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David L Parkhurst a6b6c7756a Updated phreeqcpp to have examples from phreeqc. 
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Input file: ../examples/ex6
Output file: ex6.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 6A.--React to phase boundaries.
SOLUTION 1 PURE WATER
pH 7.0 charge
temp 25.0
PHASES
Gibbsite
Al(OH)3 + 3 H+ = Al+3 + 3 H2O
log_k 8.049
delta_h -22.792 kcal
Kaolinite
Al2Si2O5(OH)4 + 6 H+ = H2O + 2 H4SiO4 + 2 Al+3
log_k 5.708
delta_h -35.306 kcal
K-mica
KAl3Si3O10(OH)2 + 10 H+ = 3 Al+3 + 3 H4SiO4 + K+
log_k 12.970
delta_h -59.377 kcal
K-feldspar
KAlSi3O8 + 4 H2O + 4 H+ = Al+3 + 3 H4SiO4 + K+
log_k 0.875
delta_h -12.467 kcal
SELECTED_OUTPUT
file ex6A-B.sel
activities K+ H+ H4SiO4
si Gibbsite Kaolinite K-mica K-feldspar
equilibrium_phases Gibbsite Kaolinite K-mica K-feldspar
END
-----
TITLE
-----
Example 6A.--React to phase boundaries.
-------------------------------------------
Beginning of initial solution calculations.
-------------------------------------------
Initial solution 1. PURE WATER
-----------------------------Solution composition------------------------------
Elements Molality Moles
Pure water
----------------------------Description of solution----------------------------
pH = 7.000 Charge balance
pe = 4.000
Specific Conductance (uS/cm, 25 oC) = 0
Density (g/cm3) = 0.99705
Activity of water = 1.000
Ionic strength = 1.001e-07
Mass of water (kg) = 1.000e+00
Total alkalinity (eq/kg) = 3.121e-18
Total carbon (mol/kg) = 0.000e+00
Total CO2 (mol/kg) = 0.000e+00
Temperature (deg C) = 25.000
Electrical balance (eq) = -3.121e-18
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00
Iterations = 2
Total H = 1.110124e+02
Total O = 5.550622e+01
----------------------------Distribution of species----------------------------
Log Log Log
Species Molality Activity Molality Activity Gamma
OH- 1.001e-07 1.001e-07 -7.000 -7.000 0.000
H+ 1.001e-07 1.001e-07 -7.000 -7.000 0.000
H2O 5.551e+01 1.000e+00 1.744 0.000 0.000
H(0) 1.417e-25
H2 7.087e-26 7.087e-26 -25.150 -25.150 0.000
O(0) 0.000e+00
O2 0.000e+00 0.000e+00 -42.081 -42.081 0.000
------------------------------Saturation indices-------------------------------
Phase SI log IAP log KT
H2(g) -22.00 -25.15 -3.15 H2
H2O(g) -1.51 0.00 1.51 H2O
O2(g) -39.19 -42.08 -2.89 O2
------------------
End of simulation.
------------------
------------------------------------
Reading input data for simulation 2.
------------------------------------
TITLE Example 6A1.--Find amount of K-feldspar dissolved to
reach gibbsite saturation.
USE solution 1
EQUILIBRIUM_PHASES 1
Gibbsite 0.0 KAlSi3O8 10.0
Kaolinite 0.0 0.0
K-mica 0.0 0.0
K-feldspar 0.0 0.0
END
-----
TITLE
-----
Example 6A1.--Find amount of K-feldspar dissolved to
reach gibbsite saturation.
-----------------------------------------
Beginning of batch-reaction calculations.
-----------------------------------------
Reaction step 1.
Using solution 1. PURE WATER
Using pure phase assemblage 1.
-------------------------------Phase assemblage--------------------------------
Moles in assemblage
Phase SI log IAP log KT Initial Final Delta
Gibbsite 0.00 8.05 8.05
KAlSi3O8 is reactant 1.000e+01 1.000e+01 -2.671e-08
K-feldspar -14.68 -13.81 0.88 0.000e+00 0 0.000e+00
K-mica -10.68 2.29 12.97 0.000e+00 0 0.000e+00
Kaolinite -3.80 1.90 5.71 0.000e+00 0 0.000e+00
-----------------------------Solution composition------------------------------
Elements Molality Moles
Al 2.671e-08 2.671e-08
K 2.671e-08 2.671e-08
Si 8.013e-08 8.013e-08
----------------------------Description of solution----------------------------
pH = 7.006 Charge balance
pe = 11.468 Adjusted to redox equilibrium
Specific Conductance (uS/cm, 25 oC) = 0
Density (g/cm3) = 0.99705
Activity of water = 1.000
Ionic strength = 1.262e-07
Mass of water (kg) = 1.000e+00
Total alkalinity (eq/kg) = 1.068e-07
Total carbon (mol/kg) = 0.000e+00
Total CO2 (mol/kg) = 0.000e+00
Temperature (deg C) = 25.000
Electrical balance (eq) = -5.300e-17
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00
Iterations = 9
Total H = 1.110124e+02
Total O = 5.550622e+01
----------------------------Distribution of species----------------------------
Log Log Log
Species Molality Activity Molality Activity Gamma
OH- 1.016e-07 1.015e-07 -6.993 -6.993 0.000
H+ 9.865e-08 9.861e-08 -7.006 -7.006 0.000
H2O 5.551e+01 1.000e+00 1.744 0.000 0.000
Al 2.671e-08
Al(OH)4- 2.455e-08 2.454e-08 -7.610 -7.610 0.000
Al(OH)3 1.284e-09 1.284e-09 -8.891 -8.891 0.000
Al(OH)2+ 8.597e-10 8.594e-10 -9.066 -9.066 0.000
AlOH+2 1.083e-11 1.081e-11 -10.965 -10.966 -0.001
Al+3 1.077e-13 1.073e-13 -12.968 -12.969 -0.002
H(0) 0.000e+00
H2 0.000e+00 0.000e+00 -40.099 -40.099 0.000
K 2.671e-08
K+ 2.671e-08 2.670e-08 -7.573 -7.574 0.000
KOH 9.388e-16 9.388e-16 -15.027 -15.027 0.000
O(0) 1.314e-12
O2 6.572e-13 6.572e-13 -12.182 -12.182 0.000
Si 8.013e-08
H4SiO4 8.001e-08 8.001e-08 -7.097 -7.097 0.000
H3SiO4- 1.197e-10 1.196e-10 -9.922 -9.922 0.000
H2SiO4-2 8.267e-17 8.253e-17 -16.083 -16.083 -0.001
------------------------------Saturation indices-------------------------------
Phase SI log IAP log KT
Al(OH)3(a) -2.75 8.05 10.80 Al(OH)3
Chalcedony -3.55 -7.10 -3.55 SiO2
Gibbsite 0.00 8.05 8.05 Al(OH)3
H2(g) -36.95 -40.10 -3.15 H2
H2O(g) -1.51 0.00 1.51 H2O
K-feldspar -14.68 -13.81 0.88 KAlSi3O8
K-mica -10.68 2.29 12.97 KAl3Si3O10(OH)2
Kaolinite -3.80 1.90 5.71 Al2Si2O5(OH)4
O2(g) -9.29 -12.18 -2.89 O2
Quartz -3.12 -7.10 -3.98 SiO2
SiO2(a) -4.39 -7.10 -2.71 SiO2
------------------
End of simulation.
------------------
------------------------------------
Reading input data for simulation 3.
------------------------------------
TITLE Example 6A2.--Find amount of K-feldspar dissolved to
reach kaolinite saturation.
USE solution 1
EQUILIBRIUM_PHASES 1
Gibbsite 0.0 0.0
Kaolinite 0.0 KAlSi3O8 10.0
K-mica 0.0 0.0
K-feldspar 0.0 0.0
END
-----
TITLE
-----
Example 6A2.--Find amount of K-feldspar dissolved to
reach kaolinite saturation.
-----------------------------------------
Beginning of batch-reaction calculations.
-----------------------------------------
Reaction step 1.
Using solution 1. PURE WATER
Using pure phase assemblage 1.
-------------------------------Phase assemblage--------------------------------
Moles in assemblage
Phase SI log IAP log KT Initial Final Delta
Gibbsite 0.00 8.05 8.05 0.000e+00 1.782e-06 1.782e-06
K-feldspar -5.86 -4.99 0.88 0.000e+00 0 0.000e+00
K-mica -1.86 11.11 12.97 0.000e+00 0 0.000e+00
Kaolinite 0.00 5.71 5.71
KAlSi3O8 is reactant 1.000e+01 1.000e+01 -2.179e-06
-----------------------------Solution composition------------------------------
Elements Molality Moles
Al 3.968e-07 3.968e-07
K 2.179e-06 2.179e-06
Si 6.536e-06 6.536e-06
----------------------------Description of solution----------------------------
pH = 8.212 Charge balance
pe = 9.894 Adjusted to redox equilibrium
Specific Conductance (uS/cm, 25 oC) = 0
Density (g/cm3) = 0.99705
Activity of water = 1.000
Ionic strength = 2.185e-06
Mass of water (kg) = 1.000e+00
Total alkalinity (eq/kg) = 3.369e-06
Total carbon (mol/kg) = 0.000e+00
Total CO2 (mol/kg) = 0.000e+00
Temperature (deg C) = 25.000
Electrical balance (eq) = -1.876e-15
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00
Iterations = 13
Total H = 1.110124e+02
Total O = 5.550623e+01
----------------------------Distribution of species----------------------------
Log Log Log
Species Molality Activity Molality Activity Gamma
OH- 1.636e-06 1.633e-06 -5.786 -5.787 -0.001
H+ 6.141e-09 6.131e-09 -8.212 -8.212 -0.001
H2O 5.551e+01 1.000e+00 1.744 0.000 0.000
Al 3.968e-07
Al(OH)4- 3.955e-07 3.948e-07 -6.403 -6.404 -0.001
Al(OH)3 1.284e-09 1.284e-09 -8.891 -8.891 0.000
Al(OH)2+ 5.352e-11 5.343e-11 -10.271 -10.272 -0.001
AlOH+2 4.208e-14 4.179e-14 -13.376 -13.379 -0.003
Al+3 2.620e-17 2.579e-17 -16.582 -16.588 -0.007
H(0) 8.674e-40
H2 4.337e-40 4.337e-40 -39.363 -39.363 0.000
K 2.179e-06
K+ 2.179e-06 2.175e-06 -5.662 -5.663 -0.001
KOH 1.230e-12 1.230e-12 -11.910 -11.910 0.000
O(0) 4.433e-14
O2 2.216e-14 2.216e-14 -13.654 -13.654 0.000
Si 6.536e-06
H4SiO4 6.383e-06 6.383e-06 -5.195 -5.195 0.000
H3SiO4- 1.538e-07 1.535e-07 -6.813 -6.814 -0.001
H2SiO4-2 1.715e-12 1.703e-12 -11.766 -11.769 -0.003
------------------------------Saturation indices-------------------------------
Phase SI log IAP log KT
Al(OH)3(a) -2.75 8.05 10.80 Al(OH)3
Chalcedony -1.64 -5.20 -3.55 SiO2
Gibbsite 0.00 8.05 8.05 Al(OH)3
H2(g) -36.21 -39.36 -3.15 H2
H2O(g) -1.51 0.00 1.51 H2O
K-feldspar -5.86 -4.99 0.88 KAlSi3O8
K-mica -1.86 11.11 12.97 KAl3Si3O10(OH)2
Kaolinite 0.00 5.71 5.71 Al2Si2O5(OH)4
O2(g) -10.76 -13.65 -2.89 O2
Quartz -1.21 -5.20 -3.98 SiO2
SiO2(a) -2.48 -5.20 -2.71 SiO2
------------------
End of simulation.
------------------
------------------------------------
Reading input data for simulation 4.
------------------------------------
TITLE Example 6A3.--Find amount of K-feldspar dissolved to
reach K-mica saturation.
USE solution 1
EQUILIBRIUM_PHASES 1
Gibbsite 0.0 0.0
Kaolinite 0.0 0.0
K-mica 0.0 KAlSi3O8 10.0
K-feldspar 0.0 0.0
END
-----
TITLE
-----
Example 6A3.--Find amount of K-feldspar dissolved to
reach K-mica saturation.
-----------------------------------------
Beginning of batch-reaction calculations.
-----------------------------------------
Reaction step 1.
Using solution 1. PURE WATER
Using pure phase assemblage 1.
-------------------------------Phase assemblage--------------------------------
Moles in assemblage
Phase SI log IAP log KT Initial Final Delta
Gibbsite -0.73 7.32 8.05 0.000e+00 0 0.000e+00
K-feldspar -2.55 -1.67 0.88 0.000e+00 0 0.000e+00
K-mica 0.00 12.97 12.97
KAlSi3O8 is reactant 1.000e+01 1.000e+01 -2.001e-05
Kaolinite 0.00 5.71 5.71 0.000e+00 9.715e-06 9.715e-06
-----------------------------Solution composition------------------------------
Elements Molality Moles
Al 5.851e-07 5.851e-07
K 2.001e-05 2.001e-05
Si 4.062e-05 4.061e-05
----------------------------Description of solution----------------------------
pH = 9.109 Charge balance
pe = 9.063 Adjusted to redox equilibrium
Specific Conductance (uS/cm, 25 oC) = 4
Density (g/cm3) = 0.99705
Activity of water = 1.000
Ionic strength = 2.002e-05
Mass of water (kg) = 1.000e+00
Total alkalinity (eq/kg) = 2.177e-05
Total carbon (mol/kg) = 0.000e+00
Total CO2 (mol/kg) = 0.000e+00
Temperature (deg C) = 25.000
Electrical balance (eq) = 2.710e-15
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00
Iterations = 13
Total H = 1.110124e+02
Total O = 5.550629e+01
----------------------------Distribution of species----------------------------
Log Log Log
Species Molality Activity Molality Activity Gamma
OH- 1.293e-05 1.286e-05 -4.888 -4.891 -0.002
H+ 7.822e-10 7.782e-10 -9.107 -9.109 -0.002
H2O 5.551e+01 1.000e+00 1.744 0.000 0.000
Al 5.851e-07
Al(OH)4- 5.849e-07 5.818e-07 -6.233 -6.235 -0.002
Al(OH)3 2.402e-10 2.402e-10 -9.619 -9.619 0.000
Al(OH)2+ 1.275e-12 1.269e-12 -11.894 -11.897 -0.002
AlOH+2 1.286e-16 1.260e-16 -15.891 -15.900 -0.009
Al+3 1.034e-20 9.870e-21 -19.985 -20.006 -0.020
H(0) 6.411e-40
H2 3.206e-40 3.206e-40 -39.494 -39.494 0.000
K 2.001e-05
K+ 2.001e-05 1.991e-05 -4.699 -4.701 -0.002
KOH 8.871e-11 8.872e-11 -10.052 -10.052 0.000
O(0) 8.113e-14
O2 4.057e-14 4.057e-14 -13.392 -13.392 0.000
Si 4.062e-05
H4SiO4 3.412e-05 3.412e-05 -4.467 -4.467 0.000
H3SiO4- 6.498e-06 6.464e-06 -5.187 -5.189 -0.002
H2SiO4-2 5.770e-10 5.651e-10 -9.239 -9.248 -0.009
------------------------------Saturation indices-------------------------------
Phase SI log IAP log KT
Al(OH)3(a) -3.48 7.32 10.80 Al(OH)3
Chalcedony -0.92 -4.47 -3.55 SiO2
Gibbsite -0.73 7.32 8.05 Al(OH)3
H2(g) -36.34 -39.49 -3.15 H2
H2O(g) -1.51 0.00 1.51 H2O
K-feldspar -2.55 -1.67 0.88 KAlSi3O8
K-mica 0.00 12.97 12.97 KAl3Si3O10(OH)2
Kaolinite 0.00 5.71 5.71 Al2Si2O5(OH)4
O2(g) -10.50 -13.39 -2.89 O2
Quartz -0.49 -4.47 -3.98 SiO2
SiO2(a) -1.76 -4.47 -2.71 SiO2
------------------
End of simulation.
------------------
------------------------------------
Reading input data for simulation 5.
------------------------------------
TITLE Example 6A4.--Find amount of K-feldspar dissolved to
reach K-feldspar saturation.
USE solution 1
EQUILIBRIUM_PHASES 1
Gibbsite 0.0 0.0
Kaolinite 0.0 0.0
K-mica 0.0 0.0
K-feldspar 0.0 KAlSi3O8 10.0
END
-----
TITLE
-----
Example 6A4.--Find amount of K-feldspar dissolved to
reach K-feldspar saturation.
-----------------------------------------
Beginning of batch-reaction calculations.
-----------------------------------------
Reaction step 1.
Using solution 1. PURE WATER
Using pure phase assemblage 1.
-------------------------------Phase assemblage--------------------------------
Moles in assemblage
Phase SI log IAP log KT Initial Final Delta
Gibbsite -2.00 6.05 8.05 0.000e+00 0 0.000e+00
K-feldspar 0.00 0.87 0.88
KAlSi3O8 is reactant 1.000e+01 1.000e+01 -1.909e-04
K-mica 0.00 12.97 12.97 0.000e+00 6.361e-05 6.361e-05
Kaolinite -0.72 4.99 5.71 0.000e+00 0 0.000e+00
-----------------------------Solution composition------------------------------
Elements Molality Moles
Al 5.990e-08 5.989e-08
K 1.273e-04 1.273e-04
Si 3.818e-04 3.818e-04
----------------------------Description of solution----------------------------
pH = 9.389 Charge balance
pe = 8.719 Adjusted to redox equilibrium
Specific Conductance (uS/cm, 25 oC) = 14
Density (g/cm3) = 0.99705
Activity of water = 1.000
Ionic strength = 1.273e-04
Mass of water (kg) = 1.000e+00
Total alkalinity (eq/kg) = 1.275e-04
Total carbon (mol/kg) = 0.000e+00
Total CO2 (mol/kg) = 0.000e+00
Temperature (deg C) = 25.000
Electrical balance (eq) = -3.063e-14
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00
Iterations = 15
Total H = 1.110123e+02
Total O = 5.550698e+01
----------------------------Distribution of species----------------------------
Log Log Log
Species Molality Activity Molality Activity Gamma
OH- 2.486e-05 2.453e-05 -4.605 -4.610 -0.006
H+ 4.133e-10 4.080e-10 -9.384 -9.389 -0.006
H2O 5.551e+01 1.000e+00 1.744 0.000 0.000
Al 5.990e-08
Al(OH)4- 5.988e-08 5.911e-08 -7.223 -7.228 -0.006
Al(OH)3 1.280e-11 1.280e-11 -10.893 -10.893 0.000
Al(OH)2+ 3.590e-14 3.544e-14 -13.445 -13.451 -0.006
AlOH+2 1.944e-18 1.845e-18 -17.711 -17.734 -0.023
Al+3 8.505e-23 7.579e-23 -22.070 -22.120 -0.050
H(0) 8.588e-40
H2 4.294e-40 4.294e-40 -39.367 -39.367 0.000
K 1.273e-04
K+ 1.273e-04 1.256e-04 -3.895 -3.901 -0.006
KOH 1.067e-09 1.067e-09 -8.972 -8.972 0.000
O(0) 4.521e-14
O2 2.261e-14 2.261e-14 -13.646 -13.646 0.000
Si 3.818e-04
H4SiO4 2.795e-04 2.795e-04 -3.554 -3.554 0.000
H3SiO4- 1.023e-04 1.010e-04 -3.990 -3.996 -0.006
H2SiO4-2 1.774e-08 1.684e-08 -7.751 -7.774 -0.023
------------------------------Saturation indices-------------------------------
Phase SI log IAP log KT
Al(OH)3(a) -4.75 6.05 10.80 Al(OH)3
Chalcedony 0.00 -3.55 -3.55 SiO2
Gibbsite -2.00 6.05 8.05 Al(OH)3
H2(g) -36.22 -39.37 -3.15 H2
H2O(g) -1.51 0.00 1.51 H2O
K-feldspar 0.00 0.87 0.88 KAlSi3O8
K-mica 0.00 12.97 12.97 KAl3Si3O10(OH)2
Kaolinite -0.72 4.99 5.71 Al2Si2O5(OH)4
O2(g) -10.75 -13.65 -2.89 O2
Quartz 0.43 -3.55 -3.98 SiO2
SiO2(a) -0.84 -3.55 -2.71 SiO2
------------------
End of simulation.
------------------
------------------------------------
Reading input data for simulation 6.
------------------------------------
TITLE Example 6A5.--Find point with kaolinite present,
but no gibbsite.
USE solution 1
EQUILIBRIUM_PHASES 1
Gibbsite 0.0 KAlSi3O8 10.0
Kaolinite 0.0 1.0
END
-----
TITLE
-----
Example 6A5.--Find point with kaolinite present,
but no gibbsite.
-----------------------------------------
Beginning of batch-reaction calculations.
-----------------------------------------
Reaction step 1.
Using solution 1. PURE WATER
Using pure phase assemblage 1.
-------------------------------Phase assemblage--------------------------------
Moles in assemblage
Phase SI log IAP log KT Initial Final Delta
Gibbsite 0.00 8.05 8.05
KAlSi3O8 is reactant 1.000e+01 1.000e+01 -3.023e-06
Kaolinite 0.00 5.71 5.71 1.000e+00 1.000e+00 1.237e-06
-----------------------------Solution composition------------------------------
Elements Molality Moles
Al 5.493e-07 5.493e-07
K 3.023e-06 3.023e-06
Si 6.596e-06 6.596e-06
----------------------------Description of solution----------------------------
pH = 8.354 Charge balance
pe = 9.786 Adjusted to redox equilibrium
Specific Conductance (uS/cm, 25 oC) = 0
Density (g/cm3) = 0.99705
Activity of water = 1.000
Ionic strength = 3.028e-06
Mass of water (kg) = 1.000e+00
Total alkalinity (eq/kg) = 4.671e-06
Total carbon (mol/kg) = 0.000e+00
Total CO2 (mol/kg) = 0.000e+00
Temperature (deg C) = 25.000
Electrical balance (eq) = -3.011e-18
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00
Iterations = 13
Total H = 1.110124e+02
Total O = 5.550623e+01
----------------------------Distribution of species----------------------------
Log Log Log
Species Molality Activity Molality Activity Gamma
OH- 2.267e-06 2.262e-06 -5.645 -5.646 -0.001
H+ 4.435e-09 4.426e-09 -8.353 -8.354 -0.001
H2O 5.551e+01 1.000e+00 1.744 0.000 0.000
Al 5.493e-07
Al(OH)4- 5.480e-07 5.469e-07 -6.261 -6.262 -0.001
Al(OH)3 1.284e-09 1.284e-09 -8.891 -8.891 0.000
Al(OH)2+ 3.865e-11 3.857e-11 -10.413 -10.414 -0.001
AlOH+2 2.196e-14 2.178e-14 -13.658 -13.662 -0.004
Al+3 9.882e-18 9.704e-18 -17.005 -17.013 -0.008
H(0) 7.444e-40
H2 3.722e-40 3.722e-40 -39.429 -39.429 0.000
K 3.023e-06
K+ 3.023e-06 3.017e-06 -5.520 -5.520 -0.001
KOH 2.364e-12 2.364e-12 -11.626 -11.626 0.000
O(0) 6.019e-14
O2 3.009e-14 3.009e-14 -13.522 -13.522 0.000
Si 6.596e-06
H4SiO4 6.383e-06 6.383e-06 -5.195 -5.195 0.000
H3SiO4- 2.131e-07 2.127e-07 -6.671 -6.672 -0.001
H2SiO4-2 3.295e-12 3.269e-12 -11.482 -11.486 -0.004
------------------------------Saturation indices-------------------------------
Phase SI log IAP log KT
Al(OH)3(a) -2.75 8.05 10.80 Al(OH)3
Chalcedony -1.64 -5.20 -3.55 SiO2
Gibbsite 0.00 8.05 8.05 Al(OH)3
H2(g) -36.28 -39.43 -3.15 H2
H2O(g) -1.51 0.00 1.51 H2O
K-feldspar -5.58 -4.70 0.88 KAlSi3O8
K-mica -1.57 11.40 12.97 KAl3Si3O10(OH)2
Kaolinite 0.00 5.71 5.71 Al2Si2O5(OH)4
O2(g) -10.63 -13.52 -2.89 O2
Quartz -1.21 -5.20 -3.98 SiO2
SiO2(a) -2.48 -5.20 -2.71 SiO2
------------------
End of simulation.
------------------
------------------------------------
Reading input data for simulation 7.
------------------------------------
TITLE Example 6A6.--Find point with K-mica present,
but no kaolinite
USE solution 1
EQUILIBRIUM_PHASES 1
Kaolinite 0.0 KAlSi3O8 10.0
K-mica 0.0 1.0
END
-----
TITLE
-----
Example 6A6.--Find point with K-mica present,
but no kaolinite
-----------------------------------------
Beginning of batch-reaction calculations.
-----------------------------------------
Reaction step 1.
Using solution 1. PURE WATER
Using pure phase assemblage 1.
-------------------------------Phase assemblage--------------------------------
Moles in assemblage
Phase SI log IAP log KT Initial Final Delta
K-mica 0.00 12.97 12.97 1.000e+00 1.000e+00 1.079e-05
Kaolinite 0.00 5.71 5.71
KAlSi3O8 is reactant 1.000e+01 1.000e+01 -3.268e-05
-----------------------------Solution composition------------------------------
Elements Molality Moles
Al 3.263e-07 3.263e-07
K 2.190e-05 2.190e-05
Si 6.569e-05 6.569e-05
----------------------------Description of solution----------------------------
pH = 9.070 Charge balance
pe = 8.836 Adjusted to redox equilibrium
Specific Conductance (uS/cm, 25 oC) = 3
Density (g/cm3) = 0.99705
Activity of water = 1.000
Ionic strength = 2.190e-05
Mass of water (kg) = 1.000e+00
Total alkalinity (eq/kg) = 2.288e-05
Total carbon (mol/kg) = 0.000e+00
Total CO2 (mol/kg) = 0.000e+00
Temperature (deg C) = 25.000
Electrical balance (eq) = -3.156e-18
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00
Iterations = 13
Total H = 1.110124e+02
Total O = 5.550635e+01
----------------------------Distribution of species----------------------------
Log Log Log
Species Molality Activity Molality Activity Gamma
OH- 1.183e-05 1.176e-05 -4.927 -4.930 -0.002
H+ 8.558e-10 8.512e-10 -9.068 -9.070 -0.002
H2O 5.551e+01 1.000e+00 1.744 0.000 0.000
Al 3.263e-07
Al(OH)4- 3.262e-07 3.244e-07 -6.487 -6.489 -0.002
Al(OH)3 1.465e-10 1.465e-10 -9.834 -9.834 0.000
Al(OH)2+ 8.509e-13 8.463e-13 -12.070 -12.072 -0.002
AlOH+2 9.393e-17 9.191e-17 -16.027 -16.037 -0.009
Al+3 8.269e-21 7.876e-21 -20.083 -20.104 -0.021
H(0) 2.179e-39
H2 1.089e-39 1.089e-39 -38.963 -38.963 0.000
K 2.190e-05
K+ 2.190e-05 2.178e-05 -4.660 -4.662 -0.002
KOH 8.871e-11 8.872e-11 -10.052 -10.052 0.000
O(0) 7.024e-15
O2 3.512e-15 3.512e-15 -14.454 -14.454 0.000
Si 6.569e-05
H4SiO4 5.595e-05 5.595e-05 -4.252 -4.252 0.000
H3SiO4- 9.745e-06 9.692e-06 -5.011 -5.014 -0.002
H2SiO4-2 7.916e-10 7.745e-10 -9.101 -9.111 -0.009
------------------------------Saturation indices-------------------------------
Phase SI log IAP log KT
Al(OH)3(a) -3.69 7.11 10.80 Al(OH)3
Chalcedony -0.70 -4.25 -3.55 SiO2
Gibbsite -0.94 7.11 8.05 Al(OH)3
H2(g) -35.81 -38.96 -3.15 H2
H2O(g) -1.51 0.00 1.51 H2O
K-feldspar -2.12 -1.24 0.88 KAlSi3O8
K-mica 0.00 12.97 12.97 KAl3Si3O10(OH)2
Kaolinite 0.00 5.71 5.71 Al2Si2O5(OH)4
O2(g) -11.56 -14.45 -2.89 O2
Quartz -0.27 -4.25 -3.98 SiO2
SiO2(a) -1.54 -4.25 -2.71 SiO2
------------------
End of simulation.
------------------
------------------------------------
Reading input data for simulation 8.
------------------------------------
TITLE Example 6B.--Path between phase boundaries.
USE solution 1
EQUILIBRIUM_PHASES 1
Kaolinite 0.0 0.0
Gibbsite 0.0 0.0
K-mica 0.0 0.0
K-feldspar 0.0 0.0
REACTION 1
K-feldspar 1.0
0.04 0.08 0.16 0.32 0.64 1.0 2.0 4.0
8.0 16.0 32.0 64.0 100 200 umol
END
-----
TITLE
-----
Example 6B.--Path between phase boundaries.
-----------------------------------------
Beginning of batch-reaction calculations.
-----------------------------------------
Reaction step 1.
Using solution 1. PURE WATER
Using pure phase assemblage 1.
Using reaction 1.
Reaction 1. Irreversible reaction defined in simulation 8.
4.000e-08 moles of the following reaction have been added:
Relative
Reactant moles
K-feldspar 1.00000
Relative
Element moles
Al 1.00000
K 1.00000
O 8.00000
Si 3.00000
-------------------------------Phase assemblage--------------------------------
Moles in assemblage
Phase SI log IAP log KT Initial Final Delta
Gibbsite 0.00 8.05 8.05 0.000e+00 1.187e-08 1.187e-08
K-feldspar -13.96 -13.08 0.88 0.000e+00 0 0.000e+00
K-mica -9.95 3.02 12.97 0.000e+00 0 0.000e+00
Kaolinite -3.45 2.25 5.71 0.000e+00 0 0.000e+00
-----------------------------Solution composition------------------------------
Elements Molality Moles
Al 2.813e-08 2.813e-08
K 4.000e-08 4.000e-08
Si 1.200e-07 1.200e-07
----------------------------Description of solution----------------------------
pH = 7.031 Charge balance
pe = 11.457 Adjusted to redox equilibrium
Specific Conductance (uS/cm, 25 oC) = 0
Density (g/cm3) = 0.99705
Activity of water = 1.000
Ionic strength = 1.339e-07
Mass of water (kg) = 1.000e+00
Total alkalinity (eq/kg) = 1.244e-07
Total carbon (mol/kg) = 0.000e+00
Total CO2 (mol/kg) = 0.000e+00
Temperature (deg C) = 25.000
Electrical balance (eq) = -2.760e-18
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00
Iterations = 9
Total H = 1.110124e+02
Total O = 5.550622e+01
----------------------------Distribution of species----------------------------
Log Log Log
Species Molality Activity Molality Activity Gamma
OH- 1.077e-07 1.076e-07 -6.968 -6.968 0.000
H+ 9.306e-08 9.302e-08 -7.031 -7.031 0.000
H2O 5.551e+01 1.000e+00 1.744 0.000 0.000
Al 2.813e-08
Al(OH)4- 2.603e-08 2.602e-08 -7.585 -7.585 0.000
Al(OH)3 1.284e-09 1.284e-09 -8.891 -8.891 0.000
Al(OH)2+ 8.110e-10 8.107e-10 -9.091 -9.091 0.000
AlOH+2 9.638e-12 9.621e-12 -11.016 -11.017 -0.001
Al+3 9.044e-14 9.009e-14 -13.044 -13.045 -0.002
H(0) 0.000e+00
H2 0.000e+00 0.000e+00 -40.127 -40.127 0.000
K 4.000e-08
K+ 4.000e-08 3.998e-08 -7.398 -7.398 0.000
KOH 1.490e-15 1.490e-15 -14.827 -14.827 0.000
O(0) 1.494e-12
O2 7.470e-13 7.470e-13 -12.127 -12.127 0.000
Si 1.200e-07
H4SiO4 1.198e-07 1.198e-07 -6.922 -6.922 0.000
H3SiO4- 1.900e-10 1.899e-10 -9.721 -9.721 0.000
H2SiO4-2 1.391e-16 1.389e-16 -15.857 -15.857 -0.001
------------------------------Saturation indices-------------------------------
Phase SI log IAP log KT
Al(OH)3(a) -2.75 8.05 10.80 Al(OH)3
Chalcedony -3.37 -6.92 -3.55 SiO2
Gibbsite 0.00 8.05 8.05 Al(OH)3
H2(g) -36.98 -40.13 -3.15 H2
H2O(g) -1.51 0.00 1.51 H2O
K-feldspar -13.96 -13.08 0.88 KAlSi3O8
K-mica -9.95 3.02 12.97 KAl3Si3O10(OH)2
Kaolinite -3.45 2.25 5.71 Al2Si2O5(OH)4
O2(g) -9.23 -12.13 -2.89 O2
Quartz -2.94 -6.92 -3.98 SiO2
SiO2(a) -4.21 -6.92 -2.71 SiO2
Reaction step 2.
Using solution 1. PURE WATER
Using pure phase assemblage 1.
Using reaction 1.
Reaction 1. Irreversible reaction defined in simulation 8.
8.000e-08 moles of the following reaction have been added:
Relative
Reactant moles
K-feldspar 1.00000
Relative
Element moles
Al 1.00000
K 1.00000
O 8.00000
Si 3.00000
-------------------------------Phase assemblage--------------------------------
Moles in assemblage
Phase SI log IAP log KT Initial Final Delta
Gibbsite 0.00 8.05 8.05 0.000e+00 4.713e-08 4.713e-08
K-feldspar -12.68 -11.80 0.88 0.000e+00 0 0.000e+00
K-mica -8.68 4.29 12.97 0.000e+00 0 0.000e+00
Kaolinite -2.85 2.86 5.71 0.000e+00 0 0.000e+00
-----------------------------Solution composition------------------------------
Elements Molality Moles
Al 3.287e-08 3.287e-08
K 8.000e-08 8.000e-08
Si 2.400e-07 2.400e-07
----------------------------Description of solution----------------------------
pH = 7.106 Charge balance
pe = 11.288 Adjusted to redox equilibrium
Specific Conductance (uS/cm, 25 oC) = 0
Density (g/cm3) = 0.99705
Activity of water = 1.000
Ionic strength = 1.591e-07
Mass of water (kg) = 1.000e+00
Total alkalinity (eq/kg) = 1.786e-07
Total carbon (mol/kg) = 0.000e+00
Total CO2 (mol/kg) = 0.000e+00
Temperature (deg C) = 25.000
Electrical balance (eq) = -3.119e-18
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00
Iterations = 10
Total H = 1.110124e+02
Total O = 5.550622e+01
----------------------------Distribution of species----------------------------
Log Log Log
Species Molality Activity Molality Activity Gamma
OH- 1.278e-07 1.277e-07 -6.894 -6.894 0.000
H+ 7.842e-08 7.838e-08 -7.106 -7.106 0.000
H2O 5.551e+01 1.000e+00 1.744 0.000 0.000
Al 3.287e-08
Al(OH)4- 3.089e-08 3.088e-08 -7.510 -7.510 0.000
Al(OH)3 1.284e-09 1.284e-09 -8.891 -8.891 0.000
Al(OH)2+ 6.834e-10 6.831e-10 -9.165 -9.166 0.000
AlOH+2 6.845e-12 6.832e-12 -11.165 -11.165 -0.001
Al+3 5.414e-14 5.391e-14 -13.267 -13.268 -0.002
H(0) 2.308e-40
H2 1.154e-40 1.154e-40 -39.938 -39.938 0.000
K 8.000e-08
K+ 8.000e-08 7.996e-08 -7.097 -7.097 0.000
KOH 3.537e-15 3.537e-15 -14.451 -14.451 0.000
O(0) 6.262e-13
O2 3.131e-13 3.131e-13 -12.504 -12.504 0.000
Si 2.400e-07
H4SiO4 2.395e-07 2.395e-07 -6.621 -6.621 0.000
H3SiO4- 4.508e-10 4.506e-10 -9.346 -9.346 0.000
H2SiO4-2 3.918e-16 3.911e-16 -15.407 -15.408 -0.001
------------------------------Saturation indices-------------------------------
Phase SI log IAP log KT
Al(OH)3(a) -2.75 8.05 10.80 Al(OH)3
Chalcedony -3.07 -6.62 -3.55 SiO2
Gibbsite 0.00 8.05 8.05 Al(OH)3
H2(g) -36.79 -39.94 -3.15 H2
H2O(g) -1.51 0.00 1.51 H2O
K-feldspar -12.68 -11.80 0.88 KAlSi3O8
K-mica -8.68 4.29 12.97 KAl3Si3O10(OH)2
Kaolinite -2.85 2.86 5.71 Al2Si2O5(OH)4
O2(g) -9.61 -12.50 -2.89 O2
Quartz -2.64 -6.62 -3.98 SiO2
SiO2(a) -3.91 -6.62 -2.71 SiO2
Reaction step 3.
Using solution 1. PURE WATER
Using pure phase assemblage 1.
Using reaction 1.
Reaction 1. Irreversible reaction defined in simulation 8.
1.600e-07 moles of the following reaction have been added:
Relative
Reactant moles
K-feldspar 1.00000
Relative
Element moles
Al 1.00000
K 1.00000
O 8.00000
Si 3.00000
-------------------------------Phase assemblage--------------------------------
Moles in assemblage
Phase SI log IAP log KT Initial Final Delta
Gibbsite 0.00 8.05 8.05 0.000e+00 1.160e-07 1.160e-07
K-feldspar -11.34 -10.47 0.88 0.000e+00 0 0.000e+00
K-mica -7.34 5.63 12.97 0.000e+00 0 0.000e+00
Kaolinite -2.25 3.46 5.71 0.000e+00 0 0.000e+00
-----------------------------Solution composition------------------------------
Elements Molality Moles
Al 4.398e-08 4.398e-08
K 1.600e-07 1.600e-07
Si 4.800e-07 4.800e-07
----------------------------Description of solution----------------------------
pH = 7.241 Charge balance
pe = 11.241 Adjusted to redox equilibrium
Specific Conductance (uS/cm, 25 oC) = 0
Density (g/cm3) = 0.99705
Activity of water = 1.000
Ionic strength = 2.179e-07
Mass of water (kg) = 1.000e+00
Total alkalinity (eq/kg) = 2.919e-07
Total carbon (mol/kg) = 0.000e+00
Total CO2 (mol/kg) = 0.000e+00
Temperature (deg C) = 25.000
Electrical balance (eq) = -3.322e-18
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00
Iterations = 10
Total H = 1.110124e+02
Total O = 5.550622e+01
----------------------------Distribution of species----------------------------
Log Log Log
Species Molality Activity Molality Activity Gamma
OH- 1.745e-07 1.744e-07 -6.758 -6.758 0.000
H+ 5.743e-08 5.740e-08 -7.241 -7.241 0.000
H2O 5.551e+01 1.000e+00 1.744 0.000 0.000
Al 4.398e-08
Al(OH)4- 4.219e-08 4.217e-08 -7.375 -7.375 0.000
Al(OH)3 1.284e-09 1.284e-09 -8.891 -8.891 0.000
Al(OH)2+ 5.005e-10 5.002e-10 -9.301 -9.301 0.000
AlOH+2 3.671e-12 3.663e-12 -11.435 -11.436 -0.001
Al+3 2.127e-14 2.117e-14 -13.672 -13.674 -0.002
H(0) 0.000e+00
H2 0.000e+00 0.000e+00 -40.113 -40.113 0.000
K 1.600e-07
K+ 1.600e-07 1.599e-07 -6.796 -6.796 0.000
KOH 9.661e-15 9.661e-15 -14.015 -14.015 0.000
O(0) 1.405e-12
O2 7.025e-13 7.025e-13 -12.153 -12.153 0.000
Si 4.800e-07
H4SiO4 4.788e-07 4.788e-07 -6.320 -6.320 0.000
H3SiO4- 1.231e-09 1.230e-09 -8.910 -8.910 0.000
H2SiO4-2 1.461e-15 1.458e-15 -14.835 -14.836 -0.001
------------------------------Saturation indices-------------------------------
Phase SI log IAP log KT
Al(OH)3(a) -2.75 8.05 10.80 Al(OH)3
Chalcedony -2.77 -6.32 -3.55 SiO2
Gibbsite 0.00 8.05 8.05 Al(OH)3
H2(g) -36.96 -40.11 -3.15 H2
H2O(g) -1.51 0.00 1.51 H2O
K-feldspar -11.34 -10.47 0.88 KAlSi3O8
K-mica -7.34 5.63 12.97 KAl3Si3O10(OH)2
Kaolinite -2.25 3.46 5.71 Al2Si2O5(OH)4
O2(g) -9.26 -12.15 -2.89 O2
Quartz -2.34 -6.32 -3.98 SiO2
SiO2(a) -3.61 -6.32 -2.71 SiO2
Reaction step 4.
Using solution 1. PURE WATER
Using pure phase assemblage 1.
Using reaction 1.
Reaction 1. Irreversible reaction defined in simulation 8.
3.200e-07 moles of the following reaction have been added:
Relative
Reactant moles
K-feldspar 1.00000
Relative
Element moles
Al 1.00000
K 1.00000
O 8.00000
Si 3.00000
-------------------------------Phase assemblage--------------------------------
Moles in assemblage
Phase SI log IAP log KT Initial Final Delta
Gibbsite 0.00 8.05 8.05 0.000e+00 2.499e-07 2.499e-07
K-feldspar -9.93 -9.05 0.88 0.000e+00 0 0.000e+00
K-mica -5.93 7.04 12.97 0.000e+00 0 0.000e+00
Kaolinite -1.65 4.06 5.71 0.000e+00 0 0.000e+00
-----------------------------Solution composition------------------------------
Elements Molality Moles
Al 7.007e-08 7.007e-08
K 3.200e-07 3.200e-07
Si 9.600e-07 9.600e-07
----------------------------Description of solution----------------------------
pH = 7.451 Charge balance
pe = 11.188 Adjusted to redox equilibrium
Specific Conductance (uS/cm, 25 oC) = 0
Density (g/cm3) = 0.99705
Activity of water = 1.000
Ionic strength = 3.557e-07
Mass of water (kg) = 1.000e+00
Total alkalinity (eq/kg) = 5.302e-07
Total carbon (mol/kg) = 0.000e+00
Total CO2 (mol/kg) = 0.000e+00
Temperature (deg C) = 25.000
Electrical balance (eq) = -1.281e-15
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00
Iterations = 10
Total H = 1.110124e+02
Total O = 5.550622e+01
----------------------------Distribution of species----------------------------
Log Log Log
Species Molality Activity Molality Activity Gamma
OH- 2.832e-07 2.830e-07 -6.548 -6.548 0.000
H+ 3.539e-08 3.537e-08 -7.451 -7.451 0.000
H2O 5.551e+01 1.000e+00 1.744 0.000 0.000
Al 7.007e-08
Al(OH)4- 6.848e-08 6.843e-08 -7.164 -7.165 0.000
Al(OH)3 1.284e-09 1.284e-09 -8.891 -8.891 0.000
Al(OH)2+ 3.085e-10 3.082e-10 -9.511 -9.511 0.000
AlOH+2 1.395e-12 1.391e-12 -11.855 -11.857 -0.001
Al+3 4.984e-15 4.953e-15 -14.302 -14.305 -0.003
H(0) 0.000e+00
H2 0.000e+00 0.000e+00 -40.429 -40.429 0.000
K 3.200e-07
K+ 3.200e-07 3.198e-07 -6.495 -6.495 0.000
KOH 3.135e-14 3.135e-14 -13.504 -13.504 0.000
O(0) 6.000e-12
O2 3.000e-12 3.000e-12 -11.523 -11.523 0.000
Si 9.600e-07
H4SiO4 9.560e-07 9.560e-07 -6.020 -6.020 0.000
H3SiO4- 3.988e-09 3.986e-09 -8.399 -8.400 0.000
H2SiO4-2 7.687e-15 7.665e-15 -14.114 -14.115 -0.001
------------------------------Saturation indices-------------------------------
Phase SI log IAP log KT
Al(OH)3(a) -2.75 8.05 10.80 Al(OH)3
Chalcedony -2.47 -6.02 -3.55 SiO2
Gibbsite 0.00 8.05 8.05 Al(OH)3
H2(g) -37.28 -40.43 -3.15 H2
H2O(g) -1.51 0.00 1.51 H2O
K-feldspar -9.93 -9.05 0.88 KAlSi3O8
K-mica -5.93 7.04 12.97 KAl3Si3O10(OH)2
Kaolinite -1.65 4.06 5.71 Al2Si2O5(OH)4
O2(g) -8.63 -11.52 -2.89 O2
Quartz -2.04 -6.02 -3.98 SiO2
SiO2(a) -3.31 -6.02 -2.71 SiO2
Reaction step 5.
Using solution 1. PURE WATER
Using pure phase assemblage 1.
Using reaction 1.
Reaction 1. Irreversible reaction defined in simulation 8.
6.400e-07 moles of the following reaction have been added:
Relative
Reactant moles
K-feldspar 1.00000
Relative
Element moles
Al 1.00000
K 1.00000
O 8.00000
Si 3.00000
-------------------------------Phase assemblage--------------------------------
Moles in assemblage
Phase SI log IAP log KT Initial Final Delta
Gibbsite 0.00 8.05 8.05 0.000e+00 5.130e-07 5.130e-07
K-feldspar -8.47 -7.59 0.88 0.000e+00 0 0.000e+00
K-mica -4.46 8.51 12.97 0.000e+00 0 0.000e+00
Kaolinite -1.05 4.66 5.71 0.000e+00 0 0.000e+00
-----------------------------Solution composition------------------------------
Elements Molality Moles
Al 1.270e-07 1.270e-07
K 6.400e-07 6.400e-07
Si 1.920e-06 1.920e-06
----------------------------Description of solution----------------------------
pH = 7.715 Charge balance
pe = 10.994 Adjusted to redox equilibrium
Specific Conductance (uS/cm, 25 oC) = 0
Density (g/cm3) = 0.99705
Activity of water = 1.000
Ionic strength = 6.595e-07
Mass of water (kg) = 1.000e+00
Total alkalinity (eq/kg) = 1.021e-06
Total carbon (mol/kg) = 0.000e+00
Total CO2 (mol/kg) = 0.000e+00
Temperature (deg C) = 25.000
Electrical balance (eq) = -5.096e-15
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00
Iterations = 10
Total H = 1.110124e+02
Total O = 5.550622e+01
----------------------------Distribution of species----------------------------
Log Log Log
Species Molality Activity Molality Activity Gamma
OH- 5.193e-07 5.189e-07 -6.285 -6.285 0.000
H+ 1.931e-08 1.929e-08 -7.714 -7.715 0.000
H2O 5.551e+01 1.000e+00 1.744 0.000 0.000
Al 1.270e-07
Al(OH)4- 1.256e-07 1.254e-07 -6.901 -6.902 0.000
Al(OH)3 1.284e-09 1.284e-09 -8.891 -8.891 0.000
Al(OH)2+ 1.683e-10 1.681e-10 -9.774 -9.774 0.000
AlOH+2 4.155e-13 4.139e-13 -12.381 -12.383 -0.002
Al+3 8.109e-16 8.040e-16 -15.091 -15.095 -0.004
H(0) 0.000e+00
H2 0.000e+00 0.000e+00 -40.567 -40.567 0.000
K 6.400e-07
K+ 6.400e-07 6.394e-07 -6.194 -6.194 0.000
KOH 1.149e-13 1.149e-13 -12.940 -12.940 0.000
O(0) 1.135e-11
O2 5.673e-12 5.673e-12 -11.246 -11.246 0.000
Si 1.920e-06
H4SiO4 1.905e-06 1.905e-06 -5.720 -5.720 0.000
H3SiO4- 1.458e-08 1.456e-08 -7.836 -7.837 0.000
H2SiO4-2 5.153e-14 5.134e-14 -13.288 -13.290 -0.002
------------------------------Saturation indices-------------------------------
Phase SI log IAP log KT
Al(OH)3(a) -2.75 8.05 10.80 Al(OH)3
Chalcedony -2.17 -5.72 -3.55 SiO2
Gibbsite 0.00 8.05 8.05 Al(OH)3
H2(g) -37.42 -40.57 -3.15 H2
H2O(g) -1.51 0.00 1.51 H2O
K-feldspar -8.47 -7.59 0.88 KAlSi3O8
K-mica -4.46 8.51 12.97 KAl3Si3O10(OH)2
Kaolinite -1.05 4.66 5.71 Al2Si2O5(OH)4
O2(g) -8.35 -11.25 -2.89 O2
Quartz -1.74 -5.72 -3.98 SiO2
SiO2(a) -3.01 -5.72 -2.71 SiO2
Reaction step 6.
Using solution 1. PURE WATER
Using pure phase assemblage 1.
Using reaction 1.
Reaction 1. Irreversible reaction defined in simulation 8.
1.000e-06 moles of the following reaction have been added:
Relative
Reactant moles
K-feldspar 1.00000
Relative
Element moles
Al 1.00000
K 1.00000
O 8.00000
Si 3.00000
-------------------------------Phase assemblage--------------------------------
Moles in assemblage
Phase SI log IAP log KT Initial Final Delta
Gibbsite 0.00 8.05 8.05 0.000e+00 8.081e-07 8.081e-07
K-feldspar -7.51 -6.64 0.88 0.000e+00 0 0.000e+00
K-mica -3.51 9.46 12.97 0.000e+00 0 0.000e+00
Kaolinite -0.67 5.04 5.71 0.000e+00 0 0.000e+00
-----------------------------Solution composition------------------------------
Elements Molality Moles
Al 1.919e-07 1.919e-07
K 1.000e-06 1.000e-06
Si 3.000e-06 3.000e-06
----------------------------Description of solution----------------------------
pH = 7.896 Charge balance
pe = 10.790 Adjusted to redox equilibrium
Specific Conductance (uS/cm, 25 oC) = 0
Density (g/cm3) = 0.99705
Activity of water = 1.000
Ionic strength = 1.013e-06
Mass of water (kg) = 1.000e+00
Total alkalinity (eq/kg) = 1.576e-06
Total carbon (mol/kg) = 0.000e+00
Total CO2 (mol/kg) = 0.000e+00
Temperature (deg C) = 25.000
Electrical balance (eq) = -2.467e-17
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00
Iterations = 11
Total H = 1.110124e+02
Total O = 5.550622e+01
----------------------------Distribution of species----------------------------
Log Log Log
Species Molality Activity Molality Activity Gamma
OH- 7.879e-07 7.870e-07 -6.104 -6.104 -0.001
H+ 1.274e-08 1.272e-08 -7.895 -7.896 -0.001
H2O 5.551e+01 1.000e+00 1.744 0.000 0.000
Al 1.919e-07
Al(OH)4- 1.905e-07 1.903e-07 -6.720 -6.721 -0.001
Al(OH)3 1.284e-09 1.284e-09 -8.891 -8.891 0.000
Al(OH)2+ 1.110e-10 1.109e-10 -9.955 -9.955 -0.001
AlOH+2 1.808e-13 1.799e-13 -12.743 -12.745 -0.002
Al+3 2.328e-16 2.304e-16 -15.633 -15.638 -0.005
H(0) 0.000e+00
H2 0.000e+00 0.000e+00 -40.520 -40.520 0.000
K 1.000e-06
K+ 1.000e-06 9.988e-07 -6.000 -6.001 -0.001
KOH 2.723e-13 2.723e-13 -12.565 -12.565 0.000
O(0) 9.161e-12
O2 4.580e-12 4.580e-12 -11.339 -11.339 0.000
Si 3.000e-06
H4SiO4 2.966e-06 2.966e-06 -5.528 -5.528 0.000
H3SiO4- 3.442e-08 3.438e-08 -7.463 -7.464 -0.001
H2SiO4-2 1.847e-13 1.838e-13 -12.734 -12.736 -0.002
------------------------------Saturation indices-------------------------------
Phase SI log IAP log KT
Al(OH)3(a) -2.75 8.05 10.80 Al(OH)3
Chalcedony -1.98 -5.53 -3.55 SiO2
Gibbsite 0.00 8.05 8.05 Al(OH)3
H2(g) -37.37 -40.52 -3.15 H2
H2O(g) -1.51 0.00 1.51 H2O
K-feldspar -7.51 -6.64 0.88 KAlSi3O8
K-mica -3.51 9.46 12.97 KAl3Si3O10(OH)2
Kaolinite -0.67 5.04 5.71 Al2Si2O5(OH)4
O2(g) -8.45 -11.34 -2.89 O2
Quartz -1.55 -5.53 -3.98 SiO2
SiO2(a) -2.82 -5.53 -2.71 SiO2
Reaction step 7.
Using solution 1. PURE WATER
Using pure phase assemblage 1.
Using reaction 1.
Reaction 1. Irreversible reaction defined in simulation 8.
2.000e-06 moles of the following reaction have been added:
Relative
Reactant moles
K-feldspar 1.00000
Relative
Element moles
Al 1.00000
K 1.00000
O 8.00000
Si 3.00000
-------------------------------Phase assemblage--------------------------------
Moles in assemblage
Phase SI log IAP log KT Initial Final Delta
Gibbsite 0.00 8.05 8.05 0.000e+00 1.633e-06 1.633e-06
K-feldspar -6.04 -5.17 0.88 0.000e+00 0 0.000e+00
K-mica -2.04 10.93 12.97 0.000e+00 0 0.000e+00
Kaolinite -0.07 5.64 5.71 0.000e+00 0 0.000e+00
-----------------------------Solution composition------------------------------
Elements Molality Moles
Al 3.666e-07 3.666e-07
K 2.000e-06 2.000e-06
Si 6.000e-06 6.000e-06
----------------------------Description of solution----------------------------
pH = 8.178 Charge balance
pe = 10.498 Adjusted to redox equilibrium
Specific Conductance (uS/cm, 25 oC) = 0
Density (g/cm3) = 0.99705
Activity of water = 1.000
Ionic strength = 2.007e-06
Mass of water (kg) = 1.000e+00
Total alkalinity (eq/kg) = 3.100e-06
Total carbon (mol/kg) = 0.000e+00
Total CO2 (mol/kg) = 0.000e+00
Temperature (deg C) = 25.000
Electrical balance (eq) = -3.118e-18
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00
Iterations = 12
Total H = 1.110124e+02
Total O = 5.550623e+01
----------------------------Distribution of species----------------------------
Log Log Log
Species Molality Activity Molality Activity Gamma
OH- 1.511e-06 1.508e-06 -5.821 -5.822 -0.001
H+ 6.648e-09 6.637e-09 -8.177 -8.178 -0.001
H2O 5.551e+01 1.000e+00 1.744 0.000 0.000
Al 3.666e-07
Al(OH)4- 3.653e-07 3.647e-07 -6.437 -6.438 -0.001
Al(OH)3 1.284e-09 1.284e-09 -8.891 -8.891 0.000
Al(OH)2+ 5.794e-11 5.784e-11 -10.237 -10.238 -0.001
AlOH+2 4.931e-14 4.898e-14 -13.307 -13.310 -0.003
Al+3 3.322e-17 3.273e-17 -16.479 -16.485 -0.006
H(0) 0.000e+00
H2 0.000e+00 0.000e+00 -40.501 -40.501 0.000
K 2.000e-06
K+ 2.000e-06 1.997e-06 -5.699 -5.700 -0.001
KOH 1.043e-12 1.043e-12 -11.982 -11.982 0.000
O(0) 8.387e-12
O2 4.194e-12 4.194e-12 -11.377 -11.377 0.000
Si 6.000e-06
H4SiO4 5.869e-06 5.869e-06 -5.231 -5.231 0.000
H3SiO4- 1.306e-07 1.304e-07 -6.884 -6.885 -0.001
H2SiO4-2 1.345e-12 1.336e-12 -11.871 -11.874 -0.003
------------------------------Saturation indices-------------------------------
Phase SI log IAP log KT
Al(OH)3(a) -2.75 8.05 10.80 Al(OH)3
Chalcedony -1.68 -5.23 -3.55 SiO2
Gibbsite 0.00 8.05 8.05 Al(OH)3
H2(g) -37.35 -40.50 -3.15 H2
H2O(g) -1.51 0.00 1.51 H2O
K-feldspar -6.04 -5.17 0.88 KAlSi3O8
K-mica -2.04 10.93 12.97 KAl3Si3O10(OH)2
Kaolinite -0.07 5.64 5.71 Al2Si2O5(OH)4
O2(g) -8.49 -11.38 -2.89 O2
Quartz -1.25 -5.23 -3.98 SiO2
SiO2(a) -2.52 -5.23 -2.71 SiO2
Reaction step 8.
Using solution 1. PURE WATER
Using pure phase assemblage 1.
Using reaction 1.
Reaction 1. Irreversible reaction defined in simulation 8.
4.000e-06 moles of the following reaction have been added:
Relative
Reactant moles
K-feldspar 1.00000
Relative
Element moles
Al 1.00000
K 1.00000
O 8.00000
Si 3.00000
-------------------------------Phase assemblage--------------------------------
Moles in assemblage
Phase SI log IAP log KT Initial Final Delta
Gibbsite -0.11 7.94 8.05 0.000e+00 0 0.000e+00
K-feldspar -5.11 -4.23 0.88 0.000e+00 0 0.000e+00
K-mica -1.32 11.65 12.97 0.000e+00 0 0.000e+00
Kaolinite 0.00 5.71 5.71 0.000e+00 1.712e-06 1.712e-06
-----------------------------Solution composition------------------------------
Elements Molality Moles
Al 5.761e-07 5.761e-07
K 4.000e-06 4.000e-06
Si 8.576e-06 8.576e-06
----------------------------Description of solution----------------------------
pH = 8.484 Charge balance
pe = 9.405 Adjusted to redox equilibrium
Specific Conductance (uS/cm, 25 oC) = 0
Density (g/cm3) = 0.99705
Activity of water = 1.000
Ionic strength = 4.003e-06
Mass of water (kg) = 1.000e+00
Total alkalinity (eq/kg) = 5.728e-06
Total carbon (mol/kg) = 0.000e+00
Total CO2 (mol/kg) = 0.000e+00
Temperature (deg C) = 25.000
Electrical balance (eq) = 2.084e-16
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00
Iterations = 12
Total H = 1.110124e+02
Total O = 5.550623e+01
----------------------------Distribution of species----------------------------
Log Log Log
Species Molality Activity Molality Activity Gamma
OH- 3.059e-06 3.051e-06 -5.514 -5.516 -0.001
H+ 3.288e-09 3.281e-09 -8.483 -8.484 -0.001
H2O 5.551e+01 1.000e+00 1.744 0.000 0.000
Al 5.761e-07
Al(OH)4- 5.751e-07 5.737e-07 -6.240 -6.241 -0.001
Al(OH)3 9.987e-10 9.987e-10 -9.001 -9.001 0.000
Al(OH)2+ 2.229e-11 2.224e-11 -10.652 -10.653 -0.001
AlOH+2 9.396e-15 9.309e-15 -14.027 -14.031 -0.004
Al+3 3.140e-18 3.074e-18 -17.503 -17.512 -0.009
H(0) 2.356e-39
H2 1.178e-39 1.178e-39 -38.929 -38.929 0.000
K 4.000e-06
K+ 4.000e-06 3.991e-06 -5.398 -5.399 -0.001
KOH 4.218e-12 4.218e-12 -11.375 -11.375 0.000
O(0) 6.008e-15
O2 3.004e-15 3.004e-15 -14.522 -14.522 0.000
Si 8.576e-06
H4SiO4 8.206e-06 8.206e-06 -5.086 -5.086 0.000
H3SiO4- 3.697e-07 3.688e-07 -6.432 -6.433 -0.001
H2SiO4-2 7.719e-12 7.647e-12 -11.112 -11.116 -0.004
------------------------------Saturation indices-------------------------------
Phase SI log IAP log KT
Al(OH)3(a) -2.86 7.94 10.80 Al(OH)3
Chalcedony -1.53 -5.09 -3.55 SiO2
Gibbsite -0.11 7.94 8.05 Al(OH)3
H2(g) -35.78 -38.93 -3.15 H2
H2O(g) -1.51 0.00 1.51 H2O
K-feldspar -5.11 -4.23 0.88 KAlSi3O8
K-mica -1.32 11.65 12.97 KAl3Si3O10(OH)2
Kaolinite 0.00 5.71 5.71 Al2Si2O5(OH)4
O2(g) -11.63 -14.52 -2.89 O2
Quartz -1.11 -5.09 -3.98 SiO2
SiO2(a) -2.37 -5.09 -2.71 SiO2
Reaction step 9.
Using solution 1. PURE WATER
Using pure phase assemblage 1.
Using reaction 1.
Reaction 1. Irreversible reaction defined in simulation 8.
8.000e-06 moles of the following reaction have been added:
Relative
Reactant moles
K-feldspar 1.00000
Relative
Element moles
Al 1.00000
K 1.00000
O 8.00000
Si 3.00000
-------------------------------Phase assemblage--------------------------------
Moles in assemblage
Phase SI log IAP log KT Initial Final Delta
Gibbsite -0.38 7.67 8.05 0.000e+00 0 0.000e+00
K-feldspar -3.97 -3.10 0.88 0.000e+00 0 0.000e+00
K-mica -0.73 12.24 12.97 0.000e+00 0 0.000e+00
Kaolinite 0.00 5.71 5.71 0.000e+00 3.695e-06 3.695e-06
-----------------------------Solution composition------------------------------
Elements Molality Moles
Al 6.110e-07 6.110e-07
K 8.000e-06 8.000e-06
Si 1.661e-05 1.661e-05
----------------------------Description of solution----------------------------
pH = 8.779 Charge balance
pe = 9.721 Adjusted to redox equilibrium
Specific Conductance (uS/cm, 25 oC) = 1
Density (g/cm3) = 0.99705
Activity of water = 1.000
Ionic strength = 8.002e-06
Mass of water (kg) = 1.000e+00
Total alkalinity (eq/kg) = 9.833e-06
Total carbon (mol/kg) = 0.000e+00
Total CO2 (mol/kg) = 0.000e+00
Temperature (deg C) = 25.000
Electrical balance (eq) = -5.173e-14
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00
Iterations = 12
Total H = 1.110124e+02
Total O = 5.550625e+01
----------------------------Distribution of species----------------------------
Log Log Log
Species Molality Activity Molality Activity Gamma
OH- 6.035e-06 6.015e-06 -5.219 -5.221 -0.001
H+ 1.670e-09 1.664e-09 -8.777 -8.779 -0.001
H2O 5.551e+01 1.000e+00 1.744 0.000 0.000
Al 6.110e-07
Al(OH)4- 6.105e-07 6.084e-07 -6.214 -6.216 -0.001
Al(OH)3 5.373e-10 5.373e-10 -9.270 -9.270 0.000
Al(OH)2+ 6.089e-12 6.069e-12 -11.215 -11.217 -0.001
AlOH+2 1.306e-15 1.289e-15 -14.884 -14.890 -0.006
Al+3 2.224e-19 2.159e-19 -18.653 -18.666 -0.013
H(0) 0.000e+00
H2 0.000e+00 0.000e+00 -40.150 -40.150 0.000
K 8.000e-06
K+ 8.000e-06 7.974e-06 -5.097 -5.098 -0.001
KOH 1.661e-11 1.661e-11 -10.780 -10.780 0.000
O(0) 1.663e-12
O2 8.313e-13 8.313e-13 -12.080 -12.080 0.000
Si 1.661e-05
H4SiO4 1.525e-05 1.525e-05 -4.817 -4.817 0.000
H3SiO4- 1.356e-06 1.352e-06 -5.868 -5.869 -0.001
H2SiO4-2 5.598e-11 5.524e-11 -10.252 -10.258 -0.006
------------------------------Saturation indices-------------------------------
Phase SI log IAP log KT
Al(OH)3(a) -3.13 7.67 10.80 Al(OH)3
Chalcedony -1.27 -4.82 -3.55 SiO2
Gibbsite -0.38 7.67 8.05 Al(OH)3
H2(g) -37.00 -40.15 -3.15 H2
H2O(g) -1.51 0.00 1.51 H2O
K-feldspar -3.97 -3.10 0.88 KAlSi3O8
K-mica -0.73 12.24 12.97 KAl3Si3O10(OH)2
Kaolinite 0.00 5.71 5.71 Al2Si2O5(OH)4
O2(g) -9.19 -12.08 -2.89 O2
Quartz -0.84 -4.82 -3.98 SiO2
SiO2(a) -2.10 -4.82 -2.71 SiO2
Reaction step 10.
Using solution 1. PURE WATER
Using pure phase assemblage 1.
Using reaction 1.
Reaction 1. Irreversible reaction defined in simulation 8.
1.600e-05 moles of the following reaction have been added:
Relative
Reactant moles
K-feldspar 1.00000
Relative
Element moles
Al 1.00000
K 1.00000
O 8.00000
Si 3.00000
-------------------------------Phase assemblage--------------------------------
Moles in assemblage
Phase SI log IAP log KT Initial Final Delta
Gibbsite -0.64 7.41 8.05 0.000e+00 0 0.000e+00
K-feldspar -2.89 -2.01 0.88 0.000e+00 0 0.000e+00
K-mica -0.17 12.80 12.97 0.000e+00 0 0.000e+00
Kaolinite 0.00 5.71 5.71 0.000e+00 7.701e-06 7.701e-06
-----------------------------Solution composition------------------------------
Elements Molality Moles
Al 5.987e-07 5.987e-07
K 1.600e-05 1.600e-05
Si 3.260e-05 3.260e-05
----------------------------Description of solution----------------------------
pH = 9.035 Charge balance
pe = 8.801 Adjusted to redox equilibrium
Specific Conductance (uS/cm, 25 oC) = 3
Density (g/cm3) = 0.99705
Activity of water = 1.000
Ionic strength = 1.600e-05
Mass of water (kg) = 1.000e+00
Total alkalinity (eq/kg) = 1.780e-05
Total carbon (mol/kg) = 0.000e+00
Total CO2 (mol/kg) = 0.000e+00
Temperature (deg C) = 25.000
Electrical balance (eq) = 1.422e-16
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00
Iterations = 14
Total H = 1.110124e+02
Total O = 5.550628e+01
----------------------------Distribution of species----------------------------
Log Log Log
Species Molality Activity Molality Activity Gamma
OH- 1.089e-05 1.084e-05 -4.963 -4.965 -0.002
H+ 9.275e-10 9.232e-10 -9.033 -9.035 -0.002
H2O 5.551e+01 1.000e+00 1.744 0.000 0.000
Al 5.987e-07
Al(OH)4- 5.984e-07 5.956e-07 -6.223 -6.225 -0.002
Al(OH)3 2.918e-10 2.918e-10 -9.535 -9.535 0.000
Al(OH)2+ 1.837e-12 1.828e-12 -11.736 -11.738 -0.002
AlOH+2 2.194e-16 2.153e-16 -15.659 -15.667 -0.008
Al+3 2.087e-20 2.001e-20 -19.681 -19.699 -0.018
H(0) 3.011e-39
H2 1.505e-39 1.505e-39 -38.822 -38.822 0.000
K 1.600e-05
K+ 1.600e-05 1.593e-05 -4.796 -4.798 -0.002
KOH 5.981e-11 5.981e-11 -10.223 -10.223 0.000
O(0) 3.679e-15
O2 1.840e-15 1.840e-15 -14.735 -14.735 0.000
Si 3.260e-05
H4SiO4 2.809e-05 2.809e-05 -4.551 -4.551 0.000
H3SiO4- 4.508e-06 4.487e-06 -5.346 -5.348 -0.002
H2SiO4-2 3.368e-10 3.306e-10 -9.473 -9.481 -0.008
------------------------------Saturation indices-------------------------------
Phase SI log IAP log KT
Al(OH)3(a) -3.39 7.41 10.80 Al(OH)3
Chalcedony -1.00 -4.55 -3.55 SiO2
Gibbsite -0.64 7.41 8.05 Al(OH)3
H2(g) -35.67 -38.82 -3.15 H2
H2O(g) -1.51 0.00 1.51 H2O
K-feldspar -2.89 -2.01 0.88 KAlSi3O8
K-mica -0.17 12.80 12.97 KAl3Si3O10(OH)2
Kaolinite 0.00 5.71 5.71 Al2Si2O5(OH)4
O2(g) -11.84 -14.74 -2.89 O2
Quartz -0.57 -4.55 -3.98 SiO2
SiO2(a) -1.84 -4.55 -2.71 SiO2
Reaction step 11.
Using solution 1. PURE WATER
Using pure phase assemblage 1.
Using reaction 1.
Reaction 1. Irreversible reaction defined in simulation 8.
3.200e-05 moles of the following reaction have been added:
Relative
Reactant moles
K-feldspar 1.00000
Relative
Element moles
Al 1.00000
K 1.00000
O 8.00000
Si 3.00000
-------------------------------Phase assemblage--------------------------------
Moles in assemblage
Phase SI log IAP log KT Initial Final Delta
Gibbsite -0.93 7.12 8.05 0.000e+00 0 0.000e+00
K-feldspar -2.14 -1.26 0.88 0.000e+00 0 0.000e+00
K-mica 0.00 12.97 12.97 0.000e+00 1.020e-05 1.020e-05
Kaolinite 0.00 5.71 5.71 0.000e+00 5.270e-07 5.270e-07
-----------------------------Solution composition------------------------------
Elements Molality Moles
Al 3.349e-07 3.349e-07
K 2.180e-05 2.180e-05
Si 6.434e-05 6.433e-05
----------------------------Description of solution----------------------------
pH = 9.072 Charge balance
pe = 8.861 Adjusted to redox equilibrium
Specific Conductance (uS/cm, 25 oC) = 3
Density (g/cm3) = 0.99705
Activity of water = 1.000
Ionic strength = 2.180e-05
Mass of water (kg) = 1.000e+00
Total alkalinity (eq/kg) = 2.280e-05
Total carbon (mol/kg) = 0.000e+00
Total CO2 (mol/kg) = 0.000e+00
Temperature (deg C) = 25.000
Electrical balance (eq) = -3.048e-18
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00
Iterations = 15
Total H = 1.110124e+02
Total O = 5.550635e+01
----------------------------Distribution of species----------------------------
Log Log Log
Species Molality Activity Molality Activity Gamma
OH- 1.188e-05 1.182e-05 -4.925 -4.928 -0.002
H+ 8.519e-10 8.473e-10 -9.070 -9.072 -0.002
H2O 5.551e+01 1.000e+00 1.744 0.000 0.000
Al 3.349e-07
Al(OH)4- 3.348e-07 3.330e-07 -6.475 -6.478 -0.002
Al(OH)3 1.497e-10 1.497e-10 -9.825 -9.825 0.000
Al(OH)2+ 8.654e-13 8.607e-13 -12.063 -12.065 -0.002
AlOH+2 9.510e-17 9.305e-17 -16.022 -16.031 -0.009
Al+3 8.332e-21 7.937e-21 -20.079 -20.100 -0.021
H(0) 1.931e-39
H2 9.654e-40 9.654e-40 -39.015 -39.015 0.000
K 2.180e-05
K+ 2.180e-05 2.168e-05 -4.662 -4.664 -0.002
KOH 8.871e-11 8.872e-11 -10.052 -10.052 0.000
O(0) 8.945e-15
O2 4.472e-15 4.472e-15 -14.349 -14.349 0.000
Si 6.434e-05
H4SiO4 5.475e-05 5.475e-05 -4.262 -4.262 0.000
H3SiO4- 9.581e-06 9.529e-06 -5.019 -5.021 -0.002
H2SiO4-2 7.819e-10 7.650e-10 -9.107 -9.116 -0.009
------------------------------Saturation indices-------------------------------
Phase SI log IAP log KT
Al(OH)3(a) -3.68 7.12 10.80 Al(OH)3
Chalcedony -0.71 -4.26 -3.55 SiO2
Gibbsite -0.93 7.12 8.05 Al(OH)3
H2(g) -35.87 -39.02 -3.15 H2
H2O(g) -1.51 0.00 1.51 H2O
K-feldspar -2.14 -1.26 0.88 KAlSi3O8
K-mica 0.00 12.97 12.97 KAl3Si3O10(OH)2
Kaolinite 0.00 5.71 5.71 Al2Si2O5(OH)4
O2(g) -11.46 -14.35 -2.89 O2
Quartz -0.28 -4.26 -3.98 SiO2
SiO2(a) -1.55 -4.26 -2.71 SiO2
Reaction step 12.
Using solution 1. PURE WATER
Using pure phase assemblage 1.
Using reaction 1.
Reaction 1. Irreversible reaction defined in simulation 8.
6.400e-05 moles of the following reaction have been added:
Relative
Reactant moles
K-feldspar 1.00000
Relative
Element moles
Al 1.00000
K 1.00000
O 8.00000
Si 3.00000
-------------------------------Phase assemblage--------------------------------
Moles in assemblage
Phase SI log IAP log KT Initial Final Delta
Gibbsite -1.35 6.69 8.05 0.000e+00 0 0.000e+00
K-feldspar -1.29 -0.42 0.88 0.000e+00 0 0.000e+00
K-mica 0.00 12.97 12.97 0.000e+00 2.127e-05 2.127e-05
Kaolinite -0.30 5.41 5.71 0.000e+00 0 0.000e+00
-----------------------------Solution composition------------------------------
Elements Molality Moles
Al 1.812e-07 1.812e-07
K 4.273e-05 4.273e-05
Si 1.282e-04 1.282e-04
----------------------------Description of solution----------------------------
pH = 9.225 Charge balance
pe = 8.837 Adjusted to redox equilibrium
Specific Conductance (uS/cm, 25 oC) = 6
Density (g/cm3) = 0.99705
Activity of water = 1.000
Ionic strength = 4.273e-05
Mass of water (kg) = 1.000e+00
Total alkalinity (eq/kg) = 4.327e-05
Total carbon (mol/kg) = 0.000e+00
Total CO2 (mol/kg) = 0.000e+00
Temperature (deg C) = 25.000
Electrical balance (eq) = -1.591e-13
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00
Iterations = 13
Total H = 1.110124e+02
Total O = 5.550647e+01
----------------------------Distribution of species----------------------------
Log Log Log
Species Molality Activity Molality Activity Gamma
OH- 1.694e-05 1.681e-05 -4.771 -4.774 -0.003
H+ 5.999e-10 5.954e-10 -9.222 -9.225 -0.003
H2O 5.551e+01 1.000e+00 1.744 0.000 0.000
Al 1.812e-07
Al(OH)4- 1.812e-07 1.798e-07 -6.742 -6.745 -0.003
Al(OH)3 5.680e-11 5.680e-11 -10.246 -10.246 0.000
Al(OH)2+ 2.313e-13 2.295e-13 -12.636 -12.639 -0.003
AlOH+2 1.797e-17 1.744e-17 -16.745 -16.759 -0.013
Al+3 1.118e-21 1.045e-21 -20.951 -20.981 -0.029
H(0) 1.061e-39
H2 5.305e-40 5.305e-40 -39.275 -39.275 0.000
K 4.273e-05
K+ 4.273e-05 4.240e-05 -4.369 -4.373 -0.003
KOH 2.469e-10 2.469e-10 -9.607 -9.607 0.000
O(0) 2.963e-14
O2 1.481e-14 1.481e-14 -13.829 -13.829 0.000
Si 1.282e-04
H4SiO4 1.026e-04 1.026e-04 -3.989 -3.989 0.000
H3SiO4- 2.560e-05 2.540e-05 -4.592 -4.595 -0.003
H2SiO4-2 2.992e-09 2.902e-09 -8.524 -8.537 -0.013
------------------------------Saturation indices-------------------------------
Phase SI log IAP log KT
Al(OH)3(a) -4.11 6.69 10.80 Al(OH)3
Chalcedony -0.44 -3.99 -3.55 SiO2
Gibbsite -1.35 6.69 8.05 Al(OH)3
H2(g) -36.13 -39.28 -3.15 H2
H2O(g) -1.51 0.00 1.51 H2O
K-feldspar -1.29 -0.42 0.88 KAlSi3O8
K-mica 0.00 12.97 12.97 KAl3Si3O10(OH)2
Kaolinite -0.30 5.41 5.71 Al2Si2O5(OH)4
O2(g) -10.94 -13.83 -2.89 O2
Quartz -0.01 -3.99 -3.98 SiO2
SiO2(a) -1.28 -3.99 -2.71 SiO2
Reaction step 13.
Using solution 1. PURE WATER
Using pure phase assemblage 1.
Using reaction 1.
Reaction 1. Irreversible reaction defined in simulation 8.
1.000e-04 moles of the following reaction have been added:
Relative
Reactant moles
K-feldspar 1.00000
Relative
Element moles
Al 1.00000
K 1.00000
O 8.00000
Si 3.00000
-------------------------------Phase assemblage--------------------------------
Moles in assemblage
Phase SI log IAP log KT Initial Final Delta
Gibbsite -1.62 6.43 8.05 0.000e+00 0 0.000e+00
K-feldspar -0.76 0.11 0.88 0.000e+00 0 0.000e+00
K-mica 0.00 12.97 12.97 0.000e+00 3.329e-05 3.329e-05
Kaolinite -0.48 5.23 5.71 0.000e+00 0 0.000e+00
-----------------------------Solution composition------------------------------
Elements Molality Moles
Al 1.179e-07 1.179e-07
K 6.671e-05 6.671e-05
Si 2.001e-04 2.001e-04
----------------------------Description of solution----------------------------
pH = 9.305 Charge balance
pe = 8.570 Adjusted to redox equilibrium
Specific Conductance (uS/cm, 25 oC) = 8
Density (g/cm3) = 0.99705
Activity of water = 1.000
Ionic strength = 6.671e-05
Mass of water (kg) = 1.000e+00
Total alkalinity (eq/kg) = 6.706e-05
Total carbon (mol/kg) = 0.000e+00
Total CO2 (mol/kg) = 0.000e+00
Temperature (deg C) = 25.000
Electrical balance (eq) = 2.477e-14
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00
Iterations = 16
Total H = 1.110124e+02
Total O = 5.550662e+01
----------------------------Distribution of species----------------------------
Log Log Log
Species Molality Activity Molality Activity Gamma
OH- 2.038e-05 2.019e-05 -4.691 -4.695 -0.004
H+ 5.006e-10 4.959e-10 -9.301 -9.305 -0.004
H2O 5.551e+01 1.000e+00 1.744 0.000 0.000
Al 1.179e-07
Al(OH)4- 1.179e-07 1.167e-07 -6.929 -6.933 -0.004
Al(OH)3 3.072e-11 3.072e-11 -10.513 -10.513 0.000
Al(OH)2+ 1.044e-13 1.034e-13 -12.981 -12.985 -0.004
AlOH+2 6.796e-18 6.543e-18 -17.168 -17.184 -0.016
Al+3 3.554e-22 3.267e-22 -21.449 -21.486 -0.037
H(0) 2.523e-39
H2 1.261e-39 1.261e-39 -38.899 -38.899 0.000
K 6.671e-05
K+ 6.671e-05 6.608e-05 -4.176 -4.180 -0.004
KOH 4.620e-10 4.620e-10 -9.335 -9.335 0.000
O(0) 5.240e-15
O2 2.620e-15 2.620e-15 -14.582 -14.582 0.000
Si 2.001e-04
H4SiO4 1.539e-04 1.539e-04 -3.813 -3.813 0.000
H3SiO4- 4.620e-05 4.576e-05 -4.335 -4.339 -0.004
H2SiO4-2 6.519e-09 6.277e-09 -8.186 -8.202 -0.016
------------------------------Saturation indices-------------------------------
Phase SI log IAP log KT
Al(OH)3(a) -4.37 6.43 10.80 Al(OH)3
Chalcedony -0.26 -3.81 -3.55 SiO2
Gibbsite -1.62 6.43 8.05 Al(OH)3
H2(g) -35.75 -38.90 -3.15 H2
H2O(g) -1.51 0.00 1.51 H2O
K-feldspar -0.76 0.11 0.88 KAlSi3O8
K-mica 0.00 12.97 12.97 KAl3Si3O10(OH)2
Kaolinite -0.48 5.23 5.71 Al2Si2O5(OH)4
O2(g) -11.69 -14.58 -2.89 O2
Quartz 0.17 -3.81 -3.98 SiO2
SiO2(a) -1.10 -3.81 -2.71 SiO2
Reaction step 14.
Using solution 1. PURE WATER
Using pure phase assemblage 1.
Using reaction 1.
Reaction 1. Irreversible reaction defined in simulation 8.
2.000e-04 moles of the following reaction have been added:
Relative
Reactant moles
K-feldspar 1.00000
Relative
Element moles
Al 1.00000
K 1.00000
O 8.00000
Si 3.00000
-------------------------------Phase assemblage--------------------------------
Moles in assemblage
Phase SI log IAP log KT Initial Final Delta
Gibbsite -2.00 6.05 8.05 0.000e+00 0 0.000e+00
K-feldspar 0.00 0.88 0.88 0.000e+00 9.120e-06 9.120e-06
K-mica 0.00 12.97 12.97 0.000e+00 6.361e-05 6.361e-05
Kaolinite -0.72 4.99 5.71 0.000e+00 0 0.000e+00
-----------------------------Solution composition------------------------------
Elements Molality Moles
Al 5.990e-08 5.989e-08
K 1.273e-04 1.273e-04
Si 3.818e-04 3.818e-04
----------------------------Description of solution----------------------------
pH = 9.389 Charge balance
pe = 8.924 Adjusted to redox equilibrium
Specific Conductance (uS/cm, 25 oC) = 14
Density (g/cm3) = 0.99705
Activity of water = 1.000
Ionic strength = 1.273e-04
Mass of water (kg) = 1.000e+00
Total alkalinity (eq/kg) = 1.275e-04
Total carbon (mol/kg) = 0.000e+00
Total CO2 (mol/kg) = 0.000e+00
Temperature (deg C) = 25.000
Electrical balance (eq) = 2.058e-15
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00
Iterations = 15
Total H = 1.110123e+02
Total O = 5.550698e+01
----------------------------Distribution of species----------------------------
Log Log Log
Species Molality Activity Molality Activity Gamma
OH- 2.486e-05 2.453e-05 -4.605 -4.610 -0.006
H+ 4.133e-10 4.080e-10 -9.384 -9.389 -0.006
H2O 5.551e+01 1.000e+00 1.744 0.000 0.000
Al 5.990e-08
Al(OH)4- 5.988e-08 5.911e-08 -7.223 -7.228 -0.006
Al(OH)3 1.280e-11 1.280e-11 -10.893 -10.893 0.000
Al(OH)2+ 3.590e-14 3.544e-14 -13.445 -13.451 -0.006
AlOH+2 1.944e-18 1.845e-18 -17.711 -17.734 -0.023
Al+3 8.505e-23 7.579e-23 -22.070 -22.120 -0.050
H(0) 3.352e-40
H2 1.676e-40 1.676e-40 -39.776 -39.776 0.000
K 1.273e-04
K+ 1.273e-04 1.256e-04 -3.895 -3.901 -0.006
KOH 1.067e-09 1.067e-09 -8.972 -8.972 0.000
O(0) 2.967e-13
O2 1.484e-13 1.484e-13 -12.829 -12.829 0.000
Si 3.818e-04
H4SiO4 2.795e-04 2.795e-04 -3.554 -3.554 0.000
H3SiO4- 1.023e-04 1.010e-04 -3.990 -3.996 -0.006
H2SiO4-2 1.774e-08 1.684e-08 -7.751 -7.774 -0.023
------------------------------Saturation indices-------------------------------
Phase SI log IAP log KT
Al(OH)3(a) -4.75 6.05 10.80 Al(OH)3
Chalcedony 0.00 -3.55 -3.55 SiO2
Gibbsite -2.00 6.05 8.05 Al(OH)3
H2(g) -36.63 -39.78 -3.15 H2
H2O(g) -1.51 0.00 1.51 H2O
K-feldspar 0.00 0.88 0.88 KAlSi3O8
K-mica 0.00 12.97 12.97 KAl3Si3O10(OH)2
Kaolinite -0.72 4.99 5.71 Al2Si2O5(OH)4
O2(g) -9.94 -12.83 -2.89 O2
Quartz 0.43 -3.55 -3.98 SiO2
SiO2(a) -0.84 -3.55 -2.71 SiO2
------------------
End of simulation.
------------------
------------------------------------
Reading input data for simulation 9.
------------------------------------
TITLE Example 6C.--kinetic calculation
SOLUTION 1
units mol/kgw
Al 1.e-13
K 1.e-13
Si 3.e-13
EQUILIBRIUM_PHASES 1
Gibbsite 0.0 0.0
Kaolinite 0.0 0.0
K-mica 0.0 0.0
KINETICS 1
K-feldspar
parms 1.36e-11
m0 2.16
m 1.94
step_divide 1e-6
steps 1e2 1e3 1e4 1e5 1e6 1e7 1e8
INCREMENTAL_REACTIONS true
RATES
K-feldspar
start
10 REM store the initial amount of K-feldspar
20 IF EXISTS(1) = 0 THEN PUT(M, 1)
30 REM calculate moles of reaction
40 SR_kfld = SR("K-feldspar")
50 moles = PARM(1) * (M/M0)^0.67 * (1 - SR_kfld) * TIME
60 REM The following is for printout of phase transitions
80 REM Start Gibbsite
90 if ABS(SI("Gibbsite")) > 1e-3 THEN GOTO 150
100 i = 2
110 GOSUB 1500
150 REM Start Gibbsite -> Kaolinite
160 if ABS(SI("Kaolinite")) > 1e-3 THEN GOTO 200
170 i = 3
180 GOSUB 1500
200 REM End Gibbsite -> Kaolinite
210 if ABS(SI("Kaolinite")) > 1e-3 OR EQUI("Gibbsite") > 0 THEN GOTO 250
220 i = 4
230 GOSUB 1500
250 REM Start Kaolinite -> K-mica
260 if ABS(SI("K-mica")) > 1e-3 THEN GOTO 300
270 i = 5
280 GOSUB 1500
300 REM End Kaolinite -> K-mica
310 if ABS(SI("K-mica")) > 1e-3 OR EQUI("Kaolinite") > 0 THEN GOTO 350
320 i = 6
330 GOSUB 1500
350 REM Start K-mica -> K-feldspar
360 if ABS(SI("K-feldspar")) > 1e-3 THEN GOTO 1000
370 i = 7
380 GOSUB 1500
1000 SAVE moles
1010 END
1500 REM subroutine to store data
1510 if GET(i) >= M THEN RETURN
1520 PUT(M, i)
1530 PUT(TOTAL_TIME, i, 1)
1540 PUT(LA("K+")-LA("H+"), i, 2)
1550 PUT(LA("H4SiO4"), i, 3)
1560 RETURN
end
USER_PRINT
10 DATA "A: Gibbsite ", "B: Gibbsite -> Kaolinite ", "C: Gibbsite -> Kaolinite ", "D: Kaolinite -> K-mica ", "E: Kaolinite -> K-mica ", "F: K-mica -> K-feldspar"
20 PRINT " Transition Time K-feldspar LA(K/H) LA(H4SiO4)"
30 PRINT " reacted"
40 PRINT " (moles)"
50 FOR i = 2 TO 7
60 READ s$
70 IF EXISTS(i) THEN PRINT s$, GET(i,1), GET(1) - GET(i), GET(i,2), GET(i,3)
80 NEXT i
SELECTED_OUTPUT
file ex6C.sel
reset false
USER_PUNCH
heading pH+log[K] log[H4SiO4]
10 PUNCH LA("K+")-LA("H+") LA("H4SiO4")
END
-----
TITLE
-----
Example 6C.--kinetic calculation
-------------------------------------------
Beginning of initial solution calculations.
-------------------------------------------
Initial solution 1.
----------------------------------User print-----------------------------------
Transition Time K-feldspar LA(K/H) LA(H4SiO4)
reacted
(moles)
-----------------------------Solution composition------------------------------
Elements Molality Moles
Al 1.000e-13 1.000e-13
K 1.000e-13 1.000e-13
Si 3.000e-13 3.000e-13
----------------------------Description of solution----------------------------
pH = 7.000
pe = 4.000
Specific Conductance (uS/cm, 25 oC) = 0
Density (g/cm3) = 0.99705
Activity of water = 1.000
Ionic strength = 1.001e-07
Mass of water (kg) = 1.000e+00
Total alkalinity (eq/kg) = 1.086e-10
Total carbon (mol/kg) = 0.000e+00
Total CO2 (mol/kg) = 0.000e+00
Temperature (deg C) = 25.000
Electrical balance (eq) = -1.082e-10
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.05
Iterations = 3
Total H = 1.110124e+02
Total O = 5.550622e+01
----------------------------Distribution of species----------------------------
Log Log Log
Species Molality Activity Molality Activity Gamma
OH- 1.001e-07 1.001e-07 -6.999 -7.000 0.000
H+ 1.000e-07 1.000e-07 -7.000 -7.000 0.000
H2O 5.551e+01 1.000e+00 1.744 0.000 0.000
Al 1.000e-13
Al(OH)4- 9.178e-14 9.175e-14 -13.037 -13.037 0.000
Al(OH)3 4.868e-15 4.868e-15 -14.313 -14.313 0.000
Al(OH)2+ 3.305e-15 3.304e-15 -14.481 -14.481 0.000
AlOH+2 4.222e-17 4.215e-17 -16.375 -16.375 -0.001
Al+3 4.258e-19 4.244e-19 -18.371 -18.372 -0.001
H(0) 1.416e-25
H2 7.079e-26 7.079e-26 -25.150 -25.150 0.000
K 1.000e-13
K+ 1.000e-13 9.996e-14 -13.000 -13.000 0.000
KOH 3.466e-21 3.466e-21 -20.460 -20.460 0.000
O(0) 0.000e+00
O2 0.000e+00 0.000e+00 -42.080 -42.080 0.000
Si 3.000e-13
H4SiO4 2.996e-13 2.996e-13 -12.524 -12.524 0.000
H3SiO4- 4.419e-16 4.417e-16 -15.355 -15.355 0.000
H2SiO4-2 3.009e-22 3.005e-22 -21.522 -21.522 -0.001
------------------------------Saturation indices-------------------------------
Phase SI log IAP log KT
Al(OH)3(a) -8.17 2.63 10.80 Al(OH)3
Chalcedony -8.97 -12.52 -3.55 SiO2
Gibbsite -5.42 2.63 8.05 Al(OH)3
H2(g) -22.00 -25.15 -3.15 H2
H2O(g) -1.51 0.00 1.51 H2O
K-feldspar -41.82 -40.94 0.88 KAlSi3O8
K-mica -48.66 -35.69 12.97 KAl3Si3O10(OH)2
Kaolinite -25.50 -19.79 5.71 Al2Si2O5(OH)4
O2(g) -39.19 -42.08 -2.89 O2
Quartz -8.54 -12.52 -3.98 SiO2
SiO2(a) -9.81 -12.52 -2.71 SiO2
-----------------------------------------
Beginning of batch-reaction calculations.
-----------------------------------------
Reaction step 1.
Using solution 1.
Using pure phase assemblage 1.
Using kinetics 1. Kinetics defined in simulation 9.
Kinetics 1. Kinetics defined in simulation 9.
Time step: 100 seconds (Incremented time: 100 seconds)
Rate name Delta Moles Total Moles Reactant Coefficient
K-feldspar -1.266e-09 1.940e+00 K-feldspar 1
----------------------------------User print-----------------------------------
Transition Time K-feldspar LA(K/H) LA(H4SiO4)
reacted
(moles)
-------------------------------Phase assemblage--------------------------------
Moles in assemblage
Phase SI log IAP log KT Initial Final Delta
Gibbsite -1.32 6.73 8.05 0.000e+00 0 0.000e+00
K-mica -19.94 -6.97 12.97 0.000e+00 0 0.000e+00
Kaolinite -9.09 -3.38 5.71 0.000e+00 0 0.000e+00
-----------------------------Solution composition------------------------------
Elements Molality Moles
Al 1.266e-09 1.266e-09
K 1.266e-09 1.266e-09
Si 3.797e-09 3.797e-09
----------------------------Description of solution----------------------------
pH = 7.000 Charge balance
pe = 11.072 Adjusted to redox equilibrium
Specific Conductance (uS/cm, 25 oC) = 0
Density (g/cm3) = 0.99705
Activity of water = 1.000
Ionic strength = 1.013e-07
Mass of water (kg) = 1.000e+00
Total alkalinity (eq/kg) = 5.171e-09
Total carbon (mol/kg) = 0.000e+00
Total CO2 (mol/kg) = 0.000e+00
Temperature (deg C) = 25.000
Electrical balance (eq) = -1.082e-10
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.05
Iterations = 34
Total H = 1.110124e+02
Total O = 5.550622e+01
----------------------------Distribution of species----------------------------
Log Log Log
Species Molality Activity Molality Activity Gamma
OH- 1.002e-07 1.002e-07 -6.999 -6.999 0.000
H+ 9.997e-08 9.993e-08 -7.000 -7.000 0.000
H2O 5.551e+01 1.000e+00 1.744 0.000 0.000
Al 1.266e-09
Al(OH)4- 1.162e-09 1.161e-09 -8.935 -8.935 0.000
Al(OH)3 6.157e-11 6.157e-11 -10.211 -10.211 0.000
Al(OH)2+ 4.178e-11 4.176e-11 -10.379 -10.379 0.000
AlOH+2 5.332e-13 5.324e-13 -12.273 -12.274 -0.001
Al+3 5.375e-15 5.356e-15 -14.270 -14.271 -0.001
H(0) 1.016e-39
H2 5.080e-40 5.080e-40 -39.294 -39.294 0.000
K 1.266e-09
K+ 1.266e-09 1.265e-09 -8.898 -8.898 0.000
KOH 4.390e-17 4.390e-17 -16.358 -16.358 0.000
O(0) 3.230e-14
O2 1.615e-14 1.615e-14 -13.792 -13.792 0.000
Si 3.797e-09
H4SiO4 3.791e-09 3.791e-09 -8.421 -8.421 0.000
H3SiO4- 5.596e-12 5.594e-12 -11.252 -11.252 0.000
H2SiO4-2 3.814e-18 3.808e-18 -17.419 -17.419 -0.001
------------------------------Saturation indices-------------------------------
Phase SI log IAP log KT
Al(OH)3(a) -4.07 6.73 10.80 Al(OH)3
Chalcedony -4.87 -8.42 -3.55 SiO2
Gibbsite -1.32 6.73 8.05 Al(OH)3
H2(g) -36.14 -39.29 -3.15 H2
H2O(g) -1.51 0.00 1.51 H2O
K-feldspar -21.31 -20.43 0.88 KAlSi3O8
K-mica -19.94 -6.97 12.97 KAl3Si3O10(OH)2
Kaolinite -9.09 -3.38 5.71 Al2Si2O5(OH)4
O2(g) -10.90 -13.79 -2.89 O2
Quartz -4.44 -8.42 -3.98 SiO2
SiO2(a) -5.71 -8.42 -2.71 SiO2
Reaction step 2.
Using solution 1.
Using pure phase assemblage 1.
Using kinetics 1. Kinetics defined in simulation 9.
Kinetics 1. Kinetics defined in simulation 9.
Time step: 1000 seconds (Incremented time: 1100 seconds)
Rate name Delta Moles Total Moles Reactant Coefficient
K-feldspar -1.266e-08 1.940e+00 K-feldspar 1
----------------------------------User print-----------------------------------
Transition Time K-feldspar LA(K/H) LA(H4SiO4)
reacted
(moles)
-------------------------------Phase assemblage--------------------------------
Moles in assemblage
Phase SI log IAP log KT Initial Final Delta
Gibbsite -0.28 7.77 8.05 0.000e+00 0 0.000e+00
K-mica -12.66 0.31 12.97 0.000e+00 0 0.000e+00
Kaolinite -4.93 0.78 5.71 0.000e+00 0 0.000e+00
-----------------------------Solution composition------------------------------
Elements Molality Moles
Al 1.392e-08 1.392e-08
K 1.392e-08 1.392e-08
Si 4.176e-08 4.176e-08
----------------------------Description of solution----------------------------
pH = 7.003 Charge balance
pe = 11.083 Adjusted to redox equilibrium
Specific Conductance (uS/cm, 25 oC) = 0
Density (g/cm3) = 0.99705
Activity of water = 1.000
Ionic strength = 1.137e-07
Mass of water (kg) = 1.000e+00
Total alkalinity (eq/kg) = 5.579e-08
Total carbon (mol/kg) = 0.000e+00
Total CO2 (mol/kg) = 0.000e+00
Temperature (deg C) = 25.000
Electrical balance (eq) = -1.082e-10
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.05
Iterations = 9
Total H = 1.110124e+02
Total O = 5.550622e+01
----------------------------Distribution of species----------------------------
Log Log Log
Species Molality Activity Molality Activity Gamma
OH- 1.009e-07 1.009e-07 -6.996 -6.996 0.000
H+ 9.928e-08 9.924e-08 -7.003 -7.003 0.000
H2O 5.551e+01 1.000e+00 1.744 0.000 0.000
Al 1.392e-08
Al(OH)4- 1.279e-08 1.278e-08 -7.893 -7.893 0.000
Al(OH)3 6.731e-10 6.731e-10 -9.172 -9.172 0.000
Al(OH)2+ 4.535e-10 4.533e-10 -9.343 -9.344 0.000
AlOH+2 5.749e-12 5.740e-12 -11.240 -11.241 -0.001
Al+3 5.755e-14 5.734e-14 -13.240 -13.242 -0.002
H(0) 9.530e-40
H2 4.765e-40 4.765e-40 -39.322 -39.322 0.000
K 1.392e-08
K+ 1.392e-08 1.392e-08 -7.856 -7.856 0.000
KOH 4.862e-16 4.862e-16 -15.313 -15.313 0.000
O(0) 3.672e-14
O2 1.836e-14 1.836e-14 -13.736 -13.736 0.000
Si 4.176e-08
H4SiO4 4.170e-08 4.170e-08 -7.380 -7.380 0.000
H3SiO4- 6.199e-11 6.196e-11 -10.208 -10.208 0.000
H2SiO4-2 4.254e-17 4.247e-17 -16.371 -16.372 -0.001
------------------------------Saturation indices-------------------------------
Phase SI log IAP log KT
Al(OH)3(a) -3.03 7.77 10.80 Al(OH)3
Chalcedony -3.83 -7.38 -3.55 SiO2
Gibbsite -0.28 7.77 8.05 Al(OH)3
H2(g) -36.17 -39.32 -3.15 H2
H2O(g) -1.51 0.00 1.51 H2O
K-feldspar -16.10 -15.22 0.88 KAlSi3O8
K-mica -12.66 0.31 12.97 KAl3Si3O10(OH)2
Kaolinite -4.93 0.78 5.71 Al2Si2O5(OH)4
O2(g) -10.84 -13.74 -2.89 O2
Quartz -3.40 -7.38 -3.98 SiO2
SiO2(a) -4.67 -7.38 -2.71 SiO2
Reaction step 3.
Using solution 1.
Using pure phase assemblage 1.
Using kinetics 1. Kinetics defined in simulation 9.
Kinetics 1. Kinetics defined in simulation 9.
Time step: 10000 seconds (Incremented time: 11100 seconds)
Rate name Delta Moles Total Moles Reactant Coefficient
K-feldspar -1.266e-07 1.940e+00 K-feldspar 1
----------------------------------User print-----------------------------------
Transition Time K-feldspar LA(K/H) LA(H4SiO4)
reacted
(moles)
A: Gibbsite 1100 1.4048e-07 3.5755e-01 -6.3763e+00
-------------------------------Phase assemblage--------------------------------
Moles in assemblage
Phase SI log IAP log KT Initial Final Delta
Gibbsite 0.00 8.05 8.05 0.000e+00 9.936e-08 9.936e-08
K-mica -7.59 5.38 12.97 0.000e+00 0 0.000e+00
Kaolinite -2.36 3.35 5.71 0.000e+00 0 0.000e+00
-----------------------------Solution composition------------------------------
Elements Molality Moles
Al 4.111e-08 4.111e-08
K 1.405e-07 1.405e-07
Si 4.214e-07 4.214e-07
----------------------------Description of solution----------------------------
pH = 7.210 Charge balance
pe = 10.845 Adjusted to redox equilibrium
Specific Conductance (uS/cm, 25 oC) = 0
Density (g/cm3) = 0.99705
Activity of water = 1.000
Ionic strength = 2.027e-07
Mass of water (kg) = 1.000e+00
Total alkalinity (eq/kg) = 2.639e-07
Total carbon (mol/kg) = 0.000e+00
Total CO2 (mol/kg) = 0.000e+00
Temperature (deg C) = 25.000
Electrical balance (eq) = -1.082e-10
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.03
Iterations = 10
Total H = 1.110124e+02
Total O = 5.550622e+01
----------------------------Distribution of species----------------------------
Log Log Log
Species Molality Activity Molality Activity Gamma
OH- 1.625e-07 1.624e-07 -6.789 -6.789 0.000
H+ 6.167e-08 6.164e-08 -7.210 -7.210 0.000
H2O 5.551e+01 1.000e+00 1.744 0.000 0.000
Al 4.111e-08
Al(OH)4- 3.929e-08 3.927e-08 -7.406 -7.406 0.000
Al(OH)3 1.284e-09 1.284e-09 -8.891 -8.891 0.000
Al(OH)2+ 5.374e-10 5.372e-10 -9.270 -9.270 0.000
AlOH+2 4.233e-12 4.224e-12 -11.373 -11.374 -0.001
Al+3 2.634e-14 2.621e-14 -13.579 -13.582 -0.002
H(0) 1.100e-39
H2 5.498e-40 5.498e-40 -39.260 -39.260 0.000
K 1.405e-07
K+ 1.405e-07 1.404e-07 -6.852 -6.853 0.000
KOH 7.899e-15 7.899e-15 -14.102 -14.102 0.000
O(0) 2.758e-14
O2 1.379e-14 1.379e-14 -13.860 -13.860 0.000
Si 4.214e-07
H4SiO4 4.204e-07 4.204e-07 -6.376 -6.376 0.000
H3SiO4- 1.006e-09 1.006e-09 -8.997 -8.997 0.000
H2SiO4-2 1.112e-15 1.110e-15 -14.954 -14.955 -0.001
------------------------------Saturation indices-------------------------------
Phase SI log IAP log KT
Al(OH)3(a) -2.75 8.05 10.80 Al(OH)3
Chalcedony -2.82 -6.38 -3.55 SiO2
Gibbsite 0.00 8.05 8.05 Al(OH)3
H2(g) -36.11 -39.26 -3.15 H2
H2O(g) -1.51 0.00 1.51 H2O
K-feldspar -11.60 -10.72 0.88 KAlSi3O8
K-mica -7.59 5.38 12.97 KAl3Si3O10(OH)2
Kaolinite -2.36 3.35 5.71 Al2Si2O5(OH)4
O2(g) -10.97 -13.86 -2.89 O2
Quartz -2.40 -6.38 -3.98 SiO2
SiO2(a) -3.66 -6.38 -2.71 SiO2
Reaction step 4.
Using solution 1.
Using pure phase assemblage 1.
Using kinetics 1. Kinetics defined in simulation 9.
Kinetics 1. Kinetics defined in simulation 9.
Time step: 100000 seconds (Incremented time: 111100 seconds)
Rate name Delta Moles Total Moles Reactant Coefficient
K-feldspar -1.266e-06 1.940e+00 K-feldspar 1
----------------------------------User print-----------------------------------
Transition Time K-feldspar LA(K/H) LA(H4SiO4)
reacted
(moles)
A: Gibbsite 1100 1.4048e-07 3.5755e-01 -6.3763e+00
-------------------------------Phase assemblage--------------------------------
Moles in assemblage
Phase SI log IAP log KT Initial Final Delta
Gibbsite 0.00 8.05 8.05 9.936e-08 1.142e-06 1.043e-06
K-mica -2.79 10.18 12.97 0.000e+00 0 0.000e+00
Kaolinite -0.37 5.33 5.71 0.000e+00 0 0.000e+00
-----------------------------Solution composition------------------------------
Elements Molality Moles
Al 2.640e-07 2.640e-07
K 1.406e-06 1.406e-06
Si 4.218e-06 4.218e-06
----------------------------Description of solution----------------------------
pH = 8.035 Charge balance
pe = 10.092 Adjusted to redox equilibrium
Specific Conductance (uS/cm, 25 oC) = 0
Density (g/cm3) = 0.99705
Activity of water = 1.000
Ionic strength = 1.415e-06
Mass of water (kg) = 1.000e+00
Total alkalinity (eq/kg) = 2.198e-06
Total carbon (mol/kg) = 0.000e+00
Total CO2 (mol/kg) = 0.000e+00
Temperature (deg C) = 25.000
Electrical balance (eq) = -1.082e-10
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00
Iterations = 67
Total H = 1.110124e+02
Total O = 5.550622e+01
----------------------------Distribution of species----------------------------
Log Log Log
Species Molality Activity Molality Activity Gamma
OH- 1.086e-06 1.085e-06 -5.964 -5.965 -0.001
H+ 9.240e-09 9.228e-09 -8.034 -8.035 -0.001
H2O 5.551e+01 1.000e+00 1.744 0.000 0.000
Al 2.640e-07
Al(OH)4- 2.626e-07 2.623e-07 -6.581 -6.581 -0.001
Al(OH)3 1.284e-09 1.284e-09 -8.891 -8.891 0.000
Al(OH)2+ 8.053e-11 8.042e-11 -10.094 -10.095 -0.001
AlOH+2 9.521e-14 9.468e-14 -13.021 -13.024 -0.002
Al+3 8.906e-17 8.796e-17 -16.050 -16.056 -0.005
H(0) 7.899e-40
H2 3.950e-40 3.950e-40 -39.403 -39.403 0.000
K 1.406e-06
K+ 1.406e-06 1.404e-06 -5.852 -5.853 -0.001
KOH 5.276e-13 5.276e-13 -12.278 -12.278 0.000
O(0) 5.344e-14
O2 2.672e-14 2.672e-14 -13.573 -13.573 0.000
Si 4.218e-06
H4SiO4 4.152e-06 4.152e-06 -5.382 -5.382 0.000
H3SiO4- 6.643e-08 6.634e-08 -7.178 -7.178 -0.001
H2SiO4-2 4.918e-13 4.890e-13 -12.308 -12.311 -0.002
------------------------------Saturation indices-------------------------------
Phase SI log IAP log KT
Al(OH)3(a) -2.75 8.05 10.80 Al(OH)3
Chalcedony -1.83 -5.38 -3.55 SiO2
Gibbsite 0.00 8.05 8.05 Al(OH)3
H2(g) -36.25 -39.40 -3.15 H2
H2O(g) -1.51 0.00 1.51 H2O
K-feldspar -6.79 -5.91 0.88 KAlSi3O8
K-mica -2.79 10.18 12.97 KAl3Si3O10(OH)2
Kaolinite -0.37 5.33 5.71 Al2Si2O5(OH)4
O2(g) -10.68 -13.57 -2.89 O2
Quartz -1.40 -5.38 -3.98 SiO2
SiO2(a) -2.67 -5.38 -2.71 SiO2
Reaction step 5.
Using solution 1.
Using pure phase assemblage 1.
Using kinetics 1. Kinetics defined in simulation 9.
Kinetics 1. Kinetics defined in simulation 9.
Time step: 1e+06 seconds (Incremented time: 1.1111e+06 seconds)
Rate name Delta Moles Total Moles Reactant Coefficient
K-feldspar -1.265e-05 1.940e+00 K-feldspar 1
----------------------------------User print-----------------------------------
Transition Time K-feldspar LA(K/H) LA(H4SiO4)
reacted
(moles)
A: Gibbsite 1100 1.4048e-07 3.5755e-01 -6.3763e+00
B: Gibbsite -> Kaolinite 1.7434e+05 2.2064e-06 2.5609e+00 -5.1950e+00
C: Gibbsite -> Kaolinite 2.3929e+05 3.0284e-06 2.8352e+00 -5.1943e+00
-------------------------------Phase assemblage--------------------------------
Moles in assemblage
Phase SI log IAP log KT Initial Final Delta
Gibbsite -0.59 7.45 8.05 1.142e-06 0 -1.142e-06
K-mica -0.27 12.70 12.97 0.000e+00 0 0.000e+00
Kaolinite 0.00 5.71 5.71 0.000e+00 6.727e-06 6.727e-06
-----------------------------Solution composition------------------------------
Elements Molality Moles
Al 6.045e-07 6.045e-07
K 1.406e-05 1.406e-05
Si 2.872e-05 2.872e-05
----------------------------Description of solution----------------------------
pH = 8.990 Charge balance
pe = 9.180 Adjusted to redox equilibrium
Specific Conductance (uS/cm, 25 oC) = 2
Density (g/cm3) = 0.99705
Activity of water = 1.000
Ionic strength = 1.406e-05
Mass of water (kg) = 1.000e+00
Total alkalinity (eq/kg) = 1.587e-05
Total carbon (mol/kg) = 0.000e+00
Total CO2 (mol/kg) = 0.000e+00
Temperature (deg C) = 25.000
Electrical balance (eq) = -1.082e-10
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00
Iterations = 468
Total H = 1.110124e+02
Total O = 5.550627e+01
----------------------------Distribution of species----------------------------
Log Log Log
Species Molality Activity Molality Activity Gamma
OH- 9.825e-06 9.782e-06 -5.008 -5.010 -0.002
H+ 1.028e-09 1.023e-09 -8.988 -8.990 -0.002
H2O 5.551e+01 1.000e+00 1.744 0.000 0.000
Al 6.045e-07
Al(OH)4- 6.042e-07 6.015e-07 -6.219 -6.221 -0.002
Al(OH)3 3.266e-10 3.266e-10 -9.486 -9.486 0.000
Al(OH)2+ 2.279e-12 2.269e-12 -11.642 -11.644 -0.002
AlOH+2 3.015e-16 2.963e-16 -15.521 -15.528 -0.008
Al+3 3.174e-20 3.052e-20 -19.498 -19.515 -0.017
H(0) 6.471e-40
H2 3.235e-40 3.235e-40 -39.490 -39.490 0.000
K 1.406e-05
K+ 1.406e-05 1.400e-05 -4.852 -4.854 -0.002
KOH 4.742e-11 4.742e-11 -10.324 -10.324 0.000
O(0) 7.965e-14
O2 3.982e-14 3.982e-14 -13.400 -13.400 0.000
Si 2.872e-05
H4SiO4 2.509e-05 2.509e-05 -4.600 -4.600 0.000
H3SiO4- 3.631e-06 3.615e-06 -5.440 -5.442 -0.002
H2SiO4-2 2.445e-10 2.403e-10 -9.612 -9.619 -0.008
------------------------------Saturation indices-------------------------------
Phase SI log IAP log KT
Al(OH)3(a) -3.35 7.45 10.80 Al(OH)3
Chalcedony -1.05 -4.60 -3.55 SiO2
Gibbsite -0.59 7.45 8.05 Al(OH)3
H2(g) -36.34 -39.49 -3.15 H2
H2O(g) -1.51 0.00 1.51 H2O
K-feldspar -3.09 -2.21 0.88 KAlSi3O8
K-mica -0.27 12.70 12.97 KAl3Si3O10(OH)2
Kaolinite 0.00 5.71 5.71 Al2Si2O5(OH)4
O2(g) -10.51 -13.40 -2.89 O2
Quartz -0.62 -4.60 -3.98 SiO2
SiO2(a) -1.89 -4.60 -2.71 SiO2
Reaction step 6.
Using solution 1.
Using pure phase assemblage 1.
Using kinetics 1. Kinetics defined in simulation 9.
Kinetics 1. Kinetics defined in simulation 9.
Time step: 1e+07 seconds (Incremented time: 1.11111e+07 seconds)
Rate name Delta Moles Total Moles Reactant Coefficient
K-feldspar -1.126e-04 1.940e+00 K-feldspar 1
----------------------------------User print-----------------------------------
Transition Time K-feldspar LA(K/H) LA(H4SiO4)
reacted
(moles)
A: Gibbsite 1100 1.4048e-07 3.5755e-01 -6.3763e+00
B: Gibbsite -> Kaolinite 1.7434e+05 2.2064e-06 2.5609e+00 -5.1950e+00
C: Gibbsite -> Kaolinite 2.3929e+05 3.0284e-06 2.8352e+00 -5.1943e+00
D: Kaolinite -> K-mica 1.5869e+06 2.0070e-05 4.4080e+00 -4.4659e+00
E: Kaolinite -> K-mica 2.5972e+06 3.2791e-05 4.4103e+00 -4.2509e+00
-------------------------------Phase assemblage--------------------------------
Moles in assemblage
Phase SI log IAP log KT Initial Final Delta
Gibbsite -1.76 6.29 8.05 0.000e+00 0 0.000e+00
K-mica 0.00 12.97 12.97 0.000e+00 4.218e-05 4.218e-05
Kaolinite -0.57 5.14 5.71 6.727e-06 0 -6.727e-06
-----------------------------Solution composition------------------------------
Elements Molality Moles
Al 9.274e-08 9.274e-08
K 8.444e-05 8.444e-05
Si 2.533e-04 2.533e-04
----------------------------Description of solution----------------------------
pH = 9.339 Charge balance
pe = 9.157 Adjusted to redox equilibrium
Specific Conductance (uS/cm, 25 oC) = 10
Density (g/cm3) = 0.99705
Activity of water = 1.000
Ionic strength = 8.445e-05
Mass of water (kg) = 1.000e+00
Total alkalinity (eq/kg) = 8.472e-05
Total carbon (mol/kg) = 0.000e+00
Total CO2 (mol/kg) = 0.000e+00
Temperature (deg C) = 25.000
Electrical balance (eq) = -1.113e-10
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00
Iterations = 3217
Total H = 1.110123e+02
Total O = 5.550672e+01
----------------------------Distribution of species----------------------------
Log Log Log
Species Molality Activity Molality Activity Gamma
OH- 2.211e-05 2.187e-05 -4.655 -4.660 -0.005
H+ 4.625e-10 4.577e-10 -9.335 -9.339 -0.005
H2O 5.551e+01 1.000e+00 1.744 0.000 0.000
Al 9.274e-08
Al(OH)4- 9.272e-08 9.174e-08 -7.033 -7.037 -0.005
Al(OH)3 2.228e-11 2.228e-11 -10.652 -10.652 0.000
Al(OH)2+ 6.994e-14 6.920e-14 -13.155 -13.160 -0.005
AlOH+2 4.217e-18 4.041e-18 -17.375 -17.393 -0.018
Al+3 2.046e-22 1.862e-22 -21.689 -21.730 -0.041
H(0) 0.000e+00
H2 0.000e+00 0.000e+00 -40.142 -40.142 0.000
K 8.444e-05
K+ 8.444e-05 8.355e-05 -4.073 -4.078 -0.005
KOH 6.329e-10 6.329e-10 -9.199 -9.199 0.000
O(0) 1.603e-12
O2 8.015e-13 8.015e-13 -12.096 -12.096 0.000
Si 2.533e-04
H4SiO4 1.911e-04 1.911e-04 -3.719 -3.719 0.000
H3SiO4- 6.222e-05 6.157e-05 -4.206 -4.211 -0.005
H2SiO4-2 9.548e-09 9.150e-09 -8.020 -8.039 -0.018
------------------------------Saturation indices-------------------------------
Phase SI log IAP log KT
Al(OH)3(a) -4.51 6.29 10.80 Al(OH)3
Chalcedony -0.17 -3.72 -3.55 SiO2
Gibbsite -1.76 6.29 8.05 Al(OH)3
H2(g) -36.99 -40.14 -3.15 H2
H2O(g) -1.51 0.00 1.51 H2O
K-feldspar -0.48 0.39 0.88 KAlSi3O8
K-mica 0.00 12.97 12.97 KAl3Si3O10(OH)2
Kaolinite -0.57 5.14 5.71 Al2Si2O5(OH)4
O2(g) -9.20 -12.10 -2.89 O2
Quartz 0.26 -3.72 -3.98 SiO2
SiO2(a) -1.01 -3.72 -2.71 SiO2
Reaction step 7.
Using solution 1.
Using pure phase assemblage 1.
Using kinetics 1. Kinetics defined in simulation 9.
Kinetics 1. Kinetics defined in simulation 9.
Time step: 1e+08 seconds (Incremented time: 1.11111e+08 seconds)
Rate name Delta Moles Total Moles Reactant Coefficient
K-feldspar -6.426e-05 1.940e+00 K-feldspar 1
----------------------------------User print-----------------------------------
Transition Time K-feldspar LA(K/H) LA(H4SiO4)
reacted
(moles)
A: Gibbsite 1100 1.4048e-07 3.5755e-01 -6.3763e+00
B: Gibbsite -> Kaolinite 1.7434e+05 2.2064e-06 2.5609e+00 -5.1950e+00
C: Gibbsite -> Kaolinite 2.3929e+05 3.0284e-06 2.8352e+00 -5.1943e+00
D: Kaolinite -> K-mica 1.5869e+06 2.0070e-05 4.4080e+00 -4.4659e+00
E: Kaolinite -> K-mica 2.5972e+06 3.2791e-05 4.4103e+00 -4.2509e+00
F: K-mica -> K-feldspar 4.7840e+07 1.9072e-04 5.4879e+00 -3.5540e+00
-------------------------------Phase assemblage--------------------------------
Moles in assemblage
Phase SI log IAP log KT Initial Final Delta
Gibbsite -2.00 6.05 8.05 0.000e+00 0 0.000e+00
K-mica 0.00 12.97 12.97 4.218e-05 6.361e-05 2.143e-05
Kaolinite -0.72 4.99 5.71 0.000e+00 0 0.000e+00
-----------------------------Solution composition------------------------------
Elements Molality Moles
Al 5.990e-08 5.989e-08
K 1.273e-04 1.273e-04
Si 3.818e-04 3.818e-04
----------------------------Description of solution----------------------------
pH = 9.389 Charge balance
pe = 9.113 Adjusted to redox equilibrium
Specific Conductance (uS/cm, 25 oC) = 14
Density (g/cm3) = 0.99705
Activity of water = 1.000
Ionic strength = 1.273e-04
Mass of water (kg) = 1.000e+00
Total alkalinity (eq/kg) = 1.275e-04
Total carbon (mol/kg) = 0.000e+00
Total CO2 (mol/kg) = 0.000e+00
Temperature (deg C) = 25.000
Electrical balance (eq) = -1.114e-10
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00
Iterations = 1790
Total H = 1.110123e+02
Total O = 5.550698e+01
----------------------------Distribution of species----------------------------
Log Log Log
Species Molality Activity Molality Activity Gamma
OH- 2.486e-05 2.453e-05 -4.605 -4.610 -0.006
H+ 4.133e-10 4.080e-10 -9.384 -9.389 -0.006
H2O 5.551e+01 1.000e+00 1.744 0.000 0.000
Al 5.990e-08
Al(OH)4- 5.988e-08 5.911e-08 -7.223 -7.228 -0.006
Al(OH)3 1.280e-11 1.280e-11 -10.893 -10.893 0.000
Al(OH)2+ 3.590e-14 3.544e-14 -13.445 -13.451 -0.006
AlOH+2 1.944e-18 1.845e-18 -17.711 -17.734 -0.023
Al+3 8.505e-23 7.579e-23 -22.070 -22.120 -0.050
H(0) 0.000e+00
H2 0.000e+00 0.000e+00 -40.154 -40.154 0.000
K 1.273e-04
K+ 1.273e-04 1.256e-04 -3.895 -3.901 -0.006
KOH 1.067e-09 1.067e-09 -8.972 -8.972 0.000
O(0) 1.694e-12
O2 8.470e-13 8.470e-13 -12.072 -12.072 0.000
Si 3.818e-04
H4SiO4 2.795e-04 2.795e-04 -3.554 -3.554 0.000
H3SiO4- 1.023e-04 1.010e-04 -3.990 -3.996 -0.006
H2SiO4-2 1.774e-08 1.684e-08 -7.751 -7.774 -0.023
------------------------------Saturation indices-------------------------------
Phase SI log IAP log KT
Al(OH)3(a) -4.75 6.05 10.80 Al(OH)3
Chalcedony 0.00 -3.55 -3.55 SiO2
Gibbsite -2.00 6.05 8.05 Al(OH)3
H2(g) -37.00 -40.15 -3.15 H2
H2O(g) -1.51 0.00 1.51 H2O
K-feldspar 0.00 0.87 0.88 KAlSi3O8
K-mica 0.00 12.97 12.97 KAl3Si3O10(OH)2
Kaolinite -0.72 4.99 5.71 Al2Si2O5(OH)4
O2(g) -9.18 -12.07 -2.89 O2
Quartz 0.43 -3.55 -3.98 SiO2
SiO2(a) -0.84 -3.55 -2.71 SiO2
------------------
End of simulation.
------------------
-------------------------------------
Reading input data for simulation 10.
-------------------------------------
-----------
End of run.
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