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iphreeqc/ex2.out
David L Parkhurst 234f998f06 Linux 64-bit on lobo02 
git-svn-id: svn://136.177.114.72/svn_GW/phreeqc3/trunk@7234 1feff8c3-07ed-0310-ac33-dd36852eb9cd
2012-12-19 01:08:56 +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 = 1.007e-07
Mass of water (kg) = 1.000e+00
Total alkalinity (eq/kg) = 1.217e-09
Total carbon (mol/kg) = 0.000e+00
Total CO2 (mol/kg) = 0.000e+00
Temperature (deg C) = 25.00
Electrical balance (eq) = -1.217e-09
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.60
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- 1.013e-07 1.012e-07 -6.995 -6.995 -0.000 -4.14
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 -0.30 -4.58 -4.28 1.000e+00 0 -1.000e+00
Gypsum 0.00 -4.58 -4.58 1.000e+00 1.985e+00 9.855e-01
-----------------------------Solution composition------------------------------
Elements Molality Moles
Ca 1.508e-02 1.455e-02
S 1.508e-02 1.455e-02
----------------------------Description of solution----------------------------
pH = 7.066 Charge balance
pe = 10.744 Adjusted to redox equilibrium
Specific Conductance (uS/cm, 25 oC) = 2161
Density (g/cm3) = 0.99909
Volume (L) = 0.96829
Activity of water = 1.000
Ionic strength = 4.183e-02
Mass of water (kg) = 9.645e-01
Total alkalinity (eq/kg) = 1.261e-09
Total carbon (mol/kg) = 0.000e+00
Total CO2 (mol/kg) = 0.000e+00
Temperature (deg C) = 25.00
Electrical balance (eq) = -1.217e-09
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- 1.431e-07 1.178e-07 -6.844 -6.929 -0.084 -3.90
H+ 9.974e-08 8.587e-08 -7.001 -7.066 -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 -17.66
CaSO4 4.627e-03 4.672e-03 -2.335 -2.331 0.004 7.50
CaOH+ 1.203e-08 1.000e-08 -7.920 -8.000 -0.080 (0)
CaHSO4+ 3.172e-09 2.637e-09 -8.499 -8.579 -0.080 (0)
H(0) 3.361e-39
H2 1.680e-39 1.697e-39 -38.775 -38.770 0.004 28.61
O(0) 2.866e-15
O2 1.433e-15 1.447e-15 -14.844 -14.840 0.004 30.40
S(-2) 0.000e+00
HS- 0.000e+00 0.000e+00 -118.107 -118.192 -0.084 20.77
H2S 0.000e+00 0.000e+00 -118.320 -118.316 0.004 37.16
S-2 0.000e+00 0.000e+00 -123.731 -124.043 -0.312 (0)
S(6) 1.508e-02
SO4-2 1.046e-02 5.075e-03 -1.981 -2.295 -0.314 14.66
CaSO4 4.627e-03 4.672e-03 -2.335 -2.331 0.004 7.50
HSO4- 5.096e-08 4.237e-08 -7.293 -7.373 -0.080 40.44
CaHSO4+ 3.172e-09 2.637e-09 -8.499 -8.579 -0.080 (0)
------------------------------Saturation indices-------------------------------
Phase SI log IAP log K(298 K, 1 atm)
Anhydrite -0.30 -4.58 -4.28 CaSO4
Gypsum 0.00 -4.58 -4.58 CaSO4:2H2O
H2(g) -35.67 -38.77 -3.10 H2
H2O(g) -1.50 -0.00 1.50 H2O
H2S(g) -117.27 -125.26 -7.99 H2S
O2(g) -11.95 -14.84 -2.89 O2
Sulfur -87.58 -82.70 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 -0.29 -4.58 -4.29 1.000e+00 0 -1.000e+00
Gypsum 0.00 -4.58 -4.58 1.000e+00 1.985e+00 9.854e-01
-----------------------------Solution composition------------------------------
Elements Molality Moles
Ca 1.513e-02 1.459e-02
S 1.513e-02 1.459e-02
----------------------------Description of solution----------------------------
pH = 7.052 Charge balance
pe = 10.675 Adjusted to redox equilibrium
Specific Conductance (uS/cm, 26 oC) = 2212
Density (g/cm3) = 0.99883
Volume (L) = 0.96855
Activity of water = 1.000
Ionic strength = 4.188e-02
Mass of water (kg) = 9.645e-01
Total alkalinity (eq/kg) = 1.261e-09
Total carbon (mol/kg) = 0.000e+00
Total CO2 (mol/kg) = 0.000e+00
Temperature (deg C) = 26.00
Electrical balance (eq) = -1.217e-09
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- 1.497e-07 1.232e-07 -6.825 -6.910 -0.085 -3.86
H+ 1.030e-07 8.862e-08 -6.987 -7.052 -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 -17.65
CaSO4 4.658e-03 4.703e-03 -2.332 -2.328 0.004 7.54
CaOH+ 1.166e-08 9.686e-09 -7.933 -8.014 -0.080 (0)
CaHSO4+ 3.344e-09 2.779e-09 -8.476 -8.556 -0.080 (0)
H(0) 4.867e-39
H2 2.433e-39 2.457e-39 -38.614 -38.610 0.004 28.60
O(0) 2.866e-15
O2 1.433e-15 1.447e-15 -14.844 -14.840 0.004 30.48
S(-2) 0.000e+00
HS- 0.000e+00 0.000e+00 -117.580 -117.665 -0.085 20.81
H2S 0.000e+00 0.000e+00 -117.793 -117.789 0.004 37.17
S-2 0.000e+00 0.000e+00 -123.188 -123.501 -0.313 (0)
S(6) 1.513e-02
SO4-2 1.047e-02 5.073e-03 -1.980 -2.295 -0.315 14.78
CaSO4 4.658e-03 4.703e-03 -2.332 -2.328 0.004 7.54
HSO4- 5.376e-08 4.468e-08 -7.270 -7.350 -0.080 40.50
CaHSO4+ 3.344e-09 2.779e-09 -8.476 -8.556 -0.080 (0)
------------------------------Saturation indices-------------------------------
Phase SI log IAP log K(299 K, 1 atm)
Anhydrite -0.29 -4.58 -4.29 CaSO4
Gypsum 0.00 -4.58 -4.58 CaSO4:2H2O
H2(g) -35.51 -38.61 -3.10 H2
H2O(g) -1.48 -0.00 1.48 H2O
H2S(g) -116.73 -124.72 -7.99 H2S
O2(g) -11.94 -14.84 -2.90 O2
Sulfur -87.19 -82.33 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 -0.28 -4.58 -4.30 1.000e+00 0 -1.000e+00
Gypsum 0.00 -4.58 -4.58 1.000e+00 1.985e+00 9.854e-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 = 10.607 Adjusted to redox equilibrium
Specific Conductance (uS/cm, 27 oC) = 2262
Density (g/cm3) = 0.99856
Volume (L) = 0.96882
Activity of water = 1.000
Ionic strength = 4.191e-02
Mass of water (kg) = 9.645e-01
Total alkalinity (eq/kg) = 1.261e-09
Total carbon (mol/kg) = 0.000e+00
Total CO2 (mol/kg) = 0.000e+00
Temperature (deg C) = 27.00
Electrical balance (eq) = -1.217e-09
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- 1.564e-07 1.287e-07 -6.806 -6.890 -0.085 -3.83
H+ 1.063e-07 9.143e-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 -17.64
CaSO4 4.688e-03 4.733e-03 -2.329 -2.325 0.004 7.57
CaOH+ 1.130e-08 9.384e-09 -7.947 -8.028 -0.081 (0)
CaHSO4+ 3.525e-09 2.929e-09 -8.453 -8.533 -0.081 (0)
H(0) 7.024e-39
H2 3.512e-39 3.546e-39 -38.454 -38.450 0.004 28.60
O(0) 2.872e-15
O2 1.436e-15 1.450e-15 -14.843 -14.839 0.004 30.55
S(-2) 0.000e+00
HS- 0.000e+00 0.000e+00 -117.059 -117.144 -0.085 20.85
H2S 0.000e+00 0.000e+00 -117.271 -117.266 0.004 37.17
S-2 0.000e+00 0.000e+00 -122.650 -122.964 -0.314 (0)
S(6) 1.517e-02
SO4-2 1.048e-02 5.070e-03 -1.980 -2.295 -0.315 14.90
CaSO4 4.688e-03 4.733e-03 -2.329 -2.325 0.004 7.57
HSO4- 5.670e-08 4.710e-08 -7.246 -7.327 -0.081 40.57
CaHSO4+ 3.525e-09 2.929e-09 -8.453 -8.533 -0.081 (0)
------------------------------Saturation indices-------------------------------
Phase SI log IAP log K(300 K, 1 atm)
Anhydrite -0.28 -4.58 -4.30 CaSO4
Gypsum 0.00 -4.58 -4.58 CaSO4:2H2O
H2(g) -35.34 -38.45 -3.11 H2
H2O(g) -1.45 -0.00 1.45 H2O
H2S(g) -116.19 -124.18 -7.99 H2S
O2(g) -11.93 -14.84 -2.91 O2
Sulfur -86.81 -81.97 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 -0.27 -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 1.520e-02 1.466e-02
S 1.520e-02 1.466e-02
----------------------------Description of solution----------------------------
pH = 7.025 Charge balance
pe = 10.540 Adjusted to redox equilibrium
Specific Conductance (uS/cm, 28 oC) = 2313
Density (g/cm3) = 0.99828
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) = 1.261e-09
Total carbon (mol/kg) = 0.000e+00
Total CO2 (mol/kg) = 0.000e+00
Temperature (deg C) = 28.00
Electrical balance (eq) = -1.217e-09
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- 1.634e-07 1.344e-07 -6.787 -6.872 -0.085 -3.79
H+ 1.096e-07 9.431e-08 -6.960 -7.025 -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 -17.62
CaSO4 4.716e-03 4.762e-03 -2.326 -2.322 0.004 7.61
CaOH+ 1.095e-08 9.091e-09 -7.961 -8.041 -0.081 (0)
CaHSO4+ 3.715e-09 3.085e-09 -8.430 -8.511 -0.081 (0)
H(0) 1.008e-38
H2 5.041e-39 5.090e-39 -38.297 -38.293 0.004 28.60
O(0) 2.894e-15
O2 1.447e-15 1.461e-15 -14.840 -14.835 0.004 30.63
S(-2) 0.000e+00
HS- 0.000e+00 0.000e+00 -116.546 -116.631 -0.085 20.89
H2S 0.000e+00 0.000e+00 -116.757 -116.752 0.004 37.18
S-2 0.000e+00 0.000e+00 -122.121 -122.435 -0.314 (0)
S(6) 1.520e-02
SO4-2 1.049e-02 5.067e-03 -1.979 -2.295 -0.316 15.00
CaSO4 4.716e-03 4.762e-03 -2.326 -2.322 0.004 7.61
HSO4- 5.978e-08 4.964e-08 -7.223 -7.304 -0.081 40.63
CaHSO4+ 3.715e-09 3.085e-09 -8.430 -8.511 -0.081 (0)
------------------------------Saturation indices-------------------------------
Phase SI log IAP log K(301 K, 1 atm)
Anhydrite -0.27 -4.58 -4.31 CaSO4
Gypsum 0.00 -4.58 -4.58 CaSO4:2H2O
H2(g) -35.19 -38.29 -3.11 H2
H2O(g) -1.43 -0.00 1.43 H2O
H2S(g) -115.67 -123.66 -7.99 H2S
O2(g) -11.92 -14.84 -2.91 O2
Sulfur -86.43 -81.62 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 -0.26 -4.58 -4.32 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 = 10.471 Adjusted to redox equilibrium
Specific Conductance (uS/cm, 29 oC) = 2364
Density (g/cm3) = 0.99800
Volume (L) = 0.96938
Activity of water = 1.000
Ionic strength = 4.197e-02
Mass of water (kg) = 9.645e-01
Total alkalinity (eq/kg) = 1.261e-09
Total carbon (mol/kg) = 0.000e+00
Total CO2 (mol/kg) = 0.000e+00
Temperature (deg C) = 29.00
Electrical balance (eq) = -1.217e-09
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00
Iterations = 22
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- 1.707e-07 1.403e-07 -6.768 -6.853 -0.085 -3.76
H+ 1.131e-07 9.725e-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 -17.61
CaSO4 4.744e-03 4.790e-03 -2.324 -2.320 0.004 7.64
CaOH+ 1.061e-08 8.809e-09 -7.974 -8.055 -0.081 (0)
CaHSO4+ 3.913e-09 3.248e-09 -8.408 -8.488 -0.081 (0)
H(0) 1.457e-38
H2 7.284e-39 7.355e-39 -38.138 -38.133 0.004 28.60
O(0) 2.865e-15
O2 1.433e-15 1.446e-15 -14.844 -14.840 0.004 30.70
S(-2) 0.000e+00
HS- 0.000e+00 0.000e+00 -116.021 -116.106 -0.085 20.93
H2S 0.000e+00 0.000e+00 -116.231 -116.227 0.004 37.18
S-2 0.000e+00 0.000e+00 -121.580 -121.894 -0.315 (0)
S(6) 1.524e-02
SO4-2 1.049e-02 5.063e-03 -1.979 -2.296 -0.316 15.11
CaSO4 4.744e-03 4.790e-03 -2.324 -2.320 0.004 7.64
HSO4- 6.302e-08 5.231e-08 -7.201 -7.281 -0.081 40.69
CaHSO4+ 3.913e-09 3.248e-09 -8.408 -8.488 -0.081 (0)
------------------------------Saturation indices-------------------------------
Phase SI log IAP log K(302 K, 1 atm)
Anhydrite -0.26 -4.58 -4.32 CaSO4
Gypsum 0.00 -4.58 -4.58 CaSO4:2H2O
H2(g) -35.02 -38.13 -3.11 H2
H2O(g) -1.40 -0.00 1.40 H2O
H2S(g) -115.13 -123.12 -7.98 H2S
O2(g) -11.92 -14.84 -2.92 O2
Sulfur -86.05 -81.26 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 -0.25 -4.58 -4.33 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 = 10.404 Adjusted to redox equilibrium
Specific Conductance (uS/cm, 30 oC) = 2415
Density (g/cm3) = 0.99770
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) = 1.261e-09
Total carbon (mol/kg) = 0.000e+00
Total CO2 (mol/kg) = 0.000e+00
Temperature (deg C) = 30.00
Electrical balance (eq) = -1.217e-09
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00
Iterations = 17
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- 1.781e-07 1.464e-07 -6.749 -6.835 -0.085 -3.73
H+ 1.166e-07 1.003e-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 -17.61
CaSO4 4.770e-03 4.816e-03 -2.322 -2.317 0.004 7.68
CaOH+ 1.029e-08 8.537e-09 -7.988 -8.069 -0.081 (0)
CaHSO4+ 4.120e-09 3.419e-09 -8.385 -8.466 -0.081 (0)
H(0) 2.088e-38
H2 1.044e-38 1.054e-38 -37.981 -37.977 0.004 28.60
O(0) 2.870e-15
O2 1.435e-15 1.449e-15 -14.843 -14.839 0.004 30.77
S(-2) 0.000e+00
HS- 0.000e+00 0.000e+00 -115.510 -115.595 -0.085 20.97
H2S 0.000e+00 0.000e+00 -115.718 -115.714 0.004 37.18
S-2 0.000e+00 0.000e+00 -121.052 -121.368 -0.315 (0)
S(6) 1.527e-02
SO4-2 1.050e-02 5.059e-03 -1.979 -2.296 -0.317 15.20
CaSO4 4.770e-03 4.816e-03 -2.322 -2.317 0.004 7.68
HSO4- 6.642e-08 5.511e-08 -7.178 -7.259 -0.081 40.74
CaHSO4+ 4.120e-09 3.419e-09 -8.385 -8.466 -0.081 (0)
------------------------------Saturation indices-------------------------------
Phase SI log IAP log K(303 K, 1 atm)
Anhydrite -0.25 -4.58 -4.33 CaSO4
Gypsum 0.00 -4.58 -4.58 CaSO4:2H2O
H2(g) -34.87 -37.98 -3.11 H2
H2O(g) -1.38 -0.00 1.38 H2O
H2S(g) -114.61 -122.59 -7.98 H2S
O2(g) -11.91 -14.84 -2.93 O2
Sulfur -85.68 -80.91 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 -0.24 -4.58 -4.35 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 = 10.337 Adjusted to redox equilibrium
Specific Conductance (uS/cm, 31 oC) = 2466
Density (g/cm3) = 0.99740
Volume (L) = 0.96998
Activity of water = 1.000
Ionic strength = 4.199e-02
Mass of water (kg) = 9.645e-01
Total alkalinity (eq/kg) = 1.261e-09
Total carbon (mol/kg) = 0.000e+00
Total CO2 (mol/kg) = 0.000e+00
Temperature (deg C) = 31.00
Electrical balance (eq) = -1.217e-09
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00
Iterations = 20
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- 1.858e-07 1.526e-07 -6.731 -6.816 -0.085 -3.71
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 -17.60
CaSO4 4.794e-03 4.841e-03 -2.319 -2.315 0.004 7.71
CaOH+ 9.975e-09 8.275e-09 -8.001 -8.082 -0.081 (0)
CaHSO4+ 4.337e-09 3.597e-09 -8.363 -8.444 -0.081 (0)
H(0) 2.986e-38
H2 1.493e-38 1.508e-38 -37.826 -37.822 0.004 28.60
O(0) 2.871e-15
O2 1.435e-15 1.449e-15 -14.843 -14.839 0.004 30.84
S(-2) 0.000e+00
HS- 0.000e+00 0.000e+00 -115.001 -115.086 -0.085 21.00
H2S 0.000e+00 0.000e+00 -115.208 -115.204 0.004 37.19
S-2 0.000e+00 0.000e+00 -120.527 -120.843 -0.316 (0)
S(6) 1.529e-02
SO4-2 1.050e-02 5.053e-03 -1.979 -2.296 -0.318 15.29
CaSO4 4.794e-03 4.841e-03 -2.319 -2.315 0.004 7.71
HSO4- 6.998e-08 5.805e-08 -7.155 -7.236 -0.081 40.80
CaHSO4+ 4.337e-09 3.597e-09 -8.363 -8.444 -0.081 (0)
------------------------------Saturation indices-------------------------------
Phase SI log IAP log K(304 K, 1 atm)
Anhydrite -0.24 -4.58 -4.35 CaSO4
Gypsum 0.00 -4.58 -4.58 CaSO4:2H2O
H2(g) -34.71 -37.82 -3.11 H2
H2O(g) -1.35 -0.00 1.35 H2O
H2S(g) -114.09 -122.07 -7.98 H2S
O2(g) -11.91 -14.84 -2.93 O2
Sulfur -85.30 -80.56 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 -0.23 -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 1.532e-02 1.477e-02
S 1.532e-02 1.477e-02
----------------------------Description of solution----------------------------
pH = 6.973 Charge balance
pe = 10.272 Adjusted to redox equilibrium
Specific Conductance (uS/cm, 32 oC) = 2517
Density (g/cm3) = 0.99708
Volume (L) = 0.97029
Activity of water = 1.000
Ionic strength = 4.200e-02
Mass of water (kg) = 9.645e-01
Total alkalinity (eq/kg) = 1.261e-09
Total carbon (mol/kg) = 0.000e+00
Total CO2 (mol/kg) = 0.000e+00
Temperature (deg C) = 32.00
Electrical balance (eq) = -1.217e-09
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00
Iterations = 20
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- 1.938e-07 1.591e-07 -6.713 -6.798 -0.086 -3.68
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 -17.59
CaSO4 4.817e-03 4.864e-03 -2.317 -2.313 0.004 7.74
CaOH+ 9.673e-09 8.021e-09 -8.014 -8.096 -0.081 (0)
CaHSO4+ 4.563e-09 3.784e-09 -8.341 -8.422 -0.081 (0)
H(0) 4.246e-38
H2 2.123e-38 2.144e-38 -37.673 -37.669 0.004 28.60
O(0) 2.893e-15
O2 1.447e-15 1.461e-15 -14.840 -14.835 0.004 30.91
S(-2) 0.000e+00
HS- 0.000e+00 0.000e+00 -114.502 -114.587 -0.086 21.04
H2S 0.000e+00 0.000e+00 -114.708 -114.704 0.004 37.19
S-2 0.000e+00 0.000e+00 -120.013 -120.329 -0.316 (0)
S(6) 1.532e-02
SO4-2 1.050e-02 5.047e-03 -1.979 -2.297 -0.318 15.38
CaSO4 4.817e-03 4.864e-03 -2.317 -2.313 0.004 7.74
HSO4- 7.371e-08 6.113e-08 -7.132 -7.214 -0.081 40.85
CaHSO4+ 4.563e-09 3.784e-09 -8.341 -8.422 -0.081 (0)
------------------------------Saturation indices-------------------------------
Phase SI log IAP log K(305 K, 1 atm)
Anhydrite -0.23 -4.59 -4.36 CaSO4
Gypsum 0.00 -4.59 -4.59 CaSO4:2H2O
H2(g) -34.55 -37.67 -3.12 H2
H2O(g) -1.33 -0.00 1.33 H2O
H2S(g) -113.58 -121.56 -7.98 H2S
O2(g) -11.90 -14.84 -2.94 O2
Sulfur -84.94 -80.21 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 -0.22 -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 1.534e-02 1.479e-02
S 1.534e-02 1.479e-02
----------------------------Description of solution----------------------------
pH = 6.960 Charge balance
pe = 10.205 Adjusted to redox equilibrium
Specific Conductance (uS/cm, 33 oC) = 2568
Density (g/cm3) = 0.99676
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) = 1.261e-09
Total carbon (mol/kg) = 0.000e+00
Total CO2 (mol/kg) = 0.000e+00
Temperature (deg C) = 33.00
Electrical balance (eq) = -1.217e-09
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- 2.020e-07 1.658e-07 -6.695 -6.780 -0.086 -3.66
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 -17.58
CaSO4 4.839e-03 4.886e-03 -2.315 -2.311 0.004 7.77
CaOH+ 9.381e-09 7.777e-09 -8.028 -8.109 -0.081 (0)
CaHSO4+ 4.799e-09 3.978e-09 -8.319 -8.400 -0.081 (0)
H(0) 6.060e-38
H2 3.030e-38 3.060e-38 -37.519 -37.514 0.004 28.60
O(0) 2.880e-15
O2 1.440e-15 1.454e-15 -14.842 -14.837 0.004 30.97
S(-2) 0.000e+00
HS- 0.000e+00 0.000e+00 -113.995 -114.081 -0.086 21.07
H2S 0.000e+00 0.000e+00 -114.200 -114.196 0.004 37.19
S-2 0.000e+00 0.000e+00 -119.491 -119.807 -0.317 (0)
S(6) 1.534e-02
SO4-2 1.050e-02 5.041e-03 -1.979 -2.298 -0.319 15.46
CaSO4 4.839e-03 4.886e-03 -2.315 -2.311 0.004 7.77
HSO4- 7.763e-08 6.435e-08 -7.110 -7.191 -0.081 40.90
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 -0.22 -4.59 -4.37 CaSO4
Gypsum 0.00 -4.59 -4.59 CaSO4:2H2O
H2(g) -34.40 -37.51 -3.12 H2
H2O(g) -1.30 -0.00 1.30 H2O
H2S(g) -113.07 -121.04 -7.97 H2S
O2(g) -11.89 -14.84 -2.95 O2
Sulfur -84.57 -79.87 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 -0.21 -4.59 -4.38 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 = 10.140 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) = 1.261e-09
Total carbon (mol/kg) = 0.000e+00
Total CO2 (mol/kg) = 0.000e+00
Temperature (deg C) = 34.00
Electrical balance (eq) = -1.207e-09
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00
Iterations = 22
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- 2.104e-07 1.727e-07 -6.677 -6.763 -0.086 -3.64
H+ 1.315e-07 1.129e-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 -17.58
CaSO4 4.860e-03 4.907e-03 -2.313 -2.309 0.004 7.80
CaOH+ 9.100e-09 7.541e-09 -8.041 -8.123 -0.082 (0)
CaHSO4+ 5.045e-09 4.181e-09 -8.297 -8.379 -0.082 (0)
H(0) 8.623e-38
H2 4.311e-38 4.353e-38 -37.365 -37.361 0.004 28.60
O(0) 2.872e-15
O2 1.436e-15 1.450e-15 -14.843 -14.839 0.004 31.04
S(-2) 0.000e+00
HS- 0.000e+00 0.000e+00 -113.494 -113.580 -0.086 21.10
H2S 0.000e+00 0.000e+00 -113.697 -113.693 0.004 37.20
S-2 0.000e+00 0.000e+00 -118.973 -119.291 -0.317 (0)
S(6) 1.536e-02
SO4-2 1.050e-02 5.034e-03 -1.979 -2.298 -0.319 15.53
CaSO4 4.860e-03 4.907e-03 -2.313 -2.309 0.004 7.80
HSO4- 8.173e-08 6.773e-08 -7.088 -7.169 -0.082 40.95
CaHSO4+ 5.045e-09 4.181e-09 -8.297 -8.379 -0.082 (0)
------------------------------Saturation indices-------------------------------
Phase SI log IAP log K(307 K, 1 atm)
Anhydrite -0.21 -4.59 -4.38 CaSO4
Gypsum 0.00 -4.59 -4.59 CaSO4:2H2O
H2(g) -34.24 -37.36 -3.12 H2
H2O(g) -1.28 -0.00 1.28 H2O
H2S(g) -112.55 -120.53 -7.97 H2S
O2(g) -11.89 -14.84 -2.95 O2
Sulfur -84.20 -79.52 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 -0.20 -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 1.537e-02 1.482e-02
S 1.537e-02 1.482e-02
----------------------------Description of solution----------------------------
pH = 6.935 Charge balance
pe = -2.777 Adjusted to redox equilibrium
Specific Conductance (uS/cm, 35 oC) = 2670
Density (g/cm3) = 0.99609
Volume (L) = 0.97127
Activity of water = 1.000
Ionic strength = 4.197e-02
Mass of water (kg) = 9.645e-01
Total alkalinity (eq/kg) = 1.325e-09
Total carbon (mol/kg) = 0.000e+00
Total CO2 (mol/kg) = 0.000e+00
Temperature (deg C) = 35.00
Electrical balance (eq) = -1.280e-09
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00
Iterations = 47
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- 2.191e-07 1.798e-07 -6.659 -6.745 -0.086 -3.62
H+ 1.354e-07 1.163e-07 -6.868 -6.935 -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 -17.57
CaSO4 4.879e-03 4.927e-03 -2.312 -2.307 0.004 7.83
CaOH+ 8.829e-09 7.314e-09 -8.054 -8.136 -0.082 (0)
CaHSO4+ 5.302e-09 4.392e-09 -8.276 -8.357 -0.082 (0)
H(0) 6.165e-12
H2 3.082e-12 3.112e-12 -11.511 -11.507 0.004 28.60
O(0) 0.000e+00
O2 0.000e+00 0.000e+00 -66.248 -66.244 0.004 31.10
S(-2) 1.058e-10
HS- 6.496e-11 5.329e-11 -10.187 -10.273 -0.086 21.12
H2S 4.086e-11 4.126e-11 -10.389 -10.385 0.004 37.20
S-2 2.233e-16 1.074e-16 -15.651 -15.969 -0.318 (0)
S(6) 1.537e-02
SO4-2 1.049e-02 5.026e-03 -1.979 -2.299 -0.320 15.60
CaSO4 4.879e-03 4.927e-03 -2.312 -2.307 0.004 7.83
HSO4- 8.602e-08 7.127e-08 -7.065 -7.147 -0.082 40.99
CaHSO4+ 5.302e-09 4.392e-09 -8.276 -8.357 -0.082 (0)
------------------------------Saturation indices-------------------------------
Phase SI log IAP log K(308 K, 1 atm)
Anhydrite -0.20 -4.59 -4.39 CaSO4
Gypsum 0.00 -4.59 -4.59 CaSO4:2H2O
H2(g) -8.39 -11.51 -3.12 H2
H2O(g) -1.26 -0.00 1.26 H2O
H2S(g) -9.24 -17.21 -7.97 H2S
O2(g) -63.29 -66.24 -2.96 O2
Sulfur -6.73 -2.07 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 -0.19 -4.59 -4.40 1.000e+00 0 -1.000e+00
Gypsum 0.00 -4.59 -4.59 1.000e+00 1.985e+00 9.852e-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 = 10.010 Adjusted to redox equilibrium
Specific Conductance (uS/cm, 36 oC) = 2720
Density (g/cm3) = 0.99574
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) = 1.261e-09
Total carbon (mol/kg) = 0.000e+00
Total CO2 (mol/kg) = 0.000e+00
Temperature (deg C) = 36.00
Electrical balance (eq) = -1.211e-09
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00
Iterations = 19
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- 2.281e-07 1.871e-07 -6.642 -6.728 -0.086 -3.60
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 -17.57
CaSO4 4.897e-03 4.945e-03 -2.310 -2.306 0.004 7.86
CaOH+ 8.567e-09 7.095e-09 -8.067 -8.149 -0.082 (0)
CaHSO4+ 5.570e-09 4.613e-09 -8.254 -8.336 -0.082 (0)
H(0) 1.726e-37
H2 8.631e-38 8.714e-38 -37.064 -37.060 0.004 28.60
O(0) 2.882e-15
O2 1.441e-15 1.455e-15 -14.841 -14.837 0.004 31.16
S(-2) 0.000e+00
HS- 0.000e+00 0.000e+00 -112.509 -112.595 -0.086 21.15
H2S 0.000e+00 0.000e+00 -112.708 -112.704 0.004 37.20
S-2 0.000e+00 0.000e+00 -117.957 -118.275 -0.318 (0)
S(6) 1.538e-02
SO4-2 1.049e-02 5.018e-03 -1.979 -2.300 -0.320 15.66
CaSO4 4.897e-03 4.945e-03 -2.310 -2.306 0.004 7.86
HSO4- 9.052e-08 7.497e-08 -7.043 -7.125 -0.082 41.04
CaHSO4+ 5.570e-09 4.613e-09 -8.254 -8.336 -0.082 (0)
------------------------------Saturation indices-------------------------------
Phase SI log IAP log K(309 K, 1 atm)
Anhydrite -0.19 -4.59 -4.40 CaSO4
Gypsum 0.00 -4.59 -4.59 CaSO4:2H2O
H2(g) -33.94 -37.06 -3.12 H2
H2O(g) -1.23 -0.00 1.23 H2O
H2S(g) -111.55 -119.52 -7.97 H2S
O2(g) -11.87 -14.84 -2.96 O2
Sulfur -83.47 -78.84 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 -0.18 -4.59 -4.42 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 = 6.910 Charge balance
pe = 9.977 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) = 1.261e-09
Total carbon (mol/kg) = 0.000e+00
Total CO2 (mol/kg) = 0.000e+00
Temperature (deg C) = 37.00
Electrical balance (eq) = -1.209e-09
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00
Iterations = 15
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- 2.374e-07 1.947e-07 -6.624 -6.711 -0.086 -3.59
H+ 1.434e-07 1.231e-07 -6.843 -6.910 -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 -17.57
CaSO4 4.914e-03 4.961e-03 -2.309 -2.304 0.004 7.88
CaOH+ 8.315e-09 6.884e-09 -8.080 -8.162 -0.082 (0)
CaHSO4+ 5.848e-09 4.842e-09 -8.233 -8.315 -0.082 (0)
H(0) 2.109e-37
H2 1.054e-37 1.065e-37 -36.977 -36.973 0.004 28.60
O(0) 3.845e-15
O2 1.923e-15 1.941e-15 -14.716 -14.712 0.004 31.22
S(-2) 0.000e+00
HS- 0.000e+00 0.000e+00 -112.270 -112.357 -0.086 21.17
H2S 0.000e+00 0.000e+00 -112.468 -112.464 0.004 37.20
S-2 0.000e+00 0.000e+00 -117.703 -118.022 -0.319 (0)
S(6) 1.539e-02
SO4-2 1.048e-02 5.009e-03 -1.980 -2.300 -0.321 15.72
CaSO4 4.914e-03 4.961e-03 -2.309 -2.304 0.004 7.88
HSO4- 9.522e-08 7.883e-08 -7.021 -7.103 -0.082 41.08
CaHSO4+ 5.848e-09 4.842e-09 -8.233 -8.315 -0.082 (0)
------------------------------Saturation indices-------------------------------
Phase SI log IAP log K(310 K, 1 atm)
Anhydrite -0.18 -4.59 -4.42 CaSO4
Gypsum 0.00 -4.59 -4.59 CaSO4:2H2O
H2(g) -33.85 -36.97 -3.12 H2
H2O(g) -1.21 -0.00 1.21 H2O
H2S(g) -111.30 -119.27 -7.97 H2S
O2(g) -11.74 -14.71 -2.97 O2
Sulfur -83.30 -78.69 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 -0.17 -4.59 -4.43 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 = 6.898 Charge balance
pe = 9.881 Adjusted to redox equilibrium
Specific Conductance (uS/cm, 38 oC) = 2822
Density (g/cm3) = 0.99502
Volume (L) = 0.97232
Activity of water = 1.000
Ionic strength = 4.188e-02
Mass of water (kg) = 9.645e-01
Total alkalinity (eq/kg) = 1.261e-09
Total carbon (mol/kg) = 0.000e+00
Total CO2 (mol/kg) = 0.000e+00
Temperature (deg C) = 38.00
Electrical balance (eq) = -1.212e-09
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00
Iterations = 18
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- 2.470e-07 2.024e-07 -6.607 -6.694 -0.086 -3.58
H+ 1.475e-07 1.266e-07 -6.831 -6.898 -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 -17.57
CaSO4 4.929e-03 4.977e-03 -2.307 -2.303 0.004 7.91
CaOH+ 8.072e-09 6.681e-09 -8.093 -8.175 -0.082 (0)
CaHSO4+ 6.139e-09 5.081e-09 -8.212 -8.294 -0.082 (0)
H(0) 3.437e-37
H2 1.719e-37 1.735e-37 -36.765 -36.761 0.004 28.59
O(0) 2.870e-15
O2 1.435e-15 1.449e-15 -14.843 -14.839 0.004 31.28
S(-2) 0.000e+00
HS- 0.000e+00 0.000e+00 -111.530 -111.617 -0.086 21.19
H2S 0.000e+00 0.000e+00 -111.726 -111.722 0.004 37.21
S-2 0.000e+00 0.000e+00 -116.947 -117.267 -0.319 (0)
S(6) 1.540e-02
SO4-2 1.047e-02 4.999e-03 -1.980 -2.301 -0.321 15.78
CaSO4 4.929e-03 4.977e-03 -2.307 -2.303 0.004 7.91
HSO4- 1.001e-07 8.288e-08 -6.999 -7.082 -0.082 41.12
CaHSO4+ 6.139e-09 5.081e-09 -8.212 -8.294 -0.082 (0)
------------------------------Saturation indices-------------------------------
Phase SI log IAP log K(311 K, 1 atm)
Anhydrite -0.17 -4.59 -4.43 CaSO4
Gypsum 0.00 -4.59 -4.59 CaSO4:2H2O
H2(g) -33.64 -36.76 -3.13 H2
H2O(g) -1.18 -0.00 1.18 H2O
H2S(g) -110.55 -118.51 -7.97 H2S
O2(g) -11.87 -14.84 -2.97 O2
Sulfur -82.76 -78.17 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 -0.16 -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 1.486e-02
S 1.540e-02 1.486e-02
----------------------------Description of solution----------------------------
pH = 6.885 Charge balance
pe = 9.818 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) = 1.261e-09
Total carbon (mol/kg) = 0.000e+00
Total CO2 (mol/kg) = 0.000e+00
Temperature (deg C) = 39.00
Electrical balance (eq) = -1.211e-09
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00
Iterations = 15
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- 2.569e-07 2.105e-07 -6.590 -6.677 -0.087 -3.56
H+ 1.517e-07 1.302e-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 -17.57
CaSO4 4.943e-03 4.991e-03 -2.306 -2.302 0.004 7.94
CaOH+ 7.837e-09 6.484e-09 -8.106 -8.188 -0.082 (0)
CaHSO4+ 6.441e-09 5.329e-09 -8.191 -8.273 -0.082 (0)
H(0) 4.811e-37
H2 2.405e-37 2.429e-37 -36.619 -36.615 0.004 28.59
O(0) 2.892e-15
O2 1.446e-15 1.460e-15 -14.840 -14.836 0.004 31.34
S(-2) 0.000e+00
HS- 0.000e+00 0.000e+00 -111.054 -111.141 -0.087 21.21
H2S 0.000e+00 0.000e+00 -111.248 -111.244 0.004 37.21
S-2 0.000e+00 0.000e+00 -116.456 -116.776 -0.320 (0)
S(6) 1.540e-02
SO4-2 1.046e-02 4.989e-03 -1.981 -2.302 -0.321 15.83
CaSO4 4.943e-03 4.991e-03 -2.306 -2.302 0.004 7.94
HSO4- 1.053e-07 8.711e-08 -6.978 -7.060 -0.082 41.15
CaHSO4+ 6.441e-09 5.329e-09 -8.191 -8.273 -0.082 (0)
------------------------------Saturation indices-------------------------------
Phase SI log IAP log K(312 K, 1 atm)
Anhydrite -0.16 -4.60 -4.44 CaSO4
Gypsum 0.00 -4.60 -4.60 CaSO4:2H2O
H2(g) -33.49 -36.61 -3.13 H2
H2O(g) -1.16 -0.00 1.16 H2O
H2S(g) -110.06 -118.03 -7.96 H2S
O2(g) -11.86 -14.84 -2.98 O2
Sulfur -82.41 -77.84 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 -0.15 -4.60 -4.45 1.000e+00 0 -1.000e+00
Gypsum 0.00 -4.60 -4.60 1.000e+00 1.985e+00 9.851e-01
-----------------------------Solution composition------------------------------
Elements Molality Moles
Ca 1.540e-02 1.486e-02
S 1.540e-02 1.486e-02
----------------------------Description of solution----------------------------
pH = 6.874 Charge balance
pe = 9.754 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) = 1.261e-09
Total carbon (mol/kg) = 0.000e+00
Total CO2 (mol/kg) = 0.000e+00
Temperature (deg C) = 40.00
Electrical balance (eq) = -1.214e-09
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00
Iterations = 18
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- 2.670e-07 2.187e-07 -6.573 -6.660 -0.087 -3.55
H+ 1.560e-07 1.338e-07 -6.807 -6.874 -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 -17.57
CaSO4 4.956e-03 5.004e-03 -2.305 -2.301 0.004 7.96
CaOH+ 7.610e-09 6.295e-09 -8.119 -8.201 -0.082 (0)
CaHSO4+ 6.755e-09 5.587e-09 -8.170 -8.253 -0.082 (0)
H(0) 6.772e-37
H2 3.386e-37 3.419e-37 -36.470 -36.466 0.004 28.59
O(0) 2.869e-15
O2 1.434e-15 1.448e-15 -14.843 -14.839 0.004 31.40
S(-2) 0.000e+00
HS- 0.000e+00 0.000e+00 -110.568 -110.655 -0.087 21.23
H2S 0.000e+00 0.000e+00 -110.760 -110.755 0.004 37.21
S-2 0.000e+00 0.000e+00 -115.954 -116.274 -0.320 (0)
S(6) 1.540e-02
SO4-2 1.045e-02 4.978e-03 -1.981 -2.303 -0.322 15.88
CaSO4 4.956e-03 5.004e-03 -2.305 -2.301 0.004 7.96
HSO4- 1.106e-07 9.153e-08 -6.956 -7.038 -0.082 41.19
CaHSO4+ 6.755e-09 5.587e-09 -8.170 -8.253 -0.082 (0)
------------------------------Saturation indices-------------------------------
Phase SI log IAP log K(313 K, 1 atm)
Anhydrite -0.15 -4.60 -4.45 CaSO4
Gypsum 0.00 -4.60 -4.60 CaSO4:2H2O
H2(g) -33.34 -36.47 -3.13 H2
H2O(g) -1.14 -0.00 1.14 H2O
H2S(g) -109.57 -117.53 -7.96 H2S
O2(g) -11.85 -14.84 -2.98 O2
Sulfur -82.05 -77.50 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 -0.14 -4.60 -4.46 1.000e+00 0 -1.000e+00
Gypsum 0.00 -4.60 -4.60 1.000e+00 1.985e+00 9.851e-01
-----------------------------Solution composition------------------------------
Elements Molality Moles
Ca 1.540e-02 1.485e-02
S 1.540e-02 1.485e-02
----------------------------Description of solution----------------------------
pH = 6.862 Charge balance
pe = 9.691 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) = 1.261e-09
Total carbon (mol/kg) = 0.000e+00
Total CO2 (mol/kg) = 0.000e+00
Temperature (deg C) = 41.00
Electrical balance (eq) = -1.213e-09
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00
Iterations = 15
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- 2.775e-07 2.273e-07 -6.557 -6.643 -0.087 -3.55
H+ 1.603e-07 1.375e-07 -6.795 -6.862 -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 -17.57
CaSO4 4.967e-03 5.015e-03 -2.304 -2.300 0.004 7.99
CaOH+ 7.392e-09 6.113e-09 -8.131 -8.214 -0.083 (0)
CaHSO4+ 7.081e-09 5.856e-09 -8.150 -8.232 -0.083 (0)
H(0) 9.450e-37
H2 4.725e-37 4.771e-37 -36.326 -36.321 0.004 28.59
O(0) 2.883e-15
O2 1.442e-15 1.456e-15 -14.841 -14.837 0.004 31.46
S(-2) 0.000e+00
HS- 0.000e+00 0.000e+00 -110.096 -110.183 -0.087 21.25
H2S 0.000e+00 0.000e+00 -110.286 -110.281 0.004 37.22
S-2 0.000e+00 0.000e+00 -115.467 -115.788 -0.321 (0)
S(6) 1.540e-02
SO4-2 1.043e-02 4.967e-03 -1.982 -2.304 -0.322 15.92
CaSO4 4.967e-03 5.015e-03 -2.304 -2.300 0.004 7.99
HSO4- 1.163e-07 9.614e-08 -6.935 -7.017 -0.083 41.22
CaHSO4+ 7.081e-09 5.856e-09 -8.150 -8.232 -0.083 (0)
------------------------------Saturation indices-------------------------------
Phase SI log IAP log K(314 K, 1 atm)
Anhydrite -0.14 -4.60 -4.46 CaSO4
Gypsum 0.00 -4.60 -4.60 CaSO4:2H2O
H2(g) -33.19 -36.32 -3.13 H2
H2O(g) -1.12 -0.00 1.12 H2O
H2S(g) -109.08 -117.04 -7.96 H2S
O2(g) -11.85 -14.84 -2.99 O2
Sulfur -81.70 -77.18 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 -0.13 -4.60 -4.48 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 = 9.628 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) = 1.261e-09
Total carbon (mol/kg) = 0.000e+00
Total CO2 (mol/kg) = 0.000e+00
Temperature (deg C) = 42.00
Electrical balance (eq) = -1.213e-09
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00
Iterations = 15
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- 2.883e-07 2.360e-07 -6.540 -6.627 -0.087 -3.54
H+ 1.647e-07 1.412e-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 -17.57
CaSO4 4.977e-03 5.025e-03 -2.303 -2.299 0.004 8.01
CaHSO4+ 7.420e-09 6.135e-09 -8.130 -8.212 -0.083 (0)
CaOH+ 7.181e-09 5.937e-09 -8.144 -8.226 -0.083 (0)
H(0) 1.319e-36
H2 6.597e-37 6.661e-37 -36.181 -36.176 0.004 28.59
O(0) 2.883e-15
O2 1.441e-15 1.455e-15 -14.841 -14.837 0.004 31.51
S(-2) 0.000e+00
HS- 0.000e+00 0.000e+00 -109.623 -109.710 -0.087 21.26
H2S 0.000e+00 0.000e+00 -109.810 -109.806 0.004 37.22
S-2 0.000e+00 0.000e+00 -114.978 -115.299 -0.321 (0)
S(6) 1.540e-02
SO4-2 1.042e-02 4.956e-03 -1.982 -2.305 -0.323 15.96
CaSO4 4.977e-03 5.025e-03 -2.303 -2.299 0.004 8.01
HSO4- 1.221e-07 1.010e-07 -6.913 -6.996 -0.083 41.26
CaHSO4+ 7.420e-09 6.135e-09 -8.130 -8.212 -0.083 (0)
------------------------------Saturation indices-------------------------------
Phase SI log IAP log K(315 K, 1 atm)
Anhydrite -0.13 -4.60 -4.48 CaSO4
Gypsum 0.00 -4.60 -4.60 CaSO4:2H2O
H2(g) -33.05 -36.18 -3.13 H2
H2O(g) -1.09 -0.00 1.09 H2O
H2S(g) -108.60 -116.56 -7.96 H2S
O2(g) -11.84 -14.84 -2.99 O2
Sulfur -81.36 -76.85 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 -0.12 -4.60 -4.49 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 = 6.839 Charge balance
pe = 9.566 Adjusted to redox equilibrium
Specific Conductance (uS/cm, 43 oC) = 3073
Density (g/cm3) = 0.99308
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) = 1.261e-09
Total carbon (mol/kg) = 0.000e+00
Total CO2 (mol/kg) = 0.000e+00
Temperature (deg C) = 43.00
Electrical balance (eq) = -1.214e-09
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00
Iterations = 15
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- 2.994e-07 2.451e-07 -6.524 -6.611 -0.087 -3.54
H+ 1.691e-07 1.450e-07 -6.772 -6.839 -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 -17.57
CaSO4 4.986e-03 5.034e-03 -2.302 -2.298 0.004 8.04
CaHSO4+ 7.772e-09 6.424e-09 -8.109 -8.192 -0.083 (0)
CaOH+ 6.978e-09 5.768e-09 -8.156 -8.239 -0.083 (0)
H(0) 1.841e-36
H2 9.203e-37 9.292e-37 -36.036 -36.032 0.004 28.59
O(0) 2.875e-15
O2 1.437e-15 1.451e-15 -14.842 -14.838 0.004 31.57
S(-2) 0.000e+00
HS- 0.000e+00 0.000e+00 -109.151 -109.238 -0.087 21.28
H2S 0.000e+00 0.000e+00 -109.335 -109.331 0.004 37.22
S-2 0.000e+00 0.000e+00 -114.491 -114.812 -0.321 (0)
S(6) 1.539e-02
SO4-2 1.040e-02 4.943e-03 -1.983 -2.306 -0.323 15.99
CaSO4 4.986e-03 5.034e-03 -2.302 -2.298 0.004 8.04
HSO4- 1.282e-07 1.060e-07 -6.892 -6.975 -0.083 41.29
CaHSO4+ 7.772e-09 6.424e-09 -8.109 -8.192 -0.083 (0)
------------------------------Saturation indices-------------------------------
Phase SI log IAP log K(316 K, 1 atm)
Anhydrite -0.12 -4.60 -4.49 CaSO4
Gypsum 0.00 -4.60 -4.60 CaSO4:2H2O
H2(g) -32.90 -36.03 -3.13 H2
H2O(g) -1.07 -0.00 1.07 H2O
H2S(g) -108.12 -116.08 -7.96 H2S
O2(g) -11.84 -14.84 -3.00 O2
Sulfur -81.01 -76.52 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 -0.11 -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 1.538e-02 1.483e-02
S 1.538e-02 1.483e-02
----------------------------Description of solution----------------------------
pH = 6.827 Charge balance
pe = 9.504 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) = 1.261e-09
Total carbon (mol/kg) = 0.000e+00
Total CO2 (mol/kg) = 0.000e+00
Temperature (deg C) = 44.00
Electrical balance (eq) = -1.215e-09
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00
Iterations = 15
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- 3.109e-07 2.544e-07 -6.507 -6.594 -0.087 -3.53
H+ 1.737e-07 1.488e-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 -17.58
CaSO4 4.993e-03 5.041e-03 -2.302 -2.297 0.004 8.06
CaHSO4+ 8.138e-09 6.724e-09 -8.090 -8.172 -0.083 (0)
CaOH+ 6.782e-09 5.604e-09 -8.169 -8.251 -0.083 (0)
H(0) 2.554e-36
H2 1.277e-36 1.289e-36 -35.894 -35.890 0.004 28.59
O(0) 2.886e-15
O2 1.443e-15 1.457e-15 -14.841 -14.837 0.004 31.62
S(-2) 0.000e+00
HS- 0.000e+00 0.000e+00 -108.687 -108.774 -0.087 21.29
H2S 0.000e+00 0.000e+00 -108.869 -108.865 0.004 37.22
S-2 0.000e+00 0.000e+00 -114.012 -114.334 -0.322 (0)
S(6) 1.538e-02
SO4-2 1.039e-02 4.931e-03 -1.984 -2.307 -0.324 16.02
CaSO4 4.993e-03 5.041e-03 -2.302 -2.297 0.004 8.06
HSO4- 1.346e-07 1.112e-07 -6.871 -6.954 -0.083 41.32
CaHSO4+ 8.138e-09 6.724e-09 -8.090 -8.172 -0.083 (0)
------------------------------Saturation indices-------------------------------
Phase SI log IAP log K(317 K, 1 atm)
Anhydrite -0.11 -4.61 -4.50 CaSO4
Gypsum 0.00 -4.61 -4.61 CaSO4:2H2O
H2(g) -32.76 -35.89 -3.13 H2
H2O(g) -1.05 -0.00 1.05 H2O
H2S(g) -107.65 -115.60 -7.96 H2S
O2(g) -11.83 -14.84 -3.00 O2
Sulfur -80.67 -76.20 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 -0.10 -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 1.537e-02 1.482e-02
S 1.537e-02 1.482e-02
----------------------------Description of solution----------------------------
pH = 6.816 Charge balance
pe = 9.442 Adjusted to redox equilibrium
Specific Conductance (uS/cm, 45 oC) = 3171
Density (g/cm3) = 0.99225
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) = 1.261e-09
Total carbon (mol/kg) = 0.000e+00
Total CO2 (mol/kg) = 0.000e+00
Temperature (deg C) = 45.00
Electrical balance (eq) = -1.216e-09
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00
Iterations = 15
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- 3.227e-07 2.640e-07 -6.491 -6.578 -0.087 -3.53
H+ 1.782e-07 1.527e-07 -6.749 -6.816 -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 -17.58
CaSO4 4.999e-03 5.047e-03 -2.301 -2.297 0.004 8.08
CaHSO4+ 8.517e-09 7.036e-09 -8.070 -8.153 -0.083 (0)
CaOH+ 6.593e-09 5.446e-09 -8.181 -8.264 -0.083 (0)
H(0) 3.547e-36
H2 1.773e-36 1.790e-36 -35.751 -35.747 0.004 28.59
O(0) 2.880e-15
O2 1.440e-15 1.454e-15 -14.842 -14.837 0.004 31.67
S(-2) 0.000e+00
HS- 0.000e+00 0.000e+00 -108.222 -108.309 -0.087 21.30
H2S 0.000e+00 0.000e+00 -108.401 -108.397 0.004 37.23
S-2 0.000e+00 0.000e+00 -113.531 -113.853 -0.322 (0)
S(6) 1.537e-02
SO4-2 1.037e-02 4.918e-03 -1.984 -2.308 -0.324 16.05
CaSO4 4.999e-03 5.047e-03 -2.301 -2.297 0.004 8.08
HSO4- 1.413e-07 1.167e-07 -6.850 -6.933 -0.083 41.35
CaHSO4+ 8.517e-09 7.036e-09 -8.070 -8.153 -0.083 (0)
------------------------------Saturation indices-------------------------------
Phase SI log IAP log K(318 K, 1 atm)
Anhydrite -0.10 -4.61 -4.51 CaSO4
Gypsum 0.00 -4.61 -4.61 CaSO4:2H2O
H2(g) -32.61 -35.75 -3.13 H2
H2O(g) -1.03 -0.00 1.03 H2O
H2S(g) -107.17 -115.12 -7.95 H2S
O2(g) -11.83 -14.84 -3.01 O2
Sulfur -80.33 -75.88 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 -0.09 -4.61 -4.53 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 = 6.805 Charge balance
pe = 9.380 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) = 1.261e-09
Total carbon (mol/kg) = 0.000e+00
Total CO2 (mol/kg) = 0.000e+00
Temperature (deg C) = 46.00
Electrical balance (eq) = -1.216e-09
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00
Iterations = 15
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- 3.348e-07 2.739e-07 -6.475 -6.562 -0.087 -3.53
H+ 1.829e-07 1.567e-07 -6.738 -6.805 -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 -17.58
CaSO4 5.004e-03 5.052e-03 -2.301 -2.297 0.004 8.11
CaHSO4+ 8.910e-09 7.359e-09 -8.050 -8.133 -0.083 (0)
CaOH+ 6.410e-09 5.294e-09 -8.193 -8.276 -0.083 (0)
H(0) 4.917e-36
H2 2.458e-36 2.482e-36 -35.609 -35.605 0.004 28.59
O(0) 2.872e-15
O2 1.436e-15 1.450e-15 -14.843 -14.839 0.004 31.72
S(-2) 0.000e+00
HS- 0.000e+00 0.000e+00 -107.758 -107.846 -0.087 21.31
H2S 0.000e+00 0.000e+00 -107.936 -107.932 0.004 37.23
S-2 0.000e+00 0.000e+00 -113.053 -113.375 -0.323 (0)
S(6) 1.535e-02
SO4-2 1.035e-02 4.904e-03 -1.985 -2.309 -0.324 16.07
CaSO4 5.004e-03 5.052e-03 -2.301 -2.297 0.004 8.11
HSO4- 1.482e-07 1.224e-07 -6.829 -6.912 -0.083 41.37
CaHSO4+ 8.910e-09 7.359e-09 -8.050 -8.133 -0.083 (0)
------------------------------Saturation indices-------------------------------
Phase SI log IAP log K(319 K, 1 atm)
Anhydrite -0.09 -4.61 -4.53 CaSO4
Gypsum 0.00 -4.61 -4.61 CaSO4:2H2O
H2(g) -32.47 -35.61 -3.13 H2
H2O(g) -1.00 -0.00 1.00 H2O
H2S(g) -106.70 -114.65 -7.95 H2S
O2(g) -11.83 -14.84 -3.01 O2
Sulfur -79.99 -75.56 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 -0.08 -4.61 -4.54 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 = 6.794 Charge balance
pe = 9.318 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) = 1.261e-09
Total carbon (mol/kg) = 0.000e+00
Total CO2 (mol/kg) = 0.000e+00
Temperature (deg C) = 47.00
Electrical balance (eq) = -1.217e-09
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00
Iterations = 18
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- 3.473e-07 2.840e-07 -6.459 -6.547 -0.087 -3.53
H+ 1.876e-07 1.607e-07 -6.727 -6.794 -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 -17.59
CaSO4 5.008e-03 5.056e-03 -2.300 -2.296 0.004 8.13
CaHSO4+ 9.317e-09 7.693e-09 -8.031 -8.114 -0.083 (0)
CaOH+ 6.234e-09 5.148e-09 -8.205 -8.288 -0.083 (0)
H(0) 6.829e-36
H2 3.414e-36 3.447e-36 -35.467 -35.463 0.004 28.59
O(0) 2.842e-15
O2 1.421e-15 1.435e-15 -14.847 -14.843 0.004 31.77
S(-2) 0.000e+00
HS- 0.000e+00 0.000e+00 -107.292 -107.379 -0.087 21.32
H2S 0.000e+00 0.000e+00 -107.466 -107.462 0.004 37.23
S-2 0.000e+00 0.000e+00 -112.571 -112.894 -0.323 (0)
S(6) 1.533e-02
SO4-2 1.032e-02 4.890e-03 -1.986 -2.311 -0.325 16.08
CaSO4 5.008e-03 5.056e-03 -2.300 -2.296 0.004 8.13
HSO4- 1.554e-07 1.283e-07 -6.808 -6.892 -0.083 41.40
CaHSO4+ 9.317e-09 7.693e-09 -8.031 -8.114 -0.083 (0)
------------------------------Saturation indices-------------------------------
Phase SI log IAP log K(320 K, 1 atm)
Anhydrite -0.08 -4.61 -4.54 CaSO4
Gypsum 0.00 -4.61 -4.61 CaSO4:2H2O
H2(g) -32.33 -35.46 -3.13 H2
H2O(g) -0.98 -0.00 0.98 H2O
H2S(g) -106.22 -114.17 -7.95 H2S
O2(g) -11.83 -14.84 -3.02 O2
Sulfur -79.64 -75.24 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 -0.07 -4.62 -4.55 1.000e+00 0 -1.000e+00
Gypsum 0.00 -4.62 -4.62 1.000e+00 1.985e+00 9.852e-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 = 9.258 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) = 1.261e-09
Total carbon (mol/kg) = 0.000e+00
Total CO2 (mol/kg) = 0.000e+00
Temperature (deg C) = 48.00
Electrical balance (eq) = -1.216e-09
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00
Iterations = 17
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- 3.602e-07 2.945e-07 -6.443 -6.531 -0.087 -3.54
H+ 1.923e-07 1.647e-07 -6.716 -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 -17.60
CaSO4 5.010e-03 5.058e-03 -2.300 -2.296 0.004 8.15
CaHSO4+ 9.739e-09 8.040e-09 -8.011 -8.095 -0.083 (0)
CaOH+ 6.064e-09 5.006e-09 -8.217 -8.300 -0.083 (0)
H(0) 9.367e-36
H2 4.683e-36 4.728e-36 -35.329 -35.325 0.004 28.59
O(0) 2.872e-15
O2 1.436e-15 1.450e-15 -14.843 -14.839 0.004 31.83
S(-2) 0.000e+00
HS- 0.000e+00 0.000e+00 -106.846 -106.933 -0.087 21.33
H2S 0.000e+00 0.000e+00 -107.018 -107.014 0.004 37.23
S-2 0.000e+00 0.000e+00 -112.110 -112.433 -0.323 (0)
S(6) 1.531e-02
SO4-2 1.030e-02 4.875e-03 -1.987 -2.312 -0.325 16.10
CaSO4 5.010e-03 5.058e-03 -2.300 -2.296 0.004 8.15
HSO4- 1.630e-07 1.345e-07 -6.788 -6.871 -0.083 41.42
CaHSO4+ 9.739e-09 8.040e-09 -8.011 -8.095 -0.083 (0)
------------------------------Saturation indices-------------------------------
Phase SI log IAP log K(321 K, 1 atm)
Anhydrite -0.07 -4.62 -4.55 CaSO4
Gypsum 0.00 -4.62 -4.62 CaSO4:2H2O
H2(g) -32.19 -35.33 -3.14 H2
H2O(g) -0.96 -0.00 0.96 H2O
H2S(g) -105.77 -113.72 -7.95 H2S
O2(g) -11.82 -14.84 -3.02 O2
Sulfur -79.31 -74.93 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 -0.06 -4.62 -4.56 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 = 6.773 Charge balance
pe = 9.227 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) = 1.261e-09
Total carbon (mol/kg) = 0.000e+00
Total CO2 (mol/kg) = 0.000e+00
Temperature (deg C) = 49.00
Electrical balance (eq) = -1.217e-09
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00
Iterations = 18
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- 3.734e-07 3.053e-07 -6.428 -6.515 -0.088 -3.54
H+ 1.971e-07 1.688e-07 -6.705 -6.773 -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 -17.60
CaSO4 5.012e-03 5.059e-03 -2.300 -2.296 0.004 8.17
CaHSO4+ 1.018e-08 8.399e-09 -7.992 -8.076 -0.083 (0)
CaOH+ 5.900e-09 4.870e-09 -8.229 -8.312 -0.083 (0)
H(0) 1.126e-35
H2 5.628e-36 5.682e-36 -35.250 -35.246 0.004 28.59
O(0) 3.766e-15
O2 1.883e-15 1.901e-15 -14.725 -14.721 0.004 31.88
S(-2) 0.000e+00
HS- 0.000e+00 0.000e+00 -106.630 -106.717 -0.088 21.33
H2S 0.000e+00 0.000e+00 -106.799 -106.795 0.004 37.23
S-2 0.000e+00 0.000e+00 -111.878 -112.202 -0.324 (0)
S(6) 1.529e-02
SO4-2 1.028e-02 4.860e-03 -1.988 -2.313 -0.325 16.11
CaSO4 5.012e-03 5.059e-03 -2.300 -2.296 0.004 8.17
HSO4- 1.708e-07 1.410e-07 -6.768 -6.851 -0.083 41.44
CaHSO4+ 1.018e-08 8.399e-09 -7.992 -8.076 -0.083 (0)
------------------------------Saturation indices-------------------------------
Phase SI log IAP log K(322 K, 1 atm)
Anhydrite -0.06 -4.62 -4.56 CaSO4
Gypsum 0.00 -4.62 -4.62 CaSO4:2H2O
H2(g) -32.11 -35.25 -3.14 H2
H2O(g) -0.94 -0.00 0.94 H2O
H2S(g) -105.54 -113.49 -7.95 H2S
O2(g) -11.70 -14.72 -3.03 O2
Sulfur -79.16 -74.80 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 -0.05 -4.62 -4.58 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 = 6.762 Charge balance
pe = 9.136 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) = 1.261e-09
Total carbon (mol/kg) = 0.000e+00
Total CO2 (mol/kg) = 0.000e+00
Temperature (deg C) = 50.00
Electrical balance (eq) = -1.217e-09
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00
Iterations = 18
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- 3.871e-07 3.164e-07 -6.412 -6.500 -0.088 -3.55
H+ 2.020e-07 1.729e-07 -6.695 -6.762 -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 -17.61
CaSO4 5.012e-03 5.059e-03 -2.300 -2.296 0.004 8.19
CaHSO4+ 1.063e-08 8.770e-09 -7.974 -8.057 -0.083 (0)
CaOH+ 5.742e-09 4.738e-09 -8.241 -8.324 -0.083 (0)
H(0) 1.779e-35
H2 8.896e-36 8.981e-36 -35.051 -35.047 0.004 28.59
O(0) 2.844e-15
O2 1.422e-15 1.435e-15 -14.847 -14.843 0.004 31.92
S(-2) 0.000e+00
HS- 0.000e+00 0.000e+00 -105.937 -106.024 -0.088 21.34
H2S 0.000e+00 0.000e+00 -106.103 -106.099 0.004 37.24
S-2 0.000e+00 0.000e+00 -111.170 -111.494 -0.324 (0)
S(6) 1.526e-02
SO4-2 1.025e-02 4.845e-03 -1.989 -2.315 -0.326 16.12
CaSO4 5.012e-03 5.059e-03 -2.300 -2.296 0.004 8.19
HSO4- 1.790e-07 1.477e-07 -6.747 -6.831 -0.083 41.46
CaHSO4+ 1.063e-08 8.770e-09 -7.974 -8.057 -0.083 (0)
------------------------------Saturation indices-------------------------------
Phase SI log IAP log K(323 K, 1 atm)
Anhydrite -0.05 -4.62 -4.58 CaSO4
Gypsum 0.00 -4.62 -4.62 CaSO4:2H2O
H2(g) -31.91 -35.05 -3.14 H2
H2O(g) -0.92 -0.00 0.92 H2O
H2S(g) -104.84 -112.79 -7.95 H2S
O2(g) -11.81 -14.84 -3.03 O2
Sulfur -78.65 -74.30 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 -0.04 -4.62 -4.59 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 = 6.752 Charge balance
pe = 9.076 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) = 1.261e-09
Total carbon (mol/kg) = 0.000e+00
Total CO2 (mol/kg) = 0.000e+00
Temperature (deg C) = 51.00
Electrical balance (eq) = -1.217e-09
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00
Iterations = 18
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- 4.011e-07 3.278e-07 -6.397 -6.484 -0.088 -3.56
H+ 2.069e-07 1.771e-07 -6.684 -6.752 -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 -17.62
CaSO4 5.010e-03 5.058e-03 -2.300 -2.296 0.004 8.21
CaHSO4+ 1.110e-08 9.154e-09 -7.955 -8.038 -0.084 (0)
CaOH+ 5.589e-09 4.611e-09 -8.253 -8.336 -0.084 (0)
H(0) 2.440e-35
H2 1.220e-35 1.232e-35 -34.914 -34.910 0.004 28.59
O(0) 2.841e-15
O2 1.420e-15 1.434e-15 -14.848 -14.844 0.004 31.97
S(-2) 0.000e+00
HS- 0.000e+00 0.000e+00 -105.490 -105.577 -0.088 21.34
H2S 0.000e+00 0.000e+00 -105.653 -105.649 0.004 37.24
S-2 0.000e+00 0.000e+00 -110.708 -111.032 -0.324 (0)
S(6) 1.524e-02
SO4-2 1.023e-02 4.829e-03 -1.990 -2.316 -0.326 16.12
CaSO4 5.010e-03 5.058e-03 -2.300 -2.296 0.004 8.21
HSO4- 1.875e-07 1.547e-07 -6.727 -6.811 -0.084 41.48
CaHSO4+ 1.110e-08 9.154e-09 -7.955 -8.038 -0.084 (0)
------------------------------Saturation indices-------------------------------
Phase SI log IAP log K(324 K, 1 atm)
Anhydrite -0.04 -4.62 -4.59 CaSO4
Gypsum 0.00 -4.62 -4.62 CaSO4:2H2O
H2(g) -31.77 -34.91 -3.14 H2
H2O(g) -0.89 -0.00 0.89 H2O
H2S(g) -104.38 -112.33 -7.95 H2S
O2(g) -11.81 -14.84 -3.03 O2
Sulfur -78.32 -73.99 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 -0.03 -4.63 -4.60 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 = 6.742 Charge balance
pe = 9.017 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) = 1.261e-09
Total carbon (mol/kg) = 0.000e+00
Total CO2 (mol/kg) = 0.000e+00
Temperature (deg C) = 52.00
Electrical balance (eq) = -1.217e-09
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00
Iterations = 18
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- 4.155e-07 3.395e-07 -6.381 -6.469 -0.088 -3.57
H+ 2.118e-07 1.813e-07 -6.674 -6.742 -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 -17.63
CaSO4 5.008e-03 5.055e-03 -2.300 -2.296 0.004 8.23
CaHSO4+ 1.158e-08 9.550e-09 -7.936 -8.020 -0.084 (0)
CaOH+ 5.441e-09 4.488e-09 -8.264 -8.348 -0.084 (0)
H(0) 3.339e-35
H2 1.669e-35 1.685e-35 -34.777 -34.773 0.004 28.59
O(0) 2.840e-15
O2 1.420e-15 1.433e-15 -14.848 -14.844 0.004 32.02
S(-2) 0.000e+00
HS- 0.000e+00 0.000e+00 -105.046 -105.134 -0.088 21.34
H2S 0.000e+00 0.000e+00 -105.207 -105.203 0.004 37.24
S-2 0.000e+00 0.000e+00 -110.250 -110.574 -0.325 (0)
S(6) 1.521e-02
SO4-2 1.020e-02 4.812e-03 -1.991 -2.318 -0.326 16.12
CaSO4 5.008e-03 5.055e-03 -2.300 -2.296 0.004 8.23
HSO4- 1.963e-07 1.619e-07 -6.707 -6.791 -0.084 41.50
CaHSO4+ 1.158e-08 9.550e-09 -7.936 -8.020 -0.084 (0)
------------------------------Saturation indices-------------------------------
Phase SI log IAP log K(325 K, 1 atm)
Anhydrite -0.03 -4.63 -4.60 CaSO4
Gypsum 0.00 -4.63 -4.63 CaSO4:2H2O
H2(g) -31.64 -34.77 -3.14 H2
H2O(g) -0.87 -0.00 0.87 H2O
H2S(g) -103.93 -111.88 -7.94 H2S
O2(g) -11.81 -14.84 -3.04 O2
Sulfur -77.99 -73.69 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 -0.02 -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 1.517e-02 1.464e-02
S 1.517e-02 1.464e-02
----------------------------Description of solution----------------------------
pH = 6.731 Charge balance
pe = 8.959 Adjusted to redox equilibrium
Specific Conductance (uS/cm, 53 oC) = 3554
Density (g/cm3) = 0.98866
Volume (L) = 0.97852
Activity of water = 1.000
Ionic strength = 4.068e-02
Mass of water (kg) = 9.645e-01
Total alkalinity (eq/kg) = 1.261e-09
Total carbon (mol/kg) = 0.000e+00
Total CO2 (mol/kg) = 0.000e+00
Temperature (deg C) = 53.00
Electrical balance (eq) = -1.217e-09
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00
Iterations = 19
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- 4.304e-07 3.516e-07 -6.366 -6.454 -0.088 -3.58
H+ 2.168e-07 1.856e-07 -6.664 -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 -17.64
CaSO4 5.005e-03 5.052e-03 -2.301 -2.297 0.004 8.25
CaHSO4+ 1.208e-08 9.960e-09 -7.918 -8.002 -0.084 (0)
CaOH+ 5.299e-09 4.370e-09 -8.276 -8.360 -0.084 (0)
H(0) 4.523e-35
H2 2.261e-35 2.283e-35 -34.646 -34.642 0.004 28.59
O(0) 2.886e-15
O2 1.443e-15 1.456e-15 -14.841 -14.837 0.004 32.07
S(-2) 0.000e+00
HS- 0.000e+00 0.000e+00 -104.620 -104.708 -0.088 21.34
H2S 0.000e+00 0.000e+00 -104.778 -104.774 0.004 37.24
S-2 0.000e+00 0.000e+00 -109.808 -110.133 -0.325 (0)
S(6) 1.517e-02
SO4-2 1.017e-02 4.796e-03 -1.993 -2.319 -0.326 16.12
CaSO4 5.005e-03 5.052e-03 -2.301 -2.297 0.004 8.25
HSO4- 2.055e-07 1.695e-07 -6.687 -6.771 -0.084 41.51
CaHSO4+ 1.208e-08 9.960e-09 -7.918 -8.002 -0.084 (0)
------------------------------Saturation indices-------------------------------
Phase SI log IAP log K(326 K, 1 atm)
Anhydrite -0.02 -4.63 -4.61 CaSO4
Gypsum 0.00 -4.63 -4.63 CaSO4:2H2O
H2(g) -31.50 -34.64 -3.14 H2
H2O(g) -0.85 -0.00 0.85 H2O
H2S(g) -103.50 -111.44 -7.94 H2S
O2(g) -11.80 -14.84 -3.04 O2
Sulfur -77.68 -73.39 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 -0.01 -4.63 -4.63 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 = 6.722 Charge balance
pe = -1.621 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) = 1.261e-09
Total carbon (mol/kg) = 0.000e+00
Total CO2 (mol/kg) = 0.000e+00
Temperature (deg C) = 54.00
Electrical balance (eq) = -1.217e-09
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00
Iterations = 43
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- 4.456e-07 3.640e-07 -6.351 -6.439 -0.088 -3.59
H+ 2.219e-07 1.899e-07 -6.654 -6.722 -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 -17.65
CaSO4 5.000e-03 5.047e-03 -2.301 -2.297 0.004 8.27
CaHSO4+ 1.259e-08 1.038e-08 -7.900 -7.984 -0.084 (0)
CaOH+ 5.161e-09 4.256e-09 -8.287 -8.371 -0.084 (0)
H(0) 6.798e-14
H2 3.399e-14 3.431e-14 -13.469 -13.465 0.004 28.59
O(0) 0.000e+00
O2 0.000e+00 0.000e+00 -56.926 -56.922 0.004 32.11
S(-2) 1.652e-20
HS- 9.718e-21 7.937e-21 -20.012 -20.100 -0.088 21.34
H2S 6.805e-21 6.868e-21 -20.167 -20.163 0.004 37.24
S-2 6.523e-26 3.086e-26 -25.186 -25.511 -0.325 (0)
S(6) 1.514e-02
SO4-2 1.014e-02 4.779e-03 -1.994 -2.321 -0.327 16.11
CaSO4 5.000e-03 5.047e-03 -2.301 -2.297 0.004 8.27
HSO4- 2.150e-07 1.773e-07 -6.667 -6.751 -0.084 41.53
CaHSO4+ 1.259e-08 1.038e-08 -7.900 -7.984 -0.084 (0)
------------------------------Saturation indices-------------------------------
Phase SI log IAP log K(327 K, 1 atm)
Anhydrite -0.01 -4.63 -4.63 CaSO4
Gypsum 0.00 -4.63 -4.63 CaSO4:2H2O
H2(g) -10.33 -13.46 -3.14 H2
H2O(g) -0.83 -0.00 0.83 H2O
H2S(g) -18.88 -26.82 -7.94 H2S
O2(g) -53.88 -56.92 -3.05 O2
Sulfur -14.23 -9.96 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 0.00 -4.64 -4.64 1.000e+00 1.984e+00 9.845e-01
Gypsum -0.00 -4.64 -4.64 1.000e+00 0 -1.000e+00
-----------------------------Solution composition------------------------------
Elements Molality Moles
Ca 1.500e-02 1.554e-02
S 1.500e-02 1.554e-02
----------------------------Description of solution----------------------------
pH = 6.711 Charge balance
pe = 8.790 Adjusted to redox equilibrium
Specific Conductance (uS/cm, 55 oC) = 3627
Density (g/cm3) = 0.98768
Volume (L) = 1.05211
Activity of water = 1.000
Ionic strength = 4.020e-02
Mass of water (kg) = 1.036e+00
Total alkalinity (eq/kg) = 1.174e-09
Total carbon (mol/kg) = 0.000e+00
Total CO2 (mol/kg) = 0.000e+00
Temperature (deg C) = 55.00
Electrical balance (eq) = -1.217e-09
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00
Iterations = 18
Total H = 1.150124e+02
Total O = 5.756840e+01
----------------------------Distribution of species----------------------------
Log Log Log mole V
Species Molality Activity Molality Activity Gamma cm3/mol
OH- 4.606e-07 3.763e-07 -6.337 -6.424 -0.088 -3.60
H+ 2.272e-07 1.944e-07 -6.644 -6.711 -0.068 0.00
H2O 5.551e+01 9.996e-01 1.744 -0.000 0.000 18.28
Ca 1.500e-02
Ca+2 1.005e-02 4.833e-03 -1.998 -2.316 -0.318 -17.67
CaSO4 4.953e-03 4.999e-03 -2.305 -2.301 0.004 8.29
CaHSO4+ 1.303e-08 1.074e-08 -7.885 -7.969 -0.084 (0)
CaOH+ 5.000e-09 4.123e-09 -8.301 -8.385 -0.084 (0)
H(0) 1.063e-34
H2 5.316e-35 5.366e-35 -34.274 -34.270 0.004 28.58
O(0) 1.795e-15
O2 8.974e-16 9.058e-16 -15.047 -15.043 0.004 32.16
S(-2) 0.000e+00
HS- 0.000e+00 0.000e+00 -103.337 -103.425 -0.088 21.34
H2S 0.000e+00 0.000e+00 -103.488 -103.484 0.004 37.25
S-2 0.000e+00 0.000e+00 -108.496 -108.821 -0.325 (0)
S(6) 1.500e-02
SO4-2 1.005e-02 4.742e-03 -1.998 -2.324 -0.326 16.10
CaSO4 4.953e-03 4.999e-03 -2.305 -2.301 0.004 8.29
HSO4- 2.242e-07 1.849e-07 -6.649 -6.733 -0.084 41.54
CaHSO4+ 1.303e-08 1.074e-08 -7.885 -7.969 -0.084 (0)
------------------------------Saturation indices-------------------------------
Phase SI log IAP log K(328 K, 1 atm)
Anhydrite 0.00 -4.64 -4.64 CaSO4
Gypsum -0.00 -4.64 -4.64 CaSO4:2H2O
H2(g) -31.13 -34.27 -3.14 H2
H2O(g) -0.81 -0.00 0.81 H2O
H2S(g) -102.19 -110.14 -7.94 H2S
O2(g) -11.99 -15.04 -3.05 O2
Sulfur -76.73 -72.48 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 0.00 -4.65 -4.65 1.000e+00 1.985e+00 9.848e-01
Gypsum -0.01 -4.65 -4.64 1.000e+00 0 -1.000e+00
-----------------------------Solution composition------------------------------
Elements Molality Moles
Ca 1.470e-02 1.523e-02
S 1.470e-02 1.523e-02
----------------------------Description of solution----------------------------
pH = 6.700 Charge balance
pe = 8.794 Adjusted to redox equilibrium
Specific Conductance (uS/cm, 56 oC) = 3623
Density (g/cm3) = 0.98715
Volume (L) = 1.05261
Activity of water = 1.000
Ionic strength = 3.946e-02
Mass of water (kg) = 1.036e+00
Total alkalinity (eq/kg) = 1.174e-09
Total carbon (mol/kg) = 0.000e+00
Total CO2 (mol/kg) = 0.000e+00
Temperature (deg C) = 56.00
Electrical balance (eq) = -1.236e-09
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00
Iterations = 13
Total H = 1.150124e+02
Total O = 5.756715e+01
----------------------------Distribution of species----------------------------
Log Log Log mole V
Species Molality Activity Molality Activity Gamma cm3/mol
OH- 4.748e-07 3.883e-07 -6.324 -6.411 -0.087 -3.62
H+ 2.328e-07 1.993e-07 -6.633 -6.700 -0.067 0.00
H2O 5.551e+01 9.996e-01 1.744 -0.000 0.000 18.29
Ca 1.470e-02
Ca+2 9.866e-03 4.760e-03 -2.006 -2.322 -0.317 -17.68
CaSO4 4.838e-03 4.882e-03 -2.315 -2.311 0.004 8.31
CaHSO4+ 1.330e-08 1.098e-08 -7.876 -7.960 -0.083 (0)
CaOH+ 4.799e-09 3.961e-09 -8.319 -8.402 -0.083 (0)
H(0) 1.089e-34
H2 5.443e-35 5.492e-35 -34.264 -34.260 0.004 28.58
O(0) 3.158e-15
O2 1.579e-15 1.593e-15 -14.802 -14.798 0.004 32.20
S(-2) 0.000e+00
HS- 0.000e+00 0.000e+00 -103.400 -103.487 -0.087 21.34
H2S 0.000e+00 0.000e+00 -103.546 -103.542 0.004 37.25
S-2 0.000e+00 0.000e+00 -108.546 -108.869 -0.323 (0)
S(6) 1.470e-02
SO4-2 9.866e-03 4.672e-03 -2.006 -2.330 -0.325 16.07
CaSO4 4.838e-03 4.882e-03 -2.315 -2.311 0.004 8.31
HSO4- 2.323e-07 1.918e-07 -6.634 -6.717 -0.083 41.55
CaHSO4+ 1.330e-08 1.098e-08 -7.876 -7.960 -0.083 (0)
------------------------------Saturation indices-------------------------------
Phase SI log IAP log K(329 K, 1 atm)
Anhydrite 0.00 -4.65 -4.65 CaSO4
Gypsum -0.01 -4.65 -4.64 CaSO4:2H2O
H2(g) -31.12 -34.26 -3.14 H2
H2O(g) -0.79 -0.00 0.79 H2O
H2S(g) -102.25 -110.19 -7.94 H2S
O2(g) -11.75 -14.80 -3.05 O2
Sulfur -76.78 -72.55 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 -4.67 -4.67 1.000e+00 1.985e+00 9.851e-01
Gypsum -0.02 -4.67 -4.64 1.000e+00 0 -1.000e+00
-----------------------------Solution composition------------------------------
Elements Molality Moles
Ca 1.441e-02 1.493e-02
S 1.441e-02 1.493e-02
----------------------------Description of solution----------------------------
pH = 6.690 Charge balance
pe = 8.719 Adjusted to redox equilibrium
Specific Conductance (uS/cm, 57 oC) = 3618
Density (g/cm3) = 0.98662
Volume (L) = 1.05312
Activity of water = 1.000
Ionic strength = 3.874e-02
Mass of water (kg) = 1.036e+00
Total alkalinity (eq/kg) = 1.174e-09
Total carbon (mol/kg) = 0.000e+00
Total CO2 (mol/kg) = 0.000e+00
Temperature (deg C) = 57.00
Electrical balance (eq) = -1.234e-09
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00
Iterations = 13
Total H = 1.150124e+02
Total O = 5.756593e+01
----------------------------Distribution of species----------------------------
Log Log Log mole V
Species Molality Activity Molality Activity Gamma cm3/mol
OH- 4.893e-07 4.006e-07 -6.310 -6.397 -0.087 -3.64
H+ 2.385e-07 2.043e-07 -6.623 -6.690 -0.067 0.00
H2O 5.551e+01 9.996e-01 1.744 -0.000 0.000 18.30
Ca 1.441e-02
Ca+2 9.684e-03 4.689e-03 -2.014 -2.329 -0.315 -17.70
CaSO4 4.725e-03 4.767e-03 -2.326 -2.322 0.004 8.32
CaHSO4+ 1.357e-08 1.121e-08 -7.868 -7.950 -0.083 (0)
CaOH+ 4.607e-09 3.806e-09 -8.337 -8.419 -0.083 (0)
H(0) 1.603e-34
H2 8.013e-35 8.085e-35 -34.096 -34.092 0.004 28.58
O(0) 2.677e-15
O2 1.339e-15 1.351e-15 -14.873 -14.869 0.004 32.25
S(-2) 0.000e+00
HS- 0.000e+00 0.000e+00 -102.831 -102.918 -0.087 21.33
H2S 0.000e+00 0.000e+00 -102.972 -102.968 0.004 37.25
S-2 0.000e+00 0.000e+00 -107.965 -108.287 -0.321 (0)
S(6) 1.441e-02
SO4-2 9.684e-03 4.603e-03 -2.014 -2.337 -0.323 16.05
CaSO4 4.725e-03 4.767e-03 -2.326 -2.322 0.004 8.32
HSO4- 2.407e-07 1.989e-07 -6.619 -6.701 -0.083 41.56
CaHSO4+ 1.357e-08 1.121e-08 -7.868 -7.950 -0.083 (0)
------------------------------Saturation indices-------------------------------
Phase SI log IAP log K(330 K, 1 atm)
Anhydrite 0.00 -4.67 -4.67 CaSO4
Gypsum -0.02 -4.67 -4.64 CaSO4:2H2O
H2(g) -30.95 -34.09 -3.14 H2
H2O(g) -0.77 -0.00 0.77 H2O
H2S(g) -101.67 -109.61 -7.94 H2S
O2(g) -11.81 -14.87 -3.06 O2
Sulfur -76.36 -72.15 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 -4.68 -4.68 1.000e+00 1.985e+00 9.854e-01
Gypsum -0.03 -4.68 -4.65 1.000e+00 0 -1.000e+00
-----------------------------Solution composition------------------------------
Elements Molality Moles
Ca 1.412e-02 1.463e-02
S 1.412e-02 1.463e-02
----------------------------Description of solution----------------------------
pH = 6.679 Charge balance
pe = 8.662 Adjusted to redox equilibrium
Specific Conductance (uS/cm, 58 oC) = 3612
Density (g/cm3) = 0.98608
Volume (L) = 1.05363
Activity of water = 1.000
Ionic strength = 3.802e-02
Mass of water (kg) = 1.036e+00
Total alkalinity (eq/kg) = 1.174e-09
Total carbon (mol/kg) = 0.000e+00
Total CO2 (mol/kg) = 0.000e+00
Temperature (deg C) = 58.00
Electrical balance (eq) = -1.232e-09
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00
Iterations = 13
Total H = 1.150124e+02
Total O = 5.756472e+01
----------------------------Distribution of species----------------------------
Log Log Log mole V
Species Molality Activity Molality Activity Gamma cm3/mol
OH- 5.041e-07 4.132e-07 -6.298 -6.384 -0.086 -3.66
H+ 2.442e-07 2.094e-07 -6.612 -6.679 -0.067 0.00
H2O 5.551e+01 9.996e-01 1.744 -0.000 0.000 18.31
Ca 1.412e-02
Ca+2 9.505e-03 4.618e-03 -2.022 -2.336 -0.314 -17.72
CaSO4 4.613e-03 4.654e-03 -2.336 -2.332 0.004 8.34
CaHSO4+ 1.384e-08 1.144e-08 -7.859 -7.941 -0.082 (0)
CaOH+ 4.424e-09 3.658e-09 -8.354 -8.437 -0.082 (0)
H(0) 2.169e-34
H2 1.085e-34 1.094e-34 -33.965 -33.961 0.004 28.58
O(0) 2.675e-15
O2 1.337e-15 1.349e-15 -14.874 -14.870 0.004 32.29
S(-2) 0.000e+00
HS- 0.000e+00 0.000e+00 -102.408 -102.494 -0.086 21.32
H2S 0.000e+00 0.000e+00 -102.544 -102.540 0.004 37.25
S-2 0.000e+00 0.000e+00 -107.530 -107.849 -0.320 (0)
S(6) 1.412e-02
SO4-2 9.504e-03 4.535e-03 -2.022 -2.343 -0.321 16.02
CaSO4 4.613e-03 4.654e-03 -2.336 -2.332 0.004 8.34
HSO4- 2.493e-07 2.061e-07 -6.603 -6.686 -0.082 41.57
CaHSO4+ 1.384e-08 1.144e-08 -7.859 -7.941 -0.082 (0)
------------------------------Saturation indices-------------------------------
Phase SI log IAP log K(331 K, 1 atm)
Anhydrite 0.00 -4.68 -4.68 CaSO4
Gypsum -0.03 -4.68 -4.65 CaSO4:2H2O
H2(g) -30.82 -33.96 -3.14 H2
H2O(g) -0.75 -0.00 0.75 H2O
H2S(g) -101.23 -109.17 -7.94 H2S
O2(g) -11.81 -14.87 -3.06 O2
Sulfur -76.05 -71.86 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 -4.69 -4.69 1.000e+00 1.986e+00 9.857e-01
Gypsum -0.04 -4.69 -4.65 1.000e+00 0 -1.000e+00
-----------------------------Solution composition------------------------------
Elements Molality Moles
Ca 1.383e-02 1.433e-02
S 1.383e-02 1.433e-02
----------------------------Description of solution----------------------------
pH = 6.669 Charge balance
pe = 8.606 Adjusted to redox equilibrium
Specific Conductance (uS/cm, 59 oC) = 3605
Density (g/cm3) = 0.98553
Volume (L) = 1.05415
Activity of water = 1.000
Ionic strength = 3.731e-02
Mass of water (kg) = 1.036e+00
Total alkalinity (eq/kg) = 1.174e-09
Total carbon (mol/kg) = 0.000e+00
Total CO2 (mol/kg) = 0.000e+00
Temperature (deg C) = 59.00
Electrical balance (eq) = -1.230e-09
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00
Iterations = 13
Total H = 1.150124e+02
Total O = 5.756354e+01
----------------------------Distribution of species----------------------------
Log Log Log mole V
Species Molality Activity Molality Activity Gamma cm3/mol
OH- 5.192e-07 4.261e-07 -6.285 -6.370 -0.086 -3.68
H+ 2.500e-07 2.145e-07 -6.602 -6.669 -0.067 0.00
H2O 5.551e+01 9.996e-01 1.744 -0.000 0.000 18.31
Ca 1.383e-02
Ca+2 9.328e-03 4.548e-03 -2.030 -2.342 -0.312 -17.74
CaSO4 4.504e-03 4.543e-03 -2.346 -2.343 0.004 8.36
CaHSO4+ 1.411e-08 1.168e-08 -7.850 -7.932 -0.082 (0)
CaOH+ 4.249e-09 3.517e-09 -8.372 -8.454 -0.082 (0)
H(0) 2.930e-34
H2 1.465e-34 1.478e-34 -33.834 -33.830 0.004 28.58
O(0) 2.675e-15
O2 1.337e-15 1.349e-15 -14.874 -14.870 0.004 32.34
S(-2) 0.000e+00
HS- 0.000e+00 0.000e+00 -101.988 -102.074 -0.086 21.31
H2S 0.000e+00 0.000e+00 -102.119 -102.115 0.004 37.25
S-2 0.000e+00 0.000e+00 -107.097 -107.415 -0.318 (0)
S(6) 1.383e-02
SO4-2 9.328e-03 4.468e-03 -2.030 -2.350 -0.320 15.99
CaSO4 4.504e-03 4.543e-03 -2.346 -2.343 0.004 8.36
HSO4- 2.581e-07 2.137e-07 -6.588 -6.670 -0.082 41.58
CaHSO4+ 1.411e-08 1.168e-08 -7.850 -7.932 -0.082 (0)
------------------------------Saturation indices-------------------------------
Phase SI log IAP log K(332 K, 1 atm)
Anhydrite 0.00 -4.69 -4.69 CaSO4
Gypsum -0.04 -4.69 -4.65 CaSO4:2H2O
H2(g) -30.69 -33.83 -3.14 H2
H2O(g) -0.73 -0.00 0.73 H2O
H2S(g) -100.80 -108.74 -7.94 H2S
O2(g) -11.81 -14.87 -3.06 O2
Sulfur -75.74 -71.57 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 -4.71 -4.71 1.000e+00 1.986e+00 9.860e-01
Gypsum -0.05 -4.71 -4.65 1.000e+00 0 -1.000e+00
-----------------------------Solution composition------------------------------
Elements Molality Moles
Ca 1.355e-02 1.404e-02
S 1.355e-02 1.404e-02
----------------------------Description of solution----------------------------
pH = 6.658 Charge balance
pe = 8.550 Adjusted to redox equilibrium
Specific Conductance (uS/cm, 60 oC) = 3597
Density (g/cm3) = 0.98498
Volume (L) = 1.05468
Activity of water = 1.000
Ionic strength = 3.662e-02
Mass of water (kg) = 1.036e+00
Total alkalinity (eq/kg) = 1.174e-09
Total carbon (mol/kg) = 0.000e+00
Total CO2 (mol/kg) = 0.000e+00
Temperature (deg C) = 60.00
Electrical balance (eq) = -1.228e-09
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00
Iterations = 13
Total H = 1.150124e+02
Total O = 5.756238e+01
----------------------------Distribution of species----------------------------
Log Log Log mole V
Species Molality Activity Molality Activity Gamma cm3/mol
OH- 5.346e-07 4.392e-07 -6.272 -6.357 -0.085 -3.70
H+ 2.559e-07 2.197e-07 -6.592 -6.658 -0.066 0.00
H2O 5.551e+01 9.996e-01 1.744 -0.000 0.000 18.32
Ca 1.355e-02
Ca+2 9.155e-03 4.478e-03 -2.038 -2.349 -0.311 -17.76
CaSO4 4.397e-03 4.434e-03 -2.357 -2.353 0.004 8.37
CaHSO4+ 1.439e-08 1.192e-08 -7.842 -7.924 -0.082 (0)
CaOH+ 4.081e-09 3.382e-09 -8.389 -8.471 -0.082 (0)
H(0) 3.942e-34
H2 1.971e-34 1.988e-34 -33.705 -33.702 0.004 28.58
O(0) 2.685e-15
O2 1.343e-15 1.354e-15 -14.872 -14.868 0.004 32.38
S(-2) 0.000e+00
HS- 0.000e+00 0.000e+00 -101.574 -101.660 -0.085 21.30
H2S 0.000e+00 0.000e+00 -101.700 -101.696 0.004 37.26
S-2 0.000e+00 0.000e+00 -106.671 -106.988 -0.317 (0)
S(6) 1.355e-02
SO4-2 9.154e-03 4.402e-03 -2.038 -2.356 -0.318 15.95
CaSO4 4.397e-03 4.434e-03 -2.357 -2.353 0.004 8.37
HSO4- 2.672e-07 2.214e-07 -6.573 -6.655 -0.082 41.58
CaHSO4+ 1.439e-08 1.192e-08 -7.842 -7.924 -0.082 (0)
------------------------------Saturation indices-------------------------------
Phase SI log IAP log K(333 K, 1 atm)
Anhydrite 0.00 -4.71 -4.71 CaSO4
Gypsum -0.05 -4.71 -4.65 CaSO4:2H2O
H2(g) -30.56 -33.70 -3.14 H2
H2O(g) -0.71 -0.00 0.71 H2O
H2S(g) -100.38 -108.32 -7.94 H2S
O2(g) -11.80 -14.87 -3.06 O2
Sulfur -75.43 -71.28 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 -4.72 -4.72 1.000e+00 1.986e+00 9.862e-01
Gypsum -0.06 -4.72 -4.66 1.000e+00 0 -1.000e+00
-----------------------------Solution composition------------------------------
Elements Molality Moles
Ca 1.328e-02 1.375e-02
S 1.328e-02 1.375e-02
----------------------------Description of solution----------------------------
pH = 6.648 Charge balance
pe = 8.494 Adjusted to redox equilibrium
Specific Conductance (uS/cm, 61 oC) = 3589
Density (g/cm3) = 0.98443
Volume (L) = 1.05521
Activity of water = 1.000
Ionic strength = 3.594e-02
Mass of water (kg) = 1.036e+00
Total alkalinity (eq/kg) = 1.174e-09
Total carbon (mol/kg) = 0.000e+00
Total CO2 (mol/kg) = 0.000e+00
Temperature (deg C) = 61.00
Electrical balance (eq) = -1.226e-09
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00
Iterations = 13
Total H = 1.150124e+02
Total O = 5.756123e+01
----------------------------Distribution of species----------------------------
Log Log Log mole V
Species Molality Activity Molality Activity Gamma cm3/mol
OH- 5.504e-07 4.527e-07 -6.259 -6.344 -0.085 -3.73
H+ 2.619e-07 2.250e-07 -6.582 -6.648 -0.066 0.00
H2O 5.551e+01 9.996e-01 1.744 -0.000 0.000 18.33
Ca 1.328e-02
Ca+2 8.984e-03 4.410e-03 -2.047 -2.356 -0.309 -17.78
CaSO4 4.291e-03 4.327e-03 -2.367 -2.364 0.004 8.39
CaHSO4+ 1.466e-08 1.216e-08 -7.834 -7.915 -0.081 (0)
CaOH+ 3.922e-09 3.252e-09 -8.407 -8.488 -0.081 (0)
H(0) 5.310e-34
H2 2.655e-34 2.677e-34 -33.576 -33.572 0.004 28.58
O(0) 2.681e-15
O2 1.340e-15 1.351e-15 -14.873 -14.869 0.004 32.42
S(-2) 0.000e+00
HS- 0.000e+00 0.000e+00 -101.158 -101.243 -0.085 21.29
H2S 0.000e+00 0.000e+00 -101.279 -101.275 0.004 37.26
S-2 0.000e+00 0.000e+00 -106.243 -106.558 -0.315 (0)
S(6) 1.328e-02
SO4-2 8.984e-03 4.336e-03 -2.047 -2.363 -0.316 15.92
CaSO4 4.291e-03 4.327e-03 -2.367 -2.364 0.004 8.39
HSO4- 2.766e-07 2.294e-07 -6.558 -6.639 -0.081 41.59
CaHSO4+ 1.466e-08 1.216e-08 -7.834 -7.915 -0.081 (0)
------------------------------Saturation indices-------------------------------
Phase SI log IAP log K(334 K, 1 atm)
Anhydrite 0.00 -4.72 -4.72 CaSO4
Gypsum -0.06 -4.72 -4.66 CaSO4:2H2O
H2(g) -30.43 -33.57 -3.14 H2
H2O(g) -0.69 -0.00 0.69 H2O
H2S(g) -99.95 -107.89 -7.94 H2S
O2(g) -11.80 -14.87 -3.07 O2
Sulfur -75.12 -70.99 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 -4.73 -4.73 1.000e+00 1.987e+00 9.865e-01
Gypsum -0.07 -4.73 -4.66 1.000e+00 0 -1.000e+00
-----------------------------Solution composition------------------------------
Elements Molality Moles
Ca 1.300e-02 1.347e-02
S 1.300e-02 1.347e-02
----------------------------Description of solution----------------------------
pH = 6.638 Charge balance
pe = 8.438 Adjusted to redox equilibrium
Specific Conductance (uS/cm, 62 oC) = 3580
Density (g/cm3) = 0.98387
Volume (L) = 1.05576
Activity of water = 1.000
Ionic strength = 3.526e-02
Mass of water (kg) = 1.036e+00
Total alkalinity (eq/kg) = 1.174e-09
Total carbon (mol/kg) = 0.000e+00
Total CO2 (mol/kg) = 0.000e+00
Temperature (deg C) = 62.00
Electrical balance (eq) = -1.225e-09
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00
Iterations = 13
Total H = 1.150124e+02
Total O = 5.756010e+01
----------------------------Distribution of species----------------------------
Log Log Log mole V
Species Molality Activity Molality Activity Gamma cm3/mol
OH- 5.665e-07 4.664e-07 -6.247 -6.331 -0.084 -3.75
H+ 2.679e-07 2.303e-07 -6.572 -6.638 -0.066 0.00
H2O 5.551e+01 9.996e-01 1.744 -0.000 0.000 18.34
Ca 1.300e-02
Ca+2 8.816e-03 4.343e-03 -2.055 -2.362 -0.308 -17.80
CaSO4 4.188e-03 4.222e-03 -2.378 -2.375 0.004 8.41
CaHSO4+ 1.494e-08 1.240e-08 -7.826 -7.906 -0.081 (0)
CaOH+ 3.769e-09 3.128e-09 -8.424 -8.505 -0.081 (0)
H(0) 7.140e-34
H2 3.570e-34 3.599e-34 -33.447 -33.444 0.004 28.58
O(0) 2.675e-15
O2 1.337e-15 1.348e-15 -14.874 -14.870 0.004 32.47
S(-2) 0.000e+00
HS- 0.000e+00 0.000e+00 -100.745 -100.829 -0.084 21.28
H2S 0.000e+00 0.000e+00 -100.860 -100.856 0.004 37.26
S-2 0.000e+00 0.000e+00 -105.817 -106.130 -0.313 (0)
S(6) 1.300e-02
SO4-2 8.816e-03 4.271e-03 -2.055 -2.369 -0.315 15.87
CaSO4 4.188e-03 4.222e-03 -2.378 -2.375 0.004 8.41
HSO4- 2.862e-07 2.376e-07 -6.543 -6.624 -0.081 41.59
CaHSO4+ 1.494e-08 1.240e-08 -7.826 -7.906 -0.081 (0)
------------------------------Saturation indices-------------------------------
Phase SI log IAP log K(335 K, 1 atm)
Anhydrite 0.00 -4.73 -4.73 CaSO4
Gypsum -0.07 -4.73 -4.66 CaSO4:2H2O
H2(g) -30.31 -33.44 -3.14 H2
H2O(g) -0.67 -0.00 0.67 H2O
H2S(g) -99.53 -107.47 -7.94 H2S
O2(g) -11.80 -14.87 -3.07 O2
Sulfur -74.82 -70.70 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 -4.75 -4.75 1.000e+00 1.987e+00 9.868e-01
Gypsum -0.08 -4.75 -4.67 1.000e+00 0 -1.000e+00
-----------------------------Solution composition------------------------------
Elements Molality Moles
Ca 1.274e-02 1.320e-02
S 1.274e-02 1.320e-02
----------------------------Description of solution----------------------------
pH = 6.628 Charge balance
pe = 8.383 Adjusted to redox equilibrium
Specific Conductance (uS/cm, 63 oC) = 3570
Density (g/cm3) = 0.98331
Volume (L) = 1.05631
Activity of water = 1.000
Ionic strength = 3.460e-02
Mass of water (kg) = 1.036e+00
Total alkalinity (eq/kg) = 1.174e-09
Total carbon (mol/kg) = 0.000e+00
Total CO2 (mol/kg) = 0.000e+00
Temperature (deg C) = 63.00
Electrical balance (eq) = -1.224e-09
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00
Iterations = 13
Total H = 1.150124e+02
Total O = 5.755900e+01
----------------------------Distribution of species----------------------------
Log Log Log mole V
Species Molality Activity Molality Activity Gamma cm3/mol
OH- 5.829e-07 4.805e-07 -6.234 -6.318 -0.084 -3.78
H+ 2.740e-07 2.357e-07 -6.562 -6.628 -0.065 0.00
H2O 5.551e+01 9.996e-01 1.744 -0.000 0.000 18.35
Ca 1.274e-02
Ca+2 8.650e-03 4.276e-03 -2.063 -2.369 -0.306 -17.82
CaSO4 4.086e-03 4.119e-03 -2.389 -2.385 0.003 8.42
CaHSO4+ 1.522e-08 1.265e-08 -7.818 -7.898 -0.080 (0)
CaOH+ 3.623e-09 3.010e-09 -8.441 -8.521 -0.080 (0)
H(0) 9.570e-34
H2 4.785e-34 4.823e-34 -33.320 -33.317 0.003 28.58
O(0) 2.678e-15
O2 1.339e-15 1.350e-15 -14.873 -14.870 0.003 32.51
S(-2) 0.000e+00
HS- 0.000e+00 0.000e+00 -100.336 -100.420 -0.084 21.27
H2S 0.000e+00 0.000e+00 -100.446 -100.443 0.003 37.26
S-2 0.000e+00 0.000e+00 -105.396 -105.708 -0.312 (0)
S(6) 1.274e-02
SO4-2 8.650e-03 4.207e-03 -2.063 -2.376 -0.313 15.83
CaSO4 4.086e-03 4.119e-03 -2.389 -2.385 0.003 8.42
HSO4- 2.961e-07 2.460e-07 -6.529 -6.609 -0.080 41.59
CaHSO4+ 1.522e-08 1.265e-08 -7.818 -7.898 -0.080 (0)
------------------------------Saturation indices-------------------------------
Phase SI log IAP log K(336 K, 1 atm)
Anhydrite 0.00 -4.75 -4.75 CaSO4
Gypsum -0.08 -4.75 -4.67 CaSO4:2H2O
H2(g) -30.18 -33.32 -3.14 H2
H2O(g) -0.65 -0.00 0.65 H2O
H2S(g) -99.11 -107.05 -7.94 H2S
O2(g) -11.80 -14.87 -3.07 O2
Sulfur -74.52 -70.42 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 -4.76 -4.76 1.000e+00 1.987e+00 9.871e-01
Gypsum -0.09 -4.76 -4.67 1.000e+00 0 -1.000e+00
-----------------------------Solution composition------------------------------
Elements Molality Moles
Ca 1.247e-02 1.292e-02
S 1.247e-02 1.292e-02
----------------------------Description of solution----------------------------
pH = 6.618 Charge balance
pe = 8.327 Adjusted to redox equilibrium
Specific Conductance (uS/cm, 64 oC) = 3560
Density (g/cm3) = 0.98274
Volume (L) = 1.05686
Activity of water = 1.000
Ionic strength = 3.395e-02
Mass of water (kg) = 1.036e+00
Total alkalinity (eq/kg) = 1.174e-09
Total carbon (mol/kg) = 0.000e+00
Total CO2 (mol/kg) = 0.000e+00
Temperature (deg C) = 64.00
Electrical balance (eq) = -1.222e-09
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00
Iterations = 13
Total H = 1.150124e+02
Total O = 5.755791e+01
----------------------------Distribution of species----------------------------
Log Log Log mole V
Species Molality Activity Molality Activity Gamma cm3/mol
OH- 5.996e-07 4.948e-07 -6.222 -6.306 -0.083 -3.81
H+ 2.802e-07 2.411e-07 -6.553 -6.618 -0.065 0.00
H2O 5.551e+01 9.996e-01 1.744 -0.000 0.000 18.36
Ca 1.247e-02
Ca+2 8.488e-03 4.210e-03 -2.071 -2.376 -0.305 -17.85
CaSO4 3.986e-03 4.018e-03 -2.399 -2.396 0.003 8.44
CaHSO4+ 1.550e-08 1.289e-08 -7.810 -7.890 -0.080 (0)
CaOH+ 3.483e-09 2.897e-09 -8.458 -8.538 -0.080 (0)
H(0) 1.283e-33
H2 6.417e-34 6.468e-34 -33.193 -33.189 0.003 28.58
O(0) 2.668e-15
O2 1.334e-15 1.344e-15 -14.875 -14.871 0.003 32.55
S(-2) 0.000e+00
HS- 0.000e+00 0.000e+00 -99.926 -100.009 -0.083 21.25
H2S 0.000e+00 0.000e+00 -100.031 -100.027 0.003 37.26
S-2 0.000e+00 0.000e+00 -104.974 -105.284 -0.310 (0)
S(6) 1.247e-02
SO4-2 8.488e-03 4.143e-03 -2.071 -2.383 -0.311 15.78
CaSO4 3.986e-03 4.018e-03 -2.399 -2.396 0.003 8.44
HSO4- 3.062e-07 2.547e-07 -6.514 -6.594 -0.080 41.59
CaHSO4+ 1.550e-08 1.289e-08 -7.810 -7.890 -0.080 (0)
------------------------------Saturation indices-------------------------------
Phase SI log IAP log K(337 K, 1 atm)
Anhydrite 0.00 -4.76 -4.76 CaSO4
Gypsum -0.09 -4.76 -4.67 CaSO4:2H2O
H2(g) -30.05 -33.19 -3.14 H2
H2O(g) -0.63 -0.00 0.63 H2O
H2S(g) -98.69 -106.63 -7.93 H2S
O2(g) -11.80 -14.87 -3.08 O2
Sulfur -74.21 -70.14 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 -4.77 -4.77 1.000e+00 1.987e+00 9.873e-01
Gypsum -0.10 -4.77 -4.67 1.000e+00 0 -1.000e+00
-----------------------------Solution composition------------------------------
Elements Molality Moles
Ca 1.222e-02 1.266e-02
S 1.222e-02 1.266e-02
----------------------------Description of solution----------------------------
pH = 6.608 Charge balance
pe = 8.273 Adjusted to redox equilibrium
Specific Conductance (uS/cm, 65 oC) = 3549
Density (g/cm3) = 0.98216
Volume (L) = 1.05743
Activity of water = 1.000
Ionic strength = 3.331e-02
Mass of water (kg) = 1.036e+00
Total alkalinity (eq/kg) = 1.174e-09
Total carbon (mol/kg) = 0.000e+00
Total CO2 (mol/kg) = 0.000e+00
Temperature (deg C) = 65.00
Electrical balance (eq) = -1.221e-09
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00
Iterations = 13
Total H = 1.150124e+02
Total O = 5.755684e+01
----------------------------Distribution of species----------------------------
Log Log Log mole V
Species Molality Activity Molality Activity Gamma cm3/mol
OH- 6.167e-07 5.095e-07 -6.210 -6.293 -0.083 -3.84
H+ 2.864e-07 2.466e-07 -6.543 -6.608 -0.065 0.00
H2O 5.551e+01 9.997e-01 1.744 -0.000 0.000 18.37
Ca 1.222e-02
Ca+2 8.328e-03 4.145e-03 -2.079 -2.382 -0.303 -17.87
CaSO4 3.888e-03 3.918e-03 -2.410 -2.407 0.003 8.45
CaHSO4+ 1.578e-08 1.314e-08 -7.802 -7.881 -0.080 (0)
CaOH+ 3.350e-09 2.789e-09 -8.475 -8.555 -0.080 (0)
H(0) 1.711e-33
H2 8.553e-34 8.619e-34 -33.068 -33.065 0.003 28.58
O(0) 2.682e-15
O2 1.341e-15 1.351e-15 -14.873 -14.869 0.003 32.59
S(-2) 0.000e+00
HS- 0.000e+00 0.000e+00 -99.526 -99.609 -0.083 21.24
H2S 0.000e+00 0.000e+00 -99.625 -99.622 0.003 37.26
S-2 0.000e+00 0.000e+00 -104.562 -104.870 -0.308 (0)
S(6) 1.222e-02
SO4-2 8.328e-03 4.080e-03 -2.079 -2.389 -0.310 15.73
CaSO4 3.888e-03 3.918e-03 -2.410 -2.407 0.003 8.45
HSO4- 3.167e-07 2.636e-07 -6.499 -6.579 -0.080 41.59
CaHSO4+ 1.578e-08 1.314e-08 -7.802 -7.881 -0.080 (0)
------------------------------Saturation indices-------------------------------
Phase SI log IAP log K(338 K, 1 atm)
Anhydrite 0.00 -4.77 -4.77 CaSO4
Gypsum -0.10 -4.77 -4.67 CaSO4:2H2O
H2(g) -29.93 -33.06 -3.14 H2
H2O(g) -0.61 -0.00 0.61 H2O
H2S(g) -98.28 -106.22 -7.93 H2S
O2(g) -11.79 -14.87 -3.08 O2
Sulfur -73.92 -69.86 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 -4.79 -4.79 1.000e+00 1.988e+00 9.876e-01
Gypsum -0.11 -4.79 -4.68 1.000e+00 0 -1.000e+00
-----------------------------Solution composition------------------------------
Elements Molality Moles
Ca 1.196e-02 1.239e-02
S 1.196e-02 1.239e-02
----------------------------Description of solution----------------------------
pH = 6.598 Charge balance
pe = 8.219 Adjusted to redox equilibrium
Specific Conductance (uS/cm, 66 oC) = 3537
Density (g/cm3) = 0.98158
Volume (L) = 1.05800
Activity of water = 1.000
Ionic strength = 3.268e-02
Mass of water (kg) = 1.036e+00
Total alkalinity (eq/kg) = 1.174e-09
Total carbon (mol/kg) = 0.000e+00
Total CO2 (mol/kg) = 0.000e+00
Temperature (deg C) = 66.00
Electrical balance (eq) = -1.220e-09
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00
Iterations = 13
Total H = 1.150124e+02
Total O = 5.755579e+01
----------------------------Distribution of species----------------------------
Log Log Log mole V
Species Molality Activity Molality Activity Gamma cm3/mol
OH- 6.341e-07 5.244e-07 -6.198 -6.280 -0.082 -3.87
H+ 2.927e-07 2.522e-07 -6.534 -6.598 -0.065 0.00
H2O 5.551e+01 9.997e-01 1.744 -0.000 0.000 18.38
Ca 1.196e-02
Ca+2 8.171e-03 4.081e-03 -2.088 -2.389 -0.301 -17.89
CaSO4 3.793e-03 3.821e-03 -2.421 -2.418 0.003 8.47
CaHSO4+ 1.606e-08 1.338e-08 -7.794 -7.873 -0.079 (0)
CaOH+ 3.222e-09 2.685e-09 -8.492 -8.571 -0.079 (0)
H(0) 2.280e-33
H2 1.140e-33 1.149e-33 -32.943 -32.940 0.003 28.58
O(0) 2.686e-15
O2 1.343e-15 1.353e-15 -14.872 -14.869 0.003 32.63
S(-2) 0.000e+00
HS- 0.000e+00 0.000e+00 -99.126 -99.208 -0.082 21.22
H2S 0.000e+00 0.000e+00 -99.220 -99.216 0.003 37.27
S-2 0.000e+00 0.000e+00 -104.149 -104.456 -0.307 (0)
S(6) 1.196e-02
SO4-2 8.170e-03 4.018e-03 -2.088 -2.396 -0.308 15.68
CaSO4 3.793e-03 3.821e-03 -2.421 -2.418 0.003 8.47
HSO4- 3.274e-07 2.728e-07 -6.485 -6.564 -0.079 41.59
CaHSO4+ 1.606e-08 1.338e-08 -7.794 -7.873 -0.079 (0)
------------------------------Saturation indices-------------------------------
Phase SI log IAP log K(339 K, 1 atm)
Anhydrite 0.00 -4.79 -4.79 CaSO4
Gypsum -0.11 -4.79 -4.68 CaSO4:2H2O
H2(g) -29.80 -32.94 -3.14 H2
H2O(g) -0.59 -0.00 0.59 H2O
H2S(g) -97.87 -105.81 -7.93 H2S
O2(g) -11.79 -14.87 -3.08 O2
Sulfur -73.62 -69.58 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 -4.80 -4.80 1.000e+00 1.988e+00 9.879e-01
Gypsum -0.12 -4.80 -4.68 1.000e+00 0 -1.000e+00
-----------------------------Solution composition------------------------------
Elements Molality Moles
Ca 1.171e-02 1.214e-02
S 1.171e-02 1.214e-02
----------------------------Description of solution----------------------------
pH = 6.589 Charge balance
pe = 8.164 Adjusted to redox equilibrium
Specific Conductance (uS/cm, 67 oC) = 3525
Density (g/cm3) = 0.98100
Volume (L) = 1.05858
Activity of water = 1.000
Ionic strength = 3.206e-02
Mass of water (kg) = 1.036e+00
Total alkalinity (eq/kg) = 1.174e-09
Total carbon (mol/kg) = 0.000e+00
Total CO2 (mol/kg) = 0.000e+00
Temperature (deg C) = 67.00
Electrical balance (eq) = -1.219e-09
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00
Iterations = 13
Total H = 1.150124e+02
Total O = 5.755476e+01
----------------------------Distribution of species----------------------------
Log Log Log mole V
Species Molality Activity Molality Activity Gamma cm3/mol
OH- 6.519e-07 5.397e-07 -6.186 -6.268 -0.082 -3.90
H+ 2.990e-07 2.578e-07 -6.524 -6.589 -0.064 0.00
H2O 5.551e+01 9.997e-01 1.744 -0.000 0.000 18.39
Ca 1.171e-02
Ca+2 8.016e-03 4.018e-03 -2.096 -2.396 -0.300 -17.92
CaSO4 3.699e-03 3.726e-03 -2.432 -2.429 0.003 8.48
CaHSO4+ 1.635e-08 1.363e-08 -7.787 -7.865 -0.079 (0)
CaOH+ 3.100e-09 2.586e-09 -8.509 -8.587 -0.079 (0)
H(0) 3.043e-33
H2 1.522e-33 1.533e-33 -32.818 -32.814 0.003 28.58
O(0) 2.675e-15
O2 1.337e-15 1.347e-15 -14.874 -14.871 0.003 32.67
S(-2) 0.000e+00
HS- 0.000e+00 0.000e+00 -98.723 -98.805 -0.082 21.21
H2S 0.000e+00 0.000e+00 -98.811 -98.808 0.003 37.27
S-2 0.000e+00 0.000e+00 -103.734 -104.039 -0.305 (0)
S(6) 1.171e-02
SO4-2 8.015e-03 3.957e-03 -2.096 -2.403 -0.307 15.62
CaSO4 3.699e-03 3.726e-03 -2.432 -2.429 0.003 8.48
HSO4- 3.384e-07 2.823e-07 -6.471 -6.549 -0.079 41.59
CaHSO4+ 1.635e-08 1.363e-08 -7.787 -7.865 -0.079 (0)
------------------------------Saturation indices-------------------------------
Phase SI log IAP log K(340 K, 1 atm)
Anhydrite 0.00 -4.80 -4.80 CaSO4
Gypsum -0.12 -4.80 -4.68 CaSO4:2H2O
H2(g) -29.68 -32.81 -3.14 H2
H2O(g) -0.57 -0.00 0.57 H2O
H2S(g) -97.46 -105.39 -7.93 H2S
O2(g) -11.79 -14.87 -3.08 O2
Sulfur -73.32 -69.30 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 -4.81 -4.81 1.000e+00 1.988e+00 9.881e-01
Gypsum -0.13 -4.81 -4.69 1.000e+00 0 -1.000e+00
-----------------------------Solution composition------------------------------
Elements Molality Moles
Ca 1.147e-02 1.188e-02
S 1.147e-02 1.188e-02
----------------------------Description of solution----------------------------
pH = 6.579 Charge balance
pe = 8.110 Adjusted to redox equilibrium
Specific Conductance (uS/cm, 68 oC) = 3512
Density (g/cm3) = 0.98041
Volume (L) = 1.05916
Activity of water = 1.000
Ionic strength = 3.145e-02
Mass of water (kg) = 1.036e+00
Total alkalinity (eq/kg) = 1.174e-09
Total carbon (mol/kg) = 0.000e+00
Total CO2 (mol/kg) = 0.000e+00
Temperature (deg C) = 68.00
Electrical balance (eq) = -1.218e-09
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00
Iterations = 13
Total H = 1.150124e+02
Total O = 5.755375e+01
----------------------------Distribution of species----------------------------
Log Log Log mole V
Species Molality Activity Molality Activity Gamma cm3/mol
OH- 6.700e-07 5.553e-07 -6.174 -6.255 -0.082 -3.93
H+ 3.054e-07 2.634e-07 -6.515 -6.579 -0.064 0.00
H2O 5.551e+01 9.997e-01 1.744 -0.000 0.000 18.40
Ca 1.147e-02
Ca+2 7.864e-03 3.955e-03 -2.104 -2.403 -0.298 -17.95
CaSO4 3.606e-03 3.633e-03 -2.443 -2.440 0.003 8.50
CaHSO4+ 1.663e-08 1.388e-08 -7.779 -7.858 -0.078 (0)
CaOH+ 2.984e-09 2.491e-09 -8.525 -8.604 -0.078 (0)
H(0) 4.045e-33
H2 2.023e-33 2.037e-33 -32.694 -32.691 0.003 28.58
O(0) 2.676e-15
O2 1.338e-15 1.348e-15 -14.874 -14.870 0.003 32.71
S(-2) 0.000e+00
HS- 0.000e+00 0.000e+00 -98.326 -98.408 -0.082 21.19
H2S 0.000e+00 0.000e+00 -98.409 -98.406 0.003 37.27
S-2 0.000e+00 0.000e+00 -103.325 -103.629 -0.304 (0)
S(6) 1.147e-02
SO4-2 7.863e-03 3.896e-03 -2.104 -2.409 -0.305 15.56
CaSO4 3.606e-03 3.633e-03 -2.443 -2.440 0.003 8.50
HSO4- 3.498e-07 2.920e-07 -6.456 -6.535 -0.078 41.59
CaHSO4+ 1.663e-08 1.388e-08 -7.779 -7.858 -0.078 (0)
------------------------------Saturation indices-------------------------------
Phase SI log IAP log K(341 K, 1 atm)
Anhydrite 0.00 -4.81 -4.81 CaSO4
Gypsum -0.13 -4.81 -4.69 CaSO4:2H2O
H2(g) -29.55 -32.69 -3.14 H2
H2O(g) -0.55 -0.00 0.55 H2O
H2S(g) -97.05 -104.99 -7.93 H2S
O2(g) -11.79 -14.87 -3.08 O2
Sulfur -73.03 -69.03 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 -4.83 -4.83 1.000e+00 1.988e+00 9.884e-01
Gypsum -0.14 -4.83 -4.69 1.000e+00 0 -1.000e+00
-----------------------------Solution composition------------------------------
Elements Molality Moles
Ca 1.123e-02 1.163e-02
S 1.123e-02 1.163e-02
----------------------------Description of solution----------------------------
pH = 6.570 Charge balance
pe = 8.057 Adjusted to redox equilibrium
Specific Conductance (uS/cm, 69 oC) = 3499
Density (g/cm3) = 0.97981
Volume (L) = 1.05975
Activity of water = 1.000
Ionic strength = 3.086e-02
Mass of water (kg) = 1.036e+00
Total alkalinity (eq/kg) = 1.174e-09
Total carbon (mol/kg) = 0.000e+00
Total CO2 (mol/kg) = 0.000e+00
Temperature (deg C) = 69.00
Electrical balance (eq) = -1.218e-09
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00
Iterations = 13
Total H = 1.150124e+02
Total O = 5.755276e+01
----------------------------Distribution of species----------------------------
Log Log Log mole V
Species Molality Activity Molality Activity Gamma cm3/mol
OH- 6.884e-07 5.712e-07 -6.162 -6.243 -0.081 -3.97
H+ 3.118e-07 2.692e-07 -6.506 -6.570 -0.064 0.00
H2O 5.551e+01 9.997e-01 1.744 -0.000 0.000 18.42
Ca 1.123e-02
Ca+2 7.714e-03 3.893e-03 -2.113 -2.410 -0.297 -17.97
CaSO4 3.516e-03 3.541e-03 -2.454 -2.451 0.003 8.51
CaHSO4+ 1.692e-08 1.413e-08 -7.772 -7.850 -0.078 (0)
CaOH+ 2.872e-09 2.400e-09 -8.542 -8.620 -0.078 (0)
H(0) 5.357e-33
H2 2.679e-33 2.698e-33 -32.572 -32.569 0.003 28.58
O(0) 2.688e-15
O2 1.344e-15 1.354e-15 -14.872 -14.868 0.003 32.75
S(-2) 0.000e+00
HS- 0.000e+00 0.000e+00 -97.936 -98.017 -0.081 21.17
H2S 0.000e+00 0.000e+00 -98.013 -98.010 0.003 37.27
S-2 0.000e+00 0.000e+00 -102.922 -103.225 -0.302 (0)
S(6) 1.123e-02
SO4-2 7.714e-03 3.837e-03 -2.113 -2.416 -0.303 15.50
CaSO4 3.516e-03 3.541e-03 -2.454 -2.451 0.003 8.51
HSO4- 3.614e-07 3.019e-07 -6.442 -6.520 -0.078 41.58
CaHSO4+ 1.692e-08 1.413e-08 -7.772 -7.850 -0.078 (0)
------------------------------Saturation indices-------------------------------
Phase SI log IAP log K(342 K, 1 atm)
Anhydrite 0.00 -4.83 -4.83 CaSO4
Gypsum -0.14 -4.83 -4.69 CaSO4:2H2O
H2(g) -29.43 -32.57 -3.14 H2
H2O(g) -0.53 -0.00 0.53 H2O
H2S(g) -96.65 -104.59 -7.93 H2S
O2(g) -11.78 -14.87 -3.09 O2
Sulfur -72.74 -68.76 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 -4.84 -4.84 1.000e+00 1.989e+00 9.886e-01
Gypsum -0.15 -4.84 -4.69 1.000e+00 0 -1.000e+00
-----------------------------Solution composition------------------------------
Elements Molality Moles
Ca 1.099e-02 1.139e-02
S 1.099e-02 1.139e-02
----------------------------Description of solution----------------------------
pH = 6.561 Charge balance
pe = 8.003 Adjusted to redox equilibrium
Specific Conductance (uS/cm, 70 oC) = 3485
Density (g/cm3) = 0.97921
Volume (L) = 1.06035
Activity of water = 1.000
Ionic strength = 3.027e-02
Mass of water (kg) = 1.036e+00
Total alkalinity (eq/kg) = 1.174e-09
Total carbon (mol/kg) = 0.000e+00
Total CO2 (mol/kg) = 0.000e+00
Temperature (deg C) = 70.00
Electrical balance (eq) = -1.217e-09
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00
Iterations = 13
Total H = 1.150124e+02
Total O = 5.755178e+01
----------------------------Distribution of species----------------------------
Log Log Log mole V
Species Molality Activity Molality Activity Gamma cm3/mol
OH- 7.072e-07 5.874e-07 -6.150 -6.231 -0.081 -4.00
H+ 3.183e-07 2.749e-07 -6.497 -6.561 -0.064 0.00
H2O 5.551e+01 9.997e-01 1.744 -0.000 0.000 18.43
Ca 1.099e-02
Ca+2 7.567e-03 3.832e-03 -2.121 -2.417 -0.295 -18.00
CaSO4 3.428e-03 3.452e-03 -2.465 -2.462 0.003 8.53
CaHSO4+ 1.720e-08 1.438e-08 -7.764 -7.842 -0.078 (0)
CaOH+ 2.765e-09 2.312e-09 -8.558 -8.636 -0.078 (0)
H(0) 7.107e-33
H2 3.553e-33 3.578e-33 -32.449 -32.446 0.003 28.58
O(0) 2.683e-15
O2 1.341e-15 1.351e-15 -14.872 -14.869 0.003 32.79
S(-2) 0.000e+00
HS- 0.000e+00 0.000e+00 -97.542 -97.623 -0.081 21.15
H2S 0.000e+00 0.000e+00 -97.613 -97.610 0.003 37.27
S-2 0.000e+00 0.000e+00 -102.517 -102.817 -0.300 (0)
S(6) 1.099e-02
SO4-2 7.567e-03 3.778e-03 -2.121 -2.423 -0.302 15.43
CaSO4 3.428e-03 3.452e-03 -2.465 -2.462 0.003 8.53
HSO4- 3.733e-07 3.122e-07 -6.428 -6.506 -0.078 41.58
CaHSO4+ 1.720e-08 1.438e-08 -7.764 -7.842 -0.078 (0)
------------------------------Saturation indices-------------------------------
Phase SI log IAP log K(343 K, 1 atm)
Anhydrite 0.00 -4.84 -4.84 CaSO4
Gypsum -0.15 -4.84 -4.69 CaSO4:2H2O
H2(g) -29.31 -32.45 -3.14 H2
H2O(g) -0.52 -0.00 0.51 H2O
H2S(g) -96.25 -104.18 -7.93 H2S
O2(g) -11.78 -14.87 -3.09 O2
Sulfur -72.45 -68.48 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 -4.85 -4.85 1.000e+00 1.989e+00 9.888e-01
Gypsum -0.15 -4.85 -4.70 1.000e+00 0 -1.000e+00
-----------------------------Solution composition------------------------------
Elements Molality Moles
Ca 1.076e-02 1.115e-02
S 1.076e-02 1.115e-02
----------------------------Description of solution----------------------------
pH = 6.552 Charge balance
pe = 7.948 Adjusted to redox equilibrium
Specific Conductance (uS/cm, 71 oC) = 3470
Density (g/cm3) = 0.97861
Volume (L) = 1.06096
Activity of water = 1.000
Ionic strength = 2.969e-02
Mass of water (kg) = 1.036e+00
Total alkalinity (eq/kg) = 1.174e-09
Total carbon (mol/kg) = 0.000e+00
Total CO2 (mol/kg) = 0.000e+00
Temperature (deg C) = 71.00
Electrical balance (eq) = -1.217e-09
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00
Iterations = 17
Total H = 1.150124e+02
Total O = 5.755082e+01
----------------------------Distribution of species----------------------------
Log Log Log mole V
Species Molality Activity Molality Activity Gamma cm3/mol
OH- 7.264e-07 6.040e-07 -6.139 -6.219 -0.080 -4.04
H+ 3.249e-07 2.808e-07 -6.488 -6.552 -0.063 0.00
H2O 5.551e+01 9.997e-01 1.744 -0.000 0.000 18.44
Ca 1.076e-02
Ca+2 7.423e-03 3.772e-03 -2.129 -2.423 -0.294 -18.03
CaSO4 3.341e-03 3.364e-03 -2.476 -2.473 0.003 8.54
CaHSO4+ 1.748e-08 1.464e-08 -7.757 -7.835 -0.077 (0)
CaOH+ 2.663e-09 2.229e-09 -8.575 -8.652 -0.077 (0)
H(0) 9.455e-33
H2 4.727e-33 4.760e-33 -32.325 -32.322 0.003 28.58
O(0) 2.653e-15
O2 1.326e-15 1.335e-15 -14.877 -14.874 0.003 32.83
S(-2) 0.000e+00
HS- 0.000e+00 0.000e+00 -97.143 -97.223 -0.080 21.12
H2S 0.000e+00 0.000e+00 -97.208 -97.205 0.003 37.27
S-2 0.000e+00 0.000e+00 -102.105 -102.404 -0.299 (0)
S(6) 1.076e-02
SO4-2 7.422e-03 3.719e-03 -2.129 -2.430 -0.300 15.36
CaSO4 3.341e-03 3.364e-03 -2.476 -2.473 0.003 8.54
HSO4- 3.856e-07 3.227e-07 -6.414 -6.491 -0.077 41.57
CaHSO4+ 1.748e-08 1.464e-08 -7.757 -7.835 -0.077 (0)
------------------------------Saturation indices-------------------------------
Phase SI log IAP log K(344 K, 1 atm)
Anhydrite 0.00 -4.85 -4.85 CaSO4
Gypsum -0.15 -4.85 -4.70 CaSO4:2H2O
H2(g) -29.19 -32.32 -3.14 H2
H2O(g) -0.50 -0.00 0.50 H2O
H2S(g) -95.84 -103.77 -7.93 H2S
O2(g) -11.78 -14.87 -3.09 O2
Sulfur -72.16 -68.21 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 -4.87 -4.87 1.000e+00 1.989e+00 9.891e-01
Gypsum -0.16 -4.87 -4.70 1.000e+00 0 -1.000e+00
-----------------------------Solution composition------------------------------
Elements Molality Moles
Ca 1.054e-02 1.092e-02
S 1.054e-02 1.092e-02
----------------------------Description of solution----------------------------
pH = 6.543 Charge balance
pe = 7.895 Adjusted to redox equilibrium
Specific Conductance (uS/cm, 72 oC) = 3455
Density (g/cm3) = 0.97800
Volume (L) = 1.06157
Activity of water = 1.000
Ionic strength = 2.912e-02
Mass of water (kg) = 1.036e+00
Total alkalinity (eq/kg) = 1.174e-09
Total carbon (mol/kg) = 0.000e+00
Total CO2 (mol/kg) = 0.000e+00
Temperature (deg C) = 72.00
Electrical balance (eq) = -1.217e-09
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00
Iterations = 17
Total H = 1.150124e+02
Total O = 5.754988e+01
----------------------------Distribution of species----------------------------
Log Log Log mole V
Species Molality Activity Molality Activity Gamma cm3/mol
OH- 7.459e-07 6.209e-07 -6.127 -6.207 -0.080 -4.08
H+ 3.314e-07 2.866e-07 -6.480 -6.543 -0.063 0.00
H2O 5.551e+01 9.997e-01 1.744 -0.000 0.000 18.45
Ca 1.054e-02
Ca+2 7.281e-03 3.713e-03 -2.138 -2.430 -0.292 -18.06
CaSO4 3.256e-03 3.278e-03 -2.487 -2.484 0.003 8.55
CaHSO4+ 1.777e-08 1.489e-08 -7.750 -7.827 -0.077 (0)
CaOH+ 2.565e-09 2.149e-09 -8.591 -8.668 -0.077 (0)
H(0) 1.249e-32
H2 6.246e-33 6.288e-33 -32.204 -32.202 0.003 28.58
O(0) 2.651e-15
O2 1.326e-15 1.334e-15 -14.878 -14.875 0.003 32.87
S(-2) 0.000e+00
HS- 0.000e+00 0.000e+00 -96.755 -96.835 -0.080 21.10
H2S 0.000e+00 0.000e+00 -96.815 -96.812 0.003 37.27
S-2 0.000e+00 0.000e+00 -101.705 -102.003 -0.297 (0)
S(6) 1.054e-02
SO4-2 7.280e-03 3.662e-03 -2.138 -2.436 -0.298 15.29
CaSO4 3.256e-03 3.278e-03 -2.487 -2.484 0.003 8.55
HSO4- 3.981e-07 3.336e-07 -6.400 -6.477 -0.077 41.56
CaHSO4+ 1.777e-08 1.489e-08 -7.750 -7.827 -0.077 (0)
------------------------------Saturation indices-------------------------------
Phase SI log IAP log K(345 K, 1 atm)
Anhydrite 0.00 -4.87 -4.87 CaSO4
Gypsum -0.16 -4.87 -4.70 CaSO4:2H2O
H2(g) -29.07 -32.20 -3.13 H2
H2O(g) -0.48 -0.00 0.48 H2O
H2S(g) -95.45 -103.38 -7.93 H2S
O2(g) -11.78 -14.87 -3.09 O2
Sulfur -71.87 -67.94 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 -4.88 -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 1.031e-02 1.069e-02
S 1.031e-02 1.069e-02
----------------------------Description of solution----------------------------
pH = 6.534 Charge balance
pe = 7.843 Adjusted to redox equilibrium
Specific Conductance (uS/cm, 73 oC) = 3440
Density (g/cm3) = 0.97739
Volume (L) = 1.06219
Activity of water = 1.000
Ionic strength = 2.856e-02
Mass of water (kg) = 1.036e+00
Total alkalinity (eq/kg) = 1.174e-09
Total carbon (mol/kg) = 0.000e+00
Total CO2 (mol/kg) = 0.000e+00
Temperature (deg C) = 73.00
Electrical balance (eq) = -1.217e-09
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00
Iterations = 17
Total H = 1.150124e+02
Total O = 5.754896e+01
----------------------------Distribution of species----------------------------
Log Log Log mole V
Species Molality Activity Molality Activity Gamma cm3/mol
OH- 7.658e-07 6.382e-07 -6.116 -6.195 -0.079 -4.12
H+ 3.381e-07 2.926e-07 -6.471 -6.534 -0.063 0.00
H2O 5.551e+01 9.997e-01 1.744 -0.000 0.000 18.46
Ca 1.031e-02
Ca+2 7.141e-03 3.654e-03 -2.146 -2.437 -0.291 -18.09
CaSO4 3.173e-03 3.194e-03 -2.499 -2.496 0.003 8.57
CaHSO4+ 1.806e-08 1.514e-08 -7.743 -7.820 -0.076 (0)
CaOH+ 2.471e-09 2.072e-09 -8.607 -8.684 -0.076 (0)
H(0) 1.648e-32
H2 8.238e-33 8.292e-33 -32.084 -32.081 0.003 28.58
O(0) 2.650e-15
O2 1.325e-15 1.334e-15 -14.878 -14.875 0.003 32.91
S(-2) 0.000e+00
HS- 0.000e+00 0.000e+00 -96.370 -96.449 -0.079 21.08
H2S 0.000e+00 0.000e+00 -96.424 -96.421 0.003 37.28
S-2 0.000e+00 0.000e+00 -101.308 -101.604 -0.296 (0)
S(6) 1.031e-02
SO4-2 7.141e-03 3.605e-03 -2.146 -2.443 -0.297 15.21
CaSO4 3.173e-03 3.194e-03 -2.499 -2.496 0.003 8.57
HSO4- 4.110e-07 3.447e-07 -6.386 -6.463 -0.076 41.55
CaHSO4+ 1.806e-08 1.514e-08 -7.743 -7.820 -0.076 (0)
------------------------------Saturation indices-------------------------------
Phase SI log IAP log K(346 K, 1 atm)
Anhydrite 0.00 -4.88 -4.88 CaSO4
Gypsum -0.17 -4.88 -4.71 CaSO4:2H2O
H2(g) -28.95 -32.08 -3.13 H2
H2O(g) -0.46 -0.00 0.46 H2O
H2S(g) -95.05 -102.98 -7.93 H2S
O2(g) -11.78 -14.87 -3.09 O2
Sulfur -71.58 -67.67 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 -4.89 -4.89 1.000e+00 1.990e+00 9.895e-01
Gypsum -0.18 -4.89 -4.71 1.000e+00 0 -1.000e+00
-----------------------------Solution composition------------------------------
Elements Molality Moles
Ca 1.010e-02 1.046e-02
S 1.010e-02 1.046e-02
----------------------------Description of solution----------------------------
pH = 6.525 Charge balance
pe = 7.821 Adjusted to redox equilibrium
Specific Conductance (uS/cm, 74 oC) = 3423
Density (g/cm3) = 0.97677
Volume (L) = 1.06282
Activity of water = 1.000
Ionic strength = 2.802e-02
Mass of water (kg) = 1.036e+00
Total alkalinity (eq/kg) = 1.174e-09
Total carbon (mol/kg) = 0.000e+00
Total CO2 (mol/kg) = 0.000e+00
Temperature (deg C) = 74.00
Electrical balance (eq) = -1.217e-09
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00
Iterations = 17
Total H = 1.150124e+02
Total O = 5.754806e+01
----------------------------Distribution of species----------------------------
Log Log Log mole V
Species Molality Activity Molality Activity Gamma cm3/mol
OH- 7.861e-07 6.558e-07 -6.105 -6.183 -0.079 -4.16
H+ 3.448e-07 2.985e-07 -6.462 -6.525 -0.063 0.00
H2O 5.551e+01 9.997e-01 1.744 -0.000 0.000 18.47
Ca 1.010e-02
Ca+2 7.004e-03 3.596e-03 -2.155 -2.444 -0.289 -18.12
CaSO4 3.092e-03 3.112e-03 -2.510 -2.507 0.003 8.58
CaHSO4+ 1.834e-08 1.540e-08 -7.737 -7.813 -0.076 (0)
CaOH+ 2.381e-09 1.999e-09 -8.623 -8.699 -0.076 (0)
H(0) 1.885e-32
H2 9.424e-33 9.485e-33 -32.026 -32.023 0.003 28.58
O(0) 3.511e-15
O2 1.755e-15 1.767e-15 -14.756 -14.753 0.003 32.95
S(-2) 0.000e+00
HS- 0.000e+00 0.000e+00 -96.232 -96.310 -0.079 21.05
H2S 0.000e+00 0.000e+00 -96.280 -96.277 0.003 37.28
S-2 0.000e+00 0.000e+00 -101.158 -101.452 -0.294 (0)
S(6) 1.010e-02
SO4-2 7.004e-03 3.549e-03 -2.155 -2.450 -0.295 15.13
CaSO4 3.092e-03 3.112e-03 -2.510 -2.507 0.003 8.58
HSO4- 4.242e-07 3.561e-07 -6.372 -6.448 -0.076 41.54
CaHSO4+ 1.834e-08 1.540e-08 -7.737 -7.813 -0.076 (0)
------------------------------Saturation indices-------------------------------
Phase SI log IAP log K(347 K, 1 atm)
Anhydrite 0.00 -4.89 -4.89 CaSO4
Gypsum -0.18 -4.89 -4.71 CaSO4:2H2O
H2(g) -28.89 -32.02 -3.13 H2
H2O(g) -0.44 -0.00 0.44 H2O
H2S(g) -94.90 -102.84 -7.93 H2S
O2(g) -11.66 -14.75 -3.10 O2
Sulfur -71.49 -67.59 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 -4.91 -4.91 1.000e+00 1.990e+00 9.898e-01
Gypsum -0.19 -4.91 -4.72 1.000e+00 0 -1.000e+00
-----------------------------Solution composition------------------------------
Elements Molality Moles
Ca 9.882e-03 1.024e-02
S 9.882e-03 1.024e-02
----------------------------Description of solution----------------------------
pH = 6.516 Charge balance
pe = 7.763 Adjusted to redox equilibrium
Specific Conductance (uS/cm, 75 oC) = 3407
Density (g/cm3) = 0.97614
Volume (L) = 1.06345
Activity of water = 1.000
Ionic strength = 2.748e-02
Mass of water (kg) = 1.036e+00
Total alkalinity (eq/kg) = 1.174e-09
Total carbon (mol/kg) = 0.000e+00
Total CO2 (mol/kg) = 0.000e+00
Temperature (deg C) = 75.00
Electrical balance (eq) = -1.208e-09
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00
Iterations = 13
Total H = 1.150124e+02
Total O = 5.754717e+01
----------------------------Distribution of species----------------------------
Log Log Log mole V
Species Molality Activity Molality Activity Gamma cm3/mol
OH- 8.067e-07 6.737e-07 -6.093 -6.172 -0.078 -4.20
H+ 3.515e-07 3.046e-07 -6.454 -6.516 -0.062 0.00
H2O 5.551e+01 9.997e-01 1.744 -0.000 0.000 18.48
Ca 9.882e-03
Ca+2 6.869e-03 3.539e-03 -2.163 -2.451 -0.288 -18.15
CaSO4 3.012e-03 3.031e-03 -2.521 -2.518 0.003 8.59
CaHSO4+ 1.863e-08 1.565e-08 -7.730 -7.805 -0.076 (0)
CaOH+ 2.295e-09 1.928e-09 -8.639 -8.715 -0.076 (0)
H(0) 2.533e-32
H2 1.266e-32 1.274e-32 -31.897 -31.895 0.003 28.58
O(0) 3.359e-15
O2 1.680e-15 1.690e-15 -14.775 -14.772 0.003 32.99
S(-2) 0.000e+00
HS- 0.000e+00 0.000e+00 -95.813 -95.892 -0.078 21.03
H2S 0.000e+00 0.000e+00 -95.855 -95.853 0.003 37.28
S-2 0.000e+00 0.000e+00 -100.727 -101.020 -0.293 (0)
S(6) 9.882e-03
SO4-2 6.869e-03 3.493e-03 -2.163 -2.457 -0.294 15.05
CaSO4 3.012e-03 3.031e-03 -2.521 -2.518 0.003 8.59
HSO4- 4.377e-07 3.678e-07 -6.359 -6.434 -0.076 41.53
CaHSO4+ 1.863e-08 1.565e-08 -7.730 -7.805 -0.076 (0)
------------------------------Saturation indices-------------------------------
Phase SI log IAP log K(348 K, 1 atm)
Anhydrite 0.00 -4.91 -4.91 CaSO4
Gypsum -0.19 -4.91 -4.72 CaSO4:2H2O
H2(g) -28.76 -31.89 -3.13 H2
H2O(g) -0.42 -0.00 0.42 H2O
H2S(g) -94.48 -102.41 -7.93 H2S
O2(g) -11.67 -14.77 -3.10 O2
Sulfur -71.18 -67.29 3.88 S
------------------
End of simulation.
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Reading input data for simulation 2.
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End of Run after 0.05 Seconds.
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