure = 1.013 bar
pH = 6.505 log fO2 = -79.772
Eh = -0.1998 volts pe = -3.6868
Ionic strength = 0.135605 molal
Activity of water = 0.999339
Solvent mass = 0.89885 kg
Solution mass = 0.91101 kg
Mineral mass = 0.043439 kg
Fluid density = 1.009 g/cm3
compressibility = 4.817e-05 /bar
expansivity = 7.902e-05 /C
viscosity = 0.018 poise
Chlorinity = 0.019188 molal
Dissolved solids = 13350 mg/kg sol'n
Elect. conductivity = 10634.19 uS/cm (or umho/cm)
Hardness = 1354.19 mg/kg sol'n as CaCO3
carbonate = 1354.19 mg/kg sol'n as CaCO3
non-carbonate = 0.00 mg/kg sol'n as CaCO3
Carbonate alkalinity= 5114.41 mg/kg sol'n as CaCO3
Water type = NH4-HCO3
Bulk volume = 916. cm3
Fluid volume = 903. cm3
Mineral volume = 13.4 cm3
Inert volume = 0.00 cm3
Porosity = 98.5 %
Permeability = 59.6 cm2
Mass reacted = 55.2 g
moles moles grams cm3 rxn rate
Reactants remaining reacted reacted reacted (molal/sec)
---------------------------------------------------------------------------------------------------------
Al2O3 0.01165 0.007768 0.7920 -- --
CH4(g) (fixed fug.) -0.04563 -0.7320 -- --
CO2(aq) 0.6130 0.4086 17.98 -- --
CaO 0.01584 0.01056 0.5920 -- --
FeO 0.2363 0.1576 11.32 1.891 --
Formaldehyde(aq) 0.03594 0.02396 0.7194 -- --
H2S(aq) 0.000 0.000 0.000 -- --
HCN(aq) 0.000 0.000 0.000 -- --
K2O 0.0005733 0.0003822 0.03600 0.01543 --
Methanol(aq) 0.06735 0.04490 1.439 -- --
MgO 0.2796 0.1864 7.512 -- --
MnO 0.000 0.000 0.000 -- --
N2(g) 0.000 0.000 0.000 -- --
NH3(aq) 0.09504 0.06336 1.079 -- --
Na2O 0.008422 0.005615 0.3480 0.1404 --
NiO 0.01189 0.007926 0.5920 -- --
P2O5 0.000 0.000 0.000 -- --
S 0.1317 0.08782 2.816 1.362 --
SO2(g) 0.000 0.000 0.000 -- --
SO4-- 0.000 0.000 0.000 -- --
SiO2 0.2678 0.1785 10.73 -- --
Minerals in system moles log moles grams volume (cm3)
-------------------------------------------------------------------------------------------
Dolomite-ord 0.01052 -1.978 1.940 0.6767
Kaolinite 0.007768 -2.110 2.005 0.7730
Magnesite 0.1636 -0.786 13.79 4.583
Ni2SiO4 0.0007256 -3.139 0.1520 0.03092
Pyrrhotite 0.08774 -1.057 7.714 1.597
Quartz 0.1623 -0.790 9.750 3.682
Siderite 0.06980 -1.156 8.086 2.051
_____________ _____________
(total) 43.44 13.39
Aqueous species molality mg/kg sol'n act. coef. log act.
------------------------------------------------------------------------------------------
HCO3- 0.1002 6032. 0.7623 -1.1170
CO2(aq) 0.09090 3947. 1.0000 -1.0414
NH4+ 0.07047 1254. 0.7330 -1.2869
Cl- 0.01910 668.2 0.7435 -1.8476
Na+ 0.01097 248.8 0.7623 -2.0778
Mg++ 0.008948 214.6 0.4301 -2.4147
Ni++ 0.007192 416.5 0.3818 -2.5613
MgHCO3+ 0.004634 390.1 0.7623 -2.4519
NaHCO3(aq) 0.001509 125.0 1.0000 -2.8214
K+ 0.0008502 32.80 0.7435 -3.1992
H2S(aq) 7.367e-05 2.477 1.0000 -4.1327
MgCl+ 6.400e-05 3.773 0.7623 -4.3117
Acetate 4.727e-05 2.754 0.7707 -4.4385
Ca++ 2.904e-05 1.148 0.3818 -4.9553
SiO2(aq) 2.334e-05 1.384 1.0000 -4.6319
Fe++ 2.097e-05 1.155 0.3818 -5.0967
NaCl(aq) 1.762e-05 1.016 1.0000 -4.7541
MgCO3(aq) 1.712e-05 1.424 1.0000 -4.7665
CO3-- 1.705e-05 1.009 0.3407 -5.2360
NH3(aq) 1.410e-05 0.2369 1.0000 -4.8509
CaHCO3+ 1.383e-05 1.379 0.7623 -4.9772
HS- 1.201e-05 0.3919 0.7532 -5.0435
NiCH3COO+ 6.146e-06 0.7140 0.7623 -5.3293
MgCH3COO+ 5.809e-06 0.4777 0.7623 -5.3538
NiCl+ 4.621e-06 0.4292 0.7623 -5.4532
Ethane(aq) 4.597e-06 0.1364 1.0000 -5.3375
NH4CH3COO(aq) 3.203e-06 0.2436 1.0000 -5.4944
Acetamide(aq) 2.264e-06 0.1320 1.0000 -5.6450
N2(aq) 1.293e-06 0.03575 1.0000 -5.8882
Acetic_acid(aq) 6.880e-07 0.04076 1.0000 -6.1624
Ni(NH3)2++ 5.172e-07 0.04733 0.3407 -6.7540
NaCO3- 4.103e-07 0.03360 0.7623 -6.5047
H+ 3.779e-07 0.0003758 0.8271 -6.5051
NaCH3COO(aq) 2.758e-07 0.02232 1.0000 -6.5594
Formate 1.938e-07 0.008608 0.7532 -6.8357
KCl(aq) 1.752e-07 0.01288 1.0000 -6.7566
Propanoate 1.630e-07 0.01175 0.7623 -6.9056
FeCl+ 1.050e-07 0.009460 0.7623 -7.0966
CaCO3(aq) 8.525e-08 0.008419 1.0000 -7.0693
Ni(For)+ 7.054e-08 0.007218 0.7623 -7.2695
CaCl+ 4.386e-08 0.003269 0.7623 -7.4758
Mg(For)+ 3.466e-08 0.002370 0.7623 -7.5781
Ni(Prop)+ 2.227e-08 0.002896 0.7623 -7.7701
KCH3COO(aq) 1.174e-08 0.001137 1.0000 -7.9303
FeCH3COO+ 1.026e-08 0.001163 0.7623 -8.1069
(only species > 1e-8 molal listed)
Mineral saturation states log Q/K log Q/K
-----------------------------------------------------------------------------------------------
Polydymite 32.3134s/sat Cristobalite(alpha) -0.6106
Heazlewoodite 16.9908s/sat Coesite -0.8796
Vaesite 12.7772s/sat Cristobalite(beta) -1.1306
Pyrite 8.1299s/sat Maximum_Microcline -1.2275
Millerite 7.1725s/sat K-Feldspar -1.2319
C 4.4314s/sat SiO2(am) -1.5079
Dawsonite 0.3789s/sat Montmor-Mg -1.6149
Diaspore 0.2237s/sat Dolomite-dis -1.7407
Troilite 0.1079s/sat Beidellite-Mg -1.7465
Ni2SiO4 0.0000 sat Montmor-K -1.7927
Magnesite 0.0000 sat Calcite -1.7929
Kaolinite 0.0000 sat Montmor-Na -1.8505
Quartz 0.0000 sat Pyrophyllite -1.8789
Dolomite-ord 0.0000 sat Beidellite-K -1.9245
Siderite 0.0000 sat Aragonite -1.9387
Pyrrhotite 0.0000 sat Illite -1.9406
Dolomite -0.0001 Beidellite-Na -1.9756
Ice -0.0470 Montmor-Ca -2.1020
Tridymite -0.2064 Beidellite-Ca -2.1543
Boehmite -0.2245 Beidellite-H -2.4027
Gibbsite -0.2378 Monohydrocalcite -2.5788
Muscovite -0.2959 Sanidine_high -2.6044
Chalcedony -0.2960 Nahcolite -2.7893
(only minerals with log Q/K > -3 listed)
partial
Gases press. (bar) fugacity fug. coef. log fug.
-----------------------------------------------------------------------------------------
CH4(g) 100.2 100.0 0.9976 2.0000
CO2(g) 1.142 1.134 0.9932 0.0547
H2O(g) 0.005489 0.005026 0.9156 -2.2988
N2(g) 0.001216 0.001216 0.9995 -2.9152
H2S(g) 0.0003419 0.0003385 0.9900 -3.4705
H2(g) 5.553e-07 5.558e-07 1.001 -6.2551
NH3(g) 6.039e-08 5.968e-08 0.9882 -7.2242
CO(g) 2.233e-10 2.233e-10 1.000* -9.6511
HCl(g) 1.484e-16 1.484e-16 1.000* -15.8284
C2H4(g) 3.736e-17 3.736e-17 1.000* -16.4276
S2(g) 1.595e-23 1.595e-23 1.000* -22.7973
SO2(g) 1.450e-26 1.419e-26 0.9786 -25.8479
NO(g) 1.891e-58 1.891e-58 1.000* -57.7232
Cl2(g) 1.795e-62 1.795e-62 1.000* -61.7460
Na(g) 2.257e-64 2.257e-64 1.000* -63.6465
K(g) 4.230e-66 4.230e-66 1.000* -65.3736
O2(g) 1.691e-80 1.689e-80 0.9990 -79.7723
NO2(g) 6.588e-91 6.588e-91 1.000* -90.1812
Mg(g) 1.859e-105 1.859e-105 1.000* -104.7307
C(g) 2.209e-125 2.209e-125 1.000* -124.6557
Ca(g) 1.485e-132 1.485e-132 1.000* -131.8282
Al(g) 5.505e-151 5.505e-151 1.000* -150.2593
Si(g) 8.113e-164 8.113e-164 1.000* -163.0908
*no data, gas taken to be ideal
In fluid Sorbed
Original basis total moles moles mg/kg moles mg/kg
-------------------------------------------------------------------------------------------------
H2O 49.85 49.81 9.850e+05
Al+++ 0.01554 1.595e-09 4.725e-05
Ca++ 0.01056 3.865e-05 1.700
Cl- 0.01725 0.01725 671.2
Fe++ 0.1576 1.895e-05 1.162
H+ -0.1587 0.1452 160.7
HCO3- 0.4319 0.1775 1.189e+04
HPO4-- 9.369e-12 9.369e-12 9.871e-07
K+ 0.0007644 0.0007644 32.80
Mg++ 0.1864 0.01229 327.8
Mn++ 1.637e-11 1.637e-11 9.871e-07
NH3(aq) 0.06336 0.06336 1184.
Na+ 0.01123 0.01123 283.4
Ni++ 0.007926 0.006475 417.1
O2(aq) -0.1758 -0.0002856 -10.03
SO4-- 0.08782 7.701e-05 8.121
SiO2(aq) 0.1785 2.099e-05 1.384
In fluid Sorbed
Elemental composition total moles moles mg/kg moles mg/kg
-------------------------------------------------------------------------------------------------
Aluminum 0.01554 1.595e-09 4.725e-05
Calcium 0.01056 3.865e-05 1.700
Carbon 0.4319 0.1775 2340.
Chlorine 0.01725 0.01725 671.2
Hydrogen 100.2 100.1 1.108e+05
Iron 0.1576 1.895e-05 1.162
Magnesium 0.1864 0.01229 327.8
Manganese 1.637e-11 1.637e-11 9.871e-07
Nickel 0.007926 0.006475 417.1
Nitrogen 0.06336 0.06336 974.2
Oxygen 51.50 50.34 8.842e+05
Phosphorus 9.369e-12 9.369e-12 3.185e-07
Potassium 0.0007644 0.0007644 32.80
Silicon 0.1785 2.099e-05 0.6470
Sodium 0.01123 0.01123 283.4
Sulfur 0.08782 7.701e-05 2.711
Step # 576 Xi = 0.5000
Temperature = 0.0 C Pressure = 1.013 bar
pH = 6.471 log fO2 = -79.714
Eh = -0.1971 volts pe = -3.6377
Ionic strength = 0.159164 molal
Activity of water = 0.999339
Solvent mass = 0.89874 kg
Solution mass = 0.91375 kg
Mineral mass = 0.054589 kg
Fluid density = 1.011 g/cm3
compressibility = 4.814e-05 /bar
expansivity = 7.892e-05 /C
viscosity = 0.018 poise
Chlorinity = 0.019191 molal
Dissolved solids = 16430 mg/kg sol'n
Elect. conductivity = 12488.70 uS/cm (or umho/cm)
Hardness = 1328.10 mg/kg sol'n as CaCO3
carbonate = 1328.10 mg/kg sol'n as CaCO3
non-carbonate = 0.00 mg/kg sol'n as CaCO3
Carbonate alkalinity= 6235.21 mg/kg sol'n as CaCO3
Water type = NH4-HCO3
Bulk volume = 921. cm3
Fluid volume = 904. cm3
Mineral volume = 16.8 cm3
Inert volume = 0.00 cm3
Porosity = 98.2 %
Permeability = 52.5 cm2
Mass reacted = 69.1 g
moles moles grams cm3 rxn rate
Reactants remaining reacted reacted reacted (molal/sec)
---------------------------------------------------------------------------------------------------------
Al2O3 0.009710 0.009710 0.9900 -- --
CH4(g) (fixed fug.) -0.05154 -0.8268 -- --
CO2(aq) 0.5108 0.5108 22.48 -- --
CaO 0.01320 0.01320 0.7400 -- --
FeO 0.1969 0.1969 14.15 2.363 --
Formaldehyde(aq) 0.02995 0.02995 0.8992 -- --
H2S(aq) 0.000 0.000 0.000 -- --
HCN(aq) 0.000 0.000 0.000 -- --
K2O 0.0004777 0.0004777 0.04500 0.01929 --
Methanol(aq) 0.05613 0.05613 1.798 -- --
MgO 0.2330 0.2330 9.390 -- --
MnO 0.000 0.000 0.000 -- --
N2(g) 0.000 0.000 0.000 -- --
NH3(aq) 0.07920 0.07920 1.349 -- --
Na2O 0.007019 0.007019 0.4350 0.1755 --
NiO 0.009908 0.009908 0.7400 -- --
P2O5 0.000 0.000 0.000 -- --
S 0.1098 0.1098 3.520 1.703 --
SO2(g) 0.000 0.000 0.000 -- --
SO4-- 0.000 0.000 0.000 -- --
SiO2 0.2232 0.2232 13.41 -- --
Minerals in system moles log moles grams volume (cm3)
-------------------------------------------------------------------------------------------
Dolomite-ord 0.01316 -1.881 2.426 0.8466
Kaolinite 0.009710 -2.013 2.507 0.9663
Magnesite 0.2077 -0.682 17.51 5.820
Ni2SiO4 0.0009897 -3.004 0.2073 0.04217
Pyrrhotite 0.1097 -0.960 9.642 1.996
Quartz 0.2028 -0.693 12.18 4.600
Siderite 0.08726 -1.059 10.11 2.563
_____________ _____________
(total) 54.59 16.83
Aqueous species molality mg/kg sol'n act. coef. log act.
------------------------------------------------------------------------------------------
HCO3- 0.1228 7369. 0.7520 -1.0346
CO2(aq) 0.1190 5150. 1.0000 -0.9245
NH4+ 0.08810 1563. 0.7197 -1.1979
Cl- 0.01911 666.3 0.7314 -1.8547
Na+ 0.01340 303.0 0.7520 -1.9967
Ni++ 0.008806 508.3 0.3655 -2.4924
Mg++ 0.008282 198.0 0.4162 -2.4626
MgHCO3+ 0.005086 426.8 0.7520 -2.4174
NaHCO3(aq) 0.002198 181.6 1.0000 -2.6579
K+ 0.001063 40.87 0.7314 -3.1094
H2S(aq) 9.642e-05 3.232 1.0000 -4.0158
Acetate 5.785e-05 3.360 0.7613 -4.3561
MgCl+ 5.716e-05 3.359 0.7520 -4.3667
Ca++ 2.716e-05 1.071 0.3655 -5.0032
SiO2(aq) 2.334e-05 1.379 1.0000 -4.6319
NaCl(aq) 2.089e-05 1.201 1.0000 -4.6800
CO3-- 2.012e-05 1.187 0.3224 -5.1881
Fe++ 1.961e-05 1.077 0.3655 -5.1446
MgCO3(aq) 1.712e-05 1.420 1.0000 -4.7665
NH3(aq) 1.598e-05 0.2677 1.0000 -4.7964
CaHCO3+ 1.517e-05 1.509 0.7520 -4.9427
HS- 1.474e-05 0.4794 0.7421 -4.9611
NiCH3COO+ 8.828e-06 1.022 0.7520 -5.1779
MgCH3COO+ 6.374e-06 0.5226 0.7520 -5.3193
NiCl+ 5.401e-06 0.5001 0.7520 -5.3913
Ethane(aq) 4.917e-06 0.1454 1.0000 -5.3083
NH4CH3COO(aq) 4.754e-06 0.3604 1.0000 -5.3230
Acetamide(aq) 3.360e-06 0.1952 1.0000 -5.4736
N2(aq) 2.035e-06 0.05606 1.0000 -5.6915
Acetic_acid(aq) 9.005e-07 0.05319 1.0000 -6.0455
Ni(NH3)2++ 8.236e-07 0.07514 0.3224 -6.5759
NaCO3- 5.598e-07 0.04570 0.7520 -6.3757
H+ 4.115e-07 0.0004079 0.8224 -6.4706
NaCH3COO(aq) 4.019e-07 0.03242 1.0000 -6.3959
Formate 2.223e-07 0.009845 0.7421 -6.7825
Propanoate 2.137e-07 0.01536 0.7520 -6.7940
KCl(aq) 2.119e-07 0.01554 1.0000 -6.6738
Ni(For)+ 9.472e-08 0.009662 0.7520 -7.1473
FeCl+ 9.379e-08 0.008423 0.7520 -7.1516
CaCO3(aq) 8.525e-08 0.008392 1.0000 -7.0693
CaCl+ 3.917e-08 0.002910 0.7520 -7.5308
Mg(For)+ 3.556e-08 0.002424 0.7520 -7.5728
Ni(Prop)+ 3.422e-08 0.004435 0.7520 -7.5895
KCH3COO(aq) 1.745e-08 0.001685 1.0000 -7.7581
FeCH3COO+ 1.125e-08 0.001272 0.7520 -8.0724
(only species > 1e-8 molal listed)
Mineral saturation states log Q/K log Q/K
-----------------------------------------------------------------------------------------------
Polydymite 32.8102s/sat Cristobalite(alpha) -0.6106
Heazlewoodite 17.1954s/sat Coesite -0.8796
Vaesite 13.0403s/sat Cristobalite(beta) -1.1306
Pyrite 8.2760s/sat Maximum_Microcline -1.1721
Millerite 7.2894s/sat K-Feldspar -1.1765
C 4.4898s/sat SiO2(am) -1.5079
Dawsonite 0.5424s/sat Montmor-Mg -1.6728
Diaspore 0.2237s/sat Dolomite-dis -1.7407
Troilite 0.1079s/sat Beidellite-Mg -1.7657
Siderite 0.0000 sat Calcite -1.7929
Magnesite 0.0000 sat Montmor-K -1.8130
Kaolinite 0.0000 sat Montmor-Na -1.8737
Quartz 0.0000 sat Pyrophyllite -1.8789
Dolomite-ord 0.0000 sat Beidellite-K -1.9062
Ni2SiO4 0.0000 sat Illite -1.9367
Pyrrhotite 0.0000 sat Aragonite -1.9387
Dolomite -0.0001 Beidellite-Na -1.9602
Ice -0.0470 Montmor-Ca -2.1599
Tridymite -0.2064 Beidellite-Ca -2.1736
Boehmite -0.2245 Beidellite-H -2.4027
Gibbsite -0.2378 Sanidine_high -2.5490
Muscovite -0.2406 Monohydrocalcite -2.5788
Chalcedony -0.2960 Nahcolite -2.6258
(only minerals with log Q/K > -3 listed)
partial
Gases press. (bar) fugacity fug. coef. log fug.
-----------------------------------------------------------------------------------------
CH4(g) 100.2 100.0 0.9976 2.0000
CO2(g) 1.495 1.484 0.9932 0.1716
H2O(g) 0.005489 0.005026 0.9156 -2.2988
N2(g) 0.001913 0.001912 0.9995 -2.7185
H2S(g) 0.0004475 0.0004430 0.9900 -3.3536
H2(g) 5.192e-07 5.196e-07 1.001 -6.2843
NH3(g) 6.847e-08 6.766e-08 0.9882 -7.1697
CO(g) 2.732e-10 2.732e-10 1.000* -9.5634
HCl(g) 1.581e-16 1.581e-16 1.000* -15.8010
C2H4(g) 4.274e-17 4.274e-17 1.000* -16.3692
S2(g) 3.126e-23 3.126e-23 1.000* -22.5050
SO2(g) 2.323e-26 2.273e-26 0.9786 -25.6433
NO(g) 2.537e-58 2.537e-58 1.000* -57.5956
Cl2(g) 2.178e-62 2.178e-62 1.000* -61.6619
Na(g) 2.429e-64 2.429e-64 1.000* -63.6145
K(g) 4.646e-66 4.646e-66 1.000* -65.3329
O2(g) 1.935e-80 1.933e-80 0.9990 -79.7138
NO2(g) 9.454e-91 9.454e-91 1.000* -90.0244
Mg(g) 1.328e-105 1.328e-105 1.000* -104.8768
C(g) 2.528e-125 2.528e-125 1.000* -124.5973
Ca(g) 1.061e-132 1.061e-132 1.000* -131.9743
Al(g) 4.976e-151 4.976e-151 1.000* -150.3031
Si(g) 7.092e-164 7.092e-164 1.000* -163.1493
*no data, gas taken to be ideal
In fluid Sorbed
Original basis total moles moles mg/kg moles mg/kg
-------------------------------------------------------------------------------------------------
H2O 49.83 49.78 9.815e+05
Al+++ 0.01942 1.869e-09 5.519e-05
Ca++ 0.01320 3.817e-05 1.674
Cl- 0.01725 0.01725 669.2
Fe++ 0.1969 1.772e-05 1.083
H+ -0.1972 0.1864 205.6
HCO3- 0.5453 0.2240 1.496e+04
HPO4-- 9.369e-12 9.369e-12 9.841e-07
K+ 0.0009555 0.0009555 40.88
Mg++ 0.2330 0.01209 321.5
Mn++ 1.637e-11 1.637e-11 9.841e-07
NH3(aq) 0.07920 0.07920 1476.
Na+ 0.01404 0.01404 353.2
Ni++ 0.009908 0.007928 509.2
O2(aq) -0.2197 -0.0003619 -12.67
SO4-- 0.1098 9.991e-05 10.50
SiO2(aq) 0.2232 2.098e-05 1.380
In fluid Sorbed
Elemental composition total moles moles mg/kg moles mg/kg
-------------------------------------------------------------------------------------------------
Aluminum 0.01942 1.869e-09 5.519e-05
Calcium 0.01320 3.817e-05 1.674
Carbon 0.5453 0.2240 2945.
Chlorine 0.01725 0.01725 669.2
Hydrogen 100.2 100.2 1.105e+05
Iron 0.1969 1.772e-05 1.083
Magnesium 0.2330 0.01209 321.5
Manganese 1.637e-11 1.637e-11 9.841e-07
Nickel 0.009908 0.007928 509.2
Nitrogen 0.07920 0.07920 1214.
Oxygen 51.91 50.45 8.834e+05
Phosphorus 9.369e-12 9.369e-12 3.176e-07
Potassium 0.0009555 0.0009555 40.88
Silicon 0.2232 2.098e-05 0.6449
Sodium 0.01404 0.01404 353.2
Sulfur 0.1098 9.991e-05 3.506
Step # 676 Xi = 0.6000
Temperature = 0.0 C Pressure = 1.013 bar
pH = 6.445 log fO2 = -79.667
Eh = -0.1951 volts pe = -3.6008
Ionic strength = 0.182427 molal
Activity of water = 0.999339
Solvent mass = 0.89864 kg
Solution mass = 0.91649 kg
Mineral mass = 0.065747 kg
Fluid density = 1.013 g/cm3
compressibility = 4.810e-05 /bar
expansivity = 7.887e-05 /C
viscosity = 0.018 poise
Chlorinity = 0.019193 molal
Dissolved solids = 19480 mg/kg sol'n
Elect. conductivity = 14310.20 uS/cm (or umho/cm)
Hardness = 1304.87 mg/kg sol'n as CaCO3
carbonate = 1304.87 mg/kg sol'n as CaCO3
non-carbonate = 0.00 mg/kg sol'n as CaCO3
Carbonate alkalinity= 7337.11 mg/kg sol'n as CaCO3
Water type = NH4-HCO3
Bulk volume = 925. cm3
Fluid volume = 905. cm3
Mineral volume = 20.3 cm3
Inert volume = 0.00 cm3
Porosity = 97.8 %
Permeability = 46.3 cm2
Mass reacted = 83 g
moles moles grams cm3 rxn rate
Reactants remaining reacted reacted reacted (molal/sec)
---------------------------------------------------------------------------------------------------------
Al2O3 0.007768 0.01165 1.188 -- --
CH4(g) (fixed fug.) -0.05745 -0.9216 -- --
CO2(aq) 0.4086 0.6130 26.98 -- --
CaO 0.01056 0.01584 0.8880 -- --
FeO 0.1576 0.2363 16.98 2.836 --
Formaldehyde(aq) 0.02396 0.03594 1.079 -- --
H2S(aq) 0.000 0.000 0.000 -- --
HCN(aq) 0.000 0.000 0.000 -- --
K2O 0.0003822 0.0005733 0.05400 0.02315 --
Methanol(aq) 0.04490 0.06735 2.158 -- --
MgO 0.1864 0.2796 11.27 -- --
MnO 0.000 0.000 0.000 -- --
N2(g) 0.000 0.000 0.000 -- --
NH3(aq) 0.06336 0.09504 1.619 -- --
Na2O 0.005615 0.008422 0.5220 0.2106 --
NiO 0.007926 0.01189 0.8880 -- --
P2O5 0.000 0.000 0.000 -- --
S 0.08782 0.1317 4.224 2.043 --
SO2(g) 0.000 0.000 0.000 -- --
SO4-- 0.000 0.000 0.000 -- --
SiO2 0.1785 0.2678 16.09 -- --
Minerals in system moles log moles grams volume (cm3)
-------------------------------------------------------------------------------------------
Dolomite-ord 0.01580 -1.801 2.913 1.016
Kaolinite 0.01165 -1.934 3.008 1.160
Magnesite 0.2519 -0.599 21.24 7.057
Ni2SiO4 0.001322 -2.879 0.2769 0.05632
Pyrrhotite 0.1316 -0.881 11.57 2.395
Quartz 0.2432 -0.614 14.61 5.517
Siderite 0.1047 -0.980 12.13 3.076
_____________ _____________
(total) 65.75 20.28
Aqueous species molality mg/kg sol'n act. coef. log act.
------------------------------------------------------------------------------------------
CO2(aq) 0.1473 6358. 1.0000 -0.8317
HCO3- 0.1451 8682. 0.7434 -0.9670
NH4+ 0.1057 1870. 0.7084 -1.1256
Cl- 0.01911 664.3 0.7210 -1.8608
Na+ 0.01574 354.7 0.7434 -1.9318
Ni++ 0.01027 591.0 0.3521 -2.4418
Mg++ 0.007725 184.1 0.4048 -2.5049
MgHCO3+ 0.005453 456.2 0.7434 -2.3921
NaHCO3(aq) 0.002982 245.6 1.0000 -2.5255
K+ 0.001276 48.90 0.7210 -3.0364
H2S(aq) 0.0001194 3.990 1.0000 -3.9230
Acetate 6.830e-05 3.954 0.7534 -4.2886
MgCl+ 5.173e-05 3.031 0.7434 -4.4151
Ca++ 2.558e-05 1.005 0.3521 -5.0455
NaCl(aq) 2.392e-05 1.371 1.0000 -4.6212
SiO2(aq) 2.334e-05 1.375 1.0000 -4.6319
CO3-- 2.326e-05 1.368 0.3073 -5.1458
Fe++ 1.847e-05 1.011 0.3521 -5.1869
NH3(aq) 1.781e-05 0.2974 1.0000 -4.7493
HS- 1.744e-05 0.5656 0.7326 -4.8935
MgCO3(aq) 1.712e-05 1.415 1.0000 -4.7665
CaHCO3+ 1.627e-05 1.613 0.7434 -4.9174
NiCH3COO+ 1.172e-05 1.353 0.7434 -5.0598
MgCH3COO+ 6.835e-06 0.5586 0.7434 -5.2940
NH4CH3COO(aq) 6.560e-06 0.4958 1.0000 -5.1831
NiCl+ 6.053e-06 0.5587 0.7434 -5.3468
Ethane(aq) 5.187e-06 0.1529 1.0000 -5.2851
Acetamide(aq) 4.637e-06 0.2686 1.0000 -5.3337
N2(aq) 2.966e-06 0.08147 1.0000 -5.5278
Ni(NH3)2++ 1.205e-06 0.1096 0.3073 -6.4313
Acetic_acid(aq) 1.115e-06 0.06566 1.0000 -5.9527
NaCO3- 7.248e-07 0.05898 0.7434 -6.2686
NaCH3COO(aq) 5.451e-07 0.04385 1.0000 -6.2635
H+ 4.381e-07 0.0004330 0.8186 -6.4453
Propanoate 2.664e-07 0.01909 0.7434 -6.7032
Formate 2.494e-07 0.01101 0.7326 -6.7382
KCl(aq) 2.473e-07 0.01807 1.0000 -6.6068
Ni(For)+ 1.192e-07 0.01212 0.7434 -7.0524
CaCO3(aq) 8.525e-08 0.008366 1.0000 -7.0693
FeCl+ 8.488e-08 0.007599 0.7434 -7.2000
Ni(Prop)+ 4.793e-08 0.006192 0.7434 -7.4482
Mg(For)+ 3.614e-08 0.002457 0.7434 -7.5708
CaCl+ 3.545e-08 0.002625 0.7434 -7.5792
KCH3COO(aq) 2.413e-08 0.002322 1.0000 -7.6175
FeCH3COO+ 1.207e-08 0.001359 0.7434 -8.0471
(only species > 1e-8 molal listed)
Mineral saturation states log Q/K log Q/K
-----------------------------------------------------------------------------------------------
Polydymite 33.2047s/sat Cristobalite(alpha) -0.6106
Heazlewoodite 17.3578s/sat Coesite -0.8796
Vaesite 13.2491s/sat Maximum_Microcline -1.1244
Pyrite 8.3921s/sat K-Feldspar -1.1288
Millerite 7.3823s/sat Cristobalite(beta) -1.1306
C 4.5362s/sat SiO2(am) -1.5079
Dawsonite 0.6749s/sat Montmor-Mg -1.7187
Diaspore 0.2237s/sat Dolomite-dis -1.7407
Troilite 0.1079s/sat Beidellite-Mg -1.7811
Siderite 0.0000 sat Calcite -1.7929
Magnesite 0.0000 sat Montmor-K -1.8279
Kaolinite 0.0000 sat Pyrophyllite -1.8789
Quartz 0.0000 sat Beidellite-K -1.8904
Dolomite-ord 0.0000 sat Montmor-Na -1.8912
Ni2SiO4 0.0000 sat Illite -1.9312
Pyrrhotite 0.0000 sat Aragonite -1.9387
Dolomite -0.0001 Beidellite-Na -1.9472
Ice -0.0470 Beidellite-Ca -2.1890
Muscovite -0.1928 Montmor-Ca -2.2058
Tridymite -0.2064 Beidellite-H -2.4027
Boehmite -0.2245 Nahcolite -2.4934
Gibbsite -0.2378 Sanidine_high -2.5013
Chalcedony -0.2960 Monohydrocalcite -2.5788
(only minerals with log Q/K > -3 listed)
partial
Gases press. (bar) fugacity fug. coef. log fug.
-----------------------------------------------------------------------------------------
CH4(g) 100.2 100.0 0.9976 2.0000
CO2(g) 1.851 1.838 0.9932 0.2644
H2O(g) 0.005489 0.005026 0.9156 -2.2988
N2(g) 0.002789 0.002787 0.9995 -2.5548
H2S(g) 0.0005541 0.0005486 0.9900 -3.2608
H2(g) 4.922e-07 4.926e-07 1.001 -6.3075
NH3(g) 7.630e-08 7.540e-08 0.9882 -7.1226
CO(g) 3.208e-10 3.208e-10 1.000* -9.4938
HCl(g) 1.653e-16 1.653e-16 1.000* -15.7818
C2H4(g) 4.756e-17 4.756e-17 1.000* -16.3228
S2(g) 5.334e-23 5.334e-23 1.000* -22.2729
SO2(g) 3.377e-26 3.305e-26 0.9786 -25.4809
NO(g) 3.232e-58 3.232e-58 1.000* -57.4906
Cl2(g) 2.510e-62 2.510e-62 1.000* -61.6003
Na(g) 2.591e-64 2.591e-64 1.000* -63.5865
K(g) 5.050e-66 5.050e-66 1.000* -65.2967
O2(g) 2.153e-80 2.151e-80 0.9990 -79.6674
NO2(g) 1.270e-90 1.270e-90 1.000* -89.8961
Mg(g) 1.017e-105 1.017e-105 1.000* -104.9929
C(g) 2.813e-125 2.813e-125 1.000* -124.5509
Ca(g) 8.122e-133 8.122e-133 1.000* -132.0904
Al(g) 4.593e-151 4.593e-151 1.000* -150.3379
Si(g) 6.373e-164 6.373e-164 1.000* -163.1957
*no data, gas taken to be ideal
In fluid Sorbed
Original basis total moles moles mg/kg moles mg/kg
-------------------------------------------------------------------------------------------------
H2O 49.81 49.75 9.779e+05
Al+++ 0.02330 2.125e-09 6.257e-05
Ca++ 0.01584 3.772e-05 1.649
Cl- 0.01725 0.01725 667.2
Fe++ 0.2363 1.669e-05 1.017
H+ -0.2357 0.2277 250.4
HCO3- 0.6588 0.2706 1.802e+04
HPO4-- 9.369e-12 9.369e-12 9.812e-07
K+ 0.001147 0.001147 48.91
Mg++ 0.2796 0.01191 315.9
Mn++ 1.637e-11 1.637e-11 9.812e-07
NH3(aq) 0.09504 0.09504 1766.
Na+ 0.01684 0.01684 422.5
Ni++ 0.01189 0.009246 592.1
O2(aq) -0.2636 -0.0004389 -15.32
SO4-- 0.1317 0.0001230 12.89
SiO2(aq) 0.2678 2.098e-05 1.375
In fluid Sorbed
Elemental composition total moles moles mg/kg moles mg/kg
-------------------------------------------------------------------------------------------------
Aluminum 0.02330 2.125e-09 6.257e-05
Calcium 0.01584 3.772e-05 1.649
Carbon 0.6588 0.2706 3547.
Chlorine 0.01725 0.01725 667.2
Hydrogen 100.3 100.3 1.103e+05
Iron 0.2363 1.669e-05 1.017
Magnesium 0.2796 0.01191 315.9
Manganese 1.637e-11 1.637e-11 9.812e-07
Nickel 0.01189 0.009246 592.1
Nitrogen 0.09504 0.09504 1453.
Oxygen 52.32 50.56 8.827e+05
Phosphorus 9.369e-12 9.369e-12 3.166e-07
Potassium 0.001147 0.001147 48.91
Silicon 0.2678 2.098e-05 0.6429
Sodium 0.01684 0.01684 422.5
Sulfur 0.1317 0.0001230 4.303
Step # 776 Xi = 0.7000
Temperature = 0.0 C Pressure = 1.013 bar
pH = 6.426 log fO2 = -79.629
Eh = -0.1936 volts pe = -3.5715
Ionic strength = 0.205462 molal
Activity of water = 0.999339
Solvent mass = 0.89853 kg
Solution mass = 0.91922 kg
Mineral mass = 0.076910 kg
Fluid density = 1.015 g/cm3
compressibility = 4.806e-05 /bar
expansivity = 7.889e-05 /C
viscosity = 0.018 poise
Chlorinity = 0.019195 molal
Dissolved solids = 22505 mg/kg sol'n
Elect. conductivity = 16101.48 uS/cm (or umho/cm)
Hardness = 1284.83 mg/kg sol'n as CaCO3
carbonate = 1284.83 mg/kg sol'n as CaCO3
non-carbonate = 0.00 mg/kg sol'n as CaCO3
Carbonate alkalinity= 8423.29 mg/kg sol'n as CaCO3
Water type = NH4-HCO3
Bulk volume = 929. cm3
Fluid volume = 905. cm3
Mineral volume = 23.7 cm3
Inert volume = 0.00 cm3
Porosity = 97.4 %
Permeability = 40.9 cm2
Mass reacted = 96.9 g
moles moles grams cm3 rxn rate
Reactants remaining reacted reacted reacted (molal/sec)
---------------------------------------------------------------------------------------------------------
Al2O3 0.005826 0.01359 1.386 -- --
CH4(g) (fixed fug.) -0.06336 -1.016 -- --
CO2(aq) 0.3065 0.7151 31.47 -- --
CaO 0.007918 0.01847 1.036 -- --
FeO 0.1182 0.2757 19.81 3.309 --
Formaldehyde(aq) 0.01797 0.04193 1.259 -- --
H2S(aq) 0.000 0.000 0.000 -- --
HCN(aq) 0.000 0.000 0.000 -- --
K2O 0.0002866 0.0006688 0.06300 0.02701 --
Methanol(aq) 0.03368 0.07858 2.518 -- --
MgO 0.1398 0.3262 13.15 -- --
MnO 0.000 0.000 0.000 -- --
N2(g) 0.000 0.000 0.000 -- --
NH3(aq) 0.04752 0.1109 1.888 -- --
Na2O 0.004211 0.009826 0.6090 0.2456 --
NiO 0.005945 0.01387 1.036 -- --
P2O5 0.000 0.000 0.000 -- --
S 0.06586 0.1537 4.928 2.384 --
SO2(g) 0.000 0.000 0.000 -- --
SO4-- 0.000 0.000 0.000 -- --
SiO2 0.1339 0.3125 18.77 -- --
Minerals in system moles log moles grams volume (cm3)
-------------------------------------------------------------------------------------------
Dolomite-ord 0.01844 -1.734 3.400 1.186
Kaolinite 0.01359 -1.867 3.509 1.353
Magnesite 0.2960 -0.529 24.95 8.292
Ni2SiO4 0.001707 -2.768 0.3575 0.07273
Pyrrhotite 0.1535 -0.814 13.50 2.794
Quartz 0.2835 -0.547 17.04 6.433
Siderite 0.1222 -0.913 14.15 3.589
_____________ _____________
(total) 76.91 23.72
Aqueous species molality mg/kg sol'n act. coef. log act.
------------------------------------------------------------------------------------------
CO2(aq) 0.1759 7567. 1.0000 -0.7547
HCO3- 0.1673 9976. 0.7360 -0.9098
NH4+ 0.1234 2175. 0.6984 -1.0647
Cl- 0.01911 662.4 0.7120 -1.8662
Na+ 0.01799 404.3 0.7360 -1.8781
Ni++ 0.01161 666.3 0.3408 -2.4025
Mg++ 0.007256 172.4 0.3952 -2.5425
MgHCO3+ 0.005764 480.7 0.7360 -2.3724
NaHCO3(aq) 0.003851 316.2 1.0000 -2.4144
K+ 0.001488 56.88 0.7120 -2.9748
H2S(aq) 0.0001426 4.749 1.0000 -3.8460
Acetate 7.864e-05 4.539 0.7466 -4.2313
MgCl+ 4.732e-05 2.764 0.7360 -4.4581
NaCl(aq) 2.674e-05 1.528 1.0000 -4.5728
CO3-- 2.645e-05 1.551 0.2947 -5.1082
Ca++ 2.423e-05 0.9493 0.3408 -5.0831
SiO2(aq) 2.334e-05 1.371 1.0000 -4.6319
HS- 2.012e-05 0.6506 0.7245 -4.8363
NH3(aq) 1.958e-05 0.3260 1.0000 -4.7082
Fe++ 1.750e-05 0.9552 0.3408 -5.2245
CaHCO3+ 1.719e-05 1.699 0.7360 -4.8977
MgCO3(aq) 1.712e-05 1.411 1.0000 -4.7665
NiCH3COO+ 1.479e-05 1.702 0.7360 -4.9631
NH4CH3COO(aq) 8.610e-06 0.6487 1.0000 -5.0650
MgCH3COO+ 7.224e-06 0.5886 0.7360 -5.2744
NiCl+ 6.612e-06 0.6084 0.7360 -5.3128
Acetamide(aq) 6.087e-06 0.3514 1.0000 -5.2156
Ethane(aq) 5.422e-06 0.1594 1.0000 -5.2658
N2(aq) 4.095e-06 0.1121 1.0000 -5.3878
Ni(NH3)2++ 1.663e-06 0.1508 0.2947 -6.3096
Acetic_acid(aq) 1.331e-06 0.07815 1.0000 -5.8757
NaCO3- 9.036e-07 0.07331 0.7360 -6.1772
NaCH3COO(aq) 7.040e-07 0.05645 1.0000 -6.1524
H+ 4.601e-07 0.0004533 0.8156 -6.4256
Propanoate 3.209e-07 0.02292 0.7360 -6.6267
KCl(aq) 2.814e-07 0.02051 1.0000 -6.5507
Formate 2.753e-07 0.01212 0.7245 -6.7001
Ni(For)+ 1.439e-07 0.01459 0.7360 -6.9750
CaCO3(aq) 8.525e-08 0.008341 1.0000 -7.0693
FeCl+ 7.765e-08 0.006930 0.7360 -7.2430
Ni(Prop)+ 6.322e-08 0.008143 0.7360 -7.3323
Mg(For)+ 3.654e-08 0.002476 0.7360 -7.5703
CaCl+ 3.243e-08 0.002394 0.7360 -7.6222
KCH3COO(aq) 3.172e-08 0.003043 1.0000 -7.4987
FeCH3COO+ 1.275e-08 0.001432 0.7360 -8.0275
Ni(CH3COO)2(aq) 1.087e-08 0.001879 1.0000 -7.9637
(only species > 1e-8 molal listed)
Mineral saturation states log Q/K log Q/K
-----------------------------------------------------------------------------------------------
Polydymite 33.5319s/sat Cristobalite(alpha) -0.6106
Heazlewoodite 17.4925s/sat Coesite -0.8796
Vaesite 13.4223s/sat Maximum_Microcline -1.0825
Pyrite 8.4883s/sat K-Feldspar -1.0869
Millerite 7.4592s/sat Cristobalite(beta) -1.1306
C 4.5747s/sat SiO2(am) -1.5079
Dawsonite 0.7859s/sat Dolomite-dis -1.7407
Diaspore 0.2237s/sat Montmor-Mg -1.7568
Troilite 0.1079s/sat Calcite -1.7929
Magnesite 0.0000 sat Beidellite-Mg -1.7938
Kaolinite 0.0000 sat Montmor-K -1.8395
Siderite 0.0000 sat Beidellite-K -1.8766
Quartz 0.0000 sat Pyrophyllite -1.8789
Dolomite-ord 0.0000 sat Montmor-Na -1.9054
Ni2SiO4 0.0000 sat Illite -1.9253
Pyrrhotite 0.0000 sat Beidellite-Na -1.9359
Dolomite -0.0001 Aragonite -1.9387
Ice -0.0470 Beidellite-Ca -2.2017
Muscovite -0.1509 Montmor-Ca -2.2439
Tridymite -0.2064 Nahcolite -2.3823
Boehmite -0.2245 Beidellite-H -2.4027
Gibbsite -0.2378 Sanidine_high -2.4594
Chalcedony -0.2960 Monohydrocalcite -2.5788
(only minerals with log Q/K > -3 listed)
partial
Gases press. (bar) fugacity fug. coef. log fug.
-----------------------------------------------------------------------------------------
CH4(g) 100.2 100.0 0.9976 2.0000
CO2(g) 2.210 2.195 0.9932 0.3414
H2O(g) 0.005489 0.005026 0.9156 -2.2988
N2(g) 0.003850 0.003848 0.9995 -2.4148
H2S(g) 0.0006616 0.0006549 0.9900 -3.1838
H2(g) 4.708e-07 4.712e-07 1.001 -6.3268
NH3(g) 8.389e-08 8.289e-08 0.9882 -7.0815
CO(g) 3.664e-10 3.664e-10 1.000* -9.4361
HCl(g) 1.708e-16 1.708e-16 1.000* -15.7675
C2H4(g) 5.197e-17 5.197e-17 1.000* -16.2843
S2(g) 8.308e-23 8.308e-23 1.000* -22.0805
SO2(g) 4.605e-26 4.506e-26 0.9786 -25.3462
NO(g) 3.969e-58 3.969e-58 1.000* -57.4013
Cl2(g) 2.802e-62 2.802e-62 1.000* -61.5525
Na(g) 2.741e-64 2.741e-64 1.000* -63.5621
K(g) 5.439e-66 5.439e-66 1.000* -65.2645
O2(g) 2.352e-80 2.350e-80 0.9990 -79.6289
NO2(g) 1.631e-90 1.631e-90 1.000* -89.7876
Mg(g) 8.146e-106 8.146e-106 1.000* -105.0891
C(g) 3.073e-125 3.073e-125 1.000* -124.5124
Ca(g) 6.508e-133 6.508e-133 1.000* -132.1866
Al(g) 4.298e-151 4.298e-151 1.000* -150.3668
Si(g) 5.832e-164 5.832e-164 1.000* -163.2342
*no data, gas taken to be ideal
In fluid Sorbed
Original basis total moles moles mg/kg moles mg/kg
-------------------------------------------------------------------------------------------------
H2O 49.79 49.72 9.744e+05
Al+++ 0.02719 2.367e-09 6.948e-05
Ca++ 0.01847 3.733e-05 1.628
Cl- 0.01725 0.01725 665.2
Fe++ 0.2757 1.580e-05 0.9601
H+ -0.2741 0.2693 295.2
HCO3- 0.7723 0.3173 2.106e+04
HPO4-- 9.369e-12 9.369e-12 9.782e-07
K+ 0.001338 0.001338 56.90
Mg++ 0.3262 0.01176 311.0
Mn++ 1.637e-11 1.637e-11 9.782e-07
NH3(aq) 0.1109 0.1109 2054.
Na+ 0.01965 0.01965 491.5
Ni++ 0.01387 0.01046 667.6
O2(aq) -0.3076 -0.0005165 -17.98
SO4-- 0.1537 0.0001462 15.28
SiO2(aq) 0.3125 2.098e-05 1.371
In fluid Sorbed
Elemental composition total moles moles mg/kg moles mg/kg
-------------------------------------------------------------------------------------------------
Aluminum 0.02719 2.367e-09 6.948e-05
Calcium 0.01847 3.733e-05 1.628
Carbon 0.7723 0.3173 4145.
Chlorine 0.01725 0.01725 665.2
Hydrogen 100.4 100.4 1.100e+05
Iron 0.2757 1.580e-05 0.9601
Magnesium 0.3262 0.01176 311.0
Manganese 1.637e-11 1.637e-11 9.782e-07
Nickel 0.01387 0.01046 667.6
Nitrogen 0.1109 0.1109 1690.
Oxygen 52.73 50.67 8.819e+05
Phosphorus 9.369e-12 9.369e-12 3.157e-07
Potassium 0.001338 0.001338 56.90
Silicon 0.3125 2.098e-05 0.6410
Sodium 0.01965 0.01965 491.5
Sulfur 0.1537 0.0001462 5.099
Step # 876 Xi = 0.8000
Temperature = 0.0 C Pressure = 1.013 bar
pH = 6.410 log fO2 = -79.596
Eh = -0.1922 volts pe = -3.5474
Ionic strength = 0.228302 molal
Activity of water = 0.999339
Solvent mass = 0.89843 kg
Solution mass = 0.92195 kg
Mineral mass = 0.088078 kg
Fluid density = 1.017 g/cm3
compressibility = 4.802e-05 /bar
expansivity = 7.896e-05 /C
viscosity = 0.018 poise
Chlorinity = 0.019197 molal
Dissolved solids = 25506 mg/kg sol'n
Elect. conductivity = 17864.41 uS/cm (or umho/cm)
Hardness = 1267.62 mg/kg sol'n as CaCO3
carbonate = 1267.62 mg/kg sol'n as CaCO3
non-carbonate = 0.00 mg/kg sol'n as CaCO3
Carbonate alkalinity= 9495.50 mg/kg sol'n as CaCO3
Water type = NH4-HCO3
Bulk volume = 933. cm3
Fluid volume = 906. cm3
Mineral volume = 27.2 cm3
Inert volume = 0.00 cm3
Porosity = 97.1 %
Permeability = 36.1 cm2
Mass reacted = 111 g
moles moles grams cm3 rxn rate
Reactants remaining reacted reacted reacted (molal/sec)
---------------------------------------------------------------------------------------------------------
Al2O3 0.003884 0.01554 1.584 -- --
CH4(g) (fixed fug.) -0.06927 -1.111 -- --
CO2(aq) 0.2043 0.8173 35.97 -- --
CaO 0.005278 0.02111 1.184 -- --
FeO 0.07878 0.3151 22.64 3.781 --
Formaldehyde(aq) 0.01198 0.04792 1.439 -- --
H2S(aq) 0.000 0.000 0.000 -- --
HCN(aq) 0.000 0.000 0.000 -- --
K2O 0.0001911 0.0007644 0.07200 0.03087 --
Methanol(aq) 0.02245 0.08980 2.878 -- --
MgO 0.09319 0.3728 15.02 -- --
MnO 0.000 0.000 0.000 -- --
N2(g) 0.000 0.000 0.000 -- --
NH3(aq) 0.03168 0.1267 2.158 -- --
Na2O 0.002807 0.01123 0.6960 0.2807 --
NiO 0.003963 0.01585 1.184 -- --
P2O5 0.000 0.000 0.000 -- --
S 0.04391 0.1756 5.632 2.724 --
SO2(g) 0.000 0.000 0.000 -- --
SO4-- 0.000 0.000 0.000 -- --
SiO2 0.08927 0.3571 21.46 -- --
Minerals in system moles log moles grams volume (cm3)
-------------------------------------------------------------------------------------------
Dolomite-ord 0.02108 -1.676 3.887 1.356
Kaolinite 0.01554 -1.809 4.011 1.546
Magnesite 0.3400 -0.468 28.67 9.527
Ni2SiO4 0.002135 -2.671 0.4472 0.09097
Pyrrhotite 0.1755 -0.756 15.43 3.194
Quartz 0.3239 -0.490 19.46 7.348
Siderite 0.1396 -0.855 16.18 4.102
_____________ _____________
(total) 88.08 27.16
Aqueous species molality mg/kg sol'n act. coef. log act.
------------------------------------------------------------------------------------------
CO2(aq) 0.2046 8777. 1.0000 -0.6890
HCO3- 0.1892 1.125e+04 0.7295 -0.8600
NH4+ 0.1410 2478. 0.6896 -1.0122
Na+ 0.02017 451.8 0.7295 -1.8323
Cl- 0.01912 660.5 0.7040 -1.8710
Ni++ 0.01286 735.8 0.3312 -2.3705
Mg++ 0.006854 162.3 0.3871 -2.5763
MgHCO3+ 0.006033 501.6 0.7295 -2.3565
NaHCO3(aq) 0.004798 392.8 1.0000 -2.3189
K+ 0.001701 64.82 0.7040 -2.9217
H2S(aq) 0.0001659 5.508 1.0000 -3.7803
Acetate 8.888e-05 5.114 0.7408 -4.1815
MgCl+ 4.368e-05 2.544 0.7295 -4.4967
CO3-- 2.968e-05 1.736 0.2838 -5.0744
NaCl(aq) 2.938e-05 1.673 1.0000 -4.5319
SiO2(aq) 2.334e-05 1.367 1.0000 -4.6319
Ca++ 2.307e-05 0.9010 0.3312 -5.1169
HS- 2.279e-05 0.7346 0.7173 -4.7865
NH3(aq) 2.130e-05 0.3535 1.0000 -4.6716
NiCH3COO+ 1.801e-05 2.066 0.7295 -4.8814
CaHCO3+ 1.800e-05 1.773 0.7295 -4.8818
MgCO3(aq) 1.712e-05 1.407 1.0000 -4.7665
Fe++ 1.666e-05 0.9066 0.3312 -5.2583
NH4CH3COO(aq) 1.090e-05 0.8185 1.0000 -4.9627
Acetamide(aq) 7.703e-06 0.4434 1.0000 -5.1133
MgCH3COO+ 7.561e-06 0.6141 0.7295 -5.2584
NiCl+ 7.100e-06 0.6514 0.7295 -5.2857
Ethane(aq) 5.631e-06 0.1650 1.0000 -5.2494
N2(aq) 5.428e-06 0.1482 1.0000 -5.2654
Ni(NH3)2++ 2.199e-06 0.1988 0.2838 -6.2046
Acetic_acid(aq) 1.549e-06 0.09064 1.0000 -5.8100
NaCO3- 1.095e-06 0.08855 0.7295 -6.0976
NaCH3COO(aq) 8.772e-07 0.07012 1.0000 -6.0569
H+ 4.788e-07 0.0004703 0.8131 -6.4097
Propanoate 3.771e-07 0.02685 0.7295 -6.5605
KCl(aq) 3.145e-07 0.02285 1.0000 -6.5023
Formate 3.003e-07 0.01317 0.7173 -6.6668
Ni(For)+ 1.688e-07 0.01705 0.7295 -6.9097
CaCO3(aq) 8.525e-08 0.008315 1.0000 -7.0693
Ni(Prop)+ 7.995e-08 0.01027 0.7295 -7.2341
FeCl+ 7.168e-08 0.006378 0.7295 -7.2816
KCH3COO(aq) 4.020e-08 0.003845 1.0000 -7.3958
Mg(For)+ 3.683e-08 0.002488 0.7295 -7.5708
CaCl+ 2.994e-08 0.002204 0.7295 -7.6608
Ni(CH3COO)2(aq) 1.471e-08 0.002535 1.0000 -7.8323
FeCH3COO+ 1.335e-08 0.001495 0.7295 -8.0115
Propane(aq) 1.027e-08 0.0004411 1.0000 -7.9886
(only species > 1e-8 molal listed)
Mineral saturation states log Q/K log Q/K
-----------------------------------------------------------------------------------------------
Polydymite 33.8112s/sat Coesite -0.8796
Heazlewoodite 17.6076s/sat Maximum_Microcline -1.0453
Vaesite 13.5702s/sat K-Feldspar -1.0497
Pyrite 8.5704s/sat Cristobalite(beta) -1.1306
Millerite 7.5250s/sat SiO2(am) -1.5079
C 4.6076s/sat Dolomite-dis -1.7407
Dawsonite 0.8814s/sat Montmor-Mg -1.7894
Diaspore 0.2237s/sat Calcite -1.7929
Troilite 0.1079s/sat Beidellite-Mg -1.8046
Magnesite 0.0000 sat Montmor-K -1.8489
Kaolinite 0.0000 sat Beidellite-K -1.8644
Siderite 0.0000 sat Pyrophyllite -1.8789
Quartz 0.0000 sat Montmor-Na -1.9172
Dolomite-ord 0.0000 sat Illite -1.9194
Ni2SiO4 0.0000 sat Beidellite-Na -1.9261
Pyrrhotite 0.0000 sat Aragonite -1.9387
Dolomite -0.0001 Beidellite-Ca -2.2125
Ice -0.0470 Montmor-Ca -2.2765
Muscovite -0.1137 Nahcolite -2.2868
Tridymite -0.2064 Beidellite-H -2.4027
Boehmite -0.2245 Sanidine_high -2.4222
Gibbsite -0.2378 Monohydrocalcite -2.5788
Chalcedony -0.2960 S -2.9829
Cristobalite(alpha) -0.6106
(only minerals with log Q/K > -3 listed)
partial
Gases press. (bar) fugacity fug. coef. log fug.
-----------------------------------------------------------------------------------------
CH4(g) 100.2 100.0 0.9976 2.0000
CO2(g) 2.571 2.553 0.9932 0.4071
N2(g) 0.005103 0.005100 0.9995 -2.2924
H2O(g) 0.005489 0.005026 0.9156 -2.2988
H2S(g) 0.0007697 0.0007619 0.9900 -3.1181
H2(g) 4.534e-07 4.537e-07 1.001 -6.3432
NH3(g) 9.125e-08 9.017e-08 0.9882 -7.0449
CO(g) 4.104e-10 4.104e-10 1.000* -9.3868
HCl(g) 1.752e-16 1.752e-16 1.000* -15.7564
C2H4(g) 5.605e-17 5.605e-17 1.000* -16.2514
S2(g) 1.213e-22 1.213e-22 1.000* -21.9162
SO2(g) 6.001e-26 5.873e-26 0.9786 -25.2312
NO(g) 4.746e-58 4.746e-58 1.000* -57.3237
Cl2(g) 3.064e-62 3.064e-62 1.000* -61.5137
Na(g) 2.881e-64 2.881e-64 1.000* -63.5405
K(g) 5.814e-66 5.814e-66 1.000* -65.2355
O2(g) 2.537e-80 2.535e-80 0.9990 -79.5961
NO2(g) 2.025e-90 2.025e-90 1.000* -89.6936
Mg(g) 6.742e-106 6.742e-106 1.000* -105.1712
C(g) 3.315e-125 3.315e-125 1.000* -124.4795
Ca(g) 5.386e-133 5.386e-133 1.000* -132.2687
Al(g) 4.060e-151 4.060e-151 1.000* -150.3914
Si(g) 5.407e-164 5.407e-164 1.000* -163.2670
*no data, gas taken to be ideal
In fluid Sorbed
Original basis total moles moles mg/kg moles mg/kg
-------------------------------------------------------------------------------------------------
H2O 49.77 49.69 9.709e+05
Al+++ 0.03107 2.597e-09 7.601e-05
Ca++ 0.02111 3.701e-05 1.609
Cl- 0.01725 0.01725 663.2
Fe++ 0.3151 1.504e-05 0.9112
H+ -0.3126 0.3110 340.0
HCO3- 0.8857 0.3639 2.408e+04
HPO4-- 9.369e-12 9.369e-12 9.754e-07
K+ 0.001529 0.001529 64.83
Mg++ 0.3728 0.01164 306.8
Mn++ 1.637e-11 1.637e-11 9.754e-07
NH3(aq) 0.1267 0.1267 2341.
Na+ 0.02246 0.02246 560.0
Ni++ 0.01585 0.01158 737.3
O2(aq) -0.3515 -0.0005948 -20.64
SO4-- 0.1756 0.0001695 17.66
SiO2(aq) 0.3571 2.098e-05 1.367
In fluid Sorbed
Elemental composition total moles moles mg/kg moles mg/kg
-------------------------------------------------------------------------------------------------
Aluminum 0.03107 2.597e-09 7.601e-05
Calcium 0.02111 3.701e-05 1.609
Carbon 0.8857 0.3639 4741.
Chlorine 0.01725 0.01725 663.2
Hydrogen 100.5 100.4 1.098e+05
Iron 0.3151 1.504e-05 0.9112
Magnesium 0.3728 0.01164 306.8
Manganese 1.637e-11 1.637e-11 9.754e-07
Nickel 0.01585 0.01158 737.3
Nitrogen 0.1267 0.1267 1925.
Oxygen 53.14 50.78 8.812e+05
Phosphorus 9.369e-12 9.369e-12 3.148e-07
Potassium 0.001529 0.001529 64.83
Silicon 0.3571 2.098e-05 0.6390
Sodium 0.02246 0.02246 560.0
Sulfur 0.1756 0.0001695 5.895
Step # 976 Xi = 0.9000
Temperature = 0.0 C Pressure = 1.013 bar
pH = 6.396 log fO2 = -79.567
Eh = -0.1911 volts pe = -3.5268
Ionic strength = 0.250968 molal
Activity of water = 0.999339
Solvent mass = 0.89833 kg
Solution mass = 0.92467 kg
Mineral mass = 0.099250 kg
Fluid density = 1.019 g/cm3
compressibility = 4.797e-05 /bar
expansivity = 7.909e-05 /C
viscosity = 0.018 poise
Chlorinity = 0.019199 molal
Dissolved solids = 28484 mg/kg sol'n
Elect. conductivity = 19600.55 uS/cm (or umho/cm)
Hardness = 1252.74 mg/kg sol'n as CaCO3
carbonate = 1252.74 mg/kg sol'n as CaCO3
non-carbonate = 0.00 mg/kg sol'n as CaCO3
Carbonate alkalinity= 10554.84 mg/kg sol'n as CaCO3
Water type = NH4-HCO3
Bulk volume = 938. cm3
Fluid volume = 907. cm3
Mineral volume = 30.6 cm3
Inert volume = 0.00 cm3
Porosity = 96.7 %
Permeability = 32.0 cm2
Mass reacted = 125 g
moles moles grams cm3 rxn rate
Reactants remaining reacted reacted reacted (molal/sec)
---------------------------------------------------------------------------------------------------------
Al2O3 0.001942 0.01748 1.782 -- --
CH4(g) (fixed fug.) -0.07518 -1.206 -- --
CO2(aq) 0.1022 0.9195 40.46 -- --
CaO 0.002639 0.02375 1.332 -- --
FeO 0.03939 0.3545 25.47 4.254 --
Formaldehyde(aq) 0.005990 0.05391 1.619 -- --
H2S(aq) 0.000 0.000 0.000 -- --
HCN(aq) 0.000 0.000 0.000 -- --
K2O 9.555e-05 0.0008599 0.08100 0.03472 --
Methanol(aq) 0.01123 0.1010 3.237 -- --
MgO 0.04660 0.4194 16.90 -- --
MnO 0.000 0.000 0.000 -- --
N2(g) 0.000 0.000 0.000 -- --
NH3(aq) 0.01584 0.1426 2.428 -- --
Na2O 0.001404 0.01263 0.7830 0.3158 --
NiO 0.001982 0.01783 1.332 -- --
P2O5 0.000 0.000 0.000 -- --
S 0.02195 0.1976 6.336 3.065 --
SO2(g) 0.000 0.000 0.000 -- --
SO4-- 0.000 0.000 0.000 -- --
SiO2 0.04464 0.4017 24.14 -- --
Minerals in system moles log moles grams volume (cm3)
-------------------------------------------------------------------------------------------
Dolomite-ord 0.02372 -1.625 4.373 1.526
Kaolinite 0.01748 -1.758 4.512 1.739
Magnesite 0.3841 -0.416 32.39 10.76
Ni2SiO4 0.002598 -2.585 0.5442 0.1107
Pyrrhotite 0.1974 -0.705 17.35 3.593
Quartz 0.3642 -0.439 21.88 8.262
Siderite 0.1571 -0.804 18.20 4.615
_____________ _____________
(total) 99.25 30.61
Aqueous species molality mg/kg sol'n act. coef. log act.
------------------------------------------------------------------------------------------
CO2(aq) 0.2335 9985. 1.0000 -0.6317
HCO3- 0.2110 1.251e+04 0.7238 -0.8160
NH4+ 0.1586 2780. 0.6817 -0.9660
Na+ 0.02227 497.5 0.7238 -1.7926
Cl- 0.01912 658.5 0.6970 -1.8753
Ni++ 0.01404 800.3 0.3228 -2.3438
Mg++ 0.006506 153.6 0.3800 -2.6069
MgHCO3+ 0.006270 519.8 0.7238 -2.3431
NaHCO3(aq) 0.005818 474.8 1.0000 -2.2352
K+ 0.001914 72.70 0.6970 -2.8748
H2S(aq) 0.0001893 6.266 1.0000 -3.7230
Acetate 9.904e-05 5.681 0.7356 -4.1375
MgCl+ 4.062e-05 2.358 0.7238 -4.5316
CO3-- 3.294e-05 1.921 0.2744 -5.0438
NaCl(aq) 3.188e-05 1.810 1.0000 -4.4965
HS- 2.545e-05 0.8177 0.7109 -4.7425
SiO2(aq) 2.334e-05 1.362 1.0000 -4.6319
NH3(aq) 2.297e-05 0.3801 1.0000 -4.6388
Ca++ 2.206e-05 0.8588 0.3228 -5.1475
NiCH3COO+ 2.136e-05 2.443 0.7238 -4.8107
CaHCO3+ 1.871e-05 1.837 0.7238 -4.8684
MgCO3(aq) 1.712e-05 1.402 1.0000 -4.7665
Fe++ 1.593e-05 0.8642 0.3228 -5.2889
NH4CH3COO(aq) 1.341e-05 1.004 1.0000 -4.8726
Acetamide(aq) 9.480e-06 0.5440 1.0000 -5.0232
MgCH3COO+ 7.859e-06 0.6364 0.7238 -5.2450
NiCl+ 7.535e-06 0.6891 0.7238 -5.2633
N2(aq) 6.970e-06 0.1897 1.0000 -5.1567
Ethane(aq) 5.820e-06 0.1700 1.0000 -5.2351
Ni(NH3)2++ 2.814e-06 0.2536 0.2744 -6.1122
Acetic_acid(aq) 1.767e-06 0.1031 1.0000 -5.7527
NaCO3- 1.297e-06 0.1046 0.7238 -6.0273
NaCH3COO(aq) 1.064e-06 0.08476 1.0000 -5.9732
H+ 4.950e-07 0.0004847 0.8111 -6.3963
Propanoate 4.347e-07 0.03086 0.7238 -6.5022
KCl(aq) 3.468e-07 0.02512 1.0000 -6.4599
Formate 3.243e-07 0.01419 0.7109 -6.6372
Ni(For)+ 1.937e-07 0.01951 0.7238 -6.8534
Ni(Prop)+ 9.801e-08 0.01255 0.7238 -7.1491
CaCO3(aq) 8.525e-08 0.008290 1.0000 -7.0693
FeCl+ 6.666e-08 0.005913 0.7238 -7.3165
KCH3COO(aq) 4.955e-08 0.004724 1.0000 -7.3050
Mg(For)+ 3.704e-08 0.002494 0.7238 -7.5718
CaCl+ 2.784e-08 0.002043 0.7238 -7.6957
Ni(CH3COO)2(aq) 1.916e-08 0.003291 1.0000 -7.7176
FeCH3COO+ 1.388e-08 0.001549 0.7238 -7.9981
Propane(aq) 1.097e-08 0.0004698 1.0000 -7.9599
Propanoic_acid(aq) 1.017e-08 0.0007317 1.0000 -7.9928
(only species > 1e-8 molal listed)
Mineral saturation states log Q/K log Q/K
-----------------------------------------------------------------------------------------------
Polydymite 34.0548s/sat Coesite -0.8796
Heazlewoodite 17.7079s/sat Maximum_Microcline -1.0119
Vaesite 13.6992s/sat K-Feldspar -1.0163
Pyrite 8.6421s/sat Cristobalite(beta) -1.1306
Millerite 7.5823s/sat SiO2(am) -1.5079
C 4.6363s/sat Dolomite-dis -1.7407
Dawsonite 0.9651s/sat Calcite -1.7929
Diaspore 0.2237s/sat Beidellite-Mg -1.8141
Troilite 0.1079s/sat Montmor-Mg -1.8177
Siderite 0.0000 sat Beidellite-K -1.8533
Magnesite 0.0000 sat Montmor-K -1.8568
Ni2SiO4 0.0000 sat Pyrophyllite -1.8789
Kaolinite 0.0000 sat Illite -1.9137
Quartz 0.0000 sat Beidellite-Na -1.9174
Pyrrhotite 0.0000 sat Montmor-Na -1.9275
Dolomite-ord 0.0000 sat Aragonite -1.9387
Dolomite -0.0001 Nahcolite -2.2031
Ice -0.0470 Beidellite-Ca -2.2220
Muscovite -0.0803 Montmor-Ca -2.3048
Tridymite -0.2064 Sanidine_high -2.3888
Boehmite -0.2245 Beidellite-H -2.4027
Gibbsite -0.2378 Monohydrocalcite -2.5788
Chalcedony -0.2960 S -2.9112
Cristobalite(alpha) -0.6106
(only minerals with log Q/K > -3 listed)
partial
Gases press. (bar) fugacity fug. coef. log fug.
-----------------------------------------------------------------------------------------
CH4(g) 100.2 100.0 0.9976 2.0000
CO2(g) 2.933 2.914 0.9932 0.4644
N2(g) 0.006553 0.006550 0.9995 -2.1837
H2O(g) 0.005489 0.005026 0.9156 -2.2988
H2S(g) 0.0008783 0.0008695 0.9900 -3.0608
H2(g) 4.386e-07 4.390e-07 1.001 -6.3575
NH3(g) 9.842e-08 9.725e-08 0.9882 -7.0121
CO(g) 4.531e-10 4.531e-10 1.000* -9.3438
HCl(g) 1.789e-16 1.789e-16 1.000* -15.7473
C2H4(g) 5.988e-17 5.988e-17 1.000* -16.2227
S2(g) 1.687e-22 1.687e-22 1.000* -21.7729
SO2(g) 7.561e-26 7.399e-26 0.9786 -25.1308
NO(g) 5.559e-58 5.559e-58 1.000* -57.2550
Cl2(g) 3.301e-62 3.301e-62 1.000* -61.4814
Na(g) 3.011e-64 3.011e-64 1.000* -63.5213
K(g) 6.177e-66 6.177e-66 1.000* -65.2092
O2(g) 2.710e-80 2.708e-80 0.9990 -79.5674
NO2(g) 2.451e-90 2.451e-90 1.000* -89.6106
Mg(g) 5.716e-106 5.716e-106 1.000* -105.2429
C(g) 3.541e-125 3.541e-125 1.000* -124.4508
Ca(g) 4.567e-133 4.567e-133 1.000* -132.3404
Al(g) 3.864e-151 3.864e-151 1.000* -150.4129
Si(g) 5.062e-164 5.062e-164 1.000* -163.2957
*no data, gas taken to be ideal
In fluid Sorbed
Original basis total moles moles mg/kg moles mg/kg
-------------------------------------------------------------------------------------------------
H2O 49.75 49.66 9.674e+05
Al+++ 0.03495 2.818e-09 8.222e-05
Ca++ 0.02375 3.673e-05 1.592
Cl- 0.01725 0.01725 661.3
Fe++ 0.3545 1.438e-05 0.8685
H+ -0.3511 0.3528 384.5
HCO3- 0.9992 0.4106 2.709e+04
HPO4-- 9.369e-12 9.369e-12 9.725e-07
K+ 0.001720 0.001720 72.72
Mg++ 0.4194 0.01154 303.2
Mn++ 1.637e-11 1.637e-11 9.725e-07
NH3(aq) 0.1426 0.1426 2626.
Na+ 0.02527 0.02527 628.2
Ni++ 0.01783 0.01264 802.1
O2(aq) -0.3955 -0.0006736 -23.31
SO4-- 0.1976 0.0001929 20.04
SiO2(aq) 0.4017 2.097e-05 1.363
In fluid Sorbed
Elemental composition total moles moles mg/kg moles mg/kg
-------------------------------------------------------------------------------------------------
Aluminum 0.03495 2.818e-09 8.222e-05
Calcium 0.02375 3.673e-05 1.592
Carbon 0.9992 0.4106 5333.
Chlorine 0.01725 0.01725 661.3
Hydrogen 100.6 100.5 1.095e+05
Iron 0.3545 1.438e-05 0.8685
Magnesium 0.4194 0.01154 303.2
Manganese 1.637e-11 1.637e-11 9.725e-07
Nickel 0.01783 0.01264 802.1
Nitrogen 0.1426 0.1426 2160.
Oxygen 53.55 50.89 8.805e+05
Phosphorus 9.369e-12 9.369e-12 3.138e-07
Potassium 0.001720 0.001720 72.72
Silicon 0.4017 2.097e-05 0.6370
Sodium 0.02527 0.02527 628.2
Sulfur 0.1976 0.0001929 6.689
Step # 1076 Xi = 1.0000
Temperature = 0.0 C Pressure = 1.013 bar
pH = 6.385 log fO2 = -79.542
Eh = -0.1902 volts pe = -3.5090
Ionic strength = 0.273476 molal
Activity of water = 0.999339
Solvent mass = 0.89823 kg
Solution mass = 0.92739 kg
Mineral mass = 0.11042 kg
Fluid density = 1.021 g/cm3
compressibility = 4.792e-05 /bar
expansivity = 7.928e-05 /C
viscosity = 0.018 poise
Chlorinity = 0.019202 molal
Dissolved solids = 31441 mg/kg sol'n
Elect. conductivity = 21311.31 uS/cm (or umho/cm)
Hardness = 1239.78 mg/kg sol'n as CaCO3
carbonate = 1239.78 mg/kg sol'n as CaCO3
non-carbonate = 0.00 mg/kg sol'n as CaCO3
Carbonate alkalinity= 11602.11 mg/kg sol'n as CaCO3
Water type = NH4-HCO3
Bulk volume = 942. cm3
Fluid volume = 908. cm3
Mineral volume = 34.1 cm3
Inert volume = 0.00 cm3
Porosity = 96.4 %
Permeability = 28.3 cm2
Mass reacted = 139 g
moles moles grams cm3 rxn rate
Reactants remaining reacted reacted reacted (molal/sec)
---------------------------------------------------------------------------------------------------------
Al2O3 -4.092e-16 0.01942 1.980 -- --
CH4(g) (fixed fug.) -0.08109 -1.301 -- --
CO2(aq) -1.297e-14 1.022 44.96 -- --
CaO 4.020e-16 0.02639 1.480 -- --
FeO -5.153e-15 0.3939 28.30 4.727 --
Formaldehyde(aq) 8.259e-16 0.05990 1.798 -- --
H2S(aq) 0.000 0.000 0.000 -- --
HCN(aq) 0.000 0.000 0.000 -- --
K2O 1.580e-17 0.0009555 0.09000 0.03858 --
Methanol(aq) -2.914e-18 0.1123 3.597 -- --
MgO -4.703e-15 0.4660 18.78 -- --
MnO 0.000 0.000 0.000 -- --
N2(g) 0.000 0.000 0.000 -- --
NH3(aq) 6.660e-17 0.1584 2.698 -- --
Na2O -1.491e-16 0.01404 0.8700 0.3509 --
NiO -2.519e-16 0.01982 1.480 -- --
P2O5 0.000 0.000 0.000 -- --
S 3.181e-15 0.2195 7.040 3.405 --
SO2(g) 0.000 0.000 0.000 -- --
SO4-- 0.000 0.000 0.000 -- --
SiO2 -6.713e-15 0.4464 26.82 -- --
Minerals in system moles log moles grams volume (cm3)
-------------------------------------------------------------------------------------------
Dolomite-ord 0.02636 -1.579 4.860 1.696
Kaolinite 0.01942 -1.712 5.013 1.933
Magnesite 0.4281 -0.368 36.10 12.00
Ni2SiO4 0.003092 -2.510 0.6476 0.1317
Pyrrhotite 0.2193 -0.659 19.28 3.992
Quartz 0.4044 -0.393 24.30 9.176
Siderite 0.1746 -0.758 20.22 5.128
_____________ _____________
(total) 110.4 34.05
Aqueous species molality mg/kg sol'n act. coef. log act.
------------------------------------------------------------------------------------------
CO2(aq) 0.2625 1.119e+04 1.0000 -0.5808
HCO3- 0.2327 1.375e+04 0.7187 -0.7766
NH4+ 0.1763 3080. 0.6745 -0.9248
Na+ 0.02431 541.4 0.7187 -1.7576
Cl- 0.01912 656.6 0.6906 -1.8793
Ni++ 0.01514 860.6 0.3155 -2.3209
NaHCO3(aq) 0.006905 561.8 1.0000 -2.1609
MgHCO3+ 0.006483 535.8 0.7187 -2.3317
Mg++ 0.006202 146.0 0.3738 -2.6349
K+ 0.002127 80.55 0.6906 -2.8330
H2S(aq) 0.0002128 7.023 1.0000 -3.6721
Acetate 0.0001091 6.241 0.7310 -4.0981
MgCl+ 3.801e-05 2.200 0.7187 -4.5635
CO3-- 3.623e-05 2.106 0.2661 -5.0158
NaCl(aq) 3.424e-05 1.938 1.0000 -4.4655
HS- 2.809e-05 0.8998 0.7052 -4.7031
NiCH3COO+ 2.483e-05 2.832 0.7187 -4.7485
NH3(aq) 2.460e-05 0.4058 1.0000 -4.6090
SiO2(aq) 2.334e-05 1.358 1.0000 -4.6319
Ca++ 2.116e-05 0.8215 0.3155 -5.1755
CaHCO3+ 1.934e-05 1.894 0.7187 -4.8570
MgCO3(aq) 1.712e-05 1.398 1.0000 -4.7665
NH4CH3COO(aq) 1.615e-05 1.205 1.0000 -4.7919
Fe++ 1.528e-05 0.8266 0.3155 -5.3169
Acetamide(aq) 1.141e-05 0.6530 1.0000 -4.9426
N2(aq) 8.729e-06 0.2368 1.0000 -5.0590
MgCH3COO+ 8.126e-06 0.6560 0.7187 -5.2336
NiCl+ 7.926e-06 0.7227 0.7187 -5.2444
Ethane(aq) 5.993e-06 0.1745 1.0000 -5.2224
Ni(NH3)2++ 3.509e-06 0.3152 0.2661 -6.0298
Acetic_acid(aq) 1.987e-06 0.1156 1.0000 -5.7018
NaCO3- 1.510e-06 0.1214 0.7187 -5.9644
NaCH3COO(aq) 1.262e-06 0.1003 1.0000 -5.8989
H+ 5.093e-07 0.0004971 0.8094 -6.3849
Propanoate 4.936e-07 0.03493 0.7187 -6.4501
KCl(aq) 3.784e-07 0.02733 1.0000 -6.4220
Formate 3.477e-07 0.01516 0.7052 -6.6105
Ni(For)+ 2.186e-07 0.02196 0.7187 -6.8038
Ni(Prop)+ 1.173e-07 0.01497 0.7187 -7.0741
CaCO3(aq) 8.525e-08 0.008264 1.0000 -7.0693
FeCl+ 6.238e-08 0.005516 0.7187 -7.3484
KCH3COO(aq) 5.974e-08 0.005678 1.0000 -7.2238
Mg(For)+ 3.719e-08 0.002497 0.7187 -7.5730
CaCl+ 2.605e-08 0.001906 0.7187 -7.7276
Ni(CH3COO)2(aq) 2.422e-08 0.004146 1.0000 -7.6159
FeCH3COO+ 1.435e-08 0.001597 0.7187 -7.9867
Propanoic_acid(aq) 1.177e-08 0.0008444 1.0000 -7.9293
Propane(aq) 1.163e-08 0.0004966 1.0000 -7.9345
(only species > 1e-8 molal listed)
Mineral saturation states log Q/K log Q/K
-----------------------------------------------------------------------------------------------
Polydymite 34.2709s/sat Coesite -0.8796
Heazlewoodite 17.7969s/sat Maximum_Microcline -0.9815
Vaesite 13.8136s/sat K-Feldspar -0.9859
Pyrite 8.7057s/sat Cristobalite(beta) -1.1306
Millerite 7.6331s/sat SiO2(am) -1.5079
C 4.6617s/sat Dolomite-dis -1.7407
Dawsonite 1.0395s/sat Calcite -1.7929
Diaspore 0.2237s/sat Beidellite-Mg -1.8224
Troilite 0.1079s/sat Montmor-Mg -1.8429
Siderite 0.0000 sat Beidellite-K -1.8433
Magnesite 0.0000 sat Montmor-K -1.8635
Ni2SiO4 0.0000 sat Pyrophyllite -1.8789
Kaolinite 0.0000 sat Illite -1.9082
Quartz 0.0000 sat Beidellite-Na -1.9096
Pyrrhotite 0.0000 sat Montmor-Na -1.9365
Dolomite-ord 0.0000 sat Aragonite -1.9387
Dolomite -0.0001 Nahcolite -2.1288
Ice -0.0470 Beidellite-Ca -2.2303
Muscovite -0.0499 Montmor-Ca -2.3300
Tridymite -0.2064 Sanidine_high -2.3584
Boehmite -0.2245 Beidellite-H -2.4027
Gibbsite -0.2378 Monohydrocalcite -2.5788
Chalcedony -0.2960 S -2.8477
Cristobalite(alpha) -0.6106
(only minerals with log Q/K > -3 listed)
partial
Gases press. (bar) fugacity fug. coef. log fug.
-----------------------------------------------------------------------------------------
CH4(g) 100.2 100.0 0.9976 2.0000
CO2(g) 3.298 3.275 0.9932 0.5153
N2(g) 0.008207 0.008203 0.9995 -2.0860
H2O(g) 0.005489 0.005026 0.9156 -2.2988
H2S(g) 0.0009873 0.0009774 0.9900 -3.0099
H2(g) 4.260e-07 4.263e-07 1.001 -6.3702
NH3(g) 1.054e-07 1.042e-07 0.9882 -6.9823
CO(g) 4.947e-10 4.947e-10 1.000* -9.3057
HCl(g) 1.820e-16 1.820e-16 1.000* -15.7399
C2H4(g) 6.349e-17 6.349e-17 1.000* -16.1973
S2(g) 2.260e-22 2.260e-22 1.000* -21.6458
SO2(g) 9.280e-26 9.081e-26 0.9786 -25.0419
NO(g) 6.405e-58 6.405e-58 1.000* -57.1935
Cl2(g) 3.518e-62 3.518e-62 1.000* -61.4537
Na(g) 3.132e-64 3.132e-64 1.000* -63.5041
K(g) 6.528e-66 6.528e-66 1.000* -65.1852
O2(g) 2.874e-80 2.871e-80 0.9990 -79.5420
NO2(g) 2.909e-90 2.909e-90 1.000* -89.5363
Mg(g) 4.938e-106 4.938e-106 1.000* -105.3064
C(g) 3.755e-125 3.755e-125 1.000* -124.4254
Ca(g) 3.945e-133 3.945e-133 1.000* -132.4039
Al(g) 3.698e-151 3.698e-151 1.000* -150.4320
Si(g) 4.774e-164 4.774e-164 1.000* -163.3211
*no data, gas taken to be ideal
In fluid Sorbed
Original basis total moles moles mg/kg moles mg/kg
-------------------------------------------------------------------------------------------------
H2O 49.73 49.62 9.640e+05
Al+++ 0.03884 3.029e-09 8.813e-05
Ca++ 0.02639 3.649e-05 1.577
Cl- 0.01725 0.01725 659.3
Fe++ 0.3939 1.380e-05 0.8308
H+ -0.3896 0.3947 429.0
HCO3- 1.113 0.4573 3.009e+04
HPO4-- 9.369e-12 9.369e-12 9.696e-07
K+ 0.001911 0.001911 80.56
Mg++ 0.4660 0.01145 300.1
Mn++ 1.637e-11 1.637e-11 9.696e-07
NH3(aq) 0.1584 0.1584 2909.
Na+ 0.02807 0.02807 695.9
Ni++ 0.01982 0.01363 862.7
O2(aq) -0.4394 -0.0007530 -25.98
SO4-- 0.2195 0.0002163 22.41
SiO2(aq) 0.4464 2.097e-05 1.359
In fluid Sorbed
Elemental composition total moles moles mg/kg moles mg/kg
-------------------------------------------------------------------------------------------------
Aluminum 0.03884 3.029e-09 8.813e-05
Calcium 0.02639 3.649e-05 1.577
Carbon 1.113 0.4573 5922.
Chlorine 0.01725 0.01725 659.3
Hydrogen 100.7 100.6 1.093e+05
Iron 0.3939 1.380e-05 0.8308
Magnesium 0.4660 0.01145 300.1
Manganese 1.637e-11 1.637e-11 9.696e-07
Nickel 0.01982 0.01363 862.7
Nitrogen 0.1584 0.1584 2392.
Oxygen 53.96 51.00 8.798e+05
Phosphorus 9.369e-12 9.369e-12 3.129e-07
Potassium 0.001911 0.001911 80.56
Silicon 0.4464 2.097e-05 0.6351
Sodium 0.02807 0.02807 695.9
Sulfur 0.2195 0.0002163 7.480