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 = 0.089842 kg
Solution mass = 0.089922 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 = 89.9 cm3
Fluid volume = 89.9 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) 0.1022 0.000 0.000 -- --
CaO 0.02639 0.000 0.000 -- --
FeO 0.3939 0.000 0.000 0.000 --
Formaldehyde(aq) 0.005990 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) 0.01123 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) 0.01584 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-10 1.546e-10 0.9900 -9.8108
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-52 1.028e-52 1.000* -51.9880
N2(g) 6.798e-56 6.795e-56 0.9995 -55.1678
SO2(g) 1.138e-57 1.113e-57 0.9786 -56.9534
Cl2(g) 4.140e-61 4.140e-61 1.000* -60.3830
Na(g) 2.797e-73 2.797e-73 1.000* -72.5533
K(g) 4.063e-74 4.063e-74 1.000* -73.3911
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-115 8.261e-115 1.000* -114.0830
NO2(g) 1.522e-133 1.522e-133 1.000* -132.8177
Ca(g) 1.356e-139 1.356e-139 1.000* -138.8678
C(g) 6.825e-142 6.825e-142 1.000* -141.1659
Al(g) 2.873e-153 2.873e-153 1.000* -152.5416
Si(g) 2.085e-153 2.085e-153 1.000* -152.6810
*no data, gas taken to be ideal
In fluid Sorbed
Original basis total moles moles mg/kg moles mg/kg
-------------------------------------------------------------------------------------------------
H2O 4.996 4.996 1.001e+06
Al+++ 3.706e-12 3.706e-12 1.112e-06
Ca++ 2.495e-12 2.495e-12 1.112e-06
Cl- 0.001725 0.001725 680.0
Fe++ 1.791e-12 1.791e-12 1.112e-06
H+ 0.001725 0.001725 19.33
HCO3- 4.591e-15 4.591e-15 3.115e-09
HPO4-- 9.369e-13 9.369e-13 1.000e-06
K+ 2.558e-12 2.558e-12 1.112e-06
Mg++ 4.114e-12 4.114e-12 1.112e-06
Mn++ 1.637e-12 1.637e-12 1.000e-06
NH3(aq) 5.280e-12 5.280e-12 1.000e-06
Na+ 4.350e-12 4.350e-12 1.112e-06
Ni++ 1.532e-12 1.532e-12 1.000e-06
O2(aq) -0.004399 -0.004399 -1565.
SO4-- 3.024e-12 3.024e-12 3.230e-06
SiO2(aq) 1.664e-12 1.664e-12 1.112e-06
In fluid Sorbed
Elemental composition total moles moles mg/kg moles mg/kg
-------------------------------------------------------------------------------------------------
Aluminum 3.706e-12 3.706e-12 1.112e-06
Calcium 2.495e-12 2.495e-12 1.112e-06
Carbon 4.591e-15 4.591e-15 6.132e-10
Chlorine 0.001725 0.001725 680.0
Hydrogen 9.993 9.993 1.120e+05
Iron 1.791e-12 1.791e-12 1.112e-06
Magnesium 4.114e-12 4.114e-12 1.112e-06
Manganese 1.637e-12 1.637e-12 1.000e-06
Nickel 1.532e-12 1.532e-12 1.000e-06
Nitrogen 5.280e-12 5.280e-12 8.225e-07
Oxygen 4.987 4.987 8.873e+05
Phosphorus 9.369e-13 9.369e-13 3.227e-07
Potassium 2.558e-12 2.558e-12 1.112e-06
Silicon 1.664e-12 1.664e-12 5.198e-07
Sodium 4.350e-12 4.350e-12 1.112e-06
Sulfur 3.024e-12 3.024e-12 1.078e-06
Step # 1 Xi = 0.0010
Temperature = 0.0 C Pressure = 1.013 bar
pH = 4.639 log fO2 = -96.215
Eh = -0.3215 volts pe = -5.9316
Ionic strength = 0.028449 molal
Activity of water = 0.999339
Solvent mass = 0.089862 kg
Solution mass = 0.089977 kg
Mineral mass = 3.5623e-05 kg
Fluid density = 1.001 g/cm3
compressibility = 4.825e-05 /bar
expansivity = 8.003e-05 /C
viscosity = 0.018 poise
Chlorinity = 0.019193 molal
Dissolved solids = 1279 mg/kg sol'n
Elect. conductivity = 2205.90 uS/cm (or umho/cm)
Hardness = 547.68 mg/kg sol'n as CaCO3
carbonate = 0.00 mg/kg sol'n as CaCO3
non-carbonate = 547.68 mg/kg sol'n as CaCO3
Carbonate alkalinity= 0.00 mg/kg sol'n as CaCO3
Water type = Mg-Cl
Bulk volume = 89.9 cm3
Fluid volume = 89.9 cm3
Mineral volume = 0.0124 cm3
Inert volume = 0.00 cm3
Porosity = 100. %
Permeability = 98.2 cm2
Mass reacted = 0.0902 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.) -0.0001194 -0.001915 -- --
CO2(aq) 0.1021 0.0001022 0.004496 -- --
CaO 0.02637 2.639e-05 0.001480 -- --
FeO 0.3935 0.0003939 0.02830 0.004727 --
Formaldehyde(aq) 0.005984 5.990e-06 0.0001798 -- --
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) 0.01121 1.123e-05 0.0003597 -- --
MgO 0.4655 0.0004660 0.01878 -- --
MnO 0.000 0.000 0.000 -- --
N2(g) 0.000 0.000 0.000 -- --
NH3(aq) 0.01582 1.584e-05 0.0002698 -- --
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)
-------------------------------------------------------------------------------------------
Kaolinite 1.692e-05 -4.772 0.004367 0.001684
Pyrrhotite 7.502e-05 -4.125 0.006595 0.001365
Quartz 0.0004104 -3.387 0.02466 0.009312
_____________ _____________
(total) 0.03562 0.01236
Aqueous species molality mg/kg sol'n act. coef. log act.
------------------------------------------------------------------------------------------
H2(aq) 0.09066 182.5 1.0000 -1.0426
Cl- 0.01911 676.8 0.8502 -1.7891
Mg++ 0.005134 124.6 0.5882 -2.5200
Fe++ 0.003522 196.4 0.5628 -2.7028
H2S(aq) 0.001605 54.64 1.0000 -2.7945
Na+ 0.0003118 7.158 0.8565 -3.5734
Ca++ 0.0002930 11.73 0.5628 -3.7827
Ni++ 0.0002203 12.91 0.5628 -3.9066
NH4+ 0.0001763 3.176 0.8469 -3.8260
Al+++ 5.314e-05 1.432 0.3156 -4.7754
MgCl+ 5.113e-05 3.052 0.8565 -4.3586
FeCl+ 2.649e-05 2.415 0.8565 -4.6442
H+ 2.604e-05 0.02621 0.8817 -4.6391
SiO2(aq) 2.334e-05 1.401 1.0000 -4.6319
K+ 2.126e-05 0.8301 0.8502 -4.7429
HS- 3.144e-06 0.1039 0.8535 -5.5713
AlOH++ 2.530e-06 0.1111 0.5418 -5.8631
CaCl+ 6.645e-07 0.05013 0.8565 -6.2447
NaCl(aq) 6.440e-07 0.03759 1.0000 -6.1911
NiCl+ 2.125e-07 0.01998 0.8565 -6.7399
HCl(aq) 8.146e-08 0.002966 1.0000 -7.0891
Al(OH)2+ 2.691e-08 0.001639 0.8565 -7.6373
CaCl2(aq) 1.538e-08 0.001705 1.0000 -7.8130
(only species > 1e-8 molal listed)
Mineral saturation states log Q/K log Q/K
-----------------------------------------------------------------------------------------------
Polydymite 14.2127s/sat Boehmite -0.2245
Heazlewoodite 12.6568s/sat Gibbsite -0.2378
Millerite 3.4334s/sat Chalcedony -0.2960
Vaesite 2.1548s/sat Cristobalite(alpha) -0.6106
Pyrite 1.2466s/sat Coesite -0.8796
Diaspore 0.2237s/sat Cristobalite(beta) -1.1306
Troilite 0.1079s/sat Ni -1.5043
Kaolinite 0.0000 sat SiO2(am) -1.5079
Quartz 0.0000 sat Pyrophyllite -1.8789
Pyrrhotite 0.0000 sat Beidellite-Mg -2.3796
Ice -0.0470 Beidellite-H -2.4027
Tridymite -0.2064 Beidellite-Ca -2.5767
(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) 92.50 92.58 1.001 1.9665
H2S(g) 0.007449 0.007374 0.9900 -2.1323
H2O(g) 0.005489 0.005026 0.9156 -2.2988
NH3(g) 2.376e-12 2.348e-12 0.9882 -11.6294
HCl(g) 1.248e-14 1.248e-14 1.000* -13.9039
CO2(g) 1.484e-33 1.473e-33 0.9932 -32.8317
C2H4(g) 1.347e-33 1.347e-33 1.000* -32.8708
CO(g) 4.832e-35 4.832e-35 1.000* -34.3159
N2(g) 4.073e-37 4.071e-37 0.9995 -36.3903
S2(g) 2.729e-37 2.729e-37 1.000* -36.5640
SO2(g) 6.839e-50 6.692e-50 0.9786 -49.1744
Na(g) 1.267e-63 1.267e-63 1.000* -62.8974
K(g) 2.125e-65 2.125e-65 1.000* -64.6726
Cl2(g) 7.613e-67 7.613e-67 1.000* -66.1184
NO(g) 2.078e-83 2.078e-83 1.000* -82.6823
O2(g) 6.095e-97 6.089e-97 0.9990 -96.2155
Mg(g) 4.502e-101 4.502e-101 1.000* -100.3465
NO2(g) 4.346e-124 4.346e-124 1.000* -123.3619
Ca(g) 6.821e-127 6.821e-127 1.000* -126.1661
Al(g) 1.183e-138 1.183e-138 1.000* -137.9269
C(g) 7.964e-142 7.964e-142 1.000* -141.0989
Si(g) 2.251e-147 2.251e-147 1.000* -146.6476
*no data, gas taken to be ideal
In fluid Sorbed
Original basis total moles moles mg/kg moles mg/kg
-------------------------------------------------------------------------------------------------
H2O 4.996 4.996 1.000e+06
Al+++ 3.884e-05 5.005e-06 1.501
Ca++ 2.639e-05 2.639e-05 11.76
Cl- 0.001725 0.001725 679.6
Fe++ 0.0003939 0.0003189 197.9
H+ 0.0002052 0.0003067 3.436
HCO3- 4.960e-15 4.960e-15 3.364e-09
HPO4-- 9.369e-13 9.369e-13 9.994e-07
K+ 1.911e-06 1.911e-06 0.8304
Mg++ 0.0004660 0.0004660 125.9
Mn++ 1.637e-12 1.637e-12 9.994e-07
NH3(aq) 1.584e-05 1.584e-05 2.998
Na+ 2.807e-05 2.807e-05 7.173
Ni++ 1.982e-05 1.982e-05 12.93
O2(aq) -0.004512 -0.004362 -1551.
SO4-- 0.0002195 0.0001445 154.3
SiO2(aq) 0.0004464 2.097e-06 1.401
In fluid Sorbed
Elemental composition total moles moles mg/kg moles mg/kg
-------------------------------------------------------------------------------------------------
Aluminum 3.884e-05 5.005e-06 1.501
Calcium 2.639e-05 2.639e-05 11.76
Carbon 4.960e-15 4.960e-15 6.622e-10
Chlorine 0.001725 0.001725 679.6
Hydrogen 9.993 9.993 1.119e+05
Iron 0.0003939 0.0003189 197.9
Magnesium 0.0004660 0.0004660 125.9
Manganese 1.637e-12 1.637e-12 9.994e-07
Nickel 1.982e-05 1.982e-05 12.93
Nitrogen 1.584e-05 1.584e-05 2.466
Oxygen 4.989 4.988 8.870e+05
Phosphorus 9.369e-13 9.369e-13 3.225e-07
Potassium 1.911e-06 1.911e-06 0.8304
Silicon 0.0004464 2.097e-06 0.6547
Sodium 2.807e-05 2.807e-05 7.173
Sulfur 0.0002195 0.0001445 51.51
Step # 2 Xi = 0.0013
Temperature = 0.0 C Pressure = 1.013 bar
pH = 6.340 log fO2 = -96.195
Eh = -0.4134 volts pe = -7.6276
Ionic strength = 0.028303 molal
Activity of water = 0.999339
Solvent mass = 0.089866 kg
Solution mass = 0.089973 kg
Mineral mass = 6.2305e-05 kg
Fluid density = 1.001 g/cm3
compressibility = 4.825e-05 /bar
expansivity = 8.004e-05 /C
viscosity = 0.018 poise
Chlorinity = 0.019192 molal
Dissolved solids = 1181 mg/kg sol'n
Elect. conductivity = 2235.08 uS/cm (or umho/cm)
Hardness = 684.63 mg/kg sol'n as CaCO3
carbonate = 0.00 mg/kg sol'n as CaCO3
non-carbonate = 684.63 mg/kg sol'n as CaCO3
Carbonate alkalinity= 0.00 mg/kg sol'n as CaCO3
Water type = Mg-Cl
Bulk volume = 89.9 cm3
Fluid volume = 89.9 cm3
Mineral volume = 0.0191 cm3
Inert volume = 0.00 cm3
Porosity = 100. %
Permeability = 98.0 cm2
Mass reacted = 0.113 g
moles moles grams cm3 rxn rate
Reactants remaining reacted reacted reacted (molal/sec)
---------------------------------------------------------------------------------------------------------
Al2O3 0.01939 2.427e-05 0.002475 -- --
CH4(g) (fixed fug.) -0.0001492 -0.002394 -- --
CO2(aq) 0.1020 0.0001277 0.005620 -- --
CaO 0.02636 3.299e-05 0.001850 -- --
FeO 0.3934 0.0004924 0.03538 0.005908 --
Formaldehyde(aq) 0.005982 7.487e-06 0.0002248 -- --
H2S(aq) 0.000 0.000 0.000 -- --
HCN(aq) 0.000 0.000 0.000 -- --
K2O 0.0009543 1.194e-06 0.0001125 4.823e-05 --
Methanol(aq) 0.01121 1.403e-05 0.0004496 -- --
MgO 0.4654 0.0005824 0.02348 -- --
MnO 0.000 0.000 0.000 -- --
N2(g) 0.000 0.000 0.000 -- --
NH3(aq) 0.01582 1.980e-05 0.0003372 -- --
Na2O 0.01402 1.755e-05 0.001088 0.0004387 --
NiO 0.01979 2.477e-05 0.001850 -- --
P2O5 0.000 0.000 0.000 -- --
S 0.2193 0.0002744 0.008800 0.004257 --
SO2(g) 0.000 0.000 0.000 -- --
SO4-- 0.000 0.000 0.000 -- --
SiO2 0.4458 0.0005580 0.03353 -- --
Minerals in system moles log moles grams volume (cm3)
-------------------------------------------------------------------------------------------
Kaolinite 2.427e-05 -4.615 0.006267 0.002416
Ni 2.451e-05 -4.611 0.001439 0.0001615
Pyrrhotite 0.0002743 -3.562 0.02412 0.004993
Quartz 0.0005073 -3.295 0.03048 0.01151
_____________ _____________
(total) 0.06231 0.01908
Aqueous species molality mg/kg sol'n act. coef. log act.
------------------------------------------------------------------------------------------
H2(aq) 0.08857 178.3 1.0000 -1.0527
Cl- 0.01911 676.7 0.8505 -1.7891
Mg++ 0.006417 155.8 0.5887 -2.4228
Fe++ 0.002408 134.3 0.5634 -2.8675
Na+ 0.0003897 8.948 0.8568 -3.4764
Ca++ 0.0003663 14.66 0.5634 -3.6854
NH4+ 0.0002203 3.969 0.8472 -3.7290
MgCl+ 6.395e-05 3.817 0.8568 -4.2612
K+ 2.657e-05 1.038 0.8505 -4.6459
SiO2(aq) 2.334e-05 1.401 1.0000 -4.6319
FeCl+ 1.812e-05 1.653 0.8568 -4.8089
Ni++ 2.850e-06 0.1671 0.5634 -5.7943
H2S(aq) 9.291e-07 0.03163 1.0000 -6.0320
CaCl+ 8.313e-07 0.06271 0.8568 -6.1474
NaCl(aq) 8.052e-07 0.04700 1.0000 -6.0941
H+ 5.182e-07 0.0005217 0.8818 -6.3401
HS- 9.140e-08 0.003019 0.8537 -7.1077
NH3(aq) 3.483e-08 0.0005925 1.0000 -7.4580
CaCl2(aq) 1.925e-08 0.002134 1.0000 -7.7155
(only species > 1e-8 molal listed)
Mineral saturation states log Q/K log Q/K
-----------------------------------------------------------------------------------------------
Heazlewoodite 10.7150s/sat SiO2(am) -1.5079
Polydymite 5.8162s/sat Montmor-Mg -1.7822
Millerite 1.7104s/sat Beidellite-Mg -1.8022
Diaspore 0.2237s/sat Pyrophyllite -1.8789
Troilite 0.1079s/sat Muscovite -1.9075
Kaolinite 0.0000 sat Pyrite -1.9808
Quartz 0.0000 sat Beidellite-Ca -1.9993
Ni 0.0000 sat Montmor-Ca -2.0584
Pyrrhotite 0.0000 sat Beidellite-H -2.4027
Ice -0.0470 Montmor-K -2.4361
Tridymite -0.2064 Beidellite-K -2.4563
Boehmite -0.2245 Montmor-Na -2.4780
Gibbsite -0.2378 Beidellite-Na -2.4916
Chalcedony -0.2960 Vaesite -2.7956
Cristobalite(alpha) -0.6106 Maximum_Microcline -2.8391
Coesite -0.8796 K-Feldspar -2.8435
Cristobalite(beta) -1.1306 Illite -2.9921
(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) 90.37 90.44 1.001 1.9564
H2O(g) 0.005489 0.005026 0.9156 -2.2988
H2S(g) 4.311e-06 4.268e-06 0.9900 -5.3698
NH3(g) 1.492e-10 1.475e-10 0.9882 -9.8313
HCl(g) 2.484e-16 2.484e-16 1.000* -15.6049
N2(g) 1.723e-33 1.723e-33 0.9995 -32.7638
CO2(g) 1.629e-33 1.618e-33 0.9932 -32.7911
C2H4(g) 1.411e-33 1.411e-33 1.000* -32.8505
CO(g) 5.182e-35 5.182e-35 1.000* -34.2855
S2(g) 9.578e-44 9.578e-44 1.000* -43.0187
SO2(g) 4.245e-53 4.154e-53 0.9786 -52.3815
Na(g) 7.864e-62 7.864e-62 1.000* -61.1043
K(g) 1.320e-63 1.320e-63 1.000* -62.8795
Cl2(g) 3.088e-70 3.088e-70 1.000* -69.5104
NO(g) 1.384e-81 1.384e-81 1.000* -80.8590
O2(g) 6.386e-97 6.380e-97 0.9990 -96.1952
Mg(g) 1.389e-97 1.389e-97 1.000* -96.8572
NO2(g) 2.962e-122 2.962e-122 1.000* -121.5284
Ca(g) 2.105e-123 2.105e-123 1.000* -122.6768
Al(g) 1.143e-138 1.143e-138 1.000* -137.9421
C(g) 8.344e-142 8.344e-142 1.000* -141.0786
Si(g) 2.148e-147 2.148e-147 1.000* -146.6679
*no data, gas taken to be ideal
In fluid Sorbed
Original basis total moles moles mg/kg moles mg/kg
-------------------------------------------------------------------------------------------------
H2O 4.996 4.996 1.000e+06
Al+++ 4.855e-05 2.047e-10 6.139e-05
Ca++ 3.299e-05 3.299e-05 14.70
Cl- 0.001725 0.001725 679.6
Fe++ 0.0004924 0.0002180 135.3
H+ -0.0001747 2.002e-05 0.2243
HCO3- 5.078e-15 5.078e-15 3.444e-09
HPO4-- 9.369e-13 9.369e-13 9.994e-07
K+ 2.389e-06 2.389e-06 1.038
Mg++ 0.0005824 0.0005824 157.3
Mn++ 1.637e-12 1.637e-12 9.994e-07
NH3(aq) 1.980e-05 1.980e-05 3.748
Na+ 3.509e-05 3.509e-05 8.967
Ni++ 2.477e-05 2.564e-07 0.1672
O2(aq) -0.004541 -0.003980 -1415.
SO4-- 0.0002744 9.170e-08 0.09791
SiO2(aq) 0.0005580 2.098e-06 1.401
In fluid Sorbed
Elemental composition total moles moles mg/kg moles mg/kg
-------------------------------------------------------------------------------------------------
Aluminum 4.855e-05 2.047e-10 6.139e-05
Calcium 3.299e-05 3.299e-05 14.70
Carbon 5.078e-15 5.078e-15 6.778e-10
Chlorine 0.001725 0.001725 679.6
Hydrogen 9.993 9.993 1.119e+05
Iron 0.0004924 0.0002180 135.3
Magnesium 0.0005824 0.0005824 157.3
Manganese 1.637e-12 1.637e-12 9.994e-07
Nickel 2.477e-05 2.564e-07 0.1672
Nitrogen 1.980e-05 1.980e-05 3.082
Oxygen 4.990 4.988 8.871e+05
Phosphorus 9.369e-13 9.369e-13 3.225e-07
Potassium 2.389e-06 2.389e-06 1.038
Silicon 0.0005580 2.098e-06 0.6548
Sodium 3.509e-05 3.509e-05 8.967
Sulfur 0.0002744 9.170e-08 0.03268
Step # 3 Xi = 0.0014
Temperature = 0.0 C Pressure = 1.013 bar
pH = 7.190 log fO2 = -96.181
Eh = -0.4592 volts pe = -8.4736
Ionic strength = 0.028252 molal
Activity of water = 0.999339
Solvent mass = 0.089867 kg
Solution mass = 0.089970 kg
Mineral mass = 8.1734e-05 kg
Fluid density = 1.001 g/cm3
compressibility = 4.825e-05 /bar
expansivity = 8.005e-05 /C
viscosity = 0.018 poise
Chlorinity = 0.019192 molal
Dissolved solids = 1146 mg/kg sol'n
Elect. conductivity = 2254.15 uS/cm (or umho/cm)
Hardness = 787.35 mg/kg sol'n as CaCO3
carbonate = 0.00 mg/kg sol'n as CaCO3
non-carbonate = 787.35 mg/kg sol'n as CaCO3
Carbonate alkalinity= 0.00 mg/kg sol'n as CaCO3
Water type = Mg-Cl
Bulk volume = 89.9 cm3
Fluid volume = 89.9 cm3
Mineral volume = 0.0244 cm3
Inert volume = 0.00 cm3
Porosity = 100. %
Permeability = 97.8 cm2
Mass reacted = 0.13 g
moles moles grams cm3 rxn rate
Reactants remaining reacted reacted reacted (molal/sec)
---------------------------------------------------------------------------------------------------------
Al2O3 0.01939 2.792e-05 0.002846 -- --
CH4(g) (fixed fug.) -0.0001716 -0.002753 -- --
CO2(aq) 0.1020 0.0001469 0.006463 -- --
CaO 0.02635 3.794e-05 0.002127 -- --
FeO 0.3933 0.0005662 0.04068 0.006795 --
Formaldehyde(aq) 0.005981 8.610e-06 0.0002585 -- --
H2S(aq) 0.000 0.000 0.000 -- --
HCN(aq) 0.000 0.000 0.000 -- --
K2O 0.0009541 1.373e-06 0.0001294 5.546e-05 --
Methanol(aq) 0.01121 1.614e-05 0.0005171 -- --
MgO 0.4653 0.0006698 0.02700 -- --
MnO 0.000 0.000 0.000 -- --
N2(g) 0.000 0.000 0.000 -- --
NH3(aq) 0.01582 2.277e-05 0.0003878 -- --
Na2O 0.01402 2.018e-05 0.001251 0.0005045 --
NiO 0.01979 2.848e-05 0.002128 -- --
P2O5 0.000 0.000 0.000 -- --
S 0.2192 0.0003156 0.01012 0.004895 --
SO2(g) 0.000 0.000 0.000 -- --
SO4-- 0.000 0.000 0.000 -- --
SiO2 0.4457 0.0006417 0.03855 -- --
Minerals in system moles log moles grams volume (cm3)
-------------------------------------------------------------------------------------------
Kaolinite 2.791e-05 -4.554 0.007207 0.002778
Minnesotaite 4.298e-05 -4.367 0.02037 0.006355
Ni 2.848e-05 -4.545 0.001671 0.0001876
Pyrrhotite 0.0003156 -3.501 0.02774 0.005744
Quartz 0.0004118 -3.385 0.02474 0.009343
_____________ _____________
(total) 0.08173 0.02441
Aqueous species molality mg/kg sol'n act. coef. log act.
------------------------------------------------------------------------------------------
H2(aq) 0.08716 175.5 1.0000 -1.0597
Cl- 0.01911 676.6 0.8506 -1.7891
Mg++ 0.007380 179.2 0.5889 -2.3619
Fe++ 0.001344 74.98 0.5637 -3.1206
Na+ 0.0004481 10.29 0.8569 -3.4156
Ca++ 0.0004212 16.86 0.5637 -3.6245
NH4+ 0.0002531 4.560 0.8473 -3.6687
MgCl+ 7.356e-05 4.391 0.8569 -4.2004
K+ 3.056e-05 1.193 0.8506 -4.5851
SiO2(aq) 2.334e-05 1.401 1.0000 -4.6319
FeCl+ 1.012e-05 0.9228 0.8569 -5.0619
CaCl+ 9.563e-07 0.07214 0.8569 -6.0865
NaCl(aq) 9.261e-07 0.05406 1.0000 -6.0333
NH3(aq) 2.830e-07 0.004814 1.0000 -6.5482
H+ 7.328e-08 7.378e-05 0.8819 -7.1896
Ni++ 5.790e-08 0.003395 0.5637 -7.4863
H2S(aq) 3.328e-08 0.001133 1.0000 -7.4778
HS- 2.315e-08 0.0007647 0.8538 -7.7041
CaCl2(aq) 2.215e-08 0.002455 1.0000 -7.6547
OH- 2.080e-08 0.0003534 0.8538 -7.7505
HSiO3- 2.001e-08 0.001541 0.8569 -7.7657
(only species > 1e-8 molal listed)
Mineral saturation states log Q/K log Q/K
-----------------------------------------------------------------------------------------------
Heazlewoodite 7.8373s/sat Muscovite -0.9973
Daphnite-14A 0.4320s/sat Cristobalite(beta) -1.1306
Millerite 0.2715s/sat Montmor-Ca -1.1874
Diaspore 0.2237s/sat SiO2(am) -1.5079
Troilite 0.1079s/sat Beidellite-Mg -1.5119
Polydymite 0.0607s/sat Montmor-K -1.5550
Kaolinite 0.0000 sat Montmor-Na -1.5969
Quartz 0.0000 sat Ferrosilite -1.6385
Minnesotaite 0.0000 sat Annite -1.6773
Ni 0.0000 sat Beidellite-Ca -1.7089
Pyrrhotite 0.0000 sat Stilbite -1.8606
Ice -0.0470 Pyrophyllite -1.8789
Tridymite -0.2064 Maximum_Microcline -1.9289
Boehmite -0.2245 K-Feldspar -1.9333
Gibbsite -0.2378 Illite -2.0061
Chalcedony -0.2960 Beidellite-K -2.1559
Greenalite -0.6078 Beidellite-Na -2.1912
Cristobalite(alpha) -0.6106 Mesolite -2.3144
Coesite -0.8796 Chamosite-7A -2.3864
Montmor-Mg -0.9112 Beidellite-H -2.4027
(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) 88.93 89.01 1.001 1.9494
H2O(g) 0.005489 0.005026 0.9156 -2.2988
H2S(g) 1.545e-07 1.529e-07 0.9900 -6.8156
NH3(g) 1.212e-09 1.198e-09 0.9882 -8.9215
HCl(g) 3.513e-17 3.513e-17 1.000* -16.4543
N2(g) 1.193e-31 1.193e-31 0.9995 -30.9234
CO2(g) 1.736e-33 1.724e-33 0.9932 -32.7634
C2H4(g) 1.457e-33 1.457e-33 1.000* -32.8367
CO(g) 5.437e-35 5.437e-35 1.000* -34.2647
S2(g) 1.269e-46 1.269e-46 1.000* -45.8965
SO2(g) 1.595e-54 1.561e-54 0.9786 -53.8065
Na(g) 6.344e-61 6.344e-61 1.000* -60.1976
K(g) 1.065e-62 1.065e-62 1.000* -61.9728
Cl2(g) 6.276e-72 6.276e-72 1.000* -71.2023
NO(g) 1.170e-80 1.170e-80 1.000* -79.9318
Mg(g) 7.862e-96 7.862e-96 1.000* -95.1044
O2(g) 6.593e-97 6.587e-97 0.9990 -96.1813
NO2(g) 2.545e-121 2.545e-121 1.000* -120.5943
Ca(g) 1.191e-121 1.191e-121 1.000* -120.9239
Al(g) 1.116e-138 1.116e-138 1.000* -137.9525
C(g) 8.615e-142 8.615e-142 1.000* -141.0648
Si(g) 2.081e-147 2.081e-147 1.000* -146.6818
*no data, gas taken to be ideal
In fluid Sorbed
Original basis total moles moles mg/kg moles mg/kg
-------------------------------------------------------------------------------------------------
H2O 4.997 4.996 1.000e+06
Al+++ 5.583e-05 6.869e-11 2.060e-05
Ca++ 3.794e-05 3.794e-05 16.90
Cl- 0.001725 0.001725 679.6
Fe++ 0.0005662 0.0001217 75.54
H+ -0.0004596 2.276e-05 0.2549
HCO3- 5.159e-15 5.159e-15 3.499e-09
HPO4-- 9.369e-13 9.369e-13 9.995e-07
K+ 2.747e-06 2.747e-06 1.194
Mg++ 0.0006698 0.0006698 180.9
Mn++ 1.637e-12 1.637e-12 9.995e-07
NH3(aq) 2.277e-05 2.277e-05 4.310
Na+ 4.036e-05 4.036e-05 10.31
Ni++ 2.848e-05 5.209e-09 0.003398
O2(aq) -0.004562 -0.003917 -1393.
SO4-- 0.0003156 5.071e-09 0.005415
SiO2(aq) 0.0006417 2.099e-06 1.402
In fluid Sorbed
Elemental composition total moles moles mg/kg moles mg/kg
-------------------------------------------------------------------------------------------------
Aluminum 5.583e-05 6.869e-11 2.060e-05
Calcium 3.794e-05 3.794e-05 16.90
Carbon 5.159e-15 5.159e-15 6.888e-10
Chlorine 0.001725 0.001725 679.6
Hydrogen 9.993 9.993 1.119e+05
Iron 0.0005662 0.0001217 75.54
Magnesium 0.0006698 0.0006698 180.9
Manganese 1.637e-12 1.637e-12 9.995e-07
Nickel 2.848e-05 5.209e-09 0.003398
Nitrogen 2.277e-05 2.277e-05 3.545
Oxygen 4.990 4.988 8.871e+05
Phosphorus 9.369e-13 9.369e-13 3.225e-07
Potassium 2.747e-06 2.747e-06 1.194
Silicon 0.0006417 2.099e-06 0.6553
Sodium 4.036e-05 4.036e-05 10.31
Sulfur 0.0003156 5.071e-09 0.001807
Step # 5 Xi = 0.0019
Temperature = 0.0 C Pressure = 1.013 bar
pH = 7.982 log fO2 = -96.146
Eh = -0.5017 volts pe = -9.2569
Ionic strength = 0.028132 molal
Activity of water = 0.999339
Solvent mass = 0.089869 kg
Solution mass = 0.089968 kg
Mineral mass = 0.00012627 kg
Fluid density = 1.001 g/cm3
compressibility = 4.825e-05 /bar
expansivity = 8.005e-05 /C
viscosity = 0.018 poise
Chlorinity = 0.019192 molal
Dissolved solids = 1102 mg/kg sol'n
Elect. conductivity = 2278.85 uS/cm (or umho/cm)
Hardness = 907.49 mg/kg sol'n as CaCO3
carbonate = 0.00 mg/kg sol'n as CaCO3
non-carbonate = 907.49 mg/kg sol'n as CaCO3
Carbonate alkalinity= 0.00 mg/kg sol'n as CaCO3
Water type = Mg-Cl
Bulk volume = 89.9 cm3
Fluid volume = 89.9 cm3
Mineral volume = 0.0371 cm3
Inert volume = 0.00 cm3
Porosity = 100. %
Permeability = 97.3 cm2
Mass reacted = 0.172 g
moles moles grams cm3 rxn rate
Reactants remaining reacted reacted reacted (molal/sec)
---------------------------------------------------------------------------------------------------------
Al2O3 0.01938 3.702e-05 0.003774 -- --
CH4(g) (fixed fug.) -0.0002276 -0.003651 -- --
CO2(aq) 0.1020 0.0001947 0.008571 -- --
CaO 0.02634 5.031e-05 0.002821 -- --
FeO 0.3931 0.0007509 0.05395 0.009010 --
Formaldehyde(aq) 0.005978 1.142e-05 0.0003428 -- --
H2S(aq) 0.000 0.000 0.000 -- --
HCN(aq) 0.000 0.000 0.000 -- --
K2O 0.0009536 1.821e-06 0.0001716 7.355e-05 --
Methanol(aq) 0.01120 2.140e-05 0.0006857 -- --
MgO 0.4651 0.0008882 0.03580 -- --
MnO 0.000 0.000 0.000 -- --
N2(g) 0.000 0.000 0.000 -- --
NH3(aq) 0.01581 3.020e-05 0.0005142 -- --
Na2O 0.01401 2.676e-05 0.001658 0.0006690 --
NiO 0.01978 3.777e-05 0.002821 -- --
P2O5 0.000 0.000 0.000 -- --
S 0.2191 0.0004185 0.01342 0.006492 --
SO2(g) 0.000 0.000 0.000 -- --
SO4-- 0.000 0.000 0.000 -- --
SiO2 0.4455 0.0008509 0.05113 -- --
Minerals in system moles log moles grams volume (cm3)
-------------------------------------------------------------------------------------------
Kaolinite 2.958e-05 -4.529 0.007636 0.002944
Minnesotaite 0.0001097 -3.960 0.05200 0.01623
Ni 3.777e-05 -4.423 0.002217 0.0002488
Pyrrhotite 0.0004185 -3.378 0.03679 0.007617
Quartz 0.0002027 -3.693 0.01218 0.004598
Saponite-Mg 3.848e-05 -4.415 0.01473 0.005143
Stilbite 1.000e-06 -6.000 0.0007147 0.0003335
_____________ _____________
(total) 0.1263 0.03711
Aqueous species molality mg/kg sol'n act. coef. log act.
------------------------------------------------------------------------------------------
H2(aq) 0.08366 168.5 1.0000 -1.0775
Cl- 0.01910 676.6 0.8509 -1.7890
Mg++ 0.008444 205.0 0.5894 -2.3031
Na+ 0.0005927 13.61 0.8571 -3.2941
Ca++ 0.0005472 21.91 0.5642 -3.5104
NH4+ 0.0003337 6.012 0.8475 -3.5485
MgCl+ 8.423e-05 5.028 0.8571 -4.1415
K+ 4.046e-05 1.580 0.8509 -4.4632
Fe++ 3.496e-05 1.950 0.5642 -4.7051
SiO2(aq) 2.334e-05 1.401 1.0000 -4.6319
NH3(aq) 2.313e-06 0.03935 1.0000 -5.6358
CaCl+ 1.243e-06 0.09381 0.8571 -5.9723
NaCl(aq) 1.226e-06 0.07155 1.0000 -5.9117
FeCl+ 2.634e-07 0.02402 0.8571 -6.6464
HS- 1.434e-07 0.004739 0.8541 -6.9119
OH- 1.289e-07 0.002190 0.8541 -6.9583
HSiO3- 1.240e-07 0.009550 0.8571 -6.9735
H2S(aq) 3.328e-08 0.001133 1.0000 -7.4778
CaCl2(aq) 2.881e-08 0.003194 1.0000 -7.5404
H+ 1.182e-08 1.190e-05 0.8821 -7.9818
KCl(aq) 1.092e-08 0.0008131 1.0000 -7.9618
(only species > 1e-8 molal listed)
Mineral saturation states log Q/K log Q/K
-----------------------------------------------------------------------------------------------
Heazlewoodite 7.8729s/sat Saponite-Na -0.6519
Daphnite-14A 0.4320s/sat Talc -0.6574
Millerite 0.2893s/sat Montmor-K -0.7110
Diaspore 0.2237s/sat Montmor-Na -0.7530
Polydymite 0.1319s/sat Annite -0.7631
Troilite 0.1079s/sat Coesite -0.8796
Kaolinite 0.0000 sat Maximum_Microcline -1.0147
Quartz 0.0000 sat K-Feldspar -1.0191
Minnesotaite 0.0000 sat Illite -1.0467
Saponite-Mg 0.0000 sat Cristobalite(beta) -1.1306
Pyrrhotite 0.0000 sat Saponite-H -1.1654
Ni 0.0000 sat Beidellite-Mg -1.2407
Stilbite 0.0000 sat Beidellite-Ca -1.4286
Ice -0.0470 SiO2(am) -1.5079
Muscovite -0.0831 Ferrosilite -1.6385
Montmor-Mg -0.0977 Beidellite-K -1.8542
Saponite-Ca -0.1911 Pyrophyllite -1.8789
Tridymite -0.2064 Beidellite-Na -1.8897
Boehmite -0.2245 Ripidolite-14A -1.9354
Gibbsite -0.2378 Scolecite -2.0008
Chalcedony -0.2960 Smectite-low-Fe-Mg -2.2314
Montmor-Ca -0.3648 Phlogopite -2.3490
Celadonite -0.4456 Chamosite-7A -2.3864
Mesolite -0.5807 Sanidine_high -2.3916
Greenalite -0.6078 Beidellite-H -2.4027
Cristobalite(alpha) -0.6106 Chrysotile -2.7106
Saponite-K -0.6167 Smectite-high-Fe-Mg -2.8893
(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) 85.36 85.43 1.001 1.9316
H2O(g) 0.005489 0.005026 0.9156 -2.2988
H2S(g) 1.545e-07 1.529e-07 0.9900 -6.8156
NH3(g) 9.910e-09 9.793e-09 0.9882 -8.0091
HCl(g) 5.669e-18 5.669e-18 1.000* -17.2465
N2(g) 9.018e-30 9.013e-30 0.9995 -29.0451
CO2(g) 2.046e-33 2.032e-33 0.9932 -32.6921
C2H4(g) 1.581e-33 1.581e-33 1.000* -32.8010
CO(g) 6.149e-35 6.149e-35 1.000* -34.2112
S2(g) 1.378e-46 1.378e-46 1.000* -45.8608
SO2(g) 1.804e-54 1.766e-54 0.9786 -53.7531
Na(g) 5.097e-60 5.097e-60 1.000* -59.2927
K(g) 8.561e-62 8.561e-62 1.000* -61.0675
Cl2(g) 1.703e-73 1.703e-73 1.000* -72.7688
NO(g) 1.060e-79 1.060e-79 1.000* -78.9749
Mg(g) 3.320e-94 3.320e-94 1.000* -93.4789
O2(g) 7.157e-97 7.150e-97 0.9990 -96.1457
Ca(g) 5.713e-120 5.713e-120 1.000* -119.2432
NO2(g) 2.401e-120 2.401e-120 1.000* -119.6196
Al(g) 1.049e-138 1.049e-138 1.000* -137.9792
C(g) 9.351e-142 9.351e-142 1.000* -141.0291
Si(g) 1.917e-147 1.917e-147 1.000* -146.7174
*no data, gas taken to be ideal
In fluid Sorbed
Original basis total moles moles mg/kg moles mg/kg
-------------------------------------------------------------------------------------------------
H2O 4.997 4.996 1.000e+06
Al+++ 7.404e-05 2.483e-10 7.447e-05
Ca++ 5.031e-05 4.929e-05 21.96
Cl- 0.001725 0.001725 679.7
Fe++ 0.0007509 3.165e-06 1.965
H+ -0.001172 2.998e-05 0.3359
HCO3- 5.376e-15 5.376e-15 3.646e-09
HPO4-- 9.369e-13 9.369e-13 9.995e-07
K+ 3.643e-06 3.637e-06 1.580
Mg++ 0.0008882 0.0007664 207.1
Mn++ 1.637e-12 1.637e-12 9.995e-07
NH3(aq) 3.020e-05 3.020e-05 5.716
Na+ 5.352e-05 5.338e-05 13.64
Ni++ 3.777e-05 1.411e-10 9.207e-05
O2(aq) -0.004615 -0.003759 -1337.
SO4-- 0.0004185 1.588e-08 0.01696
SiO2(aq) 0.0008509 2.109e-06 1.409
In fluid Sorbed
Elemental composition total moles moles mg/kg moles mg/kg
-------------------------------------------------------------------------------------------------
Aluminum 7.404e-05 2.483e-10 7.447e-05
Calcium 5.031e-05 4.929e-05 21.96
Carbon 5.376e-15 5.376e-15 7.177e-10
Chlorine 0.001725 0.001725 679.7
Hydrogen 9.993 9.992 1.119e+05
Iron 0.0007509 3.165e-06 1.965
Magnesium 0.0008882 0.0007664 207.1
Manganese 1.637e-12 1.637e-12 9.995e-07
Nickel 3.777e-05 1.411e-10 9.207e-05
Nitrogen 3.020e-05 3.020e-05 4.701
Oxygen 4.991 4.988 8.871e+05
Phosphorus 9.369e-13 9.369e-13 3.225e-07
Potassium 3.643e-06 3.637e-06 1.580
Silicon 0.0008509 2.109e-06 0.6584
Sodium 5.352e-05 5.338e-05 13.64
Sulfur 0.0004185 1.588e-08 0.005660
Step # 9 Xi = 0.0023
Temperature = 0.0 C Pressure = 1.013 bar
pH = 7.984 log fO2 = -96.112
Eh = -0.5013 volts pe = -9.2504
Ionic strength = 0.028033 molal
Activity of water = 0.999339
Solvent mass = 0.089870 kg
Solution mass = 0.089968 kg
Mineral mass = 0.00016466 kg
Fluid density = 1.001 g/cm3
compressibility = 4.825e-05 /bar
expansivity = 8.006e-05 /C
viscosity = 0.018 poise
Chlorinity = 0.019192 molal
Dissolved solids = 1097 mg/kg sol'n
Elect. conductivity = 2281.19 uS/cm (or umho/cm)
Hardness = 897.61 mg/kg sol'n as CaCO3
carbonate = 0.00 mg/kg sol'n as CaCO3
non-carbonate = 897.61 mg/kg sol'n as CaCO3
Carbonate alkalinity= 0.00 mg/kg sol'n as CaCO3
Water type = Mg-Cl
Bulk volume = 89.9 cm3
Fluid volume = 89.9 cm3
Mineral volume = 0.0493 cm3
Inert volume = 0.00 cm3
Porosity = 99.9 %
Permeability = 96.8 cm2
Mass reacted = 0.211 g
moles moles grams cm3 rxn rate
Reactants remaining reacted reacted reacted (molal/sec)
---------------------------------------------------------------------------------------------------------
Al2O3 0.01937 4.535e-05 0.004624 -- --
CH4(g) (fixed fug.) -0.0002788 -0.004473 -- --
CO2(aq) 0.1019 0.0002386 0.01050 -- --
CaO 0.02633 6.164e-05 0.003457 -- --
FeO 0.3930 0.0009200 0.06610 0.01104 --
Formaldehyde(aq) 0.005976 1.399e-05 0.0004200 -- --
H2S(aq) 0.000 0.000 0.000 -- --
HCN(aq) 0.000 0.000 0.000 -- --
K2O 0.0009532 2.232e-06 0.0002102 9.011e-05 --
Methanol(aq) 0.01120 2.622e-05 0.0008401 -- --
MgO 0.4649 0.001088 0.04386 -- --
MnO 0.000 0.000 0.000 -- --
N2(g) 0.000 0.000 0.000 -- --
NH3(aq) 0.01580 3.700e-05 0.0006301 -- --
Na2O 0.01400 3.278e-05 0.002032 0.0008196 --
NiO 0.01977 4.628e-05 0.003457 -- --
P2O5 0.000 0.000 0.000 -- --
S 0.2190 0.0005128 0.01644 0.007954 --
SO2(g) 0.000 0.000 0.000 -- --
SO4-- 0.000 0.000 0.000 -- --
SiO2 0.4453 0.001043 0.06264 -- --
Minerals in system moles log moles grams volume (cm3)
-------------------------------------------------------------------------------------------
Kaolinite 1.324e-05 -4.878 0.003419 0.001318
Minnesotaite 0.0001347 -3.871 0.06383 0.01992
Ni 4.628e-05 -4.335 0.002716 0.0003049
Pyrrhotite 0.0005128 -3.290 0.04508 0.009332
Saponite-Mg 0.0001040 -3.983 0.03981 0.01390
Stilbite 1.372e-05 -4.863 0.009804 0.004575
_____________ _____________
(total) 0.1647 0.04934
Aqueous species molality mg/kg sol'n act. coef. log act.
------------------------------------------------------------------------------------------
H2(aq) 0.08045 162.0 1.0000 -1.0945
Cl- 0.01911 676.6 0.8511 -1.7889
Mg++ 0.008364 203.1 0.5897 -2.3069
Na+ 0.0007074 16.24 0.8573 -3.2172
Ca++ 0.0005291 21.18 0.5646 -3.5247
NH4+ 0.0004088 7.366 0.8477 -3.4602
MgCl+ 8.349e-05 4.984 0.8573 -4.1452
K+ 4.873e-05 1.903 0.8511 -4.3822
Fe++ 3.462e-05 1.932 0.5646 -4.7089
SiO2(aq) 2.333e-05 1.400 1.0000 -4.6321
NH3(aq) 2.848e-06 0.04845 1.0000 -5.5455
NaCl(aq) 1.463e-06 0.08542 1.0000 -5.8347
CaCl+ 1.203e-06 0.09078 0.8573 -5.9865
FeCl+ 2.611e-07 0.02381 0.8573 -6.6501
HS- 1.440e-07 0.004757 0.8543 -6.9101
OH- 1.295e-07 0.002199 0.8543 -6.9562
HSiO3- 1.245e-07 0.009589 0.8573 -6.9716
H2S(aq) 3.327e-08 0.001133 1.0000 -7.4780
CaCl2(aq) 2.789e-08 0.003092 1.0000 -7.5545
KCl(aq) 1.316e-08 0.0009799 1.0000 -7.8808
H+ 1.177e-08 1.185e-05 0.8822 -7.9838
(only species > 1e-8 molal listed)
Mineral saturation states log Q/K log Q/K
-----------------------------------------------------------------------------------------------
Heazlewoodite 7.9064s/sat Saponite-Na -0.6259
Daphnite-14A 0.4330s/sat Talc -0.6575
Millerite 0.3061s/sat Annite -0.6798
Diaspore 0.2239s/sat Montmor-K -0.6840
Polydymite 0.1989s/sat Montmor-Na -0.7273
Troilite 0.1079s/sat Coesite -0.8798
Kaolinite 0.0000 sat Maximum_Microcline -0.9321
Ni 0.0000 sat K-Feldspar -0.9365
Pyrrhotite 0.0000 sat Illite -0.9971
Minnesotaite 0.0000 sat Cristobalite(beta) -1.1308
Stilbite 0.0000 sat Saponite-H -1.1654
Saponite-Mg 0.0000 sat Beidellite-Mg -1.2409
Muscovite -0.0001 Beidellite-Ca -1.4305
Quartz -0.0002 SiO2(am) -1.5081
Ice -0.0470 Ferrosilite -1.6384
Montmor-Mg -0.0980 Beidellite-K -1.8271
Saponite-Ca -0.1928 Beidellite-Na -1.8638
Tridymite -0.2066 Pyrophyllite -1.8792
Boehmite -0.2243 Ripidolite-14A -1.9346
Gibbsite -0.2377 Scolecite -2.0112
Chalcedony -0.2962 Smectite-low-Fe-Mg -2.2019
Celadonite -0.3629 Phlogopite -2.2658
Montmor-Ca -0.3668 Sanidine_high -2.3090
Mesolite -0.5343 Chamosite-7A -2.3858
Saponite-K -0.5894 Beidellite-H -2.4029
Greenalite -0.6075 Chrysotile -2.7104
Cristobalite(alpha) -0.6108 Smectite-high-Fe-Mg -2.8633
(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) 82.09 82.16 1.001 1.9146
H2O(g) 0.005489 0.005026 0.9156 -2.2988
H2S(g) 1.544e-07 1.528e-07 0.9900 -6.8158
NH3(g) 1.220e-08 1.206e-08 0.9882 -7.9188
HCl(g) 5.644e-18 5.644e-18 1.000* -17.2484
N2(g) 1.537e-29 1.536e-29 0.9995 -28.8135
CO2(g) 2.392e-33 2.376e-33 0.9932 -32.6242
C2H4(g) 1.710e-33 1.710e-33 1.000* -32.7671
CO(g) 6.914e-35 6.914e-35 1.000* -34.1603
S2(g) 1.488e-46 1.488e-46 1.000* -45.8273
SO2(g) 2.028e-54 1.984e-54 0.9786 -53.7024
Na(g) 5.994e-60 5.994e-60 1.000* -59.2223
K(g) 1.016e-61 1.016e-61 1.000* -60.9930
Cl2(g) 1.755e-73 1.755e-73 1.000* -72.7557
NO(g) 1.438e-79 1.438e-79 1.000* -78.8421
Mg(g) 3.194e-94 3.194e-94 1.000* -93.4957
O2(g) 7.739e-97 7.731e-97 0.9990 -96.1117
Ca(g) 5.365e-120 5.365e-120 1.000* -119.2704
NO2(g) 3.390e-120 3.390e-120 1.000* -119.4698
Al(g) 9.897e-139 9.897e-139 1.000* -138.0045
C(g) 1.011e-141 1.011e-141 1.000* -140.9952
Si(g) 1.772e-147 1.772e-147 1.000* -146.7515
*no data, gas taken to be ideal
In fluid Sorbed
Original basis total moles moles mg/kg moles mg/kg
-------------------------------------------------------------------------------------------------
H2O 4.997 4.996 1.000e+06
Al+++ 9.071e-05 2.494e-10 7.480e-05
Ca++ 6.164e-05 4.766e-05 21.23
Cl- 0.001725 0.001725 679.7
Fe++ 0.0009200 3.135e-06 1.946
H+ -0.001824 3.674e-05 0.4115
HCO3- 5.590e-15 5.590e-15 3.791e-09
HPO4-- 9.369e-13 9.369e-13 9.995e-07
K+ 4.463e-06 4.381e-06 1.904
Mg++ 0.001088 0.0007592 205.1
Mn++ 1.637e-12 1.637e-12 9.995e-07
NH3(aq) 3.700e-05 3.700e-05 7.003
Na+ 6.557e-05 6.370e-05 16.28
Ni++ 4.628e-05 1.453e-10 9.479e-05
O2(aq) -0.004664 -0.003615 -1286.
SO4-- 0.0005128 1.593e-08 0.01701
SiO2(aq) 0.001043 2.108e-06 1.408
In fluid Sorbed
Elemental composition total moles moles mg/kg moles mg/kg
-------------------------------------------------------------------------------------------------
Aluminum 9.071e-05 2.494e-10 7.480e-05
Calcium 6.164e-05 4.766e-05 21.23
Carbon 5.590e-15 5.590e-15 7.463e-10
Chlorine 0.001725 0.001725 679.7
Hydrogen 9.992 9.992 1.119e+05
Iron 0.0009200 3.135e-06 1.946
Magnesium 0.001088 0.0007592 205.1
Manganese 1.637e-12 1.637e-12 9.995e-07
Nickel 4.628e-05 1.453e-10 9.479e-05
Nitrogen 3.700e-05 3.700e-05 5.760
Oxygen 4.992 4.989 8.871e+05
Phosphorus 9.369e-13 9.369e-13 3.225e-07
Potassium 4.463e-06 4.381e-06 1.904
Silicon 0.001043 2.108e-06 0.6582
Sodium 6.557e-05 6.370e-05 16.28
Sulfur 0.0005128 1.593e-08 0.005678
Step # 21 Xi = 0.0025
Temperature = 0.0 C Pressure = 1.013 bar
pH = 8.014 log fO2 = -96.101
Eh = -0.5028 volts pe = -9.2779
Ionic strength = 0.027993 molal
Activity of water = 0.999339
Solvent mass = 0.089871 kg
Solution mass = 0.089970 kg
Mineral mass = 0.00017447 kg
Fluid density = 1.001 g/cm3
compressibility = 4.825e-05 /bar
expansivity = 8.005e-05 /C
viscosity = 0.018 poise
Chlorinity = 0.019191 molal
Dissolved solids = 1099 mg/kg sol'n
Elect. conductivity = 2282.12 uS/cm (or umho/cm)
Hardness = 893.20 mg/kg sol'n as CaCO3
carbonate = 0.00 mg/kg sol'n as CaCO3
non-carbonate = 893.20 mg/kg sol'n as CaCO3
Carbonate alkalinity= 0.00 mg/kg sol'n as CaCO3
Water type = Mg-Cl
Bulk volume = 90.0 cm3
Fluid volume = 89.9 cm3
Mineral volume = 0.0512 cm3
Inert volume = 0.00 cm3
Porosity = 99.9 %
Permeability = 96.8 cm2
Mass reacted = 0.223 g
moles moles grams cm3 rxn rate
Reactants remaining reacted reacted reacted (molal/sec)
---------------------------------------------------------------------------------------------------------
Al2O3 0.01937 4.789e-05 0.004883 -- --
CH4(g) (fixed fug.) -0.0002944 -0.004723 -- --
CO2(aq) 0.1019 0.0002519 0.01109 -- --
CaO 0.02633 6.508e-05 0.003650 -- --
FeO 0.3929 0.0009714 0.06979 0.01166 --
Formaldehyde(aq) 0.005975 1.477e-05 0.0004435 -- --
H2S(aq) 0.000 0.000 0.000 -- --
HCN(aq) 0.000 0.000 0.000 -- --
K2O 0.0009531 2.356e-06 0.0002219 9.514e-05 --
Methanol(aq) 0.01120 2.768e-05 0.0008870 -- --
MgO 0.4648 0.001149 0.04631 -- --
MnO 0.000 0.000 0.000 -- --
N2(g) 0.000 0.000 0.000 -- --
NH3(aq) 0.01580 3.906e-05 0.0006653 -- --
Na2O 0.01400 3.462e-05 0.002145 0.0008654 --
NiO 0.01977 4.887e-05 0.003650 -- --
P2O5 0.000 0.000 0.000 -- --
S 0.2190 0.0005414 0.01736 0.008398 --
SO2(g) 0.000 0.000 0.000 -- --
SO4-- 0.000 0.000 0.000 -- --
SiO2 0.4453 0.001101 0.06614 -- --
Minerals in system moles log moles grams volume (cm3)
-------------------------------------------------------------------------------------------
Kaolinite 2.645e-05 -4.578 0.006828 0.002632
Minnesotaite 0.0001423 -3.847 0.06742 0.02104
Ni 4.887e-05 -4.311 0.002868 0.0003219
Pyrrhotite 0.0005414 -3.266 0.04760 0.009853
Saponite-Mg 0.0001299 -3.886 0.04975 0.01737
_____________ _____________
(total) 0.1745 0.05121
Aqueous species molality mg/kg sol'n act. coef. log act.
------------------------------------------------------------------------------------------
H2(aq) 0.07948 160.0 1.0000 -1.0998
Cl- 0.01911 676.6 0.8512 -1.7888
Mg++ 0.008128 197.3 0.5899 -2.3192
Na+ 0.0007688 17.65 0.8574 -3.1810
Ca++ 0.0007225 28.93 0.5648 -3.3893
NH4+ 0.0004314 7.774 0.8478 -3.4368
MgCl+ 8.117e-05 4.845 0.8574 -4.1574
K+ 5.242e-05 2.047 0.8512 -4.3505
Fe++ 3.464e-05 1.933 0.5648 -4.7085
SiO2(aq) 2.101e-05 1.261 1.0000 -4.6776
NH3(aq) 3.222e-06 0.05481 1.0000 -5.4919
CaCl+ 1.644e-06 0.1240 0.8574 -5.8510
NaCl(aq) 1.591e-06 0.09286 1.0000 -5.7984
FeCl+ 2.613e-07 0.02383 0.8574 -6.6496
OH- 1.388e-07 0.002357 0.8543 -6.9261
HS- 1.342e-07 0.004434 0.8543 -6.9406
HSiO3- 1.202e-07 0.009255 0.8574 -6.9870
CaCl2(aq) 3.812e-08 0.004226 1.0000 -7.4189
H2S(aq) 2.893e-08 0.0009848 1.0000 -7.5387
KCl(aq) 1.416e-08 0.001054 1.0000 -7.8490
H+ 1.098e-08 1.105e-05 0.8822 -8.0140
(only species > 1e-8 molal listed)
Mineral saturation states log Q/K log Q/K
-----------------------------------------------------------------------------------------------
Heazlewoodite 7.7957s/sat Cristobalite(alpha) -0.6563
Daphnite-14A 0.6908s/sat Talc -0.6955
Diaspore 0.2694s/sat Montmor-K -0.7537
Millerite 0.2507s/sat Montmor-Na -0.7956
Troilite 0.1079s/sat Coesite -0.9253
Muscovite 0.0617s/sat Maximum_Microcline -0.9612
Kaolinite 0.0000 sat K-Feldspar -0.9656
Ni 0.0000 sat Illite -1.0025
Pyrrhotite 0.0000 sat Saponite-H -1.1733
Minnesotaite 0.0000 sat Cristobalite(beta) -1.1763
Saponite-Mg 0.0000 sat Beidellite-Mg -1.2940
Stilbite -0.0023 Beidellite-Ca -1.4592
Polydymite -0.0226 SiO2(am) -1.5536
Quartz -0.0457 Ferrosilite -1.6233
Ice -0.0470 Ripidolite-14A -1.7147
Saponite-Ca -0.1685 Scolecite -1.8609
Boehmite -0.1788 Beidellite-K -1.8676
Montmor-Mg -0.1803 Beidellite-Na -1.9029
Gibbsite -0.1922 Pyrophyllite -1.9703
Tridymite -0.2521 Phlogopite -2.1509
Chalcedony -0.3417 Smectite-low-Fe-Mg -2.2185
Celadonite -0.3896 Chamosite-7A -2.2189
Mesolite -0.4073 Sanidine_high -2.3381
Montmor-Ca -0.4247 Beidellite-H -2.4639
Greenalite -0.5164 Chrysotile -2.6573
Annite -0.5269 Smectite-high-Fe-Mg -2.8436
Saponite-K -0.5769 Daphnite-7A -2.9237
Saponite-Na -0.6120
(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) 81.09 81.16 1.001 1.9093
H2O(g) 0.005489 0.005026 0.9156 -2.2988
H2S(g) 1.342e-07 1.329e-07 0.9900 -6.8765
NH3(g) 1.380e-08 1.364e-08 0.9882 -7.8652
HCl(g) 5.266e-18 5.266e-18 1.000* -17.2785
N2(g) 2.041e-29 2.040e-29 0.9995 -28.6905
CO2(g) 2.511e-33 2.494e-33 0.9932 -32.6030
C2H4(g) 1.752e-33 1.752e-33 1.000* -32.7565
CO(g) 7.171e-35 7.171e-35 1.000* -34.1444
S2(g) 1.153e-46 1.153e-46 1.000* -45.9381
SO2(g) 1.829e-54 1.790e-54 0.9786 -53.7472
Na(g) 6.940e-60 6.940e-60 1.000* -59.1586
K(g) 1.165e-61 1.165e-61 1.000* -60.9338
Cl2(g) 1.547e-73 1.547e-73 1.000* -72.8105
NO(g) 1.678e-79 1.678e-79 1.000* -78.7753
Mg(g) 3.524e-94 3.524e-94 1.000* -93.4530
O2(g) 7.930e-97 7.922e-97 0.9990 -96.1011
Ca(g) 8.319e-120 8.319e-120 1.000* -119.0799
NO2(g) 4.002e-120 4.002e-120 1.000* -119.3977
Al(g) 1.079e-138 1.079e-138 1.000* -137.9670
C(g) 1.036e-141 1.036e-141 1.000* -140.9846
Si(g) 1.557e-147 1.557e-147 1.000* -146.8076
*no data, gas taken to be ideal
In fluid Sorbed
Original basis total moles moles mg/kg moles mg/kg
-------------------------------------------------------------------------------------------------
H2O 4.997 4.996 1.000e+06
Al+++ 9.578e-05 2.948e-10 8.840e-05
Ca++ 6.508e-05 6.508e-05 28.99
Cl- 0.001725 0.001725 679.6
Fe++ 0.0009714 3.137e-06 1.947
H+ -0.002022 3.877e-05 0.4343
HCO3- 5.659e-15 5.659e-15 3.838e-09
HPO4-- 9.369e-13 9.369e-13 9.995e-07
K+ 4.712e-06 4.712e-06 2.048
Mg++ 0.001149 0.0007378 199.3
Mn++ 1.637e-12 1.637e-12 9.995e-07
NH3(aq) 3.906e-05 3.906e-05 7.394
Na+ 6.923e-05 6.923e-05 17.69
Ni++ 4.887e-05 1.280e-10 8.348e-05
O2(aq) -0.004679 -0.003571 -1270.
SO4-- 0.0005414 1.466e-08 0.01565
SiO2(aq) 0.001101 1.899e-06 1.269
In fluid Sorbed
Elemental composition total moles moles mg/kg moles mg/kg
-------------------------------------------------------------------------------------------------
Aluminum 9.578e-05 2.948e-10 8.840e-05
Calcium 6.508e-05 6.508e-05 28.99
Carbon 5.659e-15 5.659e-15 7.554e-10
Chlorine 0.001725 0.001725 679.6
Hydrogen 9.992 9.992 1.119e+05
Iron 0.0009714 3.137e-06 1.947
Magnesium 0.001149 0.0007378 199.3
Manganese 1.637e-12 1.637e-12 9.995e-07
Nickel 4.887e-05 1.280e-10 8.348e-05
Nitrogen 3.906e-05 3.906e-05 6.081
Oxygen 4.992 4.989 8.871e+05
Phosphorus 9.369e-13 9.369e-13 3.225e-07
Potassium 4.712e-06 4.712e-06 2.048
Silicon 0.001101 1.899e-06 0.5930
Sodium 6.923e-05 6.923e-05 17.69
Sulfur 0.0005414 1.466e-08 0.005225
Step # 22 Xi = 0.0025
Temperature = 0.0 C Pressure = 1.013 bar
pH = 8.116 log fO2 = -96.099
Eh = -0.5083 volts pe = -9.3792
Ionic strength = 0.027985 molal
Activity of water = 0.999339
Solvent mass = 0.089871 kg
Solution mass = 0.089970 kg
Mineral mass = 0.00017736 kg
Fluid density = 1.001 g/cm3
compressibility = 4.825e-05 /bar
expansivity = 8.005e-05 /C
viscosity = 0.018 poise
Chlorinity = 0.019191 molal
Dissolved solids = 1098 mg/kg sol'n
Elect. conductivity = 2282.22 uS/cm (or umho/cm)
Hardness = 891.98 mg/kg sol'n as CaCO3
carbonate = 0.00 mg/kg sol'n as CaCO3
non-carbonate = 891.98 mg/kg sol'n as CaCO3
Carbonate alkalinity= 0.00 mg/kg sol'n as CaCO3
Water type = Mg-Cl
Bulk volume = 90.0 cm3
Fluid volume = 89.9 cm3
Mineral volume = 0.0521 cm3
Inert volume = 0.00 cm3
Porosity = 99.9 %
Permeability = 96.7 cm2
Mass reacted = 0.225 g
moles moles grams cm3 rxn rate
Reactants remaining reacted reacted reacted (molal/sec)
---------------------------------------------------------------------------------------------------------
Al2O3 0.01937 4.851e-05 0.004946 -- --
CH4(g) (fixed fug.) -0.0002982 -0.004784 -- --
CO2(aq) 0.1019 0.0002552 0.01123 -- --
CaO 0.02633 6.593e-05 0.003697 -- --
FeO 0.3929 0.0009840 0.07070 0.01181 --
Formaldehyde(aq) 0.005975 1.496e-05 0.0004493 -- --
H2S(aq) 0.000 0.000 0.000 -- --
HCN(aq) 0.000 0.000 0.000 -- --
K2O 0.0009531 2.387e-06 0.0002248 9.638e-05 --
Methanol(aq) 0.01120 2.804e-05 0.0008986 -- --
MgO 0.4648 0.001164 0.04692 -- --
MnO 0.000 0.000 0.000 -- --
N2(g) 0.000 0.000 0.000 -- --
NH3(aq) 0.01580 3.957e-05 0.0006739 -- --
Na2O 0.01400 3.507e-05 0.002173 0.0008767 --
NiO 0.01977 4.950e-05 0.003697 -- --
P2O5 0.000 0.000 0.000 -- --
S 0.2190 0.0005485 0.01759 0.008507 --
SO2(g) 0.000 0.000 0.000 -- --
SO4-- 0.000 0.000 0.000 -- --
SiO2 0.4453 0.001115 0.06700 -- --
Minerals in system moles log moles grams volume (cm3)
-------------------------------------------------------------------------------------------
Gibbsite 1.100e-05 -4.959 0.0008578 0.0003514
Kaolinite 2.069e-05 -4.684 0.005342 0.002059
Minnesotaite 0.0001440 -3.842 0.06824 0.02129
Ni 4.950e-05 -4.305 0.002905 0.0003261
Pyrrhotite 0.0005485 -3.261 0.04822 0.009982
Saponite-Mg 0.0001353 -3.869 0.05180 0.01808
_____________ _____________
(total) 0.1774 0.05209
Aqueous species molality mg/kg sol'n act. coef. log act.
------------------------------------------------------------------------------------------
H2(aq) 0.07924 159.5 1.0000 -1.1011
Cl- 0.01911 676.6 0.8512 -1.7888
Mg++ 0.008107 196.8 0.5899 -2.3203
Na+ 0.0007788 17.88 0.8574 -3.1754
Ca++ 0.0007319 29.30 0.5648 -3.3836
NH4+ 0.0004362 7.860 0.8478 -3.4320
MgCl+ 8.096e-05 4.833 0.8574 -4.1585
K+ 5.310e-05 2.074 0.8512 -4.3449
Fe++ 3.907e-05 2.180 0.5648 -4.6562
SiO2(aq) 1.350e-05 0.8101 1.0000 -4.8697
NH3(aq) 4.120e-06 0.07008 1.0000 -5.3851
CaCl+ 1.665e-06 0.1256 0.8574 -5.8453
NaCl(aq) 1.611e-06 0.09407 1.0000 -5.7928
FeCl+ 2.948e-07 0.02688 0.8574 -6.5973
OH- 1.755e-07 0.002981 0.8544 -6.8241
HSiO3- 9.764e-08 0.007519 0.8574 -7.0772
HS- 9.408e-08 0.003108 0.8544 -7.0948
CaCl2(aq) 3.862e-08 0.004281 1.0000 -7.4132
H2S(aq) 1.604e-08 0.0005459 1.0000 -7.7949
KCl(aq) 1.434e-08 0.001068 1.0000 -7.8434
(only species > 1e-8 molal listed)
Mineral saturation states log Q/K log Q/K
-----------------------------------------------------------------------------------------------
Heazlewoodite 7.2858s/sat Cristobalite(alpha) -0.8484
Daphnite-14A 1.7798s/sat Talc -0.8558
Diaspore 0.4616s/sat Polydymite -1.0422
Muscovite 0.1693s/sat Montmor-K -1.0991
Troilite 0.1079s/sat Coesite -1.1174
Boehmite 0.0134s/sat Illite -1.1179
Kaolinite 0.0000 sat Montmor-Na -1.1410
Pyrrhotite 0.0000 sat Saponite-H -1.2068
Minnesotaite 0.0000 sat Maximum_Microcline -1.2379
Gibbsite 0.0000 sat K-Feldspar -1.2423
Ni 0.0000 sat Cristobalite(beta) -1.3684
Saponite-Mg 0.0000 sat Chamosite-7A -1.5143
Millerite -0.0042 Beidellite-Mg -1.5180
Annite -0.0350 Ferrosilite -1.5592
Ice -0.0470 Beidellite-Ca -1.6822
Greenalite -0.1321 SiO2(am) -1.7457
Saponite-Ca -0.1673 Phlogopite -1.8193
Quartz -0.2378 Daphnite-7A -1.8347
Mesolite -0.3929 Scolecite -1.8435
Tridymite -0.4442 Beidellite-K -2.0897
Montmor-Mg -0.5276 Beidellite-Na -2.1249
Chalcedony -0.5338 Pyrophyllite -2.3546
Saponite-K -0.5748 Smectite-low-Fe-Mg -2.3592
Saponite-Na -0.6099 Chrysotile -2.4333
Celadonite -0.6557 Sanidine_high -2.6148
Stilbite -0.6651 Beidellite-H -2.7214
Montmor-Ca -0.7710 Smectite-high-Fe-Mg -2.8258
Ripidolite-14A -0.7860
(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) 80.85 80.91 1.001 1.9080
H2O(g) 0.005489 0.005026 0.9156 -2.2988
H2S(g) 7.442e-08 7.367e-08 0.9900 -7.1327
NH3(g) 1.765e-08 1.744e-08 0.9882 -7.7584
HCl(g) 4.164e-18 4.164e-18 1.000* -17.3805
N2(g) 3.366e-29 3.365e-29 0.9995 -28.4731
CO2(g) 2.542e-33 2.525e-33 0.9932 -32.5978
C2H4(g) 1.763e-33 1.763e-33 1.000* -32.7538
CO(g) 7.237e-35 7.237e-35 1.000* -34.1405
S2(g) 3.565e-47 3.565e-47 1.000* -46.4479
SO2(g) 1.023e-54 1.001e-54 0.9786 -53.9995
Na(g) 8.878e-60 8.878e-60 1.000* -59.0517
K(g) 1.490e-61 1.490e-61 1.000* -60.8268
Cl2(g) 9.702e-74 9.702e-74 1.000* -73.0131
NO(g) 2.162e-79 2.162e-79 1.000* -78.6652
Mg(g) 5.604e-94 5.604e-94 1.000* -93.2515
O2(g) 7.978e-97 7.970e-97 0.9990 -96.0985
Ca(g) 1.344e-119 1.344e-119 1.000* -118.8717
NO2(g) 5.172e-120 5.172e-120 1.000* -119.2864
Al(g) 1.672e-138 1.672e-138 1.000* -137.7768
C(g) 1.042e-141 1.042e-141 1.000* -140.9819
Si(g) 9.944e-148 9.944e-148 1.000* -147.0024
*no data, gas taken to be ideal
In fluid Sorbed
Original basis total moles moles mg/kg moles mg/kg
-------------------------------------------------------------------------------------------------
H2O 4.997 4.996 1.000e+06
Al+++ 9.702e-05 5.684e-10 0.0001705
Ca++ 6.593e-05 6.593e-05 29.37
Cl- 0.001725 0.001725 679.6
Fe++ 0.0009840 3.538e-06 2.196
H+ -0.002071 3.919e-05 0.4390
HCO3- 5.676e-15 5.676e-15 3.849e-09
HPO4-- 9.369e-13 9.369e-13 9.995e-07
K+ 4.774e-06 4.774e-06 2.075
Mg++ 0.001164 0.0007359 198.8
Mn++ 1.637e-12 1.637e-12 9.995e-07
NH3(aq) 3.957e-05 3.957e-05 7.490
Na+ 7.013e-05 7.013e-05 17.92
Ni++ 4.950e-05 8.026e-11 5.236e-05
O2(aq) -0.004682 -0.003561 -1266.
SO4-- 0.0005485 9.897e-09 0.01057
SiO2(aq) 0.001115 1.222e-06 0.8162
In fluid Sorbed
Elemental composition total moles moles mg/kg moles mg/kg
-------------------------------------------------------------------------------------------------
Aluminum 9.702e-05 5.684e-10 0.0001705
Calcium 6.593e-05 6.593e-05 29.37
Carbon 5.676e-15 5.676e-15 7.577e-10
Chlorine 0.001725 0.001725 679.6
Hydrogen 9.992 9.992 1.119e+05
Iron 0.0009840 3.538e-06 2.196
Magnesium 0.001164 0.0007359 198.8
Manganese 1.637e-12 1.637e-12 9.995e-07
Nickel 4.950e-05 8.026e-11 5.236e-05
Nitrogen 3.957e-05 3.957e-05 6.161
Oxygen 4.992 4.989 8.871e+05
Phosphorus 9.369e-13 9.369e-13 3.225e-07
Potassium 4.774e-06 4.774e-06 2.075
Silicon 0.001115 1.222e-06 0.3815
Sodium 7.013e-05 7.013e-05 17.92
Sulfur 0.0005485 9.897e-09 0.003527
Step # 25 Xi = 0.0026
Temperature = 0.0 C Pressure = 1.013 bar
pH = 8.118 log fO2 = -96.090
Eh = -0.5083 volts pe = -9.3787
Ionic strength = 0.027959 molal
Activity of water = 0.999339
Solvent mass = 0.089871 kg
Solution mass = 0.089970 kg
Mineral mass = 0.00018703 kg
Fluid density = 1.001 g/cm3
compressibility = 4.825e-05 /bar
expansivity = 8.005e-05 /C
viscosity = 0.018 poise
Chlorinity = 0.019191 molal
Dissolved solids = 1098 mg/kg sol'n
Elect. conductivity = 2282.86 uS/cm (or umho/cm)
Hardness = 889.26 mg/kg sol'n as CaCO3
carbonate = 0.00 mg/kg sol'n as CaCO3
non-carbonate = 889.26 mg/kg sol'n as CaCO3
Carbonate alkalinity= 0.00 mg/kg sol'n as CaCO3
Water type = Mg-Cl
Bulk volume = 90.0 cm3
Fluid volume = 89.9 cm3
Mineral volume = 0.0550 cm3
Inert volume = 0.00 cm3
Porosity = 99.9 %
Permeability = 96.6 cm2
Mass reacted = 0.235 g
moles moles grams cm3 rxn rate
Reactants remaining reacted reacted reacted (molal/sec)
---------------------------------------------------------------------------------------------------------
Al2O3 0.01937 5.061e-05 0.005160 -- --
CH4(g) (fixed fug.) -0.0003111 -0.004991 -- --
CO2(aq) 0.1019 0.0002662 0.01172 -- --
CaO 0.02632 6.878e-05 0.003857 -- --
FeO 0.3929 0.001027 0.07375 0.01232 --
Formaldehyde(aq) 0.005974 1.561e-05 0.0004687 -- --
H2S(aq) 0.000 0.000 0.000 -- --
HCN(aq) 0.000 0.000 0.000 -- --
K2O 0.0009530 2.490e-06 0.0002345 0.0001005 --
Methanol(aq) 0.01120 2.925e-05 0.0009374 -- --
MgO 0.4647 0.001214 0.04894 -- --
MnO 0.000 0.000 0.000 -- --
N2(g) 0.000 0.000 0.000 -- --
NH3(aq) 0.01580 4.128e-05 0.0007030 -- --
Na2O 0.01400 3.658e-05 0.002267 0.0009145 --
NiO 0.01976 5.164e-05 0.003857 -- --
P2O5 0.000 0.000 0.000 -- --
S 0.2190 0.0005722 0.01835 0.008875 --
SO2(g) 0.000 0.000 0.000 -- --
SO4-- 0.000 0.000 0.000 -- --
SiO2 0.4452 0.001163 0.06989 -- --
Minerals in system moles log moles grams volume (cm3)
-------------------------------------------------------------------------------------------
Gibbsite 5.078e-05 -4.294 0.003961 0.001623
Minnesotaite 0.0001503 -3.823 0.07122 0.02222
Ni 5.164e-05 -4.287 0.003031 0.0003402
Pyrrhotite 0.0005721 -3.242 0.05030 0.01041
Saponite-Mg 0.0001528 -3.816 0.05852 0.02043
_____________ _____________
(total) 0.1870 0.05503
Aqueous species molality mg/kg sol'n act. coef. log act.
------------------------------------------------------------------------------------------
H2(aq) 0.07843 157.9 1.0000 -1.1055
Cl- 0.01911 676.7 0.8512 -1.7888
Mg++ 0.008049 195.4 0.5900 -2.3234
Na+ 0.0008124 18.66 0.8575 -3.1570
Ca++ 0.0007635 30.57 0.5649 -3.3652
NH4+ 0.0004550 8.199 0.8479 -3.4136
MgCl+ 8.039e-05 4.799 0.8575 -4.1616
K+ 5.540e-05 2.164 0.8512 -4.3265
Fe++ 3.880e-05 2.164 0.5649 -4.6592
SiO2(aq) 1.349e-05 0.8095 1.0000 -4.8701
NH3(aq) 4.315e-06 0.07340 1.0000 -5.3651
CaCl+ 1.738e-06 0.1311 0.8575 -5.8268
NaCl(aq) 1.681e-06 0.09815 1.0000 -5.7744
FeCl+ 2.928e-07 0.02670 0.8575 -6.6003
OH- 1.762e-07 0.002993 0.8544 -6.8224
HSiO3- 9.795e-08 0.007543 0.8575 -7.0758
HS- 9.436e-08 0.003117 0.8544 -7.0936
CaCl2(aq) 4.030e-08 0.004468 1.0000 -7.3947
H2S(aq) 1.602e-08 0.0005454 1.0000 -7.7953
KCl(aq) 1.496e-08 0.001114 1.0000 -7.8249
(only species > 1e-8 molal listed)
Mineral saturation states log Q/K log Q/K
-----------------------------------------------------------------------------------------------
Heazlewoodite 7.2939s/sat Cristobalite(alpha) -0.8488
Daphnite-14A 1.7809s/sat Talc -0.8560
Diaspore 0.4616s/sat Polydymite -1.0261
Muscovite 0.1885s/sat Montmor-K -1.0936
Troilite 0.1079s/sat Illite -1.1068
Boehmite 0.0134s/sat Coesite -1.1178
Pyrrhotite 0.0000 sat Montmor-Na -1.1355
Saponite-Mg 0.0000 sat Saponite-H -1.2069
Minnesotaite 0.0000 sat Maximum_Microcline -1.2188
Gibbsite 0.0000 sat K-Feldspar -1.2232
Ni 0.0000 sat Cristobalite(beta) -1.3688
Millerite -0.0002 Chamosite-7A -1.5138
Kaolinite -0.0006 Beidellite-Mg -1.5191
Annite -0.0146 Ferrosilite -1.5591
Ice -0.0470 Beidellite-Ca -1.6797
Greenalite -0.1315 SiO2(am) -1.7461
Saponite-Ca -0.1638 Phlogopite -1.7990
Quartz -0.2382 Scolecite -1.8226
Mesolite -0.3658 Daphnite-7A -1.8336
Tridymite -0.4446 Beidellite-K -2.0842
Montmor-Mg -0.5287 Beidellite-Na -2.1195
Chalcedony -0.5342 Smectite-low-Fe-Mg -2.3520
Saponite-K -0.5683 Pyrophyllite -2.3559
Saponite-Na -0.6034 Chrysotile -2.4328
Celadonite -0.6365 Sanidine_high -2.5957
Stilbite -0.6421 Beidellite-H -2.7226
Montmor-Ca -0.7685 Smectite-high-Fe-Mg -2.8191
Ripidolite-14A -0.7850
(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) 80.02 80.09 1.001 1.9036
H2O(g) 0.005489 0.005026 0.9156 -2.2988
H2S(g) 7.435e-08 7.360e-08 0.9900 -7.1331
NH3(g) 1.849e-08 1.827e-08 0.9882 -7.7384
HCl(g) 4.148e-18 4.148e-18 1.000* -17.3821
N2(g) 3.808e-29 3.806e-29 0.9995 -28.4196
CO2(g) 2.648e-33 2.630e-33 0.9932 -32.5800
C2H4(g) 1.799e-33 1.799e-33 1.000* -32.7450
CO(g) 7.462e-35 7.462e-35 1.000* -34.1271
S2(g) 3.632e-47 3.632e-47 1.000* -46.4399
SO2(g) 1.054e-54 1.031e-54 0.9786 -53.9865
Na(g) 9.251e-60 9.251e-60 1.000* -59.0338
K(g) 1.553e-61 1.553e-61 1.000* -60.8090
Cl2(g) 9.727e-74 9.727e-74 1.000* -73.0120
NO(g) 2.322e-79 2.322e-79 1.000* -78.6340
Mg(g) 5.552e-94 5.552e-94 1.000* -93.2556
O2(g) 8.143e-97 8.135e-97 0.9990 -96.0896
Ca(g) 1.399e-119 1.399e-119 1.000* -118.8543
NO2(g) 5.614e-120 5.614e-120 1.000* -119.2507
Al(g) 1.647e-138 1.647e-138 1.000* -137.7834
C(g) 1.064e-141 1.064e-141 1.000* -140.9731
Si(g) 9.736e-148 9.736e-148 1.000* -147.0116
*no data, gas taken to be ideal
In fluid Sorbed
Original basis total moles moles mg/kg moles mg/kg
-------------------------------------------------------------------------------------------------
H2O 4.997 4.996 1.000e+06
Al+++ 0.0001012 5.705e-10 0.0001711
Ca++ 6.878e-05 6.878e-05 30.64
Cl- 0.001725 0.001725 679.6
Fe++ 0.001027 3.513e-06 2.181
H+ -0.002235 4.088e-05 0.4579
HCO3- 5.734e-15 5.734e-15 3.889e-09
HPO4-- 9.369e-13 9.369e-13 9.995e-07
K+ 4.980e-06 4.980e-06 2.164
Mg++ 0.001214 0.0007306 197.4
Mn++ 1.637e-12 1.637e-12 9.995e-07
NH3(aq) 4.128e-05 4.128e-05 7.814
Na+ 7.316e-05 7.316e-05 18.70
Ni++ 5.164e-05 8.043e-11 5.247e-05
O2(aq) -0.004694 -0.003524 -1253.
SO4-- 0.0005722 9.920e-09 0.01059
SiO2(aq) 0.001163 1.221e-06 0.8157
In fluid Sorbed
Elemental composition total moles moles mg/kg moles mg/kg
-------------------------------------------------------------------------------------------------
Aluminum 0.0001012 5.705e-10 0.0001711
Calcium 6.878e-05 6.878e-05 30.64
Carbon 5.734e-15 5.734e-15 7.655e-10
Chlorine 0.001725 0.001725 679.6
Hydrogen 9.992 9.992 1.119e+05
Iron 0.001027 3.513e-06 2.181
Magnesium 0.001214 0.0007306 197.4
Manganese 1.637e-12 1.637e-12 9.995e-07
Nickel 5.164e-05 8.043e-11 5.247e-05
Nitrogen 4.128e-05 4.128e-05 6.427
Oxygen 4.992 4.989 8.871e+05
Phosphorus 9.369e-13 9.369e-13 3.225e-07
Potassium 4.980e-06 4.980e-06 2.164
Silicon 0.001163 1.221e-06 0.3813
Sodium 7.316e-05 7.316e-05 18.70
Sulfur 0.0005722 9.920e-09 0.003536
Step # 26 Xi = 0.0026
Temperature = 0.0 C Pressure = 1.013 bar
pH = 8.408 log fO2 = -96.086
Eh = -0.5240 volts pe = -9.6680
Ionic strength = 0.027974 molal
Activity of water = 0.999339
Solvent mass = 0.089872 kg
Solution mass = 0.089970 kg
Mineral mass = 0.00019059 kg
Fluid density = 1.001 g/cm3
compressibility = 4.825e-05 /bar
expansivity = 8.006e-05 /C
viscosity = 0.018 poise
Chlorinity = 0.019191 molal
Dissolved solids = 1096 mg/kg sol'n
Elect. conductivity = 2281.47 uS/cm (or umho/cm)
Hardness = 889.90 mg/kg sol'n as CaCO3
carbonate = 0.00 mg/kg sol'n as CaCO3
non-carbonate = 889.90 mg/kg sol'n as CaCO3
Carbonate alkalinity= 0.00 mg/kg sol'n as CaCO3
Water type = Mg-Cl
Bulk volume = 90.0 cm3
Fluid volume = 89.9 cm3
Mineral volume = 0.0560 cm3
Inert volume = 0.00 cm3
Porosity = 99.9 %
Permeability = 96.6 cm2
Mass reacted = 0.239 g
moles moles grams cm3 rxn rate
Reactants remaining reacted reacted reacted (molal/sec)
---------------------------------------------------------------------------------------------------------
Al2O3 0.01937 5.141e-05 0.005242 -- --
CH4(g) (fixed fug.) -0.0003161 -0.005070 -- --
CO2(aq) 0.1019 0.0002705 0.01190 -- --
CaO 0.02632 6.987e-05 0.003918 -- --
FeO 0.3929 0.001043 0.07493 0.01251 --
Formaldehyde(aq) 0.005974 1.586e-05 0.0004761 -- --
H2S(aq) 0.000 0.000 0.000 -- --
HCN(aq) 0.000 0.000 0.000 -- --
K2O 0.0009529 2.530e-06 0.0002383 0.0001021 --
Methanol(aq) 0.01120 2.972e-05 0.0009523 -- --
MgO 0.4647 0.001234 0.04972 -- --
MnO 0.000 0.000 0.000 -- --
N2(g) 0.000 0.000 0.000 -- --
NH3(aq) 0.01580 4.194e-05 0.0007142 -- --
Na2O 0.01400 3.716e-05 0.002303 0.0009291 --
NiO 0.01976 5.246e-05 0.003918 -- --
P2O5 0.000 0.000 0.000 -- --
S 0.2190 0.0005813 0.01864 0.009016 --
SO2(g) 0.000 0.000 0.000 -- --
SO4-- 0.000 0.000 0.000 -- --
SiO2 0.4452 0.001182 0.07101 -- --
Minerals in system moles log moles grams volume (cm3)
-------------------------------------------------------------------------------------------
Annite 4.224e-06 -5.374 0.002162 0.0006519
Daphnite-7A 2.194e-06 -5.659 0.001565 0.0004853
Gibbsite 4.171e-05 -4.380 0.003253 0.001333
Minnesotaite 0.0001446 -3.840 0.06850 0.02137
Ni 5.246e-05 -4.280 0.003079 0.0003456
Pyrrhotite 0.0005813 -3.236 0.05110 0.01058
Saponite-Mg 0.0001591 -3.798 0.06092 0.02127
_____________ _____________
(total) 0.1906 0.05604
Aqueous species molality mg/kg sol'n act. coef. log act.
------------------------------------------------------------------------------------------
H2(aq) 0.07812 157.3 1.0000 -1.1072
Cl- 0.01911 676.7 0.8512 -1.7888
Mg++ 0.008043 195.3 0.5900 -2.3238
Na+ 0.0008253 18.95 0.8574 -3.1502
Ca++ 0.0007757 31.05 0.5649 -3.3584
NH4+ 0.0004582 8.256 0.8479 -3.4106
MgCl+ 8.033e-05 4.795 0.8574 -4.1619
Fe++ 4.736e-05 2.642 0.5649 -4.5727
K+ 9.287e-06 0.3627 0.8512 -5.1021
NH3(aq) 8.473e-06 0.1441 1.0000 -5.0720
SiO2(aq) 4.265e-06 0.2560 1.0000 -5.3701
CaCl+ 1.765e-06 0.1332 0.8574 -5.8201
NaCl(aq) 1.708e-06 0.09970 1.0000 -5.7675
FeCl+ 3.573e-07 0.03259 0.8574 -6.5137
OH- 3.436e-07 0.005837 0.8544 -6.5323
HSiO3- 6.040e-08 0.004651 0.8574 -7.2857
CaCl2(aq) 4.093e-08 0.004538 1.0000 -7.3879
HS- 3.964e-08 0.001310 0.8544 -7.4702
AlO2- 1.145e-08 0.0006745 0.8574 -8.0080
(only species > 1e-8 molal listed)
Mineral saturation states log Q/K log Q/K
-----------------------------------------------------------------------------------------------
Heazlewoodite 5.9638s/sat Kaolinite -1.0008
Daphnite-14A 3.6145s/sat Chalcedony -1.0342
Greenalite 0.8687s/sat Talc -1.1167
Ripidolite-14A 0.7878s/sat Mesolite -1.2846
Diaspore 0.4616s/sat Saponite-H -1.3025
Troilite 0.1079s/sat Cristobalite(alpha) -1.3488
Boehmite 0.0134s/sat Ferrosilite -1.3924
Pyrrhotite 0.0000 sat Coesite -1.6178
Ni 0.0000 sat Clinochlore-14A -1.6302
Annite 0.0000 sat Chrysotile -1.6934
Daphnite-7A 0.0000 sat Muscovite -1.7972
Gibbsite 0.0000 sat Cristobalite(beta) -1.8688
Saponite-Mg 0.0000 sat Phlogopite -2.0452
Minnesotaite 0.0000 sat Montmor-Mg -2.2419
Ice -0.0470 SiO2(am) -2.2461
Saponite-Ca -0.1626 Fayalite -2.3266
Saponite-Na -0.6010 Montmor-Ca -2.4805
Millerite -0.6652 Celadonite -2.5424
Chamosite-7A -0.6804 Scolecite -2.7358
Quartz -0.7382 Ripidolite-7A -2.8121
Saponite-K -0.8242 Montmor-Na -2.8464
Tridymite -0.9446 FeO -2.9851
(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) 79.71 79.77 1.001 1.9019
H2O(g) 0.005489 0.005026 0.9156 -2.2988
NH3(g) 3.630e-08 3.587e-08 0.9882 -7.4453
H2S(g) 1.601e-08 1.585e-08 0.9900 -7.7999
HCl(g) 2.127e-18 2.127e-18 1.000* -17.6722
N2(g) 1.486e-28 1.485e-28 0.9995 -27.8282
CO2(g) 2.690e-33 2.672e-33 0.9932 -32.5731
C2H4(g) 1.813e-33 1.813e-33 1.000* -32.7415
CO(g) 7.551e-35 7.551e-35 1.000* -34.1220
S2(g) 1.699e-48 1.699e-48 1.000* -47.7699
SO2(g) 2.298e-55 2.248e-55 0.9786 -54.6481
Na(g) 1.829e-59 1.829e-59 1.000* -58.7377
K(g) 5.066e-62 5.066e-62 1.000* -61.2953
Cl2(g) 2.567e-74 2.567e-74 1.000* -73.5906
NO(g) 4.606e-79 4.606e-79 1.000* -78.3367
Mg(g) 2.102e-93 2.102e-93 1.000* -92.6774
O2(g) 8.208e-97 8.200e-97 0.9990 -96.0862
Ca(g) 5.383e-119 5.383e-119 1.000* -118.2690
NO2(g) 1.118e-119 1.118e-119 1.000* -118.9516
Al(g) 1.637e-138 1.637e-138 1.000* -137.7860
C(g) 1.072e-141 1.072e-141 1.000* -140.9696
Si(g) 3.054e-148 3.054e-148 1.000* -147.5151
*no data, gas taken to be ideal
In fluid Sorbed
Original basis total moles moles mg/kg moles mg/kg
-------------------------------------------------------------------------------------------------
H2O 4.997 4.996 1.000e+06
Al+++ 0.0001028 1.071e-09 0.0003212
Ca++ 6.987e-05 6.987e-05 31.13
Cl- 0.001725 0.001725 679.6
Fe++ 0.001043 4.288e-06 2.662
H+ -0.002298 4.114e-05 0.4609
HCO3- 5.757e-15 5.757e-15 3.904e-09
HPO4-- 9.369e-13 9.369e-13 9.995e-07
K+ 5.059e-06 8.349e-07 0.3628
Mg++ 0.001234 0.0007301 197.2
Mn++ 1.637e-12 1.637e-12 9.995e-07
NH3(aq) 4.194e-05 4.194e-05 7.938
Na+ 7.433e-05 7.433e-05 18.99
Ni++ 5.246e-05 2.123e-11 1.385e-05
O2(aq) -0.004699 -0.003510 -1249.
SO4-- 0.0005813 3.873e-09 0.004135
SiO2(aq) 0.001182 3.890e-07 0.2598
In fluid Sorbed
Elemental composition total moles moles mg/kg moles mg/kg
-------------------------------------------------------------------------------------------------
Aluminum 0.0001028 1.071e-09 0.0003212
Calcium 6.987e-05 6.987e-05 31.13
Carbon 5.757e-15 5.757e-15 7.685e-10
Chlorine 0.001725 0.001725 679.6
Hydrogen 9.992 9.992 1.119e+05
Iron 0.001043 4.288e-06 2.662
Magnesium 0.001234 0.0007301 197.2
Manganese 1.637e-12 1.637e-12 9.995e-07
Nickel 5.246e-05 2.123e-11 1.385e-05
Nitrogen 4.194e-05 4.194e-05 6.529
Oxygen 4.993 4.989 8.871e+05
Phosphorus 9.369e-13 9.369e-13 3.225e-07
Potassium 5.059e-06 8.349e-07 0.3628
Silicon 0.001182 3.890e-07 0.1214
Sodium 7.433e-05 7.433e-05 18.99
Sulfur 0.0005813 3.873e-09 0.001380
Step # 29 Xi = 0.0028
Temperature = 0.0 C Pressure = 1.013 bar
pH = 8.412 log fO2 = -96.071
Eh = -0.5240 volts pe = -9.6679
Ionic strength = 0.027930 molal
Activity of water = 0.999339
Solvent mass = 0.089873 kg
Solution mass = 0.089971 kg
Mineral mass = 0.00020638 kg
Fluid density = 1.001 g/cm3
compressibility = 4.825e-05 /bar
expansivity = 8.006e-05 /C
viscosity = 0.018 poise
Chlorinity = 0.019191 molal
Dissolved solids = 1095 mg/kg sol'n
Elect. conductivity = 2282.43 uS/cm (or umho/cm)
Hardness = 885.44 mg/kg sol'n as CaCO3
carbonate = 0.00 mg/kg sol'n as CaCO3
non-carbonate = 885.44 mg/kg sol'n as CaCO3
Carbonate alkalinity= 0.00 mg/kg sol'n as CaCO3
Water type = Mg-Cl
Bulk volume = 90.0 cm3
Fluid volume = 89.9 cm3
Mineral volume = 0.0606 cm3
Inert volume = 0.00 cm3
Porosity = 99.9 %
Permeability = 96.4 cm2
Mass reacted = 0.256 g
moles moles grams cm3 rxn rate
Reactants remaining reacted reacted reacted (molal/sec)
---------------------------------------------------------------------------------------------------------
Al2O3 0.01936 5.503e-05 0.005611 -- --
CH4(g) (fixed fug.) -0.0003383 -0.005427 -- --
CO2(aq) 0.1019 0.0002895 0.01274 -- --
CaO 0.02632 7.479e-05 0.004194 -- --
FeO 0.3928 0.001116 0.08019 0.01339 --
Formaldehyde(aq) 0.005973 1.697e-05 0.0005096 -- --
H2S(aq) 0.000 0.000 0.000 -- --
HCN(aq) 0.000 0.000 0.000 -- --
K2O 0.0009527 2.707e-06 0.0002550 0.0001093 --
Methanol(aq) 0.01119 3.181e-05 0.001019 -- --
MgO 0.4646 0.001320 0.05322 -- --
MnO 0.000 0.000 0.000 -- --
N2(g) 0.000 0.000 0.000 -- --
NH3(aq) 0.01580 4.489e-05 0.0007644 -- --
Na2O 0.01400 3.978e-05 0.002465 0.0009944 --
NiO 0.01976 5.615e-05 0.004194 -- --
P2O5 0.000 0.000 0.000 -- --
S 0.2189 0.0006221 0.01995 0.009650 --
SO2(g) 0.000 0.000 0.000 -- --
SO4-- 0.000 0.000 0.000 -- --
SiO2 0.4451 0.001265 0.07600 -- --
Minerals in system moles log moles grams volume (cm3)
-------------------------------------------------------------------------------------------
Annite 4.584e-06 -5.339 0.002347 0.0007075
Daphnite-7A 2.150e-05 -4.668 0.01534 0.004755
Minnesotaite 0.0001229 -3.911 0.05822 0.01817
Ni 5.615e-05 -4.251 0.003295 0.0003699
Pyrrhotite 0.0006221 -3.206 0.05469 0.01132
Saponite-Mg 0.0001893 -3.723 0.07249 0.02530
_____________ _____________
(total) 0.2064 0.06062
Aqueous species molality mg/kg sol'n act. coef. log act.
------------------------------------------------------------------------------------------
H2(aq) 0.07673 154.5 1.0000 -1.1150
Cl- 0.01911 676.7 0.8513 -1.7887
Mg++ 0.007945 192.9 0.5901 -2.3290
Na+ 0.0008833 20.29 0.8575 -3.1206
Ca++ 0.0008302 33.24 0.5650 -3.3287
NH4+ 0.0004903 8.834 0.8480 -3.3812
MgCl+ 7.937e-05 4.738 0.8575 -4.1671
Fe++ 4.677e-05 2.609 0.5650 -4.5779
K+ 9.237e-06 0.3607 0.8513 -5.1044
NH3(aq) 9.148e-06 0.1556 1.0000 -5.0387
SiO2(aq) 4.247e-06 0.2549 1.0000 -5.3719
CaCl+ 1.890e-06 0.1426 0.8575 -5.7904
NaCl(aq) 1.828e-06 0.1067 1.0000 -5.7380
FeCl+ 3.530e-07 0.03220 0.8575 -6.5189
OH- 3.466e-07 0.005888 0.8545 -6.5285
HSiO3- 6.068e-08 0.004673 0.8575 -7.2837
CaCl2(aq) 4.384e-08 0.004860 1.0000 -7.3582
HS- 3.977e-08 0.001314 0.8545 -7.4688
AlO2- 1.146e-08 0.0006752 0.8575 -8.0075
(only species > 1e-8 molal listed)
Mineral saturation states log Q/K log Q/K
-----------------------------------------------------------------------------------------------
Heazlewoodite 5.9746s/sat Kaolinite -1.0110
Daphnite-14A 3.6145s/sat Chalcedony -1.0360
Greenalite 0.8723s/sat Talc -1.1166
Ripidolite-14A 0.7879s/sat Mesolite -1.2496
Diaspore 0.4583s/sat Saponite-H -1.3029
Troilite 0.1079s/sat Cristobalite(alpha) -1.3506
Boehmite 0.0101s/sat Ferrosilite -1.3918
Ni 0.0000 sat Coesite -1.6196
Saponite-Mg 0.0000 sat Clinochlore-14A -1.6301
Annite 0.0000 sat Chrysotile -1.6897
Daphnite-7A 0.0000 sat Muscovite -1.8111
Minnesotaite 0.0000 sat Cristobalite(beta) -1.8706
Pyrrhotite 0.0000 sat Phlogopite -2.0451
Gibbsite -0.0033 SiO2(am) -2.2479
Ice -0.0470 Montmor-Mg -2.2535
Saponite-Ca -0.1569 Fayalite -2.3236
Saponite-Na -0.5904 Montmor-Ca -2.4864
Millerite -0.6599 Celadonite -2.5490
Chamosite-7A -0.6840 Scolecite -2.7106
Quartz -0.7400 Ripidolite-7A -2.8120
Saponite-K -0.8241 Montmor-Na -2.8473
Tridymite -0.9464 FeO -2.9827
(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) 78.29 78.35 1.001 1.8941
H2O(g) 0.005489 0.005026 0.9156 -2.2988
NH3(g) 3.919e-08 3.873e-08 0.9882 -7.4120
H2S(g) 1.593e-08 1.577e-08 0.9900 -7.8023
HCl(g) 2.109e-18 2.109e-18 1.000* -17.6760
N2(g) 1.828e-28 1.827e-28 0.9995 -27.7382
CO2(g) 2.891e-33 2.871e-33 0.9932 -32.5419
C2H4(g) 1.880e-33 1.880e-33 1.000* -32.7259
CO(g) 7.969e-35 7.969e-35 1.000* -34.0986
S2(g) 1.741e-48 1.741e-48 1.000* -47.7592
SO2(g) 2.411e-55 2.360e-55 0.9786 -54.6272
Na(g) 1.958e-59 1.958e-59 1.000* -58.7082
K(g) 5.038e-62 5.038e-62 1.000* -61.2977
Cl2(g) 2.569e-74 2.569e-74 1.000* -73.5903
NO(g) 5.202e-79 5.202e-79 1.000* -78.2839
Mg(g) 2.076e-93 2.076e-93 1.000* -92.6828
O2(g) 8.508e-97 8.500e-97 0.9990 -96.0706
Ca(g) 5.761e-119 5.761e-119 1.000* -118.2395
NO2(g) 1.285e-119 1.285e-119 1.000* -118.8910
Al(g) 1.581e-138 1.581e-138 1.000* -137.8010
C(g) 1.112e-141 1.112e-141 1.000* -140.9540
Si(g) 2.934e-148 2.934e-148 1.000* -147.5325
*no data, gas taken to be ideal
In fluid Sorbed
Original basis total moles moles mg/kg moles mg/kg
-------------------------------------------------------------------------------------------------
H2O 4.997 4.996 1.000e+06
Al+++ 0.0001101 1.072e-09 0.0003215
Ca++ 7.479e-05 7.479e-05 33.31
Cl- 0.001725 0.001725 679.6
Fe++ 0.001116 4.235e-06 2.629
H+ -0.002581 4.403e-05 0.4932
HCO3- 5.861e-15 5.861e-15 3.975e-09
HPO4-- 9.369e-13 9.369e-13 9.995e-07
K+ 5.415e-06 8.304e-07 0.3608
Mg++ 0.001320 0.0007212 194.8
Mn++ 1.637e-12 1.637e-12 9.995e-07
NH3(aq) 4.489e-05 4.489e-05 8.496
Na+ 7.955e-05 7.955e-05 20.33
Ni++ 5.615e-05 2.123e-11 1.385e-05
O2(aq) -0.004720 -0.003448 -1226.
SO4-- 0.0006221 3.882e-09 0.004145
SiO2(aq) 0.001265 3.874e-07 0.2587
In fluid Sorbed
Elemental composition total moles moles mg/kg moles mg/kg
-------------------------------------------------------------------------------------------------
Aluminum 0.0001101 1.072e-09 0.0003215
Calcium 7.479e-05 7.479e-05 33.31
Carbon 5.861e-15 5.861e-15 7.825e-10
Chlorine 0.001725 0.001725 679.6
Hydrogen 9.992 9.991 1.119e+05
Iron 0.001116 4.235e-06 2.629
Magnesium 0.001320 0.0007212 194.8
Manganese 1.637e-12 1.637e-12 9.995e-07
Nickel 5.615e-05 2.123e-11 1.385e-05
Nitrogen 4.489e-05 4.489e-05 6.988
Oxygen 4.993 4.989 8.871e+05
Phosphorus 9.369e-13 9.369e-13 3.225e-07
Potassium 5.415e-06 8.304e-07 0.3608
Silicon 0.001265 3.874e-07 0.1209
Sodium 7.955e-05 7.955e-05 20.33
Sulfur 0.0006221 3.882e-09 0.001384
Step # 30 Xi = 0.0028
Temperature = 0.0 C Pressure = 1.013 bar
pH = 8.967 log fO2 = -96.070
Eh = -0.5541 volts pe = -10.2236
Ionic strength = 0.027938 molal
Activity of water = 0.999339
Solvent mass = 0.089873 kg
Solution mass = 0.089971 kg
Mineral mass = 0.00020705 kg
Fluid density = 1.001 g/cm3
compressibility = 4.825e-05 /bar
expansivity = 8.006e-05 /C
viscosity = 0.018 poise
Chlorinity = 0.019191 molal
Dissolved solids = 1095 mg/kg sol'n
Elect. conductivity = 2282.17 uS/cm (or umho/cm)
Hardness = 886.40 mg/kg sol'n as CaCO3
carbonate = 0.00 mg/kg sol'n as CaCO3
non-carbonate = 886.40 mg/kg sol'n as CaCO3
Carbonate alkalinity= 0.00 mg/kg sol'n as CaCO3
Water type = Mg-Cl
Bulk volume = 90.0 cm3
Fluid volume = 89.9 cm3
Mineral volume = 0.0608 cm3
Inert volume = 0.00 cm3
Porosity = 99.9 %
Permeability = 96.4 cm2
Mass reacted = 0.256 g
moles moles grams cm3 rxn rate
Reactants remaining reacted reacted reacted (molal/sec)
---------------------------------------------------------------------------------------------------------
Al2O3 0.01936 5.518e-05 0.005626 -- --
CH4(g) (fixed fug.) -0.0003392 -0.005442 -- --
CO2(aq) 0.1019 0.0002903 0.01278 -- --
CaO 0.02632 7.499e-05 0.004205 -- --
FeO 0.3928 0.001119 0.08041 0.01343 --
Formaldehyde(aq) 0.005973 1.702e-05 0.0005110 -- --
H2S(aq) 0.000 0.000 0.000 -- --
HCN(aq) 0.000 0.000 0.000 -- --
K2O 0.0009527 2.715e-06 0.0002557 0.0001096 --
Methanol(aq) 0.01119 3.190e-05 0.001022 -- --
MgO 0.4646 0.001324 0.05336 -- --
MnO 0.000 0.000 0.000 -- --
N2(g) 0.000 0.000 0.000 -- --
NH3(aq) 0.01580 4.501e-05 0.0007665 -- --
Na2O 0.01400 3.988e-05 0.002472 0.0009971 --
NiO 0.01976 5.630e-05 0.004205 -- --
P2O5 0.000 0.000 0.000 -- --
S 0.2189 0.0006238 0.02000 0.009676 --
SO2(g) 0.000 0.000 0.000 -- --
SO4-- 0.000 0.000 0.000 -- --
SiO2 0.4451 0.001268 0.07621 -- --
Minerals in system moles log moles grams volume (cm3)
-------------------------------------------------------------------------------------------
Annite 4.309e-06 -5.366 0.002206 0.0006649
Chrysotile 6.757e-07 -6.170 0.0001872 7.331e-05
Daphnite-7A 2.174e-05 -4.663 0.01551 0.004808
Minnesotaite 0.0001232 -3.909 0.05840 0.01822
Ni 5.630e-05 -4.249 0.003304 0.0003709
Pyrrhotite 0.0006238 -3.205 0.05484 0.01135
Saponite-Mg 0.0001896 -3.722 0.07260 0.02534
_____________ _____________
(total) 0.2070 0.06083
Aqueous species molality mg/kg sol'n act. coef. log act.
------------------------------------------------------------------------------------------
H2(aq) 0.07667 154.4 1.0000 -1.1154
Cl- 0.01911 676.7 0.8513 -1.7887
Mg++ 0.007952 193.1 0.5901 -2.3286
Na+ 0.0008857 20.34 0.8575 -3.1195
Ca++ 0.0008325 33.33 0.5650 -3.3276
NH4+ 0.0004693 8.456 0.8479 -3.4002
MgCl+ 7.944e-05 4.742 0.8575 -4.1667
Fe++ 4.530e-05 2.527 0.5650 -4.5919
NH3(aq) 3.149e-05 0.5357 1.0000 -4.5018
K+ 1.247e-05 0.4869 0.8513 -4.9741
CaCl+ 1.895e-06 0.1430 0.8575 -5.7892
NaCl(aq) 1.833e-06 0.1070 1.0000 -5.7368
OH- 1.247e-06 0.02118 0.8545 -5.9726
SiO2(aq) 6.378e-07 0.03828 1.0000 -6.1953
FeCl+ 3.419e-07 0.03118 0.8575 -6.5329
CaCl2(aq) 4.395e-08 0.004872 1.0000 -7.3570
HSiO3- 3.278e-08 0.002524 0.8575 -7.5512
HS- 1.142e-08 0.0003772 0.8545 -8.0107
(only species > 1e-8 molal listed)
Mineral saturation states log Q/K log Q/K
-----------------------------------------------------------------------------------------------
Antigorite 10.6281s/sat Saponite-H -1.4865
Heazlewoodite 3.7796s/sat Boehmite -1.4995
Daphnite-14A 3.6145s/sat Gibbsite -1.5128
Greenalite 2.5190s/sat Clinochlore-14A -1.5585
Ripidolite-14A 0.8309s/sat Quartz -1.5634
Troilite 0.1079s/sat Millerite -1.7574
Daphnite-7A 0.0000 sat Tridymite -1.7698
Ni 0.0000 sat Chalcedony -1.8594
Minnesotaite 0.0000 sat FeO -1.8849
Saponite-Mg 0.0000 sat Phlogopite -2.0021
Pyrrhotite 0.0000 sat Fe(OH)2 -2.0937
Chrysotile 0.0000 sat Cristobalite(alpha) -2.1740
Annite -0.0000 sat Cronstedtite-7A -2.1860
Ice -0.0470 Fe -2.2636
Saponite-Ca -0.1567 Chamosite-7A -2.3307
Saponite-Na -0.5901 Coesite -2.4430
Saponite-K -0.7811 Brucite -2.4840
Fayalite -0.9513 Cristobalite(beta) -2.6940
Diaspore -1.0513 Ripidolite-7A -2.7690
Talc -1.0736 Goethite -2.8459
Ferrosilite -1.1174 Wustite -2.9659
(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) 78.23 78.30 1.001 1.8937
H2O(g) 0.005489 0.005026 0.9156 -2.2988
NH3(g) 1.349e-07 1.333e-07 0.9882 -6.8751
H2S(g) 1.271e-09 1.259e-09 0.9900 -8.9001
HCl(g) 5.862e-19 5.862e-19 1.000* -18.2319
N2(g) 2.171e-27 2.170e-27 0.9995 -26.6635
CO2(g) 2.900e-33 2.880e-33 0.9932 -32.5406
C2H4(g) 1.882e-33 1.882e-33 1.000* -32.7253
CO(g) 7.987e-35 7.987e-35 1.000* -34.0976
S2(g) 1.111e-50 1.111e-50 1.000* -49.9542
SO2(g) 1.929e-56 1.888e-56 0.9786 -55.7240
Na(g) 7.057e-59 7.057e-59 1.000* -58.1514
K(g) 2.445e-61 2.445e-61 1.000* -60.6117
Cl2(g) 1.987e-75 1.987e-75 1.000* -74.7018
NO(g) 1.794e-78 1.794e-78 1.000* -77.7462
Mg(g) 2.685e-92 2.685e-92 1.000* -91.5710
O2(g) 8.521e-97 8.512e-97 0.9990 -96.0699
Ca(g) 7.467e-118 7.467e-118 1.000* -117.1269
NO2(g) 4.436e-119 4.436e-119 1.000* -118.3530
Al(g) 4.886e-140 4.886e-140 1.000* -139.3110
C(g) 1.113e-141 1.113e-141 1.000* -140.9534
Si(g) 4.400e-149 4.400e-149 1.000* -148.3566
*no data, gas taken to be ideal
In fluid Sorbed
Original basis total moles moles mg/kg moles mg/kg
-------------------------------------------------------------------------------------------------
H2O 4.997 4.996 1.000e+06
Al+++ 0.0001104 1.159e-10 3.476e-05
Ca++ 7.499e-05 7.499e-05 33.40
Cl- 0.001725 0.001725 679.6
Fe++ 0.001119 4.102e-06 2.546
H+ -0.002593 4.206e-05 0.4712
HCO3- 5.866e-15 5.866e-15 3.978e-09
HPO4-- 9.369e-13 9.369e-13 9.995e-07
K+ 5.430e-06 1.121e-06 0.4871
Mg++ 0.001324 0.0007218 195.0
Mn++ 1.637e-12 1.637e-12 9.995e-07
NH3(aq) 4.501e-05 4.501e-05 8.519
Na+ 7.977e-05 7.977e-05 20.38
Ni++ 5.630e-05 1.643e-12 1.072e-06
O2(aq) -0.004721 -0.003445 -1225.
SO4-- 0.0006238 1.051e-09 0.001122
SiO2(aq) 0.001268 6.042e-08 0.04035
In fluid Sorbed
Elemental composition total moles moles mg/kg moles mg/kg
-------------------------------------------------------------------------------------------------
Aluminum 0.0001104 1.159e-10 3.476e-05
Calcium 7.499e-05 7.499e-05 33.40
Carbon 5.866e-15 5.866e-15 7.831e-10
Chlorine 0.001725 0.001725 679.6
Hydrogen 9.992 9.991 1.119e+05
Iron 0.001119 4.102e-06 2.546
Magnesium 0.001324 0.0007218 195.0
Manganese 1.637e-12 1.637e-12 9.995e-07
Nickel 5.630e-05 1.643e-12 1.072e-06
Nitrogen 4.501e-05 4.501e-05 7.007
Oxygen 4.993 4.989 8.871e+05
Phosphorus 9.369e-13 9.369e-13 3.225e-07
Potassium 5.430e-06 1.121e-06 0.4871
Silicon 0.001268 6.042e-08 0.01886
Sodium 7.977e-05 7.977e-05 20.38
Sulfur 0.0006238 1.051e-09 0.0003745
Step # 50 Xi = 0.0098
Temperature = 0.0 C Pressure = 1.013 bar
pH = 9.101 log fO2 = -95.088
Eh = -0.5480 volts pe = -10.1113
Ionic strength = 0.026358 molal
Activity of water = 0.999338
Solvent mass = 0.089869 kg
Solution mass = 0.089964 kg
Mineral mass = 0.00084175 kg
Fluid density = 1.001 g/cm3
compressibility = 4.825e-05 /bar
expansivity = 8.006e-05 /C
viscosity = 0.018 poise
Chlorinity = 0.019192 molal
Dissolved solids = 1054 mg/kg sol'n
Elect. conductivity = 2316.81 uS/cm (or umho/cm)
Hardness = 724.56 mg/kg sol'n as CaCO3
carbonate = 0.00 mg/kg sol'n as CaCO3
non-carbonate = 724.56 mg/kg sol'n as CaCO3
Carbonate alkalinity= 0.00 mg/kg sol'n as CaCO3
Water type = Mg-Cl
Bulk volume = 90.2 cm3
Fluid volume = 89.9 cm3
Mineral volume = 0.271 cm3
Inert volume = 0.00 cm3
Porosity = 99.7 %
Permeability = 89.0 cm2
Mass reacted = 0.884 g
moles moles grams cm3 rxn rate
Reactants remaining reacted reacted reacted (molal/sec)
---------------------------------------------------------------------------------------------------------
Al2O3 0.01923 0.0001902 0.01939 -- --
CH4(g) (fixed fug.) -0.001169 -0.01875 -- --
CO2(aq) 0.1012 0.001000 0.04403 -- --
CaO 0.02613 0.0002584 0.01449 -- --
FeO 0.3900 0.003857 0.2771 0.04629 --
Formaldehyde(aq) 0.005931 5.865e-05 0.001761 -- --
H2S(aq) 0.000 0.000 0.000 -- --
HCN(aq) 0.000 0.000 0.000 -- --
K2O 0.0009461 9.356e-06 0.0008813 0.0003778 --
Methanol(aq) 0.01112 0.0001099 0.003522 -- --
MgO 0.4614 0.004563 0.1839 -- --
MnO 0.000 0.000 0.000 -- --
N2(g) 0.000 0.000 0.000 -- --
NH3(aq) 0.01569 0.0001551 0.002642 -- --
Na2O 0.01390 0.0001375 0.008519 0.003436 --
NiO 0.01962 0.0001940 0.01449 -- --
P2O5 0.000 0.000 0.000 -- --
S 0.2174 0.002150 0.06894 0.03335 --
SO2(g) 0.000 0.000 0.000 -- --
SO4-- 0.000 0.000 0.000 -- --
SiO2 0.4420 0.004371 0.2626 -- --
Minerals in system moles log moles grams volume (cm3)
-------------------------------------------------------------------------------------------
Annite 1.787e-05 -4.748 0.009150 0.002758
Chrysotile 0.001390 -2.857 0.3852 0.1508
Daphnite-7A 0.0001812 -3.742 0.1293 0.04009
Minnesotaite 0.0002484 -3.605 0.1177 0.03673
Ni 0.0001940 -3.712 0.01139 0.001278
Pyrrhotite 0.002150 -2.668 0.1890 0.03913
_____________ _____________
(total) 0.8417 0.2708
Aqueous species molality mg/kg sol'n act. coef. log act.
------------------------------------------------------------------------------------------
H2(aq) 0.02476 49.86 1.0000 -1.6062
Cl- 0.01913 677.7 0.8546 -1.7864
Mg++ 0.004327 105.1 0.5964 -2.5883
Na+ 0.003053 70.10 0.8606 -2.5805
Ca++ 0.002869 114.9 0.5720 -2.7849
NH4+ 0.001581 28.49 0.8514 -2.8709
NH3(aq) 0.0001448 2.463 1.0000 -3.8394
MgCl+ 4.377e-05 2.613 0.8606 -4.4241
Fe++ 2.498e-05 1.393 0.5720 -4.8450
K+ 9.314e-06 0.3638 0.8546 -5.0991
CaCl+ 6.623e-06 0.4997 0.8606 -5.2442
NaCl(aq) 6.374e-06 0.3721 1.0000 -5.1956
OH- 1.687e-06 0.02867 0.8577 -5.8395
SiO2(aq) 6.237e-07 0.03743 1.0000 -6.2050
FeCl+ 1.912e-07 0.01744 0.8606 -6.7837
CaCl2(aq) 1.550e-07 0.01718 1.0000 -6.8097
HSiO3- 4.339e-08 0.003341 0.8606 -7.4279
HS- 1.500e-08 0.0004955 0.8577 -7.8906
(only species > 1e-8 molal listed)
Mineral saturation states log Q/K log Q/K
-----------------------------------------------------------------------------------------------
Antigorite 10.6086s/sat Saponite-H -1.5086
Heazlewoodite 4.7354s/sat Boehmite -1.5173
Daphnite-14A 3.6145s/sat Gibbsite -1.5307
Greenalite 2.5385s/sat Quartz -1.5731
Ripidolite-14A 0.8114s/sat Clinochlore-14A -1.5910
Troilite 0.1079s/sat Cronstedtite-7A -1.6529
Daphnite-7A 0.0000 sat Tridymite -1.7795
Ni 0.0000 sat Chalcedony -1.8691
Minnesotaite 0.0000 sat FeO -1.8719
Chrysotile 0.0000 sat Phlogopite -2.0216
Pyrrhotite 0.0000 sat Fe(OH)2 -2.0808
Annite -0.0000 sat Cristobalite(alpha) -2.1837
Saponite-Mg -0.0211 Chamosite-7A -2.3502
Saponite-Ca -0.0454 Coesite -2.4527
Ice -0.0470 Brucite -2.4775
Saponite-Na -0.3905 Goethite -2.5874
Saponite-K -0.8006 Magnetite -2.6673
Fayalite -0.9351 Cristobalite(beta) -2.7037
Diaspore -1.0691 Fe -2.7415
Talc -1.0931 Ripidolite-7A -2.7885
Ferrosilite -1.1141 Wustite -2.9276
Millerite -1.2795
(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) 25.26 25.28 1.001 1.4029
H2O(g) 0.005489 0.005026 0.9156 -2.2988
NH3(g) 6.202e-07 6.128e-07 0.9882 -6.2127
H2S(g) 1.234e-09 1.221e-09 0.9900 -8.9131
HCl(g) 4.338e-19 4.338e-19 1.000* -18.3627
N2(g) 1.362e-24 1.361e-24 0.9995 -23.8660
CO2(g) 2.666e-31 2.648e-31 0.9932 -30.5771
C2H4(g) 1.805e-32 1.805e-32 1.000* -31.7435
CO(g) 2.372e-33 2.372e-33 1.000* -32.6249
S2(g) 1.004e-49 1.004e-49 1.000* -48.9984
SO2(g) 5.560e-55 5.441e-55 0.9786 -54.2643
Na(g) 1.885e-58 1.885e-58 1.000* -57.7248
K(g) 1.416e-61 1.416e-61 1.000* -60.8491
Cl2(g) 3.370e-75 3.370e-75 1.000* -74.4724
NO(g) 1.391e-76 1.391e-76 1.000* -75.8565
Mg(g) 8.803e-93 8.803e-93 1.000* -92.0554
O2(g) 8.171e-96 8.162e-96 0.9990 -95.0882
NO2(g) 1.065e-116 1.065e-116 1.000* -115.9725
Ca(g) 1.553e-117 1.553e-117 1.000* -116.8089
C(g) 1.068e-140 1.068e-140 1.000* -139.9716
Al(g) 8.606e-141 8.606e-141 1.000* -140.0652
Si(g) 4.487e-150 4.487e-150 1.000* -149.3481
*no data, gas taken to be ideal
In fluid Sorbed
Original basis total moles moles mg/kg moles mg/kg
-------------------------------------------------------------------------------------------------
H2O 5.001 4.991 9.994e+05
Al+++ 0.0003803 1.502e-10 4.504e-05
Ca++ 0.0002584 0.0002584 115.1
Cl- 0.001725 0.001725 679.7
Fe++ 0.003857 2.262e-06 1.404
H+ -0.01315 0.0001419 1.590
HCO3- 1.816e-14 1.816e-14 1.232e-08
HPO4-- 9.369e-13 9.369e-13 9.995e-07
K+ 1.871e-05 8.372e-07 0.3639
Mg++ 0.004563 0.0003928 106.1
Mn++ 1.637e-12 1.637e-12 9.995e-07
NH3(aq) 0.0001551 0.0001551 29.36
Na+ 0.0002749 0.0002749 70.25
Ni++ 0.0001940 2.741e-12 1.788e-06
O2(aq) -0.005509 -0.001113 -395.7
SO4-- 0.002150 1.372e-09 0.001465
SiO2(aq) 0.004371 6.066e-08 0.04051
In fluid Sorbed
Elemental composition total moles moles mg/kg moles mg/kg
-------------------------------------------------------------------------------------------------
Aluminum 0.0003803 1.502e-10 4.504e-05
Calcium 0.0002584 0.0002584 115.1
Carbon 1.816e-14 1.816e-14 2.425e-09
Chlorine 0.001725 0.001725 679.7
Hydrogen 9.990 9.982 1.118e+05
Iron 0.003857 2.262e-06 1.404
Magnesium 0.004563 0.0003928 106.1
Manganese 1.637e-12 1.637e-12 9.995e-07
Nickel 0.0001940 2.741e-12 1.788e-06
Nitrogen 0.0001551 0.0001551 24.15
Oxygen 5.007 4.989 8.872e+05
Phosphorus 9.369e-13 9.369e-13 3.226e-07
Potassium 1.871e-05 8.372e-07 0.3639
Silicon 0.004371 6.066e-08 0.01894
Sodium 0.0002749 0.0002749 70.25
Sulfur 0.002150 1.372e-09 0.0004890
Step # 57 Xi = 0.0098
Temperature = 0.0 C Pressure = 1.013 bar
pH = 9.229 log fO2 = -95.076
Eh = -0.5547 volts pe = -10.2360
Ionic strength = 0.026367 molal
Activity of water = 0.999338
Solvent mass = 0.089869 kg
Solution mass = 0.089964 kg
Mineral mass = 0.00084593 kg
Fluid density = 1.001 g/cm3
compressibility = 4.825e-05 /bar
expansivity = 8.006e-05 /C
viscosity = 0.018 poise
Chlorinity = 0.019192 molal
Dissolved solids = 1055 mg/kg sol'n
Elect. conductivity = 2315.73 uS/cm (or umho/cm)
Hardness = 723.45 mg/kg sol'n as CaCO3
carbonate = 0.00 mg/kg sol'n as CaCO3
non-carbonate = 723.45 mg/kg sol'n as CaCO3
Carbonate alkalinity= 0.00 mg/kg sol'n as CaCO3
Water type = Mg-Cl
Bulk volume = 90.2 cm3
Fluid volume = 89.9 cm3
Mineral volume = 0.272 cm3
Inert volume = 0.00 cm3
Porosity = 99.7 %
Permeability = 88.9 cm2
Mass reacted = 0.888 g
moles moles grams cm3 rxn rate
Reactants remaining reacted reacted reacted (molal/sec)
---------------------------------------------------------------------------------------------------------
Al2O3 0.01923 0.0001911 0.01948 -- --
CH4(g) (fixed fug.) -0.001175 -0.01884 -- --
CO2(aq) 0.1012 0.001005 0.04424 -- --
CaO 0.02613 0.0002597 0.01456 -- --
FeO 0.3900 0.003876 0.2785 0.04651 --
Formaldehyde(aq) 0.005931 5.894e-05 0.001770 -- --
H2S(aq) 0.000 0.000 0.000 -- --
HCN(aq) 0.000 0.000 0.000 -- --
K2O 0.0009461 9.402e-06 0.0008856 0.0003796 --
Methanol(aq) 0.01112 0.0001105 0.003539 -- --
MgO 0.4614 0.004585 0.1848 -- --
MnO 0.000 0.000 0.000 -- --
N2(g) 0.000 0.000 0.000 -- --
NH3(aq) 0.01568 0.0001559 0.002655 -- --
Na2O 0.01390 0.0001381 0.008561 0.003453 --
NiO 0.01962 0.0001950 0.01456 -- --
P2O5 0.000 0.000 0.000 -- --
S 0.2174 0.002160 0.06927 0.03351 --
SO2(g) 0.000 0.000 0.000 -- --
SO4-- 0.000 0.000 0.000 -- --
SiO2 0.4420 0.004392 0.2639 -- --
Minerals in system moles log moles grams volume (cm3)
-------------------------------------------------------------------------------------------
Annite 1.751e-05 -4.757 0.008963 0.002702
Chrysotile 0.001398 -2.854 0.3874 0.1517
Cronstedtite-7A 7.306e-09 -8.136 2.919e-06 1.101e-06
Daphnite-7A 0.0001823 -3.739 0.1301 0.04033
Minnesotaite 0.0002491 -3.604 0.1181 0.03684
Ni 0.0001950 -3.710 0.01144 0.001285
Pyrrhotite 0.002160 -2.665 0.1899 0.03932
_____________ _____________
(total) 0.8459 0.2722
Aqueous species molality mg/kg sol'n act. coef. log act.
------------------------------------------------------------------------------------------
H2(aq) 0.02440 49.14 1.0000 -1.6126
Cl- 0.01913 677.7 0.8546 -1.7864
Mg++ 0.004302 104.5 0.5963 -2.5908
Na+ 0.003068 70.45 0.8606 -2.5784
Ca++ 0.002883 115.4 0.5720 -2.7828
NH4+ 0.001545 27.83 0.8514 -2.8810
NH3(aq) 0.0001898 3.229 1.0000 -3.7216
Fe++ 4.450e-05 2.483 0.5720 -4.5942
MgCl+ 4.351e-05 2.597 0.8606 -4.4266
K+ 1.438e-05 0.5618 0.8546 -4.9104
CaCl+ 6.655e-06 0.5021 0.8606 -5.2421
NaCl(aq) 6.405e-06 0.3739 1.0000 -5.1935
OH- 2.265e-06 0.03849 0.8576 -5.7116
FeCl+ 3.406e-07 0.03107 0.8606 -6.5330
SiO2(aq) 2.600e-07 0.01560 1.0000 -6.5850
CaCl2(aq) 1.557e-07 0.01727 1.0000 -6.8076
HSiO3- 2.428e-08 0.001870 0.8606 -7.6799
(only species > 1e-8 molal listed)
Mineral saturation states log Q/K log Q/K
-----------------------------------------------------------------------------------------------
Antigorite 9.8486s/sat FeO -1.3652
Heazlewoodite 3.7347s/sat Saponite-K -1.5606
Daphnite-14A 3.6145s/sat Fe(OH)2 -1.5741
Greenalite 3.2985s/sat Diaspore -1.7658
Troilite 0.1079s/sat Millerite -1.7798
Ripidolite-14A 0.0514s/sat Talc -1.8531
Daphnite-7A 0.0000 sat Quartz -1.9531
Pyrrhotite 0.0000 sat Goethite -2.0776
Ni 0.0000 sat Tridymite -2.1595
Chrysotile 0.0000 sat Boehmite -2.2140
Minnesotaite 0.0000 sat Brucite -2.2242
Cronstedtite-7A 0.0000 sat Gibbsite -2.2274
Annite -0.0000 sat Fe -2.2412
Ice -0.0470 Chalcedony -2.2491
Fayalite -0.3018 Saponite-H -2.3731
Saponite-Mg -0.8438 Wustite -2.4475
Saponite-Ca -0.8673 Cristobalite(alpha) -2.5637
Ferrosilite -0.9875 Phlogopite -2.7816
Magnetite -1.1410 Coesite -2.8327
Saponite-Na -1.2121 Clinochlore-14A -2.8576
(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) 24.90 24.92 1.001 1.3965
H2O(g) 0.005489 0.005026 0.9156 -2.2988
NH3(g) 8.133e-07 8.036e-07 0.9882 -6.0949
H2S(g) 3.842e-10 3.804e-10 0.9900 -9.4198
HCl(g) 3.231e-19 3.231e-19 1.000* -18.4906
N2(g) 2.447e-24 2.446e-24 0.9995 -23.6116
CO2(g) 2.826e-31 2.807e-31 0.9932 -30.5518
C2H4(g) 1.858e-32 1.858e-32 1.000* -31.7309
CO(g) 2.477e-33 2.477e-33 1.000* -32.6060
S2(g) 1.002e-50 1.002e-50 1.000* -49.9991
SO2(g) 1.809e-55 1.770e-55 0.9786 -54.7521
Na(g) 2.524e-58 2.524e-58 1.000* -57.5979
K(g) 2.914e-61 2.914e-61 1.000* -60.5356
Cl2(g) 1.897e-75 1.897e-75 1.000* -74.7220
NO(g) 1.892e-76 1.892e-76 1.000* -75.7230
Mg(g) 1.555e-92 1.555e-92 1.000* -91.8084
O2(g) 8.412e-96 8.403e-96 0.9990 -95.0755
NO2(g) 1.470e-116 1.470e-116 1.000* -115.8326
Ca(g) 2.772e-117 2.772e-117 1.000* -116.5572
C(g) 1.099e-140 1.099e-140 1.000* -139.9590
Al(g) 1.693e-141 1.693e-141 1.000* -140.7713
Si(g) 1.817e-150 1.817e-150 1.000* -149.7407
*no data, gas taken to be ideal
In fluid Sorbed
Original basis total moles moles mg/kg moles mg/kg
-------------------------------------------------------------------------------------------------
H2O 5.001 4.991 9.994e+05
Al+++ 0.0003822 4.045e-11 1.213e-05
Ca++ 0.0002597 0.0002597 115.7
Cl- 0.001725 0.001725 679.7
Fe++ 0.003876 4.030e-06 2.502
H+ -0.01323 0.0001386 1.553
HCO3- 1.843e-14 1.843e-14 1.250e-08
HPO4-- 9.369e-13 9.369e-13 9.995e-07
K+ 1.880e-05 1.293e-06 0.5619
Mg++ 0.004585 0.0003906 105.5
Mn++ 1.637e-12 1.637e-12 9.995e-07
NH3(aq) 0.0001559 0.0001559 29.51
Na+ 0.0002763 0.0002763 70.59
Ni++ 0.0001950 1.551e-12 1.012e-06
O2(aq) -0.005515 -0.001097 -390.0
SO4-- 0.002160 5.710e-10 0.0006097
SiO2(aq) 0.004392 2.595e-08 0.01733
In fluid Sorbed
Elemental composition total moles moles mg/kg moles mg/kg
-------------------------------------------------------------------------------------------------
Aluminum 0.0003822 4.045e-11 1.213e-05
Calcium 0.0002597 0.0002597 115.7
Carbon 1.843e-14 1.843e-14 2.460e-09
Chlorine 0.001725 0.001725 679.7
Hydrogen 9.990 9.982 1.118e+05
Iron 0.003876 4.030e-06 2.502
Magnesium 0.004585 0.0003906 105.5
Manganese 1.637e-12 1.637e-12 9.995e-07
Nickel 0.0001950 1.551e-12 1.012e-06
Nitrogen 0.0001559 0.0001559 24.27
Oxygen 5.008 4.989 8.872e+05
Phosphorus 9.369e-13 9.369e-13 3.226e-07
Potassium 1.880e-05 1.293e-06 0.5619
Silicon 0.004392 2.595e-08 0.008101
Sodium 0.0002763 0.0002763 70.59
Sulfur 0.002160 5.710e-10 0.0002035
Step # 70 Xi = 0.0138
Temperature = 0.0 C Pressure = 1.013 bar
pH = 9.264 log fO2 = -87.753
Eh = -0.4574 volts pe = -8.4407
Ionic strength = 0.025447 molal
Activity of water = 0.999338
Solvent mass = 0.089876 kg
Solution mass = 0.089968 kg
Mineral mass = 0.0012027 kg
Fluid density = 1.001 g/cm3
compressibility = 4.825e-05 /bar
expansivity = 8.006e-05 /C
viscosity = 0.018 poise
Chlorinity = 0.019190 molal
Dissolved solids = 1026 mg/kg sol'n
Elect. conductivity = 2334.29 uS/cm (or umho/cm)
Hardness = 633.89 mg/kg sol'n as CaCO3
carbonate = 0.00 mg/kg sol'n as CaCO3
non-carbonate = 633.89 mg/kg sol'n as CaCO3
Carbonate alkalinity= 0.00 mg/kg sol'n as CaCO3
Water type = Mg-Cl
Bulk volume = 90.3 cm3
Fluid volume = 89.9 cm3
Mineral volume = 0.397 cm3
Inert volume = 0.00 cm3
Porosity = 99.6 %
Permeability = 84.8 cm2
Mass reacted = 1.25 g
moles moles grams cm3 rxn rate
Reactants remaining reacted reacted reacted (molal/sec)
---------------------------------------------------------------------------------------------------------
Al2O3 0.01915 0.0002687 0.02740 -- --
CH4(g) (fixed fug.) -0.001652 -0.02650 -- --
CO2(aq) 0.1007 0.001414 0.06222 -- --
CaO 0.02603 0.0003652 0.02048 -- --
FeO 0.3884 0.005451 0.3916 0.06541 --
Formaldehyde(aq) 0.005907 8.289e-05 0.002489 -- --
H2S(aq) 0.000 0.000 0.000 -- --
HCN(aq) 0.000 0.000 0.000 -- --
K2O 0.0009422 1.322e-05 0.001245 0.0005339 --
Methanol(aq) 0.01107 0.0001553 0.004978 -- --
MgO 0.4595 0.006448 0.2599 -- --
MnO 0.000 0.000 0.000 -- --
N2(g) 0.000 0.000 0.000 -- --
NH3(aq) 0.01562 0.0002192 0.003733 -- --
Na2O 0.01384 0.0001943 0.01204 0.004856 --
NiO 0.01954 0.0002742 0.02048 -- --
P2O5 0.000 0.000 0.000 -- --
S 0.2165 0.003038 0.09742 0.04713 --
SO2(g) 0.000 0.000 0.000 -- --
SO4-- 0.000 0.000 0.000 -- --
SiO2 0.4402 0.006177 0.3711 -- --
Minerals in system moles log moles grams volume (cm3)
-------------------------------------------------------------------------------------------
Annite 2.371e-05 -4.625 0.01214 0.003659
Chrysotile 0.001252 -2.903 0.3469 0.1358
Cronstedtite-7A 0.0004912 -3.309 0.1962 0.07405
Daphnite-7A 7.530e-05 -4.123 0.05373 0.01666
Gibbsite 0.0001037 -3.984 0.008087 0.003313
Ni 0.0002742 -3.562 0.01609 0.001806
Pyrrhotite 0.003038 -2.517 0.2671 0.05530
Saponite-Ca 0.0005561 -3.255 0.2144 0.07545
Saponite-Mg 0.0002302 -3.638 0.08814 0.03077
_____________ _____________
(total) 1.203 0.3968
Aqueous species molality mg/kg sol'n act. coef. log act.
------------------------------------------------------------------------------------------
Cl- 0.01914 677.9 0.8566 -1.7853
Na+ 0.004314 99.07 0.8624 -2.4295
Mg++ 0.003264 79.24 0.6001 -2.7080
Ca++ 0.003036 121.5 0.5763 -2.7571
NH4+ 0.002151 38.77 0.8535 -2.7361
NH3(aq) 0.0002876 4.892 1.0000 -3.5413
MgCl+ 3.323e-05 1.984 0.8624 -4.5427
K+ 3.043e-05 1.188 0.8566 -4.5839
NaCl(aq) 9.051e-06 0.5284 1.0000 -5.0433
CaCl+ 7.063e-06 0.5329 0.8624 -5.2153
H2(aq) 5.322e-06 0.01072 1.0000 -5.2739
Fe++ 4.381e-06 0.2444 0.5763 -5.5978
OH- 2.452e-06 0.04166 0.8596 -5.6762
SiO2(aq) 3.053e-07 0.01832 1.0000 -6.5153
CaCl2(aq) 1.661e-07 0.01841 1.0000 -6.7797
AlO2- 8.173e-08 0.004815 0.8624 -7.1519
Ni++ 6.588e-08 0.003862 0.5763 -7.4206
HS- 5.814e-08 0.001921 0.8596 -7.3012
FeCl+ 3.380e-08 0.003083 0.8624 -7.5353
HSiO3- 3.086e-08 0.002377 0.8624 -7.5748
(only species > 1e-8 molal listed)
Mineral saturation states log Q/K log Q/K
-----------------------------------------------------------------------------------------------
Heazlewoodite 12.9229s/sat Ni2SiO4 -0.5669
Polydymite 10.2320s/sat Vaesite -0.5877
Antigorite 9.9880s/sat Saponite-K -0.5898
Daphnite-14A 3.6145s/sat Pyrite -0.8769
Millerite 2.8143s/sat Ripidolite-7A -0.8896
Ripidolite-14A 2.7103s/sat Goethite -1.1797
Clinochlore-14A 1.5738s/sat Trevorite -1.4239
Greenalite 0.6396s/sat Hematite -1.4498
Diaspore 0.4616s/sat Saponite-H -1.5217
Troilite 0.1079s/sat Talc -1.7137
Boehmite 0.0134s/sat Ferrosilite -1.8505
Saponite-Mg 0.0000 sat Quartz -1.8834
Cronstedtite-7A 0.0000 sat Clinochlore-7A -2.0187
Saponite-Ca 0.0000 sat Tridymite -2.0898
Pyrrhotite 0.0000 sat Fayalite -2.0976
Gibbsite 0.0000 sat Mesolite -2.1458
Chrysotile 0.0000 sat Chalcedony -2.1794
Daphnite-7A 0.0000 sat Brucite -2.2706
Ni 0.0000 sat FeO -2.2980
Annite -0.0000 sat Cristobalite(alpha) -2.4940
Ice -0.0470 Fe(OH)2 -2.5069
Phlogopite -0.1227 Minnesotaite -2.5195
Amesite-14A -0.2295 Hercynite -2.6704
Magnetite -0.2779 Coesite -2.7630
Saponite-Na -0.2998 Bunsenite -2.9626
Chamosite-7A -0.4513
(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) 0.005430 0.005435 1.001 -2.2648
H2O(g) 0.005489 0.005026 0.9156 -2.2988
NH3(g) 1.232e-06 1.217e-06 0.9882 -5.9146
H2S(g) 3.291e-09 3.258e-09 0.9900 -8.4870
N2(g) 5.413e-13 5.410e-13 0.9995 -12.2668
CO2(g) 1.249e-16 1.241e-16 0.9932 -15.9064
HCl(g) 2.986e-19 2.986e-19 1.000* -18.5249
CO(g) 2.388e-22 2.388e-22 1.000* -21.6219
C2H4(g) 3.907e-25 3.907e-25 1.000* -24.4082
S2(g) 1.546e-41 1.546e-41 1.000* -40.8108
SO2(g) 1.493e-43 1.461e-43 0.9786 -42.8352
Na(g) 5.699e-60 5.699e-60 1.000* -59.2442
K(g) 9.899e-63 9.899e-63 1.000* -62.0044
NO(g) 4.081e-67 4.081e-67 1.000* -66.3893
Cl2(g) 7.429e-72 7.429e-72 1.000* -71.1291
O2(g) 1.768e-88 1.767e-88 0.9990 -87.7528
Mg(g) 3.047e-96 3.047e-96 1.000* -95.5162
NO2(g) 1.454e-103 1.454e-103 1.000* -102.8375
Ca(g) 7.548e-121 7.548e-121 1.000* -120.1222
C(g) 2.311e-133 2.311e-133 1.000* -132.6363
Al(g) 9.204e-145 9.204e-145 1.000* -144.0360
Si(g) 1.015e-157 1.015e-157 1.000* -156.9937
*no data, gas taken to be ideal
In fluid Sorbed
Original basis total moles moles mg/kg moles mg/kg
-------------------------------------------------------------------------------------------------
H2O 5.003 4.989 9.990e+05
Al+++ 0.0005375 7.390e-09 0.002216
Ca++ 0.0003652 0.0002735 121.8
Cl- 0.001725 0.001725 679.7
Fe++ 0.005451 3.968e-07 0.2463
H+ -0.01930 0.0001931 2.163
HCO3- 8.451e-11 8.451e-11 5.731e-05
HPO4-- 9.369e-13 9.369e-13 9.995e-07
K+ 2.644e-05 2.736e-06 1.189
Mg++ 0.006448 0.0002963 80.05
Mn++ 1.637e-12 1.637e-12 9.995e-07
NH3(aq) 0.0002192 0.0002192 41.49
Na+ 0.0003885 0.0003885 99.27
Ni++ 0.0002742 6.090e-09 0.003973
O2(aq) -0.005968 -2.499e-07 -0.08888
SO4-- 0.003038 5.290e-09 0.005648
SiO2(aq) 0.006177 3.093e-08 0.02066
In fluid Sorbed
Elemental composition total moles moles mg/kg moles mg/kg
-------------------------------------------------------------------------------------------------
Aluminum 0.0005375 7.390e-09 0.002216
Calcium 0.0003652 0.0002735 121.8
Carbon 8.451e-11 8.451e-11 1.128e-05
Chlorine 0.001725 0.001725 679.7
Hydrogen 9.988 9.979 1.118e+05
Iron 0.005451 3.968e-07 0.2463
Magnesium 0.006448 0.0002963 80.05
Manganese 1.637e-12 1.637e-12 9.995e-07
Nickel 0.0002742 6.090e-09 0.003973
Nitrogen 0.0002192 0.0002192 34.13
Oxygen 5.016 4.989 8.872e+05
Phosphorus 9.369e-13 9.369e-13 3.225e-07
Potassium 2.644e-05 2.736e-06 1.189
Silicon 0.006177 3.093e-08 0.009656
Sodium 0.0003885 0.0003885 99.27
Sulfur 0.003038 5.290e-09 0.001885
Step # 71 Xi = 0.0148
Temperature = 0.0 C Pressure = 1.013 bar
pH = 9.276 log fO2 = -83.088
Eh = -0.3949 volts pe = -7.2869
Ionic strength = 0.025094 molal
Activity of water = 0.999338
Solvent mass = 0.089897 kg
Solution mass = 0.089990 kg
Mineral mass = 0.0012707 kg
Fluid density = 1.001 g/cm3
compressibility = 4.825e-05 /bar
expansivity = 8.006e-05 /C
viscosity = 0.018 poise
Chlorinity = 0.019186 molal
Dissolved solids = 1036 mg/kg sol'n
Elect. conductivity = 2347.38 uS/cm (or umho/cm)
Hardness = 597.77 mg/kg sol'n as CaCO3
carbonate = 0.83 mg/kg sol'n as CaCO3
non-carbonate = 596.94 mg/kg sol'n as CaCO3
Carbonate alkalinity= 0.83 mg/kg sol'n as CaCO3
Water type = Mg-Cl
Bulk volume = 90.3 cm3
Fluid volume = 89.9 cm3
Mineral volume = 0.380 cm3
Inert volume = 0.00 cm3
Porosity = 99.6 %
Permeability = 85.4 cm2
Mass reacted = 1.34 g
moles moles grams cm3 rxn rate
Reactants remaining reacted reacted reacted (molal/sec)
---------------------------------------------------------------------------------------------------------
Al2O3 0.01913 0.0002882 0.02938 -- --
CH4(g) (fixed fug.) -0.001770 -0.02839 -- --
CO2(aq) 0.1006 0.001516 0.06672 -- --
CaO 0.02600 0.0003916 0.02196 -- --
FeO 0.3881 0.005845 0.4199 0.07014 --
Formaldehyde(aq) 0.005901 8.888e-05 0.002669 -- --
H2S(aq) 0.000 0.000 0.000 -- --
HCN(aq) 0.000 0.000 0.000 -- --
K2O 0.0009413 1.418e-05 0.001335 0.0005725 --
Methanol(aq) 0.01106 0.0001666 0.005337 -- --
MgO 0.4590 0.006914 0.2787 -- --
MnO 0.000 0.000 0.000 -- --
N2(g) 0.000 0.000 0.000 -- --
NH3(aq) 0.01561 0.0002350 0.004003 -- --
Na2O 0.01383 0.0002083 0.01291 0.005207 --
NiO 0.01952 0.0002940 0.02196 -- --
P2O5 0.000 0.000 0.000 -- --
S 0.2163 0.003258 0.1045 0.05053 --
SO2(g) 0.000 0.000 0.000 -- --
SO4-- 0.000 0.000 0.000 -- --
SiO2 0.4397 0.006623 0.3980 -- --
Minerals in system moles log moles grams volume (cm3)
-------------------------------------------------------------------------------------------
Chrysotile 0.0009276 -3.033 0.2571 0.1006
Gibbsite 0.0001608 -3.794 0.01254 0.005137
Magnetite 0.0008623 -3.064 0.1997 0.03839
Ni2SiO4 0.0001470 -3.833 0.03079 0.006264
Pyrrhotite 0.003258 -2.487 0.2864 0.05929
Saponite-Ca 0.0008103 -3.091 0.3124 0.1099
Saponite-Mg 0.0004489 -3.348 0.1719 0.06000
_____________ _____________
(total) 1.271 0.3797
Aqueous species molality mg/kg sol'n act. coef. log act.
------------------------------------------------------------------------------------------
Cl- 0.01914 677.8 0.8574 -1.7849
Na+ 0.004624 106.2 0.8631 -2.3989
Mg++ 0.003077 74.71 0.6016 -2.7325
Ca++ 0.002861 114.5 0.5780 -2.7816
NH4+ 0.002298 41.41 0.8543 -2.7070
NH3(aq) 0.0003163 5.381 1.0000 -3.4999
K+ 0.0003153 12.32 0.8574 -3.5681
MgCl+ 3.141e-05 1.875 0.8631 -4.5669
HCO3- 1.218e-05 0.7423 0.8631 -4.9783
NaCl(aq) 9.718e-06 0.5673 1.0000 -5.0124
CaCl+ 6.676e-06 0.5037 0.8631 -5.2394
OH- 2.520e-06 0.04281 0.8603 -5.6640
CaCO3(aq) 1.033e-06 0.1033 1.0000 -5.9859
Fe++ 8.533e-07 0.04761 0.5780 -6.3070
CO3-- 8.449e-07 0.05065 0.5583 -6.3263
MgCO3(aq) 6.689e-07 0.05634 1.0000 -6.1746
SiO2(aq) 3.053e-07 0.01832 1.0000 -6.5153
HS- 2.891e-07 0.009553 0.8603 -6.6042
MgHCO3+ 2.710e-07 0.02309 0.8631 -6.6310
CaHCO3+ 2.507e-07 0.02532 0.8631 -6.6648
CaCl2(aq) 1.572e-07 0.01743 1.0000 -6.8035
Ni++ 1.192e-07 0.006991 0.5780 -7.1617
Ethane(aq) 1.010e-07 0.003034 1.0000 -6.9956
NaHCO3(aq) 9.912e-08 0.008318 1.0000 -7.0038
KCl(aq) 8.656e-08 0.006446 1.0000 -7.0627
AlO2- 8.399e-08 0.004949 0.8631 -7.1397
HSiO3- 3.172e-08 0.002443 0.8631 -7.5626
H2(aq) 2.477e-08 4.988e-05 1.0000 -7.6061
CO2(aq) 2.120e-08 0.0009318 1.0000 -7.6738
NaCO3- 1.405e-08 0.001165 0.8631 -7.9161
(only species > 1e-8 molal listed)
Mineral saturation states log Q/K log Q/K
-----------------------------------------------------------------------------------------------
Polydymite 16.1535s/sat Hematite -0.4872
Heazlewoodite 12.8106s/sat Goethite -0.6984
Antigorite 9.9880s/sat Calcite -0.7095
Millerite 3.7825s/sat Aragonite -0.8553
Vaesite 3.3974s/sat Annite -1.0262
Pyrite 2.1401s/sat Magnesite -1.4081
Clinochlore-14A 1.5738s/sat Greenalite -1.4147
Ripidolite-14A 1.3408s/sat Monohydrocalcite -1.4954
C 1.1152s/sat Saponite-H -1.5217
Phlogopite 0.9054s/sat Talc -1.7137
Diaspore 0.4616s/sat Chamosite-7A -1.8208
Daphnite-14A 0.1907s/sat Quartz -1.8834
Troilite 0.1079s/sat Clinochlore-7A -2.0187
Boehmite 0.0134s/sat Ni -2.0487
Magnetite 0.0000 sat Dolomite-dis -2.0654
Saponite-Ca 0.0000 sat Tridymite -2.0898
Chrysotile 0.0000 sat Mesolite -2.1169
Pyrrhotite 0.0000 sat Chalcedony -2.1794
Gibbsite 0.0000 sat Ripidolite-7A -2.2591
Saponite-Mg 0.0000 sat Brucite -2.2706
Ni2SiO4 0.0000 sat Siderite -2.3006
Ice -0.0470 Cristobalite(alpha) -2.4940
Trevorite -0.1778 Ferrosilite -2.5353
Amesite-14A -0.2295 Bunsenite -2.6791
Saponite-K -0.2505 Coesite -2.7630
Saponite-Na -0.2857 Muscovite -2.8305
Dolomite-ord -0.3247 Ni(OH)2 -2.9107
Dolomite -0.3248 FeO -2.9827
Cronstedtite-7A -0.4068
(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
H2(g) 2.527e-05 2.529e-05 1.001 -4.5970
N2(g) 6.496e-06 6.493e-06 0.9995 -5.1876
NH3(g) 1.355e-06 1.339e-06 0.9882 -5.8732
CO2(g) 2.662e-07 2.644e-07 0.9932 -6.5777
H2S(g) 1.593e-08 1.577e-08 0.9900 -7.8022
CO(g) 2.369e-15 2.369e-15 1.000* -14.6254
HCl(g) 2.906e-19 2.906e-19 1.000* -18.5368
C2H4(g) 1.804e-20 1.804e-20 1.000* -19.7438
S2(g) 1.671e-35 1.671e-35 1.000* -34.7769
SO2(g) 7.169e-36 7.016e-36 0.9786 -35.1539
Na(g) 4.290e-61 4.290e-61 1.000* -60.3675
NO(g) 3.038e-61 3.038e-61 1.000* -60.5175
K(g) 7.205e-63 7.205e-63 1.000* -62.1424
Cl2(g) 1.511e-69 1.511e-69 1.000* -68.8207
O2(g) 8.165e-84 8.157e-84 0.9990 -83.0885
NO2(g) 2.325e-95 2.325e-95 1.000* -94.6336
Mg(g) 1.418e-98 1.418e-98 1.000* -97.8484
Ca(g) 3.513e-123 3.513e-123 1.000* -122.4544
C(g) 1.067e-128 1.067e-128 1.000* -127.9719
Al(g) 2.922e-148 2.922e-148 1.000* -147.5343
Si(g) 2.198e-162 2.198e-162 1.000* -161.6581
*no data, gas taken to be ideal
In fluid Sorbed
Original basis total moles moles mg/kg moles mg/kg
-------------------------------------------------------------------------------------------------
H2O 5.004 4.990 9.990e+05
Al+++ 0.0005763 7.596e-09 0.002277
Ca++ 0.0003916 0.0002579 114.9
Cl- 0.001725 0.001725 679.5
Fe++ 0.005845 7.730e-08 0.04797
H+ -0.02082 0.0002062 2.309
HCO3- 1.402e-06 1.402e-06 0.9507
HPO4-- 9.369e-13 9.369e-13 9.992e-07
K+ 2.835e-05 2.835e-05 12.32
Mg++ 0.006914 0.0002795 75.50
Mn++ 1.637e-12 1.637e-12 9.992e-07
NH3(aq) 0.0002350 0.0002350 44.48
Na+ 0.0004166 0.0004166 106.4
Ni++ 0.0002940 1.109e-08 0.007232
O2(aq) -0.006084 -8.576e-08 -0.03049
SO4-- 0.003258 2.630e-08 0.02808
SiO2(aq) 0.006623 3.109e-08 0.02076
In fluid Sorbed
Elemental composition total moles moles mg/kg moles mg/kg
-------------------------------------------------------------------------------------------------
Aluminum 0.0005763 7.596e-09 0.002277
Calcium 0.0003916 0.0002579 114.9
Carbon 1.402e-06 1.402e-06 0.1871
Chlorine 0.001725 0.001725 679.5
Hydrogen 9.988 9.981 1.118e+05
Iron 0.005845 7.730e-08 0.04797
Magnesium 0.006914 0.0002795 75.50
Manganese 1.637e-12 1.637e-12 9.992e-07
Nickel 0.0002940 1.109e-08 0.007232
Nitrogen 0.0002350 0.0002350 36.58
Oxygen 5.018 4.990 8.872e+05
Phosphorus 9.369e-13 9.369e-13 3.225e-07
Potassium 2.835e-05 2.835e-05 12.32
Silicon 0.006623 3.109e-08 0.009703
Sodium 0.0004166 0.0004166 106.4
Sulfur 0.003258 2.630e-08 0.009373
Step # 72 Xi = 0.0158
Temperature = 0.0 C Pressure = 1.013 bar
pH = 9.285 log fO2 = -83.007
Eh = -0.3943 volts pe = -7.2750
Ionic strength = 0.024866 molal
Activity of water = 0.999338
Solvent mass = 0.089897 kg
Solution mass = 0.089990 kg
Mineral mass = 0.0013634 kg
Fluid density = 1.001 g/cm3
compressibility = 4.825e-05 /bar
expansivity = 8.006e-05 /C
viscosity = 0.018 poise
Chlorinity = 0.019186 molal
Dissolved solids = 1041 mg/kg sol'n
Elect. conductivity = 2352.62 uS/cm (or umho/cm)
Hardness = 574.09 mg/kg sol'n as CaCO3
carbonate = 1.22 mg/kg sol'n as CaCO3
non-carbonate = 572.86 mg/kg sol'n as CaCO3
Carbonate alkalinity= 1.22 mg/kg sol'n as CaCO3
Water type = Mg-Cl
Bulk volume = 90.3 cm3
Fluid volume = 89.9 cm3
Mineral volume = 0.407 cm3
Inert volume = 0.00 cm3
Porosity = 99.5 %
Permeability = 84.5 cm2
Mass reacted = 1.43 g
moles moles grams cm3 rxn rate
Reactants remaining reacted reacted reacted (molal/sec)
---------------------------------------------------------------------------------------------------------
Al2O3 0.01911 0.0003076 0.03136 -- --
CH4(g) (fixed fug.) -0.001741 -0.02793 -- --
CO2(aq) 0.1005 0.001618 0.07121 -- --
CaO 0.02597 0.0004180 0.02344 -- --
FeO 0.3877 0.006239 0.4482 0.07486 --
Formaldehyde(aq) 0.005895 9.487e-05 0.002848 -- --
H2S(aq) 0.000 0.000 0.000 -- --
HCN(aq) 0.000 0.000 0.000 -- --
K2O 0.0009403 1.513e-05 0.001425 0.0006111 --
Methanol(aq) 0.01105 0.0001778 0.005697 -- --
MgO 0.4586 0.007380 0.2974 -- --
MnO 0.000 0.000 0.000 -- --
N2(g) 0.000 0.000 0.000 -- --
NH3(aq) 0.01559 0.0002509 0.004273 -- --
Na2O 0.01381 0.0002223 0.01378 0.005558 --
NiO 0.01950 0.0003138 0.02344 -- --
P2O5 0.000 0.000 0.000 -- --
S 0.2161 0.003477 0.1115 0.05394 --
SO2(g) 0.000 0.000 0.000 -- --
SO4-- 0.000 0.000 0.000 -- --
SiO2 0.4393 0.007070 0.4248 -- --
Minerals in system moles log moles grams volume (cm3)
-------------------------------------------------------------------------------------------
Chrysotile 0.0009195 -3.036 0.2548 0.09976
Dolomite-ord 7.383e-05 -4.132 0.01361 0.004750
Gibbsite 0.0001589 -3.799 0.01239 0.005077
Magnetite 0.0009205 -3.036 0.2131 0.04098
Ni2SiO4 0.0001569 -3.804 0.03287 0.006686
Pyrrhotite 0.003477 -2.459 0.3057 0.06329
Saponite-Ca 0.0005849 -3.233 0.2255 0.07936
Saponite-Mg 0.0007977 -3.098 0.3054 0.1066
_____________ _____________
(total) 1.363 0.4065
Aqueous species molality mg/kg sol'n act. coef. log act.
------------------------------------------------------------------------------------------
Cl- 0.01914 677.8 0.8579 -1.7847
Na+ 0.004936 113.4 0.8636 -2.3703
Mg++ 0.002955 71.75 0.6026 -2.7494
Ca++ 0.002747 110.0 0.5790 -2.7985
NH4+ 0.002447 44.10 0.8549 -2.6794
NH3(aq) 0.0003436 5.845 1.0000 -3.4640
K+ 0.0003366 13.15 0.8579 -3.5395
MgCl+ 3.022e-05 1.804 0.8636 -4.5834
HCO3- 1.804e-05 1.099 0.8636 -4.8075
NaCl(aq) 1.038e-05 0.6063 1.0000 -4.9836
CaCl+ 6.422e-06 0.4845 0.8636 -5.2560
OH- 2.568e-06 0.04363 0.8608 -5.6555
CaCO3(aq) 1.501e-06 0.1501 1.0000 -5.8235
CO3-- 1.274e-06 0.07636 0.5595 -6.1471
MgCO3(aq) 9.722e-07 0.08188 1.0000 -6.0123
Fe++ 7.941e-07 0.04430 0.5790 -6.3374
MgHCO3+ 3.860e-07 0.03290 0.8636 -6.4771
CaHCO3+ 3.571e-07 0.03606 0.8636 -6.5109
SiO2(aq) 3.053e-07 0.01832 1.0000 -6.5153
HS- 3.040e-07 0.01004 0.8608 -6.5823
NaHCO3(aq) 1.569e-07 0.01316 1.0000 -6.8045
CaCl2(aq) 1.514e-07 0.01679 1.0000 -6.8198
Ni++ 1.145e-07 0.006712 0.5790 -7.1786
Ethane(aq) 1.109e-07 0.003332 1.0000 -6.9550
KCl(aq) 9.251e-08 0.006889 1.0000 -7.0338
AlO2- 8.559e-08 0.005043 0.8636 -7.1312
HSiO3- 3.232e-08 0.002489 0.8636 -7.5542
CO2(aq) 3.080e-08 0.001354 1.0000 -7.5114
NaCO3- 2.267e-08 0.001879 0.8636 -7.7083
H2(aq) 2.256e-08 4.543e-05 1.0000 -7.6467
N2(aq) 1.079e-08 0.0003020 1.0000 -7.9669
(only species > 1e-8 molal listed)
Mineral saturation states log Q/K log Q/K
-----------------------------------------------------------------------------------------------
Polydymite 16.2482s/sat Hematite -0.4736
Heazlewoodite 12.7970s/sat Calcite -0.5471
Antigorite 9.9880s/sat Goethite -0.6916
Millerite 3.7960s/sat Aragonite -0.6929
Vaesite 3.4650s/sat Annite -1.0297
Pyrite 2.1942s/sat Magnesite -1.2458
Clinochlore-14A 1.5738s/sat Monohydrocalcite -1.3330
Ripidolite-14A 1.3137s/sat Greenalite -1.4553
C 1.1964s/sat Saponite-H -1.5217
Phlogopite 0.9424s/sat Talc -1.7137
Diaspore 0.4616s/sat Dolomite-dis -1.7407
Daphnite-14A 0.1231s/sat Chamosite-7A -1.8479
Troilite 0.1079s/sat Quartz -1.8834
Boehmite 0.0134s/sat Clinochlore-7A -2.0187
Ni2SiO4 0.0000 sat Ni -2.0893
Gibbsite 0.0000 sat Tridymite -2.0898
Magnetite 0.0000 sat Mesolite -2.0919
Chrysotile 0.0000 sat Siderite -2.1518
Pyrrhotite 0.0000 sat Chalcedony -2.1794
Dolomite-ord 0.0000 sat Brucite -2.2706
Saponite-Ca 0.0000 sat Ripidolite-7A -2.2862
Saponite-Mg 0.0000 sat Cristobalite(alpha) -2.4940
Dolomite -0.0001 Ferrosilite -2.5488
Ice -0.0470 Bunsenite -2.6791
Trevorite -0.1643 Coesite -2.7630
Amesite-14A -0.2295 Muscovite -2.7935
Saponite-K -0.2383 Ni(OH)2 -2.9107
Saponite-Na -0.2735 FeO -2.9963
Cronstedtite-7A -0.4204
(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
H2(g) 2.302e-05 2.304e-05 1.001 -4.6376
N2(g) 1.015e-05 1.014e-05 0.9995 -4.9939
NH3(g) 1.472e-06 1.455e-06 0.9882 -5.8373
CO2(g) 3.869e-07 3.843e-07 0.9932 -6.4153
H2S(g) 1.643e-08 1.627e-08 0.9900 -7.7887
CO(g) 3.136e-15 3.136e-15 1.000* -14.5036
HCl(g) 2.852e-19 2.852e-19 1.000* -18.5449
C2H4(g) 2.175e-20 2.175e-20 1.000* -19.6626
S2(g) 2.144e-35 2.144e-35 1.000* -34.6687
SO2(g) 9.790e-36 9.580e-36 0.9786 -35.0186
Na(g) 4.458e-61 4.458e-61 1.000* -60.3508
NO(g) 4.168e-61 4.168e-61 1.000* -60.3800
K(g) 7.488e-63 7.488e-63 1.000* -62.1257
Cl2(g) 1.598e-69 1.598e-69 1.000* -68.7964
O2(g) 9.843e-84 9.834e-84 0.9990 -83.0073
NO2(g) 3.503e-95 3.503e-95 1.000* -94.4555
Mg(g) 1.291e-98 1.291e-98 1.000* -97.8890
Ca(g) 3.199e-123 3.199e-123 1.000* -122.4949
C(g) 1.286e-128 1.286e-128 1.000* -127.8907
Al(g) 2.540e-148 2.540e-148 1.000* -147.5952
Si(g) 1.823e-162 1.823e-162 1.000* -161.7392
*no data, gas taken to be ideal
In fluid Sorbed
Original basis total moles moles mg/kg moles mg/kg
-------------------------------------------------------------------------------------------------
H2O 5.005 4.990 9.990e+05
Al+++ 0.0006151 7.740e-09 0.002321
Ca++ 0.0004180 0.0002477 110.3
Cl- 0.001725 0.001725 679.5
Fe++ 0.006239 7.194e-08 0.04465
H+ -0.02219 0.0002194 2.458
HCO3- 0.0001497 2.066e-06 1.401
HPO4-- 9.369e-13 9.369e-13 9.992e-07
K+ 3.027e-05 3.027e-05 13.15
Mg++ 0.007380 0.0002685 72.51
Mn++ 1.637e-12 1.637e-12 9.992e-07
NH3(aq) 0.0002509 0.0002509 47.48
Na+ 0.0004446 0.0004446 113.6
Ni++ 0.0003138 1.071e-08 0.006983
O2(aq) -0.006494 -9.149e-08 -0.03253
SO4-- 0.003477 2.765e-08 0.02951
SiO2(aq) 0.007070 3.122e-08 0.02084
In fluid Sorbed
Elemental composition total moles moles mg/kg moles mg/kg
-------------------------------------------------------------------------------------------------
Aluminum 0.0006151 7.740e-09 0.002321
Calcium 0.0004180 0.0002477 110.3
Carbon 0.0001497 2.066e-06 0.2757
Chlorine 0.001725 0.001725 679.5
Hydrogen 9.988 9.981 1.118e+05
Iron 0.006239 7.194e-08 0.04465
Magnesium 0.007380 0.0002685 72.51
Manganese 1.637e-12 1.637e-12 9.992e-07
Nickel 0.0003138 1.071e-08 0.006983
Nitrogen 0.0002509 0.0002509 39.05
Oxygen 5.020 4.990 8.872e+05
Phosphorus 9.369e-13 9.369e-13 3.225e-07
Potassium 3.027e-05 3.027e-05 13.15
Silicon 0.007070 3.122e-08 0.009742
Sodium 0.0004446 0.0004446 113.6
Sulfur 0.003477 2.765e-08 0.009851
Step # 75 Xi = 0.0184
Temperature = 0.0 C Pressure = 1.013 bar
pH = 9.308 log fO2 = -83.007
Eh = -0.3956 volts pe = -7.2988
Ionic strength = 0.024254 molal
Activity of water = 0.999338
Solvent mass = 0.089895 kg
Solution mass = 0.089990 kg
Mineral mass = 0.0016029 kg
Fluid density = 1.001 g/cm3
compressibility = 4.825e-05 /bar
expansivity = 8.006e-05 /C
viscosity = 0.018 poise
Chlorinity = 0.019186 molal
Dissolved solids = 1050 mg/kg sol'n
Elect. conductivity = 2364.73 uS/cm (or umho/cm)
Hardness = 512.16 mg/kg sol'n as CaCO3
carbonate = 1.29 mg/kg sol'n as CaCO3
non-carbonate = 510.87 mg/kg sol'n as CaCO3
Carbonate alkalinity= 1.29 mg/kg sol'n as CaCO3
Water type = Na-Cl
Bulk volume = 90.4 cm3
Fluid volume = 89.9 cm3
Mineral volume = 0.476 cm3
Inert volume = 0.00 cm3
Porosity = 99.5 %
Permeability = 82.3 cm2
Mass reacted = 1.67 g
moles moles grams cm3 rxn rate
Reactants remaining reacted reacted reacted (molal/sec)
---------------------------------------------------------------------------------------------------------
Al2O3 0.01906 0.0003577 0.03647 -- --
CH4(g) (fixed fug.) -0.001666 -0.02673 -- --
CO2(aq) 0.1003 0.001882 0.08282 -- --
CaO 0.02591 0.0004862 0.02726 -- --
FeO 0.3866 0.007256 0.5213 0.08707 --
Formaldehyde(aq) 0.005879 0.0001103 0.003313 -- --
H2S(aq) 0.000 0.000 0.000 -- --
HCN(aq) 0.000 0.000 0.000 -- --
K2O 0.0009379 1.760e-05 0.001658 0.0007107 --
Methanol(aq) 0.01102 0.0002068 0.006626 -- --
MgO 0.4574 0.008583 0.3460 -- --
MnO 0.000 0.000 0.000 -- --
N2(g) 0.000 0.000 0.000 -- --
NH3(aq) 0.01555 0.0002918 0.004969 -- --
Na2O 0.01378 0.0002586 0.01603 0.006465 --
NiO 0.01945 0.0003650 0.02726 -- --
P2O5 0.000 0.000 0.000 -- --
S 0.2155 0.004044 0.1297 0.06273 --
SO2(g) 0.000 0.000 0.000 -- --
SO4-- 0.000 0.000 0.000 -- --
SiO2 0.4382 0.008223 0.4941 -- --
Minerals in system moles log moles grams volume (cm3)
-------------------------------------------------------------------------------------------
Chrysotile 0.0008976 -3.047 0.2487 0.09739
Dolomite-ord 0.0002653 -3.576 0.04893 0.01707
Gibbsite 0.0001539 -3.813 0.01201 0.004918
Magnetite 0.001071 -2.970 0.2479 0.04767
Ni2SiO4 0.0001825 -3.739 0.03823 0.007777
Pyrrhotite 0.004044 -2.393 0.3555 0.07361
Saponite-Mg 0.001702 -2.769 0.6516 0.2274
_____________ _____________
(total) 1.603 0.4759
Aqueous species molality mg/kg sol'n act. coef. log act.
------------------------------------------------------------------------------------------
Cl- 0.01914 677.9 0.8593 -1.7839
Na+ 0.005741 131.8 0.8649 -2.3041
NH4+ 0.002826 50.93 0.8563 -2.6162
Mg++ 0.002637 64.03 0.6053 -2.7969
Ca++ 0.002449 98.05 0.5820 -2.8460
NH3(aq) 0.0004198 7.142 1.0000 -3.3770
K+ 0.0003915 15.29 0.8593 -3.4732
MgCl+ 2.709e-05 1.617 0.8649 -4.6302
HCO3- 1.902e-05 1.160 0.8649 -4.7837
NaCl(aq) 1.212e-05 0.7074 1.0000 -4.9166
CaCl+ 5.757e-06 0.4344 0.8649 -5.3028
OH- 2.708e-06 0.04601 0.8621 -5.6318
CaCO3(aq) 1.501e-06 0.1501 1.0000 -5.8236
CO3-- 1.413e-06 0.08470 0.5628 -6.0995
MgCO3(aq) 9.722e-07 0.08189 1.0000 -6.0122
Fe++ 7.082e-07 0.03951 0.5820 -6.3849
MgHCO3+ 3.649e-07 0.03110 0.8649 -6.5008
CaHCO3+ 3.376e-07 0.03409 0.8649 -6.5347
HS- 3.206e-07 0.01059 0.8621 -6.5585
SiO2(aq) 3.053e-07 0.01832 1.0000 -6.5153
NaHCO3(aq) 1.930e-07 0.01620 1.0000 -6.7144
CaCl2(aq) 1.362e-07 0.01510 1.0000 -6.8659
Ethane(aq) 1.109e-07 0.003332 1.0000 -6.9550
KCl(aq) 1.080e-07 0.008040 1.0000 -6.9668
Ni++ 1.021e-07 0.005985 0.5820 -7.2261
AlO2- 9.027e-08 0.005319 0.8649 -7.1075
HSiO3- 3.409e-08 0.002625 0.8649 -7.5304
CO2(aq) 3.081e-08 0.001354 1.0000 -7.5114
NaCO3- 2.941e-08 0.002439 0.8649 -7.5945
H2(aq) 2.256e-08 4.542e-05 1.0000 -7.6467
N2(aq) 1.611e-08 0.0004509 1.0000 -7.7928
NaHSiO3(aq) 1.188e-08 0.001188 1.0000 -7.9252
(only species > 1e-8 molal listed)
Mineral saturation states log Q/K log Q/K
-----------------------------------------------------------------------------------------------
Polydymite 16.2482s/sat Hematite -0.4736
Heazlewoodite 12.7970s/sat Calcite -0.5472
Antigorite 9.9880s/sat Goethite -0.6916
Millerite 3.7960s/sat Aragonite -0.6930
Vaesite 3.4650s/sat Annite -0.9397
Pyrite 2.1942s/sat Magnesite -1.2457
Clinochlore-14A 1.5738s/sat Monohydrocalcite -1.3331
Ripidolite-14A 1.3137s/sat Greenalite -1.4553
C 1.1964s/sat Saponite-H -1.5217
Phlogopite 1.0325s/sat Talc -1.7137
Diaspore 0.4616s/sat Dolomite-dis -1.7407
Daphnite-14A 0.1231s/sat Chamosite-7A -1.8479
Troilite 0.1079s/sat Quartz -1.8834
Boehmite 0.0134s/sat Clinochlore-7A -2.0187
Ni2SiO4 0.0000 sat Mesolite -2.0311
Gibbsite 0.0000 sat Ni -2.0893
Magnetite 0.0000 sat Tridymite -2.0898
Chrysotile 0.0000 sat Siderite -2.1517
Pyrrhotite 0.0000 sat Chalcedony -2.1794
Dolomite-ord 0.0000 sat Brucite -2.2706
Saponite-Mg 0.0000 sat Ripidolite-7A -2.2862
Saponite-Ca -0.0000 Cristobalite(alpha) -2.4940
Dolomite -0.0001 Ferrosilite -2.5488
Ice -0.0470 Bunsenite -2.6791
Trevorite -0.1643 Muscovite -2.7034
Saponite-K -0.2086 Coesite -2.7630
Amesite-14A -0.2295 Ni(OH)2 -2.9107
Saponite-Na -0.2438 FeO -2.9963
Cronstedtite-7A -0.4204
(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
H2(g) 2.302e-05 2.304e-05 1.001 -4.6376
N2(g) 1.515e-05 1.514e-05 0.9995 -4.8198
NH3(g) 1.799e-06 1.777e-06 0.9882 -5.7503
CO2(g) 3.870e-07 3.844e-07 0.9932 -6.4153
H2S(g) 1.643e-08 1.627e-08 0.9900 -7.7887
CO(g) 3.136e-15 3.136e-15 1.000* -14.5036
HCl(g) 2.704e-19 2.704e-19 1.000* -18.5679
C2H4(g) 2.175e-20 2.175e-20 1.000* -19.6626
S2(g) 2.144e-35 2.144e-35 1.000* -34.6687
SO2(g) 9.791e-36 9.581e-36 0.9786 -35.0186
Na(g) 5.485e-61 5.485e-61 1.000* -60.2608
NO(g) 5.093e-61 5.093e-61 1.000* -60.2930
K(g) 9.213e-63 9.213e-63 1.000* -62.0356
Cl2(g) 1.437e-69 1.437e-69 1.000* -68.8424
O2(g) 9.844e-84 9.834e-84 0.9990 -83.0073
NO2(g) 4.281e-95 4.281e-95 1.000* -94.3685
Mg(g) 1.291e-98 1.291e-98 1.000* -97.8890
Ca(g) 3.199e-123 3.199e-123 1.000* -122.4950
C(g) 1.286e-128 1.286e-128 1.000* -127.8907
Al(g) 2.540e-148 2.540e-148 1.000* -147.5952
Si(g) 1.823e-162 1.823e-162 1.000* -161.7393
*no data, gas taken to be ideal
In fluid Sorbed
Original basis total moles moles mg/kg moles mg/kg
-------------------------------------------------------------------------------------------------
H2O 5.006 4.990 9.990e+05
Al+++ 0.0007155 8.161e-09 0.002447
Ca++ 0.0004862 0.0002209 98.36
Cl- 0.001725 0.001725 679.5
Fe++ 0.007256 6.416e-08 0.03982
H+ -0.02573 0.0002535 2.839
HCO3- 0.0005328 2.167e-06 1.470
HPO4-- 9.369e-13 9.369e-13 9.992e-07
K+ 3.520e-05 3.520e-05 15.29
Mg++ 0.008583 0.0002396 64.72
Mn++ 1.637e-12 1.637e-12 9.992e-07
NH3(aq) 0.0002918 0.0002918 55.22
Na+ 0.0005172 0.0005172 132.1
Ni++ 0.0003650 9.727e-09 0.006344
O2(aq) -0.007553 -9.384e-08 -0.03337
SO4-- 0.004044 2.914e-08 0.03110
SiO2(aq) 0.008223 3.157e-08 0.02108
In fluid Sorbed
Elemental composition total moles moles mg/kg moles mg/kg
-------------------------------------------------------------------------------------------------
Aluminum 0.0007155 8.161e-09 0.002447
Calcium 0.0004862 0.0002209 98.36
Carbon 0.0005328 2.167e-06 0.2893
Chlorine 0.001725 0.001725 679.5
Hydrogen 9.989 9.981 1.118e+05
Iron 0.007256 6.416e-08 0.03982
Magnesium 0.008583 0.0002396 64.72
Manganese 1.637e-12 1.637e-12 9.992e-07
Nickel 0.0003650 9.727e-09 0.006344
Nitrogen 0.0002918 0.0002918 45.42
Oxygen 5.026 4.990 8.872e+05
Phosphorus 9.369e-13 9.369e-13 3.225e-07
Potassium 3.520e-05 3.520e-05 15.29
Silicon 0.008223 3.157e-08 0.009854
Sodium 0.0005172 0.0005172 132.1
Sulfur 0.004044 2.914e-08 0.01038
Step # 81 Xi = 0.0243
Temperature = 0.0 C Pressure = 1.013 bar
pH = 9.231 log fO2 = -82.384
Eh = -0.3829 volts pe = -7.0653
Ionic strength = 0.023222 molal
Activity of water = 0.999338
Solvent mass = 0.089892 kg
Solution mass = 0.089988 kg
Mineral mass = 0.0021490 kg
Fluid density = 1.001 g/cm3
compressibility = 4.825e-05 /bar
expansivity = 8.006e-05 /C
viscosity = 0.018 poise
Chlorinity = 0.019187 molal
Dissolved solids = 1063 mg/kg sol'n
Elect. conductivity = 2414.43 uS/cm (or umho/cm)
Hardness = 381.81 mg/kg sol'n as CaCO3
carbonate = 17.26 mg/kg sol'n as CaCO3
non-carbonate = 364.55 mg/kg sol'n as CaCO3
Carbonate alkalinity= 17.26 mg/kg sol'n as CaCO3
Water type = Na-Cl
Bulk volume = 90.6 cm3
Fluid volume = 89.9 cm3
Mineral volume = 0.636 cm3
Inert volume = 0.00 cm3
Porosity = 99.3 %
Permeability = 77.4 cm2
Mass reacted = 2.21 g
moles moles grams cm3 rxn rate
Reactants remaining reacted reacted reacted (molal/sec)
---------------------------------------------------------------------------------------------------------
Al2O3 0.01895 0.0004718 0.04811 -- --
CH4(g) (fixed fug.) -0.001496 -0.02400 -- --
CO2(aq) 0.09968 0.002482 0.1092 -- --
CaO 0.02575 0.0006412 0.03596 -- --
FeO 0.3843 0.009570 0.6876 0.1148 --
Formaldehyde(aq) 0.005844 0.0001455 0.004369 -- --
H2S(aq) 0.000 0.000 0.000 -- --
HCN(aq) 0.000 0.000 0.000 -- --
K2O 0.0009322 2.321e-05 0.002187 0.0009374 --
Methanol(aq) 0.01095 0.0002727 0.008739 -- --
MgO 0.4546 0.01132 0.4563 -- --
MnO 0.000 0.000 0.000 -- --
N2(g) 0.000 0.000 0.000 -- --
NH3(aq) 0.01546 0.0003848 0.006554 -- --
Na2O 0.01370 0.0003410 0.02114 0.008526 --
NiO 0.01933 0.0004814 0.03596 -- --
P2O5 0.000 0.000 0.000 -- --
S 0.2142 0.005334 0.1710 0.08274 --
SO2(g) 0.000 0.000 0.000 -- --
SO4-- 0.000 0.000 0.000 -- --
SiO2 0.4355 0.01084 0.6516 -- --
Minerals in system moles log moles grams volume (cm3)
-------------------------------------------------------------------------------------------
Chrysotile 0.0008617 -3.065 0.2388 0.09350
Dolomite-ord 0.0006402 -3.194 0.1181 0.04119
Gibbsite 0.0001451 -3.838 0.01131 0.004635
Magnesite 9.432e-05 -4.025 0.007953 0.002643
Magnetite 0.001412 -2.850 0.3269 0.06287
Ni2SiO4 0.0002407 -3.619 0.05042 0.01026
Pyrrhotite 0.005334 -2.273 0.4689 0.09708
Saponite-Mg 0.002420 -2.616 0.9266 0.3234
_____________ _____________
(total) 2.149 0.6356
Aqueous species molality mg/kg sol'n act. coef. log act.
------------------------------------------------------------------------------------------
Cl- 0.01913 677.6 0.8617 -1.7829
Na+ 0.007567 173.8 0.8671 -2.1830
NH4+ 0.003807 68.59 0.8588 -2.4855
Mg++ 0.003744 90.90 0.6100 -2.6414
K+ 0.0005163 20.17 0.8617 -3.3517
NH3(aq) 0.0004741 8.066 1.0000 -3.3241
HCO3- 0.0002794 17.03 0.8671 -3.6158
MgCl+ 3.875e-05 2.313 0.8671 -4.4737
CO3-- 1.722e-05 1.032 0.5685 -5.0093
MgCO3(aq) 1.712e-05 1.442 1.0000 -4.7665
NaCl(aq) 1.605e-05 0.9371 1.0000 -4.7945
Ca++ 1.120e-05 0.4484 0.5873 -5.1820
MgHCO3+ 7.666e-06 0.6534 0.8671 -5.1774
NaHCO3(aq) 3.755e-06 0.3151 1.0000 -5.4254
OH- 2.258e-06 0.03836 0.8644 -5.7095
Fe++ 7.906e-07 0.04411 0.5873 -6.3332
CO2(aq) 5.424e-07 0.02385 1.0000 -6.2656
NaCO3- 4.772e-07 0.03957 0.8671 -6.3832
HS- 3.395e-07 0.01122 0.8644 -6.5325
SiO2(aq) 3.053e-07 0.01832 1.0000 -6.5153
Ethane(aq) 2.272e-07 0.006825 1.0000 -6.6436
N2(aq) 1.767e-07 0.004944 1.0000 -6.7528
Ni++ 1.447e-07 0.008486 0.5873 -7.0706
KCl(aq) 1.431e-07 0.01066 1.0000 -6.8443
Acetate 1.329e-07 0.007836 0.8696 -6.9373
CaCO3(aq) 8.525e-08 0.008523 1.0000 -7.0693
AlO2- 7.528e-08 0.004435 0.8671 -7.1853
HSiO3- 2.843e-08 0.002189 0.8671 -7.6082
CaCl+ 2.656e-08 0.002004 0.8671 -7.6378
CaHCO3+ 2.287e-08 0.002310 0.8671 -7.7027
NaHSiO3(aq) 1.313e-08 0.001312 1.0000 -7.8819
H2(aq) 1.101e-08 2.217e-05 1.0000 -7.9581
Ni(NH3)2++ 1.086e-08 0.001006 0.5685 -8.2095
Formate 1.084e-08 0.0004873 0.8644 -8.0284
(only species > 1e-8 molal listed)
Mineral saturation states log Q/K log Q/K
-----------------------------------------------------------------------------------------------
Polydymite 16.9749s/sat Saponite-Ca -0.4111
Heazlewoodite 12.6932s/sat Cronstedtite-7A -0.5242
Antigorite 9.9880s/sat Goethite -0.6397
Vaesite 3.9841s/sat Siderite -1.0098
Millerite 3.8998s/sat Annite -1.2074
Pyrite 2.6095s/sat Saponite-H -1.5217
C 1.8193s/sat Talc -1.7137
Clinochlore-14A 1.5738s/sat Dolomite-dis -1.7407
Ripidolite-14A 1.1061s/sat Greenalite -1.7667
Phlogopite 1.0762s/sat Calcite -1.7929
Diaspore 0.4616s/sat Quartz -1.8834
Troilite 0.1079s/sat Aragonite -1.9387
Boehmite 0.0134s/sat Dawsonite -1.9872
Magnesite 0.0000 sat Clinochlore-7A -2.0187
Pyrrhotite 0.0000 sat Chamosite-7A -2.0555
Chrysotile 0.0000 sat Tridymite -2.0898
Saponite-Mg 0.0000 sat Chalcedony -2.1794
Dolomite-ord 0.0000 sat Brucite -2.2706
Ni2SiO4 0.0000 sat Ni -2.4008
Magnetite 0.0000 sat Ripidolite-7A -2.4938
Gibbsite 0.0000 sat Cristobalite(alpha) -2.4940
Dolomite -0.0001 Monohydrocalcite -2.5788
Ice -0.0470 Ferrosilite -2.6526
Trevorite -0.0605 Muscovite -2.6597
Saponite-K -0.1941 Bunsenite -2.6791
Saponite-Na -0.2295 Coesite -2.7630
Amesite-14A -0.2295 Ni(OH)2 -2.9107
Hematite -0.3698 Artinite -2.9454
Daphnite-14A -0.3960
(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
N2(g) 0.0001661 0.0001660 0.9995 -3.7798
H2(g) 1.124e-05 1.125e-05 1.001 -4.9490
CO2(g) 6.814e-06 6.768e-06 0.9932 -5.1695
NH3(g) 2.031e-06 2.007e-06 0.9882 -5.6974
H2S(g) 2.087e-08 2.066e-08 0.9900 -7.6849
CO(g) 2.696e-14 2.696e-14 1.000* -13.5693
HCl(g) 3.242e-19 3.242e-19 1.000* -18.4892
C2H4(g) 9.126e-20 9.126e-20 1.000* -19.0397
S2(g) 1.451e-34 1.451e-34 1.000* -33.8382
SO2(g) 1.069e-34 1.046e-34 0.9786 -33.9805
NO(g) 3.455e-60 3.455e-60 1.000* -59.4616
Na(g) 4.234e-61 4.234e-61 1.000* -60.3732
K(g) 7.118e-63 7.118e-63 1.000* -62.1476
Cl2(g) 4.232e-69 4.232e-69 1.000* -68.3735
O2(g) 4.131e-83 4.127e-83 0.9990 -82.3844
NO2(g) 5.948e-94 5.948e-94 1.000* -93.2256
Mg(g) 6.304e-99 6.304e-99 1.000* -98.2004
Ca(g) 5.036e-126 5.036e-126 1.000* -125.2979
C(g) 5.397e-128 5.397e-128 1.000* -127.2678
Al(g) 8.663e-149 8.663e-149 1.000* -148.0623
Si(g) 4.344e-163 4.344e-163 1.000* -162.3621
*no data, gas taken to be ideal
In fluid Sorbed
Original basis total moles moles mg/kg moles mg/kg
-------------------------------------------------------------------------------------------------
H2O 5.011 4.990 9.989e+05
Al+++ 0.0009436 6.814e-09 0.002043
Ca++ 0.0006412 1.019e-06 0.4538
Cl- 0.001725 0.001725 679.5
Fe++ 0.009570 7.163e-08 0.04445
H+ -0.03379 0.0003390 3.796
HCO3- 0.001404 2.939e-05 19.93
HPO4-- 9.369e-13 9.369e-13 9.993e-07
K+ 4.643e-05 4.643e-05 20.17
Mg++ 0.01132 0.0003423 92.44
Mn++ 1.637e-12 1.637e-12 9.993e-07
NH3(aq) 0.0003848 0.0003848 72.83
Na+ 0.0006821 0.0006821 174.3
Ni++ 0.0004814 1.400e-08 0.009131
O2(aq) -0.009962 -1.365e-07 -0.04854
SO4-- 0.005334 3.092e-08 0.03301
SiO2(aq) 0.01084 3.118e-08 0.02082
In fluid Sorbed
Elemental composition total moles moles mg/kg moles mg/kg
-------------------------------------------------------------------------------------------------
Aluminum 0.0009436 6.814e-09 0.002043
Calcium 0.0006412 1.019e-06 0.4538
Carbon 0.001404 2.939e-05 3.923
Chlorine 0.001725 0.001725 679.5
Hydrogen 9.990 9.981 1.118e+05
Iron 0.009570 7.163e-08 0.04445
Magnesium 0.01132 0.0003423 92.44
Manganese 1.637e-12 1.637e-12 9.993e-07
Nickel 0.0004814 1.400e-08 0.009131
Nitrogen 0.0003848 0.0003848 59.90
Oxygen 5.038 4.990 8.872e+05
Phosphorus 9.369e-13 9.369e-13 3.225e-07
Potassium 4.643e-05 4.643e-05 20.17
Silicon 0.01084 3.118e-08 0.009730
Sodium 0.0006821 0.0006821 174.3
Sulfur 0.005334 3.092e-08 0.01102
Step # 97 Xi = 0.0403
Temperature = 0.0 C Pressure = 1.013 bar
pH = 9.617 log fO2 = -82.384
Eh = -0.4039 volts pe = -7.4520
Ionic strength = 0.020762 molal
Activity of water = 0.999338
Solvent mass = 0.089886 kg
Solution mass = 0.089993 kg
Mineral mass = 0.0036254 kg
Fluid density = 1.001 g/cm3
compressibility = 4.825e-05 /bar
expansivity = 8.004e-05 /C
viscosity = 0.018 poise
Chlorinity = 0.019188 molal
Dissolved solids = 1192 mg/kg sol'n
Elect. conductivity = 2515.20 uS/cm (or umho/cm)
Hardness = 64.74 mg/kg sol'n as CaCO3
carbonate = 46.09 mg/kg sol'n as CaCO3
non-carbonate = 18.65 mg/kg sol'n as CaCO3
Carbonate alkalinity= 46.09 mg/kg sol'n as CaCO3
Water type = Na-Cl
Bulk volume = 91.0 cm3
Fluid volume = 89.9 cm3
Mineral volume = 1.06 cm3
Inert volume = 0.00 cm3
Porosity = 98.8 %
Permeability = 65.9 cm2
Mass reacted = 3.7 g
moles moles grams cm3 rxn rate
Reactants remaining reacted reacted reacted (molal/sec)
---------------------------------------------------------------------------------------------------------
Al2O3 0.01864 0.0007825 0.07979 -- --
CH4(g) (fixed fug.) -0.001033 -0.01658 -- --
CO2(aq) 0.09804 0.004117 0.1812 -- --
CaO 0.02533 0.001063 0.05964 -- --
FeO 0.3780 0.01587 1.140 0.1905 --
Formaldehyde(aq) 0.005748 0.0002414 0.007247 -- --
H2S(aq) 0.000 0.000 0.000 -- --
HCN(aq) 0.000 0.000 0.000 -- --
K2O 0.0009170 3.850e-05 0.003627 0.001555 --
Methanol(aq) 0.01077 0.0004523 0.01449 -- --
MgO 0.4472 0.01878 0.7568 -- --
MnO 0.000 0.000 0.000 -- --
N2(g) 0.000 0.000 0.000 -- --
NH3(aq) 0.01520 0.0006383 0.01087 -- --
Na2O 0.01347 0.0005656 0.03506 0.01414 --
NiO 0.01902 0.0007985 0.05964 -- --
P2O5 0.000 0.000 0.000 -- --
S 0.2107 0.008847 0.2837 0.1372 --
SO2(g) 0.000 0.000 0.000 -- --
SO4-- 0.000 0.000 0.000 -- --
SiO2 0.4284 0.01799 1.081 -- --
Minerals in system moles log moles grams volume (cm3)
-------------------------------------------------------------------------------------------
Chrysotile 0.0007151 -3.146 0.1982 0.07759
Dolomite-ord 0.001063 -2.973 0.1961 0.06841
Gibbsite 0.0001122 -3.950 0.008748 0.003584
Magnesite 0.001577 -2.802 0.1330 0.04418
Magnetite 0.002342 -2.630 0.5422 0.1043
Ni2SiO4 0.0003992 -3.399 0.08362 0.01701
Pyrrhotite 0.008847 -2.053 0.7777 0.1610
Saponite-K 1.108e-05 -4.956 0.004340 0.001549
Saponite-Mg 0.004391 -2.357 1.682 0.5870
_____________ _____________
(total) 3.625 1.065
Aqueous species molality mg/kg sol'n act. coef. log act.
------------------------------------------------------------------------------------------
Cl- 0.01915 678.3 0.8677 -1.7793
Na+ 0.01254 287.9 0.8727 -1.9609
NH4+ 0.005436 97.93 0.8651 -2.3277
NH3(aq) 0.001661 28.26 1.0000 -2.7796
K+ 0.0008158 31.86 0.8677 -3.1501
HCO3- 0.0006761 41.20 0.8727 -3.2291
Mg++ 0.0006189 15.02 0.6219 -3.4147
CO3-- 9.960e-05 5.970 0.5830 -4.2360
NaCl(aq) 2.699e-05 1.575 1.0000 -4.5689
MgCO3(aq) 1.712e-05 1.442 1.0000 -4.7665
NaHCO3(aq) 1.525e-05 1.280 1.0000 -4.8166
MgCl+ 6.543e-06 0.3905 0.8727 -5.2434
OH- 5.463e-06 0.09281 0.8702 -5.3229
NaCO3- 4.691e-06 0.3889 0.8727 -5.3879
MgHCO3+ 3.127e-06 0.2665 0.8727 -5.5640
N2(aq) 2.169e-06 0.06068 1.0000 -5.6638
Ca++ 1.846e-06 0.07388 0.6006 -5.9553
HS- 8.214e-07 0.02713 0.8702 -6.1458
CO2(aq) 5.424e-07 0.02384 1.0000 -6.2656
Acetate 3.216e-07 0.01897 0.8750 -6.5507
SiO2(aq) 3.053e-07 0.01832 1.0000 -6.5153
KCl(aq) 2.296e-07 0.01709 1.0000 -6.6391
Ethane(aq) 2.272e-07 0.006824 1.0000 -6.6436
AlO2- 1.822e-07 0.01073 0.8727 -6.7986
Fe++ 1.303e-07 0.007268 0.6006 -7.1065
CaCO3(aq) 8.525e-08 0.008522 1.0000 -7.0693
HSiO3- 6.881e-08 0.005298 0.8727 -7.2215
NaHSiO3(aq) 5.332e-08 0.005330 1.0000 -7.2731
Formate 2.622e-08 0.001179 0.8702 -7.6418
Ni++ 2.385e-08 0.001398 0.6006 -7.8438
Ni(NH3)2++ 2.190e-08 0.002029 0.5830 -7.8938
H2(aq) 1.101e-08 2.217e-05 1.0000 -7.9581
NaOH(aq) 1.026e-08 0.0004097 1.0000 -7.9890
(only species > 1e-8 molal listed)
Mineral saturation states log Q/K log Q/K
-----------------------------------------------------------------------------------------------
Polydymite 16.9749s/sat Saponite-Ca -0.4111
Heazlewoodite 12.6932s/sat Cronstedtite-7A -0.5242
Antigorite 9.9880s/sat Annite -0.6191
Vaesite 3.9841s/sat Goethite -0.6397
Millerite 3.8998s/sat Siderite -1.0098
Pyrite 2.6095s/sat Dawsonite -1.3785
C 1.8193s/sat Saponite-H -1.5217
Phlogopite 1.6645s/sat Talc -1.7137
Clinochlore-14A 1.5739s/sat Dolomite-dis -1.7407
Ripidolite-14A 1.1061s/sat Greenalite -1.7667
Diaspore 0.4616s/sat Calcite -1.7929
Troilite 0.1079s/sat Quartz -1.8834
Boehmite 0.0134s/sat Aragonite -1.9387
Chrysotile 0.0000 sat Clinochlore-7A -2.0186
Gibbsite 0.0000 sat Chamosite-7A -2.0555
Saponite-K 0.0000 sat Muscovite -2.0714
Saponite-Mg 0.0000 sat Tridymite -2.0898
Ni2SiO4 0.0000 sat Chalcedony -2.1794
Pyrrhotite 0.0000 sat Brucite -2.2706
Dolomite-ord 0.0000 sat Ni -2.4008
Magnetite 0.0000 sat Ripidolite-7A -2.4938
Magnesite 0.0000 sat Cristobalite(alpha) -2.4940
Dolomite -0.0001 Monohydrocalcite -2.5788
Saponite-Na -0.0286 Celadonite -2.6339
Ice -0.0470 Ferrosilite -2.6526
Trevorite -0.0605 Bunsenite -2.6791
Amesite-14A -0.2295 Coesite -2.7630
Hematite -0.3698 Ni(OH)2 -2.9107
Daphnite-14A -0.3960 Artinite -2.9454
(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
N2(g) 0.002039 0.002038 0.9995 -2.6908
H2(g) 1.124e-05 1.125e-05 1.001 -4.9490
NH3(g) 7.117e-06 7.033e-06 0.9882 -5.1529
CO2(g) 6.814e-06 6.768e-06 0.9932 -5.1695
H2S(g) 2.087e-08 2.066e-08 0.9900 -7.6849
CO(g) 2.696e-14 2.696e-14 1.000* -13.5693
HCl(g) 1.342e-19 1.342e-19 1.000* -18.8722
C2H4(g) 9.126e-20 9.126e-20 1.000* -19.0397
S2(g) 1.451e-34 1.451e-34 1.000* -33.8382
SO2(g) 1.069e-34 1.046e-34 0.9786 -33.9805
NO(g) 1.210e-59 1.210e-59 1.000* -58.9170
Na(g) 1.720e-60 1.720e-60 1.000* -59.7645
K(g) 2.759e-62 2.759e-62 1.000* -61.5593
Cl2(g) 7.250e-70 7.250e-70 1.000* -69.1396
O2(g) 4.131e-83 4.127e-83 0.9990 -82.3844
NO2(g) 2.084e-93 2.084e-93 1.000* -92.6811
Mg(g) 6.304e-99 6.304e-99 1.000* -98.2004
Ca(g) 5.036e-126 5.036e-126 1.000* -125.2979
C(g) 5.397e-128 5.397e-128 1.000* -127.2678
Al(g) 8.663e-149 8.663e-149 1.000* -148.0623
Si(g) 4.344e-163 4.344e-163 1.000* -162.3621
*no data, gas taken to be ideal
In fluid Sorbed
Original basis total moles moles mg/kg moles mg/kg
-------------------------------------------------------------------------------------------------
H2O 5.022 4.989 9.988e+05
Al+++ 0.001565 1.644e-08 0.004929
Ca++ 0.001063 1.748e-07 0.07785
Cl- 0.001725 0.001725 679.5
Fe++ 0.01587 1.181e-08 0.007326
H+ -0.05573 0.0004773 5.345
HCO3- 0.003777 7.350e-05 49.83
HPO4-- 9.369e-13 9.369e-13 9.992e-07
K+ 7.700e-05 7.335e-05 31.87
Mg++ 0.01878 5.804e-05 15.67
Mn++ 1.637e-12 1.637e-12 9.992e-07
NH3(aq) 0.0006383 0.0006383 120.8
Na+ 0.001131 0.001131 289.0
Ni++ 0.0007985 4.115e-09 0.002684
O2(aq) -0.01652 1.098e-08 0.003906
SO4-- 0.008847 7.424e-08 0.07925
SiO2(aq) 0.01799 3.842e-08 0.02565
In fluid Sorbed
Elemental composition total moles moles mg/kg moles mg/kg
-------------------------------------------------------------------------------------------------
Aluminum 0.001565 1.644e-08 0.004929
Calcium 0.001063 1.748e-07 0.07785
Carbon 0.003777 7.350e-05 9.809
Chlorine 0.001725 0.001725 679.5
Hydrogen 9.993 9.981 1.118e+05
Iron 0.01587 1.181e-08 0.007326
Magnesium 0.01878 5.804e-05 15.67
Manganese 1.637e-12 1.637e-12 9.992e-07
Nickel 0.0007985 4.115e-09 0.002684
Nitrogen 0.0006383 0.0006383 99.35
Oxygen 5.071 4.990 8.871e+05
Phosphorus 9.369e-13 9.369e-13 3.225e-07
Potassium 7.700e-05 7.335e-05 31.87
Silicon 0.01799 3.842e-08 0.01199
Sodium 0.001131 0.001131 289.0
Sulfur 0.008847 7.424e-08 0.02645
Step # 99 Xi = 0.0423
Temperature = 0.0 C Pressure = 1.013 bar
pH = 9.684 log fO2 = -82.384
Eh = -0.4075 volts pe = -7.5189
Ionic strength = 0.020822 molal
Activity of water = 0.999338
Solvent mass = 0.089885 kg
Solution mass = 0.089994 kg
Mineral mass = 0.0038094 kg
Fluid density = 1.001 g/cm3
compressibility = 4.825e-05 /bar
expansivity = 8.004e-05 /C
viscosity = 0.018 poise
Chlorinity = 0.019188 molal
Dissolved solids = 1212 mg/kg sol'n
Elect. conductivity = 2528.68 uS/cm (or umho/cm)
Hardness = 48.07 mg/kg sol'n as CaCO3
carbonate = 48.07 mg/kg sol'n as CaCO3
non-carbonate = 0.00 mg/kg sol'n as CaCO3
Carbonate alkalinity= 55.66 mg/kg sol'n as CaCO3
Water type = Na-Cl
Bulk volume = 91.0 cm3
Fluid volume = 89.9 cm3
Mineral volume = 1.12 cm3
Inert volume = 0.00 cm3
Porosity = 98.8 %
Permeability = 64.6 cm2
Mass reacted = 3.88 g
moles moles grams cm3 rxn rate
Reactants remaining reacted reacted reacted (molal/sec)
---------------------------------------------------------------------------------------------------------
Al2O3 0.01860 0.0008213 0.08375 -- --
CH4(g) (fixed fug.) -0.0009754 -0.01565 -- --
CO2(aq) 0.09784 0.004321 0.1902 -- --
CaO 0.02528 0.001116 0.06260 -- --
FeO 0.3772 0.01666 1.197 0.1999 --
Formaldehyde(aq) 0.005736 0.0002533 0.007607 -- --
H2S(aq) 0.000 0.000 0.000 -- --
HCN(aq) 0.000 0.000 0.000 -- --
K2O 0.0009150 4.041e-05 0.003807 0.001632 --
Methanol(aq) 0.01075 0.0004748 0.01521 -- --
MgO 0.4462 0.01971 0.7943 -- --
MnO 0.000 0.000 0.000 -- --
N2(g) 0.000 0.000 0.000 -- --
NH3(aq) 0.01517 0.0006700 0.01141 -- --
Na2O 0.01344 0.0005937 0.03680 0.01484 --
NiO 0.01898 0.0008381 0.06260 -- --
P2O5 0.000 0.000 0.000 -- --
S 0.2103 0.009286 0.2978 0.1440 --
SO2(g) 0.000 0.000 0.000 -- --
SO4-- 0.000 0.000 0.000 -- --
SiO2 0.4275 0.01888 1.134 -- --
Minerals in system moles log moles grams volume (cm3)
-------------------------------------------------------------------------------------------
Chrysotile 0.0006938 -3.159 0.1923 0.07528
Dolomite-ord 0.001116 -2.952 0.2058 0.07181
Gibbsite 0.0001075 -3.969 0.008386 0.003436
Magnesite 0.001754 -2.756 0.1479 0.04915
Magnetite 0.002458 -2.609 0.5691 0.1094
Ni2SiO4 0.0004190 -3.378 0.08778 0.01786
Pyrrhotite 0.009286 -2.032 0.8163 0.1690
Saponite-K 5.439e-05 -4.264 0.02131 0.007607
Saponite-Mg 0.004588 -2.338 1.757 0.6132
Saponite-Na 9.861e-06 -5.006 0.003811 0.001348
_____________ _____________
(total) 3.809 1.118
Aqueous species molality mg/kg sol'n act. coef. log act.
------------------------------------------------------------------------------------------
Cl- 0.01916 678.3 0.8676 -1.7794
Na+ 0.01312 301.3 0.8725 -1.9413
NH4+ 0.005490 98.91 0.8650 -2.3234
NH3(aq) 0.001957 33.29 1.0000 -2.7083
HCO3- 0.0007890 48.08 0.8725 -3.1622
K+ 0.0006993 27.31 0.8676 -3.2170
Mg++ 0.0004548 11.04 0.6216 -3.5486
CO3-- 0.0001357 8.132 0.5827 -4.1021
NaCl(aq) 2.823e-05 1.648 1.0000 -4.5493
NaHCO3(aq) 1.862e-05 1.562 1.0000 -4.7300
MgCO3(aq) 1.712e-05 1.442 1.0000 -4.7665
NaCO3- 6.683e-06 0.5540 0.8725 -5.2343
OH- 6.376e-06 0.1083 0.8701 -5.2559
MgCl+ 4.806e-06 0.2869 0.8725 -5.3774
N2(aq) 3.011e-06 0.08425 1.0000 -5.5213
MgHCO3+ 2.681e-06 0.2284 0.8725 -5.6310
Ca++ 1.357e-06 0.05430 0.6003 -6.0892
HS- 9.585e-07 0.03166 0.8701 -6.0788
CO2(aq) 5.424e-07 0.02384 1.0000 -6.2656
Acetate 3.753e-07 0.02213 0.8749 -6.4837
SiO2(aq) 3.053e-07 0.01832 1.0000 -6.5153
Ethane(aq) 2.272e-07 0.006824 1.0000 -6.6436
AlO2- 2.126e-07 0.01252 0.8725 -6.7316
KCl(aq) 1.967e-07 0.01465 1.0000 -6.7061
Fe++ 9.577e-08 0.005342 0.6003 -7.2404
CaCO3(aq) 8.525e-08 0.008522 1.0000 -7.0693
HSiO3- 8.029e-08 0.006182 0.8725 -7.1545
NaHSiO3(aq) 6.508e-08 0.006506 1.0000 -7.1865
Formate 3.059e-08 0.001376 0.8701 -7.5748
Ni(NH3)2++ 2.235e-08 0.002071 0.5827 -7.8853
Ni++ 1.753e-08 0.001028 0.6003 -7.9778
NaOH(aq) 1.252e-08 0.0005002 1.0000 -7.9024
H2(aq) 1.101e-08 2.217e-05 1.0000 -7.9581
(only species > 1e-8 molal listed)
Mineral saturation states log Q/K log Q/K
-----------------------------------------------------------------------------------------------
Polydymite 16.9749s/sat Saponite-Ca -0.4111
Heazlewoodite 12.6932s/sat Cronstedtite-7A -0.5242
Antigorite 9.9880s/sat Annite -0.6191
Vaesite 3.9841s/sat Goethite -0.6397
Millerite 3.8998s/sat Siderite -1.0098
Pyrite 2.6095s/sat Dawsonite -1.2919
C 1.8193s/sat Saponite-H -1.5217
Phlogopite 1.6645s/sat Talc -1.7137
Clinochlore-14A 1.5739s/sat Dolomite-dis -1.7407
Ripidolite-14A 1.1061s/sat Greenalite -1.7667
Diaspore 0.4616s/sat Calcite -1.7929
Troilite 0.1079s/sat Quartz -1.8834
Boehmite 0.0134s/sat Aragonite -1.9387
Chrysotile 0.0000 sat Clinochlore-7A -2.0186
Gibbsite 0.0000 sat Chamosite-7A -2.0555
Saponite-Mg 0.0000 sat Muscovite -2.0714
Saponite-K 0.0000 sat Tridymite -2.0898
Ni2SiO4 0.0000 sat Chalcedony -2.1794
Pyrrhotite 0.0000 sat Brucite -2.2706
Saponite-Na 0.0000 sat Ni -2.4008
Dolomite-ord 0.0000 sat Ripidolite-7A -2.4938
Magnetite 0.0000 sat Cristobalite(alpha) -2.4940
Magnesite 0.0000 sat Monohydrocalcite -2.5788
Dolomite -0.0001 Celadonite -2.6339
Ice -0.0470 Ferrosilite -2.6526
Trevorite -0.0605 Bunsenite -2.6791
Amesite-14A -0.2295 Coesite -2.7630
Hematite -0.3698 Ni(OH)2 -2.9107
Daphnite-14A -0.3960 Artinite -2.9454
(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
N2(g) 0.002831 0.002830 0.9995 -2.5483
H2(g) 1.124e-05 1.125e-05 1.001 -4.9490
NH3(g) 8.386e-06 8.286e-06 0.9882 -5.0816
CO2(g) 6.814e-06 6.768e-06 0.9932 -5.1695
H2S(g) 2.087e-08 2.066e-08 0.9900 -7.6849
CO(g) 2.696e-14 2.696e-14 1.000* -13.5693
HCl(g) 1.150e-19 1.150e-19 1.000* -18.9393
C2H4(g) 9.126e-20 9.126e-20 1.000* -19.0397
S2(g) 1.451e-34 1.451e-34 1.000* -33.8382
SO2(g) 1.069e-34 1.046e-34 0.9786 -33.9805
NO(g) 1.426e-59 1.426e-59 1.000* -58.8458
Na(g) 2.100e-60 2.100e-60 1.000* -59.6779
K(g) 2.759e-62 2.759e-62 1.000* -61.5593
Cl2(g) 5.324e-70 5.324e-70 1.000* -69.2737
O2(g) 4.131e-83 4.127e-83 0.9990 -82.3844
NO2(g) 2.456e-93 2.456e-93 1.000* -92.6099
Mg(g) 6.304e-99 6.304e-99 1.000* -98.2004
Ca(g) 5.036e-126 5.036e-126 1.000* -125.2979
C(g) 5.397e-128 5.397e-128 1.000* -127.2678
Al(g) 8.663e-149 8.663e-149 1.000* -148.0623
Si(g) 4.344e-163 4.344e-163 1.000* -162.3621
*no data, gas taken to be ideal
In fluid Sorbed
Original basis total moles moles mg/kg moles mg/kg
-------------------------------------------------------------------------------------------------
H2O 5.023 4.989 9.988e+05
Al+++ 0.001643 1.918e-08 0.005750
Ca++ 0.001116 1.306e-07 0.05817
Cl- 0.001725 0.001725 679.5
Fe++ 0.01666 8.677e-09 0.005385
H+ -0.05847 0.0004787 5.361
HCO3- 0.004074 8.734e-05 59.22
HPO4-- 9.369e-13 9.369e-13 9.992e-07
K+ 8.082e-05 6.287e-05 27.32
Mg++ 0.01971 4.310e-05 11.64
Mn++ 1.637e-12 1.637e-12 9.992e-07
NH3(aq) 0.0006700 0.0006700 126.8
Na+ 0.001187 0.001184 302.5
Ni++ 0.0008381 3.587e-09 0.002339
O2(aq) -0.01734 8.990e-08 0.03196
SO4-- 0.009286 8.657e-08 0.09241
SiO2(aq) 0.01888 4.051e-08 0.02704
In fluid Sorbed
Elemental composition total moles moles mg/kg moles mg/kg
-------------------------------------------------------------------------------------------------
Aluminum 0.001643 1.918e-08 0.005750
Calcium 0.001116 1.306e-07 0.05817
Carbon 0.004074 8.734e-05 11.66
Chlorine 0.001725 0.001725 679.5
Hydrogen 9.994 9.981 1.118e+05
Iron 0.01666 8.677e-09 0.005385
Magnesium 0.01971 4.310e-05 11.64
Manganese 1.637e-12 1.637e-12 9.992e-07
Nickel 0.0008381 3.587e-09 0.002339
Nitrogen 0.0006700 0.0006700 104.3
Oxygen 5.076 4.990 8.871e+05
Phosphorus 9.369e-13 9.369e-13 3.225e-07
Potassium 8.082e-05 6.287e-05 27.32
Silicon 0.01888 4.051e-08 0.01264
Sodium 0.001187 0.001184 302.5
Sulfur 0.009286 8.657e-08 0.03085
Step # 150 Xi = 0.0924
Temperature = 0.0 C Pressure = 1.013 bar
pH = 9.840 log fO2 = -82.384
Eh = -0.4159 volts pe = -7.6745
Ionic strength = 0.021384 molal
Activity of water = 0.999337
Solvent mass = 0.089867 kg
Solution mass = 0.089983 kg
Mineral mass = 0.0084572 kg
Fluid density = 1.001 g/cm3
compressibility = 4.825e-05 /bar
expansivity = 8.003e-05 /C
viscosity = 0.018 poise
Chlorinity = 0.019192 molal
Dissolved solids = 1293 mg/kg sol'n
Elect. conductivity = 2728.65 uS/cm (or umho/cm)
Hardness = 24.52 mg/kg sol'n as CaCO3
carbonate = 24.52 mg/kg sol'n as CaCO3
non-carbonate = 0.00 mg/kg sol'n as CaCO3
Carbonate alkalinity= 87.37 mg/kg sol'n as CaCO3
Water type = NH4-Cl
Bulk volume = 92.4 cm3
Fluid volume = 89.9 cm3
Mineral volume = 2.48 cm3
Inert volume = 0.00 cm3
Porosity = 97.3 %
Permeability = 39.0 cm2
Mass reacted = 8.52 g
moles moles grams cm3 rxn rate
Reactants remaining reacted reacted reacted (molal/sec)
---------------------------------------------------------------------------------------------------------
Al2O3 0.01763 0.001794 0.1829 -- --
CH4(g) (fixed fug.) 0.0004723 0.007578 -- --
CO2(aq) 0.09273 0.009436 0.4153 -- --
CaO 0.02395 0.002438 0.1367 -- --
FeO 0.3575 0.03638 2.614 0.4366 --
Formaldehyde(aq) 0.005436 0.0005532 0.01661 -- --
H2S(aq) 0.000 0.000 0.000 -- --
HCN(aq) 0.000 0.000 0.000 -- --
K2O 0.0008672 8.825e-05 0.008313 0.003563 --
Methanol(aq) 0.01019 0.001037 0.03322 -- --
MgO 0.4229 0.04304 1.735 -- --
MnO 0.000 0.000 0.000 -- --
N2(g) 0.000 0.000 0.000 -- --
NH3(aq) 0.01438 0.001463 0.02492 -- --
Na2O 0.01274 0.001296 0.08036 0.03241 --
NiO 0.01799 0.001830 0.1367 -- --
P2O5 0.000 0.000 0.000 -- --
S 0.1993 0.02028 0.6502 0.3145 --
SO2(g) 0.000 0.000 0.000 -- --
SO4-- 0.000 0.000 0.000 -- --
SiO2 0.4051 0.04123 2.477 -- --
Minerals in system moles log moles grams volume (cm3)
-------------------------------------------------------------------------------------------
Chrysotile 0.0002096 -3.679 0.05809 0.02274
Dolomite-ord 0.002438 -2.613 0.4495 0.1568
Magnesite 0.006492 -2.188 0.5474 0.1819
Magnetite 0.005368 -2.270 1.243 0.2390
Ni2SiO4 0.0009151 -3.039 0.1917 0.03899
Pyrrhotite 0.02028 -1.693 1.783 0.3691
Saponite-K 0.0004015 -3.396 0.1573 0.05615
Saponite-Mg 0.005125 -2.290 1.962 0.6850
Saponite-Na 0.005344 -2.272 2.065 0.7304
_____________ _____________
(total) 8.457 2.480
Aqueous species molality mg/kg sol'n act. coef. log act.
------------------------------------------------------------------------------------------
Cl- 0.01917 678.8 0.8662 -1.7798
NH4+ 0.01076 193.8 0.8635 -2.0321
Na+ 0.009183 210.9 0.8712 -2.0969
NH3(aq) 0.005477 93.16 1.0000 -2.2614
HCO3- 0.001131 68.90 0.8712 -3.0066
K+ 0.0004895 19.11 0.8662 -3.3726
CO3-- 0.0002794 16.75 0.5792 -3.7909
Mg++ 0.0002232 5.417 0.6188 -3.8598
N2(aq) 2.358e-05 0.6597 1.0000 -4.6275
NaCl(aq) 1.971e-05 1.151 1.0000 -4.7053
NaHCO3(aq) 1.862e-05 1.562 1.0000 -4.7300
MgCO3(aq) 1.712e-05 1.442 1.0000 -4.7665
NaCO3- 9.577e-06 0.7938 0.8712 -5.0787
OH- 9.137e-06 0.1552 0.8687 -5.1003
MgCl+ 2.349e-06 0.1402 0.8712 -5.6890
MgHCO3+ 1.876e-06 0.1599 0.8712 -5.7866
HS- 1.374e-06 0.04537 0.8687 -5.9232
Ca++ 6.661e-07 0.02666 0.5971 -6.4004
CO2(aq) 5.424e-07 0.02384 1.0000 -6.2656
Acetate 5.378e-07 0.03171 0.8736 -6.3281
SiO2(aq) 3.053e-07 0.01832 1.0000 -6.5153
AlO2- 3.047e-07 0.01795 0.8712 -6.5761
Ethane(aq) 2.272e-07 0.006823 1.0000 -6.6436
KCl(aq) 1.374e-07 0.01023 1.0000 -6.8621
HSiO3- 1.151e-07 0.008859 0.8712 -6.9989
Ni(NH3)2++ 8.600e-08 0.007966 0.5792 -7.3027
CaCO3(aq) 8.525e-08 0.008522 1.0000 -7.0693
NaHSiO3(aq) 6.508e-08 0.006505 1.0000 -7.1865
Fe++ 4.702e-08 0.002623 0.5971 -7.5516
Formate 4.384e-08 0.001971 0.8687 -7.4192
NaOH(aq) 1.252e-08 0.0005001 1.0000 -7.9024
H2(aq) 1.101e-08 2.217e-05 1.0000 -7.9581
(only species > 1e-8 molal listed)
Mineral saturation states log Q/K log Q/K
-----------------------------------------------------------------------------------------------
Polydymite 16.9749s/sat Saponite-Ca -0.4111
Heazlewoodite 12.6932s/sat Cronstedtite-7A -0.5242
Antigorite 9.9880s/sat Annite -0.6191
Vaesite 3.9841s/sat Goethite -0.6397
Millerite 3.8998s/sat Siderite -1.0098
Pyrite 2.6095s/sat Dawsonite -1.2919
C 1.8193s/sat Saponite-H -1.5217
Phlogopite 1.6645s/sat Talc -1.7137
Clinochlore-14A 1.5738s/sat Dolomite-dis -1.7407
Ripidolite-14A 1.1060s/sat Greenalite -1.7667
Diaspore 0.4616s/sat Calcite -1.7929
Troilite 0.1079s/sat Quartz -1.8834
Boehmite 0.0134s/sat Aragonite -1.9387
Chrysotile 0.0000 sat Clinochlore-7A -2.0187
Dolomite-ord 0.0000 sat Chamosite-7A -2.0556
Saponite-Mg 0.0000 sat Muscovite -2.0715
Saponite-K 0.0000 sat Tridymite -2.0898
Ni2SiO4 0.0000 sat Chalcedony -2.1794
Pyrrhotite 0.0000 sat Brucite -2.2706
Saponite-Na 0.0000 sat Ni -2.4008
Magnetite 0.0000 sat Ripidolite-7A -2.4939
Magnesite 0.0000 sat Cristobalite(alpha) -2.4940
Gibbsite -0.0000 Monohydrocalcite -2.5788
Dolomite -0.0001 Celadonite -2.6339
Ice -0.0470 Ferrosilite -2.6526
Trevorite -0.0605 Bunsenite -2.6791
Amesite-14A -0.2296 Coesite -2.7630
Hematite -0.3698 Ni(OH)2 -2.9107
Daphnite-14A -0.3960 Artinite -2.9454
(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
N2(g) 0.02217 0.02216 0.9995 -1.6545
H2O(g) 0.005489 0.005026 0.9156 -2.2988
NH3(g) 2.347e-05 2.319e-05 0.9882 -4.6347
H2(g) 1.124e-05 1.125e-05 1.001 -4.9490
CO2(g) 6.814e-06 6.768e-06 0.9932 -5.1695
H2S(g) 2.087e-08 2.066e-08 0.9900 -7.6849
CO(g) 2.696e-14 2.696e-14 1.000* -13.5693
C2H4(g) 9.126e-20 9.126e-20 1.000* -19.0397
HCl(g) 8.031e-20 8.031e-20 1.000* -19.0953
S2(g) 1.451e-34 1.451e-34 1.000* -33.8382
SO2(g) 1.069e-34 1.046e-34 0.9786 -33.9805
NO(g) 3.991e-59 3.991e-59 1.000* -58.3989
Na(g) 2.100e-60 2.100e-60 1.000* -59.6779
K(g) 2.759e-62 2.759e-62 1.000* -61.5593
Cl2(g) 2.596e-70 2.596e-70 1.000* -69.5857
O2(g) 4.131e-83 4.127e-83 0.9990 -82.3844
NO2(g) 6.871e-93 6.871e-93 1.000* -92.1630
Mg(g) 6.304e-99 6.304e-99 1.000* -98.2004
Ca(g) 5.036e-126 5.036e-126 1.000* -125.2979
C(g) 5.397e-128 5.397e-128 1.000* -127.2678
Al(g) 8.662e-149 8.662e-149 1.000* -148.0624
Si(g) 4.344e-163 4.344e-163 1.000* -162.3621
*no data, gas taken to be ideal
In fluid Sorbed
Original basis total moles moles mg/kg moles mg/kg
-------------------------------------------------------------------------------------------------
H2O 5.058 4.988 9.987e+05
Al+++ 0.003587 2.745e-08 0.008230
Ca++ 0.002438 6.817e-08 0.03036
Cl- 0.001725 0.001725 679.5
Fe++ 0.03638 4.260e-09 0.002644
H+ -0.1271 0.0009384 10.51
HCO3- 0.01150 0.0001312 88.94
HPO4-- 9.369e-13 9.369e-13 9.993e-07
K+ 0.0001765 4.400e-05 19.12
Mg++ 0.04304 2.197e-05 5.935
Mn++ 1.637e-12 1.637e-12 9.993e-07
NH3(aq) 0.001463 0.001463 276.9
Na+ 0.002593 0.0008296 212.0
Ni++ 0.001830 8.503e-09 0.005546
O2(aq) -0.03787 2.757e-06 0.9803
SO4-- 0.02028 1.239e-07 0.1322
SiO2(aq) 0.04123 4.362e-08 0.02913
In fluid Sorbed
Elemental composition total moles moles mg/kg moles mg/kg
-------------------------------------------------------------------------------------------------
Aluminum 0.003587 2.745e-08 0.008230
Calcium 0.002438 6.817e-08 0.03036
Carbon 0.01150 0.0001312 17.51
Chlorine 0.001725 0.001725 679.5
Hydrogen 10.00 9.982 1.118e+05
Iron 0.03638 4.260e-09 0.002644
Magnesium 0.04304 2.197e-05 5.935
Manganese 1.637e-12 1.637e-12 9.993e-07
Nickel 0.001830 8.503e-09 0.005546
Nitrogen 0.001463 0.001463 227.7
Oxygen 5.180 4.989 8.870e+05
Phosphorus 9.369e-13 9.369e-13 3.225e-07
Potassium 0.0001765 4.400e-05 19.12
Silicon 0.04123 4.362e-08 0.01362
Sodium 0.002593 0.0008296 212.0
Sulfur 0.02028 1.239e-07 0.04414
Step # 160 Xi = 0.0984
Temperature = 0.0 C Pressure = 1.013 bar
pH = 9.698 log fO2 = -82.199
Eh = -0.4057 volts pe = -7.4867
Ionic strength = 0.022330 molal
Activity of water = 0.999337
Solvent mass = 0.089861 kg
Solution mass = 0.089982 kg
Mineral mass = 0.0090217 kg
Fluid density = 1.001 g/cm3
compressibility = 4.825e-05 /bar
expansivity = 8.002e-05 /C
viscosity = 0.018 poise
Chlorinity = 0.019194 molal
Dissolved solids = 1344 mg/kg sol'n
Elect. conductivity = 2853.97 uS/cm (or umho/cm)
Hardness = 20.63 mg/kg sol'n as CaCO3
carbonate = 20.63 mg/kg sol'n as CaCO3
non-carbonate = 0.00 mg/kg sol'n as CaCO3
Carbonate alkalinity= 133.83 mg/kg sol'n as CaCO3
Water type = NH4-Cl
Bulk volume = 92.5 cm3
Fluid volume = 89.9 cm3
Mineral volume = 2.65 cm3
Inert volume = 0.00 cm3
Porosity = 97.1 %
Permeability = 36.8 cm2
Mass reacted = 9.08 g
moles moles grams cm3 rxn rate
Reactants remaining reacted reacted reacted (molal/sec)
---------------------------------------------------------------------------------------------------------
Al2O3 0.01751 0.001912 0.1949 -- --
CH4(g) (fixed fug.) 0.0006479 0.01039 -- --
CO2(aq) 0.09210 0.01006 0.4426 -- --
CaO 0.02379 0.002598 0.1457 -- --
FeO 0.3551 0.03878 2.786 0.4653 --
Formaldehyde(aq) 0.005400 0.0005896 0.01770 -- --
H2S(aq) 0.000 0.000 0.000 -- --
HCN(aq) 0.000 0.000 0.000 -- --
K2O 0.0008614 9.406e-05 0.008860 0.003798 --
Methanol(aq) 0.01012 0.001105 0.03541 -- --
MgO 0.4201 0.04587 1.849 -- --
MnO 0.000 0.000 0.000 -- --
N2(g) 0.000 0.000 0.000 -- --
NH3(aq) 0.01428 0.001559 0.02656 -- --
Na2O 0.01266 0.001382 0.08564 0.03455 --
NiO 0.01786 0.001951 0.1457 -- --
P2O5 0.000 0.000 0.000 -- --
S 0.1979 0.02161 0.6930 0.3352 --
SO2(g) 0.000 0.000 0.000 -- --
SO4-- 0.000 0.000 0.000 -- --
SiO2 0.4024 0.04394 2.640 -- --
Minerals in system moles log moles grams volume (cm3)
-------------------------------------------------------------------------------------------
Chrysotile 0.0002228 -3.652 0.06174 0.02417
Cronstedtite-7A 8.337e-07 -6.079 0.0003331 0.0001257
Dolomite-ord 0.002598 -2.585 0.4791 0.1672
Magnesite 0.006995 -2.155 0.5897 0.1960
Magnetite 0.005720 -2.243 1.324 0.2547
Ni2SiO4 0.0009753 -3.011 0.2043 0.04156
Pyrrhotite 0.02161 -1.665 1.900 0.3933
Saponite-K 0.0004491 -3.348 0.1759 0.06280
Saponite-Mg 0.005046 -2.297 1.932 0.6744
Saponite-Na 0.006091 -2.215 2.354 0.8325
_____________ _____________
(total) 9.022 2.647
Aqueous species molality mg/kg sol'n act. coef. log act.
------------------------------------------------------------------------------------------
Cl- 0.01917 678.8 0.8638 -1.7809
NH4+ 0.01265 227.9 0.8610 -1.9628
Na+ 0.008330 191.3 0.8691 -2.1403
NH3(aq) 0.004637 78.87 1.0000 -2.3337
HCO3- 0.001918 116.9 0.8691 -2.7781
K+ 0.0004442 17.34 0.8638 -3.4160
CO3-- 0.0003446 20.65 0.5736 -3.7041
Mg++ 0.0001841 4.469 0.6142 -3.9466
N2(aq) 3.202e-05 0.8958 1.0000 -4.4946
NaHCO3(aq) 2.851e-05 2.392 1.0000 -4.5450
NaCl(aq) 1.779e-05 1.038 1.0000 -4.7498
MgCO3(aq) 1.712e-05 1.442 1.0000 -4.7665
NaCO3- 1.061e-05 0.8794 0.8691 -5.0353
OH- 6.612e-06 0.1123 0.8665 -5.2419
MgHCO3+ 2.606e-06 0.2221 0.8691 -5.6450
MgCl+ 1.923e-06 0.1148 0.8691 -5.7769
CO2(aq) 1.272e-06 0.05589 1.0000 -5.8956
SiO2(aq) 1.096e-06 0.06575 1.0000 -5.9603
HS- 1.067e-06 0.03525 0.8665 -6.0340
Acetate 9.122e-07 0.05379 0.8715 -6.0997
Ca++ 5.502e-07 0.02202 0.5919 -6.4872
HSiO3- 2.988e-07 0.02301 0.8691 -6.5855
Ethane(aq) 2.811e-07 0.008443 1.0000 -6.5511
NaHSiO3(aq) 1.526e-07 0.01525 1.0000 -6.8165
KCl(aq) 1.240e-07 0.009231 1.0000 -6.9066
CaCO3(aq) 8.525e-08 0.008521 1.0000 -7.0693
Fe++ 8.481e-08 0.004730 0.5919 -7.2993
Ni(NH3)2++ 6.306e-08 0.005841 0.5736 -7.4416
Formate 6.011e-08 0.002702 0.8665 -7.2833
NH4CH3COO(aq) 1.474e-08 0.001135 1.0000 -7.8315
Acetamide(aq) 1.042e-08 0.0006147 1.0000 -7.9821
(only species > 1e-8 molal listed)
Mineral saturation states log Q/K log Q/K
-----------------------------------------------------------------------------------------------
Polydymite 16.3582s/sat Goethite -0.6243
Heazlewoodite 11.8298s/sat Siderite -0.6706
Antigorite 11.0981s/sat Greenalite -0.7491
Vaesite 3.8608s/sat Quartz -1.3284
Millerite 3.6532s/sat Saponite-H -1.4606
Pyrite 2.7328s/sat Tridymite -1.5348
C 2.0043s/sat Chalcedony -1.6244
Troilite 0.1079s/sat Dolomite-dis -1.7407
Saponite-Mg 0.0000 sat Calcite -1.7929
Cronstedtite-7A 0.0000 sat Annite -1.8553
Magnesite 0.0000 sat Aragonite -1.9387
Chrysotile 0.0000 sat Cristobalite(alpha) -1.9390
Saponite-K 0.0000 sat Ferrosilite -2.1284
Saponite-Na 0.0000 sat Diaspore -2.1622
Pyrrhotite 0.0000 sat Coesite -2.2080
Dolomite-ord 0.0000 sat Cristobalite(beta) -2.4590
Ni2SiO4 0.0000 sat Monohydrocalcite -2.5788
Magnetite 0.0000 sat Boehmite -2.6104
Dolomite -0.0001 Gibbsite -2.6238
Ice -0.0470 Brucite -2.6407
Trevorite -0.3071 Ni -2.7708
Hematite -0.3390 Minnesotaite -2.7982
Saponite-Ca -0.4111 SiO2(am) -2.8363
Phlogopite -0.5893 Bunsenite -2.9566
Talc -0.6036
(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
N2(g) 0.03010 0.03009 0.9995 -1.5216
H2O(g) 0.005489 0.005026 0.9156 -2.2988
NH3(g) 1.987e-05 1.963e-05 0.9882 -4.7070
CO2(g) 1.597e-05 1.587e-05 0.9932 -4.7995
H2(g) 9.080e-06 9.088e-06 1.001 -5.0415
H2S(g) 2.240e-08 2.218e-08 0.9900 -7.6541
CO(g) 5.108e-14 5.108e-14 1.000* -13.2918
C2H4(g) 1.397e-19 1.397e-19 1.000* -18.8547
HCl(g) 1.110e-19 1.110e-19 1.000* -18.9547
S2(g) 2.561e-34 2.561e-34 1.000* -33.5915
SO2(g) 2.174e-34 2.127e-34 0.9786 -33.6721
NO(g) 5.755e-59 5.755e-59 1.000* -58.2399
Na(g) 1.233e-60 1.233e-60 1.000* -59.9091
K(g) 1.620e-62 1.620e-62 1.000* -61.7906
Cl2(g) 6.135e-70 6.135e-70 1.000* -69.2122
O2(g) 6.324e-83 6.318e-83 0.9990 -82.1994
NO2(g) 1.226e-92 1.226e-92 1.000* -91.9115
Mg(g) 2.173e-99 2.173e-99 1.000* -98.6629
Ca(g) 1.736e-126 1.736e-126 1.000* -125.7604
C(g) 8.264e-128 8.264e-128 1.000* -127.0828
Al(g) 1.497e-151 1.497e-151 1.000* -150.8249
Si(g) 1.018e-162 1.018e-162 1.000* -161.9921
*no data, gas taken to be ideal
In fluid Sorbed
Original basis total moles moles mg/kg moles mg/kg
-------------------------------------------------------------------------------------------------
H2O 5.062 4.988 9.987e+05
Al+++ 0.003823 4.725e-11 1.417e-05
Ca++ 0.002598 5.792e-08 0.02580
Cl- 0.001725 0.001725 679.5
Fe++ 0.03878 7.682e-09 0.004768
H+ -0.1355 0.001103 12.36
HCO3- 0.01240 0.0002089 141.7
HPO4-- 9.369e-13 9.369e-13 9.993e-07
K+ 0.0001881 3.992e-05 17.35
Mg++ 0.04587 1.849e-05 4.994
Mn++ 1.637e-12 1.637e-12 9.993e-07
NH3(aq) 0.001559 0.001559 295.1
Na+ 0.002764 0.0007537 192.6
Ni++ 0.001951 6.459e-09 0.004213
O2(aq) -0.04036 3.862e-06 1.373
SO4-- 0.02161 9.635e-08 0.1029
SiO2(aq) 0.04394 1.390e-07 0.09283
In fluid Sorbed
Elemental composition total moles moles mg/kg moles mg/kg
-------------------------------------------------------------------------------------------------
Aluminum 0.003823 4.725e-11 1.417e-05
Calcium 0.002598 5.792e-08 0.02580
Carbon 0.01240 0.0002089 27.89
Chlorine 0.001725 0.001725 679.5
Hydrogen 10.01 9.982 1.118e+05
Iron 0.03878 7.682e-09 0.004768
Magnesium 0.04587 1.849e-05 4.994
Manganese 1.637e-12 1.637e-12 9.993e-07
Nickel 0.001951 6.459e-09 0.004213
Nitrogen 0.001559 0.001559 242.7
Oxygen 5.193 4.989 8.870e+05
Phosphorus 9.369e-13 9.369e-13 3.225e-07
Potassium 0.0001881 3.992e-05 17.35
Silicon 0.04394 1.390e-07 0.04339
Sodium 0.002764 0.0007537 192.6
Sulfur 0.02161 9.635e-08 0.03433
Step # 162 Xi = 0.1000
Temperature = 0.0 C Pressure = 1.013 bar
pH = 9.704 log fO2 = -82.199
Eh = -0.4060 volts pe = -7.4920
Ionic strength = 0.022376 molal
Activity of water = 0.999337
Solvent mass = 0.089859 kg
Solution mass = 0.089981 kg
Mineral mass = 0.0091671 kg
Fluid density = 1.001 g/cm3
compressibility = 4.825e-05 /bar
expansivity = 8.002e-05 /C
viscosity = 0.018 poise
Chlorinity = 0.019194 molal
Dissolved solids = 1348 mg/kg sol'n
Elect. conductivity = 2861.80 uS/cm (or umho/cm)
Hardness = 20.18 mg/kg sol'n as CaCO3
carbonate = 20.18 mg/kg sol'n as CaCO3
non-carbonate = 0.00 mg/kg sol'n as CaCO3
Carbonate alkalinity= 135.91 mg/kg sol'n as CaCO3
Water type = NH4-Cl
Bulk volume = 92.6 cm3
Fluid volume = 89.9 cm3
Mineral volume = 2.69 cm3
Inert volume = 0.00 cm3
Porosity = 97.1 %
Permeability = 36.2 cm2
Mass reacted = 9.23 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.) 0.0006942 0.01114 -- --
CO2(aq) 0.09195 0.01022 0.4496 -- --
CaO 0.02375 0.002639 0.1480 -- --
FeO 0.3545 0.03939 2.830 0.4727 --
Formaldehyde(aq) 0.005391 0.0005990 0.01798 -- --
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) 0.01010 0.001123 0.03597 -- --
MgO 0.4194 0.04660 1.878 -- --
MnO 0.000 0.000 0.000 -- --
N2(g) 0.000 0.000 0.000 -- --
NH3(aq) 0.01426 0.001584 0.02698 -- --
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)
-------------------------------------------------------------------------------------------
Chrysotile 0.0002181 -3.661 0.06043 0.02366
Cronstedtite-7A 1.734e-05 -4.761 0.006926 0.002614
Dolomite-ord 0.002639 -2.579 0.4867 0.1698
Magnesite 0.007142 -2.146 0.6021 0.2001
Magnetite 0.005789 -2.237 1.340 0.2577
Ni2SiO4 0.0009908 -3.004 0.2075 0.04222
Pyrrhotite 0.02195 -1.658 1.930 0.3996
Saponite-K 0.0004595 -3.338 0.1801 0.06427
Saponite-Mg 0.005059 -2.296 1.937 0.6762
Saponite-Na 0.006251 -2.204 2.416 0.8544
_____________ _____________
(total) 9.167 2.691
Aqueous species molality mg/kg sol'n act. coef. log act.
------------------------------------------------------------------------------------------
Cl- 0.01917 678.9 0.8637 -1.7809
NH4+ 0.01281 230.7 0.8609 -1.9575
Na+ 0.008230 188.9 0.8689 -2.1456
NH3(aq) 0.004752 80.82 1.0000 -2.3231
HCO3- 0.001942 118.3 0.8689 -2.7728
K+ 0.0004388 17.13 0.8637 -3.4214
CO3-- 0.0003533 21.17 0.5733 -3.6934
Mg++ 0.0001797 4.362 0.6139 -3.9573
N2(aq) 3.362e-05 0.9407 1.0000 -4.4734
NaHCO3(aq) 2.851e-05 2.392 1.0000 -4.5450
NaCl(aq) 1.757e-05 1.026 1.0000 -4.7551
MgCO3(aq) 1.712e-05 1.442 1.0000 -4.7665
NaCO3- 1.074e-05 0.8904 0.8689 -5.0299
OH- 6.694e-06 0.1137 0.8664 -5.2366
MgHCO3+ 2.575e-06 0.2194 0.8689 -5.6503
MgCl+ 1.877e-06 0.1120 0.8689 -5.7876
CO2(aq) 1.272e-06 0.05589 1.0000 -5.8956
SiO2(aq) 1.096e-06 0.06575 1.0000 -5.9603
HS- 1.080e-06 0.03569 0.8664 -6.0287
Acetate 9.235e-07 0.05445 0.8714 -6.0943
Ca++ 5.371e-07 0.02150 0.5917 -6.4979
HSiO3- 3.026e-07 0.02329 0.8689 -6.5802
Ethane(aq) 2.811e-07 0.008443 1.0000 -6.5511
NaHSiO3(aq) 1.526e-07 0.01525 1.0000 -6.8165
KCl(aq) 1.225e-07 0.009118 1.0000 -6.9120
CaCO3(aq) 8.525e-08 0.008521 1.0000 -7.0693
Fe++ 8.279e-08 0.004617 0.5917 -7.3099
Ni(NH3)2++ 6.465e-08 0.005988 0.5733 -7.4310
Formate 6.086e-08 0.002736 0.8664 -7.2780
NH4CH3COO(aq) 1.511e-08 0.001163 1.0000 -7.8209
Acetamide(aq) 1.068e-08 0.0006299 1.0000 -7.9715
(only species > 1e-8 molal listed)
Mineral saturation states log Q/K log Q/K
-----------------------------------------------------------------------------------------------
Polydymite 16.3582s/sat Goethite -0.6243
Heazlewoodite 11.8298s/sat Siderite -0.6706
Antigorite 11.0981s/sat Greenalite -0.7491
Vaesite 3.8608s/sat Quartz -1.3284
Millerite 3.6532s/sat Saponite-H -1.4606
Pyrite 2.7328s/sat Tridymite -1.5348
C 2.0043s/sat Chalcedony -1.6244
Troilite 0.1079s/sat Dolomite-dis -1.7407
Saponite-Mg 0.0000 sat Calcite -1.7929
Cronstedtite-7A 0.0000 sat Annite -1.8553
Magnesite 0.0000 sat Aragonite -1.9387
Chrysotile 0.0000 sat Cristobalite(alpha) -1.9390
Saponite-K 0.0000 sat Ferrosilite -2.1284
Saponite-Na 0.0000 sat Diaspore -2.1622
Pyrrhotite 0.0000 sat Coesite -2.2080
Dolomite-ord 0.0000 sat Cristobalite(beta) -2.4590
Ni2SiO4 0.0000 sat Monohydrocalcite -2.5788
Magnetite 0.0000 sat Boehmite -2.6104
Dolomite -0.0001 Gibbsite -2.6238
Ice -0.0470 Brucite -2.6407
Trevorite -0.3071 Ni -2.7708
Hematite -0.3390 Minnesotaite -2.7982
Saponite-Ca -0.4111 SiO2(am) -2.8363
Phlogopite -0.5893 Bunsenite -2.9566
Talc -0.6036
(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
N2(g) 0.03161 0.03160 0.9995 -1.5004
H2O(g) 0.005489 0.005026 0.9156 -2.2988
NH3(g) 2.036e-05 2.012e-05 0.9882 -4.6964
CO2(g) 1.597e-05 1.587e-05 0.9932 -4.7995
H2(g) 9.080e-06 9.088e-06 1.001 -5.0415
H2S(g) 2.240e-08 2.218e-08 0.9900 -7.6541
CO(g) 5.108e-14 5.108e-14 1.000* -13.2918
C2H4(g) 1.397e-19 1.397e-19 1.000* -18.8547
HCl(g) 1.096e-19 1.096e-19 1.000* -18.9601
S2(g) 2.561e-34 2.561e-34 1.000* -33.5915
SO2(g) 2.174e-34 2.127e-34 0.9786 -33.6721
NO(g) 5.898e-59 5.898e-59 1.000* -58.2293
Na(g) 1.233e-60 1.233e-60 1.000* -59.9091
K(g) 1.620e-62 1.620e-62 1.000* -61.7906
Cl2(g) 5.986e-70 5.986e-70 1.000* -69.2229
O2(g) 6.324e-83 6.318e-83 0.9990 -82.1994
NO2(g) 1.256e-92 1.256e-92 1.000* -91.9009
Mg(g) 2.173e-99 2.173e-99 1.000* -98.6629
Ca(g) 1.736e-126 1.736e-126 1.000* -125.7604
C(g) 8.264e-128 8.264e-128 1.000* -127.0828
Al(g) 1.497e-151 1.497e-151 1.000* -150.8249
Si(g) 1.018e-162 1.018e-162 1.000* -161.9921
*no data, gas taken to be ideal
In fluid Sorbed
Original basis total moles moles mg/kg moles mg/kg
-------------------------------------------------------------------------------------------------
H2O 5.063 4.988 9.987e+05
Al+++ 0.003884 4.784e-11 1.434e-05
Ca++ 0.002639 5.673e-08 0.02527
Cl- 0.001725 0.001725 679.6
Fe++ 0.03939 7.499e-09 0.004654
H+ -0.1376 0.001116 12.51
HCO3- 0.01263 0.0002119 143.7
HPO4-- 9.369e-13 9.369e-13 9.993e-07
K+ 0.0001911 3.944e-05 17.14
Mg++ 0.04660 1.809e-05 4.886
Mn++ 1.637e-12 1.637e-12 9.993e-07
NH3(aq) 0.001584 0.001584 299.8
Na+ 0.002807 0.0007447 190.3
Ni++ 0.001982 6.582e-09 0.004293
O2(aq) -0.04100 4.073e-06 1.449
SO4-- 0.02195 9.754e-08 0.1041
SiO2(aq) 0.04464 1.394e-07 0.09306
In fluid Sorbed
Elemental composition total moles moles mg/kg moles mg/kg
-------------------------------------------------------------------------------------------------
Aluminum 0.003884 4.784e-11 1.434e-05
Calcium 0.002639 5.673e-08 0.02527
Carbon 0.01263 0.0002119 28.28
Chlorine 0.001725 0.001725 679.6
Hydrogen 10.01 9.982 1.118e+05
Iron 0.03939 7.499e-09 0.004654
Magnesium 0.04660 1.809e-05 4.886
Manganese 1.637e-12 1.637e-12 9.993e-07
Nickel 0.001982 6.582e-09 0.004293
Nitrogen 0.001584 0.001584 246.6
Oxygen 5.196 4.989 8.870e+05
Phosphorus 9.369e-13 9.369e-13 3.225e-07
Potassium 0.0001911 3.944e-05 17.14
Silicon 0.04464 1.394e-07 0.04350
Sodium 0.002807 0.0007447 190.3
Sulfur 0.02195 9.754e-08 0.03476
Step # 230 Xi = 0.1672
Temperature = 0.0 C Pressure = 1.013 bar
pH = 9.902 log fO2 = -82.199
Eh = -0.4168 volts pe = -7.6901
Ionic strength = 0.025094 molal
Activity of water = 0.999336
Solvent mass = 0.089800 kg
Solution mass = 0.089942 kg
Mineral mass = 0.015426 kg
Fluid density = 1.001 g/cm3
compressibility = 4.825e-05 /bar
expansivity = 8.000e-05 /C
viscosity = 0.018 poise
Chlorinity = 0.019207 molal
Dissolved solids = 1580 mg/kg sol'n
Elect. conductivity = 3207.11 uS/cm (or umho/cm)
Hardness = 9.34 mg/kg sol'n as CaCO3
carbonate = 9.34 mg/kg sol'n as CaCO3
non-carbonate = 0.00 mg/kg sol'n as CaCO3
Carbonate alkalinity= 248.55 mg/kg sol'n as CaCO3
Water type = NH4-Cl
Bulk volume = 94.4 cm3
Fluid volume = 89.8 cm3
Mineral volume = 4.57 cm3
Inert volume = 0.00 cm3
Porosity = 95.2 %
Permeability = 18.5 cm2
Mass reacted = 15.4 g
moles moles grams cm3 rxn rate
Reactants remaining reacted reacted reacted (molal/sec)
---------------------------------------------------------------------------------------------------------
Al2O3 0.01617 0.003246 0.3310 -- --
CH4(g) (fixed fug.) 0.002690 0.04316 -- --
CO2(aq) 0.08508 0.01708 0.7515 -- --
CaO 0.02198 0.004412 0.2474 -- --
FeO 0.3281 0.06584 4.730 0.7901 --
Formaldehyde(aq) 0.004988 0.001001 0.03006 -- --
H2S(aq) 0.000 0.000 0.000 -- --
HCN(aq) 0.000 0.000 0.000 -- --
K2O 0.0007957 0.0001597 0.01504 0.006449 --
Methanol(aq) 0.009349 0.001876 0.06012 -- --
MgO 0.3881 0.07789 3.139 -- --
MnO 0.000 0.000 0.000 -- --
N2(g) 0.000 0.000 0.000 -- --
NH3(aq) 0.01319 0.002648 0.04509 -- --
Na2O 0.01169 0.002346 0.1454 0.05866 --
NiO 0.01650 0.003312 0.2474 -- --
P2O5 0.000 0.000 0.000 -- --
S 0.1828 0.03670 1.177 0.5692 --
SO2(g) 0.000 0.000 0.000 -- --
SO4-- 0.000 0.000 0.000 -- --
SiO2 0.3718 0.07461 4.483 -- --
Minerals in system moles log moles grams volume (cm3)
-------------------------------------------------------------------------------------------
Cronstedtite-7A 0.0007581 -3.120 0.3029 0.1143
Dolomite-ord 0.004412 -2.355 0.8135 0.2838
Magnesite 0.01346 -1.871 1.135 0.3770
Magnetite 0.008704 -2.060 2.015 0.3875
Ni2SiO4 0.001656 -2.781 0.3469 0.07057
Pyrrhotite 0.03670 -1.435 3.226 0.6679
Saponite-K 0.0008917 -3.050 0.3494 0.1247
Saponite-Mg 0.006005 -2.221 2.299 0.8027
Saponite-Na 0.01278 -1.894 4.938 1.746
_____________ _____________
(total) 15.43 4.575
Aqueous species molality mg/kg sol'n act. coef. log act.
------------------------------------------------------------------------------------------
Cl- 0.01919 679.4 0.8574 -1.7836
NH4+ 0.01843 332.0 0.8543 -1.8027
NH3(aq) 0.01071 182.1 1.0000 -1.9703
Na+ 0.005251 120.5 0.8631 -2.3437
HCO3- 0.003084 187.9 0.8631 -2.5748
CO3-- 0.0009032 54.12 0.5583 -3.2973
K+ 0.0002802 10.94 0.8574 -3.6194
N2(aq) 0.0001707 4.776 1.0000 -3.7676
Mg++ 7.367e-05 1.788 0.6016 -4.3534
NaHCO3(aq) 2.851e-05 2.391 1.0000 -4.5450
MgCO3(aq) 1.712e-05 1.441 1.0000 -4.7665
NaCO3- 1.706e-05 1.414 0.8631 -4.8319
NaCl(aq) 1.107e-05 0.6459 1.0000 -4.9559
OH- 1.064e-05 0.1806 0.8603 -5.0385
HS- 1.717e-06 0.05669 0.8603 -5.8306
MgHCO3+ 1.643e-06 0.1399 0.8631 -5.8484
Acetate 1.467e-06 0.08645 0.8658 -5.8963
CO2(aq) 1.272e-06 0.05588 1.0000 -5.8956
SiO2(aq) 1.096e-06 0.06573 1.0000 -5.9603
MgCl+ 7.542e-07 0.04500 0.8631 -6.1864
HSiO3- 4.806e-07 0.03699 0.8631 -6.3821
Ethane(aq) 2.811e-07 0.008441 1.0000 -6.5511
Ca++ 2.209e-07 0.008838 0.5780 -6.8940
NaHSiO3(aq) 1.526e-07 0.01525 1.0000 -6.8165
Ni(NH3)2++ 1.354e-07 0.01254 0.5583 -7.1214
Formate 9.670e-08 0.004346 0.8603 -7.0799
CaCO3(aq) 8.525e-08 0.008519 1.0000 -7.0693
KCl(aq) 7.713e-08 0.005741 1.0000 -7.1128
Fe++ 3.405e-08 0.001898 0.5780 -7.7060
NH4CH3COO(aq) 3.404e-08 0.002620 1.0000 -7.4680
Acetamide(aq) 2.406e-08 0.001419 1.0000 -7.6186
(only species > 1e-8 molal listed)
Mineral saturation states log Q/K log Q/K
-----------------------------------------------------------------------------------------------
Polydymite 16.3582s/sat Goethite -0.6243
Heazlewoodite 11.8298s/sat Siderite -0.6706
Antigorite 11.0980s/sat Greenalite -0.7491
Vaesite 3.8608s/sat Quartz -1.3284
Millerite 3.6532s/sat Saponite-H -1.4606
Pyrite 2.7328s/sat Tridymite -1.5348
C 2.0043s/sat Chalcedony -1.6244
Troilite 0.1079s/sat Dolomite-dis -1.7407
Saponite-Mg 0.0000 sat Calcite -1.7929
Cronstedtite-7A 0.0000 sat Annite -1.8553
Magnesite 0.0000 sat Aragonite -1.9387
Saponite-Na 0.0000 sat Cristobalite(alpha) -1.9390
Saponite-K 0.0000 sat Ferrosilite -2.1284
Dolomite-ord 0.0000 sat Diaspore -2.1622
Pyrrhotite 0.0000 sat Coesite -2.2080
Ni2SiO4 0.0000 sat Cristobalite(beta) -2.4590
Magnetite 0.0000 sat Monohydrocalcite -2.5788
Chrysotile -0.0000 sat Boehmite -2.6104
Dolomite -0.0001 Gibbsite -2.6238
Ice -0.0470 Brucite -2.6407
Trevorite -0.3071 Ni -2.7708
Hematite -0.3390 Minnesotaite -2.7982
Saponite-Ca -0.4111 SiO2(am) -2.8363
Phlogopite -0.5893 Bunsenite -2.9566
Talc -0.6036
(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
N2(g) 0.1605 0.1605 0.9995 -0.7946
H2O(g) 0.005489 0.005026 0.9156 -2.2988
NH3(g) 4.588e-05 4.533e-05 0.9882 -4.3436
CO2(g) 1.597e-05 1.587e-05 0.9932 -4.7995
H2(g) 9.080e-06 9.088e-06 1.001 -5.0415
H2S(g) 2.240e-08 2.218e-08 0.9900 -7.6541
CO(g) 5.108e-14 5.108e-14 1.000* -13.2918
C2H4(g) 1.397e-19 1.397e-19 1.000* -18.8547
HCl(g) 6.904e-20 6.904e-20 1.000* -19.1609
S2(g) 2.561e-34 2.561e-34 1.000* -33.5915
SO2(g) 2.174e-34 2.127e-34 0.9786 -33.6721
NO(g) 1.329e-58 1.329e-58 1.000* -57.8765
Na(g) 1.233e-60 1.233e-60 1.000* -59.9091
K(g) 1.620e-62 1.620e-62 1.000* -61.7906
Cl2(g) 2.374e-70 2.374e-70 1.000* -69.6245
O2(g) 6.324e-83 6.318e-83 0.9990 -82.1994
NO2(g) 2.831e-92 2.831e-92 1.000* -91.5480
Mg(g) 2.173e-99 2.173e-99 1.000* -98.6629
Ca(g) 1.736e-126 1.736e-126 1.000* -125.7604
C(g) 8.264e-128 8.264e-128 1.000* -127.0828
Al(g) 1.497e-151 1.497e-151 1.000* -150.8248
Si(g) 1.018e-162 1.018e-162 1.000* -161.9921
*no data, gas taken to be ideal
In fluid Sorbed
Original basis total moles moles mg/kg moles mg/kg
-------------------------------------------------------------------------------------------------
H2O 5.110 4.985 9.984e+05
Al+++ 0.006492 7.586e-11 2.276e-05
Ca++ 0.004412 2.798e-08 0.01247
Cl- 0.001725 0.001725 679.9
Fe++ 0.06584 3.081e-09 0.001913
H+ -0.2296 0.001571 17.60
HCO3- 0.02264 0.0003643 247.2
HPO4-- 9.369e-13 9.369e-13 9.998e-07
K+ 0.0003194 2.517e-05 10.94
Mg++ 0.07789 8.368e-06 2.261
Mn++ 1.637e-12 1.637e-12 9.998e-07
NH3(aq) 0.002648 0.002648 501.4
Na+ 0.004693 0.0004767 121.8
Ni++ 0.003312 1.248e-08 0.008146
O2(aq) -0.06864 2.232e-05 7.942
SO4-- 0.03670 1.546e-07 0.1652
SiO2(aq) 0.07461 1.553e-07 0.1037
In fluid Sorbed
Elemental composition total moles moles mg/kg moles mg/kg
-------------------------------------------------------------------------------------------------
Aluminum 0.006492 7.586e-11 2.276e-05
Calcium 0.004412 2.798e-08 0.01247
Carbon 0.02264 0.0003643 48.65
Chlorine 0.001725 0.001725 679.9
Hydrogen 10.02 9.979 1.118e+05
Iron 0.06584 3.081e-09 0.001913
Magnesium 0.07789 8.368e-06 2.261
Manganese 1.637e-12 1.637e-12 9.998e-07
Nickel 0.003312 1.248e-08 0.008146
Nitrogen 0.002648 0.002648 412.3
Oxygen 5.337 4.986 8.869e+05
Phosphorus 9.369e-13 9.369e-13 3.226e-07
Potassium 0.0003194 2.517e-05 10.94
Silicon 0.07461 1.553e-07 0.04848
Sodium 0.004693 0.0004767 121.8
Sulfur 0.03670 1.546e-07 0.05513
Step # 246 Xi = 0.1810
Temperature = 0.0 C Pressure = 1.013 bar
pH = 9.838 log fO2 = -82.086
Eh = -0.4118 volts pe = -7.5979
Ionic strength = 0.027286 molal
Activity of water = 0.999336
Solvent mass = 0.089787 kg
Solution mass = 0.089941 kg
Mineral mass = 0.016712 kg
Fluid density = 1.001 g/cm3
compressibility = 4.825e-05 /bar
expansivity = 7.998e-05 /C
viscosity = 0.018 poise
Chlorinity = 0.019209 molal
Dissolved solids = 1713 mg/kg sol'n
Elect. conductivity = 3434.07 uS/cm (or umho/cm)
Hardness = 7.93 mg/kg sol'n as CaCO3
carbonate = 7.93 mg/kg sol'n as CaCO3
non-carbonate = 0.00 mg/kg sol'n as CaCO3
Carbonate alkalinity= 346.34 mg/kg sol'n as CaCO3
Water type = NH4-Cl
Bulk volume = 94.8 cm3
Fluid volume = 89.8 cm3
Mineral volume = 4.96 cm3
Inert volume = 0.00 cm3
Porosity = 94.8 %
Permeability = 16.2 cm2
Mass reacted = 16.7 g
moles moles grams cm3 rxn rate
Reactants remaining reacted reacted reacted (molal/sec)
---------------------------------------------------------------------------------------------------------
Al2O3 0.01590 0.003515 0.3584 -- --
CH4(g) (fixed fug.) 0.003093 0.04963 -- --
CO2(aq) 0.08367 0.01849 0.8139 -- --
CaO 0.02161 0.004778 0.2679 -- --
FeO 0.3226 0.07131 5.123 0.8557 --
Formaldehyde(aq) 0.004905 0.001084 0.03256 -- --
H2S(aq) 0.000 0.000 0.000 -- --
HCN(aq) 0.000 0.000 0.000 -- --
K2O 0.0007825 0.0001730 0.01629 0.006984 --
Methanol(aq) 0.009193 0.002032 0.06511 -- --
MgO 0.3816 0.08435 3.400 -- --
MnO 0.000 0.000 0.000 -- --
N2(g) 0.000 0.000 0.000 -- --
NH3(aq) 0.01297 0.002868 0.04884 -- --
Na2O 0.01150 0.002541 0.1575 0.06353 --
NiO 0.01623 0.003587 0.2679 -- --
P2O5 0.000 0.000 0.000 -- --
S 0.1798 0.03974 1.274 0.6165 --
SO2(g) 0.000 0.000 0.000 -- --
SO4-- 0.000 0.000 0.000 -- --
SiO2 0.3656 0.08081 4.855 -- --
Minerals in system moles log moles grams volume (cm3)
-------------------------------------------------------------------------------------------
Annite 9.817e-07 -6.008 0.0005025 0.0001515
Cronstedtite-7A 0.0008291 -3.081 0.3312 0.1250
Dolomite-ord 0.004778 -2.321 0.8810 0.3074
Magnesite 0.01463 -1.835 1.234 0.4099
Magnetite 0.009414 -2.026 2.180 0.4192
Ni2SiO4 0.001794 -2.746 0.3757 0.07642
Pyrrhotite 0.03974 -1.401 3.494 0.7233
Saponite-K 0.0009769 -3.010 0.3828 0.1366
Saponite-Mg 0.006223 -2.206 2.383 0.8318
Saponite-Na 0.01410 -1.851 5.450 1.928
_____________ _____________
(total) 16.71 4.957
Aqueous species molality mg/kg sol'n act. coef. log act.
------------------------------------------------------------------------------------------
NH4+ 0.02099 377.9 0.8494 -1.7489
Cl- 0.01920 679.5 0.8526 -1.7860
NH3(aq) 0.01047 177.9 1.0000 -1.9802
Na+ 0.004706 108.0 0.8588 -2.3935
HCO3- 0.004517 275.1 0.8588 -2.4113
CO3-- 0.001159 69.45 0.5473 -3.1976
K+ 0.0002512 9.803 0.8526 -3.6693
N2(aq) 0.0002415 6.753 1.0000 -3.6171
Mg++ 5.944e-05 1.442 0.5926 -4.4531
NaHCO3(aq) 3.703e-05 3.106 1.0000 -4.4314
NaCO3- 1.924e-05 1.594 0.8588 -4.7820
MgCO3(aq) 1.712e-05 1.441 1.0000 -4.7665
NaCl(aq) 9.816e-06 0.5727 1.0000 -5.0081
OH- 9.233e-06 0.1568 0.8558 -5.1023
Acetate 2.147e-06 0.1266 0.8616 -5.7328
CO2(aq) 2.146e-06 0.09428 1.0000 -5.6684
MgHCO3+ 1.912e-06 0.1629 0.8588 -5.7846
HS- 1.557e-06 0.05140 0.8558 -5.8755
SiO2(aq) 1.145e-06 0.06865 1.0000 -5.9414
MgCl+ 5.993e-07 0.03575 0.8588 -6.2885
HSiO3- 4.357e-07 0.03353 0.8588 -6.4270
Ethane(aq) 3.204e-07 0.009619 1.0000 -6.4943
Ca++ 1.787e-07 0.007149 0.5679 -6.9937
Ni(NH3)2++ 1.732e-07 0.01603 0.5473 -7.0233
Formate 1.243e-07 0.005585 0.8558 -6.9732
NaHSiO3(aq) 1.227e-07 0.01226 1.0000 -6.9112
CaCO3(aq) 8.525e-08 0.008518 1.0000 -7.0693
KCl(aq) 6.840e-08 0.005091 1.0000 -7.1649
AlO2- 6.812e-08 0.004011 0.8588 -7.2329
NH4CH3COO(aq) 5.614e-08 0.004320 1.0000 -7.2507
Fe++ 4.450e-08 0.002481 0.5679 -7.5974
Acetamide(aq) 3.969e-08 0.002340 1.0000 -7.4013
(only species > 1e-8 molal listed)
Mineral saturation states log Q/K log Q/K
-----------------------------------------------------------------------------------------------
Polydymite 16.4623s/sat Boehmite -0.6414
Heazlewoodite 11.7825s/sat Chrysotile -0.6439
Vaesite 3.9460s/sat Gibbsite -0.6548
Millerite 3.6626s/sat Greenalite -0.7681
Pyrite 2.8085s/sat Clinochlore-14A -1.0003
C 2.1179s/sat Talc -1.2096
Antigorite 0.8339s/sat Quartz -1.3095
Phlogopite 0.6411s/sat Saponite-H -1.4231
Troilite 0.1079s/sat Tridymite -1.5159
Pyrrhotite 0.0000 sat Chalcedony -1.6055
Saponite-Mg 0.0000 sat Dawsonite -1.6481
Cronstedtite-7A 0.0000 sat Dolomite-dis -1.7407
Magnesite 0.0000 sat Calcite -1.7929
Dolomite-ord 0.0000 sat Celadonite -1.8887
Saponite-K 0.0000 sat Cristobalite(alpha) -1.9201
Saponite-Na 0.0000 sat Aragonite -1.9387
Annite 0.0000 sat Ferrosilite -2.1284
Magnetite 0.0000 sat Coesite -2.1891
Ni2SiO4 0.0000 sat Cristobalite(beta) -2.4401
Dolomite -0.0001 Monohydrocalcite -2.5788
Ice -0.0470 Muscovite -2.6126
Diaspore -0.1932 Maximum_Microcline -2.7103
Daphnite-14A -0.2326 K-Feldspar -2.7147
Trevorite -0.2977 Minnesotaite -2.7792
Hematite -0.3200 SiO2(am) -2.8174
Ripidolite-14A -0.3730 Ni -2.8371
Saponite-Ca -0.4111 Brucite -2.8679
Siderite -0.4623 Chamosite-7A -2.8908
Goethite -0.6148 Bunsenite -2.9661
(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
N2(g) 0.2270 0.2269 0.9995 -0.6441
H2O(g) 0.005489 0.005026 0.9156 -2.2988
NH3(g) 4.484e-05 4.431e-05 0.9882 -4.3535
CO2(g) 2.696e-05 2.677e-05 0.9932 -4.5723
H2(g) 7.967e-06 7.974e-06 1.001 -5.0983
H2S(g) 2.340e-08 2.317e-08 0.9900 -7.6351
CO(g) 7.562e-14 7.562e-14 1.000* -13.1213
C2H4(g) 1.815e-19 1.815e-19 1.000* -18.7411
HCl(g) 7.953e-20 7.953e-20 1.000* -19.0994
S2(g) 3.631e-34 3.631e-34 1.000* -33.4400
SO2(g) 3.362e-34 3.290e-34 0.9786 -33.4828
NO(g) 1.801e-58 1.801e-58 1.000* -57.7444
Na(g) 8.889e-61 8.889e-61 1.000* -60.0512
K(g) 1.168e-62 1.168e-62 1.000* -61.9326
Cl2(g) 3.591e-70 3.591e-70 1.000* -69.4447
O2(g) 8.216e-83 8.208e-83 0.9990 -82.0858
NO2(g) 4.374e-92 4.374e-92 1.000* -91.3591
Mg(g) 1.130e-99 1.130e-99 1.000* -98.9470
Ca(g) 9.026e-127 9.026e-127 1.000* -126.0445
C(g) 1.073e-127 1.073e-127 1.000* -126.9692
Al(g) 1.145e-149 1.145e-149 1.000* -148.9411
Si(g) 8.189e-163 8.189e-163 1.000* -162.0868
*no data, gas taken to be ideal
In fluid Sorbed
Original basis total moles moles mg/kg moles mg/kg
-------------------------------------------------------------------------------------------------
H2O 5.120 4.984 9.983e+05
Al+++ 0.007031 6.128e-09 0.001838
Ca++ 0.004778 2.425e-08 0.01080
Cl- 0.001725 0.001725 679.9
Fe++ 0.07131 4.026e-09 0.002500
H+ -0.2486 0.001777 19.91
HCO3- 0.02470 0.0005171 350.8
HPO4-- 9.369e-13 9.369e-13 9.998e-07
K+ 0.0003459 2.256e-05 9.806
Mg++ 0.08435 7.100e-06 1.919
Mn++ 1.637e-12 1.637e-12 9.998e-07
NH3(aq) 0.002868 0.002868 543.0
Na+ 0.005082 0.0004284 109.5
Ni++ 0.003587 1.598e-08 0.01043
O2(aq) -0.07433 3.173e-05 11.29
SO4-- 0.03974 1.403e-07 0.1498
SiO2(aq) 0.08081 1.529e-07 0.1021
In fluid Sorbed
Elemental composition total moles moles mg/kg moles mg/kg
-------------------------------------------------------------------------------------------------
Aluminum 0.007031 6.128e-09 0.001838
Calcium 0.004778 2.425e-08 0.01080
Carbon 0.02470 0.0005171 69.05
Chlorine 0.001725 0.001725 679.9
Hydrogen 10.02 9.979 1.118e+05
Iron 0.07131 4.026e-09 0.002500
Magnesium 0.08435 7.100e-06 1.919
Manganese 1.637e-12 1.637e-12 9.998e-07
Nickel 0.003587 1.598e-08 0.01043
Nitrogen 0.002868 0.002868 446.6
Oxygen 5.366 4.985 8.869e+05
Phosphorus 9.369e-13 9.369e-13 3.226e-07
Potassium 0.0003459 2.256e-05 9.806
Silicon 0.08081 1.529e-07 0.04774
Sodium 0.005082 0.0004284 109.5
Sulfur 0.03974 1.403e-07 0.05000
Step # 265 Xi = 0.2000
Temperature = 0.0 C Pressure = 1.013 bar
pH = 9.878 log fO2 = -82.086
Eh = -0.4140 volts pe = -7.6384
Ionic strength = 0.028498 molal
Activity of water = 0.999336
Solvent mass = 0.089767 kg
Solution mass = 0.089929 kg
Mineral mass = 0.018481 kg
Fluid density = 1.001 g/cm3
compressibility = 4.825e-05 /bar
expansivity = 7.997e-05 /C
viscosity = 0.018 poise
Chlorinity = 0.019214 molal
Dissolved solids = 1804 mg/kg sol'n
Elect. conductivity = 3553.29 uS/cm (or umho/cm)
Hardness = 6.93 mg/kg sol'n as CaCO3
carbonate = 6.93 mg/kg sol'n as CaCO3
non-carbonate = 0.00 mg/kg sol'n as CaCO3
Carbonate alkalinity= 394.47 mg/kg sol'n as CaCO3
Water type = NH4-Cl
Bulk volume = 95.3 cm3
Fluid volume = 89.8 cm3
Mineral volume = 5.49 cm3
Inert volume = 0.00 cm3
Porosity = 94.2 %
Permeability = 13.5 cm2
Mass reacted = 18.5 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.) 0.003664 0.05877 -- --
CO2(aq) 0.08173 0.02043 0.8992 -- --
CaO 0.02111 0.005278 0.2960 -- --
FeO 0.3151 0.07878 5.660 0.9454 --
Formaldehyde(aq) 0.004792 0.001198 0.03597 -- --
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) 0.008980 0.002245 0.07194 -- --
MgO 0.3728 0.09319 3.756 -- --
MnO 0.000 0.000 0.000 -- --
N2(g) 0.000 0.000 0.000 -- --
NH3(aq) 0.01267 0.003168 0.05395 -- --
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)
-------------------------------------------------------------------------------------------
Annite 2.219e-05 -4.654 0.01136 0.003425
Cronstedtite-7A 0.001087 -2.964 0.4344 0.1639
Dolomite-ord 0.005278 -2.277 0.9733 0.3396
Magnesite 0.01640 -1.785 1.383 0.4595
Magnetite 0.01015 -1.993 2.350 0.4520
Ni2SiO4 0.001982 -2.703 0.4151 0.08443
Pyrrhotite 0.04391 -1.357 3.860 0.7991
Saponite-K 0.001028 -2.988 0.4029 0.1438
Saponite-Mg 0.006616 -2.179 2.533 0.8842
Saponite-Na 0.01583 -1.801 6.117 2.163
_____________ _____________
(total) 18.48 5.494
Aqueous species molality mg/kg sol'n act. coef. log act.
------------------------------------------------------------------------------------------
NH4+ 0.02241 403.4 0.8467 -1.7219
Cl- 0.01920 679.6 0.8501 -1.7871
NH3(aq) 0.01223 207.8 1.0000 -1.9127
HCO3- 0.004972 302.8 0.8565 -2.3708
Na+ 0.004298 98.63 0.8565 -2.4340
CO3-- 0.001412 84.57 0.5416 -3.1166
N2(aq) 0.0003296 9.216 1.0000 -3.4820
K+ 0.0002295 8.956 0.8501 -3.7098
Mg++ 4.972e-05 1.206 0.5880 -4.5341
NaHCO3(aq) 3.703e-05 3.105 1.0000 -4.4314
NaCO3- 2.117e-05 1.754 0.8565 -4.7415
MgCO3(aq) 1.712e-05 1.441 1.0000 -4.7665
OH- 1.016e-05 0.1726 0.8534 -5.0618
NaCl(aq) 8.918e-06 0.5202 1.0000 -5.0497
Acetate 2.363e-06 0.1393 0.8594 -5.6923
CO2(aq) 2.146e-06 0.09427 1.0000 -5.6684
MgHCO3+ 1.747e-06 0.1488 0.8565 -5.8251
HS- 1.714e-06 0.05658 0.8534 -5.8349
SiO2(aq) 1.145e-06 0.06864 1.0000 -5.9414
MgCl+ 4.973e-07 0.02967 0.8565 -6.3706
HSiO3- 4.795e-07 0.03690 0.8565 -6.3865
Ethane(aq) 3.204e-07 0.009618 1.0000 -6.4943
Ni(NH3)2++ 1.982e-07 0.01835 0.5416 -6.9692
Ca++ 1.496e-07 0.005987 0.5626 -7.0747
Formate 1.368e-07 0.006148 0.8534 -6.9327
NaHSiO3(aq) 1.227e-07 0.01226 1.0000 -6.9112
CaCO3(aq) 8.525e-08 0.008517 1.0000 -7.0693
AlO2- 7.498e-08 0.004414 0.8565 -7.1924
NH4CH3COO(aq) 6.559e-08 0.005047 1.0000 -7.1832
KCl(aq) 6.214e-08 0.004624 1.0000 -7.2066
Acetamide(aq) 4.637e-08 0.002734 1.0000 -7.3338
Fe++ 3.727e-08 0.002078 0.5626 -7.6784
(only species > 1e-8 molal listed)
Mineral saturation states log Q/K log Q/K
-----------------------------------------------------------------------------------------------
Polydymite 16.4623s/sat Boehmite -0.6414
Heazlewoodite 11.7825s/sat Chrysotile -0.6439
Vaesite 3.9460s/sat Gibbsite -0.6548
Millerite 3.6626s/sat Greenalite -0.7681
Pyrite 2.8085s/sat Clinochlore-14A -1.0003
C 2.1179s/sat Talc -1.2096
Antigorite 0.8339s/sat Quartz -1.3095
Phlogopite 0.6411s/sat Saponite-H -1.4231
Troilite 0.1079s/sat Tridymite -1.5159
Pyrrhotite 0.0000 sat Chalcedony -1.6055
Saponite-Mg 0.0000 sat Dawsonite -1.6481
Cronstedtite-7A 0.0000 sat Dolomite-dis -1.7407
Magnesite 0.0000 sat Calcite -1.7929
Dolomite-ord 0.0000 sat Celadonite -1.8887
Saponite-K 0.0000 sat Cristobalite(alpha) -1.9201
Saponite-Na 0.0000 sat Aragonite -1.9387
Annite 0.0000 sat Ferrosilite -2.1284
Magnetite 0.0000 sat Coesite -2.1891
Ni2SiO4 0.0000 sat Cristobalite(beta) -2.4401
Dolomite -0.0001 Monohydrocalcite -2.5788
Ice -0.0470 Muscovite -2.6126
Diaspore -0.1932 Maximum_Microcline -2.7103
Daphnite-14A -0.2326 K-Feldspar -2.7147
Trevorite -0.2977 Minnesotaite -2.7792
Hematite -0.3200 SiO2(am) -2.8174
Ripidolite-14A -0.3730 Ni -2.8371
Saponite-Ca -0.4111 Brucite -2.8679
Siderite -0.4623 Chamosite-7A -2.8908
Goethite -0.6148 Bunsenite -2.9661
(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
N2(g) 0.3099 0.3097 0.9995 -0.5090
H2O(g) 0.005489 0.005026 0.9156 -2.2988
NH3(g) 5.238e-05 5.176e-05 0.9882 -4.2860
CO2(g) 2.696e-05 2.677e-05 0.9932 -4.5723
H2(g) 7.967e-06 7.974e-06 1.001 -5.0983
H2S(g) 2.340e-08 2.317e-08 0.9900 -7.6351
CO(g) 7.562e-14 7.562e-14 1.000* -13.1213
C2H4(g) 1.815e-19 1.815e-19 1.000* -18.7411
HCl(g) 7.226e-20 7.226e-20 1.000* -19.1411
S2(g) 3.631e-34 3.631e-34 1.000* -33.4400
SO2(g) 3.362e-34 3.290e-34 0.9786 -33.4828
NO(g) 2.104e-58 2.104e-58 1.000* -57.6769
Na(g) 8.889e-61 8.889e-61 1.000* -60.0512
K(g) 1.168e-62 1.168e-62 1.000* -61.9326
Cl2(g) 2.964e-70 2.964e-70 1.000* -69.5281
O2(g) 8.216e-83 8.208e-83 0.9990 -82.0858
NO2(g) 5.110e-92 5.110e-92 1.000* -91.2916
Mg(g) 1.130e-99 1.130e-99 1.000* -98.9470
Ca(g) 9.026e-127 9.026e-127 1.000* -126.0445
C(g) 1.073e-127 1.073e-127 1.000* -126.9692
Al(g) 1.145e-149 1.145e-149 1.000* -148.9411
Si(g) 8.189e-163 8.189e-163 1.000* -162.0868
*no data, gas taken to be ideal
In fluid Sorbed
Original basis total moles moles mg/kg moles mg/kg
-------------------------------------------------------------------------------------------------
H2O 5.133 4.983 9.982e+05
Al+++ 0.007768 6.743e-09 0.002023
Ca++ 0.005278 2.159e-08 0.009620
Cl- 0.001725 0.001725 679.9
Fe++ 0.07878 3.371e-09 0.002093
H+ -0.2746 0.001881 21.08
HCO3- 0.02754 0.0005807 394.0
HPO4-- 9.369e-13 9.369e-13 9.999e-07
K+ 0.0003822 2.060e-05 8.958
Mg++ 0.09319 6.202e-06 1.676
Mn++ 1.637e-12 1.637e-12 9.999e-07
NH3(aq) 0.003168 0.003168 600.0
Na+ 0.005615 0.0003919 100.2
Ni++ 0.003963 1.816e-08 0.01185
O2(aq) -0.08216 4.352e-05 15.48
SO4-- 0.04391 1.543e-07 0.1648
SiO2(aq) 0.08927 1.568e-07 0.1048
In fluid Sorbed
Elemental composition total moles moles mg/kg moles mg/kg
-------------------------------------------------------------------------------------------------
Aluminum 0.007768 6.743e-09 0.002023
Calcium 0.005278 2.159e-08 0.009620
Carbon 0.02754 0.0005807 77.56
Chlorine 0.001725 0.001725 679.9
Hydrogen 10.03 9.977 1.118e+05
Iron 0.07878 3.371e-09 0.002093
Magnesium 0.09319 6.202e-06 1.676
Manganese 1.637e-12 1.637e-12 9.999e-07
Nickel 0.003963 1.816e-08 0.01185
Nitrogen 0.003168 0.003168 493.4
Oxygen 5.406 4.985 8.868e+05
Phosphorus 9.369e-13 9.369e-13 3.227e-07
Potassium 0.0003822 2.060e-05 8.958
Silicon 0.08927 1.568e-07 0.04897
Sodium 0.005615 0.0003919 100.2
Sulfur 0.04391 1.543e-07 0.05503
Step # 365 Xi = 0.3000
Temperature = 0.0 C Pressure = 1.013 bar
pH = 10.027 log fO2 = -82.086
Eh = -0.4220 volts pe = -7.7870
Ionic strength = 0.035265 molal
Activity of water = 0.999335
Solvent mass = 0.089664 kg
Solution mass = 0.089871 kg
Mineral mass = 0.027801 kg
Fluid density = 1.002 g/cm3
compressibility = 4.824e-05 /bar
expansivity = 7.991e-05 /C
viscosity = 0.018 poise
Chlorinity = 0.019236 molal
Dissolved solids = 2299 mg/kg sol'n
Elect. conductivity = 4166.27 uS/cm (or umho/cm)
Hardness = 4.48 mg/kg sol'n as CaCO3
carbonate = 4.48 mg/kg sol'n as CaCO3
non-carbonate = 0.00 mg/kg sol'n as CaCO3
Carbonate alkalinity= 655.36 mg/kg sol'n as CaCO3
Water type = NH4-Cl
Bulk volume = 98.0 cm3
Fluid volume = 89.7 cm3
Mineral volume = 8.32 cm3
Inert volume = 0.00 cm3
Porosity = 91.5 %
Permeability = 5.27 cm2
Mass reacted = 27.8 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.) 0.006654 0.1068 -- --
CO2(aq) 0.07151 0.03065 1.349 -- --
CaO 0.01847 0.007918 0.4440 -- --
FeO 0.2757 0.1182 8.490 1.418 --
Formaldehyde(aq) 0.004193 0.001797 0.05395 -- --
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) 0.007858 0.003368 0.1079 -- --
MgO 0.3262 0.1398 5.634 -- --
MnO 0.000 0.000 0.000 -- --
N2(g) 0.000 0.000 0.000 -- --
NH3(aq) 0.01109 0.004752 0.08093 -- --
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)
-------------------------------------------------------------------------------------------
Annite 0.0001384 -3.859 0.07083 0.02135
Cronstedtite-7A 0.002484 -2.605 0.9925 0.3745
Dolomite-ord 0.007918 -2.101 1.460 0.5094
Magnesite 0.02572 -1.590 2.169 0.7207
Magnetite 0.01398 -1.854 3.238 0.6226
Ni2SiO4 0.002972 -2.527 0.6226 0.1266
Pyrrhotite 0.06586 -1.181 5.790 1.199
Saponite-K 0.001273 -2.895 0.4987 0.1780
Saponite-Mg 0.008954 -2.048 3.429 1.197
Saponite-Na 0.02466 -1.608 9.531 3.371
_____________ _____________
(total) 27.80 8.320
Aqueous species molality mg/kg sol'n act. coef. log act.
------------------------------------------------------------------------------------------
NH4+ 0.02897 521.4 0.8334 -1.6172
NH3(aq) 0.02191 372.3 1.0000 -1.6594
Cl- 0.01923 680.2 0.8374 -1.7931
HCO3- 0.007097 432.0 0.8449 -2.2221
Na+ 0.003094 70.97 0.8449 -2.5827
CO3-- 0.002954 176.8 0.5132 -2.8193
N2(aq) 0.001058 29.58 1.0000 -2.9754
K+ 0.0001654 6.454 0.8374 -3.8584
NaHCO3(aq) 3.703e-05 3.104 1.0000 -4.4314
NaCO3- 3.022e-05 2.503 0.8449 -4.5929
Mg++ 2.609e-05 0.6327 0.5651 -4.8314
MgCO3(aq) 1.712e-05 1.440 1.0000 -4.7665
OH- 1.452e-05 0.2464 0.8412 -4.9132
NaCl(aq) 6.246e-06 0.3642 1.0000 -5.2044
Acetate 3.371e-06 0.1986 0.8483 -5.5437
HS- 2.448e-06 0.08077 0.8412 -5.6863
CO2(aq) 2.146e-06 0.09423 1.0000 -5.6684
MgHCO3+ 1.257e-06 0.1070 0.8449 -5.9737
SiO2(aq) 1.145e-06 0.06861 1.0000 -5.9414
HSiO3- 6.845e-07 0.05265 0.8449 -6.2378
Ni(NH3)2++ 3.388e-07 0.03135 0.5132 -6.7598
Ethane(aq) 3.204e-07 0.009613 1.0000 -6.4943
MgCl+ 2.508e-07 0.01495 0.8449 -6.6739
Formate 1.954e-07 0.008778 0.8412 -6.7841
NaHSiO3(aq) 1.227e-07 0.01225 1.0000 -6.9112
NH4CH3COO(aq) 1.175e-07 0.009039 1.0000 -6.9298
AlO2- 1.070e-07 0.006298 0.8449 -7.0437
CaCO3(aq) 8.525e-08 0.008513 1.0000 -7.0693
Acetamide(aq) 8.309e-08 0.004897 1.0000 -7.0804
Ca++ 7.910e-08 0.003163 0.5368 -7.3720
KCl(aq) 4.353e-08 0.003238 1.0000 -7.3612
Fe++ 1.970e-08 0.001098 0.5368 -7.9757
(only species > 1e-8 molal listed)
Mineral saturation states log Q/K log Q/K
-----------------------------------------------------------------------------------------------
Polydymite 16.4623s/sat Boehmite -0.6415
Heazlewoodite 11.7825s/sat Chrysotile -0.6439
Vaesite 3.9460s/sat Gibbsite -0.6548
Millerite 3.6626s/sat Greenalite -0.7681
Pyrite 2.8085s/sat Clinochlore-14A -1.0003
C 2.1179s/sat Talc -1.2096
Antigorite 0.8339s/sat Quartz -1.3095
Phlogopite 0.6411s/sat Saponite-H -1.4231
Troilite 0.1079s/sat Tridymite -1.5159
Pyrrhotite 0.0000 sat Chalcedony -1.6055
Saponite-Mg 0.0000 sat Dawsonite -1.6481
Cronstedtite-7A 0.0000 sat Dolomite-dis -1.7407
Magnesite 0.0000 sat Calcite -1.7929
Dolomite-ord 0.0000 sat Celadonite -1.8887
Saponite-K 0.0000 sat Cristobalite(alpha) -1.9201
Saponite-Na 0.0000 sat Aragonite -1.9387
Annite 0.0000 sat Ferrosilite -2.1284
Magnetite 0.0000 sat Coesite -2.1891
Ni2SiO4 0.0000 sat Cristobalite(beta) -2.4401
Dolomite -0.0001 Monohydrocalcite -2.5788
Ice -0.0470 Muscovite -2.6127
Diaspore -0.1933 Maximum_Microcline -2.7103
Daphnite-14A -0.2326 K-Feldspar -2.7147
Trevorite -0.2977 Minnesotaite -2.7792
Hematite -0.3200 SiO2(am) -2.8174
Ripidolite-14A -0.3730 Ni -2.8371
Saponite-Ca -0.4111 Brucite -2.8679
Siderite -0.4623 Chamosite-7A -2.8908
Goethite -0.6148 Bunsenite -2.9661
(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
N2(g) 0.9951 0.9946 0.9995 -0.0024
H2O(g) 0.005489 0.005026 0.9156 -2.2988
NH3(g) 9.387e-05 9.276e-05 0.9882 -4.0327
CO2(g) 2.696e-05 2.677e-05 0.9932 -4.5723
H2(g) 7.967e-06 7.974e-06 1.001 -5.0983
H2S(g) 2.340e-08 2.317e-08 0.9900 -7.6351
CO(g) 7.562e-14 7.562e-14 1.000* -13.1213
C2H4(g) 1.815e-19 1.815e-19 1.000* -18.7411
HCl(g) 5.061e-20 5.061e-20 1.000* -19.2957
S2(g) 3.631e-34 3.631e-34 1.000* -33.4400
SO2(g) 3.362e-34 3.290e-34 0.9786 -33.4828
NO(g) 3.771e-58 3.771e-58 1.000* -57.4235
Na(g) 8.889e-61 8.889e-61 1.000* -60.0512
K(g) 1.168e-62 1.168e-62 1.000* -61.9326
Cl2(g) 1.454e-70 1.454e-70 1.000* -69.8373
O2(g) 8.216e-83 8.208e-83 0.9990 -82.0858
NO2(g) 9.157e-92 9.157e-92 1.000* -91.0383
Mg(g) 1.130e-99 1.130e-99 1.000* -98.9470
Ca(g) 9.026e-127 9.026e-127 1.000* -126.0445
C(g) 1.073e-127 1.073e-127 1.000* -126.9692
Al(g) 1.145e-149 1.145e-149 1.000* -148.9411
Si(g) 8.189e-163 8.189e-163 1.000* -162.0868
*no data, gas taken to be ideal
In fluid Sorbed
Original basis total moles moles mg/kg moles mg/kg
-------------------------------------------------------------------------------------------------
H2O 5.203 4.977 9.976e+05
Al+++ 0.01165 9.609e-09 0.002885
Ca++ 0.007918 1.509e-08 0.006729
Cl- 0.001725 0.001725 680.4
Fe++ 0.1182 1.779e-09 0.001106
H+ -0.4117 0.002328 26.11
HCO3- 0.04247 0.0009098 617.7
HPO4-- 9.369e-13 9.369e-13 1.001e-06
K+ 0.0005733 1.484e-05 6.455
Mg++ 0.1398 4.010e-06 1.084
Mn++ 1.637e-12 1.637e-12 1.001e-06
NH3(aq) 0.004752 0.004752 900.5
Na+ 0.008422 0.0002840 72.66
Ni++ 0.005945 3.079e-08 0.02011
O2(aq) -0.1234 0.0001412 50.26
SO4-- 0.06586 2.200e-07 0.2352
SiO2(aq) 0.1339 1.750e-07 0.1170
In fluid Sorbed
Elemental composition total moles moles mg/kg moles mg/kg
-------------------------------------------------------------------------------------------------
Aluminum 0.01165 9.609e-09 0.002885
Calcium 0.007918 1.509e-08 0.006729
Carbon 0.04247 0.0009098 121.6
Chlorine 0.001725 0.001725 680.4
Hydrogen 10.05 9.971 1.118e+05
Iron 0.1182 1.779e-09 0.001106
Magnesium 0.1398 4.010e-06 1.084
Manganese 1.637e-12 1.637e-12 1.001e-06
Nickel 0.005945 3.079e-08 0.02011
Nitrogen 0.004752 0.004752 740.6
Oxygen 5.615 4.980 8.866e+05
Phosphorus 9.369e-13 9.369e-13 3.229e-07
Potassium 0.0005733 1.484e-05 6.455
Silicon 0.1339 1.750e-07 0.05469
Sodium 0.008422 0.0002840 72.66
Sulfur 0.06586 2.200e-07 0.07850
Step # 465 Xi = 0.4000
Temperature = 0.0 C Pressure = 1.013 bar
pH = 10.115 log fO2 = -82.086
Eh = -0.4268 volts pe = -7.8750
Ionic strength = 0.042058 molal
Activity of water = 0.999334
Solvent mass = 0.089563 kg
Solution mass = 0.089814 kg
Mineral mass = 0.037121 kg
Fluid density = 1.002 g/cm3
compressibility = 4.824e-05 /bar
expansivity = 7.985e-05 /C
viscosity = 0.018 poise
Chlorinity = 0.019257 molal
Dissolved solids = 2790 mg/kg sol'n
Elect. conductivity = 4738.65 uS/cm (or umho/cm)
Hardness = 3.64 mg/kg sol'n as CaCO3
carbonate = 3.64 mg/kg sol'n as CaCO3
non-carbonate = 0.00 mg/kg sol'n as CaCO3
Carbonate alkalinity= 909.21 mg/kg sol'n as CaCO3
Water type = NH4-Cl
Bulk volume = 101. cm3
Fluid volume = 89.6 cm3
Mineral volume = 11.1 cm3
Inert volume = 0.00 cm3
Porosity = 88.9 %
Permeability = 2.16 cm2
Mass reacted = 37 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.) 0.009621 0.1543 -- --
CO2(aq) 0.06130 0.04086 1.798 -- --
CaO 0.01584 0.01056 0.5920 -- --
FeO 0.2363 0.1576 11.32 1.891 --
Formaldehyde(aq) 0.003594 0.002396 0.07194 -- --
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) 0.006735 0.004490 0.1439 -- --
MgO 0.2796 0.1864 7.512 -- --
MnO 0.000 0.000 0.000 -- --
N2(g) 0.000 0.000 0.000 -- --
NH3(aq) 0.009504 0.006336 0.1079 -- --
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)
-------------------------------------------------------------------------------------------
Annite 0.0002583 -3.588 0.1322 0.03986
Cronstedtite-7A 0.003912 -2.408 1.563 0.5898
Dolomite-ord 0.01056 -1.976 1.947 0.6792
Magnesite 0.03504 -1.455 2.955 0.9819
Magnetite 0.01777 -1.750 4.115 0.7913
Ni2SiO4 0.003963 -2.402 0.8301 0.1689
Pyrrhotite 0.08782 -1.056 7.720 1.598
Saponite-K 0.001496 -2.825 0.5863 0.2093
Saponite-Mg 0.01148 -1.940 4.397 1.535
Saponite-Na 0.03331 -1.477 12.88 4.554
_____________ _____________
(total) 37.12 11.15
Aqueous species molality mg/kg sol'n act. coef. log act.
------------------------------------------------------------------------------------------
NH4+ 0.03466 623.5 0.8218 -1.5453
NH3(aq) 0.03166 537.7 1.0000 -1.4995
Cl- 0.01925 680.6 0.8264 -1.7983
HCO3- 0.008796 535.2 0.8349 -2.1341
CO3-- 0.004643 277.8 0.4897 -2.6433
Na+ 0.002557 58.62 0.8349 -2.6707
N2(aq) 0.002210 61.73 1.0000 -2.6557
K+ 0.0001369 5.337 0.8264 -3.9464
NaCO3- 3.746e-05 3.100 0.8349 -4.5049
NaHCO3(aq) 3.703e-05 3.102 1.0000 -4.4314
OH- 1.801e-05 0.3054 0.8307 -4.8251
Mg++ 1.800e-05 0.4362 0.5463 -5.0074
MgCO3(aq) 1.712e-05 1.439 1.0000 -4.7665
NaCl(aq) 5.039e-06 0.2937 1.0000 -5.2976
Acetate 4.175e-06 0.2458 0.8388 -5.4556
HS- 3.036e-06 0.1001 0.8307 -5.5983
CO2(aq) 2.146e-06 0.09418 1.0000 -5.6684
SiO2(aq) 1.145e-06 0.06858 1.0000 -5.9414
MgHCO3+ 1.039e-06 0.08841 0.8349 -6.0617
HSiO3- 8.483e-07 0.06522 0.8349 -6.1498
Ni(NH3)2++ 4.942e-07 0.04571 0.4897 -6.6161
Ethane(aq) 3.204e-07 0.009609 1.0000 -6.4942
Formate 2.424e-07 0.01088 0.8307 -6.6961
NH4CH3COO(aq) 1.698e-07 0.01305 1.0000 -6.7700
MgCl+ 1.672e-07 0.009963 0.8349 -6.8552
AlO2- 1.326e-07 0.007801 0.8349 -6.9557
NaHSiO3(aq) 1.227e-07 0.01224 1.0000 -6.9112
Acetamide(aq) 1.201e-07 0.007072 1.0000 -6.9206
CaCO3(aq) 8.525e-08 0.008509 1.0000 -7.0693
Ca++ 5.492e-08 0.002195 0.5155 -7.5480
KCl(aq) 3.512e-08 0.002611 1.0000 -7.4545
Ni(NH3)6++ 1.645e-08 0.002639 0.4897 -8.0938
Fe++ 1.368e-08 0.0007617 0.5155 -8.1518
Urea(aq) 1.012e-08 0.0006062 1.0000 -7.9947
(only species > 1e-8 molal listed)
Mineral saturation states log Q/K log Q/K
-----------------------------------------------------------------------------------------------
Polydymite 16.4623s/sat Boehmite -0.6415
Heazlewoodite 11.7825s/sat Chrysotile -0.6439
Vaesite 3.9460s/sat Gibbsite -0.6548
Millerite 3.6626s/sat Greenalite -0.7681
Pyrite 2.8085s/sat Clinochlore-14A -1.0003
C 2.1179s/sat Talc -1.2096
Antigorite 0.8339s/sat Quartz -1.3095
Phlogopite 0.6411s/sat Saponite-H -1.4231
Troilite 0.1079s/sat Tridymite -1.5159
Pyrrhotite 0.0000 sat Chalcedony -1.6055
Saponite-Mg 0.0000 sat Dawsonite -1.6481
Cronstedtite-7A 0.0000 sat Dolomite-dis -1.7407
Magnesite 0.0000 sat Calcite -1.7929
Dolomite-ord 0.0000 sat Celadonite -1.8887
Saponite-K 0.0000 sat Cristobalite(alpha) -1.9201
Saponite-Na 0.0000 sat Aragonite -1.9387
Annite 0.0000 sat Ferrosilite -2.1284
Magnetite 0.0000 sat Coesite -2.1891
Ni2SiO4 0.0000 sat Cristobalite(beta) -2.4401
Dolomite -0.0001 Monohydrocalcite -2.5788
Ice -0.0470 Muscovite -2.6127
Diaspore -0.1933 Maximum_Microcline -2.7102
Daphnite-14A -0.2326 K-Feldspar -2.7146
Trevorite -0.2977 Minnesotaite -2.7792
Hematite -0.3200 SiO2(am) -2.8174
Ripidolite-14A -0.3730 Ni -2.8371
Saponite-Ca -0.4111 Brucite -2.8679
Siderite -0.4623 Chamosite-7A -2.8908
Goethite -0.6148 Bunsenite -2.9661
(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
N2(g) 2.078 2.077 0.9995 0.3173
H2O(g) 0.005489 0.005026 0.9156 -2.2988
NH3(g) 0.0001356 0.0001340 0.9882 -3.8728
CO2(g) 2.696e-05 2.677e-05 0.9932 -4.5723
H2(g) 7.967e-06 7.974e-06 1.001 -5.0984
H2S(g) 2.340e-08 2.317e-08 0.9900 -7.6351
CO(g) 7.562e-14 7.562e-14 1.000* -13.1213
C2H4(g) 1.815e-19 1.815e-19 1.000* -18.7411
HCl(g) 4.083e-20 4.083e-20 1.000* -19.3890
S2(g) 3.631e-34 3.631e-34 1.000* -33.4400
SO2(g) 3.362e-34 3.290e-34 0.9786 -33.4828
NO(g) 5.449e-58 5.449e-58 1.000* -57.2637
Na(g) 8.889e-61 8.889e-61 1.000* -60.0512
K(g) 1.168e-62 1.168e-62 1.000* -61.9326
Cl2(g) 9.466e-71 9.466e-71 1.000* -70.0238
O2(g) 8.216e-83 8.208e-83 0.9990 -82.0858
NO2(g) 1.323e-91 1.323e-91 1.000* -90.8784
Mg(g) 1.130e-99 1.130e-99 1.000* -98.9470
Ca(g) 9.026e-127 9.026e-127 1.000* -126.0445
C(g) 1.073e-127 1.073e-127 1.000* -126.9692
Al(g) 1.145e-149 1.145e-149 1.000* -148.9411
Si(g) 8.189e-163 8.189e-163 1.000* -162.0868
*no data, gas taken to be ideal
In fluid Sorbed
Original basis total moles moles mg/kg moles mg/kg
-------------------------------------------------------------------------------------------------
H2O 5.273 4.971 9.971e+05
Al+++ 0.01554 1.189e-08 0.003572
Ca++ 0.01056 1.284e-08 0.005731
Cl- 0.001725 0.001725 680.8
Fe++ 0.1576 1.234e-09 0.0007670
H+ -0.5487 0.002683 30.11
HCO3- 0.05737 0.001213 824.0
HPO4-- 9.369e-13 9.369e-13 1.001e-06
K+ 0.0007644 1.226e-05 5.339
Mg++ 0.1864 3.253e-06 0.8804
Mn++ 1.637e-12 1.637e-12 1.001e-06
NH3(aq) 0.006336 0.006336 1201.
Na+ 0.01123 0.0002361 60.44
Ni++ 0.007926 4.587e-08 0.02997
O2(aq) -0.1645 0.0002954 105.2
SO4-- 0.08782 2.725e-07 0.2914
SiO2(aq) 0.1785 1.895e-07 0.1268
In fluid Sorbed
Elemental composition total moles moles mg/kg moles mg/kg
-------------------------------------------------------------------------------------------------
Aluminum 0.01554 1.189e-08 0.003572
Calcium 0.01056 1.284e-08 0.005731
Carbon 0.05737 0.001213 162.2
Chlorine 0.001725 0.001725 680.8
Hydrogen 10.07 9.965 1.118e+05
Iron 0.1576 1.234e-09 0.0007670
Magnesium 0.1864 3.253e-06 0.8804
Manganese 1.637e-12 1.637e-12 1.001e-06
Nickel 0.007926 4.587e-08 0.02997
Nitrogen 0.006336 0.006336 988.1
Oxygen 5.824 4.975 8.863e+05
Phosphorus 9.369e-13 9.369e-13 3.231e-07
Potassium 0.0007644 1.226e-05 5.339
Silicon 0.1785 1.895e-07 0.05925
Sodium 0.01123 0.0002361 60.44
Sulfur 0.08782 2.725e-07 0.09727
Step # 565 Xi = 0.5000
Temperature = 0.0 C Pressure = 1.013 bar
pH = 10.174 log fO2 = -82.086
Eh = -0.4300 volts pe = -7.9344
Ionic strength = 0.048607 molal
Activity of water = 0.999333
Solvent mass = 0.089463 kg
Solution mass = 0.089756 kg
Mineral mass = 0.046440 kg
Fluid density = 1.002 g/cm3
compressibility = 4.824e-05 /bar
expansivity = 7.980e-05 /C
viscosity = 0.018 poise
Chlorinity = 0.019279 molal
Dissolved solids = 3267 mg/kg sol'n
Elect. conductivity = 5269.47 uS/cm (or umho/cm)
Hardness = 3.23 mg/kg sol'n as CaCO3
carbonate = 3.23 mg/kg sol'n as CaCO3
non-carbonate = 0.00 mg/kg sol'n as CaCO3
Carbonate alkalinity= 1149.42 mg/kg sol'n as CaCO3
Water type = NH4-Cl
Bulk volume = 104. cm3
Fluid volume = 89.6 cm3
Mineral volume = 14.0 cm3
Inert volume = 0.00 cm3
Porosity = 86.5 %
Permeability = 0.932 cm2
Mass reacted = 46.3 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.) 0.01256 0.2015 -- --
CO2(aq) 0.05108 0.05108 2.248 -- --
CaO 0.01320 0.01320 0.7400 -- --
FeO 0.1969 0.1969 14.15 2.363 --
Formaldehyde(aq) 0.002995 0.002995 0.08992 -- --
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) 0.005613 0.005613 0.1798 -- --
MgO 0.2330 0.2330 9.390 -- --
MnO 0.000 0.000 0.000 -- --
N2(g) 0.000 0.000 0.000 -- --
NH3(aq) 0.007920 0.007920 0.1349 -- --
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)
-------------------------------------------------------------------------------------------
Annite 0.0003797 -3.421 0.1944 0.05860
Cronstedtite-7A 0.005352 -2.271 2.138 0.8068
Dolomite-ord 0.01320 -1.880 2.433 0.8490
Magnesite 0.04437 -1.353 3.741 1.243
Magnetite 0.02154 -1.667 4.988 0.9592
Ni2SiO4 0.004954 -2.305 1.038 0.2111
Pyrrhotite 0.1098 -0.960 9.650 1.998
Saponite-K 0.001712 -2.767 0.6707 0.2394
Saponite-Mg 0.01408 -1.851 5.392 1.882
Saponite-Na 0.04190 -1.378 16.19 5.728
_____________ _____________
(total) 46.44 13.97
Aqueous species molality mg/kg sol'n act. coef. log act.
------------------------------------------------------------------------------------------
NH3(aq) 0.04121 699.5 1.0000 -1.3850
NH4+ 0.03984 716.2 0.8119 -1.4903
Cl- 0.01927 681.1 0.8170 -1.8028
HCO3- 0.01019 619.5 0.8264 -2.0748
CO3-- 0.006352 379.9 0.4705 -2.5245
N2(aq) 0.003743 104.5 1.0000 -2.4267
Na+ 0.002253 51.63 0.8264 -2.7300
K+ 0.0001208 4.707 0.8170 -4.0058
NaCO3- 4.338e-05 3.589 0.8264 -4.4455
NaHCO3(aq) 3.703e-05 3.101 1.0000 -4.4314
OH- 2.087e-05 0.3537 0.8218 -4.7658
MgCO3(aq) 1.712e-05 1.439 1.0000 -4.7665
Mg++ 1.409e-05 0.3412 0.5309 -5.1262
Acetate 4.833e-06 0.2844 0.8308 -5.3963
NaCl(aq) 4.351e-06 0.2534 1.0000 -5.3615
HS- 3.518e-06 0.1160 0.8218 -5.5389
CO2(aq) 2.146e-06 0.09413 1.0000 -5.6684
SiO2(aq) 1.145e-06 0.06854 1.0000 -5.9414
HSiO3- 9.825e-07 0.07550 0.8264 -6.0904
MgHCO3+ 9.156e-07 0.07786 0.8264 -6.1211
Ni(NH3)2++ 6.630e-07 0.06130 0.4705 -6.5059
Ethane(aq) 3.204e-07 0.009604 1.0000 -6.4942
Formate 2.809e-07 0.01260 0.8218 -6.6367
NH4CH3COO(aq) 2.210e-07 0.01698 1.0000 -6.6555
Acetamide(aq) 1.563e-07 0.009200 1.0000 -6.8061
AlO2- 1.536e-07 0.009031 0.8264 -6.8963
MgCl+ 1.272e-07 0.007575 0.8264 -6.9784
NaHSiO3(aq) 1.227e-07 0.01224 1.0000 -6.9112
CaCO3(aq) 8.525e-08 0.008505 1.0000 -7.0693
Ni(NH3)6++ 6.334e-08 0.01016 0.4705 -7.5258
Ca++ 4.325e-08 0.001728 0.4981 -7.6668
KCl(aq) 3.032e-08 0.002253 1.0000 -7.5183
Urea(aq) 1.715e-08 0.001027 1.0000 -7.7658
Fe++ 1.077e-08 0.0005995 0.4981 -8.2705
(only species > 1e-8 molal listed)
Mineral saturation states log Q/K log Q/K
-----------------------------------------------------------------------------------------------
Polydymite 16.4623s/sat Boehmite -0.6415
Heazlewoodite 11.7825s/sat Chrysotile -0.6439
Vaesite 3.9460s/sat Gibbsite -0.6548
Millerite 3.6626s/sat Greenalite -0.7681
Pyrite 2.8085s/sat Clinochlore-14A -1.0003
C 2.1179s/sat Talc -1.2096
Antigorite 0.8339s/sat Quartz -1.3095
Phlogopite 0.6411s/sat Saponite-H -1.4231
Troilite 0.1079s/sat Tridymite -1.5159
Pyrrhotite 0.0000 sat Chalcedony -1.6055
Saponite-Mg 0.0000 sat Dawsonite -1.6481
Cronstedtite-7A 0.0000 sat Dolomite-dis -1.7407
Magnesite 0.0000 sat Calcite -1.7929
Dolomite-ord 0.0000 sat Celadonite -1.8887
Saponite-K 0.0000 sat Cristobalite(alpha) -1.9201
Saponite-Na 0.0000 sat Aragonite -1.9387
Annite 0.0000 sat Ferrosilite -2.1284
Magnetite 0.0000 sat Coesite -2.1891
Ni2SiO4 0.0000 sat Cristobalite(beta) -2.4401
Dolomite -0.0001 Monohydrocalcite -2.5788
Ice -0.0470 Muscovite -2.6127
Diaspore -0.1933 Maximum_Microcline -2.7102
Daphnite-14A -0.2326 K-Feldspar -2.7146
Trevorite -0.2977 Minnesotaite -2.7792
Hematite -0.3200 SiO2(am) -2.8174
Ripidolite-14A -0.3731 Ni -2.8371
Saponite-Ca -0.4111 Brucite -2.8679
Siderite -0.4623 Chamosite-7A -2.8908
Goethite -0.6148 Bunsenite -2.9661
(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
N2(g) 3.519 3.518 0.9995 0.5463
H2O(g) 0.005489 0.005026 0.9156 -2.2988
NH3(g) 0.0001765 0.0001744 0.9882 -3.7583
CO2(g) 2.696e-05 2.677e-05 0.9932 -4.5723
H2(g) 7.967e-06 7.974e-06 1.001 -5.0984
H2S(g) 2.340e-08 2.317e-08 0.9900 -7.6351
CO(g) 7.562e-14 7.562e-14 1.000* -13.1213
C2H4(g) 1.815e-19 1.815e-19 1.000* -18.7411
HCl(g) 3.525e-20 3.525e-20 1.000* -19.4528
S2(g) 3.631e-34 3.631e-34 1.000* -33.4400
SO2(g) 3.362e-34 3.290e-34 0.9786 -33.4828
NO(g) 7.092e-58 7.092e-58 1.000* -57.1492
Na(g) 8.889e-61 8.889e-61 1.000* -60.0512
K(g) 1.168e-62 1.168e-62 1.000* -61.9326
Cl2(g) 7.055e-71 7.055e-71 1.000* -70.1515
O2(g) 8.216e-83 8.208e-83 0.9990 -82.0858
NO2(g) 1.722e-91 1.722e-91 1.000* -90.7639
Mg(g) 1.130e-99 1.130e-99 1.000* -98.9470
Ca(g) 9.026e-127 9.026e-127 1.000* -126.0445
C(g) 1.073e-127 1.073e-127 1.000* -126.9692
Al(g) 1.145e-149 1.145e-149 1.000* -148.9412
Si(g) 8.189e-163 8.189e-163 1.000* -162.0868
*no data, gas taken to be ideal
In fluid Sorbed
Original basis total moles moles mg/kg moles mg/kg
-------------------------------------------------------------------------------------------------
H2O 5.343 4.965 9.965e+05
Al+++ 0.01942 1.376e-08 0.004135
Ca++ 0.01320 1.175e-08 0.005246
Cl- 0.001725 0.001725 681.3
Fe++ 0.1969 9.700e-10 0.0006036
H+ -0.6858 0.002989 33.57
HCO3- 0.07225 0.001490 1013.
HPO4-- 9.369e-13 9.369e-13 1.002e-06
K+ 0.0009555 1.081e-05 4.708
Mg++ 0.2330 2.885e-06 0.7813
Mn++ 1.637e-12 1.637e-12 1.002e-06
NH3(aq) 0.007920 0.007920 1503.
Na+ 0.01404 0.0002092 53.57
Ni++ 0.009908 6.509e-08 0.04256
O2(aq) -0.2056 0.0005007 178.5
SO4-- 0.1098 3.153e-07 0.3375
SiO2(aq) 0.2232 2.013e-07 0.1347
In fluid Sorbed
Elemental composition total moles moles mg/kg moles mg/kg
-------------------------------------------------------------------------------------------------
Aluminum 0.01942 1.376e-08 0.004135
Calcium 0.01320 1.175e-08 0.005246
Carbon 0.07225 0.001490 199.3
Chlorine 0.001725 0.001725 681.3
Hydrogen 10.10 9.958 1.118e+05
Iron 0.1969 9.700e-10 0.0006036
Magnesium 0.2330 2.885e-06 0.7813
Manganese 1.637e-12 1.637e-12 1.002e-06
Nickel 0.009908 6.509e-08 0.04256
Nitrogen 0.007920 0.007920 1236.
Oxygen 6.034 4.970 8.860e+05
Phosphorus 9.369e-13 9.369e-13 3.233e-07
Potassium 0.0009555 1.081e-05 4.708
Silicon 0.2232 2.013e-07 0.06298
Sodium 0.01404 0.0002092 53.57
Sulfur 0.1098 3.153e-07 0.1127
Step # 665 Xi = 0.6000
Temperature = 0.0 C Pressure = 1.013 bar
pH = 10.218 log fO2 = -82.086
Eh = -0.4324 volts pe = -7.9780
Ionic strength = 0.054865 molal
Activity of water = 0.999333
Solvent mass = 0.089364 kg
Solution mass = 0.089699 kg
Mineral mass = 0.055759 kg
Fluid density = 1.003 g/cm3
compressibility = 4.824e-05 /bar
expansivity = 7.975e-05 /C
viscosity = 0.018 poise
Chlorinity = 0.019300 molal
Dissolved solids = 3730 mg/kg sol'n
Elect. conductivity = 5763.56 uS/cm (or umho/cm)
Hardness = 2.99 mg/kg sol'n as CaCO3
carbonate = 2.99 mg/kg sol'n as CaCO3
non-carbonate = 0.00 mg/kg sol'n as CaCO3
Carbonate alkalinity= 1376.08 mg/kg sol'n as CaCO3
Water type = NH4-Cl
Bulk volume = 106. cm3
Fluid volume = 89.5 cm3
Mineral volume = 16.8 cm3
Inert volume = 0.00 cm3
Porosity = 84.2 %
Permeability = 0.419 cm2
Mass reacted = 55.5 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.) 0.01548 0.2484 -- --
CO2(aq) 0.04086 0.06130 2.698 -- --
CaO 0.01056 0.01584 0.8880 -- --
FeO 0.1576 0.2363 16.98 2.836 --
Formaldehyde(aq) 0.002396 0.003594 0.1079 -- --
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) 0.004490 0.006735 0.2158 -- --
MgO 0.1864 0.2796 11.27 -- --
MnO 0.000 0.000 0.000 -- --
N2(g) 0.000 0.000 0.000 -- --
NH3(aq) 0.006336 0.009504 0.1619 -- --
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)
-------------------------------------------------------------------------------------------
Annite 0.0005017 -3.300 0.2568 0.07743
Cronstedtite-7A 0.006796 -2.168 2.715 1.025
Dolomite-ord 0.01584 -1.800 2.920 1.019
Magnesite 0.05369 -1.270 4.527 1.504
Magnetite 0.02531 -1.597 5.859 1.127
Ni2SiO4 0.005945 -2.226 1.245 0.2533
Pyrrhotite 0.1317 -0.880 11.58 2.397
Saponite-K 0.001924 -2.716 0.7539 0.2691
Saponite-Mg 0.01671 -1.777 6.398 2.233
Saponite-Na 0.05046 -1.297 19.50 6.898
_____________ _____________
(total) 55.76 16.80
Aqueous species molality mg/kg sol'n act. coef. log act.
------------------------------------------------------------------------------------------
NH3(aq) 0.05049 856.6 1.0000 -1.2968
NH4+ 0.04462 801.9 0.8033 -1.4456
Cl- 0.01930 681.6 0.8089 -1.8066
HCO3- 0.01136 690.6 0.8192 -2.0312
CO3-- 0.008037 480.5 0.4544 -2.4374
N2(aq) 0.005620 156.8 1.0000 -2.2503
Na+ 0.002056 47.09 0.8192 -2.7736
K+ 0.0001103 4.298 0.8089 -4.0494
NaCO3- 4.838e-05 4.001 0.8192 -4.4019
NaHCO3(aq) 3.703e-05 3.099 1.0000 -4.4314
OH- 2.328e-05 0.3945 0.8142 -4.7222
MgCO3(aq) 1.712e-05 1.438 1.0000 -4.7665
Mg++ 1.181e-05 0.2859 0.5183 -5.2133
Acetate 5.388e-06 0.3169 0.8240 -5.3527
HS- 3.926e-06 0.1294 0.8142 -5.4954
NaCl(aq) 3.901e-06 0.2271 1.0000 -5.4088
CO2(aq) 2.146e-06 0.09409 1.0000 -5.6684
SiO2(aq) 1.145e-06 0.06851 1.0000 -5.9414
HSiO3- 1.096e-06 0.08416 0.8192 -6.0469
Ni(NH3)2++ 8.433e-07 0.07792 0.4544 -6.4166
MgHCO3+ 8.355e-07 0.07102 0.8192 -6.1647
Ethane(aq) 3.204e-07 0.009600 1.0000 -6.4942
Formate 3.134e-07 0.01406 0.8142 -6.5932
NH4CH3COO(aq) 2.708e-07 0.02080 1.0000 -6.5673
Acetamide(aq) 1.915e-07 0.01127 1.0000 -6.7179
Ni(NH3)6++ 1.816e-07 0.02910 0.4544 -7.0835
AlO2- 1.713e-07 0.01007 0.8192 -6.8528
NaHSiO3(aq) 1.227e-07 0.01223 1.0000 -6.9112
MgCl+ 1.041e-07 0.006195 0.8192 -7.0693
CaCO3(aq) 8.525e-08 0.008501 1.0000 -7.0693
Ca++ 3.645e-08 0.001455 0.4836 -7.7539
KCl(aq) 2.718e-08 0.002019 1.0000 -7.5657
Urea(aq) 2.575e-08 0.001540 1.0000 -7.5893
(only species > 1e-8 molal listed)
Mineral saturation states log Q/K log Q/K
-----------------------------------------------------------------------------------------------
Polydymite 16.4623s/sat Chrysotile -0.6439
Heazlewoodite 11.7825s/sat Gibbsite -0.6548
Vaesite 3.9460s/sat Greenalite -0.7681
Millerite 3.6626s/sat Clinochlore-14A -1.0003
Pyrite 2.8085s/sat Talc -1.2096
C 2.1179s/sat Quartz -1.3095
Antigorite 0.8338s/sat Saponite-H -1.4231
Phlogopite 0.6411s/sat Tridymite -1.5159
Troilite 0.1079s/sat Chalcedony -1.6055
Saponite-Na 0.0000 sat Dawsonite -1.6481
Ni2SiO4 0.0000 sat Dolomite-dis -1.7407
Cronstedtite-7A 0.0000 sat Calcite -1.7929
Magnesite 0.0000 sat Celadonite -1.8887
Dolomite-ord 0.0000 sat Cristobalite(alpha) -1.9201
Saponite-K 0.0000 sat Aragonite -1.9387
Saponite-Mg 0.0000 sat Ferrosilite -2.1284
Pyrrhotite 0.0000 sat Coesite -2.1891
Annite 0.0000 sat Cristobalite(beta) -2.4401
Magnetite 0.0000 sat Monohydrocalcite -2.5788
Dolomite -0.0001 Muscovite -2.6127
Ice -0.0470 Maximum_Microcline -2.7102
Diaspore -0.1933 K-Feldspar -2.7146
Daphnite-14A -0.2326 Minnesotaite -2.7792
Trevorite -0.2977 SiO2(am) -2.8174
Hematite -0.3200 Ni -2.8371
Ripidolite-14A -0.3731 Brucite -2.8679
Saponite-Ca -0.4111 Chamosite-7A -2.8908
Siderite -0.4623 Bunsenite -2.9661
Goethite -0.6148 Rhodochrosite -2.9874
Boehmite -0.6415
(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
N2(g) 5.284 5.281 0.9995 0.7227
H2O(g) 0.005489 0.005026 0.9156 -2.2988
NH3(g) 0.0002163 0.0002137 0.9882 -3.6701
CO2(g) 2.696e-05 2.677e-05 0.9932 -4.5723
H2(g) 7.967e-06 7.974e-06 1.001 -5.0984
H2S(g) 2.340e-08 2.317e-08 0.9900 -7.6351
CO(g) 7.562e-14 7.562e-14 1.000* -13.1213
C2H4(g) 1.815e-19 1.815e-19 1.000* -18.7411
HCl(g) 3.161e-20 3.161e-20 1.000* -19.5002
S2(g) 3.631e-34 3.631e-34 1.000* -33.4400
SO2(g) 3.362e-34 3.290e-34 0.9786 -33.4828
NO(g) 8.690e-58 8.690e-58 1.000* -57.0610
Na(g) 8.889e-61 8.889e-61 1.000* -60.0512
K(g) 1.168e-62 1.168e-62 1.000* -61.9326
Cl2(g) 5.672e-71 5.672e-71 1.000* -70.2463
O2(g) 8.216e-83 8.208e-83 0.9990 -82.0858
NO2(g) 2.110e-91 2.110e-91 1.000* -90.6757
Mg(g) 1.130e-99 1.130e-99 1.000* -98.9470
Ca(g) 9.026e-127 9.026e-127 1.000* -126.0445
C(g) 1.073e-127 1.073e-127 1.000* -126.9692
Al(g) 1.145e-149 1.145e-149 1.000* -148.9412
Si(g) 8.189e-163 8.189e-163 1.000* -162.0868
*no data, gas taken to be ideal
In fluid Sorbed
Original basis total moles moles mg/kg moles mg/kg
-------------------------------------------------------------------------------------------------
H2O 5.413 4.959 9.960e+05
Al+++ 0.02330 1.532e-08 0.004609
Ca++ 0.01584 1.110e-08 0.004962
Cl- 0.001725 0.001725 681.7
Fe++ 0.2363 8.164e-10 0.0005083
H+ -0.8229 0.003262 36.66
HCO3- 0.08711 0.001744 1186.
HPO4-- 9.369e-13 9.369e-13 1.002e-06
K+ 0.001147 9.863e-06 4.299
Mg++ 0.2796 2.669e-06 0.7232
Mn++ 1.637e-12 1.637e-12 1.002e-06
NH3(aq) 0.009504 0.009504 1804.
Na+ 0.01684 0.0001917 49.14
Ni++ 0.01189 9.167e-08 0.05998
O2(aq) -0.2467 0.0007515 268.1
SO4-- 0.1317 3.515e-07 0.3764
SiO2(aq) 0.2678 2.112e-07 0.1415
In fluid Sorbed
Elemental composition total moles moles mg/kg moles mg/kg
-------------------------------------------------------------------------------------------------
Aluminum 0.02330 1.532e-08 0.004609
Calcium 0.01584 1.110e-08 0.004962
Carbon 0.08711 0.001744 233.5
Chlorine 0.001725 0.001725 681.7
Hydrogen 10.12 9.951 1.118e+05
Iron 0.2363 8.164e-10 0.0005083
Magnesium 0.2796 2.669e-06 0.7232
Manganese 1.637e-12 1.637e-12 1.002e-06
Nickel 0.01189 9.167e-08 0.05998
Nitrogen 0.009504 0.009504 1484.
Oxygen 6.243 4.966 8.857e+05
Phosphorus 9.369e-13 9.369e-13 3.235e-07
Potassium 0.001147 9.863e-06 4.299
Silicon 0.2678 2.112e-07 0.06612
Sodium 0.01684 0.0001917 49.14
Sulfur 0.1317 3.515e-07 0.1256
Step # 765 Xi = 0.7000
Temperature = 0.0 C Pressure = 1.013 bar
pH = 10.252 log fO2 = -82.086
Eh = -0.4342 volts pe = -8.0118
Ionic strength = 0.060841 molal
Activity of water = 0.999332
Solvent mass = 0.089266 kg
Solution mass = 0.089641 kg
Mineral mass = 0.065078 kg
Fluid density = 1.003 g/cm3
compressibility = 4.824e-05 /bar
expansivity = 7.970e-05 /C
viscosity = 0.018 poise
Chlorinity = 0.019321 molal
Dissolved solids = 4180 mg/kg sol'n
Elect. conductivity = 6225.98 uS/cm (or umho/cm)
Hardness = 2.83 mg/kg sol'n as CaCO3
carbonate = 2.83 mg/kg sol'n as CaCO3
non-carbonate = 0.00 mg/kg sol'n as CaCO3
Carbonate alkalinity= 1590.46 mg/kg sol'n as CaCO3
Water type = NH4-CO3
Bulk volume = 109. cm3
Fluid volume = 89.4 cm3
Mineral volume = 19.6 cm3
Inert volume = 0.00 cm3
Porosity = 82.0 %
Permeability = 0.196 cm2
Mass reacted = 64.8 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.) 0.01838 0.2949 -- --
CO2(aq) 0.03065 0.07151 3.147 -- --
CaO 0.007918 0.01847 1.036 -- --
FeO 0.1182 0.2757 19.81 3.309 --
Formaldehyde(aq) 0.001797 0.004193 0.1259 -- --
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) 0.003368 0.007858 0.2518 -- --
MgO 0.1398 0.3262 13.15 -- --
MnO 0.000 0.000 0.000 -- --
N2(g) 0.000 0.000 0.000 -- --
NH3(aq) 0.004752 0.01109 0.1888 -- --
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)
-------------------------------------------------------------------------------------------
Annite 0.0006239 -3.205 0.3193 0.09628
Cronstedtite-7A 0.008242 -2.084 3.293 1.243
Dolomite-ord 0.01847 -1.733 3.407 1.189
Magnesite 0.06302 -1.201 5.313 1.766
Magnetite 0.02907 -1.537 6.730 1.294
Ni2SiO4 0.006935 -2.159 1.453 0.2955
Pyrrhotite 0.1537 -0.813 13.51 2.797
Saponite-K 0.002135 -2.671 0.8365 0.2986
Saponite-Mg 0.01935 -1.713 7.410 2.587
Saponite-Na 0.05901 -1.229 22.81 8.066
_____________ _____________
(total) 65.08 19.63
Aqueous species molality mg/kg sol'n act. coef. log act.
------------------------------------------------------------------------------------------
NH3(aq) 0.05950 1009. 1.0000 -1.2255
NH4+ 0.04910 882.0 0.7958 -1.4081
Cl- 0.01932 682.0 0.8018 -1.8100
HCO3- 0.01238 752.0 0.8129 -1.9974
CO3-- 0.009682 578.6 0.4408 -2.3698
N2(aq) 0.007805 217.7 1.0000 -2.1077
Na+ 0.001917 43.88 0.8129 -2.8074
K+ 0.0001030 4.009 0.8018 -4.0832
NaCO3- 5.270e-05 4.356 0.8129 -4.3681
NaHCO3(aq) 3.703e-05 3.098 1.0000 -4.4314
OH- 2.538e-05 0.4298 0.8075 -4.6884
MgCO3(aq) 1.712e-05 1.437 1.0000 -4.7665
Mg++ 1.032e-05 0.2497 0.5076 -5.2809
Acetate 5.866e-06 0.3449 0.8180 -5.3189
HS- 4.278e-06 0.1409 0.8075 -5.4616
NaCl(aq) 3.581e-06 0.2084 1.0000 -5.4460
CO2(aq) 2.146e-06 0.09405 1.0000 -5.6684
HSiO3- 1.194e-06 0.09164 0.8129 -6.0131
SiO2(aq) 1.145e-06 0.06848 1.0000 -5.9414
Ni(NH3)2++ 1.033e-06 0.09542 0.4408 -6.3416
MgHCO3+ 7.789e-07 0.06618 0.8129 -6.1985
Ni(NH3)6++ 4.290e-07 0.06872 0.4408 -6.7233
Formate 3.416e-07 0.01531 0.8075 -6.5593
Ethane(aq) 3.204e-07 0.009595 1.0000 -6.4942
NH4CH3COO(aq) 3.192e-07 0.02450 1.0000 -6.4960
Acetamide(aq) 2.256e-07 0.01327 1.0000 -6.6466
AlO2- 1.866e-07 0.01096 0.8129 -6.8190
NaHSiO3(aq) 1.227e-07 0.01223 1.0000 -6.9112
MgCl+ 8.906e-08 0.005300 0.8129 -7.1403
CaCO3(aq) 8.525e-08 0.008497 1.0000 -7.0693
Urea(aq) 3.575e-08 0.002138 1.0000 -7.4467
Ca++ 3.200e-08 0.001277 0.4713 -7.8215
KCl(aq) 2.496e-08 0.001853 1.0000 -7.6028
(only species > 1e-8 molal listed)
Mineral saturation states log Q/K log Q/K
-----------------------------------------------------------------------------------------------
Polydymite 16.4623s/sat Chrysotile -0.6439
Heazlewoodite 11.7825s/sat Gibbsite -0.6548
Vaesite 3.9460s/sat Greenalite -0.7681
Millerite 3.6626s/sat Clinochlore-14A -1.0003
Pyrite 2.8085s/sat Talc -1.2096
C 2.1179s/sat Quartz -1.3095
Antigorite 0.8338s/sat Saponite-H -1.4231
Phlogopite 0.6411s/sat Tridymite -1.5159
Troilite 0.1079s/sat Chalcedony -1.6055
Saponite-Na 0.0000 sat Dawsonite -1.6481
Ni2SiO4 0.0000 sat Dolomite-dis -1.7407
Cronstedtite-7A 0.0000 sat Calcite -1.7929
Magnesite 0.0000 sat Celadonite -1.8887
Dolomite-ord 0.0000 sat Cristobalite(alpha) -1.9201
Saponite-K 0.0000 sat Aragonite -1.9387
Saponite-Mg 0.0000 sat Ferrosilite -2.1284
Pyrrhotite 0.0000 sat Coesite -2.1891
Annite 0.0000 sat Cristobalite(beta) -2.4401
Magnetite 0.0000 sat Monohydrocalcite -2.5788
Dolomite -0.0001 Muscovite -2.6127
Ice -0.0470 Maximum_Microcline -2.7102
Diaspore -0.1933 K-Feldspar -2.7146
Daphnite-14A -0.2327 Minnesotaite -2.7792
Trevorite -0.2977 SiO2(am) -2.8174
Hematite -0.3200 Ni -2.8371
Ripidolite-14A -0.3731 Brucite -2.8679
Saponite-Ca -0.4111 Chamosite-7A -2.8908
Siderite -0.4623 Rhodochrosite -2.9304
Goethite -0.6148 Bunsenite -2.9661
Boehmite -0.6415
(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
N2(g) 7.338 7.334 0.9995 0.8653
H2O(g) 0.005489 0.005026 0.9156 -2.2988
NH3(g) 0.0002549 0.0002519 0.9882 -3.5988
CO2(g) 2.696e-05 2.677e-05 0.9932 -4.5723
H2(g) 7.967e-06 7.974e-06 1.001 -5.0984
H2S(g) 2.340e-08 2.317e-08 0.9900 -7.6351
CO(g) 7.562e-14 7.562e-14 1.000* -13.1213
C2H4(g) 1.815e-19 1.815e-19 1.000* -18.7411
HCl(g) 2.902e-20 2.902e-20 1.000* -19.5373
S2(g) 3.631e-34 3.631e-34 1.000* -33.4400
SO2(g) 3.362e-34 3.290e-34 0.9786 -33.4828
NO(g) 1.024e-57 1.024e-57 1.000* -56.9897
Na(g) 8.889e-61 8.889e-61 1.000* -60.0512
K(g) 1.168e-62 1.168e-62 1.000* -61.9326
Cl2(g) 4.780e-71 4.780e-71 1.000* -70.3205
O2(g) 8.216e-83 8.208e-83 0.9990 -82.0858
NO2(g) 2.487e-91 2.487e-91 1.000* -90.6044
Mg(g) 1.130e-99 1.130e-99 1.000* -98.9470
Ca(g) 9.026e-127 9.026e-127 1.000* -126.0445
C(g) 1.073e-127 1.073e-127 1.000* -126.9692
Al(g) 1.145e-149 1.145e-149 1.000* -148.9412
Si(g) 8.189e-163 8.189e-163 1.000* -162.0868
*no data, gas taken to be ideal
In fluid Sorbed
Original basis total moles moles mg/kg moles mg/kg
-------------------------------------------------------------------------------------------------
H2O 5.482 4.953 9.954e+05
Al+++ 0.02719 1.667e-08 0.005018
Ca++ 0.01847 1.068e-08 0.004775
Cl- 0.001725 0.001725 682.1
Fe++ 0.2757 7.160e-10 0.0004461
H+ -0.9600 0.003512 39.48
HCO3- 0.1019 0.001980 1348.
HPO4-- 9.369e-13 9.369e-13 1.003e-06
K+ 0.001338 9.194e-06 4.010
Mg++ 0.3262 2.527e-06 0.6851
Mn++ 1.637e-12 1.637e-12 1.003e-06
NH3(aq) 0.01109 0.01109 2107.
Na+ 0.01965 0.0001794 46.02
Ni++ 0.01387 1.306e-07 0.08550
O2(aq) -0.2877 0.001043 372.3
SO4-- 0.1537 3.826e-07 0.4100
SiO2(aq) 0.3125 2.197e-07 0.1472
In fluid Sorbed
Elemental composition total moles moles mg/kg moles mg/kg
-------------------------------------------------------------------------------------------------
Aluminum 0.02719 1.667e-08 0.005018
Calcium 0.01847 1.068e-08 0.004775
Carbon 0.1019 0.001980 265.3
Chlorine 0.001725 0.001725 682.1
Hydrogen 10.14 9.945 1.118e+05
Iron 0.2757 7.160e-10 0.0004461
Magnesium 0.3262 2.527e-06 0.6851
Manganese 1.637e-12 1.637e-12 1.003e-06
Nickel 0.01387 1.306e-07 0.08550
Nitrogen 0.01109 0.01109 1733.
Oxygen 6.452 4.961 8.855e+05
Phosphorus 9.369e-13 9.369e-13 3.237e-07
Potassium 0.001338 9.194e-06 4.010
Silicon 0.3125 2.197e-07 0.06883
Sodium 0.01965 0.0001794 46.02
Sulfur 0.1537 3.826e-07 0.1369
Step # 865 Xi = 0.8000
Temperature = 0.0 C Pressure = 1.013 bar
pH = 10.279 log fO2 = -82.086
Eh = -0.4357 volts pe = -8.0391
Ionic strength = 0.066555 molal
Activity of water = 0.999331
Solvent mass = 0.089170 kg
Solution mass = 0.089583 kg
Mineral mass = 0.074396 kg
Fluid density = 1.003 g/cm3
compressibility = 4.823e-05 /bar
expansivity = 7.966e-05 /C
viscosity = 0.018 poise
Chlorinity = 0.019342 molal
Dissolved solids = 4619 mg/kg sol'n
Elect. conductivity = 6661.06 uS/cm (or umho/cm)
Hardness = 2.72 mg/kg sol'n as CaCO3
carbonate = 2.72 mg/kg sol'n as CaCO3
non-carbonate = 0.00 mg/kg sol'n as CaCO3
Carbonate alkalinity= 1793.92 mg/kg sol'n as CaCO3
Water type = NH4-CO3
Bulk volume = 112. cm3
Fluid volume = 89.3 cm3
Mineral volume = 22.5 cm3
Inert volume = 0.00 cm3
Porosity = 79.9 %
Permeability = 0.0955 cm2
Mass reacted = 74.1 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.) 0.02126 0.3411 -- --
CO2(aq) 0.02043 0.08173 3.597 -- --
CaO 0.005278 0.02111 1.184 -- --
FeO 0.07878 0.3151 22.64 3.781 --
Formaldehyde(aq) 0.001198 0.004792 0.1439 -- --
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) 0.002245 0.008980 0.2878 -- --
MgO 0.09319 0.3728 15.02 -- --
MnO 0.000 0.000 0.000 -- --
N2(g) 0.000 0.000 0.000 -- --
NH3(aq) 0.003168 0.01267 0.2158 -- --
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)
-------------------------------------------------------------------------------------------
Annite 0.0007459 -3.127 0.3818 0.1151
Cronstedtite-7A 0.009686 -2.014 3.870 1.460
Dolomite-ord 0.02111 -1.675 3.893 1.358
Magnesite 0.07234 -1.141 6.099 2.027
Magnetite 0.03283 -1.484 7.602 1.462
Ni2SiO4 0.007926 -2.101 1.660 0.3377
Pyrrhotite 0.1756 -0.755 15.44 3.197
Saponite-K 0.002346 -2.630 0.9192 0.3281
Saponite-Mg 0.02200 -1.657 8.426 2.941
Saponite-Na 0.06754 -1.170 26.10 9.232
_____________ _____________
(total) 74.40 22.46
Aqueous species molality mg/kg sol'n act. coef. log act.
------------------------------------------------------------------------------------------
NH3(aq) 0.06824 1157. 1.0000 -1.1660
NH4+ 0.05333 957.6 0.7892 -1.3759
Cl- 0.01934 682.4 0.7956 -1.8129
HCO3- 0.01327 805.9 0.8074 -1.9701
CO3-- 0.01128 673.8 0.4291 -2.3152
N2(aq) 0.01027 286.3 1.0000 -1.9886
Na+ 0.001812 41.47 0.8074 -2.8347
K+ 9.746e-05 3.793 0.7956 -4.1105
NaCO3- 5.651e-05 4.668 0.8074 -4.3408
NaHCO3(aq) 3.703e-05 3.097 1.0000 -4.4314
OH- 2.722e-05 0.4608 0.8017 -4.6611
MgCO3(aq) 1.712e-05 1.437 1.0000 -4.7665
Mg++ 9.267e-06 0.2242 0.4984 -5.3355
Acetate 6.287e-06 0.3695 0.8128 -5.2916
HS- 4.589e-06 0.1511 0.8017 -5.4342
NaCl(aq) 3.340e-06 0.1943 1.0000 -5.4762
CO2(aq) 2.146e-06 0.09401 1.0000 -5.6684
HSiO3- 1.280e-06 0.09821 0.8074 -5.9858
Ni(NH3)2++ 1.231e-06 0.1137 0.4291 -6.2771
SiO2(aq) 1.145e-06 0.06845 1.0000 -5.9414
Ni(NH3)6++ 8.847e-07 0.1417 0.4291 -6.4207
MgHCO3+ 7.364e-07 0.06254 0.8074 -6.2258
Formate 3.664e-07 0.01642 0.8017 -6.5320
NH4CH3COO(aq) 3.661e-07 0.02809 1.0000 -6.4364
Ethane(aq) 3.204e-07 0.009591 1.0000 -6.4942
Acetamide(aq) 2.588e-07 0.01522 1.0000 -6.5870
AlO2- 2.001e-07 0.01175 0.8074 -6.7917
NaHSiO3(aq) 1.227e-07 0.01222 1.0000 -6.9112
CaCO3(aq) 8.525e-08 0.008493 1.0000 -7.0693
MgCl+ 7.854e-08 0.004672 0.8074 -7.1978
Urea(aq) 4.703e-08 0.002812 1.0000 -7.3276
Ca++ 2.886e-08 0.001151 0.4608 -7.8761
KCl(aq) 2.328e-08 0.001727 1.0000 -7.6331
(only species > 1e-8 molal listed)
Mineral saturation states log Q/K log Q/K
-----------------------------------------------------------------------------------------------
Polydymite 16.4623s/sat Chrysotile -0.6439
Heazlewoodite 11.7825s/sat Gibbsite -0.6548
Vaesite 3.9460s/sat Greenalite -0.7681
Millerite 3.6626s/sat Clinochlore-14A -1.0003
Pyrite 2.8085s/sat Talc -1.2096
C 2.1179s/sat Quartz -1.3095
Antigorite 0.8338s/sat Saponite-H -1.4231
Phlogopite 0.6411s/sat Tridymite -1.5159
Troilite 0.1079s/sat Chalcedony -1.6055
Saponite-Na 0.0000 sat Dawsonite -1.6481
Ni2SiO4 0.0000 sat Dolomite-dis -1.7407
Cronstedtite-7A 0.0000 sat Calcite -1.7929
Magnesite 0.0000 sat Celadonite -1.8887
Saponite-K 0.0000 sat Cristobalite(alpha) -1.9201
Pyrrhotite 0.0000 sat Aragonite -1.9387
Annite 0.0000 sat Ferrosilite -2.1284
Saponite-Mg 0.0000 sat Coesite -2.1891
Dolomite-ord 0.0000 sat Cristobalite(beta) -2.4401
Magnetite 0.0000 sat Monohydrocalcite -2.5788
Dolomite -0.0001 Muscovite -2.6127
Ice -0.0470 Maximum_Microcline -2.7102
Diaspore -0.1933 K-Feldspar -2.7146
Daphnite-14A -0.2327 Minnesotaite -2.7792
Trevorite -0.2977 SiO2(am) -2.8174
Hematite -0.3200 Ni -2.8371
Ripidolite-14A -0.3731 Brucite -2.8679
Saponite-Ca -0.4111 Rhodochrosite -2.8850
Siderite -0.4623 Chamosite-7A -2.8908
Goethite -0.6148 Bunsenite -2.9661
Boehmite -0.6415
(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
N2(g) 9.653 9.648 0.9995 0.9844
H2O(g) 0.005489 0.005026 0.9156 -2.2988
NH3(g) 0.0002924 0.0002889 0.9882 -3.5393
CO2(g) 2.696e-05 2.677e-05 0.9932 -4.5723
H2(g) 7.967e-06 7.973e-06 1.001 -5.0984
H2S(g) 2.340e-08 2.317e-08 0.9900 -7.6351
CO(g) 7.562e-14 7.562e-14 1.000* -13.1213
C2H4(g) 1.815e-19 1.815e-19 1.000* -18.7411
HCl(g) 2.707e-20 2.707e-20 1.000* -19.5676
S2(g) 3.631e-34 3.631e-34 1.000* -33.4400
SO2(g) 3.362e-34 3.290e-34 0.9786 -33.4828
NO(g) 1.175e-57 1.175e-57 1.000* -56.9301
Na(g) 8.889e-61 8.889e-61 1.000* -60.0512
K(g) 1.168e-62 1.168e-62 1.000* -61.9326
Cl2(g) 4.159e-71 4.159e-71 1.000* -70.3810
O2(g) 8.216e-83 8.208e-83 0.9990 -82.0858
NO2(g) 2.852e-91 2.852e-91 1.000* -90.5449
Mg(g) 1.130e-99 1.130e-99 1.000* -98.9470
Ca(g) 9.026e-127 9.026e-127 1.000* -126.0445
C(g) 1.074e-127 1.074e-127 1.000* -126.9692
Al(g) 1.145e-149 1.145e-149 1.000* -148.9412
Si(g) 8.189e-163 8.189e-163 1.000* -162.0868
*no data, gas taken to be ideal
In fluid Sorbed
Original basis total moles moles mg/kg moles mg/kg
-------------------------------------------------------------------------------------------------
H2O 5.552 4.947 9.948e+05
Al+++ 0.03107 1.785e-08 0.005378
Ca++ 0.02111 1.038e-08 0.004642
Cl- 0.001725 0.001725 682.6
Fe++ 0.3151 6.450e-10 0.0004021
H+ -1.097 0.003742 42.10
HCO3- 0.1168 0.002200 1499.
HPO4-- 9.369e-13 9.369e-13 1.004e-06
K+ 0.001529 8.692e-06 3.794
Mg++ 0.3728 2.426e-06 0.6581
Mn++ 1.637e-12 1.637e-12 1.004e-06
NH3(aq) 0.01267 0.01267 2409.
Na+ 0.02246 0.0001702 43.69
Ni++ 0.01585 1.887e-07 0.1237
O2(aq) -0.3286 0.001371 489.7
SO4-- 0.1756 4.100e-07 0.4396
SiO2(aq) 0.3571 2.271e-07 0.1523
In fluid Sorbed
Elemental composition total moles moles mg/kg moles mg/kg
-------------------------------------------------------------------------------------------------
Aluminum 0.03107 1.785e-08 0.005378
Calcium 0.02111 1.038e-08 0.004642
Carbon 0.1168 0.002200 295.0
Chlorine 0.001725 0.001725 682.6
Hydrogen 10.16 9.938 1.118e+05
Iron 0.3151 6.450e-10 0.0004021
Magnesium 0.3728 2.426e-06 0.6581
Manganese 1.637e-12 1.637e-12 1.004e-06
Nickel 0.01585 1.887e-07 0.1237
Nitrogen 0.01267 0.01267 1981.
Oxygen 6.662 4.956 8.852e+05
Phosphorus 9.369e-13 9.369e-13 3.239e-07
Potassium 0.001529 8.692e-06 3.794
Silicon 0.3571 2.271e-07 0.07120
Sodium 0.02246 0.0001702 43.69
Sulfur 0.1756 4.100e-07 0.1467
Step # 965 Xi = 0.9000
Temperature = 0.0 C Pressure = 1.013 bar
pH = 10.302 log fO2 = -82.086
Eh = -0.4369 volts pe = -8.0618
Ionic strength = 0.072032 molal
Activity of water = 0.999331
Solvent mass = 0.089074 kg
Solution mass = 0.089526 kg
Mineral mass = 0.083714 kg
Fluid density = 1.003 g/cm3
compressibility = 4.823e-05 /bar
expansivity = 7.961e-05 /C
viscosity = 0.018 poise
Chlorinity = 0.019363 molal
Dissolved solids = 5049 mg/kg sol'n
Elect. conductivity = 7072.37 uS/cm (or umho/cm)
Hardness = 2.64 mg/kg sol'n as CaCO3
carbonate = 2.64 mg/kg sol'n as CaCO3
non-carbonate = 0.00 mg/kg sol'n as CaCO3
Carbonate alkalinity= 1987.72 mg/kg sol'n as CaCO3
Water type = NH4-CO3
Bulk volume = 115. cm3
Fluid volume = 89.2 cm3
Mineral volume = 25.3 cm3
Inert volume = 0.00 cm3
Porosity = 77.9 %
Permeability = 0.0481 cm2
Mass reacted = 83.3 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.) 0.02413 0.3871 -- --
CO2(aq) 0.01022 0.09195 4.046 -- --
CaO 0.002639 0.02375 1.332 -- --
FeO 0.03939 0.3545 25.47 4.254 --
Formaldehyde(aq) 0.0005990 0.005391 0.1619 -- --
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) 0.001123 0.01010 0.3237 -- --
MgO 0.04660 0.4194 16.90 -- --
MnO 0.000 0.000 0.000 -- --
N2(g) 0.000 0.000 0.000 -- --
NH3(aq) 0.001584 0.01426 0.2428 -- --
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)
-------------------------------------------------------------------------------------------
Annite 0.0008676 -3.062 0.4441 0.1339
Cronstedtite-7A 0.01113 -1.954 4.446 1.678
Dolomite-ord 0.02375 -1.624 4.380 1.528
Magnesite 0.08165 -1.088 6.885 2.288
Magnetite 0.03660 -1.437 8.474 1.630
Ni2SiO4 0.008917 -2.050 1.868 0.3799
Pyrrhotite 0.1976 -0.704 17.37 3.596
Saponite-K 0.002557 -2.592 1.002 0.3576
Saponite-Mg 0.02466 -1.608 9.444 3.297
Saponite-Na 0.07607 -1.119 29.40 10.40
_____________ _____________
(total) 83.71 25.29
Aqueous species molality mg/kg sol'n act. coef. log act.
------------------------------------------------------------------------------------------
NH3(aq) 0.07673 1300. 1.0000 -1.1150
NH4+ 0.05734 1029. 0.7832 -1.3476
Cl- 0.01936 682.9 0.7900 -1.8154
HCO3- 0.01407 854.0 0.8025 -1.9474
N2(aq) 0.01298 361.8 1.0000 -1.8867
CO3-- 0.01283 766.0 0.4188 -2.2697
Na+ 0.001730 39.58 0.8025 -2.8575
K+ 9.314e-05 3.623 0.7900 -4.1332
NaCO3- 5.991e-05 4.947 0.8025 -4.3181
NaHCO3(aq) 3.703e-05 3.095 1.0000 -4.4314
OH- 2.887e-05 0.4885 0.7965 -4.6384
MgCO3(aq) 1.712e-05 1.436 1.0000 -4.7665
Mg++ 8.483e-06 0.2051 0.4904 -5.3810
Acetate 6.662e-06 0.3914 0.8082 -5.2689
HS- 4.868e-06 0.1602 0.7965 -5.4115
NaCl(aq) 3.151e-06 0.1832 1.0000 -5.5015
CO2(aq) 2.146e-06 0.09397 1.0000 -5.6684
Ni(NH3)6++ 1.650e-06 0.2641 0.4188 -6.1605
Ni(NH3)2++ 1.436e-06 0.1326 0.4188 -6.2207
HSiO3- 1.357e-06 0.1041 0.8025 -5.9630
SiO2(aq) 1.145e-06 0.06842 1.0000 -5.9414
MgHCO3+ 7.031e-07 0.05969 0.8025 -6.2485
NH4CH3COO(aq) 4.116e-07 0.03157 1.0000 -6.3855
Formate 3.886e-07 0.01741 0.7965 -6.5093
Ethane(aq) 3.204e-07 0.009587 1.0000 -6.4942
Acetamide(aq) 2.910e-07 0.01710 1.0000 -6.5361
AlO2- 2.121e-07 0.01245 0.8025 -6.7689
NaHSiO3(aq) 1.227e-07 0.01222 1.0000 -6.9112
CaCO3(aq) 8.525e-08 0.008489 1.0000 -7.0693
MgCl+ 7.075e-08 0.004207 0.8025 -7.2458
Urea(aq) 5.947e-08 0.003553 1.0000 -7.2257
Ca++ 2.653e-08 0.001058 0.4516 -7.9216
KCl(aq) 2.196e-08 0.001629 1.0000 -7.6584
(only species > 1e-8 molal listed)
Mineral saturation states log Q/K log Q/K
-----------------------------------------------------------------------------------------------
Polydymite 16.4623s/sat Chrysotile -0.6439
Heazlewoodite 11.7825s/sat Gibbsite -0.6549
Vaesite 3.9460s/sat Greenalite -0.7681
Millerite 3.6626s/sat Clinochlore-14A -1.0003
Pyrite 2.8085s/sat Talc -1.2096
C 2.1179s/sat Quartz -1.3095
Antigorite 0.8338s/sat Saponite-H -1.4231
Phlogopite 0.6411s/sat Tridymite -1.5159
Troilite 0.1079s/sat Chalcedony -1.6055
Saponite-Na 0.0000 sat Dawsonite -1.6481
Ni2SiO4 0.0000 sat Dolomite-dis -1.7407
Cronstedtite-7A 0.0000 sat Calcite -1.7929
Magnesite 0.0000 sat Celadonite -1.8887
Saponite-K 0.0000 sat Cristobalite(alpha) -1.9201
Pyrrhotite 0.0000 sat Aragonite -1.9387
Saponite-Mg 0.0000 sat Ferrosilite -2.1284
Dolomite-ord 0.0000 sat Coesite -2.1891
Annite 0.0000 sat Cristobalite(beta) -2.4401
Magnetite 0.0000 sat Monohydrocalcite -2.5788
Dolomite -0.0001 Muscovite -2.6127
Ice -0.0470 Maximum_Microcline -2.7102
Diaspore -0.1933 K-Feldspar -2.7146
Daphnite-14A -0.2327 Minnesotaite -2.7792
Trevorite -0.2977 SiO2(am) -2.8174
Hematite -0.3200 Ni -2.8371
Ripidolite-14A -0.3731 Rhodochrosite -2.8478
Saponite-Ca -0.4111 Brucite -2.8679
Siderite -0.4623 Chamosite-7A -2.8908
Goethite -0.6148 Bunsenite -2.9661
Boehmite -0.6415
(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
N2(g) 12.20 12.20 0.9995 1.0863
H2O(g) 0.005489 0.005026 0.9156 -2.2988
NH3(g) 0.0003287 0.0003248 0.9882 -3.4883
CO2(g) 2.696e-05 2.677e-05 0.9932 -4.5723
H2(g) 7.967e-06 7.973e-06 1.001 -5.0984
H2S(g) 2.340e-08 2.317e-08 0.9900 -7.6351
CO(g) 7.562e-14 7.562e-14 1.000* -13.1213
C2H4(g) 1.815e-19 1.815e-19 1.000* -18.7411
HCl(g) 2.554e-20 2.554e-20 1.000* -19.5929
S2(g) 3.631e-34 3.631e-34 1.000* -33.4400
SO2(g) 3.362e-34 3.290e-34 0.9786 -33.4828
NO(g) 1.321e-57 1.321e-57 1.000* -56.8792
Na(g) 8.889e-61 8.889e-61 1.000* -60.0512
K(g) 1.168e-62 1.168e-62 1.000* -61.9326
Cl2(g) 3.702e-71 3.702e-71 1.000* -70.4316
O2(g) 8.216e-83 8.208e-83 0.9990 -82.0858
NO2(g) 3.207e-91 3.207e-91 1.000* -90.4939
Mg(g) 1.130e-99 1.130e-99 1.000* -98.9470
Ca(g) 9.026e-127 9.026e-127 1.000* -126.0445
C(g) 1.074e-127 1.074e-127 1.000* -126.9692
Al(g) 1.145e-149 1.145e-149 1.000* -148.9412
Si(g) 8.189e-163 8.189e-163 1.000* -162.0868
*no data, gas taken to be ideal
In fluid Sorbed
Original basis total moles moles mg/kg moles mg/kg
-------------------------------------------------------------------------------------------------
H2O 5.622 4.941 9.943e+05
Al+++ 0.03495 1.891e-08 0.005698
Ca++ 0.02375 1.015e-08 0.004543
Cl- 0.001725 0.001725 683.0
Fe++ 0.3545 5.921e-10 0.0003694
H+ -1.234 0.003957 44.54
HCO3- 0.1316 0.002408 1641.
HPO4-- 9.369e-13 9.369e-13 1.004e-06
K+ 0.001720 8.298e-06 3.624
Mg++ 0.4194 2.350e-06 0.6379
Mn++ 1.637e-12 1.637e-12 1.004e-06
NH3(aq) 0.01426 0.01426 2712.
Na+ 0.02527 0.0001630 41.87
Ni++ 0.01783 2.750e-07 0.1803
O2(aq) -0.3696 0.001732 619.1
SO4-- 0.1976 4.343e-07 0.4661
SiO2(aq) 0.4017 2.337e-07 0.1569
In fluid Sorbed
Elemental composition total moles moles mg/kg moles mg/kg
-------------------------------------------------------------------------------------------------
Aluminum 0.03495 1.891e-08 0.005698
Calcium 0.02375 1.015e-08 0.004543
Carbon 0.1316 0.002408 323.0
Chlorine 0.001725 0.001725 683.0
Hydrogen 10.18 9.931 1.118e+05
Iron 0.3545 5.921e-10 0.0003694
Magnesium 0.4194 2.350e-06 0.6379
Manganese 1.637e-12 1.637e-12 1.004e-06
Nickel 0.01783 2.750e-07 0.1803
Nitrogen 0.01426 0.01426 2230.
Oxygen 6.871 4.952 8.849e+05
Phosphorus 9.369e-13 9.369e-13 3.241e-07
Potassium 0.001720 8.298e-06 3.624
Silicon 0.4017 2.337e-07 0.07332
Sodium 0.02527 0.0001630 41.87
Sulfur 0.1976 4.343e-07 0.1556
Step # 1065 Xi = 1.0000
Temperature = 0.0 C Pressure = 1.013 bar
pH = 10.321 log fO2 = -82.086
Eh = -0.4380 volts pe = -8.0811
Ionic strength = 0.077293 molal
Activity of water = 0.999330
Solvent mass = 0.088979 kg
Solution mass = 0.089468 kg
Mineral mass = 0.093032 kg
Fluid density = 1.004 g/cm3
compressibility = 4.823e-05 /bar
expansivity = 7.957e-05 /C
viscosity = 0.018 poise
Chlorinity = 0.019384 molal
Dissolved solids = 5470 mg/kg sol'n
Elect. conductivity = 7462.86 uS/cm (or umho/cm)
Hardness = 2.57 mg/kg sol'n as CaCO3
carbonate = 2.57 mg/kg sol'n as CaCO3
non-carbonate = 0.00 mg/kg sol'n as CaCO3
Carbonate alkalinity= 2172.92 mg/kg sol'n as CaCO3
Water type = NH4-CO3
Bulk volume = 117. cm3
Fluid volume = 89.1 cm3
Mineral volume = 28.1 cm3
Inert volume = 0.00 cm3
Porosity = 76.0 %
Permeability = 0.0250 cm2
Mass reacted = 92.6 g
moles moles grams cm3 rxn rate
Reactants remaining reacted reacted reacted (molal/sec)
---------------------------------------------------------------------------------------------------------
Al2O3 -4.300e-16 0.01942 1.980 -- --
CH4(g) (fixed fug.) 0.02698 0.4328 -- --
CO2(aq) 1.149e-15 0.1022 4.496 -- --
CaO 4.228e-16 0.02639 1.480 -- --
FeO -5.097e-15 0.3939 28.30 4.727 --
Formaldehyde(aq) 1.116e-16 0.005990 0.1798 -- --
H2S(aq) 0.000 0.000 0.000 -- --
HCN(aq) 0.000 0.000 0.000 -- --
K2O 1.515e-17 0.0009555 0.09000 0.03858 --
Methanol(aq) -2.465e-16 0.01123 0.3597 -- --
MgO -4.592e-15 0.4660 18.78 -- --
MnO 0.000 0.000 0.000 -- --
N2(g) 0.000 0.000 0.000 -- --
NH3(aq) -6.110e-17 0.01584 0.2698 -- --
Na2O -1.457e-16 0.01404 0.8700 0.3509 --
NiO -2.450e-16 0.01982 1.480 -- --
P2O5 0.000 0.000 0.000 -- --
S 3.236e-15 0.2195 7.040 3.405 --
SO2(g) 0.000 0.000 0.000 -- --
SO4-- 0.000 0.000 0.000 -- --
SiO2 -6.491e-15 0.4464 26.82 -- --
Minerals in system moles log moles grams volume (cm3)
-------------------------------------------------------------------------------------------
Annite 0.0009890 -3.005 0.5062 0.1526
Cronstedtite-7A 0.01257 -1.901 5.021 1.895
Dolomite-ord 0.02639 -1.579 4.867 1.698
Magnesite 0.09097 -1.041 7.670 2.549
Magnetite 0.04037 -1.394 9.347 1.797
Ni2SiO4 0.009907 -2.004 2.075 0.4222
Pyrrhotite 0.2195 -0.658 19.30 3.996
Saponite-K 0.002770 -2.558 1.085 0.3873
Saponite-Mg 0.02733 -1.563 10.46 3.653
Saponite-Na 0.08460 -1.073 32.70 11.56
_____________ _____________
(total) 93.03 28.11
Aqueous species molality mg/kg sol'n act. coef. log act.
------------------------------------------------------------------------------------------
NH3(aq) 0.08499 1439. 1.0000 -1.0706
NH4+ 0.06117 1097. 0.7779 -1.3226
Cl- 0.01938 683.3 0.7850 -1.8177
N2(aq) 0.01592 443.7 1.0000 -1.7979
HCO3- 0.01479 897.4 0.7981 -1.9280
CO3-- 0.01433 855.5 0.4097 -2.2311
Na+ 0.001664 38.05 0.7981 -2.8768
K+ 8.966e-05 3.486 0.7850 -4.1525
NaCO3- 6.298e-05 5.198 0.7981 -4.2988
NaHCO3(aq) 3.703e-05 3.094 1.0000 -4.4314
OH- 3.036e-05 0.5136 0.7918 -4.6191
MgCO3(aq) 1.712e-05 1.436 1.0000 -4.7665
Mg++ 7.874e-06 0.1903 0.4833 -5.4196
Acetate 7.001e-06 0.4111 0.8041 -5.2495
HS- 5.119e-06 0.1684 0.7918 -5.3922
NaCl(aq) 2.998e-06 0.1743 1.0000 -5.5231
Ni(NH3)6++ 2.848e-06 0.4557 0.4097 -5.9329
CO2(aq) 2.146e-06 0.09393 1.0000 -5.6684
Ni(NH3)2++ 1.648e-06 0.1520 0.4097 -6.1706
HSiO3- 1.426e-06 0.1094 0.7981 -5.9437
SiO2(aq) 1.145e-06 0.06839 1.0000 -5.9414
MgHCO3+ 6.763e-07 0.05738 0.7981 -6.2678
NH4CH3COO(aq) 4.559e-07 0.03495 1.0000 -6.3411
Formate 4.087e-07 0.01830 0.7918 -6.4900
Acetamide(aq) 3.223e-07 0.01893 1.0000 -6.4917
Ethane(aq) 3.204e-07 0.009583 1.0000 -6.4942
AlO2- 2.230e-07 0.01308 0.7981 -6.7496
NaHSiO3(aq) 1.227e-07 0.01221 1.0000 -6.9112
CaCO3(aq) 8.525e-08 0.008486 1.0000 -7.0693
Urea(aq) 7.295e-08 0.004357 1.0000 -7.1370
MgCl+ 6.474e-08 0.003848 0.7981 -7.2868
Ca++ 2.471e-08 0.0009851 0.4434 -7.9602
KCl(aq) 2.089e-08 0.001549 1.0000 -7.6800
(only species > 1e-8 molal listed)
Mineral saturation states log Q/K log Q/K
-----------------------------------------------------------------------------------------------
Polydymite 16.4623s/sat Chrysotile -0.6439
Heazlewoodite 11.7825s/sat Gibbsite -0.6549
Vaesite 3.9460s/sat Greenalite -0.7681
Millerite 3.6626s/sat Clinochlore-14A -1.0003
Pyrite 2.8085s/sat Talc -1.2096
C 2.1179s/sat Quartz -1.3095
Antigorite 0.8338s/sat Saponite-H -1.4231
Phlogopite 0.6411s/sat Tridymite -1.5159
Troilite 0.1079s/sat Chalcedony -1.6055
Saponite-K 0.0000 sat Dawsonite -1.6481
Ni2SiO4 0.0000 sat Dolomite-dis -1.7407
Cronstedtite-7A 0.0000 sat Calcite -1.7929
Magnesite 0.0000 sat Celadonite -1.8887
Saponite-Mg 0.0000 sat Cristobalite(alpha) -1.9201
Pyrrhotite 0.0000 sat Aragonite -1.9387
Dolomite-ord 0.0000 sat Ferrosilite -2.1284
Annite 0.0000 sat Coesite -2.1891
Saponite-Na 0.0000 sat Cristobalite(beta) -2.4401
Magnetite 0.0000 sat Monohydrocalcite -2.5788
Dolomite -0.0001 Muscovite -2.6127
Ice -0.0470 Maximum_Microcline -2.7102
Diaspore -0.1933 K-Feldspar -2.7146
Daphnite-14A -0.2327 Minnesotaite -2.7792
Trevorite -0.2977 Rhodochrosite -2.8165
Hematite -0.3200 SiO2(am) -2.8174
Ripidolite-14A -0.3731 Ni -2.8371
Saponite-Ca -0.4111 Brucite -2.8679
Siderite -0.4623 Chamosite-7A -2.8908
Goethite -0.6148 Bunsenite -2.9661
Boehmite -0.6415
(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
N2(g) 14.97 14.96 0.9995 1.1751
H2O(g) 0.005489 0.005026 0.9156 -2.2988
NH3(g) 0.0003641 0.0003598 0.9882 -3.4439
CO2(g) 2.696e-05 2.677e-05 0.9932 -4.5723
H2(g) 7.967e-06 7.973e-06 1.001 -5.0984
H2S(g) 2.340e-08 2.317e-08 0.9900 -7.6351
CO(g) 7.562e-14 7.562e-14 1.000* -13.1213
C2H4(g) 1.815e-19 1.815e-19 1.000* -18.7411
HCl(g) 2.430e-20 2.430e-20 1.000* -19.6145
S2(g) 3.631e-34 3.631e-34 1.000* -33.4400
SO2(g) 3.362e-34 3.290e-34 0.9786 -33.4828
NO(g) 1.463e-57 1.463e-57 1.000* -56.8348
Na(g) 8.889e-61 8.889e-61 1.000* -60.0512
K(g) 1.168e-62 1.168e-62 1.000* -61.9326
Cl2(g) 3.351e-71 3.351e-71 1.000* -70.4748
O2(g) 8.216e-83 8.208e-83 0.9990 -82.0858
NO2(g) 3.552e-91 3.552e-91 1.000* -90.4495
Mg(g) 1.130e-99 1.130e-99 1.000* -98.9470
Ca(g) 9.026e-127 9.026e-127 1.000* -126.0445
C(g) 1.074e-127 1.074e-127 1.000* -126.9692
Al(g) 1.145e-149 1.145e-149 1.000* -148.9412
Si(g) 8.189e-163 8.189e-163 1.000* -162.0868
*no data, gas taken to be ideal
In fluid Sorbed
Original basis total moles moles mg/kg moles mg/kg
-------------------------------------------------------------------------------------------------
H2O 5.692 4.935 9.937e+05
Al+++ 0.03884 1.985e-08 0.005988
Ca++ 0.02639 9.968e-09 0.004465
Cl- 0.001725 0.001725 683.5
Fe++ 0.3939 5.510e-10 0.0003439
H+ -1.371 0.004158 46.85
HCO3- 0.1464 0.002603 1776.
HPO4-- 9.369e-13 9.369e-13 1.005e-06
K+ 0.001911 7.979e-06 3.487
Mg++ 0.4660 2.290e-06 0.6221
Mn++ 1.637e-12 1.637e-12 1.005e-06
NH3(aq) 0.01584 0.01584 3015.
Na+ 0.02807 0.0001572 40.41
Ni++ 0.01982 4.001e-07 0.2625
O2(aq) -0.4105 0.002123 759.3
SO4-- 0.2195 4.563e-07 0.4899
SiO2(aq) 0.4464 2.397e-07 0.1610
In fluid Sorbed
Elemental composition total moles moles mg/kg moles mg/kg
-------------------------------------------------------------------------------------------------
Aluminum 0.03884 1.985e-08 0.005988
Calcium 0.02639 9.968e-09 0.004465
Carbon 0.1464 0.002603 349.5
Chlorine 0.001725 0.001725 683.5
Hydrogen 10.21 9.924 1.118e+05
Iron 0.3939 5.510e-10 0.0003439
Magnesium 0.4660 2.290e-06 0.6221
Manganese 1.637e-12 1.637e-12 1.005e-06
Nickel 0.01982 4.001e-07 0.2625
Nitrogen 0.01584 0.01584 2480.
Oxygen 7.081 4.947 8.846e+05
Phosphorus 9.369e-13 9.369e-13 3.244e-07
Potassium 0.001911 7.979e-06 3.487
Silicon 0.4464 2.397e-07 0.07524
Sodium 0.02807 0.0001572 40.41
Sulfur 0.2195 4.563e-07 0.1635