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iphreeqc/ex2.out
David L Parkhurst 9f3afe9851 Checking in examples. All examples run, 
however, mytest mu, sys_gas, and DanPhuong need to be fixed.

DanPhuong runs on Windows? 

sys_gas is problem with ah2o=0/1.

not sure about mu.


git-svn-id: svn://136.177.114.72/svn_GW/phreeqc3/trunk@7074 1feff8c3-07ed-0310-ac33-dd36852eb9cd
2012-11-09 23:41:10 +00:00

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Input file: ../examples/ex2
Output file: ex2.out
Database file: ../database/phreeqc.dat
------------------
Reading data base.
------------------
SOLUTION_MASTER_SPECIES
SOLUTION_SPECIES
PHASES
EXCHANGE_MASTER_SPECIES
EXCHANGE_SPECIES
SURFACE_MASTER_SPECIES
SURFACE_SPECIES
RATES
END
------------------------------------
Reading input data for simulation 1.
------------------------------------
TITLE Example 2.--Temperature dependence of solubility
of gypsum and anhydrite
SOLUTION 1 Pure water
pH 7.0
temp 25.0
EQUILIBRIUM_PHASES 1
Gypsum 0.0 1.0
Anhydrite 0.0 1.0
REACTION_TEMPERATURE 1
25.0 75.0 in 51 steps
SELECTED_OUTPUT
file ex2.sel
temperature
si anhydrite gypsum
USER_GRAPH 1 Example 2
-headings Temperature Gypsum Anhydrite
-chart_title "Gypsum-Anhydrite Stability"
-axis_scale x_axis 25 75 5 0
-axis_scale y_axis auto 0.05 0.1
-axis_titles "TEMPERATURE, IN DEGREES CELSIUS" "SATURATION INDEX"
-initial_solutions false
-start
10 graph_x TC
20 graph_y SI("Gypsum") SI("Anhydrite")
-end
END
-----
TITLE
-----
Example 2.--Temperature dependence of solubility
of gypsum and anhydrite
-------------------------------------------
Beginning of initial solution calculations.
-------------------------------------------
Initial solution 1. Pure water
-----------------------------Solution composition------------------------------
Elements Molality Moles
Pure water
----------------------------Description of solution----------------------------
pH = 7.000
pe = 4.000
Specific Conductance (uS/cm, 25 oC) = 0
Density (g/cm3) = 0.99704
Volume (L) = 1.00297
Activity of water = 1.000
Ionic strength = 1.002e-07
Mass of water (kg) = 1.000e+00
Total alkalinity (eq/kg) = 2.208e-10
Total carbon (mol/kg) = 0.000e+00
Total CO2 (mol/kg) = 0.000e+00
Temperature (deg C) = 25.00
Electrical balance (eq) = -2.208e-10
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.11
Iterations = 0
Total H = 1.110124e+02
Total O = 5.550622e+01
----------------------------Distribution of species----------------------------
Log Log Log mole V
Species Molality Activity Molality Activity Gamma cm3/mol
OH- 1.003e-07 1.002e-07 -6.999 -6.999 -0.000 -4.11
H+ 1.001e-07 1.000e-07 -7.000 -7.000 -0.000 0.00
H2O 5.551e+01 1.000e+00 1.744 0.000 0.000 18.07
H(0) 1.416e-25
H2 7.079e-26 7.079e-26 -25.150 -25.150 0.000 28.61
O(0) 0.000e+00
O2 0.000e+00 0.000e+00 -42.080 -42.080 0.000 30.40
------------------------------Saturation indices-------------------------------
Phase SI log IAP log K(298 K, 1 atm)
H2(g) -22.05 -25.15 -3.10 H2
H2O(g) -1.50 0.00 1.50 H2O
O2(g) -39.19 -42.08 -2.89 O2
-----------------------------------------
Beginning of batch-reaction calculations.
-----------------------------------------
Reaction step 1.
Using solution 1. Pure water
Using pure phase assemblage 1.
Using temperature 1.
-------------------------------Phase assemblage--------------------------------
Moles in assemblage
Phase SI log IAP log K(T, P) Initial Final Delta
Anhydrite -0.34 -4.58 -4.24 1.000e+00 0 -1.000e+00
Gypsum -0.00 -4.58 -4.58 1.000e+00 1.985e+00 9.855e-01
-----------------------------Solution composition------------------------------
Elements Molality Moles
Ca 1.508e-02 1.455e-02
S 1.508e-02 1.455e-02
----------------------------Description of solution----------------------------
pH = 7.067 Charge balance
pe = -1.408 Adjusted to redox equilibrium
Specific Conductance (uS/cm, 25 oC) = 2161
Density (g/cm3) = 0.99909
Volume (L) = 0.96828
Activity of water = 1.000
Ionic strength = 4.183e-02
Mass of water (kg) = 9.645e-01
Total alkalinity (eq/kg) = 2.289e-10
Total carbon (mol/kg) = 0.000e+00
Total CO2 (mol/kg) = 0.000e+00
Temperature (deg C) = 25.00
Electrical balance (eq) = -2.208e-10
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00
Iterations = 19
Total H = 1.070706e+02
Total O = 5.359351e+01
----------------------------Distribution of species----------------------------
Log Log Log mole V
Species Molality Activity Molality Activity Gamma cm3/mol
OH- 1.419e-07 1.169e-07 -6.848 -6.932 -0.084 -3.85
H+ 9.957e-08 8.573e-08 -7.002 -7.067 -0.065 0.00
H2O 5.551e+01 9.996e-01 1.744 -0.000 0.000 18.07
Ca 1.508e-02
Ca+2 1.046e-02 5.176e-03 -1.981 -2.286 -0.305 -17.05
CaSO4 4.627e-03 4.672e-03 -2.335 -2.331 0.004 7.50
CaOH+ 1.189e-08 1.002e-08 -7.925 -7.999 -0.074 (0)
CaHSO4+ 3.166e-09 2.632e-09 -8.499 -8.580 -0.080 (0)
H(0) 6.743e-15
H2 3.371e-15 3.404e-15 -14.472 -14.468 0.004 28.61
O(0) 0.000e+00
O2 0.000e+00 0.000e+00 -63.449 -63.444 0.004 30.40
S(-2) 2.037e-21
HS- 1.264e-21 1.041e-21 -20.898 -20.983 -0.084 20.77
H2S 7.725e-22 7.800e-22 -21.112 -21.108 0.004 37.16
S-2 3.010e-27 1.466e-27 -26.521 -26.834 -0.312 (0)
S(6) 1.508e-02
SO4-2 1.046e-02 5.075e-03 -1.981 -2.295 -0.314 13.54
CaSO4 4.627e-03 4.672e-03 -2.335 -2.331 0.004 7.50
HSO4- 5.087e-08 4.230e-08 -7.294 -7.374 -0.080 35.33
CaHSO4+ 3.166e-09 2.632e-09 -8.499 -8.580 -0.080 (0)
------------------------------Saturation indices-------------------------------
Phase SI log IAP log K(298 K, 1 atm)
Anhydrite -0.34 -4.58 -4.24 CaSO4
Gypsum -0.00 -4.58 -4.58 CaSO4:2H2O
H2(g) -11.37 -14.47 -3.10 H2
H2O(g) -1.50 -0.00 1.50 H2O
H2S(g) -20.06 -28.05 -7.99 H2S
O2(g) -60.55 -63.44 -2.89 O2
Sulfur -14.67 -9.79 4.88 S
Reaction step 2.
Using solution 1. Pure water
Using pure phase assemblage 1.
Using temperature 1.
-------------------------------Phase assemblage--------------------------------
Moles in assemblage
Phase SI log IAP log K(T, P) Initial Final Delta
Anhydrite -0.33 -4.58 -4.25 1.000e+00 0 -1.000e+00
Gypsum -0.00 -4.58 -4.58 1.000e+00 1.985e+00 9.854e-01
-----------------------------Solution composition------------------------------
Elements Molality Moles
Ca 1.513e-02 1.459e-02
S 1.513e-02 1.459e-02
----------------------------Description of solution----------------------------
pH = 7.053 Charge balance
pe = -1.327 Adjusted to redox equilibrium
Specific Conductance (uS/cm, 26 oC) = 2212
Density (g/cm3) = 0.99883
Volume (L) = 0.96854
Activity of water = 1.000
Ionic strength = 4.188e-02
Mass of water (kg) = 9.645e-01
Total alkalinity (eq/kg) = 2.289e-10
Total carbon (mol/kg) = 0.000e+00
Total CO2 (mol/kg) = 0.000e+00
Temperature (deg C) = 26.00
Electrical balance (eq) = -2.208e-10
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00
Iterations = 19
Total H = 1.070708e+02
Total O = 5.359376e+01
----------------------------Distribution of species----------------------------
Log Log Log mole V
Species Molality Activity Molality Activity Gamma cm3/mol
OH- 1.485e-07 1.222e-07 -6.828 -6.913 -0.085 -3.80
H+ 1.028e-07 8.849e-08 -6.988 -7.053 -0.065 0.00
H2O 5.551e+01 9.996e-01 1.744 -0.000 0.000 18.07
Ca 1.513e-02
Ca+2 1.047e-02 5.174e-03 -1.980 -2.286 -0.306 -17.01
CaSO4 4.658e-03 4.703e-03 -2.332 -2.328 0.004 7.54
CaOH+ 1.152e-08 9.700e-09 -7.939 -8.013 -0.074 (0)
CaHSO4+ 3.340e-09 2.775e-09 -8.476 -8.557 -0.080 (0)
H(0) 4.895e-15
H2 2.448e-15 2.471e-15 -14.611 -14.607 0.004 28.60
O(0) 0.000e+00
O2 0.000e+00 0.000e+00 -62.849 -62.845 0.004 30.48
S(-2) 4.331e-22
HS- 2.687e-22 2.211e-22 -21.571 -21.655 -0.085 20.81
H2S 1.645e-22 1.661e-22 -21.784 -21.780 0.004 37.17
S-2 6.642e-28 3.231e-28 -27.178 -27.491 -0.313 (0)
S(6) 1.513e-02
SO4-2 1.047e-02 5.073e-03 -1.980 -2.295 -0.315 13.66
CaSO4 4.658e-03 4.703e-03 -2.332 -2.328 0.004 7.54
HSO4- 5.367e-08 4.461e-08 -7.270 -7.351 -0.080 35.40
CaHSO4+ 3.340e-09 2.775e-09 -8.476 -8.557 -0.080 (0)
------------------------------Saturation indices-------------------------------
Phase SI log IAP log K(299 K, 1 atm)
Anhydrite -0.33 -4.58 -4.25 CaSO4
Gypsum -0.00 -4.58 -4.58 CaSO4:2H2O
H2(g) -11.50 -14.61 -3.10 H2
H2O(g) -1.48 -0.00 1.48 H2O
H2S(g) -20.72 -28.71 -7.99 H2S
O2(g) -59.95 -62.84 -2.90 O2
Sulfur -15.19 -10.33 4.86 S
Reaction step 3.
Using solution 1. Pure water
Using pure phase assemblage 1.
Using temperature 1.
-------------------------------Phase assemblage--------------------------------
Moles in assemblage
Phase SI log IAP log K(T, P) Initial Final Delta
Anhydrite -0.32 -4.58 -4.27 1.000e+00 0 -1.000e+00
Gypsum 0.00 -4.58 -4.58 1.000e+00 1.985e+00 9.854e-01
-----------------------------Solution composition------------------------------
Elements Molality Moles
Ca 1.517e-02 1.463e-02
S 1.517e-02 1.463e-02
----------------------------Description of solution----------------------------
pH = 7.039 Charge balance
pe = -1.312 Adjusted to redox equilibrium
Specific Conductance (uS/cm, 27 oC) = 2262
Density (g/cm3) = 0.99857
Volume (L) = 0.96881
Activity of water = 1.000
Ionic strength = 4.191e-02
Mass of water (kg) = 9.645e-01
Total alkalinity (eq/kg) = 2.289e-10
Total carbon (mol/kg) = 0.000e+00
Total CO2 (mol/kg) = 0.000e+00
Temperature (deg C) = 27.00
Electrical balance (eq) = -2.208e-10
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00
Iterations = 17
Total H = 1.070709e+02
Total O = 5.359398e+01
----------------------------Distribution of species----------------------------
Log Log Log mole V
Species Molality Activity Molality Activity Gamma cm3/mol
OH- 1.553e-07 1.278e-07 -6.809 -6.894 -0.085 -3.76
H+ 1.061e-07 9.132e-08 -6.974 -7.039 -0.065 0.00
H2O 5.551e+01 9.996e-01 1.744 -0.000 0.000 18.08
Ca 1.517e-02
Ca+2 1.048e-02 5.172e-03 -1.980 -2.286 -0.307 -16.98
CaSO4 4.688e-03 4.733e-03 -2.329 -2.325 0.004 7.57
CaOH+ 1.116e-08 9.395e-09 -7.952 -8.027 -0.075 (0)
CaHSO4+ 3.521e-09 2.925e-09 -8.453 -8.534 -0.081 (0)
H(0) 4.818e-15
H2 2.409e-15 2.432e-15 -14.618 -14.614 0.004 28.60
O(0) 0.000e+00
O2 0.000e+00 0.000e+00 -62.515 -62.511 0.004 30.55
S(-2) 3.116e-22
HS- 1.931e-22 1.589e-22 -21.714 -21.799 -0.085 20.85
H2S 1.185e-22 1.196e-22 -21.926 -21.922 0.004 37.17
S-2 4.956e-28 2.408e-28 -27.305 -27.618 -0.314 (0)
S(6) 1.517e-02
SO4-2 1.048e-02 5.070e-03 -1.980 -2.295 -0.315 13.78
CaSO4 4.688e-03 4.733e-03 -2.329 -2.325 0.004 7.57
HSO4- 5.661e-08 4.704e-08 -7.247 -7.328 -0.080 35.46
CaHSO4+ 3.521e-09 2.925e-09 -8.453 -8.534 -0.081 (0)
------------------------------Saturation indices-------------------------------
Phase SI log IAP log K(300 K, 1 atm)
Anhydrite -0.32 -4.58 -4.27 CaSO4
Gypsum 0.00 -4.58 -4.58 CaSO4:2H2O
H2(g) -11.51 -14.61 -3.11 H2
H2O(g) -1.45 -0.00 1.45 H2O
H2S(g) -20.85 -28.84 -7.99 H2S
O2(g) -59.60 -62.51 -2.91 O2
Sulfur -15.30 -10.47 4.84 S
Reaction step 4.
Using solution 1. Pure water
Using pure phase assemblage 1.
Using temperature 1.
-------------------------------Phase assemblage--------------------------------
Moles in assemblage
Phase SI log IAP log K(T, P) Initial Final Delta
Anhydrite -0.30 -4.58 -4.28 1.000e+00 0 -1.000e+00
Gypsum 0.00 -4.58 -4.58 1.000e+00 1.985e+00 9.853e-01
-----------------------------Solution composition------------------------------
Elements Molality Moles
Ca 1.520e-02 1.466e-02
S 1.520e-02 1.466e-02
----------------------------Description of solution----------------------------
pH = 7.026 Charge balance
pe = -1.300 Adjusted to redox equilibrium
Specific Conductance (uS/cm, 28 oC) = 2313
Density (g/cm3) = 0.99829
Volume (L) = 0.96909
Activity of water = 1.000
Ionic strength = 4.194e-02
Mass of water (kg) = 9.645e-01
Total alkalinity (eq/kg) = 2.289e-10
Total carbon (mol/kg) = 0.000e+00
Total CO2 (mol/kg) = 0.000e+00
Temperature (deg C) = 28.00
Electrical balance (eq) = -2.208e-10
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00
Iterations = 19
Total H = 1.070711e+02
Total O = 5.359419e+01
----------------------------Distribution of species----------------------------
Log Log Log mole V
Species Molality Activity Molality Activity Gamma cm3/mol
OH- 1.624e-07 1.335e-07 -6.790 -6.874 -0.085 -3.72
H+ 1.095e-07 9.422e-08 -6.961 -7.026 -0.065 0.00
H2O 5.551e+01 9.996e-01 1.744 -0.000 0.000 18.08
Ca 1.520e-02
Ca+2 1.049e-02 5.168e-03 -1.979 -2.287 -0.307 -16.95
CaSO4 4.716e-03 4.762e-03 -2.326 -2.322 0.004 7.61
CaOH+ 1.081e-08 9.100e-09 -7.966 -8.041 -0.075 (0)
CaHSO4+ 3.711e-09 3.082e-09 -8.430 -8.511 -0.081 (0)
H(0) 4.816e-15
H2 2.408e-15 2.431e-15 -14.618 -14.614 0.004 28.60
O(0) 0.000e+00
O2 0.000e+00 0.000e+00 -62.198 -62.194 0.004 30.63
S(-2) 2.390e-22
HS- 1.480e-22 1.217e-22 -21.830 -21.915 -0.085 20.89
H2S 9.098e-23 9.186e-23 -22.041 -22.037 0.004 37.18
S-2 3.942e-28 1.912e-28 -27.404 -27.718 -0.314 (0)
S(6) 1.520e-02
SO4-2 1.049e-02 5.067e-03 -1.979 -2.295 -0.316 13.88
CaSO4 4.716e-03 4.762e-03 -2.326 -2.322 0.004 7.61
HSO4- 5.971e-08 4.960e-08 -7.224 -7.305 -0.081 35.52
CaHSO4+ 3.711e-09 3.082e-09 -8.430 -8.511 -0.081 (0)
------------------------------Saturation indices-------------------------------
Phase SI log IAP log K(301 K, 1 atm)
Anhydrite -0.30 -4.58 -4.28 CaSO4
Gypsum 0.00 -4.58 -4.58 CaSO4:2H2O
H2(g) -11.51 -14.61 -3.11 H2
H2O(g) -1.43 -0.00 1.43 H2O
H2S(g) -20.96 -28.94 -7.99 H2S
O2(g) -59.28 -62.19 -2.91 O2
Sulfur -15.40 -10.59 4.81 S
Reaction step 5.
Using solution 1. Pure water
Using pure phase assemblage 1.
Using temperature 1.
-------------------------------Phase assemblage--------------------------------
Moles in assemblage
Phase SI log IAP log K(T, P) Initial Final Delta
Anhydrite -0.29 -4.58 -4.29 1.000e+00 0 -1.000e+00
Gypsum 0.00 -4.58 -4.58 1.000e+00 1.985e+00 9.853e-01
-----------------------------Solution composition------------------------------
Elements Molality Moles
Ca 1.524e-02 1.469e-02
S 1.524e-02 1.469e-02
----------------------------Description of solution----------------------------
pH = 7.012 Charge balance
pe = -1.290 Adjusted to redox equilibrium
Specific Conductance (uS/cm, 29 oC) = 2364
Density (g/cm3) = 0.99800
Volume (L) = 0.96937
Activity of water = 1.000
Ionic strength = 4.197e-02
Mass of water (kg) = 9.645e-01
Total alkalinity (eq/kg) = 2.289e-10
Total carbon (mol/kg) = 0.000e+00
Total CO2 (mol/kg) = 0.000e+00
Temperature (deg C) = 29.00
Electrical balance (eq) = -2.208e-10
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00
Iterations = 17
Total H = 1.070712e+02
Total O = 5.359438e+01
----------------------------Distribution of species----------------------------
Log Log Log mole V
Species Molality Activity Molality Activity Gamma cm3/mol
OH- 1.696e-07 1.394e-07 -6.771 -6.856 -0.085 -3.68
H+ 1.130e-07 9.718e-08 -6.947 -7.012 -0.065 0.00
H2O 5.551e+01 9.996e-01 1.744 -0.000 0.000 18.09
Ca 1.524e-02
Ca+2 1.049e-02 5.164e-03 -1.979 -2.287 -0.308 -16.92
CaSO4 4.744e-03 4.790e-03 -2.324 -2.320 0.004 7.64
CaOH+ 1.048e-08 8.816e-09 -7.980 -8.055 -0.075 (0)
CaHSO4+ 3.910e-09 3.246e-09 -8.408 -8.489 -0.081 (0)
H(0) 4.839e-15
H2 2.419e-15 2.443e-15 -14.616 -14.612 0.004 28.60
O(0) 0.000e+00
O2 0.000e+00 0.000e+00 -61.887 -61.882 0.004 30.70
S(-2) 1.874e-22
HS- 1.159e-22 9.529e-23 -21.936 -22.021 -0.085 20.93
H2S 7.144e-23 7.213e-23 -22.146 -22.142 0.004 37.18
S-2 3.203e-28 1.552e-28 -27.494 -27.809 -0.315 (0)
S(6) 1.524e-02
SO4-2 1.049e-02 5.063e-03 -1.979 -2.296 -0.316 13.99
CaSO4 4.744e-03 4.790e-03 -2.324 -2.320 0.004 7.64
HSO4- 6.295e-08 5.227e-08 -7.201 -7.282 -0.081 35.58
CaHSO4+ 3.910e-09 3.246e-09 -8.408 -8.489 -0.081 (0)
------------------------------Saturation indices-------------------------------
Phase SI log IAP log K(302 K, 1 atm)
Anhydrite -0.29 -4.58 -4.29 CaSO4
Gypsum 0.00 -4.58 -4.58 CaSO4:2H2O
H2(g) -11.50 -14.61 -3.11 H2
H2O(g) -1.40 -0.00 1.40 H2O
H2S(g) -21.05 -29.03 -7.98 H2S
O2(g) -58.96 -61.88 -2.92 O2
Sulfur -15.49 -10.70 4.79 S
Reaction step 6.
Using solution 1. Pure water
Using pure phase assemblage 1.
Using temperature 1.
-------------------------------Phase assemblage--------------------------------
Moles in assemblage
Phase SI log IAP log K(T, P) Initial Final Delta
Anhydrite -0.28 -4.58 -4.30 1.000e+00 0 -1.000e+00
Gypsum 0.00 -4.58 -4.58 1.000e+00 1.985e+00 9.853e-01
-----------------------------Solution composition------------------------------
Elements Molality Moles
Ca 1.527e-02 1.472e-02
S 1.527e-02 1.472e-02
----------------------------Description of solution----------------------------
pH = 6.999 Charge balance
pe = -1.280 Adjusted to redox equilibrium
Specific Conductance (uS/cm, 30 oC) = 2415
Density (g/cm3) = 0.99771
Volume (L) = 0.96967
Activity of water = 1.000
Ionic strength = 4.198e-02
Mass of water (kg) = 9.645e-01
Total alkalinity (eq/kg) = 2.289e-10
Total carbon (mol/kg) = 0.000e+00
Total CO2 (mol/kg) = 0.000e+00
Temperature (deg C) = 30.00
Electrical balance (eq) = -2.208e-10
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00
Iterations = 20
Total H = 1.070713e+02
Total O = 5.359456e+01
----------------------------Distribution of species----------------------------
Log Log Log mole V
Species Molality Activity Molality Activity Gamma cm3/mol
OH- 1.771e-07 1.455e-07 -6.752 -6.837 -0.085 -3.64
H+ 1.165e-07 1.002e-07 -6.933 -6.999 -0.066 0.00
H2O 5.551e+01 9.996e-01 1.744 -0.000 0.000 18.09
Ca 1.527e-02
Ca+2 1.050e-02 5.160e-03 -1.979 -2.287 -0.308 -16.90
CaSO4 4.770e-03 4.816e-03 -2.322 -2.317 0.004 7.68
CaOH+ 1.015e-08 8.541e-09 -7.993 -8.068 -0.075 (0)
CaHSO4+ 4.118e-09 3.417e-09 -8.385 -8.466 -0.081 (0)
H(0) 4.858e-15
H2 2.429e-15 2.453e-15 -14.615 -14.610 0.004 28.60
O(0) 0.000e+00
O2 0.000e+00 0.000e+00 -61.577 -61.573 0.004 30.77
S(-2) 1.468e-22
HS- 9.071e-23 7.453e-23 -22.042 -22.128 -0.085 20.97
H2S 5.606e-23 5.660e-23 -22.251 -22.247 0.004 37.18
S-2 2.600e-28 1.258e-28 -27.585 -27.900 -0.315 (0)
S(6) 1.527e-02
SO4-2 1.050e-02 5.059e-03 -1.979 -2.296 -0.317 14.09
CaSO4 4.770e-03 4.816e-03 -2.322 -2.317 0.004 7.68
HSO4- 6.636e-08 5.509e-08 -7.178 -7.259 -0.081 35.64
CaHSO4+ 4.118e-09 3.417e-09 -8.385 -8.466 -0.081 (0)
------------------------------Saturation indices-------------------------------
Phase SI log IAP log K(303 K, 1 atm)
Anhydrite -0.28 -4.58 -4.30 CaSO4
Gypsum 0.00 -4.58 -4.58 CaSO4:2H2O
H2(g) -11.50 -14.61 -3.11 H2
H2O(g) -1.38 -0.00 1.38 H2O
H2S(g) -21.15 -29.13 -7.98 H2S
O2(g) -58.65 -61.57 -2.93 O2
Sulfur -15.58 -10.81 4.77 S
Reaction step 7.
Using solution 1. Pure water
Using pure phase assemblage 1.
Using temperature 1.
-------------------------------Phase assemblage--------------------------------
Moles in assemblage
Phase SI log IAP log K(T, P) Initial Final Delta
Anhydrite -0.27 -4.58 -4.31 1.000e+00 0 -1.000e+00
Gypsum -0.00 -4.58 -4.58 1.000e+00 1.985e+00 9.853e-01
-----------------------------Solution composition------------------------------
Elements Molality Moles
Ca 1.529e-02 1.475e-02
S 1.529e-02 1.475e-02
----------------------------Description of solution----------------------------
pH = 6.986 Charge balance
pe = -1.267 Adjusted to redox equilibrium
Specific Conductance (uS/cm, 31 oC) = 2466
Density (g/cm3) = 0.99740
Volume (L) = 0.96997
Activity of water = 1.000
Ionic strength = 4.199e-02
Mass of water (kg) = 9.645e-01
Total alkalinity (eq/kg) = 2.289e-10
Total carbon (mol/kg) = 0.000e+00
Total CO2 (mol/kg) = 0.000e+00
Temperature (deg C) = 31.00
Electrical balance (eq) = -2.208e-10
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00
Iterations = 17
Total H = 1.070714e+02
Total O = 5.359471e+01
----------------------------Distribution of species----------------------------
Log Log Log mole V
Species Molality Activity Molality Activity Gamma cm3/mol
OH- 1.848e-07 1.518e-07 -6.733 -6.819 -0.085 -3.61
H+ 1.202e-07 1.033e-07 -6.920 -6.986 -0.066 0.00
H2O 5.551e+01 9.996e-01 1.744 -0.000 0.000 18.10
Ca 1.529e-02
Ca+2 1.050e-02 5.154e-03 -1.979 -2.288 -0.309 -16.87
CaSO4 4.794e-03 4.841e-03 -2.319 -2.315 0.004 7.71
CaOH+ 9.841e-09 8.277e-09 -8.007 -8.082 -0.075 (0)
CaHSO4+ 4.335e-09 3.596e-09 -8.363 -8.444 -0.081 (0)
H(0) 4.829e-15
H2 2.414e-15 2.438e-15 -14.617 -14.613 0.004 28.60
O(0) 0.000e+00
O2 0.000e+00 0.000e+00 -61.260 -61.256 0.004 30.84
S(-2) 1.106e-22
HS- 6.825e-23 5.606e-23 -22.166 -22.251 -0.085 21.00
H2S 4.231e-23 4.272e-23 -22.374 -22.369 0.004 37.19
S-2 2.029e-28 9.806e-29 -27.693 -28.009 -0.316 (0)
S(6) 1.529e-02
SO4-2 1.050e-02 5.053e-03 -1.979 -2.296 -0.318 14.18
CaSO4 4.794e-03 4.841e-03 -2.319 -2.315 0.004 7.71
HSO4- 6.993e-08 5.803e-08 -7.155 -7.236 -0.081 35.69
CaHSO4+ 4.335e-09 3.596e-09 -8.363 -8.444 -0.081 (0)
------------------------------Saturation indices-------------------------------
Phase SI log IAP log K(304 K, 1 atm)
Anhydrite -0.27 -4.58 -4.31 CaSO4
Gypsum -0.00 -4.58 -4.58 CaSO4:2H2O
H2(g) -11.50 -14.61 -3.11 H2
H2O(g) -1.35 -0.00 1.35 H2O
H2S(g) -21.26 -29.24 -7.98 H2S
O2(g) -58.32 -61.26 -2.93 O2
Sulfur -15.68 -10.93 4.74 S
Reaction step 8.
Using solution 1. Pure water
Using pure phase assemblage 1.
Using temperature 1.
-------------------------------Phase assemblage--------------------------------
Moles in assemblage
Phase SI log IAP log K(T, P) Initial Final Delta
Anhydrite -0.26 -4.59 -4.32 1.000e+00 0 -1.000e+00
Gypsum 0.00 -4.59 -4.59 1.000e+00 1.985e+00 9.852e-01
-----------------------------Solution composition------------------------------
Elements Molality Moles
Ca 1.532e-02 1.477e-02
S 1.532e-02 1.477e-02
----------------------------Description of solution----------------------------
pH = 6.973 Charge balance
pe = -1.258 Adjusted to redox equilibrium
Specific Conductance (uS/cm, 32 oC) = 2517
Density (g/cm3) = 0.99709
Volume (L) = 0.97028
Activity of water = 1.000
Ionic strength = 4.200e-02
Mass of water (kg) = 9.645e-01
Total alkalinity (eq/kg) = 2.289e-10
Total carbon (mol/kg) = 0.000e+00
Total CO2 (mol/kg) = 0.000e+00
Temperature (deg C) = 32.00
Electrical balance (eq) = -2.208e-10
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00
Iterations = 17
Total H = 1.070715e+02
Total O = 5.359485e+01
----------------------------Distribution of species----------------------------
Log Log Log mole V
Species Molality Activity Molality Activity Gamma cm3/mol
OH- 1.928e-07 1.583e-07 -6.715 -6.800 -0.086 -3.58
H+ 1.239e-07 1.065e-07 -6.907 -6.973 -0.066 0.00
H2O 5.551e+01 9.996e-01 1.744 -0.000 0.000 18.11
Ca 1.532e-02
Ca+2 1.050e-02 5.148e-03 -1.979 -2.288 -0.309 -16.85
CaSO4 4.817e-03 4.864e-03 -2.317 -2.313 0.004 7.74
CaOH+ 9.541e-09 8.022e-09 -8.020 -8.096 -0.075 (0)
CaHSO4+ 4.562e-09 3.783e-09 -8.341 -8.422 -0.081 (0)
H(0) 4.869e-15
H2 2.435e-15 2.458e-15 -14.614 -14.609 0.004 28.60
O(0) 0.000e+00
O2 0.000e+00 0.000e+00 -60.959 -60.954 0.004 30.91
S(-2) 8.836e-23
HS- 5.447e-23 4.473e-23 -22.264 -22.349 -0.086 21.04
H2S 3.389e-23 3.422e-23 -22.470 -22.466 0.004 37.19
S-2 1.680e-28 8.107e-29 -27.775 -28.091 -0.316 (0)
S(6) 1.532e-02
SO4-2 1.050e-02 5.047e-03 -1.979 -2.297 -0.318 14.27
CaSO4 4.817e-03 4.864e-03 -2.317 -2.313 0.004 7.74
HSO4- 7.368e-08 6.112e-08 -7.133 -7.214 -0.081 35.74
CaHSO4+ 4.562e-09 3.783e-09 -8.341 -8.422 -0.081 (0)
------------------------------Saturation indices-------------------------------
Phase SI log IAP log K(305 K, 1 atm)
Anhydrite -0.26 -4.59 -4.32 CaSO4
Gypsum 0.00 -4.59 -4.59 CaSO4:2H2O
H2(g) -11.49 -14.61 -3.12 H2
H2O(g) -1.33 -0.00 1.33 H2O
H2S(g) -21.35 -29.32 -7.98 H2S
O2(g) -58.02 -60.95 -2.94 O2
Sulfur -15.76 -11.04 4.72 S
Reaction step 9.
Using solution 1. Pure water
Using pure phase assemblage 1.
Using temperature 1.
-------------------------------Phase assemblage--------------------------------
Moles in assemblage
Phase SI log IAP log K(T, P) Initial Final Delta
Anhydrite -0.25 -4.59 -4.34 1.000e+00 0 -1.000e+00
Gypsum -0.00 -4.59 -4.59 1.000e+00 1.985e+00 9.852e-01
-----------------------------Solution composition------------------------------
Elements Molality Moles
Ca 1.534e-02 1.479e-02
S 1.534e-02 1.479e-02
----------------------------Description of solution----------------------------
pH = 6.960 Charge balance
pe = -1.245 Adjusted to redox equilibrium
Specific Conductance (uS/cm, 33 oC) = 2568
Density (g/cm3) = 0.99677
Volume (L) = 0.97060
Activity of water = 1.000
Ionic strength = 4.199e-02
Mass of water (kg) = 9.645e-01
Total alkalinity (eq/kg) = 2.289e-10
Total carbon (mol/kg) = 0.000e+00
Total CO2 (mol/kg) = 0.000e+00
Temperature (deg C) = 33.00
Electrical balance (eq) = -2.208e-10
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00
Iterations = 17
Total H = 1.070716e+02
Total O = 5.359497e+01
----------------------------Distribution of species----------------------------
Log Log Log mole V
Species Molality Activity Molality Activity Gamma cm3/mol
OH- 2.010e-07 1.650e-07 -6.697 -6.782 -0.086 -3.55
H+ 1.277e-07 1.097e-07 -6.894 -6.960 -0.066 0.00
H2O 5.551e+01 9.996e-01 1.744 -0.000 0.000 18.11
Ca 1.534e-02
Ca+2 1.050e-02 5.142e-03 -1.979 -2.289 -0.310 -16.83
CaSO4 4.839e-03 4.886e-03 -2.315 -2.311 0.004 7.77
CaOH+ 9.251e-09 7.776e-09 -8.034 -8.109 -0.075 (0)
CaHSO4+ 4.799e-09 3.978e-09 -8.319 -8.400 -0.081 (0)
H(0) 4.831e-15
H2 2.415e-15 2.439e-15 -14.617 -14.613 0.004 28.60
O(0) 0.000e+00
O2 0.000e+00 0.000e+00 -60.645 -60.640 0.004 30.97
S(-2) 6.628e-23
HS- 4.081e-23 3.350e-23 -22.389 -22.475 -0.086 21.07
H2S 2.548e-23 2.572e-23 -22.594 -22.590 0.004 37.19
S-2 1.305e-28 6.290e-29 -27.884 -28.201 -0.317 (0)
S(6) 1.534e-02
SO4-2 1.050e-02 5.041e-03 -1.979 -2.298 -0.319 14.35
CaSO4 4.839e-03 4.886e-03 -2.315 -2.311 0.004 7.77
HSO4- 7.760e-08 6.436e-08 -7.110 -7.191 -0.081 35.79
CaHSO4+ 4.799e-09 3.978e-09 -8.319 -8.400 -0.081 (0)
------------------------------Saturation indices-------------------------------
Phase SI log IAP log K(306 K, 1 atm)
Anhydrite -0.25 -4.59 -4.34 CaSO4
Gypsum -0.00 -4.59 -4.59 CaSO4:2H2O
H2(g) -11.50 -14.61 -3.12 H2
H2O(g) -1.30 -0.00 1.30 H2O
H2S(g) -21.46 -29.43 -7.97 H2S
O2(g) -57.70 -60.64 -2.95 O2
Sulfur -15.86 -11.16 4.70 S
Reaction step 10.
Using solution 1. Pure water
Using pure phase assemblage 1.
Using temperature 1.
-------------------------------Phase assemblage--------------------------------
Moles in assemblage
Phase SI log IAP log K(T, P) Initial Final Delta
Anhydrite -0.24 -4.59 -4.35 1.000e+00 0 -1.000e+00
Gypsum -0.00 -4.59 -4.59 1.000e+00 1.985e+00 9.852e-01
-----------------------------Solution composition------------------------------
Elements Molality Moles
Ca 1.536e-02 1.481e-02
S 1.536e-02 1.481e-02
----------------------------Description of solution----------------------------
pH = 6.947 Charge balance
pe = -1.234 Adjusted to redox equilibrium
Specific Conductance (uS/cm, 34 oC) = 2619
Density (g/cm3) = 0.99643
Volume (L) = 0.97093
Activity of water = 1.000
Ionic strength = 4.198e-02
Mass of water (kg) = 9.645e-01
Total alkalinity (eq/kg) = 2.289e-10
Total carbon (mol/kg) = 0.000e+00
Total CO2 (mol/kg) = 0.000e+00
Temperature (deg C) = 34.00
Electrical balance (eq) = -2.208e-10
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00
Iterations = 20
Total H = 1.070717e+02
Total O = 5.359508e+01
----------------------------Distribution of species----------------------------
Log Log Log mole V
Species Molality Activity Molality Activity Gamma cm3/mol
OH- 2.095e-07 1.719e-07 -6.679 -6.765 -0.086 -3.53
H+ 1.315e-07 1.130e-07 -6.881 -6.947 -0.066 0.00
H2O 5.551e+01 9.996e-01 1.744 -0.000 0.000 18.12
Ca 1.536e-02
Ca+2 1.050e-02 5.134e-03 -1.979 -2.290 -0.311 -16.81
CaSO4 4.860e-03 4.907e-03 -2.313 -2.309 0.004 7.80
CaOH+ 8.972e-09 7.540e-09 -8.047 -8.123 -0.076 (0)
CaHSO4+ 5.046e-09 4.182e-09 -8.297 -8.379 -0.082 (0)
H(0) 4.814e-15
H2 2.407e-15 2.431e-15 -14.618 -14.614 0.004 28.60
O(0) 0.000e+00
O2 0.000e+00 0.000e+00 -60.337 -60.332 0.004 31.04
S(-2) 5.070e-23
HS- 3.117e-23 2.558e-23 -22.506 -22.592 -0.086 21.10
H2S 1.953e-23 1.972e-23 -22.709 -22.705 0.004 37.20
S-2 1.033e-28 4.975e-29 -27.986 -28.303 -0.317 (0)
S(6) 1.536e-02
SO4-2 1.050e-02 5.034e-03 -1.979 -2.298 -0.319 14.43
CaSO4 4.860e-03 4.907e-03 -2.313 -2.309 0.004 7.80
HSO4- 8.172e-08 6.775e-08 -7.088 -7.169 -0.081 35.84
CaHSO4+ 5.046e-09 4.182e-09 -8.297 -8.379 -0.082 (0)
------------------------------Saturation indices-------------------------------
Phase SI log IAP log K(307 K, 1 atm)
Anhydrite -0.24 -4.59 -4.35 CaSO4
Gypsum -0.00 -4.59 -4.59 CaSO4:2H2O
H2(g) -11.50 -14.61 -3.12 H2
H2O(g) -1.28 -0.00 1.28 H2O
H2S(g) -21.57 -29.54 -7.97 H2S
O2(g) -57.38 -60.33 -2.95 O2
Sulfur -15.96 -11.28 4.68 S
Reaction step 11.
Using solution 1. Pure water
Using pure phase assemblage 1.
Using temperature 1.
-------------------------------Phase assemblage--------------------------------
Moles in assemblage
Phase SI log IAP log K(T, P) Initial Final Delta
Anhydrite -0.23 -4.59 -4.36 1.000e+00 0 -1.000e+00
Gypsum 0.00 -4.59 -4.59 1.000e+00 1.985e+00 9.852e-01
-----------------------------Solution composition------------------------------
Elements Molality Moles
Ca 1.537e-02 1.482e-02
S 1.537e-02 1.482e-02
----------------------------Description of solution----------------------------
pH = 6.934 Charge balance
pe = -1.225 Adjusted to redox equilibrium
Specific Conductance (uS/cm, 35 oC) = 2670
Density (g/cm3) = 0.99609
Volume (L) = 0.97126
Activity of water = 1.000
Ionic strength = 4.197e-02
Mass of water (kg) = 9.645e-01
Total alkalinity (eq/kg) = 2.289e-10
Total carbon (mol/kg) = 0.000e+00
Total CO2 (mol/kg) = 0.000e+00
Temperature (deg C) = 35.00
Electrical balance (eq) = -2.098e-10
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00
Iterations = 23
Total H = 1.070717e+02
Total O = 5.359517e+01
----------------------------Distribution of species----------------------------
Log Log Log mole V
Species Molality Activity Molality Activity Gamma cm3/mol
OH- 2.183e-07 1.791e-07 -6.661 -6.747 -0.086 -3.51
H+ 1.354e-07 1.163e-07 -6.868 -6.934 -0.066 0.00
H2O 5.551e+01 9.996e-01 1.744 -0.000 0.000 18.12
Ca 1.537e-02
Ca+2 1.049e-02 5.126e-03 -1.979 -2.290 -0.311 -16.79
CaSO4 4.879e-03 4.927e-03 -2.312 -2.307 0.004 7.83
CaOH+ 8.703e-09 7.311e-09 -8.060 -8.136 -0.076 (0)
CaHSO4+ 5.304e-09 4.394e-09 -8.275 -8.357 -0.082 (0)
H(0) 4.856e-15
H2 2.428e-15 2.452e-15 -14.615 -14.611 0.004 28.60
O(0) 0.000e+00
O2 0.000e+00 0.000e+00 -60.041 -60.037 0.004 31.10
S(-2) 4.077e-23
HS- 2.502e-23 2.053e-23 -22.602 -22.688 -0.086 21.12
H2S 1.574e-23 1.590e-23 -22.803 -22.799 0.004 37.20
S-2 8.599e-29 4.135e-29 -28.066 -28.383 -0.318 (0)
S(6) 1.537e-02
SO4-2 1.049e-02 5.026e-03 -1.979 -2.299 -0.320 14.50
CaSO4 4.879e-03 4.927e-03 -2.312 -2.307 0.004 7.83
HSO4- 8.602e-08 7.129e-08 -7.065 -7.147 -0.082 35.89
CaHSO4+ 5.304e-09 4.394e-09 -8.275 -8.357 -0.082 (0)
------------------------------Saturation indices-------------------------------
Phase SI log IAP log K(308 K, 1 atm)
Anhydrite -0.23 -4.59 -4.36 CaSO4
Gypsum 0.00 -4.59 -4.59 CaSO4:2H2O
H2(g) -11.49 -14.61 -3.12 H2
H2O(g) -1.26 -0.00 1.26 H2O
H2S(g) -21.65 -29.62 -7.97 H2S
O2(g) -57.08 -60.04 -2.96 O2
Sulfur -16.04 -11.38 4.66 S
Reaction step 12.
Using solution 1. Pure water
Using pure phase assemblage 1.
Using temperature 1.
-------------------------------Phase assemblage--------------------------------
Moles in assemblage
Phase SI log IAP log K(T, P) Initial Final Delta
Anhydrite -0.22 -4.59 -4.37 1.000e+00 0 -1.000e+00
Gypsum 0.00 -4.59 -4.59 1.000e+00 1.985e+00 9.852e-01
-----------------------------Solution composition------------------------------
Elements Molality Moles
Ca 1.538e-02 1.484e-02
S 1.538e-02 1.484e-02
----------------------------Description of solution----------------------------
pH = 6.922 Charge balance
pe = -1.214 Adjusted to redox equilibrium
Specific Conductance (uS/cm, 36 oC) = 2720
Density (g/cm3) = 0.99575
Volume (L) = 0.97161
Activity of water = 1.000
Ionic strength = 4.194e-02
Mass of water (kg) = 9.645e-01
Total alkalinity (eq/kg) = 2.289e-10
Total carbon (mol/kg) = 0.000e+00
Total CO2 (mol/kg) = 0.000e+00
Temperature (deg C) = 36.00
Electrical balance (eq) = -2.208e-10
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00
Iterations = 17
Total H = 1.070718e+02
Total O = 5.359524e+01
----------------------------Distribution of species----------------------------
Log Log Log mole V
Species Molality Activity Molality Activity Gamma cm3/mol
OH- 2.273e-07 1.864e-07 -6.643 -6.729 -0.086 -3.49
H+ 1.394e-07 1.197e-07 -6.856 -6.922 -0.066 0.00
H2O 5.551e+01 9.996e-01 1.744 -0.000 0.000 18.13
Ca 1.538e-02
Ca+2 1.049e-02 5.118e-03 -1.979 -2.291 -0.312 -16.77
CaSO4 4.897e-03 4.945e-03 -2.310 -2.306 0.004 7.86
CaOH+ 8.443e-09 7.091e-09 -8.073 -8.149 -0.076 (0)
CaHSO4+ 5.573e-09 4.615e-09 -8.254 -8.336 -0.082 (0)
H(0) 4.837e-15
H2 2.418e-15 2.442e-15 -14.616 -14.612 0.004 28.60
O(0) 0.000e+00
O2 0.000e+00 0.000e+00 -59.736 -59.732 0.004 31.16
S(-2) 3.119e-23
HS- 1.911e-23 1.568e-23 -22.719 -22.805 -0.086 21.15
H2S 1.208e-23 1.220e-23 -22.918 -22.914 0.004 37.20
S-2 6.809e-29 3.271e-29 -28.167 -28.485 -0.318 (0)
S(6) 1.538e-02
SO4-2 1.049e-02 5.018e-03 -1.979 -2.300 -0.320 14.57
CaSO4 4.897e-03 4.945e-03 -2.310 -2.306 0.004 7.86
HSO4- 9.052e-08 7.501e-08 -7.043 -7.125 -0.082 35.93
CaHSO4+ 5.573e-09 4.615e-09 -8.254 -8.336 -0.082 (0)
------------------------------Saturation indices-------------------------------
Phase SI log IAP log K(309 K, 1 atm)
Anhydrite -0.22 -4.59 -4.37 CaSO4
Gypsum 0.00 -4.59 -4.59 CaSO4:2H2O
H2(g) -11.49 -14.61 -3.12 H2
H2O(g) -1.23 -0.00 1.23 H2O
H2S(g) -21.76 -29.73 -7.97 H2S
O2(g) -56.77 -59.73 -2.96 O2
Sulfur -16.13 -11.50 4.63 S
Reaction step 13.
Using solution 1. Pure water
Using pure phase assemblage 1.
Using temperature 1.
-------------------------------Phase assemblage--------------------------------
Moles in assemblage
Phase SI log IAP log K(T, P) Initial Final Delta
Anhydrite -0.21 -4.59 -4.39 1.000e+00 0 -1.000e+00
Gypsum -0.00 -4.59 -4.59 1.000e+00 1.985e+00 9.852e-01
-----------------------------Solution composition------------------------------
Elements Molality Moles
Ca 1.539e-02 1.485e-02
S 1.539e-02 1.485e-02
----------------------------Description of solution----------------------------
pH = 6.909 Charge balance
pe = -1.203 Adjusted to redox equilibrium
Specific Conductance (uS/cm, 37 oC) = 2771
Density (g/cm3) = 0.99539
Volume (L) = 0.97196
Activity of water = 1.000
Ionic strength = 4.191e-02
Mass of water (kg) = 9.645e-01
Total alkalinity (eq/kg) = 2.289e-10
Total carbon (mol/kg) = 0.000e+00
Total CO2 (mol/kg) = 0.000e+00
Temperature (deg C) = 37.00
Electrical balance (eq) = -2.108e-10
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00
Iterations = 16
Total H = 1.070718e+02
Total O = 5.359529e+01
----------------------------Distribution of species----------------------------
Log Log Log mole V
Species Molality Activity Molality Activity Gamma cm3/mol
OH- 2.366e-07 1.940e-07 -6.626 -6.712 -0.086 -3.47
H+ 1.435e-07 1.232e-07 -6.843 -6.909 -0.066 0.00
H2O 5.551e+01 9.996e-01 1.744 -0.000 0.000 18.14
Ca 1.539e-02
Ca+2 1.048e-02 5.109e-03 -1.980 -2.292 -0.312 -16.75
CaSO4 4.914e-03 4.961e-03 -2.309 -2.304 0.004 7.88
CaOH+ 8.193e-09 6.880e-09 -8.087 -8.162 -0.076 (0)
CaHSO4+ 5.852e-09 4.845e-09 -8.233 -8.315 -0.082 (0)
H(0) 4.835e-15
H2 2.418e-15 2.441e-15 -14.617 -14.612 0.004 28.60
O(0) 0.000e+00
O2 0.000e+00 0.000e+00 -59.437 -59.433 0.004 31.22
S(-2) 2.427e-23
HS- 1.485e-23 1.217e-23 -22.828 -22.915 -0.086 21.17
H2S 9.423e-24 9.514e-24 -23.026 -23.022 0.004 37.20
S-2 5.481e-29 2.630e-29 -28.261 -28.580 -0.319 (0)
S(6) 1.539e-02
SO4-2 1.048e-02 5.009e-03 -1.980 -2.300 -0.321 14.63
CaSO4 4.914e-03 4.961e-03 -2.309 -2.304 0.004 7.88
HSO4- 9.524e-08 7.889e-08 -7.021 -7.103 -0.082 35.97
CaHSO4+ 5.852e-09 4.845e-09 -8.233 -8.315 -0.082 (0)
------------------------------Saturation indices-------------------------------
Phase SI log IAP log K(310 K, 1 atm)
Anhydrite -0.21 -4.59 -4.39 CaSO4
Gypsum -0.00 -4.59 -4.59 CaSO4:2H2O
H2(g) -11.49 -14.61 -3.12 H2
H2O(g) -1.21 -0.00 1.21 H2O
H2S(g) -21.86 -29.82 -7.97 H2S
O2(g) -56.46 -59.43 -2.97 O2
Sulfur -16.22 -11.61 4.61 S
Reaction step 14.
Using solution 1. Pure water
Using pure phase assemblage 1.
Using temperature 1.
-------------------------------Phase assemblage--------------------------------
Moles in assemblage
Phase SI log IAP log K(T, P) Initial Final Delta
Anhydrite -0.19 -4.59 -4.40 1.000e+00 0 -1.000e+00
Gypsum -0.00 -4.59 -4.59 1.000e+00 1.985e+00 9.851e-01
-----------------------------Solution composition------------------------------
Elements Molality Moles
Ca 1.540e-02 1.485e-02
S 1.540e-02 1.485e-02
----------------------------Description of solution----------------------------
pH = 6.897 Charge balance
pe = -1.193 Adjusted to redox equilibrium
Specific Conductance (uS/cm, 38 oC) = 2822
Density (g/cm3) = 0.99503
Volume (L) = 0.97231
Activity of water = 1.000
Ionic strength = 4.188e-02
Mass of water (kg) = 9.645e-01
Total alkalinity (eq/kg) = 2.289e-10
Total carbon (mol/kg) = 0.000e+00
Total CO2 (mol/kg) = 0.000e+00
Temperature (deg C) = 38.00
Electrical balance (eq) = -2.121e-10
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00
Iterations = 16
Total H = 1.070718e+02
Total O = 5.359533e+01
----------------------------Distribution of species----------------------------
Log Log Log mole V
Species Molality Activity Molality Activity Gamma cm3/mol
OH- 2.462e-07 2.018e-07 -6.609 -6.695 -0.086 -3.45
H+ 1.476e-07 1.267e-07 -6.831 -6.897 -0.066 0.00
H2O 5.551e+01 9.996e-01 1.744 -0.000 0.000 18.14
Ca 1.540e-02
Ca+2 1.047e-02 5.099e-03 -1.980 -2.293 -0.312 -16.74
CaSO4 4.929e-03 4.977e-03 -2.307 -2.303 0.004 7.91
CaOH+ 7.952e-09 6.675e-09 -8.100 -8.176 -0.076 (0)
CaHSO4+ 6.144e-09 5.085e-09 -8.212 -8.294 -0.082 (0)
H(0) 4.833e-15
H2 2.417e-15 2.440e-15 -14.617 -14.613 0.004 28.59
O(0) 0.000e+00
O2 0.000e+00 0.000e+00 -59.139 -59.135 0.004 31.28
S(-2) 1.890e-23
HS- 1.154e-23 9.457e-24 -22.938 -23.024 -0.086 21.19
H2S 7.358e-24 7.429e-24 -23.133 -23.129 0.004 37.21
S-2 4.414e-29 2.116e-29 -28.355 -28.674 -0.319 (0)
S(6) 1.540e-02
SO4-2 1.047e-02 4.999e-03 -1.980 -2.301 -0.321 14.70
CaSO4 4.929e-03 4.977e-03 -2.307 -2.303 0.004 7.91
HSO4- 1.002e-07 8.295e-08 -6.999 -7.081 -0.082 36.01
CaHSO4+ 6.144e-09 5.085e-09 -8.212 -8.294 -0.082 (0)
------------------------------Saturation indices-------------------------------
Phase SI log IAP log K(311 K, 1 atm)
Anhydrite -0.19 -4.59 -4.40 CaSO4
Gypsum -0.00 -4.59 -4.59 CaSO4:2H2O
H2(g) -11.49 -14.61 -3.13 H2
H2O(g) -1.18 -0.00 1.18 H2O
H2S(g) -21.96 -29.92 -7.97 H2S
O2(g) -56.16 -59.14 -2.97 O2
Sulfur -16.31 -11.72 4.59 S
Reaction step 15.
Using solution 1. Pure water
Using pure phase assemblage 1.
Using temperature 1.
-------------------------------Phase assemblage--------------------------------
Moles in assemblage
Phase SI log IAP log K(T, P) Initial Final Delta
Anhydrite -0.18 -4.60 -4.41 1.000e+00 0 -1.000e+00
Gypsum -0.00 -4.60 -4.60 1.000e+00 1.985e+00 9.851e-01
-----------------------------Solution composition------------------------------
Elements Molality Moles
Ca 1.540e-02 1.486e-02
S 1.540e-02 1.486e-02
----------------------------Description of solution----------------------------
pH = 6.885 Charge balance
pe = -1.183 Adjusted to redox equilibrium
Specific Conductance (uS/cm, 39 oC) = 2872
Density (g/cm3) = 0.99465
Volume (L) = 0.97268
Activity of water = 1.000
Ionic strength = 4.184e-02
Mass of water (kg) = 9.645e-01
Total alkalinity (eq/kg) = 2.289e-10
Total carbon (mol/kg) = 0.000e+00
Total CO2 (mol/kg) = 0.000e+00
Temperature (deg C) = 39.00
Electrical balance (eq) = -2.133e-10
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00
Iterations = 16
Total H = 1.070719e+02
Total O = 5.359535e+01
----------------------------Distribution of species----------------------------
Log Log Log mole V
Species Molality Activity Molality Activity Gamma cm3/mol
OH- 2.561e-07 2.099e-07 -6.592 -6.678 -0.087 -3.44
H+ 1.519e-07 1.303e-07 -6.819 -6.885 -0.067 0.00
H2O 5.551e+01 9.996e-01 1.744 -0.000 0.000 18.15
Ca 1.540e-02
Ca+2 1.046e-02 5.089e-03 -1.981 -2.293 -0.313 -16.73
CaSO4 4.943e-03 4.991e-03 -2.306 -2.302 0.004 7.94
CaOH+ 7.719e-09 6.479e-09 -8.112 -8.189 -0.076 (0)
CaHSO4+ 6.446e-09 5.334e-09 -8.191 -8.273 -0.082 (0)
H(0) 4.837e-15
H2 2.418e-15 2.442e-15 -14.616 -14.612 0.004 28.59
O(0) 0.000e+00
O2 0.000e+00 0.000e+00 -58.844 -58.840 0.004 31.34
S(-2) 1.480e-23
HS- 9.022e-24 7.393e-24 -23.045 -23.131 -0.087 21.21
H2S 5.781e-24 5.837e-24 -23.238 -23.234 0.004 37.21
S-2 3.576e-29 1.713e-29 -28.447 -28.766 -0.320 (0)
S(6) 1.540e-02
SO4-2 1.046e-02 4.989e-03 -1.981 -2.302 -0.321 14.75
CaSO4 4.943e-03 4.991e-03 -2.306 -2.302 0.004 7.94
HSO4- 1.053e-07 8.719e-08 -6.978 -7.060 -0.082 36.05
CaHSO4+ 6.446e-09 5.334e-09 -8.191 -8.273 -0.082 (0)
------------------------------Saturation indices-------------------------------
Phase SI log IAP log K(312 K, 1 atm)
Anhydrite -0.18 -4.60 -4.41 CaSO4
Gypsum -0.00 -4.60 -4.60 CaSO4:2H2O
H2(g) -11.49 -14.61 -3.13 H2
H2O(g) -1.16 -0.00 1.16 H2O
H2S(g) -22.05 -30.02 -7.96 H2S
O2(g) -55.86 -58.84 -2.98 O2
Sulfur -16.40 -11.83 4.57 S
Reaction step 16.
Using solution 1. Pure water
Using pure phase assemblage 1.
Using temperature 1.
-------------------------------Phase assemblage--------------------------------
Moles in assemblage
Phase SI log IAP log K(T, P) Initial Final Delta
Anhydrite -0.17 -4.60 -4.42 1.000e+00 0 -1.000e+00
Gypsum 0.00 -4.60 -4.60 1.000e+00 1.985e+00 9.851e-01
-----------------------------Solution composition------------------------------
Elements Molality Moles
Ca 1.540e-02 1.486e-02
S 1.540e-02 1.486e-02
----------------------------Description of solution----------------------------
pH = 6.873 Charge balance
pe = -1.173 Adjusted to redox equilibrium
Specific Conductance (uS/cm, 40 oC) = 2923
Density (g/cm3) = 0.99427
Volume (L) = 0.97305
Activity of water = 1.000
Ionic strength = 4.179e-02
Mass of water (kg) = 9.645e-01
Total alkalinity (eq/kg) = 2.289e-10
Total carbon (mol/kg) = 0.000e+00
Total CO2 (mol/kg) = 0.000e+00
Temperature (deg C) = 40.00
Electrical balance (eq) = -2.144e-10
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00
Iterations = 16
Total H = 1.070719e+02
Total O = 5.359535e+01
----------------------------Distribution of species----------------------------
Log Log Log mole V
Species Molality Activity Molality Activity Gamma cm3/mol
OH- 2.663e-07 2.182e-07 -6.575 -6.661 -0.087 -3.43
H+ 1.561e-07 1.339e-07 -6.807 -6.873 -0.067 0.00
H2O 5.551e+01 9.996e-01 1.744 -0.000 0.000 18.16
Ca 1.540e-02
Ca+2 1.045e-02 5.078e-03 -1.981 -2.294 -0.313 -16.71
CaSO4 4.956e-03 5.004e-03 -2.305 -2.301 0.004 7.96
CaOH+ 7.495e-09 6.289e-09 -8.125 -8.201 -0.076 (0)
CaHSO4+ 6.761e-09 5.593e-09 -8.170 -8.252 -0.082 (0)
H(0) 4.849e-15
H2 2.425e-15 2.448e-15 -14.615 -14.611 0.004 28.59
O(0) 0.000e+00
O2 0.000e+00 0.000e+00 -58.553 -58.549 0.004 31.40
S(-2) 1.170e-23
HS- 7.114e-24 5.828e-24 -23.148 -23.234 -0.087 21.23
H2S 4.582e-24 4.626e-24 -23.339 -23.335 0.004 37.21
S-2 2.922e-29 1.398e-29 -28.534 -28.855 -0.320 (0)
S(6) 1.540e-02
SO4-2 1.045e-02 4.978e-03 -1.981 -2.303 -0.322 14.80
CaSO4 4.956e-03 5.004e-03 -2.305 -2.301 0.004 7.96
HSO4- 1.107e-07 9.162e-08 -6.956 -7.038 -0.082 36.09
CaHSO4+ 6.761e-09 5.593e-09 -8.170 -8.252 -0.082 (0)
------------------------------Saturation indices-------------------------------
Phase SI log IAP log K(313 K, 1 atm)
Anhydrite -0.17 -4.60 -4.42 CaSO4
Gypsum 0.00 -4.60 -4.60 CaSO4:2H2O
H2(g) -11.48 -14.61 -3.13 H2
H2O(g) -1.14 -0.00 1.14 H2O
H2S(g) -22.15 -30.11 -7.96 H2S
O2(g) -55.56 -58.55 -2.98 O2
Sulfur -16.48 -11.94 4.55 S
Reaction step 17.
Using solution 1. Pure water
Using pure phase assemblage 1.
Using temperature 1.
-------------------------------Phase assemblage--------------------------------
Moles in assemblage
Phase SI log IAP log K(T, P) Initial Final Delta
Anhydrite -0.16 -4.60 -4.44 1.000e+00 0 -1.000e+00
Gypsum 0.00 -4.60 -4.60 1.000e+00 1.985e+00 9.851e-01
-----------------------------Solution composition------------------------------
Elements Molality Moles
Ca 1.540e-02 1.485e-02
S 1.540e-02 1.485e-02
----------------------------Description of solution----------------------------
pH = 6.861 Charge balance
pe = -1.163 Adjusted to redox equilibrium
Specific Conductance (uS/cm, 41 oC) = 2973
Density (g/cm3) = 0.99388
Volume (L) = 0.97343
Activity of water = 1.000
Ionic strength = 4.174e-02
Mass of water (kg) = 9.645e-01
Total alkalinity (eq/kg) = 2.289e-10
Total carbon (mol/kg) = 0.000e+00
Total CO2 (mol/kg) = 0.000e+00
Temperature (deg C) = 41.00
Electrical balance (eq) = -2.175e-10
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00
Iterations = 18
Total H = 1.070719e+02
Total O = 5.359534e+01
----------------------------Distribution of species----------------------------
Log Log Log mole V
Species Molality Activity Molality Activity Gamma cm3/mol
OH- 2.768e-07 2.267e-07 -6.558 -6.645 -0.087 -3.42
H+ 1.605e-07 1.376e-07 -6.795 -6.861 -0.067 0.00
H2O 5.551e+01 9.996e-01 1.744 -0.000 0.000 18.16
Ca 1.540e-02
Ca+2 1.043e-02 5.066e-03 -1.982 -2.295 -0.314 -16.70
CaSO4 4.967e-03 5.015e-03 -2.304 -2.300 0.004 7.99
CaOH+ 7.279e-09 6.106e-09 -8.138 -8.214 -0.076 (0)
CaHSO4+ 7.089e-09 5.862e-09 -8.149 -8.232 -0.083 (0)
H(0) 4.834e-15
H2 2.417e-15 2.440e-15 -14.617 -14.613 0.004 28.59
O(0) 0.000e+00
O2 0.000e+00 0.000e+00 -58.259 -58.255 0.004 31.46
S(-2) 9.048e-24
HS- 5.492e-24 4.498e-24 -23.260 -23.347 -0.087 21.25
H2S 3.555e-24 3.590e-24 -23.449 -23.445 0.004 37.22
S-2 2.337e-29 1.117e-29 -28.631 -28.952 -0.321 (0)
S(6) 1.540e-02
SO4-2 1.043e-02 4.967e-03 -1.982 -2.304 -0.322 14.85
CaSO4 4.967e-03 5.015e-03 -2.304 -2.300 0.004 7.99
HSO4- 1.163e-07 9.625e-08 -6.934 -7.017 -0.082 36.12
CaHSO4+ 7.089e-09 5.862e-09 -8.149 -8.232 -0.083 (0)
------------------------------Saturation indices-------------------------------
Phase SI log IAP log K(314 K, 1 atm)
Anhydrite -0.16 -4.60 -4.44 CaSO4
Gypsum 0.00 -4.60 -4.60 CaSO4:2H2O
H2(g) -11.48 -14.61 -3.13 H2
H2O(g) -1.12 -0.00 1.12 H2O
H2S(g) -22.25 -30.21 -7.96 H2S
O2(g) -55.27 -58.25 -2.99 O2
Sulfur -16.58 -12.05 4.53 S
Reaction step 18.
Using solution 1. Pure water
Using pure phase assemblage 1.
Using temperature 1.
-------------------------------Phase assemblage--------------------------------
Moles in assemblage
Phase SI log IAP log K(T, P) Initial Final Delta
Anhydrite -0.15 -4.60 -4.45 1.000e+00 0 -1.000e+00
Gypsum -0.00 -4.60 -4.60 1.000e+00 1.985e+00 9.852e-01
-----------------------------Solution composition------------------------------
Elements Molality Moles
Ca 1.540e-02 1.485e-02
S 1.540e-02 1.485e-02
----------------------------Description of solution----------------------------
pH = 6.850 Charge balance
pe = -1.154 Adjusted to redox equilibrium
Specific Conductance (uS/cm, 42 oC) = 3023
Density (g/cm3) = 0.99349
Volume (L) = 0.97382
Activity of water = 1.000
Ionic strength = 4.168e-02
Mass of water (kg) = 9.645e-01
Total alkalinity (eq/kg) = 2.289e-10
Total carbon (mol/kg) = 0.000e+00
Total CO2 (mol/kg) = 0.000e+00
Temperature (deg C) = 42.00
Electrical balance (eq) = -2.162e-10
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00
Iterations = 16
Total H = 1.070718e+02
Total O = 5.359532e+01
----------------------------Distribution of species----------------------------
Log Log Log mole V
Species Molality Activity Molality Activity Gamma cm3/mol
OH- 2.877e-07 2.355e-07 -6.541 -6.628 -0.087 -3.41
H+ 1.649e-07 1.414e-07 -6.783 -6.850 -0.067 0.00
H2O 5.551e+01 9.996e-01 1.744 -0.000 0.000 18.17
Ca 1.540e-02
Ca+2 1.042e-02 5.054e-03 -1.982 -2.296 -0.314 -16.69
CaSO4 4.977e-03 5.025e-03 -2.303 -2.299 0.004 8.01
CaHSO4+ 7.429e-09 6.142e-09 -8.129 -8.212 -0.083 (0)
CaOH+ 7.071e-09 5.930e-09 -8.151 -8.227 -0.076 (0)
H(0) 4.846e-15
H2 2.423e-15 2.446e-15 -14.616 -14.611 0.004 28.59
O(0) 0.000e+00
O2 0.000e+00 0.000e+00 -57.971 -57.967 0.004 31.51
S(-2) 7.164e-24
HS- 4.340e-24 3.553e-24 -23.363 -23.449 -0.087 21.26
H2S 2.824e-24 2.851e-24 -23.549 -23.545 0.004 37.22
S-2 1.913e-29 9.133e-30 -28.718 -29.039 -0.321 (0)
S(6) 1.540e-02
SO4-2 1.042e-02 4.956e-03 -1.982 -2.305 -0.323 14.90
CaSO4 4.977e-03 5.025e-03 -2.303 -2.299 0.004 8.01
HSO4- 1.222e-07 1.011e-07 -6.913 -6.995 -0.082 36.15
CaHSO4+ 7.429e-09 6.142e-09 -8.129 -8.212 -0.083 (0)
------------------------------Saturation indices-------------------------------
Phase SI log IAP log K(315 K, 1 atm)
Anhydrite -0.15 -4.60 -4.45 CaSO4
Gypsum -0.00 -4.60 -4.60 CaSO4:2H2O
H2(g) -11.48 -14.61 -3.13 H2
H2O(g) -1.09 -0.00 1.09 H2O
H2S(g) -22.34 -30.30 -7.96 H2S
O2(g) -54.97 -57.97 -2.99 O2
Sulfur -16.66 -12.15 4.51 S
Reaction step 19.
Using solution 1. Pure water
Using pure phase assemblage 1.
Using temperature 1.
-------------------------------Phase assemblage--------------------------------
Moles in assemblage
Phase SI log IAP log K(T, P) Initial Final Delta
Anhydrite -0.14 -4.60 -4.46 1.000e+00 0 -1.000e+00
Gypsum -0.00 -4.60 -4.60 1.000e+00 1.985e+00 9.852e-01
-----------------------------Solution composition------------------------------
Elements Molality Moles
Ca 1.539e-02 1.484e-02
S 1.539e-02 1.484e-02
----------------------------Description of solution----------------------------
pH = 6.838 Charge balance
pe = -1.145 Adjusted to redox equilibrium
Specific Conductance (uS/cm, 43 oC) = 3073
Density (g/cm3) = 0.99309
Volume (L) = 0.97421
Activity of water = 1.000
Ionic strength = 4.161e-02
Mass of water (kg) = 9.645e-01
Total alkalinity (eq/kg) = 2.289e-10
Total carbon (mol/kg) = 0.000e+00
Total CO2 (mol/kg) = 0.000e+00
Temperature (deg C) = 43.00
Electrical balance (eq) = -2.171e-10
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00
Iterations = 16
Total H = 1.070718e+02
Total O = 5.359527e+01
----------------------------Distribution of species----------------------------
Log Log Log mole V
Species Molality Activity Molality Activity Gamma cm3/mol
OH- 2.988e-07 2.446e-07 -6.525 -6.612 -0.087 -3.40
H+ 1.694e-07 1.452e-07 -6.771 -6.838 -0.067 0.00
H2O 5.551e+01 9.996e-01 1.744 -0.000 0.000 18.18
Ca 1.539e-02
Ca+2 1.040e-02 5.042e-03 -1.983 -2.297 -0.315 -16.69
CaSO4 4.986e-03 5.034e-03 -2.302 -2.298 0.004 8.04
CaHSO4+ 7.782e-09 6.432e-09 -8.109 -8.192 -0.083 (0)
CaOH+ 6.870e-09 5.760e-09 -8.163 -8.240 -0.077 (0)
H(0) 4.862e-15
H2 2.431e-15 2.454e-15 -14.614 -14.610 0.004 28.59
O(0) 0.000e+00
O2 0.000e+00 0.000e+00 -57.686 -57.682 0.004 31.57
S(-2) 5.700e-24
HS- 3.446e-24 2.820e-24 -23.463 -23.550 -0.087 21.28
H2S 2.255e-24 2.276e-24 -23.647 -23.643 0.004 37.22
S-2 1.573e-29 7.505e-30 -28.803 -29.125 -0.321 (0)
S(6) 1.539e-02
SO4-2 1.040e-02 4.943e-03 -1.983 -2.306 -0.323 14.94
CaSO4 4.986e-03 5.034e-03 -2.302 -2.298 0.004 8.04
HSO4- 1.283e-07 1.061e-07 -6.892 -6.974 -0.082 36.18
CaHSO4+ 7.782e-09 6.432e-09 -8.109 -8.192 -0.083 (0)
------------------------------Saturation indices-------------------------------
Phase SI log IAP log K(316 K, 1 atm)
Anhydrite -0.14 -4.60 -4.46 CaSO4
Gypsum -0.00 -4.60 -4.60 CaSO4:2H2O
H2(g) -11.48 -14.61 -3.13 H2
H2O(g) -1.07 -0.00 1.07 H2O
H2S(g) -22.43 -30.39 -7.96 H2S
O2(g) -54.68 -57.68 -3.00 O2
Sulfur -16.74 -12.26 4.49 S
Reaction step 20.
Using solution 1. Pure water
Using pure phase assemblage 1.
Using temperature 1.
-------------------------------Phase assemblage--------------------------------
Moles in assemblage
Phase SI log IAP log K(T, P) Initial Final Delta
Anhydrite -0.13 -4.61 -4.47 1.000e+00 0 -1.000e+00
Gypsum -0.00 -4.61 -4.61 1.000e+00 1.985e+00 9.852e-01
-----------------------------Solution composition------------------------------
Elements Molality Moles
Ca 1.538e-02 1.483e-02
S 1.538e-02 1.483e-02
----------------------------Description of solution----------------------------
pH = 6.827 Charge balance
pe = -1.135 Adjusted to redox equilibrium
Specific Conductance (uS/cm, 44 oC) = 3122
Density (g/cm3) = 0.99267
Volume (L) = 0.97461
Activity of water = 1.000
Ionic strength = 4.154e-02
Mass of water (kg) = 9.645e-01
Total alkalinity (eq/kg) = 2.289e-10
Total carbon (mol/kg) = 0.000e+00
Total CO2 (mol/kg) = 0.000e+00
Temperature (deg C) = 44.00
Electrical balance (eq) = -2.178e-10
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00
Iterations = 16
Total H = 1.070718e+02
Total O = 5.359521e+01
----------------------------Distribution of species----------------------------
Log Log Log mole V
Species Molality Activity Molality Activity Gamma cm3/mol
OH- 3.103e-07 2.539e-07 -6.508 -6.595 -0.087 -3.40
H+ 1.739e-07 1.490e-07 -6.760 -6.827 -0.067 0.00
H2O 5.551e+01 9.996e-01 1.744 -0.000 0.000 18.19
Ca 1.538e-02
Ca+2 1.039e-02 5.028e-03 -1.984 -2.299 -0.315 -16.68
CaSO4 4.993e-03 5.041e-03 -2.302 -2.297 0.004 8.06
CaHSO4+ 8.148e-09 6.733e-09 -8.089 -8.172 -0.083 (0)
CaOH+ 6.676e-09 5.597e-09 -8.175 -8.252 -0.077 (0)
H(0) 4.850e-15
H2 2.425e-15 2.448e-15 -14.615 -14.611 0.004 28.59
O(0) 0.000e+00
O2 0.000e+00 0.000e+00 -57.398 -57.394 0.004 31.62
S(-2) 4.438e-24
HS- 2.676e-24 2.190e-24 -23.572 -23.660 -0.087 21.29
H2S 1.761e-24 1.778e-24 -23.754 -23.750 0.004 37.22
S-2 1.266e-29 6.033e-30 -28.898 -29.219 -0.322 (0)
S(6) 1.538e-02
SO4-2 1.039e-02 4.931e-03 -1.984 -2.307 -0.324 14.98
CaSO4 4.993e-03 5.041e-03 -2.302 -2.297 0.004 8.06
HSO4- 1.347e-07 1.114e-07 -6.871 -6.953 -0.083 36.21
CaHSO4+ 8.148e-09 6.733e-09 -8.089 -8.172 -0.083 (0)
------------------------------Saturation indices-------------------------------
Phase SI log IAP log K(317 K, 1 atm)
Anhydrite -0.13 -4.61 -4.47 CaSO4
Gypsum -0.00 -4.61 -4.61 CaSO4:2H2O
H2(g) -11.48 -14.61 -3.13 H2
H2O(g) -1.05 -0.00 1.05 H2O
H2S(g) -22.53 -30.49 -7.96 H2S
O2(g) -54.39 -57.39 -3.00 O2
Sulfur -16.83 -12.37 4.46 S
Reaction step 21.
Using solution 1. Pure water
Using pure phase assemblage 1.
Using temperature 1.
-------------------------------Phase assemblage--------------------------------
Moles in assemblage
Phase SI log IAP log K(T, P) Initial Final Delta
Anhydrite -0.12 -4.61 -4.49 1.000e+00 0 -1.000e+00
Gypsum 0.00 -4.61 -4.61 1.000e+00 1.985e+00 9.852e-01
-----------------------------Solution composition------------------------------
Elements Molality Moles
Ca 1.537e-02 1.482e-02
S 1.537e-02 1.482e-02
----------------------------Description of solution----------------------------
pH = 6.815 Charge balance
pe = -1.125 Adjusted to redox equilibrium
Specific Conductance (uS/cm, 45 oC) = 3171
Density (g/cm3) = 0.99226
Volume (L) = 0.97502
Activity of water = 1.000
Ionic strength = 4.147e-02
Mass of water (kg) = 9.645e-01
Total alkalinity (eq/kg) = 2.289e-10
Total carbon (mol/kg) = 0.000e+00
Total CO2 (mol/kg) = 0.000e+00
Temperature (deg C) = 45.00
Electrical balance (eq) = -2.195e-10
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00
Iterations = 19
Total H = 1.070717e+02
Total O = 5.359514e+01
----------------------------Distribution of species----------------------------
Log Log Log mole V
Species Molality Activity Molality Activity Gamma cm3/mol
OH- 3.221e-07 2.635e-07 -6.492 -6.579 -0.087 -3.40
H+ 1.785e-07 1.530e-07 -6.748 -6.815 -0.067 0.00
H2O 5.551e+01 9.996e-01 1.744 -0.000 0.000 18.19
Ca 1.537e-02
Ca+2 1.037e-02 5.015e-03 -1.984 -2.300 -0.315 -16.67
CaSO4 4.999e-03 5.047e-03 -2.301 -2.297 0.004 8.08
CaHSO4+ 8.528e-09 7.046e-09 -8.069 -8.152 -0.083 (0)
CaOH+ 6.489e-09 5.439e-09 -8.188 -8.264 -0.077 (0)
H(0) 4.837e-15
H2 2.418e-15 2.442e-15 -14.616 -14.612 0.004 28.59
O(0) 0.000e+00
O2 0.000e+00 0.000e+00 -57.111 -57.107 0.004 31.67
S(-2) 3.456e-24
HS- 2.080e-24 1.701e-24 -23.682 -23.769 -0.087 21.30
H2S 1.376e-24 1.390e-24 -23.861 -23.857 0.004 37.23
S-2 1.019e-29 4.851e-30 -28.992 -29.314 -0.322 (0)
S(6) 1.537e-02
SO4-2 1.037e-02 4.918e-03 -1.984 -2.308 -0.324 15.01
CaSO4 4.999e-03 5.047e-03 -2.301 -2.297 0.004 8.08
HSO4- 1.414e-07 1.169e-07 -6.850 -6.932 -0.083 36.24
CaHSO4+ 8.528e-09 7.046e-09 -8.069 -8.152 -0.083 (0)
------------------------------Saturation indices-------------------------------
Phase SI log IAP log K(318 K, 1 atm)
Anhydrite -0.12 -4.61 -4.49 CaSO4
Gypsum 0.00 -4.61 -4.61 CaSO4:2H2O
H2(g) -11.48 -14.61 -3.13 H2
H2O(g) -1.03 -0.00 1.03 H2O
H2S(g) -22.63 -30.58 -7.95 H2S
O2(g) -54.10 -57.11 -3.01 O2
Sulfur -16.92 -12.48 4.44 S
Reaction step 22.
Using solution 1. Pure water
Using pure phase assemblage 1.
Using temperature 1.
-------------------------------Phase assemblage--------------------------------
Moles in assemblage
Phase SI log IAP log K(T, P) Initial Final Delta
Anhydrite -0.11 -4.61 -4.50 1.000e+00 0 -1.000e+00
Gypsum -0.00 -4.61 -4.61 1.000e+00 1.985e+00 9.852e-01
-----------------------------Solution composition------------------------------
Elements Molality Moles
Ca 1.535e-02 1.481e-02
S 1.535e-02 1.481e-02
----------------------------Description of solution----------------------------
pH = 6.804 Charge balance
pe = -1.117 Adjusted to redox equilibrium
Specific Conductance (uS/cm, 46 oC) = 3220
Density (g/cm3) = 0.99183
Volume (L) = 0.97543
Activity of water = 1.000
Ionic strength = 4.139e-02
Mass of water (kg) = 9.645e-01
Total alkalinity (eq/kg) = 2.289e-10
Total carbon (mol/kg) = 0.000e+00
Total CO2 (mol/kg) = 0.000e+00
Temperature (deg C) = 46.00
Electrical balance (eq) = -2.192e-10
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00
Iterations = 16
Total H = 1.070717e+02
Total O = 5.359505e+01
----------------------------Distribution of species----------------------------
Log Log Log mole V
Species Molality Activity Molality Activity Gamma cm3/mol
OH- 3.343e-07 2.734e-07 -6.476 -6.563 -0.087 -3.40
H+ 1.831e-07 1.569e-07 -6.737 -6.804 -0.067 0.00
H2O 5.551e+01 9.996e-01 1.744 -0.000 0.000 18.20
Ca 1.535e-02
Ca+2 1.035e-02 5.001e-03 -1.985 -2.301 -0.316 -16.67
CaSO4 5.004e-03 5.052e-03 -2.301 -2.297 0.004 8.11
CaHSO4+ 8.922e-09 7.369e-09 -8.050 -8.133 -0.083 (0)
CaOH+ 6.309e-09 5.287e-09 -8.200 -8.277 -0.077 (0)
H(0) 4.878e-15
H2 2.439e-15 2.462e-15 -14.613 -14.609 0.004 28.59
O(0) 0.000e+00
O2 0.000e+00 0.000e+00 -56.836 -56.832 0.004 31.72
S(-2) 2.819e-24
HS- 1.692e-24 1.384e-24 -23.772 -23.859 -0.087 21.31
H2S 1.127e-24 1.137e-24 -23.948 -23.944 0.004 37.23
S-2 8.584e-30 4.084e-30 -29.066 -29.389 -0.323 (0)
S(6) 1.535e-02
SO4-2 1.035e-02 4.904e-03 -1.985 -2.309 -0.324 15.04
CaSO4 5.004e-03 5.052e-03 -2.301 -2.297 0.004 8.11
HSO4- 1.483e-07 1.226e-07 -6.829 -6.912 -0.083 36.27
CaHSO4+ 8.922e-09 7.369e-09 -8.050 -8.133 -0.083 (0)
------------------------------Saturation indices-------------------------------
Phase SI log IAP log K(319 K, 1 atm)
Anhydrite -0.11 -4.61 -4.50 CaSO4
Gypsum -0.00 -4.61 -4.61 CaSO4:2H2O
H2(g) -11.47 -14.61 -3.13 H2
H2O(g) -1.00 -0.00 1.00 H2O
H2S(g) -22.71 -30.66 -7.95 H2S
O2(g) -53.82 -56.83 -3.01 O2
Sulfur -16.99 -12.57 4.42 S
Reaction step 23.
Using solution 1. Pure water
Using pure phase assemblage 1.
Using temperature 1.
-------------------------------Phase assemblage--------------------------------
Moles in assemblage
Phase SI log IAP log K(T, P) Initial Final Delta
Anhydrite -0.10 -4.61 -4.51 1.000e+00 0 -1.000e+00
Gypsum 0.00 -4.61 -4.61 1.000e+00 1.985e+00 9.852e-01
-----------------------------Solution composition------------------------------
Elements Molality Moles
Ca 1.533e-02 1.479e-02
S 1.533e-02 1.479e-02
----------------------------Description of solution----------------------------
pH = 6.793 Charge balance
pe = -1.108 Adjusted to redox equilibrium
Specific Conductance (uS/cm, 47 oC) = 3269
Density (g/cm3) = 0.99140
Volume (L) = 0.97586
Activity of water = 1.000
Ionic strength = 4.130e-02
Mass of water (kg) = 9.645e-01
Total alkalinity (eq/kg) = 2.289e-10
Total carbon (mol/kg) = 0.000e+00
Total CO2 (mol/kg) = 0.000e+00
Temperature (deg C) = 47.00
Electrical balance (eq) = -2.198e-10
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00
Iterations = 16
Total H = 1.070716e+02
Total O = 5.359495e+01
----------------------------Distribution of species----------------------------
Log Log Log mole V
Species Molality Activity Molality Activity Gamma cm3/mol
OH- 3.468e-07 2.836e-07 -6.460 -6.547 -0.087 -3.40
H+ 1.878e-07 1.609e-07 -6.726 -6.793 -0.067 0.00
H2O 5.551e+01 9.996e-01 1.744 -0.000 0.000 18.21
Ca 1.533e-02
Ca+2 1.032e-02 4.986e-03 -1.986 -2.302 -0.316 -16.66
CaSO4 5.008e-03 5.056e-03 -2.300 -2.296 0.004 8.13
CaHSO4+ 9.331e-09 7.705e-09 -8.030 -8.113 -0.083 (0)
CaOH+ 6.135e-09 5.140e-09 -8.212 -8.289 -0.077 (0)
H(0) 4.862e-15
H2 2.431e-15 2.454e-15 -14.614 -14.610 0.004 28.59
O(0) 0.000e+00
O2 0.000e+00 0.000e+00 -56.552 -56.548 0.004 31.77
S(-2) 2.195e-24
HS- 1.315e-24 1.075e-24 -23.881 -23.969 -0.087 21.32
H2S 8.805e-25 8.889e-25 -24.055 -24.051 0.004 37.23
S-2 6.906e-30 3.283e-30 -29.161 -29.484 -0.323 (0)
S(6) 1.533e-02
SO4-2 1.032e-02 4.890e-03 -1.986 -2.311 -0.325 15.07
CaSO4 5.008e-03 5.056e-03 -2.300 -2.296 0.004 8.13
HSO4- 1.555e-07 1.285e-07 -6.808 -6.891 -0.083 36.29
CaHSO4+ 9.331e-09 7.705e-09 -8.030 -8.113 -0.083 (0)
------------------------------Saturation indices-------------------------------
Phase SI log IAP log K(320 K, 1 atm)
Anhydrite -0.10 -4.61 -4.51 CaSO4
Gypsum 0.00 -4.61 -4.61 CaSO4:2H2O
H2(g) -11.48 -14.61 -3.13 H2
H2O(g) -0.98 -0.00 0.98 H2O
H2S(g) -22.81 -30.76 -7.95 H2S
O2(g) -53.53 -56.55 -3.02 O2
Sulfur -17.08 -12.68 4.40 S
Reaction step 24.
Using solution 1. Pure water
Using pure phase assemblage 1.
Using temperature 1.
-------------------------------Phase assemblage--------------------------------
Moles in assemblage
Phase SI log IAP log K(T, P) Initial Final Delta
Anhydrite -0.09 -4.62 -4.53 1.000e+00 0 -1.000e+00
Gypsum -0.00 -4.62 -4.62 1.000e+00 1.985e+00 9.852e-01
-----------------------------Solution composition------------------------------
Elements Molality Moles
Ca 1.531e-02 1.477e-02
S 1.531e-02 1.477e-02
----------------------------Description of solution----------------------------
pH = 6.783 Charge balance
pe = -1.095 Adjusted to redox equilibrium
Specific Conductance (uS/cm, 48 oC) = 3317
Density (g/cm3) = 0.99096
Volume (L) = 0.97628
Activity of water = 1.000
Ionic strength = 4.121e-02
Mass of water (kg) = 9.645e-01
Total alkalinity (eq/kg) = 2.289e-10
Total carbon (mol/kg) = 0.000e+00
Total CO2 (mol/kg) = 0.000e+00
Temperature (deg C) = 48.00
Electrical balance (eq) = -2.204e-10
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00
Iterations = 18
Total H = 1.070715e+02
Total O = 5.359483e+01
----------------------------Distribution of species----------------------------
Log Log Log mole V
Species Molality Activity Molality Activity Gamma cm3/mol
OH- 3.597e-07 2.941e-07 -6.444 -6.532 -0.087 -3.40
H+ 1.926e-07 1.650e-07 -6.715 -6.783 -0.067 0.00
H2O 5.551e+01 9.996e-01 1.744 -0.000 0.000 18.22
Ca 1.531e-02
Ca+2 1.030e-02 4.971e-03 -1.987 -2.304 -0.316 -16.66
CaSO4 5.010e-03 5.058e-03 -2.300 -2.296 0.004 8.15
CaHSO4+ 9.753e-09 8.052e-09 -8.011 -8.094 -0.083 (0)
CaOH+ 5.968e-09 4.999e-09 -8.224 -8.301 -0.077 (0)
H(0) 4.779e-15
H2 2.389e-15 2.412e-15 -14.622 -14.618 0.004 28.59
O(0) 0.000e+00
O2 0.000e+00 0.000e+00 -56.258 -56.254 0.004 31.83
S(-2) 1.619e-24
HS- 9.672e-25 7.908e-25 -24.014 -24.102 -0.087 21.33
H2S 6.519e-25 6.581e-25 -24.186 -24.182 0.004 37.23
S-2 5.262e-30 2.500e-30 -29.279 -29.602 -0.323 (0)
S(6) 1.531e-02
SO4-2 1.030e-02 4.875e-03 -1.987 -2.312 -0.325 15.09
CaSO4 5.010e-03 5.058e-03 -2.300 -2.296 0.004 8.15
HSO4- 1.631e-07 1.347e-07 -6.788 -6.871 -0.083 36.32
CaHSO4+ 9.753e-09 8.052e-09 -8.011 -8.094 -0.083 (0)
------------------------------Saturation indices-------------------------------
Phase SI log IAP log K(321 K, 1 atm)
Anhydrite -0.09 -4.62 -4.53 CaSO4
Gypsum -0.00 -4.62 -4.62 CaSO4:2H2O
H2(g) -11.48 -14.62 -3.14 H2
H2O(g) -0.96 -0.00 0.96 H2O
H2S(g) -22.93 -30.88 -7.95 H2S
O2(g) -53.23 -56.25 -3.02 O2
Sulfur -17.19 -12.81 4.38 S
Reaction step 25.
Using solution 1. Pure water
Using pure phase assemblage 1.
Using temperature 1.
-------------------------------Phase assemblage--------------------------------
Moles in assemblage
Phase SI log IAP log K(T, P) Initial Final Delta
Anhydrite -0.08 -4.62 -4.54 1.000e+00 0 -1.000e+00
Gypsum -0.00 -4.62 -4.62 1.000e+00 1.985e+00 9.853e-01
-----------------------------Solution composition------------------------------
Elements Molality Moles
Ca 1.529e-02 1.475e-02
S 1.529e-02 1.475e-02
----------------------------Description of solution----------------------------
pH = 6.772 Charge balance
pe = -1.088 Adjusted to redox equilibrium
Specific Conductance (uS/cm, 49 oC) = 3365
Density (g/cm3) = 0.99051
Volume (L) = 0.97672
Activity of water = 1.000
Ionic strength = 4.111e-02
Mass of water (kg) = 9.645e-01
Total alkalinity (eq/kg) = 2.289e-10
Total carbon (mol/kg) = 0.000e+00
Total CO2 (mol/kg) = 0.000e+00
Temperature (deg C) = 49.00
Electrical balance (eq) = -2.205e-10
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00
Iterations = 19
Total H = 1.070714e+02
Total O = 5.359470e+01
----------------------------Distribution of species----------------------------
Log Log Log mole V
Species Molality Activity Molality Activity Gamma cm3/mol
OH- 3.729e-07 3.049e-07 -6.428 -6.516 -0.088 -3.41
H+ 1.974e-07 1.691e-07 -6.705 -6.772 -0.067 0.00
H2O 5.551e+01 9.996e-01 1.744 -0.000 0.000 18.23
Ca 1.529e-02
Ca+2 1.028e-02 4.955e-03 -1.988 -2.305 -0.317 -16.66
CaSO4 5.012e-03 5.059e-03 -2.300 -2.296 0.004 8.17
CaHSO4+ 1.019e-08 8.411e-09 -7.992 -8.075 -0.083 (0)
CaOH+ 5.806e-09 4.862e-09 -8.236 -8.313 -0.077 (0)
H(0) 4.812e-15
H2 2.406e-15 2.429e-15 -14.619 -14.615 0.004 28.59
O(0) 0.000e+00
O2 0.000e+00 0.000e+00 -55.987 -55.983 0.004 31.88
S(-2) 1.318e-24
HS- 7.851e-25 6.418e-25 -24.105 -24.193 -0.088 21.33
H2S 5.325e-25 5.376e-25 -24.274 -24.270 0.004 37.23
S-2 4.423e-30 2.099e-30 -29.354 -29.678 -0.324 (0)
S(6) 1.529e-02
SO4-2 1.028e-02 4.860e-03 -1.988 -2.313 -0.325 15.11
CaSO4 5.012e-03 5.059e-03 -2.300 -2.296 0.004 8.17
HSO4- 1.709e-07 1.412e-07 -6.767 -6.850 -0.083 36.34
CaHSO4+ 1.019e-08 8.411e-09 -7.992 -8.075 -0.083 (0)
------------------------------Saturation indices-------------------------------
Phase SI log IAP log K(322 K, 1 atm)
Anhydrite -0.08 -4.62 -4.54 CaSO4
Gypsum -0.00 -4.62 -4.62 CaSO4:2H2O
H2(g) -11.48 -14.61 -3.14 H2
H2O(g) -0.94 -0.00 0.94 H2O
H2S(g) -23.02 -30.96 -7.95 H2S
O2(g) -52.96 -55.98 -3.03 O2
Sulfur -17.26 -12.90 4.36 S
Reaction step 26.
Using solution 1. Pure water
Using pure phase assemblage 1.
Using temperature 1.
-------------------------------Phase assemblage--------------------------------
Moles in assemblage
Phase SI log IAP log K(T, P) Initial Final Delta
Anhydrite -0.07 -4.62 -4.55 1.000e+00 0 -1.000e+00
Gypsum 0.00 -4.62 -4.62 1.000e+00 1.985e+00 9.853e-01
-----------------------------Solution composition------------------------------
Elements Molality Moles
Ca 1.526e-02 1.472e-02
S 1.526e-02 1.472e-02
----------------------------Description of solution----------------------------
pH = 6.761 Charge balance
pe = 9.532 Adjusted to redox equilibrium
Specific Conductance (uS/cm, 50 oC) = 3413
Density (g/cm3) = 0.99006
Volume (L) = 0.97716
Activity of water = 1.000
Ionic strength = 4.101e-02
Mass of water (kg) = 9.645e-01
Total alkalinity (eq/kg) = 2.289e-10
Total carbon (mol/kg) = 0.000e+00
Total CO2 (mol/kg) = 0.000e+00
Temperature (deg C) = 50.00
Electrical balance (eq) = -2.147e-10
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00
Iterations = 42
Total H = 1.070713e+02
Total O = 5.359455e+01
----------------------------Distribution of species----------------------------
Log Log Log mole V
Species Molality Activity Molality Activity Gamma cm3/mol
OH- 3.866e-07 3.160e-07 -6.413 -6.500 -0.088 -3.41
H+ 2.023e-07 1.732e-07 -6.694 -6.761 -0.067 0.00
H2O 5.551e+01 9.996e-01 1.744 -0.000 0.000 18.23
Ca 1.526e-02
Ca+2 1.025e-02 4.939e-03 -1.989 -2.306 -0.317 -16.66
CaSO4 5.012e-03 5.059e-03 -2.300 -2.296 0.004 8.19
CaHSO4+ 1.064e-08 8.783e-09 -7.973 -8.056 -0.083 (0)
CaOH+ 5.650e-09 4.731e-09 -8.248 -8.325 -0.077 (0)
H(0) 2.886e-36
H2 1.443e-36 1.457e-36 -35.841 -35.837 0.004 28.59
O(0) 1.081e-13
O2 5.403e-14 5.454e-14 -13.267 -13.263 0.004 31.92
S(-2) 0.000e+00
HS- 0.000e+00 0.000e+00 -109.095 -109.183 -0.088 21.34
H2S 0.000e+00 0.000e+00 -109.261 -109.257 0.004 37.24
S-2 0.000e+00 0.000e+00 -114.330 -114.654 -0.324 (0)
S(6) 1.526e-02
SO4-2 1.025e-02 4.845e-03 -1.989 -2.315 -0.326 15.13
CaSO4 5.012e-03 5.059e-03 -2.300 -2.296 0.004 8.19
HSO4- 1.791e-07 1.479e-07 -6.747 -6.830 -0.083 36.36
CaHSO4+ 1.064e-08 8.783e-09 -7.973 -8.056 -0.083 (0)
------------------------------Saturation indices-------------------------------
Phase SI log IAP log K(323 K, 1 atm)
Anhydrite -0.07 -4.62 -4.55 CaSO4
Gypsum 0.00 -4.62 -4.62 CaSO4:2H2O
H2(g) -32.70 -35.84 -3.14 H2
H2O(g) -0.92 -0.00 0.92 H2O
H2S(g) -108.00 -115.94 -7.95 H2S
O2(g) -10.23 -13.26 -3.03 O2
Sulfur -81.01 -76.67 4.34 S
Reaction step 27.
Using solution 1. Pure water
Using pure phase assemblage 1.
Using temperature 1.
-------------------------------Phase assemblage--------------------------------
Moles in assemblage
Phase SI log IAP log K(T, P) Initial Final Delta
Anhydrite -0.06 -4.62 -4.57 1.000e+00 0 -1.000e+00
Gypsum -0.00 -4.62 -4.62 1.000e+00 1.985e+00 9.853e-01
-----------------------------Solution composition------------------------------
Elements Molality Moles
Ca 1.524e-02 1.470e-02
S 1.524e-02 1.470e-02
----------------------------Description of solution----------------------------
pH = 6.751 Charge balance
pe = -1.071 Adjusted to redox equilibrium
Specific Conductance (uS/cm, 51 oC) = 3460
Density (g/cm3) = 0.98960
Volume (L) = 0.97761
Activity of water = 1.000
Ionic strength = 4.090e-02
Mass of water (kg) = 9.645e-01
Total alkalinity (eq/kg) = 2.289e-10
Total carbon (mol/kg) = 0.000e+00
Total CO2 (mol/kg) = 0.000e+00
Temperature (deg C) = 51.00
Electrical balance (eq) = -2.207e-10
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00
Iterations = 19
Total H = 1.070712e+02
Total O = 5.359439e+01
----------------------------Distribution of species----------------------------
Log Log Log mole V
Species Molality Activity Molality Activity Gamma cm3/mol
OH- 4.006e-07 3.274e-07 -6.397 -6.485 -0.088 -3.42
H+ 2.072e-07 1.774e-07 -6.684 -6.751 -0.067 0.00
H2O 5.551e+01 9.996e-01 1.744 -0.000 0.000 18.24
Ca 1.524e-02
Ca+2 1.023e-02 4.923e-03 -1.990 -2.308 -0.317 -16.66
CaSO4 5.010e-03 5.058e-03 -2.300 -2.296 0.004 8.21
CaHSO4+ 1.111e-08 9.168e-09 -7.954 -8.038 -0.084 (0)
CaOH+ 5.499e-09 4.604e-09 -8.260 -8.337 -0.077 (0)
H(0) 4.820e-15
H2 2.410e-15 2.433e-15 -14.618 -14.614 0.004 28.59
O(0) 0.000e+00
O2 0.000e+00 0.000e+00 -55.439 -55.435 0.004 31.97
S(-2) 8.329e-25
HS- 4.937e-25 4.034e-25 -24.307 -24.394 -0.088 21.34
H2S 3.392e-25 3.424e-25 -24.470 -24.465 0.004 37.24
S-2 2.982e-30 1.413e-30 -29.526 -29.850 -0.324 (0)
S(6) 1.524e-02
SO4-2 1.023e-02 4.829e-03 -1.990 -2.316 -0.326 15.14
CaSO4 5.010e-03 5.058e-03 -2.300 -2.296 0.004 8.21
HSO4- 1.876e-07 1.549e-07 -6.727 -6.810 -0.083 36.38
CaHSO4+ 1.111e-08 9.168e-09 -7.954 -8.038 -0.084 (0)
------------------------------Saturation indices-------------------------------
Phase SI log IAP log K(324 K, 1 atm)
Anhydrite -0.06 -4.62 -4.57 CaSO4
Gypsum -0.00 -4.62 -4.62 CaSO4:2H2O
H2(g) -11.48 -14.61 -3.14 H2
H2O(g) -0.89 -0.00 0.89 H2O
H2S(g) -23.20 -31.15 -7.95 H2S
O2(g) -52.40 -55.43 -3.03 O2
Sulfur -17.43 -13.10 4.32 S
Reaction step 28.
Using solution 1. Pure water
Using pure phase assemblage 1.
Using temperature 1.
-------------------------------Phase assemblage--------------------------------
Moles in assemblage
Phase SI log IAP log K(T, P) Initial Final Delta
Anhydrite -0.05 -4.63 -4.58 1.000e+00 0 -1.000e+00
Gypsum -0.00 -4.63 -4.63 1.000e+00 1.985e+00 9.853e-01
-----------------------------Solution composition------------------------------
Elements Molality Moles
Ca 1.521e-02 1.467e-02
S 1.521e-02 1.467e-02
----------------------------Description of solution----------------------------
pH = 6.741 Charge balance
pe = -1.063 Adjusted to redox equilibrium
Specific Conductance (uS/cm, 52 oC) = 3507
Density (g/cm3) = 0.98913
Volume (L) = 0.97806
Activity of water = 1.000
Ionic strength = 4.079e-02
Mass of water (kg) = 9.645e-01
Total alkalinity (eq/kg) = 2.289e-10
Total carbon (mol/kg) = 0.000e+00
Total CO2 (mol/kg) = 0.000e+00
Temperature (deg C) = 52.00
Electrical balance (eq) = -2.207e-10
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00
Iterations = 19
Total H = 1.070711e+02
Total O = 5.359422e+01
----------------------------Distribution of species----------------------------
Log Log Log mole V
Species Molality Activity Molality Activity Gamma cm3/mol
OH- 4.151e-07 3.391e-07 -6.382 -6.470 -0.088 -3.43
H+ 2.122e-07 1.816e-07 -6.673 -6.741 -0.068 0.00
H2O 5.551e+01 9.996e-01 1.744 -0.000 0.000 18.25
Ca 1.521e-02
Ca+2 1.020e-02 4.906e-03 -1.991 -2.309 -0.318 -16.66
CaSO4 5.008e-03 5.055e-03 -2.300 -2.296 0.004 8.23
CaHSO4+ 1.160e-08 9.565e-09 -7.936 -8.019 -0.084 (0)
CaOH+ 5.354e-09 4.481e-09 -8.271 -8.349 -0.077 (0)
H(0) 4.841e-15
H2 2.420e-15 2.443e-15 -14.616 -14.612 0.004 28.59
O(0) 0.000e+00
O2 0.000e+00 0.000e+00 -55.170 -55.166 0.004 32.02
S(-2) 6.730e-25
HS- 3.978e-25 3.250e-25 -24.400 -24.488 -0.088 21.34
H2S 2.752e-25 2.778e-25 -24.560 -24.556 0.004 37.24
S-2 2.487e-30 1.178e-30 -29.604 -29.929 -0.325 (0)
S(6) 1.521e-02
SO4-2 1.020e-02 4.812e-03 -1.991 -2.318 -0.326 15.15
CaSO4 5.008e-03 5.055e-03 -2.300 -2.296 0.004 8.23
HSO4- 1.964e-07 1.622e-07 -6.707 -6.790 -0.083 36.39
CaHSO4+ 1.160e-08 9.565e-09 -7.936 -8.019 -0.084 (0)
------------------------------Saturation indices-------------------------------
Phase SI log IAP log K(325 K, 1 atm)
Anhydrite -0.05 -4.63 -4.58 CaSO4
Gypsum -0.00 -4.63 -4.63 CaSO4:2H2O
H2(g) -11.47 -14.61 -3.14 H2
H2O(g) -0.87 -0.00 0.87 H2O
H2S(g) -23.28 -31.23 -7.94 H2S
O2(g) -52.13 -55.17 -3.04 O2
Sulfur -17.51 -13.20 4.30 S
Reaction step 29.
Using solution 1. Pure water
Using pure phase assemblage 1.
Using temperature 1.
-------------------------------Phase assemblage--------------------------------
Moles in assemblage
Phase SI log IAP log K(T, P) Initial Final Delta
Anhydrite -0.04 -4.63 -4.59 1.000e+00 0 -1.000e+00
Gypsum 0.00 -4.63 -4.63 1.000e+00 1.985e+00 9.854e-01
-----------------------------Solution composition------------------------------
Elements Molality Moles
Ca 1.517e-02 1.464e-02
S 1.517e-02 1.464e-02
----------------------------Description of solution----------------------------
pH = 6.731 Charge balance
pe = 9.353 Adjusted to redox equilibrium
Specific Conductance (uS/cm, 53 oC) = 3554
Density (g/cm3) = 0.98866
Volume (L) = 0.97853
Activity of water = 1.000
Ionic strength = 4.068e-02
Mass of water (kg) = 9.645e-01
Total alkalinity (eq/kg) = 2.289e-10
Total carbon (mol/kg) = 0.000e+00
Total CO2 (mol/kg) = 0.000e+00
Temperature (deg C) = 53.00
Electrical balance (eq) = -3.180e-10
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00
Iterations = 43
Total H = 1.070710e+02
Total O = 5.359403e+01
----------------------------Distribution of species----------------------------
Log Log Log mole V
Species Molality Activity Molality Activity Gamma cm3/mol
OH- 4.299e-07 3.512e-07 -6.367 -6.454 -0.088 -3.45
H+ 2.172e-07 1.859e-07 -6.663 -6.731 -0.068 0.00
H2O 5.551e+01 9.996e-01 1.744 -0.000 0.000 18.26
Ca 1.517e-02
Ca+2 1.017e-02 4.889e-03 -1.993 -2.311 -0.318 -16.66
CaSO4 5.005e-03 5.052e-03 -2.301 -2.297 0.004 8.25
CaHSO4+ 1.210e-08 9.976e-09 -7.917 -8.001 -0.084 (0)
CaOH+ 5.213e-09 4.363e-09 -8.283 -8.360 -0.077 (0)
H(0) 7.391e-36
H2 3.695e-36 3.730e-36 -35.432 -35.428 0.004 28.59
O(0) 1.081e-13
O2 5.403e-14 5.454e-14 -13.267 -13.263 0.004 32.07
S(-2) 0.000e+00
HS- 0.000e+00 0.000e+00 -107.766 -107.854 -0.088 21.34
H2S 0.000e+00 0.000e+00 -107.923 -107.919 0.004 37.24
S-2 0.000e+00 0.000e+00 -112.955 -113.280 -0.325 (0)
S(6) 1.517e-02
SO4-2 1.017e-02 4.796e-03 -1.993 -2.319 -0.326 15.16
CaSO4 5.005e-03 5.052e-03 -2.301 -2.297 0.004 8.25
HSO4- 2.056e-07 1.697e-07 -6.687 -6.770 -0.083 36.41
CaHSO4+ 1.210e-08 9.976e-09 -7.917 -8.001 -0.084 (0)
------------------------------Saturation indices-------------------------------
Phase SI log IAP log K(326 K, 1 atm)
Anhydrite -0.04 -4.63 -4.59 CaSO4
Gypsum 0.00 -4.63 -4.63 CaSO4:2H2O
H2(g) -32.29 -35.43 -3.14 H2
H2O(g) -0.85 -0.00 0.85 H2O
H2S(g) -106.64 -114.58 -7.94 H2S
O2(g) -10.22 -13.26 -3.04 O2
Sulfur -80.04 -75.75 4.28 S
Reaction step 30.
Using solution 1. Pure water
Using pure phase assemblage 1.
Using temperature 1.
-------------------------------Phase assemblage--------------------------------
Moles in assemblage
Phase SI log IAP log K(T, P) Initial Final Delta
Anhydrite -0.03 -4.63 -4.61 1.000e+00 0 -1.000e+00
Gypsum -0.00 -4.63 -4.63 1.000e+00 1.985e+00 9.854e-01
-----------------------------Solution composition------------------------------
Elements Molality Moles
Ca 1.514e-02 1.460e-02
S 1.514e-02 1.460e-02
----------------------------Description of solution----------------------------
pH = 6.721 Charge balance
pe = 9.294 Adjusted to redox equilibrium
Specific Conductance (uS/cm, 54 oC) = 3600
Density (g/cm3) = 0.98818
Volume (L) = 0.97899
Activity of water = 1.000
Ionic strength = 4.056e-02
Mass of water (kg) = 9.645e-01
Total alkalinity (eq/kg) = 2.289e-10
Total carbon (mol/kg) = 0.000e+00
Total CO2 (mol/kg) = 0.000e+00
Temperature (deg C) = 54.00
Electrical balance (eq) = -2.274e-10
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00
Iterations = 45
Total H = 1.070708e+02
Total O = 5.359383e+01
----------------------------Distribution of species----------------------------
Log Log Log mole V
Species Molality Activity Molality Activity Gamma cm3/mol
OH- 4.452e-07 3.636e-07 -6.351 -6.439 -0.088 -3.46
H+ 2.222e-07 1.902e-07 -6.653 -6.721 -0.068 0.00
H2O 5.551e+01 9.996e-01 1.744 -0.000 0.000 18.27
Ca 1.514e-02
Ca+2 1.014e-02 4.871e-03 -1.994 -2.312 -0.318 -16.67
CaSO4 5.000e-03 5.047e-03 -2.301 -2.297 0.004 8.27
CaHSO4+ 1.261e-08 1.040e-08 -7.899 -7.983 -0.084 (0)
CaOH+ 5.078e-09 4.249e-09 -8.294 -8.372 -0.077 (0)
H(0) 1.007e-35
H2 5.036e-36 5.084e-36 -35.298 -35.294 0.004 28.59
O(0) 1.080e-13
O2 5.402e-14 5.453e-14 -13.267 -13.263 0.004 32.11
S(-2) 0.000e+00
HS- 0.000e+00 0.000e+00 -107.329 -107.416 -0.088 21.34
H2S 0.000e+00 0.000e+00 -107.483 -107.479 0.004 37.24
S-2 0.000e+00 0.000e+00 -112.502 -112.827 -0.325 (0)
S(6) 1.514e-02
SO4-2 1.014e-02 4.779e-03 -1.994 -2.321 -0.327 15.16
CaSO4 5.000e-03 5.047e-03 -2.301 -2.297 0.004 8.27
HSO4- 2.152e-07 1.776e-07 -6.667 -6.751 -0.083 36.43
CaHSO4+ 1.261e-08 1.040e-08 -7.899 -7.983 -0.084 (0)
------------------------------Saturation indices-------------------------------
Phase SI log IAP log K(327 K, 1 atm)
Anhydrite -0.03 -4.63 -4.61 CaSO4
Gypsum -0.00 -4.63 -4.63 CaSO4:2H2O
H2(g) -32.16 -35.29 -3.14 H2
H2O(g) -0.83 -0.00 0.83 H2O
H2S(g) -106.19 -114.14 -7.94 H2S
O2(g) -10.22 -13.26 -3.05 O2
Sulfur -79.71 -75.45 4.26 S
Reaction step 31.
Using solution 1. Pure water
Using pure phase assemblage 1.
Using temperature 1.
-------------------------------Phase assemblage--------------------------------
Moles in assemblage
Phase SI log IAP log K(T, P) Initial Final Delta
Anhydrite -0.02 -4.64 -4.62 1.000e+00 0 -1.000e+00
Gypsum -0.00 -4.64 -4.64 1.000e+00 1.985e+00 9.854e-01
-----------------------------Solution composition------------------------------
Elements Molality Moles
Ca 1.510e-02 1.457e-02
S 1.510e-02 1.457e-02
----------------------------Description of solution----------------------------
pH = 6.711 Charge balance
pe = -2.472 Adjusted to redox equilibrium
Specific Conductance (uS/cm, 55 oC) = 3646
Density (g/cm3) = 0.98769
Volume (L) = 0.97947
Activity of water = 1.000
Ionic strength = 4.043e-02
Mass of water (kg) = 9.645e-01
Total alkalinity (eq/kg) = 2.284e-10
Total carbon (mol/kg) = 0.000e+00
Total CO2 (mol/kg) = 0.000e+00
Temperature (deg C) = 55.00
Electrical balance (eq) = -2.210e-10
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00
Iterations = 31
Total H = 1.070707e+02
Total O = 5.359361e+01
----------------------------Distribution of species----------------------------
Log Log Log mole V
Species Molality Activity Molality Activity Gamma cm3/mol
OH- 4.609e-07 3.764e-07 -6.336 -6.424 -0.088 -3.48
H+ 2.273e-07 1.945e-07 -6.643 -6.711 -0.068 0.00
H2O 5.551e+01 9.996e-01 1.744 -0.000 0.000 18.28
Ca 1.510e-02
Ca+2 1.011e-02 4.853e-03 -1.995 -2.314 -0.319 -16.67
CaSO4 4.994e-03 5.041e-03 -2.302 -2.297 0.004 8.29
CaHSO4+ 1.315e-08 1.084e-08 -7.881 -7.965 -0.084 (0)
CaOH+ 4.947e-09 4.139e-09 -8.306 -8.383 -0.077 (0)
H(0) 3.563e-12
H2 1.782e-12 1.798e-12 -11.749 -11.745 0.004 28.58
O(0) 0.000e+00
O2 0.000e+00 0.000e+00 -60.097 -60.093 0.004 32.16
S(-2) 9.959e-14
HS- 5.837e-14 4.766e-14 -13.234 -13.322 -0.088 21.34
H2S 4.122e-14 4.161e-14 -13.385 -13.381 0.004 37.25
S-2 4.050e-19 1.915e-19 -18.393 -18.718 -0.325 (0)
S(6) 1.510e-02
SO4-2 1.011e-02 4.761e-03 -1.995 -2.322 -0.327 15.16
CaSO4 4.994e-03 5.041e-03 -2.302 -2.297 0.004 8.29
HSO4- 2.251e-07 1.858e-07 -6.648 -6.731 -0.083 36.44
CaHSO4+ 1.315e-08 1.084e-08 -7.881 -7.965 -0.084 (0)
------------------------------Saturation indices-------------------------------
Phase SI log IAP log K(328 K, 1 atm)
Anhydrite -0.02 -4.64 -4.62 CaSO4
Gypsum -0.00 -4.64 -4.64 CaSO4:2H2O
H2(g) -8.61 -11.75 -3.14 H2
H2O(g) -0.81 -0.00 0.81 H2O
H2S(g) -12.09 -20.03 -7.94 H2S
O2(g) -57.04 -60.09 -3.05 O2
Sulfur -9.15 -4.90 4.25 S
Reaction step 32.
Using solution 1. Pure water
Using pure phase assemblage 1.
Using temperature 1.
-------------------------------Phase assemblage--------------------------------
Moles in assemblage
Phase SI log IAP log K(T, P) Initial Final Delta
Anhydrite -0.01 -4.64 -4.63 1.000e+00 0 -1.000e+00
Gypsum -0.00 -4.64 -4.64 1.000e+00 1.985e+00 9.855e-01
-----------------------------Solution composition------------------------------
Elements Molality Moles
Ca 1.506e-02 1.453e-02
S 1.506e-02 1.453e-02
----------------------------Description of solution----------------------------
pH = 6.701 Charge balance
pe = -1.031 Adjusted to redox equilibrium
Specific Conductance (uS/cm, 56 oC) = 3691
Density (g/cm3) = 0.98719
Volume (L) = 0.97995
Activity of water = 1.000
Ionic strength = 4.030e-02
Mass of water (kg) = 9.645e-01
Total alkalinity (eq/kg) = 2.289e-10
Total carbon (mol/kg) = 0.000e+00
Total CO2 (mol/kg) = 0.000e+00
Temperature (deg C) = 56.00
Electrical balance (eq) = -2.208e-10
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00
Iterations = 20
Total H = 1.070705e+02
Total O = 5.359339e+01
----------------------------Distribution of species----------------------------
Log Log Log mole V
Species Molality Activity Molality Activity Gamma cm3/mol
OH- 4.770e-07 3.895e-07 -6.322 -6.410 -0.088 -3.49
H+ 2.325e-07 1.989e-07 -6.634 -6.701 -0.068 0.00
H2O 5.551e+01 9.996e-01 1.744 -0.000 0.000 18.29
Ca 1.506e-02
Ca+2 1.008e-02 4.834e-03 -1.997 -2.316 -0.319 -16.68
CaSO4 4.987e-03 5.034e-03 -2.302 -2.298 0.004 8.31
CaHSO4+ 1.370e-08 1.129e-08 -7.863 -7.947 -0.084 (0)
CaOH+ 4.821e-09 4.033e-09 -8.317 -8.394 -0.078 (0)
H(0) 4.840e-15
H2 2.420e-15 2.443e-15 -14.616 -14.612 0.004 28.58
O(0) 0.000e+00
O2 0.000e+00 0.000e+00 -54.098 -54.094 0.004 32.20
S(-2) 2.705e-25
HS- 1.581e-25 1.291e-25 -24.801 -24.889 -0.088 21.34
H2S 1.124e-25 1.135e-25 -24.949 -24.945 0.004 37.25
S-2 1.135e-30 5.365e-31 -29.945 -30.270 -0.326 (0)
S(6) 1.506e-02
SO4-2 1.008e-02 4.743e-03 -1.997 -2.324 -0.327 15.16
CaSO4 4.987e-03 5.034e-03 -2.302 -2.298 0.004 8.31
HSO4- 2.354e-07 1.942e-07 -6.628 -6.712 -0.083 36.45
CaHSO4+ 1.370e-08 1.129e-08 -7.863 -7.947 -0.084 (0)
------------------------------Saturation indices-------------------------------
Phase SI log IAP log K(329 K, 1 atm)
Anhydrite -0.01 -4.64 -4.63 CaSO4
Gypsum -0.00 -4.64 -4.64 CaSO4:2H2O
H2(g) -11.47 -14.61 -3.14 H2
H2O(g) -0.79 -0.00 0.79 H2O
H2S(g) -23.65 -31.59 -7.94 H2S
O2(g) -51.04 -54.09 -3.05 O2
Sulfur -17.83 -13.60 4.23 S
Reaction step 33.
Using solution 1. Pure water
Using pure phase assemblage 1.
Using temperature 1.
-------------------------------Phase assemblage--------------------------------
Moles in assemblage
Phase SI log IAP log K(T, P) Initial Final Delta
Anhydrite -0.00 -4.65 -4.65 1.000e+00 1.985e+00 9.845e-01
Gypsum -0.00 -4.65 -4.64 1.000e+00 0 -1.000e+00
-----------------------------Solution composition------------------------------
Elements Molality Moles
Ca 1.491e-02 1.545e-02
S 1.491e-02 1.545e-02
----------------------------Description of solution----------------------------
pH = 6.691 Charge balance
pe = -1.079 Adjusted to redox equilibrium
Specific Conductance (uS/cm, 57 oC) = 3715
Density (g/cm3) = 0.98668
Volume (L) = 1.05315
Activity of water = 1.000
Ionic strength = 3.992e-02
Mass of water (kg) = 1.036e+00
Total alkalinity (eq/kg) = 2.131e-10
Total carbon (mol/kg) = 0.000e+00
Total CO2 (mol/kg) = 0.000e+00
Temperature (deg C) = 57.00
Electrical balance (eq) = -2.208e-10
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00
Iterations = 19
Total H = 1.150124e+02
Total O = 5.756802e+01
----------------------------Distribution of species----------------------------
Log Log Log mole V
Species Molality Activity Molality Activity Gamma cm3/mol
OH- 4.927e-07 4.025e-07 -6.307 -6.395 -0.088 -3.51
H+ 2.378e-07 2.035e-07 -6.624 -6.691 -0.068 0.00
H2O 5.551e+01 9.996e-01 1.744 -0.000 0.000 18.30
Ca 1.491e-02
Ca+2 9.979e-03 4.793e-03 -2.001 -2.319 -0.318 -16.69
CaSO4 4.934e-03 4.980e-03 -2.307 -2.303 0.004 8.32
CaHSO4+ 1.414e-08 1.166e-08 -7.849 -7.933 -0.084 (0)
CaOH+ 4.669e-09 3.907e-09 -8.331 -8.408 -0.077 (0)
H(0) 6.281e-15
H2 3.140e-15 3.169e-15 -14.503 -14.499 0.004 28.58
O(0) 0.000e+00
O2 0.000e+00 0.000e+00 -54.060 -54.056 0.004 32.25
S(-2) 6.104e-25
HS- 3.554e-25 2.903e-25 -24.449 -24.537 -0.088 21.33
H2S 2.551e-25 2.574e-25 -24.593 -24.589 0.004 37.25
S-2 2.636e-30 1.247e-30 -29.579 -29.904 -0.325 (0)
S(6) 1.491e-02
SO4-2 9.979e-03 4.704e-03 -2.001 -2.328 -0.327 15.16
CaSO4 4.934e-03 4.980e-03 -2.307 -2.303 0.004 8.32
HSO4- 2.452e-07 2.024e-07 -6.611 -6.694 -0.083 36.46
CaHSO4+ 1.414e-08 1.166e-08 -7.849 -7.933 -0.084 (0)
------------------------------Saturation indices-------------------------------
Phase SI log IAP log K(330 K, 1 atm)
Anhydrite -0.00 -4.65 -4.65 CaSO4
Gypsum -0.00 -4.65 -4.64 CaSO4:2H2O
H2(g) -11.36 -14.50 -3.14 H2
H2O(g) -0.77 -0.00 0.77 H2O
H2S(g) -23.29 -31.23 -7.94 H2S
O2(g) -51.00 -54.06 -3.06 O2
Sulfur -17.57 -13.37 4.21 S
Reaction step 34.
Using solution 1. Pure water
Using pure phase assemblage 1.
Using temperature 1.
-------------------------------Phase assemblage--------------------------------
Moles in assemblage
Phase SI log IAP log K(T, P) Initial Final Delta
Anhydrite 0.00 -4.66 -4.66 1.000e+00 1.985e+00 9.849e-01
Gypsum -0.01 -4.66 -4.65 1.000e+00 0 -1.000e+00
-----------------------------Solution composition------------------------------
Elements Molality Moles
Ca 1.460e-02 1.512e-02
S 1.460e-02 1.512e-02
----------------------------Description of solution----------------------------
pH = 6.681 Charge balance
pe = -1.001 Adjusted to redox equilibrium
Specific Conductance (uS/cm, 58 oC) = 3706
Density (g/cm3) = 0.98614
Volume (L) = 1.05366
Activity of water = 1.000
Ionic strength = 3.915e-02
Mass of water (kg) = 1.036e+00
Total alkalinity (eq/kg) = 2.131e-10
Total carbon (mol/kg) = 0.000e+00
Total CO2 (mol/kg) = 0.000e+00
Temperature (deg C) = 58.00
Electrical balance (eq) = -2.208e-10
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00
Iterations = 19
Total H = 1.150124e+02
Total O = 5.756672e+01
----------------------------Distribution of species----------------------------
Log Log Log mole V
Species Molality Activity Molality Activity Gamma cm3/mol
OH- 5.075e-07 4.151e-07 -6.295 -6.382 -0.087 -3.54
H+ 2.436e-07 2.086e-07 -6.613 -6.681 -0.067 0.00
H2O 5.551e+01 9.996e-01 1.744 -0.000 0.000 18.31
Ca 1.460e-02
Ca+2 9.786e-03 4.718e-03 -2.009 -2.326 -0.317 -16.70
CaSO4 4.812e-03 4.856e-03 -2.318 -2.314 0.004 8.34
CaHSO4+ 1.441e-08 1.189e-08 -7.841 -7.925 -0.083 (0)
CaOH+ 4.481e-09 3.753e-09 -8.349 -8.426 -0.077 (0)
H(0) 4.557e-15
H2 2.278e-15 2.299e-15 -14.642 -14.638 0.004 28.58
O(0) 0.000e+00
O2 0.000e+00 0.000e+00 -53.519 -53.515 0.004 32.29
S(-2) 1.341e-25
HS- 7.768e-26 6.353e-26 -25.110 -25.197 -0.087 21.33
H2S 5.642e-26 5.693e-26 -25.249 -25.245 0.004 37.25
S-2 5.928e-31 2.816e-31 -30.227 -30.550 -0.323 (0)
S(6) 1.460e-02
SO4-2 9.786e-03 4.631e-03 -2.009 -2.334 -0.325 15.15
CaSO4 4.812e-03 4.856e-03 -2.318 -2.314 0.004 8.34
HSO4- 2.538e-07 2.097e-07 -6.596 -6.678 -0.083 36.47
CaHSO4+ 1.441e-08 1.189e-08 -7.841 -7.925 -0.083 (0)
------------------------------Saturation indices-------------------------------
Phase SI log IAP log K(331 K, 1 atm)
Anhydrite 0.00 -4.66 -4.66 CaSO4
Gypsum -0.01 -4.66 -4.65 CaSO4:2H2O
H2(g) -11.50 -14.64 -3.14 H2
H2O(g) -0.75 -0.00 0.75 H2O
H2S(g) -23.94 -31.88 -7.94 H2S
O2(g) -50.46 -53.51 -3.06 O2
Sulfur -18.07 -13.88 4.19 S
Reaction step 35.
Using solution 1. Pure water
Using pure phase assemblage 1.
Using temperature 1.
-------------------------------Phase assemblage--------------------------------
Moles in assemblage
Phase SI log IAP log K(T, P) Initial Final Delta
Anhydrite 0.00 -4.67 -4.67 1.000e+00 1.985e+00 9.852e-01
Gypsum -0.02 -4.67 -4.65 1.000e+00 0 -1.000e+00
-----------------------------Solution composition------------------------------
Elements Molality Moles
Ca 1.429e-02 1.480e-02
S 1.429e-02 1.480e-02
----------------------------Description of solution----------------------------
pH = 6.670 Charge balance
pe = -0.992 Adjusted to redox equilibrium
Specific Conductance (uS/cm, 59 oC) = 3696
Density (g/cm3) = 0.98559
Volume (L) = 1.05418
Activity of water = 1.000
Ionic strength = 3.839e-02
Mass of water (kg) = 1.036e+00
Total alkalinity (eq/kg) = 2.131e-10
Total carbon (mol/kg) = 0.000e+00
Total CO2 (mol/kg) = 0.000e+00
Temperature (deg C) = 59.00
Electrical balance (eq) = -2.208e-10
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00
Iterations = 19
Total H = 1.150124e+02
Total O = 5.756543e+01
----------------------------Distribution of species----------------------------
Log Log Log mole V
Species Molality Activity Molality Activity Gamma cm3/mol
OH- 5.226e-07 4.279e-07 -6.282 -6.369 -0.087 -3.56
H+ 2.494e-07 2.137e-07 -6.603 -6.670 -0.067 0.00
H2O 5.551e+01 9.996e-01 1.744 -0.000 0.000 18.31
Ca 1.429e-02
Ca+2 9.597e-03 4.644e-03 -2.018 -2.333 -0.315 -16.71
CaSO4 4.693e-03 4.734e-03 -2.329 -2.325 0.004 8.36
CaHSO4+ 1.468e-08 1.213e-08 -7.833 -7.916 -0.083 (0)
CaOH+ 4.301e-09 3.605e-09 -8.366 -8.443 -0.077 (0)
H(0) 4.568e-15
H2 2.284e-15 2.304e-15 -14.641 -14.638 0.004 28.58
O(0) 0.000e+00
O2 0.000e+00 0.000e+00 -53.260 -53.256 0.004 32.34
S(-2) 1.074e-25
HS- 6.192e-26 5.070e-26 -25.208 -25.295 -0.087 21.32
H2S 4.551e-26 4.592e-26 -25.342 -25.338 0.004 37.25
S-2 4.861e-31 2.318e-31 -30.313 -30.635 -0.322 (0)
S(6) 1.429e-02
SO4-2 9.597e-03 4.560e-03 -2.018 -2.341 -0.323 15.14
CaSO4 4.693e-03 4.734e-03 -2.329 -2.325 0.004 8.36
HSO4- 2.626e-07 2.172e-07 -6.581 -6.663 -0.082 36.48
CaHSO4+ 1.468e-08 1.213e-08 -7.833 -7.916 -0.083 (0)
------------------------------Saturation indices-------------------------------
Phase SI log IAP log K(332 K, 1 atm)
Anhydrite 0.00 -4.67 -4.67 CaSO4
Gypsum -0.02 -4.67 -4.65 CaSO4:2H2O
H2(g) -11.50 -14.64 -3.14 H2
H2O(g) -0.73 -0.00 0.73 H2O
H2S(g) -24.03 -31.97 -7.94 H2S
O2(g) -50.19 -53.26 -3.06 O2
Sulfur -18.15 -13.98 4.17 S
Reaction step 36.
Using solution 1. Pure water
Using pure phase assemblage 1.
Using temperature 1.
-------------------------------Phase assemblage--------------------------------
Moles in assemblage
Phase SI log IAP log K(T, P) Initial Final Delta
Anhydrite 0.00 -4.69 -4.69 1.000e+00 1.986e+00 9.855e-01
Gypsum -0.03 -4.69 -4.65 1.000e+00 0 -1.000e+00
-----------------------------Solution composition------------------------------
Elements Molality Moles
Ca 1.399e-02 1.449e-02
S 1.399e-02 1.449e-02
----------------------------Description of solution----------------------------
pH = 6.660 Charge balance
pe = -0.983 Adjusted to redox equilibrium
Specific Conductance (uS/cm, 60 oC) = 3686
Density (g/cm3) = 0.98504
Volume (L) = 1.05471
Activity of water = 1.000
Ionic strength = 3.764e-02
Mass of water (kg) = 1.036e+00
Total alkalinity (eq/kg) = 2.131e-10
Total carbon (mol/kg) = 0.000e+00
Total CO2 (mol/kg) = 0.000e+00
Temperature (deg C) = 60.00
Electrical balance (eq) = -2.208e-10
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00
Iterations = 19
Total H = 1.150124e+02
Total O = 5.756418e+01
----------------------------Distribution of species----------------------------
Log Log Log mole V
Species Molality Activity Molality Activity Gamma cm3/mol
OH- 5.381e-07 4.411e-07 -6.269 -6.355 -0.086 -3.59
H+ 2.553e-07 2.189e-07 -6.593 -6.660 -0.067 0.00
H2O 5.551e+01 9.996e-01 1.744 -0.000 0.000 18.32
Ca 1.399e-02
Ca+2 9.411e-03 4.570e-03 -2.026 -2.340 -0.314 -16.72
CaSO4 4.576e-03 4.615e-03 -2.340 -2.336 0.004 8.37
CaHSO4+ 1.495e-08 1.236e-08 -7.825 -7.908 -0.083 (0)
CaOH+ 4.129e-09 3.464e-09 -8.384 -8.460 -0.076 (0)
H(0) 4.562e-15
H2 2.281e-15 2.301e-15 -14.642 -14.638 0.004 28.58
O(0) 0.000e+00
O2 0.000e+00 0.000e+00 -52.999 -52.995 0.004 32.38
S(-2) 8.498e-26
HS- 4.873e-26 3.995e-26 -25.312 -25.399 -0.086 21.31
H2S 3.625e-26 3.657e-26 -25.441 -25.437 0.004 37.26
S-2 3.935e-31 1.884e-31 -30.405 -30.725 -0.320 (0)
S(6) 1.399e-02
SO4-2 9.410e-03 4.490e-03 -2.026 -2.348 -0.321 15.12
CaSO4 4.576e-03 4.615e-03 -2.340 -2.336 0.004 8.37
HSO4- 2.717e-07 2.250e-07 -6.566 -6.648 -0.082 36.48
CaHSO4+ 1.495e-08 1.236e-08 -7.825 -7.908 -0.083 (0)
------------------------------Saturation indices-------------------------------
Phase SI log IAP log K(333 K, 1 atm)
Anhydrite 0.00 -4.69 -4.69 CaSO4
Gypsum -0.03 -4.69 -4.65 CaSO4:2H2O
H2(g) -11.50 -14.64 -3.14 H2
H2O(g) -0.71 -0.00 0.71 H2O
H2S(g) -24.12 -32.06 -7.94 H2S
O2(g) -49.93 -53.00 -3.06 O2
Sulfur -18.23 -14.08 4.15 S
Reaction step 37.
Using solution 1. Pure water
Using pure phase assemblage 1.
Using temperature 1.
-------------------------------Phase assemblage--------------------------------
Moles in assemblage
Phase SI log IAP log K(T, P) Initial Final Delta
Anhydrite -0.00 -4.70 -4.70 1.000e+00 1.986e+00 9.858e-01
Gypsum -0.04 -4.70 -4.66 1.000e+00 0 -1.000e+00
-----------------------------Solution composition------------------------------
Elements Molality Moles
Ca 1.369e-02 1.418e-02
S 1.369e-02 1.418e-02
----------------------------Description of solution----------------------------
pH = 6.649 Charge balance
pe = -0.873 Adjusted to redox equilibrium
Specific Conductance (uS/cm, 61 oC) = 3675
Density (g/cm3) = 0.98448
Volume (L) = 1.05525
Activity of water = 1.000
Ionic strength = 3.691e-02
Mass of water (kg) = 1.036e+00
Total alkalinity (eq/kg) = 2.131e-10
Total carbon (mol/kg) = 0.000e+00
Total CO2 (mol/kg) = 0.000e+00
Temperature (deg C) = 61.00
Electrical balance (eq) = -2.208e-10
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00
Iterations = 19
Total H = 1.150124e+02
Total O = 5.756294e+01
----------------------------Distribution of species----------------------------
Log Log Log mole V
Species Molality Activity Molality Activity Gamma cm3/mol
OH- 5.538e-07 4.545e-07 -6.257 -6.342 -0.086 -3.62
H+ 2.613e-07 2.241e-07 -6.583 -6.649 -0.067 0.00
H2O 5.551e+01 9.996e-01 1.744 -0.000 0.000 18.33
Ca 1.369e-02
Ca+2 9.228e-03 4.498e-03 -2.035 -2.347 -0.312 -16.74
CaSO4 4.461e-03 4.499e-03 -2.351 -2.347 0.004 8.39
CaHSO4+ 1.522e-08 1.260e-08 -7.818 -7.900 -0.082 (0)
CaOH+ 3.965e-09 3.329e-09 -8.402 -8.478 -0.076 (0)
H(0) 2.851e-15
H2 1.425e-15 1.438e-15 -14.846 -14.842 0.004 28.58
O(0) 0.000e+00
O2 0.000e+00 0.000e+00 -52.333 -52.329 0.004 32.42
S(-2) 1.031e-26
HS- 5.881e-27 4.826e-27 -26.231 -26.316 -0.086 21.30
H2S 4.428e-27 4.466e-27 -26.354 -26.350 0.004 37.26
S-2 4.884e-32 2.348e-32 -31.311 -31.629 -0.318 (0)
S(6) 1.369e-02
SO4-2 9.227e-03 4.420e-03 -2.035 -2.355 -0.320 15.10
CaSO4 4.461e-03 4.499e-03 -2.351 -2.347 0.004 8.39
HSO4- 2.811e-07 2.330e-07 -6.551 -6.633 -0.082 36.49
CaHSO4+ 1.522e-08 1.260e-08 -7.818 -7.900 -0.082 (0)
------------------------------Saturation indices-------------------------------
Phase SI log IAP log K(334 K, 1 atm)
Anhydrite -0.00 -4.70 -4.70 CaSO4
Gypsum -0.04 -4.70 -4.66 CaSO4:2H2O
H2(g) -11.70 -14.84 -3.14 H2
H2O(g) -0.69 -0.00 0.69 H2O
H2S(g) -25.03 -32.97 -7.94 H2S
O2(g) -49.26 -52.33 -3.07 O2
Sulfur -18.93 -14.80 4.13 S
Reaction step 38.
Using solution 1. Pure water
Using pure phase assemblage 1.
Using temperature 1.
-------------------------------Phase assemblage--------------------------------
Moles in assemblage
Phase SI log IAP log K(T, P) Initial Final Delta
Anhydrite -0.00 -4.72 -4.72 1.000e+00 1.986e+00 9.861e-01
Gypsum -0.05 -4.72 -4.66 1.000e+00 0 -1.000e+00
-----------------------------Solution composition------------------------------
Elements Molality Moles
Ca 1.340e-02 1.388e-02
S 1.340e-02 1.388e-02
----------------------------Description of solution----------------------------
pH = 6.639 Charge balance
pe = -0.865 Adjusted to redox equilibrium
Specific Conductance (uS/cm, 62 oC) = 3663
Density (g/cm3) = 0.98392
Volume (L) = 1.05579
Activity of water = 1.000
Ionic strength = 3.619e-02
Mass of water (kg) = 1.036e+00
Total alkalinity (eq/kg) = 2.131e-10
Total carbon (mol/kg) = 0.000e+00
Total CO2 (mol/kg) = 0.000e+00
Temperature (deg C) = 62.00
Electrical balance (eq) = -2.208e-10
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00
Iterations = 19
Total H = 1.150124e+02
Total O = 5.756173e+01
----------------------------Distribution of species----------------------------
Log Log Log mole V
Species Molality Activity Molality Activity Gamma cm3/mol
OH- 5.699e-07 4.682e-07 -6.244 -6.330 -0.085 -3.65
H+ 2.673e-07 2.295e-07 -6.573 -6.639 -0.066 0.00
H2O 5.551e+01 9.996e-01 1.744 -0.000 0.000 18.34
Ca 1.340e-02
Ca+2 9.048e-03 4.427e-03 -2.043 -2.354 -0.310 -16.75
CaSO4 4.348e-03 4.385e-03 -2.362 -2.358 0.004 8.41
CaHSO4+ 1.549e-08 1.284e-08 -7.810 -7.892 -0.082 (0)
CaOH+ 3.808e-09 3.201e-09 -8.419 -8.495 -0.075 (0)
H(0) 2.856e-15
H2 1.428e-15 1.440e-15 -14.845 -14.842 0.004 28.58
O(0) 0.000e+00
O2 0.000e+00 0.000e+00 -52.078 -52.074 0.004 32.47
S(-2) 8.266e-27
HS- 4.690e-27 3.854e-27 -26.329 -26.414 -0.085 21.28
H2S 3.576e-27 3.606e-27 -26.447 -26.443 0.004 37.26
S-2 4.007e-32 1.934e-32 -31.397 -31.714 -0.316 (0)
S(6) 1.340e-02
SO4-2 9.047e-03 4.352e-03 -2.043 -2.361 -0.318 15.08
CaSO4 4.348e-03 4.385e-03 -2.362 -2.358 0.004 8.41
HSO4- 2.907e-07 2.412e-07 -6.537 -6.618 -0.081 36.49
CaHSO4+ 1.549e-08 1.284e-08 -7.810 -7.892 -0.082 (0)
------------------------------Saturation indices-------------------------------
Phase SI log IAP log K(335 K, 1 atm)
Anhydrite -0.00 -4.72 -4.72 CaSO4
Gypsum -0.05 -4.72 -4.66 CaSO4:2H2O
H2(g) -11.70 -14.84 -3.14 H2
H2O(g) -0.67 -0.00 0.67 H2O
H2S(g) -25.12 -33.05 -7.94 H2S
O2(g) -49.00 -52.07 -3.07 O2
Sulfur -19.01 -14.89 4.11 S
Reaction step 39.
Using solution 1. Pure water
Using pure phase assemblage 1.
Using temperature 1.
-------------------------------Phase assemblage--------------------------------
Moles in assemblage
Phase SI log IAP log K(T, P) Initial Final Delta
Anhydrite 0.00 -4.73 -4.73 1.000e+00 1.986e+00 9.864e-01
Gypsum -0.06 -4.73 -4.67 1.000e+00 0 -1.000e+00
-----------------------------Solution composition------------------------------
Elements Molality Moles
Ca 1.311e-02 1.358e-02
S 1.311e-02 1.358e-02
----------------------------Description of solution----------------------------
pH = 6.629 Charge balance
pe = -0.958 Adjusted to redox equilibrium
Specific Conductance (uS/cm, 63 oC) = 3651
Density (g/cm3) = 0.98335
Volume (L) = 1.05634
Activity of water = 1.000
Ionic strength = 3.548e-02
Mass of water (kg) = 1.036e+00
Total alkalinity (eq/kg) = 2.131e-10
Total carbon (mol/kg) = 0.000e+00
Total CO2 (mol/kg) = 0.000e+00
Temperature (deg C) = 63.00
Electrical balance (eq) = -2.208e-10
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00
Iterations = 19
Total H = 1.150124e+02
Total O = 5.756054e+01
----------------------------Distribution of species----------------------------
Log Log Log mole V
Species Molality Activity Molality Activity Gamma cm3/mol
OH- 5.862e-07 4.823e-07 -6.232 -6.317 -0.085 -3.68
H+ 2.734e-07 2.348e-07 -6.563 -6.629 -0.066 0.00
H2O 5.551e+01 9.996e-01 1.744 -0.000 0.000 18.35
Ca 1.311e-02
Ca+2 8.871e-03 4.356e-03 -2.052 -2.361 -0.309 -16.77
CaSO4 4.238e-03 4.273e-03 -2.373 -2.369 0.004 8.42
CaHSO4+ 1.576e-08 1.307e-08 -7.802 -7.884 -0.081 (0)
CaOH+ 3.658e-09 3.077e-09 -8.437 -8.512 -0.075 (0)
H(0) 4.573e-15
H2 2.287e-15 2.305e-15 -14.641 -14.637 0.004 28.58
O(0) 0.000e+00
O2 0.000e+00 0.000e+00 -52.232 -52.229 0.004 32.51
S(-2) 4.337e-26
HS- 2.448e-26 2.014e-26 -25.611 -25.696 -0.085 21.27
H2S 1.889e-26 1.905e-26 -25.724 -25.720 0.004 37.26
S-2 2.151e-31 1.042e-31 -30.667 -30.982 -0.315 (0)
S(6) 1.311e-02
SO4-2 8.870e-03 4.284e-03 -2.052 -2.368 -0.316 15.06
CaSO4 4.238e-03 4.273e-03 -2.373 -2.369 0.004 8.42
HSO4- 3.005e-07 2.496e-07 -6.522 -6.603 -0.081 36.49
CaHSO4+ 1.576e-08 1.307e-08 -7.802 -7.884 -0.081 (0)
------------------------------Saturation indices-------------------------------
Phase SI log IAP log K(336 K, 1 atm)
Anhydrite 0.00 -4.73 -4.73 CaSO4
Gypsum -0.06 -4.73 -4.67 CaSO4:2H2O
H2(g) -11.50 -14.64 -3.14 H2
H2O(g) -0.65 -0.00 0.65 H2O
H2S(g) -24.39 -32.33 -7.94 H2S
O2(g) -49.16 -52.23 -3.07 O2
Sulfur -18.47 -14.38 4.09 S
Reaction step 40.
Using solution 1. Pure water
Using pure phase assemblage 1.
Using temperature 1.
-------------------------------Phase assemblage--------------------------------
Moles in assemblage
Phase SI log IAP log K(T, P) Initial Final Delta
Anhydrite -0.00 -4.74 -4.74 1.000e+00 1.987e+00 9.867e-01
Gypsum -0.07 -4.74 -4.67 1.000e+00 0 -1.000e+00
-----------------------------Solution composition------------------------------
Elements Molality Moles
Ca 1.283e-02 1.329e-02
S 1.283e-02 1.329e-02
----------------------------Description of solution----------------------------
pH = 6.619 Charge balance
pe = -0.950 Adjusted to redox equilibrium
Specific Conductance (uS/cm, 64 oC) = 3637
Density (g/cm3) = 0.98278
Volume (L) = 1.05689
Activity of water = 1.000
Ionic strength = 3.479e-02
Mass of water (kg) = 1.036e+00
Total alkalinity (eq/kg) = 2.131e-10
Total carbon (mol/kg) = 0.000e+00
Total CO2 (mol/kg) = 0.000e+00
Temperature (deg C) = 64.00
Electrical balance (eq) = -2.208e-10
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00
Iterations = 19
Total H = 1.150124e+02
Total O = 5.755937e+01
----------------------------Distribution of species----------------------------
Log Log Log mole V
Species Molality Activity Molality Activity Gamma cm3/mol
OH- 6.029e-07 4.966e-07 -6.220 -6.304 -0.084 -3.71
H+ 2.795e-07 2.403e-07 -6.554 -6.619 -0.066 0.00
H2O 5.551e+01 9.996e-01 1.744 -0.000 0.000 18.36
Ca 1.283e-02
Ca+2 8.697e-03 4.287e-03 -2.061 -2.368 -0.307 -16.79
CaSO4 4.130e-03 4.163e-03 -2.384 -2.381 0.003 8.44
CaHSO4+ 1.603e-08 1.331e-08 -7.795 -7.876 -0.081 (0)
CaOH+ 3.515e-09 2.960e-09 -8.454 -8.529 -0.075 (0)
H(0) 4.562e-15
H2 2.281e-15 2.299e-15 -14.642 -14.638 0.003 28.58
O(0) 0.000e+00
O2 0.000e+00 0.000e+00 -51.977 -51.973 0.003 32.55
S(-2) 3.430e-26
HS- 1.925e-26 1.586e-26 -25.716 -25.800 -0.084 21.26
H2S 1.505e-26 1.517e-26 -25.823 -25.819 0.003 37.26
S-2 1.739e-31 8.461e-32 -30.760 -31.073 -0.313 (0)
S(6) 1.283e-02
SO4-2 8.697e-03 4.217e-03 -2.061 -2.375 -0.314 15.03
CaSO4 4.130e-03 4.163e-03 -2.384 -2.381 0.003 8.44
HSO4- 3.107e-07 2.583e-07 -6.508 -6.588 -0.080 36.49
CaHSO4+ 1.603e-08 1.331e-08 -7.795 -7.876 -0.081 (0)
------------------------------Saturation indices-------------------------------
Phase SI log IAP log K(337 K, 1 atm)
Anhydrite -0.00 -4.74 -4.74 CaSO4
Gypsum -0.07 -4.74 -4.67 CaSO4:2H2O
H2(g) -11.50 -14.64 -3.14 H2
H2O(g) -0.63 -0.00 0.63 H2O
H2S(g) -24.48 -32.42 -7.93 H2S
O2(g) -48.90 -51.97 -3.08 O2
Sulfur -18.56 -14.48 4.08 S
Reaction step 41.
Using solution 1. Pure water
Using pure phase assemblage 1.
Using temperature 1.
-------------------------------Phase assemblage--------------------------------
Moles in assemblage
Phase SI log IAP log K(T, P) Initial Final Delta
Anhydrite -0.00 -4.76 -4.76 1.000e+00 1.987e+00 9.870e-01
Gypsum -0.08 -4.76 -4.67 1.000e+00 0 -1.000e+00
-----------------------------Solution composition------------------------------
Elements Molality Moles
Ca 1.255e-02 1.300e-02
S 1.255e-02 1.300e-02
----------------------------Description of solution----------------------------
pH = 6.609 Charge balance
pe = -0.938 Adjusted to redox equilibrium
Specific Conductance (uS/cm, 65 oC) = 3624
Density (g/cm3) = 0.98220
Volume (L) = 1.05745
Activity of water = 1.000
Ionic strength = 3.410e-02
Mass of water (kg) = 1.036e+00
Total alkalinity (eq/kg) = 2.131e-10
Total carbon (mol/kg) = 0.000e+00
Total CO2 (mol/kg) = 0.000e+00
Temperature (deg C) = 65.00
Electrical balance (eq) = -2.206e-10
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00
Iterations = 16
Total H = 1.150124e+02
Total O = 5.755823e+01
----------------------------Distribution of species----------------------------
Log Log Log mole V
Species Molality Activity Molality Activity Gamma cm3/mol
OH- 6.200e-07 5.112e-07 -6.208 -6.291 -0.084 -3.75
H+ 2.857e-07 2.458e-07 -6.544 -6.609 -0.065 0.00
H2O 5.551e+01 9.996e-01 1.744 -0.000 0.000 18.37
Ca 1.255e-02
Ca+2 8.526e-03 4.218e-03 -2.069 -2.375 -0.306 -16.81
CaSO4 4.024e-03 4.056e-03 -2.395 -2.392 0.003 8.45
CaHSO4+ 1.631e-08 1.355e-08 -7.788 -7.868 -0.080 (0)
CaOH+ 3.379e-09 2.847e-09 -8.471 -8.546 -0.074 (0)
H(0) 4.488e-15
H2 2.244e-15 2.262e-15 -14.649 -14.646 0.003 28.58
O(0) 0.000e+00
O2 0.000e+00 0.000e+00 -51.711 -51.707 0.003 32.59
S(-2) 2.568e-26
HS- 1.434e-26 1.182e-26 -25.844 -25.927 -0.084 21.24
H2S 1.135e-26 1.144e-26 -25.945 -25.942 0.003 37.26
S-2 1.332e-31 6.505e-32 -30.875 -31.187 -0.311 (0)
S(6) 1.255e-02
SO4-2 8.526e-03 4.150e-03 -2.069 -2.382 -0.313 15.00
CaSO4 4.024e-03 4.056e-03 -2.395 -2.392 0.003 8.45
HSO4- 3.211e-07 2.672e-07 -6.493 -6.573 -0.080 36.49
CaHSO4+ 1.631e-08 1.355e-08 -7.788 -7.868 -0.080 (0)
------------------------------Saturation indices-------------------------------
Phase SI log IAP log K(338 K, 1 atm)
Anhydrite -0.00 -4.76 -4.76 CaSO4
Gypsum -0.08 -4.76 -4.67 CaSO4:2H2O
H2(g) -11.51 -14.65 -3.14 H2
H2O(g) -0.61 -0.00 0.61 H2O
H2S(g) -24.60 -32.54 -7.93 H2S
O2(g) -48.63 -51.71 -3.08 O2
Sulfur -18.66 -14.60 4.06 S
Reaction step 42.
Using solution 1. Pure water
Using pure phase assemblage 1.
Using temperature 1.
-------------------------------Phase assemblage--------------------------------
Moles in assemblage
Phase SI log IAP log K(T, P) Initial Final Delta
Anhydrite 0.00 -4.77 -4.77 1.000e+00 1.987e+00 9.873e-01
Gypsum -0.09 -4.77 -4.68 1.000e+00 0 -1.000e+00
-----------------------------Solution composition------------------------------
Elements Molality Moles
Ca 1.228e-02 1.272e-02
S 1.228e-02 1.272e-02
----------------------------Description of solution----------------------------
pH = 6.600 Charge balance
pe = -0.931 Adjusted to redox equilibrium
Specific Conductance (uS/cm, 66 oC) = 3609
Density (g/cm3) = 0.98162
Volume (L) = 1.05802
Activity of water = 1.000
Ionic strength = 3.343e-02
Mass of water (kg) = 1.036e+00
Total alkalinity (eq/kg) = 2.131e-10
Total carbon (mol/kg) = 0.000e+00
Total CO2 (mol/kg) = 0.000e+00
Temperature (deg C) = 66.00
Electrical balance (eq) = -2.202e-10
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00
Iterations = 16
Total H = 1.150124e+02
Total O = 5.755710e+01
----------------------------Distribution of species----------------------------
Log Log Log mole V
Species Molality Activity Molality Activity Gamma cm3/mol
OH- 6.373e-07 5.261e-07 -6.196 -6.279 -0.083 -3.79
H+ 2.920e-07 2.513e-07 -6.535 -6.600 -0.065 0.00
H2O 5.551e+01 9.996e-01 1.744 -0.000 0.000 18.38
Ca 1.228e-02
Ca+2 8.359e-03 4.150e-03 -2.078 -2.382 -0.304 -16.83
CaSO4 3.920e-03 3.951e-03 -2.407 -2.403 0.003 8.47
CaHSO4+ 1.658e-08 1.379e-08 -7.780 -7.860 -0.080 (0)
CaOH+ 3.248e-09 2.740e-09 -8.488 -8.562 -0.074 (0)
H(0) 4.503e-15
H2 2.252e-15 2.269e-15 -14.648 -14.644 0.003 28.58
O(0) 0.000e+00
O2 0.000e+00 0.000e+00 -51.463 -51.460 0.003 32.63
S(-2) 2.083e-26
HS- 1.156e-26 9.545e-27 -25.937 -26.020 -0.083 21.23
H2S 9.270e-27 9.342e-27 -26.033 -26.030 0.003 37.27
S-2 1.105e-31 5.417e-32 -30.957 -31.266 -0.310 (0)
S(6) 1.228e-02
SO4-2 8.358e-03 4.085e-03 -2.078 -2.389 -0.311 14.97
CaSO4 3.920e-03 3.951e-03 -2.407 -2.403 0.003 8.47
HSO4- 3.318e-07 2.764e-07 -6.479 -6.558 -0.079 36.49
CaHSO4+ 1.658e-08 1.379e-08 -7.780 -7.860 -0.080 (0)
------------------------------Saturation indices-------------------------------
Phase SI log IAP log K(339 K, 1 atm)
Anhydrite 0.00 -4.77 -4.77 CaSO4
Gypsum -0.09 -4.77 -4.68 CaSO4:2H2O
H2(g) -11.51 -14.64 -3.14 H2
H2O(g) -0.59 -0.00 0.59 H2O
H2S(g) -24.69 -32.62 -7.93 H2S
O2(g) -48.38 -51.46 -3.08 O2
Sulfur -18.73 -14.69 4.04 S
Reaction step 43.
Using solution 1. Pure water
Using pure phase assemblage 1.
Using temperature 1.
-------------------------------Phase assemblage--------------------------------
Moles in assemblage
Phase SI log IAP log K(T, P) Initial Final Delta
Anhydrite 0.00 -4.78 -4.78 1.000e+00 1.988e+00 9.876e-01
Gypsum -0.10 -4.78 -4.68 1.000e+00 0 -1.000e+00
-----------------------------Solution composition------------------------------
Elements Molality Moles
Ca 1.201e-02 1.245e-02
S 1.201e-02 1.245e-02
----------------------------Description of solution----------------------------
pH = 6.590 Charge balance
pe = -0.921 Adjusted to redox equilibrium
Specific Conductance (uS/cm, 67 oC) = 3594
Density (g/cm3) = 0.98103
Volume (L) = 1.05860
Activity of water = 1.000
Ionic strength = 3.278e-02
Mass of water (kg) = 1.036e+00
Total alkalinity (eq/kg) = 2.131e-10
Total carbon (mol/kg) = 0.000e+00
Total CO2 (mol/kg) = 0.000e+00
Temperature (deg C) = 67.00
Electrical balance (eq) = -2.198e-10
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00
Iterations = 16
Total H = 1.150124e+02
Total O = 5.755600e+01
----------------------------Distribution of species----------------------------
Log Log Log mole V
Species Molality Activity Molality Activity Gamma cm3/mol
OH- 6.550e-07 5.414e-07 -6.184 -6.267 -0.083 -3.82
H+ 2.983e-07 2.569e-07 -6.525 -6.590 -0.065 0.00
H2O 5.551e+01 9.997e-01 1.744 -0.000 0.000 18.39
Ca 1.201e-02
Ca+2 8.194e-03 4.083e-03 -2.087 -2.389 -0.302 -16.85
CaSO4 3.819e-03 3.848e-03 -2.418 -2.415 0.003 8.48
CaHSO4+ 1.685e-08 1.403e-08 -7.773 -7.853 -0.080 (0)
CaOH+ 3.123e-09 2.637e-09 -8.505 -8.579 -0.074 (0)
H(0) 4.478e-15
H2 2.239e-15 2.256e-15 -14.650 -14.647 0.003 28.58
O(0) 0.000e+00
O2 0.000e+00 0.000e+00 -51.209 -51.206 0.003 32.67
S(-2) 1.632e-26
HS- 9.006e-27 7.443e-27 -26.045 -26.128 -0.083 21.21
H2S 7.314e-27 7.369e-27 -26.136 -26.133 0.003 37.27
S-2 8.849e-32 4.356e-32 -31.053 -31.361 -0.308 (0)
S(6) 1.201e-02
SO4-2 8.193e-03 4.021e-03 -2.087 -2.396 -0.309 14.93
CaSO4 3.819e-03 3.848e-03 -2.418 -2.415 0.003 8.48
HSO4- 3.427e-07 2.859e-07 -6.465 -6.544 -0.079 36.49
CaHSO4+ 1.685e-08 1.403e-08 -7.773 -7.853 -0.080 (0)
------------------------------Saturation indices-------------------------------
Phase SI log IAP log K(340 K, 1 atm)
Anhydrite 0.00 -4.78 -4.78 CaSO4
Gypsum -0.10 -4.78 -4.68 CaSO4:2H2O
H2(g) -11.51 -14.65 -3.14 H2
H2O(g) -0.57 -0.00 0.57 H2O
H2S(g) -24.79 -32.72 -7.93 H2S
O2(g) -48.12 -51.21 -3.08 O2
Sulfur -18.82 -14.80 4.02 S
Reaction step 44.
Using solution 1. Pure water
Using pure phase assemblage 1.
Using temperature 1.
-------------------------------Phase assemblage--------------------------------
Moles in assemblage
Phase SI log IAP log K(T, P) Initial Final Delta
Anhydrite 0.00 -4.80 -4.80 1.000e+00 1.988e+00 9.878e-01
Gypsum -0.11 -4.80 -4.69 1.000e+00 0 -1.000e+00
-----------------------------Solution composition------------------------------
Elements Molality Moles
Ca 1.175e-02 1.218e-02
S 1.175e-02 1.218e-02
----------------------------Description of solution----------------------------
pH = 6.581 Charge balance
pe = -0.918 Adjusted to redox equilibrium
Specific Conductance (uS/cm, 68 oC) = 3579
Density (g/cm3) = 0.98044
Volume (L) = 1.05919
Activity of water = 1.000
Ionic strength = 3.213e-02
Mass of water (kg) = 1.036e+00
Total alkalinity (eq/kg) = 2.131e-10
Total carbon (mol/kg) = 0.000e+00
Total CO2 (mol/kg) = 0.000e+00
Temperature (deg C) = 68.00
Electrical balance (eq) = -2.208e-10
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00
Iterations = 19
Total H = 1.150124e+02
Total O = 5.755492e+01
----------------------------Distribution of species----------------------------
Log Log Log mole V
Species Molality Activity Molality Activity Gamma cm3/mol
OH- 6.730e-07 5.569e-07 -6.172 -6.254 -0.082 -3.86
H+ 3.047e-07 2.626e-07 -6.516 -6.581 -0.065 0.00
H2O 5.551e+01 9.997e-01 1.744 -0.000 0.000 18.40
Ca 1.175e-02
Ca+2 8.032e-03 4.018e-03 -2.095 -2.396 -0.301 -16.87
CaSO4 3.720e-03 3.747e-03 -2.429 -2.426 0.003 8.50
CaHSO4+ 1.713e-08 1.428e-08 -7.766 -7.845 -0.079 (0)
CaOH+ 3.004e-09 2.538e-09 -8.522 -8.595 -0.073 (0)
H(0) 4.564e-15
H2 2.282e-15 2.299e-15 -14.642 -14.638 0.003 28.58
O(0) 0.000e+00
O2 0.000e+00 0.000e+00 -50.979 -50.975 0.003 32.71
S(-2) 1.413e-26
HS- 7.754e-27 6.416e-27 -26.111 -26.193 -0.082 21.19
H2S 6.380e-27 6.427e-27 -26.195 -26.192 0.003 37.27
S-2 7.834e-32 3.871e-32 -31.106 -31.412 -0.306 (0)
S(6) 1.175e-02
SO4-2 8.032e-03 3.957e-03 -2.095 -2.403 -0.307 14.90
CaSO4 3.720e-03 3.747e-03 -2.429 -2.426 0.003 8.50
HSO4- 3.540e-07 2.956e-07 -6.451 -6.529 -0.078 36.49
CaHSO4+ 1.713e-08 1.428e-08 -7.766 -7.845 -0.079 (0)
------------------------------Saturation indices-------------------------------
Phase SI log IAP log K(341 K, 1 atm)
Anhydrite 0.00 -4.80 -4.80 CaSO4
Gypsum -0.11 -4.80 -4.69 CaSO4:2H2O
H2(g) -11.50 -14.64 -3.14 H2
H2O(g) -0.55 -0.00 0.55 H2O
H2S(g) -24.84 -32.77 -7.93 H2S
O2(g) -47.89 -50.98 -3.08 O2
Sulfur -18.87 -14.87 4.00 S
Reaction step 45.
Using solution 1. Pure water
Using pure phase assemblage 1.
Using temperature 1.
-------------------------------Phase assemblage--------------------------------
Moles in assemblage
Phase SI log IAP log K(T, P) Initial Final Delta
Anhydrite 0.00 -4.81 -4.81 1.000e+00 1.988e+00 9.881e-01
Gypsum -0.12 -4.81 -4.69 1.000e+00 0 -1.000e+00
-----------------------------Solution composition------------------------------
Elements Molality Moles
Ca 1.150e-02 1.191e-02
S 1.150e-02 1.191e-02
----------------------------Description of solution----------------------------
pH = 6.571 Charge balance
pe = -0.910 Adjusted to redox equilibrium
Specific Conductance (uS/cm, 69 oC) = 3563
Density (g/cm3) = 0.97984
Volume (L) = 1.05978
Activity of water = 1.000
Ionic strength = 3.149e-02
Mass of water (kg) = 1.036e+00
Total alkalinity (eq/kg) = 2.131e-10
Total carbon (mol/kg) = 0.000e+00
Total CO2 (mol/kg) = 0.000e+00
Temperature (deg C) = 69.00
Electrical balance (eq) = -2.208e-10
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00
Iterations = 19
Total H = 1.150124e+02
Total O = 5.755386e+01
----------------------------Distribution of species----------------------------
Log Log Log mole V
Species Molality Activity Molality Activity Gamma cm3/mol
OH- 6.914e-07 5.728e-07 -6.160 -6.242 -0.082 -3.90
H+ 3.112e-07 2.683e-07 -6.507 -6.571 -0.064 0.00
H2O 5.551e+01 9.997e-01 1.744 -0.000 0.000 18.42
Ca 1.150e-02
Ca+2 7.873e-03 3.953e-03 -2.104 -2.403 -0.299 -16.89
CaSO4 3.623e-03 3.649e-03 -2.441 -2.438 0.003 8.51
CaHSO4+ 1.740e-08 1.452e-08 -7.759 -7.838 -0.079 (0)
CaOH+ 2.890e-09 2.444e-09 -8.539 -8.612 -0.073 (0)
H(0) 4.563e-15
H2 2.282e-15 2.298e-15 -14.642 -14.639 0.003 28.58
O(0) 0.000e+00
O2 0.000e+00 0.000e+00 -50.732 -50.729 0.003 32.75
S(-2) 1.134e-26
HS- 6.186e-27 5.125e-27 -26.209 -26.290 -0.082 21.17
H2S 5.157e-27 5.194e-27 -26.288 -26.284 0.003 37.27
S-2 6.427e-32 3.188e-32 -31.192 -31.496 -0.304 (0)
S(6) 1.150e-02
SO4-2 7.873e-03 3.894e-03 -2.104 -2.410 -0.306 14.86
CaSO4 3.623e-03 3.649e-03 -2.441 -2.438 0.003 8.51
HSO4- 3.655e-07 3.055e-07 -6.437 -6.515 -0.078 36.48
CaHSO4+ 1.740e-08 1.452e-08 -7.759 -7.838 -0.079 (0)
------------------------------Saturation indices-------------------------------
Phase SI log IAP log K(342 K, 1 atm)
Anhydrite 0.00 -4.81 -4.81 CaSO4
Gypsum -0.12 -4.81 -4.69 CaSO4:2H2O
H2(g) -11.50 -14.64 -3.14 H2
H2O(g) -0.53 -0.00 0.53 H2O
H2S(g) -24.93 -32.86 -7.93 H2S
O2(g) -47.64 -50.73 -3.09 O2
Sulfur -18.95 -14.96 3.99 S
Reaction step 46.
Using solution 1. Pure water
Using pure phase assemblage 1.
Using temperature 1.
-------------------------------Phase assemblage--------------------------------
Moles in assemblage
Phase SI log IAP log K(T, P) Initial Final Delta
Anhydrite 0.00 -4.83 -4.83 1.000e+00 1.988e+00 9.884e-01
Gypsum -0.13 -4.83 -4.69 1.000e+00 0 -1.000e+00
-----------------------------Solution composition------------------------------
Elements Molality Moles
Ca 1.124e-02 1.165e-02
S 1.124e-02 1.165e-02
----------------------------Description of solution----------------------------
pH = 6.562 Charge balance
pe = -0.903 Adjusted to redox equilibrium
Specific Conductance (uS/cm, 70 oC) = 3546
Density (g/cm3) = 0.97924
Volume (L) = 1.06037
Activity of water = 1.000
Ionic strength = 3.087e-02
Mass of water (kg) = 1.036e+00
Total alkalinity (eq/kg) = 2.131e-10
Total carbon (mol/kg) = 0.000e+00
Total CO2 (mol/kg) = 0.000e+00
Temperature (deg C) = 70.00
Electrical balance (eq) = -2.208e-10
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00
Iterations = 19
Total H = 1.150124e+02
Total O = 5.755282e+01
----------------------------Distribution of species----------------------------
Log Log Log mole V
Species Molality Activity Molality Activity Gamma cm3/mol
OH- 7.101e-07 5.890e-07 -6.149 -6.230 -0.081 -3.95
H+ 3.176e-07 2.741e-07 -6.498 -6.562 -0.064 0.00
H2O 5.551e+01 9.997e-01 1.744 -0.000 0.000 18.43
Ca 1.124e-02
Ca+2 7.717e-03 3.888e-03 -2.113 -2.410 -0.298 -16.91
CaSO4 3.528e-03 3.553e-03 -2.453 -2.449 0.003 8.53
CaHSO4+ 1.767e-08 1.476e-08 -7.753 -7.831 -0.078 (0)
CaOH+ 2.780e-09 2.354e-09 -8.556 -8.628 -0.072 (0)
H(0) 4.576e-15
H2 2.288e-15 2.304e-15 -14.641 -14.637 0.003 28.58
O(0) 0.000e+00
O2 0.000e+00 0.000e+00 -50.490 -50.487 0.003 32.79
S(-2) 9.219e-27
HS- 4.997e-27 4.145e-27 -26.301 -26.382 -0.081 21.15
H2S 4.222e-27 4.252e-27 -26.375 -26.371 0.003 37.27
S-2 5.339e-32 2.659e-32 -31.273 -31.575 -0.303 (0)
S(6) 1.124e-02
SO4-2 7.717e-03 3.832e-03 -2.113 -2.417 -0.304 14.81
CaSO4 3.528e-03 3.553e-03 -2.453 -2.449 0.003 8.53
HSO4- 3.774e-07 3.157e-07 -6.423 -6.501 -0.077 36.48
CaHSO4+ 1.767e-08 1.476e-08 -7.753 -7.831 -0.078 (0)
------------------------------Saturation indices-------------------------------
Phase SI log IAP log K(343 K, 1 atm)
Anhydrite 0.00 -4.83 -4.83 CaSO4
Gypsum -0.13 -4.83 -4.69 CaSO4:2H2O
H2(g) -11.50 -14.64 -3.14 H2
H2O(g) -0.52 -0.00 0.51 H2O
H2S(g) -25.01 -32.94 -7.93 H2S
O2(g) -47.40 -50.49 -3.09 O2
Sulfur -19.02 -15.05 3.97 S
Reaction step 47.
Using solution 1. Pure water
Using pure phase assemblage 1.
Using temperature 1.
-------------------------------Phase assemblage--------------------------------
Moles in assemblage
Phase SI log IAP log K(T, P) Initial Final Delta
Anhydrite -0.00 -4.84 -4.84 1.000e+00 1.989e+00 9.886e-01
Gypsum -0.14 -4.84 -4.70 1.000e+00 0 -1.000e+00
-----------------------------Solution composition------------------------------
Elements Molality Moles
Ca 1.100e-02 1.139e-02
S 1.100e-02 1.139e-02
----------------------------Description of solution----------------------------
pH = 6.553 Charge balance
pe = -0.793 Adjusted to redox equilibrium
Specific Conductance (uS/cm, 71 oC) = 3529
Density (g/cm3) = 0.97864
Volume (L) = 1.06098
Activity of water = 1.000
Ionic strength = 3.026e-02
Mass of water (kg) = 1.036e+00
Total alkalinity (eq/kg) = 2.131e-10
Total carbon (mol/kg) = 0.000e+00
Total CO2 (mol/kg) = 0.000e+00
Temperature (deg C) = 71.00
Electrical balance (eq) = -2.208e-10
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00
Iterations = 19
Total H = 1.150124e+02
Total O = 5.755180e+01
----------------------------Distribution of species----------------------------
Log Log Log mole V
Species Molality Activity Molality Activity Gamma cm3/mol
OH- 7.292e-07 6.055e-07 -6.137 -6.218 -0.081 -3.99
H+ 3.242e-07 2.799e-07 -6.489 -6.553 -0.064 0.00
H2O 5.551e+01 9.997e-01 1.744 -0.000 0.000 18.44
Ca 1.100e-02
Ca+2 7.564e-03 3.825e-03 -2.121 -2.417 -0.296 -16.94
CaSO4 3.435e-03 3.459e-03 -2.464 -2.461 0.003 8.54
CaHSO4+ 1.795e-08 1.500e-08 -7.746 -7.824 -0.078 (0)
CaOH+ 2.676e-09 2.267e-09 -8.573 -8.645 -0.072 (0)
H(0) 2.859e-15
H2 1.429e-15 1.439e-15 -14.845 -14.842 0.003 28.58
O(0) 0.000e+00
O2 0.000e+00 0.000e+00 -49.839 -49.836 0.003 32.83
S(-2) 1.131e-27
HS- 6.092e-28 5.058e-28 -27.215 -27.296 -0.081 21.13
H2S 5.215e-28 5.251e-28 -27.283 -27.280 0.003 37.27
S-2 6.690e-33 3.345e-33 -32.175 -32.476 -0.301 (0)
S(6) 1.100e-02
SO4-2 7.563e-03 3.771e-03 -2.121 -2.424 -0.302 14.77
CaSO4 3.435e-03 3.459e-03 -2.464 -2.461 0.003 8.54
HSO4- 3.895e-07 3.262e-07 -6.409 -6.486 -0.077 36.47
CaHSO4+ 1.795e-08 1.500e-08 -7.746 -7.824 -0.078 (0)
------------------------------Saturation indices-------------------------------
Phase SI log IAP log K(344 K, 1 atm)
Anhydrite -0.00 -4.84 -4.84 CaSO4
Gypsum -0.14 -4.84 -4.70 CaSO4:2H2O
H2(g) -11.71 -14.84 -3.14 H2
H2O(g) -0.50 -0.00 0.50 H2O
H2S(g) -25.92 -33.85 -7.93 H2S
O2(g) -46.74 -49.84 -3.09 O2
Sulfur -19.71 -15.76 3.95 S
Reaction step 48.
Using solution 1. Pure water
Using pure phase assemblage 1.
Using temperature 1.
-------------------------------Phase assemblage--------------------------------
Moles in assemblage
Phase SI log IAP log K(T, P) Initial Final Delta
Anhydrite -0.00 -4.86 -4.86 1.000e+00 1.989e+00 9.889e-01
Gypsum -0.15 -4.86 -4.70 1.000e+00 0 -1.000e+00
-----------------------------Solution composition------------------------------
Elements Molality Moles
Ca 1.076e-02 1.114e-02
S 1.076e-02 1.114e-02
----------------------------Description of solution----------------------------
pH = 6.544 Charge balance
pe = -0.890 Adjusted to redox equilibrium
Specific Conductance (uS/cm, 72 oC) = 3511
Density (g/cm3) = 0.97802
Volume (L) = 1.06159
Activity of water = 1.000
Ionic strength = 2.965e-02
Mass of water (kg) = 1.036e+00
Total alkalinity (eq/kg) = 2.131e-10
Total carbon (mol/kg) = 0.000e+00
Total CO2 (mol/kg) = 0.000e+00
Temperature (deg C) = 72.00
Electrical balance (eq) = -2.208e-10
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00
Iterations = 19
Total H = 1.150124e+02
Total O = 5.755080e+01
----------------------------Distribution of species----------------------------
Log Log Log mole V
Species Molality Activity Molality Activity Gamma cm3/mol
OH- 7.486e-07 6.223e-07 -6.126 -6.206 -0.080 -4.04
H+ 3.308e-07 2.858e-07 -6.480 -6.544 -0.063 0.00
H2O 5.551e+01 9.997e-01 1.744 -0.000 0.000 18.45
Ca 1.076e-02
Ca+2 7.413e-03 3.763e-03 -2.130 -2.424 -0.294 -16.96
CaSO4 3.344e-03 3.367e-03 -2.476 -2.473 0.003 8.55
CaHSO4+ 1.822e-08 1.525e-08 -7.739 -7.817 -0.077 (0)
CaOH+ 2.576e-09 2.184e-09 -8.589 -8.661 -0.072 (0)
H(0) 4.616e-15
H2 2.308e-15 2.324e-15 -14.637 -14.634 0.003 28.58
O(0) 0.000e+00
O2 0.000e+00 0.000e+00 -50.013 -50.010 0.003 32.87
S(-2) 6.196e-27
HS- 3.317e-27 2.758e-27 -26.479 -26.559 -0.080 21.10
H2S 2.878e-27 2.898e-27 -26.541 -26.538 0.003 37.27
S-2 3.746e-32 1.880e-32 -31.426 -31.726 -0.299 (0)
S(6) 1.076e-02
SO4-2 7.413e-03 3.710e-03 -2.130 -2.431 -0.301 14.72
CaSO4 3.344e-03 3.367e-03 -2.476 -2.473 0.003 8.55
HSO4- 4.020e-07 3.370e-07 -6.396 -6.472 -0.077 36.46
CaHSO4+ 1.822e-08 1.525e-08 -7.739 -7.817 -0.077 (0)
------------------------------Saturation indices-------------------------------
Phase SI log IAP log K(345 K, 1 atm)
Anhydrite -0.00 -4.86 -4.86 CaSO4
Gypsum -0.15 -4.86 -4.70 CaSO4:2H2O
H2(g) -11.50 -14.63 -3.13 H2
H2O(g) -0.48 -0.00 0.48 H2O
H2S(g) -25.17 -33.10 -7.93 H2S
O2(g) -46.92 -50.01 -3.09 O2
Sulfur -19.16 -15.23 3.93 S
Reaction step 49.
Using solution 1. Pure water
Using pure phase assemblage 1.
Using temperature 1.
-------------------------------Phase assemblage--------------------------------
Moles in assemblage
Phase SI log IAP log K(T, P) Initial Final Delta
Anhydrite -0.00 -4.87 -4.87 1.000e+00 1.989e+00 9.891e-01
Gypsum -0.16 -4.87 -4.71 1.000e+00 0 -1.000e+00
-----------------------------Solution composition------------------------------
Elements Molality Moles
Ca 1.052e-02 1.090e-02
S 1.052e-02 1.090e-02
----------------------------Description of solution----------------------------
pH = 6.535 Charge balance
pe = -0.954 Adjusted to redox equilibrium
Specific Conductance (uS/cm, 73 oC) = 3493
Density (g/cm3) = 0.97741
Volume (L) = 1.06221
Activity of water = 1.000
Ionic strength = 2.906e-02
Mass of water (kg) = 1.036e+00
Total alkalinity (eq/kg) = 2.131e-10
Total carbon (mol/kg) = 0.000e+00
Total CO2 (mol/kg) = 0.000e+00
Temperature (deg C) = 73.00
Electrical balance (eq) = -2.208e-10
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00
Iterations = 19
Total H = 1.150124e+02
Total O = 5.754982e+01
----------------------------Distribution of species----------------------------
Log Log Log mole V
Species Molality Activity Molality Activity Gamma cm3/mol
OH- 7.684e-07 6.395e-07 -6.114 -6.194 -0.080 -4.08
H+ 3.374e-07 2.917e-07 -6.472 -6.535 -0.063 0.00
H2O 5.551e+01 9.997e-01 1.744 -0.000 0.000 18.46
Ca 1.052e-02
Ca+2 7.266e-03 3.701e-03 -2.139 -2.432 -0.293 -16.99
CaSO4 3.255e-03 3.277e-03 -2.487 -2.485 0.003 8.57
CaHSO4+ 1.849e-08 1.549e-08 -7.733 -7.810 -0.077 (0)
CaOH+ 2.480e-09 2.105e-09 -8.606 -8.677 -0.071 (0)
H(0) 6.405e-15
H2 3.202e-15 3.224e-15 -14.495 -14.492 0.003 28.58
O(0) 0.000e+00
O2 0.000e+00 0.000e+00 -50.057 -50.054 0.003 32.91
S(-2) 1.852e-26
HS- 9.854e-27 8.201e-27 -26.006 -26.086 -0.080 21.08
H2S 8.667e-27 8.725e-27 -26.062 -26.059 0.003 37.28
S-2 1.144e-31 5.764e-32 -30.942 -31.239 -0.298 (0)
S(6) 1.052e-02
SO4-2 7.265e-03 3.651e-03 -2.139 -2.438 -0.299 14.67
CaSO4 3.255e-03 3.277e-03 -2.487 -2.485 0.003 8.57
HSO4- 4.148e-07 3.481e-07 -6.382 -6.458 -0.076 36.45
CaHSO4+ 1.849e-08 1.549e-08 -7.733 -7.810 -0.077 (0)
------------------------------Saturation indices-------------------------------
Phase SI log IAP log K(346 K, 1 atm)
Anhydrite -0.00 -4.87 -4.87 CaSO4
Gypsum -0.16 -4.87 -4.71 CaSO4:2H2O
H2(g) -11.36 -14.49 -3.13 H2
H2O(g) -0.46 -0.00 0.46 H2O
H2S(g) -24.69 -32.62 -7.93 H2S
O2(g) -46.96 -50.05 -3.09 O2
Sulfur -18.81 -14.90 3.92 S
Reaction step 50.
Using solution 1. Pure water
Using pure phase assemblage 1.
Using temperature 1.
-------------------------------Phase assemblage--------------------------------
Moles in assemblage
Phase SI log IAP log K(T, P) Initial Final Delta
Anhydrite -0.00 -4.88 -4.88 1.000e+00 1.989e+00 9.893e-01
Gypsum -0.17 -4.88 -4.71 1.000e+00 0 -1.000e+00
-----------------------------Solution composition------------------------------
Elements Molality Moles
Ca 1.029e-02 1.066e-02
S 1.029e-02 1.066e-02
----------------------------Description of solution----------------------------
pH = 6.526 Charge balance
pe = -0.770 Adjusted to redox equilibrium
Specific Conductance (uS/cm, 74 oC) = 3474
Density (g/cm3) = 0.97679
Volume (L) = 1.06284
Activity of water = 1.000
Ionic strength = 2.848e-02
Mass of water (kg) = 1.036e+00
Total alkalinity (eq/kg) = 2.131e-10
Total carbon (mol/kg) = 0.000e+00
Total CO2 (mol/kg) = 0.000e+00
Temperature (deg C) = 74.00
Electrical balance (eq) = -2.208e-10
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00
Iterations = 19
Total H = 1.150124e+02
Total O = 5.754886e+01
----------------------------Distribution of species----------------------------
Log Log Log mole V
Species Molality Activity Molality Activity Gamma cm3/mol
OH- 7.885e-07 6.570e-07 -6.103 -6.182 -0.079 -4.13
H+ 3.441e-07 2.977e-07 -6.463 -6.526 -0.063 0.00
H2O 5.551e+01 9.997e-01 1.744 -0.000 0.000 18.47
Ca 1.029e-02
Ca+2 7.121e-03 3.641e-03 -2.147 -2.439 -0.291 -17.02
CaSO4 3.168e-03 3.189e-03 -2.499 -2.496 0.003 8.58
CaHSO4+ 1.876e-08 1.573e-08 -7.727 -7.803 -0.077 (0)
CaOH+ 2.389e-09 2.029e-09 -8.622 -8.693 -0.071 (0)
H(0) 2.839e-15
H2 1.420e-15 1.429e-15 -14.848 -14.845 0.003 28.58
O(0) 0.000e+00
O2 0.000e+00 0.000e+00 -49.112 -49.109 0.003 32.95
S(-2) 5.779e-28
HS- 3.055e-28 2.545e-28 -27.515 -27.594 -0.079 21.05
H2S 2.724e-28 2.742e-28 -27.565 -27.562 0.003 37.28
S-2 3.646e-33 1.844e-33 -32.438 -32.734 -0.296 (0)
S(6) 1.029e-02
SO4-2 7.120e-03 3.592e-03 -2.147 -2.445 -0.297 14.62
CaSO4 3.168e-03 3.189e-03 -2.499 -2.496 0.003 8.58
HSO4- 4.278e-07 3.594e-07 -6.369 -6.444 -0.076 36.44
CaHSO4+ 1.876e-08 1.573e-08 -7.727 -7.803 -0.077 (0)
------------------------------Saturation indices-------------------------------
Phase SI log IAP log K(347 K, 1 atm)
Anhydrite -0.00 -4.88 -4.88 CaSO4
Gypsum -0.17 -4.88 -4.71 CaSO4:2H2O
H2(g) -11.71 -14.84 -3.13 H2
H2O(g) -0.44 -0.00 0.44 H2O
H2S(g) -26.19 -34.12 -7.93 H2S
O2(g) -46.01 -49.11 -3.10 O2
Sulfur -19.95 -16.05 3.90 S
Reaction step 51.
Using solution 1. Pure water
Using pure phase assemblage 1.
Using temperature 1.
-------------------------------Phase assemblage--------------------------------
Moles in assemblage
Phase SI log IAP log K(T, P) Initial Final Delta
Anhydrite -0.00 -4.90 -4.90 1.000e+00 1.990e+00 9.896e-01
Gypsum -0.18 -4.90 -4.72 1.000e+00 0 -1.000e+00
-----------------------------Solution composition------------------------------
Elements Molality Moles
Ca 1.006e-02 1.042e-02
S 1.006e-02 1.042e-02
----------------------------Description of solution----------------------------
pH = 6.518 Charge balance
pe = -0.763 Adjusted to redox equilibrium
Specific Conductance (uS/cm, 75 oC) = 3455
Density (g/cm3) = 0.97616
Volume (L) = 1.06347
Activity of water = 1.000
Ionic strength = 2.791e-02
Mass of water (kg) = 1.036e+00
Total alkalinity (eq/kg) = 2.131e-10
Total carbon (mol/kg) = 0.000e+00
Total CO2 (mol/kg) = 0.000e+00
Temperature (deg C) = 75.00
Electrical balance (eq) = -2.208e-10
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00
Iterations = 19
Total H = 1.150124e+02
Total O = 5.754791e+01
----------------------------Distribution of species----------------------------
Log Log Log mole V
Species Molality Activity Molality Activity Gamma cm3/mol
OH- 8.090e-07 6.748e-07 -6.092 -6.171 -0.079 -4.18
H+ 3.508e-07 3.037e-07 -6.455 -6.518 -0.063 0.00
H2O 5.551e+01 9.997e-01 1.744 -0.000 0.000 18.48
Ca 1.006e-02
Ca+2 6.979e-03 3.581e-03 -2.156 -2.446 -0.290 -17.04
CaSO4 3.083e-03 3.103e-03 -2.511 -2.508 0.003 8.59
CaHSO4+ 1.904e-08 1.598e-08 -7.720 -7.797 -0.076 (0)
CaOH+ 2.301e-09 1.956e-09 -8.638 -8.709 -0.070 (0)
H(0) 2.843e-15
H2 1.421e-15 1.430e-15 -14.847 -14.845 0.003 28.58
O(0) 0.000e+00
O2 0.000e+00 0.000e+00 -48.875 -48.872 0.003 32.99
S(-2) 4.693e-28
HS- 2.465e-28 2.056e-28 -27.608 -27.687 -0.079 21.03
H2S 2.228e-28 2.243e-28 -27.652 -27.649 0.003 37.28
S-2 3.024e-33 1.536e-33 -32.519 -32.814 -0.294 (0)
S(6) 1.006e-02
SO4-2 6.978e-03 3.534e-03 -2.156 -2.452 -0.295 14.56
CaSO4 3.083e-03 3.103e-03 -2.511 -2.508 0.003 8.59
HSO4- 4.413e-07 3.711e-07 -6.355 -6.431 -0.075 36.43
CaHSO4+ 1.904e-08 1.598e-08 -7.720 -7.797 -0.076 (0)
------------------------------Saturation indices-------------------------------
Phase SI log IAP log K(348 K, 1 atm)
Anhydrite -0.00 -4.90 -4.90 CaSO4
Gypsum -0.18 -4.90 -4.72 CaSO4:2H2O
H2(g) -11.71 -14.84 -3.13 H2
H2O(g) -0.42 -0.00 0.42 H2O
H2S(g) -26.27 -34.20 -7.93 H2S
O2(g) -45.77 -48.87 -3.10 O2
Sulfur -20.02 -16.14 3.88 S
------------------
End of simulation.
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Reading input data for simulation 2.
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End of Run after 0.08 Seconds.
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