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iphreeqc/phreeqc3-examples/ex6.out

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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 Simulation 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
-----
Simulation 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 = 6.997 Charge balance
pe = 4.000
Specific Conductance (µS/cm, 25°C) = 0
Density (g/cm³) = 0.99704
Volume (L) = 1.00297
Viscosity (mPa s) = 0.89002
Activity of water = 1.000
Ionic strength (mol/kgw) = 1.006e-07
Mass of water (kg) = 1.000e+00
Total alkalinity (eq/kg) = 3.040e-17
Temperature (°C) = 25.00
Electrical balance (eq) = -3.040e-17
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 mole V
Species Molality Activity Molality Activity Gamma cm³/mol
OH- 1.006e-07 1.006e-07 -6.997 -6.997 -0.000 -4.14
H+ 1.006e-07 1.006e-07 -6.997 -6.997 -0.000 0.00
H2O 5.551e+01 1.000e+00 1.744 -0.000 0.000 18.07
H(0) 1.433e-25
H2 7.166e-26 7.166e-26 -25.145 -25.145 0.000 28.61
O(0) 0.000e+00
O2 0.000e+00 0.000e+00 -42.090 -42.090 0.000 30.40
------------------------------Saturation indices-------------------------------
Phase SI** log IAP log K(298 K, 1 atm)
H2(g) -22.04 -25.14 -3.10 H2
H2O(g) -1.50 -0.00 1.50 H2O
O2(g) -39.20 -42.09 -2.89 O2
**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
For ideal gases, phi = 1.
------------------
End of simulation.
------------------
------------------------------------
Reading input data for simulation 2.
------------------------------------
TITLE Simulation 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
USER_GRAPH 1 Simulation 6
-headings 6A--Intersections
-chart_title "K-Feldspar Reaction Path"
-axis_titles "Log[H4SiO4]" "Log([K+] / [H+])"
-axis_scale x_axis -8.0 0.0 1 1
-axis_scale y_axis -1.0 8.0 1 1
10 PLOT_XY LA("H4SiO4"),(LA("K+")-LA("H+")), color = Red, line_w = 0, symbol = Circle, symbol_size = 10
END
-----
TITLE
-----
Simulation 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 K(T, P) Initial Final Delta
Gibbsite -0.00 8.05 8.05
KAlSi3O8 is reactant 1.000e+01 1.000e+01 -2.658e-08
K-feldspar -14.69 -13.82 0.88 0.000e+00 0 0.000e+00
K-mica -10.69 2.28 12.97 0.000e+00 0 0.000e+00
Kaolinite -3.81 1.90 5.71 0.000e+00 0 0.000e+00
-----------------------------Solution composition------------------------------
Elements Molality Moles
Al 2.658e-08 2.658e-08
K 2.658e-08 2.658e-08
Si 7.974e-08 7.974e-08
----------------------------Description of solution----------------------------
pH = 7.004 Charge balance
pe = 10.368 Adjusted to redox equilibrium
Specific Conductance (µS/cm, 25°C) = 0
Density (g/cm³) = 0.99704
Volume (L) = 1.00297
Viscosity (mPa s) = 0.89002
Activity of water = 1.000
Ionic strength (mol/kgw) = 1.267e-07
Mass of water (kg) = 1.000e+00
Total alkalinity (eq/kg) = 1.063e-07
Temperature (°C) = 25.00
Electrical balance (eq) = -3.156e-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 mole V
Species Molality Activity Molality Activity Gamma cm³/mol
OH- 1.021e-07 1.021e-07 -6.991 -6.991 -0.000 -4.14
H+ 9.919e-08 9.915e-08 -7.004 -7.004 -0.000 0.00
H2O 5.551e+01 1.000e+00 1.744 -0.000 0.000 18.07
Al 2.658e-08
Al(OH)4- 2.442e-08 2.441e-08 -7.612 -7.612 -0.000 (0)
Al(OH)3 1.284e-09 1.284e-09 -8.891 -8.891 0.000 (0)
Al(OH)2+ 8.645e-10 8.641e-10 -9.063 -9.063 -0.000 (0)
AlOH+2 1.095e-11 1.093e-11 -10.961 -10.961 -0.001 -27.87
Al+3 1.095e-13 1.091e-13 -12.960 -12.962 -0.002 -42.53
H(0) 2.557e-38
H2 1.279e-38 1.279e-38 -37.893 -37.893 0.000 28.61
K 2.658e-08
K+ 2.658e-08 2.657e-08 -7.575 -7.576 -0.000 8.98
O(0) 5.099e-17
O2 2.550e-17 2.550e-17 -16.594 -16.594 0.000 30.40
Si 7.974e-08
H4SiO4 7.962e-08 7.962e-08 -7.099 -7.099 0.000 52.08
H3SiO4- 1.184e-10 1.184e-10 -9.926 -9.927 -0.000 27.94
H2SiO4-2 8.136e-17 8.123e-17 -16.090 -16.090 -0.001 (0)
------------------------------Saturation indices-------------------------------
Phase SI** log IAP log K(298 K, 1 atm)
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) -34.79 -37.89 -3.10 H2
H2O(g) -1.50 -0.00 1.50 H2O
K-feldspar -14.69 -13.82 0.88 KAlSi3O8
K-mica -10.69 2.28 12.97 KAl3Si3O10(OH)2
Kaolinite -3.81 1.90 5.71 Al2Si2O5(OH)4
O2(g) -13.70 -16.59 -2.89 O2
Quartz -3.12 -7.10 -3.98 SiO2
SiO2(a) -4.39 -7.10 -2.71 SiO2
**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
For ideal gases, phi = 1.
------------------
End of simulation.
------------------
------------------------------------
Reading input data for simulation 3.
------------------------------------
TITLE Simulation 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
-----
Simulation 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 K(T, P) Initial Final Delta
Gibbsite -0.00 8.05 8.05 0.000e+00 1.785e-06 1.785e-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 -2.178e-06
-----------------------------Solution composition------------------------------
Elements Molality Moles
Al 3.935e-07 3.935e-07
K 2.178e-06 2.178e-06
Si 6.535e-06 6.535e-06
----------------------------Description of solution----------------------------
pH = 8.209 Charge balance
pe = 9.163 Adjusted to redox equilibrium
Specific Conductance (µS/cm, 25°C) = 0
Density (g/cm³) = 0.99704
Volume (L) = 1.00297
Viscosity (mPa s) = 0.89003
Activity of water = 1.000
Ionic strength (mol/kgw) = 2.185e-06
Mass of water (kg) = 1.000e+00
Total alkalinity (eq/kg) = 3.359e-06
Temperature (°C) = 25.00
Electrical balance (eq) = -3.403e-17
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 mole V
Species Molality Activity Molality Activity Gamma cm³/mol
OH- 1.640e-06 1.637e-06 -5.785 -5.786 -0.001 -4.14
H+ 6.193e-09 6.182e-09 -8.208 -8.209 -0.001 0.00
H2O 5.551e+01 1.000e+00 1.744 -0.000 0.000 18.07
Al 3.935e-07
Al(OH)4- 3.921e-07 3.915e-07 -6.407 -6.407 -0.001 (0)
Al(OH)3 1.284e-09 1.284e-09 -8.891 -8.891 0.000 (0)
Al(OH)2+ 5.397e-11 5.388e-11 -10.268 -10.269 -0.001 (0)
AlOH+2 4.280e-14 4.250e-14 -13.369 -13.372 -0.003 -27.87
Al+3 2.687e-17 2.645e-17 -16.571 -16.578 -0.007 -42.52
H(0) 2.557e-38
H2 1.279e-38 1.279e-38 -37.893 -37.893 0.000 28.61
K 2.178e-06
K+ 2.178e-06 2.175e-06 -5.662 -5.663 -0.001 8.98
O(0) 5.099e-17
O2 2.550e-17 2.550e-17 -16.594 -16.594 0.000 30.40
Si 6.535e-06
H4SiO4 6.383e-06 6.383e-06 -5.195 -5.195 0.000 52.08
H3SiO4- 1.525e-07 1.522e-07 -6.817 -6.818 -0.001 27.95
H2SiO4-2 1.687e-12 1.675e-12 -11.773 -11.776 -0.003 (0)
------------------------------Saturation indices-------------------------------
Phase SI** log IAP log K(298 K, 1 atm)
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) -34.79 -37.89 -3.10 H2
H2O(g) -1.50 -0.00 1.50 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) -13.70 -16.59 -2.89 O2
Quartz -1.21 -5.20 -3.98 SiO2
SiO2(a) -2.48 -5.20 -2.71 SiO2
**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
For ideal gases, phi = 1.
------------------
End of simulation.
------------------
------------------------------------
Reading input data for simulation 4.
------------------------------------
TITLE Simulation 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
-----
Simulation 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 K(T, P) Initial Final Delta
Gibbsite -0.73 7.32 8.05 0.000e+00 0 0.000e+00
K-feldspar -2.54 -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 -2.010e-05
Kaolinite -0.00 5.71 5.71 0.000e+00 9.760e-06 9.760e-06
-----------------------------Solution composition------------------------------
Elements Molality Moles
Al 5.799e-07 5.799e-07
K 2.010e-05 2.010e-05
Si 4.078e-05 4.078e-05
----------------------------Description of solution----------------------------
pH = 9.107 Charge balance
pe = 8.265 Adjusted to redox equilibrium
Specific Conductance (µS/cm, 25°C) = 4
Density (g/cm³) = 0.99705
Volume (L) = 1.00297
Viscosity (mPa s) = 0.89004
Activity of water = 1.000
Ionic strength (mol/kgw) = 2.010e-05
Mass of water (kg) = 1.000e+00
Total alkalinity (eq/kg) = 2.184e-05
Temperature (°C) = 25.00
Electrical balance (eq) = -3.047e-17
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00
Iterations = 15
Total H = 1.110124e+02
Total O = 5.550629e+01
----------------------------Distribution of species----------------------------
Log Log Log mole V
Species Molality Activity Molality Activity Gamma cm³/mol
OH- 1.302e-05 1.295e-05 -4.885 -4.888 -0.002 -4.13
H+ 7.856e-10 7.815e-10 -9.105 -9.107 -0.002 0.00
H2O 5.551e+01 1.000e+00 1.744 -0.000 0.000 18.07
Al 5.799e-07
Al(OH)4- 5.796e-07 5.766e-07 -6.237 -6.239 -0.002 (0)
Al(OH)3 2.391e-10 2.391e-10 -9.621 -9.621 0.000 (0)
Al(OH)2+ 1.275e-12 1.268e-12 -11.895 -11.897 -0.002 (0)
AlOH+2 1.291e-16 1.265e-16 -15.889 -15.898 -0.009 -27.86
Al+3 1.043e-20 9.949e-21 -19.982 -20.002 -0.020 -42.50
H(0) 2.557e-38
H2 1.279e-38 1.279e-38 -37.893 -37.893 0.000 28.61
K 2.010e-05
K+ 2.010e-05 2.000e-05 -4.697 -4.699 -0.002 8.98
O(0) 5.099e-17
O2 2.550e-17 2.550e-17 -16.594 -16.594 0.000 30.40
Si 4.078e-05
H4SiO4 3.428e-05 3.428e-05 -4.465 -4.465 0.000 52.08
H3SiO4- 6.501e-06 6.468e-06 -5.187 -5.189 -0.002 27.95
H2SiO4-2 5.748e-10 5.629e-10 -9.240 -9.250 -0.009 (0)
------------------------------Saturation indices-------------------------------
Phase SI** log IAP log K(298 K, 1 atm)
Al(OH)3(a) -3.48 7.32 10.80 Al(OH)3
Chalcedony -0.91 -4.46 -3.55 SiO2
Gibbsite -0.73 7.32 8.05 Al(OH)3
H2(g) -34.79 -37.89 -3.10 H2
H2O(g) -1.50 -0.00 1.50 H2O
K-feldspar -2.54 -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) -13.70 -16.59 -2.89 O2
Quartz -0.48 -4.46 -3.98 SiO2
SiO2(a) -1.75 -4.46 -2.71 SiO2
**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
For ideal gases, phi = 1.
------------------
End of simulation.
------------------
------------------------------------
Reading input data for simulation 5.
------------------------------------
TITLE Simulation 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
-----
Simulation 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 K(T, P) 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
KAlSi3O8 is reactant 1.000e+01 1.000e+01 -1.909e-04
K-mica 0.00 12.97 12.97 0.000e+00 6.362e-05 6.362e-05
Kaolinite -0.72 4.99 5.71 0.000e+00 0 0.000e+00
-----------------------------Solution composition------------------------------
Elements Molality Moles
Al 5.973e-08 5.973e-08
K 1.273e-04 1.273e-04
Si 3.819e-04 3.819e-04
----------------------------Description of solution----------------------------
pH = 9.388 Charge balance
pe = 7.983 Adjusted to redox equilibrium
Specific Conductance (µS/cm, 25°C) = 14
Density (g/cm³) = 0.99707
Volume (L) = 1.00297
Viscosity (mPa s) = 0.89005
Activity of water = 1.000
Ionic strength (mol/kgw) = 1.273e-04
Mass of water (kg) = 1.000e+00
Total alkalinity (eq/kg) = 1.275e-04
Temperature (°C) = 25.00
Electrical balance (eq) = -3.135e-17
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00
Iterations = 17
Total H = 1.110123e+02
Total O = 5.550698e+01
----------------------------Distribution of species----------------------------
Log Log Log mole V
Species Molality Activity Molality Activity Gamma cm³/mol
OH- 2.506e-05 2.474e-05 -4.601 -4.607 -0.006 -4.13
H+ 4.144e-10 4.092e-10 -9.383 -9.388 -0.006 0.00
H2O 5.551e+01 1.000e+00 1.744 -0.000 0.000 18.07
Al 5.973e-08
Al(OH)4- 5.972e-08 5.895e-08 -7.224 -7.230 -0.006 (0)
Al(OH)3 1.280e-11 1.280e-11 -10.893 -10.893 0.000 (0)
Al(OH)2+ 3.600e-14 3.554e-14 -13.444 -13.449 -0.006 (0)
AlOH+2 1.954e-18 1.855e-18 -17.709 -17.732 -0.023 -27.83
Al+3 8.576e-23 7.641e-23 -22.067 -22.117 -0.050 -42.44
H(0) 2.558e-38
H2 1.279e-38 1.279e-38 -37.893 -37.893 0.000 28.61
K 1.273e-04
K+ 1.273e-04 1.256e-04 -3.895 -3.901 -0.006 8.99
O(0) 5.095e-17
O2 2.547e-17 2.548e-17 -16.594 -16.594 0.000 30.40
Si 3.819e-04
H4SiO4 2.797e-04 2.797e-04 -3.553 -3.553 0.000 52.08
H3SiO4- 1.021e-04 1.008e-04 -3.991 -3.996 -0.006 27.95
H2SiO4-2 1.765e-08 1.676e-08 -7.753 -7.776 -0.023 (0)
------------------------------Saturation indices-------------------------------
Phase SI** log IAP log K(298 K, 1 atm)
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) -34.79 -37.89 -3.10 H2
H2O(g) -1.50 -0.00 1.50 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) -13.70 -16.59 -2.89 O2
Quartz 0.43 -3.55 -3.98 SiO2
SiO2(a) -0.84 -3.55 -2.71 SiO2
**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
For ideal gases, phi = 1.
------------------
End of simulation.
------------------
------------------------------------
Reading input data for simulation 6.
------------------------------------
TITLE Simulation 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
-----
Simulation 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 K(T, P) Initial Final Delta
Gibbsite 0.00 8.05 8.05
KAlSi3O8 is reactant 1.000e+01 1.000e+01 -3.025e-06
Kaolinite -0.00 5.71 5.71 1.000e+00 1.000e+00 1.240e-06
-----------------------------Solution composition------------------------------
Elements Molality Moles
Al 5.450e-07 5.450e-07
K 3.025e-06 3.025e-06
Si 6.594e-06 6.594e-06
----------------------------Description of solution----------------------------
pH = 8.351 Charge balance
pe = 9.021 Adjusted to redox equilibrium
Specific Conductance (µS/cm, 25°C) = 0
Density (g/cm³) = 0.99704
Volume (L) = 1.00297
Viscosity (mPa s) = 0.89003
Activity of water = 1.000
Ionic strength (mol/kgw) = 3.029e-06
Mass of water (kg) = 1.000e+00
Total alkalinity (eq/kg) = 4.660e-06
Temperature (°C) = 25.00
Electrical balance (eq) = -2.999e-17
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 mole V
Species Molality Activity Molality Activity Gamma cm³/mol
OH- 2.274e-06 2.269e-06 -5.643 -5.644 -0.001 -4.14
H+ 4.469e-09 4.460e-09 -8.350 -8.351 -0.001 0.00
H2O 5.551e+01 1.000e+00 1.744 -0.000 0.000 18.07
Al 5.450e-07
Al(OH)4- 5.437e-07 5.426e-07 -6.265 -6.266 -0.001 (0)
Al(OH)3 1.284e-09 1.284e-09 -8.891 -8.891 0.000 (0)
Al(OH)2+ 3.895e-11 3.887e-11 -10.409 -10.410 -0.001 (0)
AlOH+2 2.230e-14 2.212e-14 -13.652 -13.655 -0.004 -27.87
Al+3 1.012e-17 9.934e-18 -16.995 -17.003 -0.008 -42.52
H(0) 2.557e-38
H2 1.279e-38 1.279e-38 -37.893 -37.893 0.000 28.61
K 3.025e-06
K+ 3.025e-06 3.018e-06 -5.519 -5.520 -0.001 8.98
O(0) 5.100e-17
O2 2.550e-17 2.550e-17 -16.593 -16.593 0.000 30.40
Si 6.594e-06
H4SiO4 6.383e-06 6.383e-06 -5.195 -5.195 0.000 52.08
H3SiO4- 2.114e-07 2.110e-07 -6.675 -6.676 -0.001 27.95
H2SiO4-2 3.244e-12 3.218e-12 -11.489 -11.492 -0.004 (0)
------------------------------Saturation indices-------------------------------
Phase SI** log IAP log K(298 K, 1 atm)
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) -34.79 -37.89 -3.10 H2
H2O(g) -1.50 -0.00 1.50 H2O
K-feldspar -5.58 -4.71 0.88 KAlSi3O8
K-mica -1.58 11.39 12.97 KAl3Si3O10(OH)2
Kaolinite -0.00 5.71 5.71 Al2Si2O5(OH)4
O2(g) -13.70 -16.59 -2.89 O2
Quartz -1.21 -5.20 -3.98 SiO2
SiO2(a) -2.48 -5.20 -2.71 SiO2
**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
For ideal gases, phi = 1.
------------------
End of simulation.
------------------
------------------------------------
Reading input data for simulation 7.
------------------------------------
TITLE Simulation 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
-----
Simulation 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 K(T, P) Initial Final Delta
K-mica 0.00 12.97 12.97 1.000e+00 1.000e+00 1.083e-05
Kaolinite 0.00 5.71 5.71
KAlSi3O8 is reactant 1.000e+01 1.000e+01 -3.281e-05
-----------------------------Solution composition------------------------------
Elements Molality Moles
Al 3.235e-07 3.235e-07
K 2.198e-05 2.198e-05
Si 6.595e-05 6.595e-05
----------------------------Description of solution----------------------------
pH = 9.068 Charge balance
pe = -3.259 Adjusted to redox equilibrium
Specific Conductance (µS/cm, 25°C) = 3
Density (g/cm³) = 0.99705
Volume (L) = 1.00297
Viscosity (mPa s) = 0.89004
Activity of water = 1.000
Ionic strength (mol/kgw) = 2.199e-05
Mass of water (kg) = 1.000e+00
Total alkalinity (eq/kg) = 2.295e-05
Temperature (°C) = 25.00
Electrical balance (eq) = -3.042e-17
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 mole V
Species Molality Activity Molality Activity Gamma cm³/mol
OH- 1.191e-05 1.184e-05 -4.924 -4.926 -0.002 -4.13
H+ 8.592e-10 8.545e-10 -9.066 -9.068 -0.002 0.00
H2O 5.551e+01 1.000e+00 1.744 -0.000 0.000 18.07
Al 3.235e-07
Al(OH)4- 3.234e-07 3.216e-07 -6.490 -6.493 -0.002 (0)
Al(OH)3 1.458e-10 1.458e-10 -9.836 -9.836 0.000 (0)
Al(OH)2+ 8.504e-13 8.458e-13 -12.070 -12.073 -0.002 (0)
AlOH+2 9.425e-17 9.222e-17 -16.026 -16.035 -0.009 -27.86
Al+3 8.331e-21 7.933e-21 -20.079 -20.101 -0.021 -42.50
H(0) 3.401e-15
H2 1.701e-15 1.701e-15 -14.769 -14.769 0.000 28.61
K 2.198e-05
K+ 2.198e-05 2.186e-05 -4.658 -4.660 -0.002 8.98
O(0) 0.000e+00
O2 0.000e+00 0.000e+00 -62.841 -62.841 0.000 30.40
Si 6.595e-05
H4SiO4 5.620e-05 5.620e-05 -4.250 -4.250 0.000 52.08
H3SiO4- 9.751e-06 9.697e-06 -5.011 -5.013 -0.002 27.95
H2SiO4-2 7.890e-10 7.719e-10 -9.103 -9.112 -0.009 (0)
------------------------------Saturation indices-------------------------------
Phase SI** log IAP log K(298 K, 1 atm)
Al(OH)3(a) -3.70 7.10 10.80 Al(OH)3
Chalcedony -0.70 -4.25 -3.55 SiO2
Gibbsite -0.94 7.10 8.05 Al(OH)3
H2(g) -11.67 -14.77 -3.10 H2
H2O(g) -1.50 -0.00 1.50 H2O
K-feldspar -2.11 -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) -59.95 -62.84 -2.89 O2
Quartz -0.27 -4.25 -3.98 SiO2
SiO2(a) -1.54 -4.25 -2.71 SiO2
**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
For ideal gases, phi = 1.
------------------
End of simulation.
------------------
------------------------------------
Reading input data for simulation 8.
------------------------------------
TITLE Simulation 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
USER_GRAPH
-headings 6B--Increments
10 PLOT_XY LA("H4SiO4"),(LA("K+")-LA("H+")), color = Blue, line_w = 0, symbol = XCross, symbol_size = 7
END
-----
TITLE
-----
Simulation 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.
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 K(T, P) Initial Final Delta
Gibbsite 0.00 8.05 8.05 0.000e+00 1.200e-08 1.200e-08
K-feldspar -13.96 -13.08 0.88 0.000e+00 0 0.000e+00
K-mica -9.96 3.01 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 2.800e-08 2.800e-08
K 4.000e-08 4.000e-08
Si 1.200e-07 1.200e-07
----------------------------Description of solution----------------------------
pH = 7.029 Charge balance
pe = -1.255 Adjusted to redox equilibrium
Specific Conductance (µS/cm, 25°C) = 0
Density (g/cm³) = 0.99704
Volume (L) = 1.00297
Viscosity (mPa s) = 0.89002
Activity of water = 1.000
Ionic strength (mol/kgw) = 1.344e-07
Mass of water (kg) = 1.000e+00
Total alkalinity (eq/kg) = 1.240e-07
Temperature (°C) = 25.00
Electrical balance (eq) = -2.243e-17
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00
Iterations = 8
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- 1.083e-07 1.082e-07 -6.965 -6.966 -0.000 -4.14
H+ 9.354e-08 9.350e-08 -7.029 -7.029 -0.000 0.00
H2O 5.551e+01 1.000e+00 1.744 -0.000 0.000 18.07
Al 2.800e-08
Al(OH)4- 2.589e-08 2.588e-08 -7.587 -7.587 -0.000 (0)
Al(OH)3 1.284e-09 1.284e-09 -8.891 -8.891 0.000 (0)
Al(OH)2+ 8.152e-10 8.149e-10 -9.089 -9.089 -0.000 (0)
AlOH+2 9.738e-12 9.722e-12 -11.012 -11.012 -0.001 -27.87
Al+3 9.187e-14 9.151e-14 -13.037 -13.039 -0.002 -42.53
H(0) 4.005e-15
H2 2.002e-15 2.002e-15 -14.698 -14.698 0.000 28.61
K 4.000e-08
K+ 4.000e-08 3.998e-08 -7.398 -7.398 -0.000 8.98
O(0) 0.000e+00
O2 0.000e+00 0.000e+00 -62.983 -62.983 0.000 30.40
Si 1.200e-07
H4SiO4 1.198e-07 1.198e-07 -6.922 -6.922 0.000 52.08
H3SiO4- 1.890e-10 1.889e-10 -9.723 -9.724 -0.000 27.94
H2SiO4-2 1.377e-16 1.374e-16 -15.861 -15.862 -0.001 (0)
------------------------------Saturation indices-------------------------------
Phase SI** log IAP log K(298 K, 1 atm)
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) -11.60 -14.70 -3.10 H2
H2O(g) -1.50 -0.00 1.50 H2O
K-feldspar -13.96 -13.08 0.88 KAlSi3O8
K-mica -9.96 3.01 12.97 KAl3Si3O10(OH)2
Kaolinite -3.45 2.25 5.71 Al2Si2O5(OH)4
O2(g) -60.09 -62.98 -2.89 O2
Quartz -2.94 -6.92 -3.98 SiO2
SiO2(a) -4.21 -6.92 -2.71 SiO2
**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
For ideal gases, phi = 1.
Reaction step 2.
Using solution 1. PURE WATER
Using pure phase assemblage 1.
Using reaction 1.
Reaction 1.
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 K(T, P) Initial Final Delta
Gibbsite 0.00 8.05 8.05 0.000e+00 4.731e-08 4.731e-08
K-feldspar -12.68 -11.81 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 3.269e-08 3.269e-08
K 8.000e-08 8.000e-08
Si 2.400e-07 2.400e-07
----------------------------Description of solution----------------------------
pH = 7.103 Charge balance
pe = 11.463 Adjusted to redox equilibrium
Specific Conductance (µS/cm, 25°C) = 0
Density (g/cm³) = 0.99704
Volume (L) = 1.00297
Viscosity (mPa s) = 0.89003
Activity of water = 1.000
Ionic strength (mol/kgw) = 1.596e-07
Mass of water (kg) = 1.000e+00
Total alkalinity (eq/kg) = 1.781e-07
Temperature (°C) = 25.00
Electrical balance (eq) = -2.583e-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 mole V
Species Molality Activity Molality Activity Gamma cm³/mol
OH- 1.284e-07 1.284e-07 -6.891 -6.892 -0.000 -4.14
H+ 7.888e-08 7.885e-08 -7.103 -7.103 -0.000 0.00
H2O 5.551e+01 1.000e+00 1.744 -0.000 0.000 18.07
Al 3.269e-08
Al(OH)4- 3.071e-08 3.069e-08 -7.513 -7.513 -0.000 (0)
Al(OH)3 1.284e-09 1.284e-09 -8.891 -8.891 0.000 (0)
Al(OH)2+ 6.875e-10 6.872e-10 -9.163 -9.163 -0.000 (0)
AlOH+2 6.926e-12 6.913e-12 -11.160 -11.160 -0.001 -27.87
Al+3 5.511e-14 5.487e-14 -13.259 -13.261 -0.002 -42.53
H(0) 0.000e+00
H2 0.000e+00 0.000e+00 -40.282 -40.282 0.000 28.61
K 8.000e-08
K+ 8.000e-08 7.996e-08 -7.097 -7.097 -0.000 8.98
O(0) 3.051e-12
O2 1.526e-12 1.526e-12 -11.817 -11.817 0.000 30.40
Si 2.400e-07
H4SiO4 2.396e-07 2.396e-07 -6.621 -6.621 0.000 52.08
H3SiO4- 4.482e-10 4.480e-10 -9.349 -9.349 -0.000 27.94
H2SiO4-2 3.872e-16 3.865e-16 -15.412 -15.413 -0.001 (0)
------------------------------Saturation indices-------------------------------
Phase SI** log IAP log K(298 K, 1 atm)
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) -37.18 -40.28 -3.10 H2
H2O(g) -1.50 -0.00 1.50 H2O
K-feldspar -12.68 -11.81 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) -8.92 -11.82 -2.89 O2
Quartz -2.64 -6.62 -3.98 SiO2
SiO2(a) -3.91 -6.62 -2.71 SiO2
**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
For ideal gases, phi = 1.
Reaction step 3.
Using solution 1. PURE WATER
Using pure phase assemblage 1.
Using reaction 1.
Reaction 1.
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 K(T, P) Initial Final Delta
Gibbsite 0.00 8.05 8.05 0.000e+00 1.163e-07 1.163e-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 4.369e-08 4.369e-08
K 1.600e-07 1.600e-07
Si 4.800e-07 4.800e-07
----------------------------Description of solution----------------------------
pH = 7.238 Charge balance
pe = -1.232 Adjusted to redox equilibrium
Specific Conductance (µS/cm, 25°C) = 0
Density (g/cm³) = 0.99704
Volume (L) = 1.00297
Viscosity (mPa s) = 0.89003
Activity of water = 1.000
Ionic strength (mol/kgw) = 2.183e-07
Mass of water (kg) = 1.000e+00
Total alkalinity (eq/kg) = 2.911e-07
Temperature (°C) = 25.00
Electrical balance (eq) = -1.730e-16
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 mole V
Species Molality Activity Molality Activity Gamma cm³/mol
OH- 1.752e-07 1.751e-07 -6.756 -6.757 -0.000 -4.14
H+ 5.783e-08 5.780e-08 -7.238 -7.238 -0.000 0.00
H2O 5.551e+01 1.000e+00 1.744 -0.000 0.000 18.07
Al 4.369e-08
Al(OH)4- 4.190e-08 4.187e-08 -7.378 -7.378 -0.000 (0)
Al(OH)3 1.284e-09 1.284e-09 -8.891 -8.891 0.000 (0)
Al(OH)2+ 5.040e-10 5.037e-10 -9.298 -9.298 -0.000 (0)
AlOH+2 3.723e-12 3.714e-12 -11.429 -11.430 -0.001 -27.87
Al+3 2.172e-14 2.161e-14 -13.663 -13.665 -0.002 -42.53
H(0) 1.378e-15
H2 6.889e-16 6.889e-16 -15.162 -15.162 0.000 28.61
K 1.600e-07
K+ 1.600e-07 1.599e-07 -6.796 -6.796 -0.000 8.98
O(0) 0.000e+00
O2 0.000e+00 0.000e+00 -62.056 -62.056 0.000 30.40
Si 4.800e-07
H4SiO4 4.788e-07 4.788e-07 -6.320 -6.320 0.000 52.08
H3SiO4- 1.222e-09 1.221e-09 -8.913 -8.913 -0.000 27.94
H2SiO4-2 1.441e-15 1.438e-15 -14.841 -14.842 -0.001 (0)
------------------------------Saturation indices-------------------------------
Phase SI** log IAP log K(298 K, 1 atm)
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) -12.06 -15.16 -3.10 H2
H2O(g) -1.50 -0.00 1.50 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) -59.16 -62.06 -2.89 O2
Quartz -2.34 -6.32 -3.98 SiO2
SiO2(a) -3.61 -6.32 -2.71 SiO2
**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
For ideal gases, phi = 1.
Reaction step 4.
Using solution 1. PURE WATER
Using pure phase assemblage 1.
Using reaction 1.
Reaction 1.
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 K(T, P) Initial Final Delta
Gibbsite 0.00 8.05 8.05 0.000e+00 2.505e-07 2.505e-07
K-feldspar -9.93 -9.06 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 6.953e-08 6.953e-08
K 3.200e-07 3.200e-07
Si 9.600e-07 9.600e-07
----------------------------Description of solution----------------------------
pH = 7.448 Charge balance
pe = -1.590 Adjusted to redox equilibrium
Specific Conductance (µS/cm, 25°C) = 0
Density (g/cm³) = 0.99704
Volume (L) = 1.00297
Viscosity (mPa s) = 0.89003
Activity of water = 1.000
Ionic strength (mol/kgw) = 3.560e-07
Mass of water (kg) = 1.000e+00
Total alkalinity (eq/kg) = 5.286e-07
Temperature (°C) = 25.00
Electrical balance (eq) = -3.041e-17
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 mole V
Species Molality Activity Molality Activity Gamma cm³/mol
OH- 2.841e-07 2.839e-07 -6.547 -6.547 -0.000 -4.14
H+ 3.568e-08 3.565e-08 -7.448 -7.448 -0.000 0.00
H2O 5.551e+01 1.000e+00 1.744 -0.000 0.000 18.07
Al 6.953e-08
Al(OH)4- 6.793e-08 6.788e-08 -7.168 -7.168 -0.000 (0)
Al(OH)3 1.284e-09 1.284e-09 -8.891 -8.891 0.000 (0)
Al(OH)2+ 3.109e-10 3.107e-10 -9.507 -9.508 -0.000 (0)
AlOH+2 1.417e-12 1.413e-12 -11.849 -11.850 -0.001 -27.87
Al+3 5.105e-15 5.073e-15 -14.292 -14.295 -0.003 -42.53
H(0) 2.725e-15
H2 1.363e-15 1.363e-15 -14.866 -14.866 0.000 28.61
K 3.200e-07
K+ 3.200e-07 3.198e-07 -6.495 -6.495 -0.000 8.98
O(0) 0.000e+00
O2 0.000e+00 0.000e+00 -62.649 -62.649 0.000 30.40
Si 9.600e-07
H4SiO4 9.560e-07 9.560e-07 -6.020 -6.020 0.000 52.08
H3SiO4- 3.957e-09 3.954e-09 -8.403 -8.403 -0.000 27.94
H2SiO4-2 7.565e-15 7.544e-15 -14.121 -14.122 -0.001 (0)
------------------------------Saturation indices-------------------------------
Phase SI** log IAP log K(298 K, 1 atm)
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) -11.76 -14.87 -3.10 H2
H2O(g) -1.50 -0.00 1.50 H2O
K-feldspar -9.93 -9.06 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) -59.76 -62.65 -2.89 O2
Quartz -2.04 -6.02 -3.98 SiO2
SiO2(a) -3.31 -6.02 -2.71 SiO2
**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
For ideal gases, phi = 1.
Reaction step 5.
Using solution 1. PURE WATER
Using pure phase assemblage 1.
Using reaction 1.
Reaction 1.
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 K(T, P) Initial Final Delta
Gibbsite -0.00 8.05 8.05 0.000e+00 5.140e-07 5.140e-07
K-feldspar -8.47 -7.59 0.88 0.000e+00 0 0.000e+00
K-mica -4.47 8.50 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 1.260e-07 1.260e-07
K 6.400e-07 6.400e-07
Si 1.920e-06 1.920e-06
----------------------------Description of solution----------------------------
pH = 7.711 Charge balance
pe = -2.002 Adjusted to redox equilibrium
Specific Conductance (µS/cm, 25°C) = 0
Density (g/cm³) = 0.99704
Volume (L) = 1.00297
Viscosity (mPa s) = 0.89003
Activity of water = 1.000
Ionic strength (mol/kgw) = 6.596e-07
Mass of water (kg) = 1.000e+00
Total alkalinity (eq/kg) = 1.018e-06
Temperature (°C) = 25.00
Electrical balance (eq) = -3.816e-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 mole V
Species Molality Activity Molality Activity Gamma cm³/mol
OH- 5.207e-07 5.202e-07 -6.283 -6.284 -0.000 -4.14
H+ 1.948e-08 1.946e-08 -7.711 -7.711 -0.000 0.00
H2O 5.551e+01 1.000e+00 1.744 -0.000 0.000 18.07
Al 1.260e-07
Al(OH)4- 1.245e-07 1.244e-07 -6.905 -6.905 -0.000 (0)
Al(OH)3 1.284e-09 1.284e-09 -8.891 -8.891 0.000 (0)
Al(OH)2+ 1.697e-10 1.696e-10 -9.770 -9.771 -0.000 (0)
AlOH+2 4.226e-13 4.210e-13 -12.374 -12.376 -0.002 -27.87
Al+3 8.317e-16 8.246e-16 -15.080 -15.084 -0.004 -42.53
H(0) 5.420e-15
H2 2.710e-15 2.710e-15 -14.567 -14.567 0.000 28.61
K 6.400e-07
K+ 6.400e-07 6.394e-07 -6.194 -6.194 -0.000 8.98
O(0) 0.000e+00
O2 0.000e+00 0.000e+00 -63.246 -63.246 0.000 30.40
Si 1.920e-06
H4SiO4 1.906e-06 1.906e-06 -5.720 -5.720 0.000 52.08
H3SiO4- 1.445e-08 1.444e-08 -7.840 -7.840 -0.000 27.94
H2SiO4-2 5.068e-14 5.048e-14 -13.295 -13.297 -0.002 (0)
------------------------------Saturation indices-------------------------------
Phase SI** log IAP log K(298 K, 1 atm)
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) -11.47 -14.57 -3.10 H2
H2O(g) -1.50 -0.00 1.50 H2O
K-feldspar -8.47 -7.59 0.88 KAlSi3O8
K-mica -4.47 8.50 12.97 KAl3Si3O10(OH)2
Kaolinite -1.05 4.66 5.71 Al2Si2O5(OH)4
O2(g) -60.35 -63.25 -2.89 O2
Quartz -1.74 -5.72 -3.98 SiO2
SiO2(a) -3.01 -5.72 -2.71 SiO2
**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
For ideal gases, phi = 1.
Reaction step 6.
Using solution 1. PURE WATER
Using pure phase assemblage 1.
Using reaction 1.
Reaction 1.
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 K(T, P) Initial Final Delta
Gibbsite 0.00 8.05 8.05 0.000e+00 8.097e-07 8.097e-07
K-feldspar -7.52 -6.64 0.88 0.000e+00 0 0.000e+00
K-mica -3.52 9.45 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 1.903e-07 1.903e-07
K 1.000e-06 1.000e-06
Si 3.000e-06 3.000e-06
----------------------------Description of solution----------------------------
pH = 7.892 Charge balance
pe = 9.814 Adjusted to redox equilibrium
Specific Conductance (µS/cm, 25°C) = 0
Density (g/cm³) = 0.99704
Volume (L) = 1.00297
Viscosity (mPa s) = 0.89003
Activity of water = 1.000
Ionic strength (mol/kgw) = 1.013e-06
Mass of water (kg) = 1.000e+00
Total alkalinity (eq/kg) = 1.571e-06
Temperature (°C) = 25.00
Electrical balance (eq) = -3.305e-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 mole V
Species Molality Activity Molality Activity Gamma cm³/mol
OH- 7.899e-07 7.890e-07 -6.102 -6.103 -0.001 -4.14
H+ 1.284e-08 1.283e-08 -7.891 -7.892 -0.001 0.00
H2O 5.551e+01 1.000e+00 1.744 -0.000 0.000 18.07
Al 1.903e-07
Al(OH)4- 1.889e-07 1.887e-07 -6.724 -6.724 -0.001 (0)
Al(OH)3 1.284e-09 1.284e-09 -8.891 -8.891 0.000 (0)
Al(OH)2+ 1.119e-10 1.118e-10 -9.951 -9.952 -0.001 (0)
AlOH+2 1.839e-13 1.830e-13 -12.736 -12.738 -0.002 -27.87
Al+3 2.388e-16 2.363e-16 -15.622 -15.626 -0.005 -42.53
H(0) 5.499e-39
H2 2.749e-39 2.749e-39 -38.561 -38.561 0.000 28.61
K 1.000e-06
K+ 1.000e-06 9.988e-07 -6.000 -6.001 -0.001 8.98
O(0) 1.103e-15
O2 5.515e-16 5.515e-16 -15.258 -15.258 0.000 30.40
Si 3.000e-06
H4SiO4 2.966e-06 2.966e-06 -5.528 -5.528 0.000 52.08
H3SiO4- 3.413e-08 3.409e-08 -7.467 -7.467 -0.001 27.94
H2SiO4-2 1.816e-13 1.808e-13 -12.741 -12.743 -0.002 (0)
------------------------------Saturation indices-------------------------------
Phase SI** log IAP log K(298 K, 1 atm)
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) -35.46 -38.56 -3.10 H2
H2O(g) -1.50 -0.00 1.50 H2O
K-feldspar -7.52 -6.64 0.88 KAlSi3O8
K-mica -3.52 9.45 12.97 KAl3Si3O10(OH)2
Kaolinite -0.67 5.04 5.71 Al2Si2O5(OH)4
O2(g) -12.37 -15.26 -2.89 O2
Quartz -1.55 -5.53 -3.98 SiO2
SiO2(a) -2.82 -5.53 -2.71 SiO2
**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
For ideal gases, phi = 1.
Reaction step 7.
Using solution 1. PURE WATER
Using pure phase assemblage 1.
Using reaction 1.
Reaction 1.
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 K(T, P) Initial Final Delta
Gibbsite 0.00 8.05 8.05 0.000e+00 1.636e-06 1.636e-06
K-feldspar -6.05 -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 3.636e-07 3.636e-07
K 2.000e-06 2.000e-06
Si 6.000e-06 6.000e-06
----------------------------Description of solution----------------------------
pH = 8.174 Charge balance
pe = 9.607 Adjusted to redox equilibrium
Specific Conductance (µS/cm, 25°C) = 0
Density (g/cm³) = 0.99704
Volume (L) = 1.00297
Viscosity (mPa s) = 0.89003
Activity of water = 1.000
Ionic strength (mol/kgw) = 2.007e-06
Mass of water (kg) = 1.000e+00
Total alkalinity (eq/kg) = 3.091e-06
Temperature (°C) = 25.00
Electrical balance (eq) = -6.917e-16
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00
Iterations = 11
Total H = 1.110124e+02
Total O = 5.550623e+01
----------------------------Distribution of species----------------------------
Log Log Log mole V
Species Molality Activity Molality Activity Gamma cm³/mol
OH- 1.515e-06 1.512e-06 -5.820 -5.820 -0.001 -4.14
H+ 6.703e-09 6.692e-09 -8.174 -8.174 -0.001 0.00
H2O 5.551e+01 1.000e+00 1.744 -0.000 0.000 18.07
Al 3.636e-07
Al(OH)4- 3.622e-07 3.616e-07 -6.441 -6.442 -0.001 (0)
Al(OH)3 1.284e-09 1.284e-09 -8.891 -8.891 0.000 (0)
Al(OH)2+ 5.842e-11 5.832e-11 -10.233 -10.234 -0.001 (0)
AlOH+2 5.013e-14 4.980e-14 -13.300 -13.303 -0.003 -27.87
Al+3 3.406e-17 3.355e-17 -16.468 -16.474 -0.006 -42.52
H(0) 3.874e-39
H2 1.937e-39 1.937e-39 -38.713 -38.713 0.000 28.61
K 2.000e-06
K+ 2.000e-06 1.997e-06 -5.699 -5.700 -0.001 8.98
O(0) 2.223e-15
O2 1.111e-15 1.111e-15 -14.954 -14.954 0.000 30.40
Si 6.000e-06
H4SiO4 5.870e-06 5.870e-06 -5.231 -5.231 0.000 52.08
H3SiO4- 1.296e-07 1.293e-07 -6.888 -6.888 -0.001 27.95
H2SiO4-2 1.323e-12 1.315e-12 -11.878 -11.881 -0.003 (0)
------------------------------Saturation indices-------------------------------
Phase SI** log IAP log K(298 K, 1 atm)
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) -35.61 -38.71 -3.10 H2
H2O(g) -1.50 -0.00 1.50 H2O
K-feldspar -6.05 -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) -12.06 -14.95 -2.89 O2
Quartz -1.25 -5.23 -3.98 SiO2
SiO2(a) -2.52 -5.23 -2.71 SiO2
**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
For ideal gases, phi = 1.
Reaction step 8.
Using solution 1. PURE WATER
Using pure phase assemblage 1.
Using reaction 1.
Reaction 1.
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 K(T, P) Initial Final Delta
Gibbsite -0.11 7.94 8.05 0.000e+00 0 0.000e+00
K-feldspar -5.11 -4.24 0.88 0.000e+00 0 0.000e+00
K-mica -1.33 11.64 12.97 0.000e+00 0 0.000e+00
Kaolinite -0.00 5.71 5.71 0.000e+00 1.714e-06 1.714e-06
-----------------------------Solution composition------------------------------
Elements Molality Moles
Al 5.714e-07 5.714e-07
K 4.000e-06 4.000e-06
Si 8.571e-06 8.571e-06
----------------------------Description of solution----------------------------
pH = 8.480 Charge balance
pe = -2.767 Adjusted to redox equilibrium
Specific Conductance (µS/cm, 25°C) = 0
Density (g/cm³) = 0.99704
Volume (L) = 1.00297
Viscosity (mPa s) = 0.89003
Activity of water = 1.000
Ionic strength (mol/kgw) = 4.003e-06
Mass of water (kg) = 1.000e+00
Total alkalinity (eq/kg) = 5.714e-06
Temperature (°C) = 25.00
Electrical balance (eq) = -6.910e-17
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 mole V
Species Molality Activity Molality Activity Gamma cm³/mol
OH- 3.066e-06 3.059e-06 -5.513 -5.514 -0.001 -4.14
H+ 3.316e-09 3.309e-09 -8.479 -8.480 -0.001 0.00
H2O 5.551e+01 1.000e+00 1.744 -0.000 0.000 18.07
Al 5.714e-07
Al(OH)4- 5.704e-07 5.690e-07 -6.244 -6.245 -0.001 (0)
Al(OH)3 9.989e-10 9.989e-10 -9.000 -9.000 0.000 (0)
Al(OH)2+ 2.248e-11 2.243e-11 -10.648 -10.649 -0.001 (0)
AlOH+2 9.558e-15 9.469e-15 -14.020 -14.024 -0.004 -27.87
Al+3 3.221e-18 3.154e-18 -17.492 -17.501 -0.009 -42.52
H(0) 5.295e-15
H2 2.648e-15 2.648e-15 -14.577 -14.577 0.000 28.61
K 4.000e-06
K+ 4.000e-06 3.991e-06 -5.398 -5.399 -0.001 8.98
O(0) 0.000e+00
O2 0.000e+00 0.000e+00 -63.226 -63.226 0.000 30.40
Si 8.571e-06
H4SiO4 8.205e-06 8.205e-06 -5.086 -5.086 0.000 52.08
H3SiO4- 3.665e-07 3.657e-07 -6.436 -6.437 -0.001 27.95
H2SiO4-2 7.589e-12 7.518e-12 -11.120 -11.124 -0.004 (0)
------------------------------Saturation indices-------------------------------
Phase SI** log IAP log K(298 K, 1 atm)
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) -11.48 -14.58 -3.10 H2
H2O(g) -1.50 -0.00 1.50 H2O
K-feldspar -5.11 -4.24 0.88 KAlSi3O8
K-mica -1.33 11.64 12.97 KAl3Si3O10(OH)2
Kaolinite -0.00 5.71 5.71 Al2Si2O5(OH)4
O2(g) -60.33 -63.23 -2.89 O2
Quartz -1.11 -5.09 -3.98 SiO2
SiO2(a) -2.37 -5.09 -2.71 SiO2
**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
For ideal gases, phi = 1.
Reaction step 9.
Using solution 1. PURE WATER
Using pure phase assemblage 1.
Using reaction 1.
Reaction 1.
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 K(T, P) Initial Final Delta
Gibbsite -0.38 7.67 8.05 0.000e+00 0 0.000e+00
K-feldspar -3.98 -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 3.697e-06 3.697e-06
-----------------------------Solution composition------------------------------
Elements Molality Moles
Al 6.057e-07 6.057e-07
K 8.000e-06 8.000e-06
Si 1.661e-05 1.661e-05
----------------------------Description of solution----------------------------
pH = 8.775 Charge balance
pe = 8.985 Adjusted to redox equilibrium
Specific Conductance (µS/cm, 25°C) = 1
Density (g/cm³) = 0.99704
Volume (L) = 1.00297
Viscosity (mPa s) = 0.89003
Activity of water = 1.000
Ionic strength (mol/kgw) = 8.002e-06
Mass of water (kg) = 1.000e+00
Total alkalinity (eq/kg) = 9.817e-06
Temperature (°C) = 25.00
Electrical balance (eq) = -7.217e-16
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 mole V
Species Molality Activity Molality Activity Gamma cm³/mol
OH- 6.051e-06 6.031e-06 -5.218 -5.220 -0.001 -4.14
H+ 1.684e-09 1.678e-09 -8.774 -8.775 -0.001 0.00
H2O 5.551e+01 1.000e+00 1.744 -0.000 0.000 18.07
Al 6.057e-07
Al(OH)4- 6.052e-07 6.032e-07 -6.218 -6.220 -0.001 (0)
Al(OH)3 5.371e-10 5.371e-10 -9.270 -9.270 0.000 (0)
Al(OH)2+ 6.137e-12 6.117e-12 -11.212 -11.213 -0.001 (0)
AlOH+2 1.327e-15 1.310e-15 -14.877 -14.883 -0.006 -27.86
Al+3 2.280e-19 2.213e-19 -18.642 -18.655 -0.013 -42.51
H(0) 4.275e-39
H2 2.137e-39 2.137e-39 -38.670 -38.670 0.000 28.61
K 8.000e-06
K+ 8.000e-06 7.974e-06 -5.097 -5.098 -0.001 8.98
O(0) 1.825e-15
O2 9.126e-16 9.126e-16 -15.040 -15.040 0.000 30.40
Si 1.661e-05
H4SiO4 1.526e-05 1.526e-05 -4.816 -4.816 0.000 52.08
H3SiO4- 1.345e-06 1.341e-06 -5.871 -5.873 -0.001 27.95
H2SiO4-2 5.507e-11 5.435e-11 -10.259 -10.265 -0.006 (0)
------------------------------Saturation indices-------------------------------
Phase SI** log IAP log K(298 K, 1 atm)
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) -35.57 -38.67 -3.10 H2
H2O(g) -1.50 -0.00 1.50 H2O
K-feldspar -3.98 -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) -12.15 -15.04 -2.89 O2
Quartz -0.84 -4.82 -3.98 SiO2
SiO2(a) -2.10 -4.82 -2.71 SiO2
**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
For ideal gases, phi = 1.
Reaction step 10.
Using solution 1. PURE WATER
Using pure phase assemblage 1.
Using reaction 1.
Reaction 1.
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 K(T, P) 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 7.703e-06 7.703e-06
-----------------------------Solution composition------------------------------
Elements Molality Moles
Al 5.936e-07 5.936e-07
K 1.600e-05 1.600e-05
Si 3.259e-05 3.259e-05
----------------------------Description of solution----------------------------
pH = 9.031 Charge balance
pe = -3.375 Adjusted to redox equilibrium
Specific Conductance (µS/cm, 25°C) = 3
Density (g/cm³) = 0.99705
Volume (L) = 1.00297
Viscosity (mPa s) = 0.89004
Activity of water = 1.000
Ionic strength (mol/kgw) = 1.600e-05
Mass of water (kg) = 1.000e+00
Total alkalinity (eq/kg) = 1.778e-05
Temperature (°C) = 25.00
Electrical balance (eq) = -1.356e-16
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00
Iterations = 13
Total H = 1.110124e+02
Total O = 5.550628e+01
----------------------------Distribution of species----------------------------
Log Log Log mole V
Species Molality Activity Molality Activity Gamma cm³/mol
OH- 1.093e-05 1.088e-05 -4.961 -4.963 -0.002 -4.13
H+ 9.347e-10 9.304e-10 -9.029 -9.031 -0.002 0.00
H2O 5.551e+01 1.000e+00 1.744 -0.000 0.000 18.07
Al 5.936e-07
Al(OH)4- 5.933e-07 5.905e-07 -6.227 -6.229 -0.002 (0)
Al(OH)3 2.915e-10 2.915e-10 -9.535 -9.535 0.000 (0)
Al(OH)2+ 1.849e-12 1.841e-12 -11.733 -11.735 -0.002 (0)
AlOH+2 2.226e-16 2.185e-16 -15.652 -15.661 -0.008 -27.86
Al+3 2.134e-20 2.046e-20 -19.671 -19.689 -0.018 -42.50
H(0) 6.880e-15
H2 3.440e-15 3.440e-15 -14.463 -14.463 0.000 28.61
K 1.600e-05
K+ 1.600e-05 1.593e-05 -4.796 -4.798 -0.002 8.98
O(0) 0.000e+00
O2 0.000e+00 0.000e+00 -63.453 -63.453 0.000 30.40
Si 3.259e-05
H4SiO4 2.812e-05 2.812e-05 -4.551 -4.551 0.000 52.08
H3SiO4- 4.477e-06 4.456e-06 -5.349 -5.351 -0.002 27.95
H2SiO4-2 3.319e-10 3.258e-10 -9.479 -9.487 -0.008 (0)
------------------------------Saturation indices-------------------------------
Phase SI** log IAP log K(298 K, 1 atm)
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) -11.36 -14.46 -3.10 H2
H2O(g) -1.50 -0.00 1.50 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) -60.56 -63.45 -2.89 O2
Quartz -0.57 -4.55 -3.98 SiO2
SiO2(a) -1.84 -4.55 -2.71 SiO2
**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
For ideal gases, phi = 1.
Reaction step 11.
Using solution 1. PURE WATER
Using pure phase assemblage 1.
Using reaction 1.
Reaction 1.
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 K(T, P) 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 1.014e-05 1.014e-05
Kaolinite -0.00 5.71 5.71 0.000e+00 6.295e-07 6.295e-07
-----------------------------Solution composition------------------------------
Elements Molality Moles
Al 3.338e-07 3.338e-07
K 2.186e-05 2.186e-05
Si 6.433e-05 6.433e-05
----------------------------Description of solution----------------------------
pH = 9.071 Charge balance
pe = 8.470 Adjusted to redox equilibrium
Specific Conductance (µS/cm, 25°C) = 3
Density (g/cm³) = 0.99705
Volume (L) = 1.00297
Viscosity (mPa s) = 0.89004
Activity of water = 1.000
Ionic strength (mol/kgw) = 2.187e-05
Mass of water (kg) = 1.000e+00
Total alkalinity (eq/kg) = 2.287e-05
Temperature (°C) = 25.00
Electrical balance (eq) = 4.982e-14
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00
Iterations = 14
Total H = 1.110124e+02
Total O = 5.550635e+01
----------------------------Distribution of species----------------------------
Log Log Log mole V
Species Molality Activity Molality Activity Gamma cm³/mol
OH- 1.197e-05 1.191e-05 -4.922 -4.924 -0.002 -4.13
H+ 8.545e-10 8.499e-10 -9.068 -9.071 -0.002 0.00
H2O 5.551e+01 1.000e+00 1.744 -0.000 0.000 18.07
Al 3.338e-07
Al(OH)4- 3.336e-07 3.318e-07 -6.477 -6.479 -0.002 (0)
Al(OH)3 1.496e-10 1.496e-10 -9.825 -9.825 0.000 (0)
Al(OH)2+ 8.678e-13 8.630e-13 -12.062 -12.064 -0.002 (0)
AlOH+2 9.565e-17 9.359e-17 -16.019 -16.029 -0.009 -27.86
Al+3 8.407e-21 8.007e-21 -20.075 -20.097 -0.021 -42.50
H(0) 1.177e-38
H2 5.884e-39 5.884e-39 -38.230 -38.230 0.000 28.61
K 2.186e-05
K+ 2.186e-05 2.175e-05 -4.660 -4.663 -0.002 8.98
O(0) 2.408e-16
O2 1.204e-16 1.204e-16 -15.919 -15.919 0.000 30.40
Si 6.433e-05
H4SiO4 5.478e-05 5.478e-05 -4.261 -4.261 0.000 52.08
H3SiO4- 9.556e-06 9.504e-06 -5.020 -5.022 -0.002 27.95
H2SiO4-2 7.774e-10 7.606e-10 -9.109 -9.119 -0.009 (0)
------------------------------Saturation indices-------------------------------
Phase SI** log IAP log K(298 K, 1 atm)
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) -35.13 -38.23 -3.10 H2
H2O(g) -1.50 -0.00 1.50 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) -13.03 -15.92 -2.89 O2
Quartz -0.28 -4.26 -3.98 SiO2
SiO2(a) -1.55 -4.26 -2.71 SiO2
**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
For ideal gases, phi = 1.
Reaction step 12.
Using solution 1. PURE WATER
Using pure phase assemblage 1.
Using reaction 1.
Reaction 1.
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 K(T, P) Initial Final Delta
Gibbsite -1.35 6.70 8.05 0.000e+00 0 0.000e+00
K-feldspar -1.30 -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 -0.29 5.41 5.71 0.000e+00 0 0.000e+00
-----------------------------Solution composition------------------------------
Elements Molality Moles
Al 1.804e-07 1.804e-07
K 4.273e-05 4.273e-05
Si 1.282e-04 1.282e-04
----------------------------Description of solution----------------------------
pH = 9.223 Charge balance
pe = 8.396 Adjusted to redox equilibrium
Specific Conductance (µS/cm, 25°C) = 6
Density (g/cm³) = 0.99705
Volume (L) = 1.00297
Viscosity (mPa s) = 0.89004
Activity of water = 1.000
Ionic strength (mol/kgw) = 4.273e-05
Mass of water (kg) = 1.000e+00
Total alkalinity (eq/kg) = 4.327e-05
Temperature (°C) = 25.00
Electrical balance (eq) = -3.049e-17
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00
Iterations = 15
Total H = 1.110124e+02
Total O = 5.550647e+01
----------------------------Distribution of species----------------------------
Log Log Log mole V
Species Molality Activity Molality Activity Gamma cm³/mol
OH- 1.704e-05 1.692e-05 -4.768 -4.772 -0.003 -4.13
H+ 6.029e-10 5.984e-10 -9.220 -9.223 -0.003 0.00
H2O 5.551e+01 1.000e+00 1.744 -0.000 0.000 18.07
Al 1.804e-07
Al(OH)4- 1.804e-07 1.790e-07 -6.744 -6.747 -0.003 (0)
Al(OH)3 5.684e-11 5.684e-11 -10.245 -10.245 0.000 (0)
Al(OH)2+ 2.326e-13 2.308e-13 -12.633 -12.637 -0.003 (0)
AlOH+2 1.816e-17 1.762e-17 -16.741 -16.754 -0.013 -27.85
Al+3 1.136e-21 1.062e-21 -20.945 -20.974 -0.029 -42.48
H(0) 8.193e-39
H2 4.096e-39 4.096e-39 -38.388 -38.388 0.000 28.61
K 4.273e-05
K+ 4.273e-05 4.240e-05 -4.369 -4.373 -0.003 8.99
O(0) 4.968e-16
O2 2.484e-16 2.484e-16 -15.605 -15.605 0.000 30.40
Si 1.282e-04
H4SiO4 1.027e-04 1.027e-04 -3.989 -3.989 0.000 52.08
H3SiO4- 2.550e-05 2.530e-05 -4.594 -4.597 -0.003 27.95
H2SiO4-2 2.965e-09 2.877e-09 -8.528 -8.541 -0.013 (0)
------------------------------Saturation indices-------------------------------
Phase SI** log IAP log K(298 K, 1 atm)
Al(OH)3(a) -4.10 6.70 10.80 Al(OH)3
Chalcedony -0.44 -3.99 -3.55 SiO2
Gibbsite -1.35 6.70 8.05 Al(OH)3
H2(g) -35.29 -38.39 -3.10 H2
H2O(g) -1.50 -0.00 1.50 H2O
K-feldspar -1.30 -0.42 0.88 KAlSi3O8
K-mica 0.00 12.97 12.97 KAl3Si3O10(OH)2
Kaolinite -0.29 5.41 5.71 Al2Si2O5(OH)4
O2(g) -12.71 -15.60 -2.89 O2
Quartz -0.01 -3.99 -3.98 SiO2
SiO2(a) -1.28 -3.99 -2.71 SiO2
**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
For ideal gases, phi = 1.
Reaction step 13.
Using solution 1. PURE WATER
Using pure phase assemblage 1.
Using reaction 1.
Reaction 1.
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 K(T, P) 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 1.175e-07 1.175e-07
K 6.671e-05 6.671e-05
Si 2.001e-04 2.001e-04
----------------------------Description of solution----------------------------
pH = 9.303 Charge balance
pe = -3.515 Adjusted to redox equilibrium
Specific Conductance (µS/cm, 25°C) = 8
Density (g/cm³) = 0.99706
Volume (L) = 1.00297
Viscosity (mPa s) = 0.89004
Activity of water = 1.000
Ionic strength (mol/kgw) = 6.671e-05
Mass of water (kg) = 1.000e+00
Total alkalinity (eq/kg) = 6.706e-05
Temperature (°C) = 25.00
Electrical balance (eq) = -4.146e-13
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00
Iterations = 15
Total H = 1.110124e+02
Total O = 5.550662e+01
----------------------------Distribution of species----------------------------
Log Log Log mole V
Species Molality Activity Molality Activity Gamma cm³/mol
OH- 2.052e-05 2.033e-05 -4.688 -4.692 -0.004 -4.13
H+ 5.026e-10 4.979e-10 -9.299 -9.303 -0.004 0.00
H2O 5.551e+01 1.000e+00 1.744 -0.000 0.000 18.07
Al 1.175e-07
Al(OH)4- 1.174e-07 1.163e-07 -6.930 -6.934 -0.004 (0)
Al(OH)3 3.073e-11 3.073e-11 -10.512 -10.512 0.000 (0)
Al(OH)2+ 1.049e-13 1.039e-13 -12.979 -12.984 -0.004 (0)
AlOH+2 6.853e-18 6.599e-18 -17.164 -17.181 -0.016 -27.84
Al+3 3.599e-22 3.308e-22 -21.444 -21.480 -0.037 -42.47
H(0) 3.760e-15
H2 1.880e-15 1.880e-15 -14.726 -14.726 0.000 28.61
K 6.671e-05
K+ 6.671e-05 6.608e-05 -4.176 -4.180 -0.004 8.99
O(0) 0.000e+00
O2 0.000e+00 0.000e+00 -62.928 -62.928 0.000 30.40
Si 2.001e-04
H4SiO4 1.541e-04 1.541e-04 -3.812 -3.812 0.000 52.08
H3SiO4- 4.606e-05 4.562e-05 -4.337 -4.341 -0.004 27.95
H2SiO4-2 6.472e-09 6.232e-09 -8.189 -8.205 -0.016 (0)
------------------------------Saturation indices-------------------------------
Phase SI** log IAP log K(298 K, 1 atm)
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) -11.62 -14.73 -3.10 H2
H2O(g) -1.50 -0.00 1.50 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) -60.04 -62.93 -2.89 O2
Quartz 0.17 -3.81 -3.98 SiO2
SiO2(a) -1.10 -3.81 -2.71 SiO2
**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
For ideal gases, phi = 1.
Reaction step 14.
Using solution 1. PURE WATER
Using pure phase assemblage 1.
Using reaction 1.
Reaction 1.
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 K(T, P) 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 9.093e-06 9.093e-06
K-mica 0.00 12.97 12.97 0.000e+00 6.362e-05 6.362e-05
Kaolinite -0.72 4.99 5.71 0.000e+00 0 0.000e+00
-----------------------------Solution composition------------------------------
Elements Molality Moles
Al 5.973e-08 5.973e-08
K 1.273e-04 1.273e-04
Si 3.819e-04 3.819e-04
----------------------------Description of solution----------------------------
pH = 9.388 Charge balance
pe = 8.438 Adjusted to redox equilibrium
Specific Conductance (µS/cm, 25°C) = 14
Density (g/cm³) = 0.99707
Volume (L) = 1.00297
Viscosity (mPa s) = 0.89005
Activity of water = 1.000
Ionic strength (mol/kgw) = 1.273e-04
Mass of water (kg) = 1.000e+00
Total alkalinity (eq/kg) = 1.275e-04
Temperature (°C) = 25.00
Electrical balance (eq) = 1.541e-16
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 mole V
Species Molality Activity Molality Activity Gamma cm³/mol
OH- 2.506e-05 2.474e-05 -4.601 -4.607 -0.006 -4.13
H+ 4.144e-10 4.092e-10 -9.383 -9.388 -0.006 0.00
H2O 5.551e+01 1.000e+00 1.744 -0.000 0.000 18.07
Al 5.973e-08
Al(OH)4- 5.972e-08 5.895e-08 -7.224 -7.230 -0.006 (0)
Al(OH)3 1.280e-11 1.280e-11 -10.893 -10.893 0.000 (0)
Al(OH)2+ 3.600e-14 3.554e-14 -13.444 -13.449 -0.006 (0)
AlOH+2 1.954e-18 1.855e-18 -17.709 -17.732 -0.023 -27.83
Al+3 8.576e-23 7.641e-23 -22.067 -22.117 -0.050 -42.44
H(0) 3.149e-39
H2 1.575e-39 1.575e-39 -38.803 -38.803 0.000 28.61
K 1.273e-04
K+ 1.273e-04 1.256e-04 -3.895 -3.901 -0.006 8.99
O(0) 3.362e-15
O2 1.681e-15 1.681e-15 -14.774 -14.774 0.000 30.40
Si 3.819e-04
H4SiO4 2.797e-04 2.797e-04 -3.553 -3.553 0.000 52.08
H3SiO4- 1.021e-04 1.008e-04 -3.991 -3.996 -0.006 27.95
H2SiO4-2 1.765e-08 1.676e-08 -7.753 -7.776 -0.023 (0)
------------------------------Saturation indices-------------------------------
Phase SI** log IAP log K(298 K, 1 atm)
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) -35.70 -38.80 -3.10 H2
H2O(g) -1.50 -0.00 1.50 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) -11.88 -14.77 -2.89 O2
Quartz 0.43 -3.55 -3.98 SiO2
SiO2(a) -0.84 -3.55 -2.71 SiO2
**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
For ideal gases, phi = 1.
------------------
End of simulation.
------------------
------------------------------------
Reading input data for simulation 9.
------------------------------------
TITLE Simulation 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 " transfer"
40 PRINT " (umoles)"
50 FOR i = 2 TO 7
60 READ s$
70 IF EXISTS(i) THEN PRINT s$, GET(i,1), (GET(1) - GET(i))*1e6, GET(i,2), GET(i,3)
80 NEXT i
SELECTED_OUTPUT
file ex6C.sel
reset false
USER_PUNCH
headings pH+log[K] log[H4SiO4]
10 PUNCH LA("K+")-LA("H+") LA("H4SiO4")
USER_GRAPH
-headings 6C--Kinetics
10 PLOT_XY LA("H4SiO4"),(LA("K+")-LA("H+")), color = Blue, line_w = 2, symbol = None
END
-----
TITLE
-----
Simulation 6C.--kinetic calculation
-------------------------------------------
Beginning of initial solution calculations.
-------------------------------------------
Initial solution 1.
----------------------------------User print-----------------------------------
Transition Time K-feldspar LA(K/H) LA(H4SiO4)
transfer
(umoles)
-----------------------------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 (µS/cm, 25°C) = 0
Density (g/cm³) = 0.99704
Volume (L) = 1.00297
Viscosity (mPa s) = 0.89002
Activity of water = 1.000
Ionic strength (mol/kgw) = 1.006e-07
Mass of water (kg) = 1.000e+00
Total alkalinity (eq/kg) = 1.217e-09
Temperature (°C) = 25.00
Electrical balance (eq) = -1.216e-09
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.60
Iterations = 2
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+ 1.000e-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
Al 1.000e-13
Al(OH)4- 9.178e-14 9.175e-14 -13.037 -13.037 -0.000 (0)
Al(OH)3 4.868e-15 4.868e-15 -14.313 -14.313 0.000 (0)
Al(OH)2+ 3.305e-15 3.304e-15 -14.481 -14.481 -0.000 (0)
AlOH+2 4.222e-17 4.215e-17 -16.375 -16.375 -0.001 -27.87
Al+3 4.258e-19 4.244e-19 -18.371 -18.372 -0.001 -42.53
H(0) 1.416e-25
H2 7.079e-26 7.079e-26 -25.150 -25.150 0.000 28.61
K 1.000e-13
K+ 1.000e-13 9.996e-14 -13.000 -13.000 -0.000 8.98
O(0) 0.000e+00
O2 0.000e+00 0.000e+00 -42.080 -42.080 0.000 30.40
Si 3.000e-13
H4SiO4 2.996e-13 2.996e-13 -12.524 -12.524 0.000 52.08
H3SiO4- 4.419e-16 4.417e-16 -15.355 -15.355 -0.000 27.94
H2SiO4-2 3.009e-22 3.005e-22 -21.522 -21.522 -0.001 (0)
------------------------------Saturation indices-------------------------------
Phase SI** log IAP log K(298 K, 1 atm)
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) -22.05 -25.15 -3.10 H2
H2O(g) -1.50 -0.00 1.50 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
**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
For ideal gases, phi = 1.
-----------------------------------------
Beginning of batch-reaction calculations.
-----------------------------------------
Reaction step 1.
Using solution 1.
Using pure phase assemblage 1.
Using kinetics 1.
Kinetics 1.
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)
transfer
(umoles)
-------------------------------Phase assemblage--------------------------------
Moles in assemblage
Phase SI log IAP log K(T, P) 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 = 11.011 Adjusted to redox equilibrium
Specific Conductance (µS/cm, 25°C) = 0
Density (g/cm³) = 0.99704
Volume (L) = 1.00297
Viscosity (mPa s) = 0.89002
Activity of water = 1.000
Ionic strength (mol/kgw) = 1.019e-07
Mass of water (kg) = 1.000e+00
Total alkalinity (eq/kg) = 6.279e-09
Temperature (°C) = 25.00
Electrical balance (eq) = -1.216e-09
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.60
Iterations = 34
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 1.013e-07 -6.994 -6.994 -0.000 -4.14
H+ 9.997e-08 9.993e-08 -7.000 -7.000 -0.000 0.00
H2O 5.551e+01 1.000e+00 1.744 -0.000 0.000 18.07
Al 1.266e-09
Al(OH)4- 1.162e-09 1.161e-09 -8.935 -8.935 -0.000 (0)
Al(OH)3 6.157e-11 6.157e-11 -10.211 -10.211 0.000 (0)
Al(OH)2+ 4.178e-11 4.176e-11 -10.379 -10.379 -0.000 (0)
AlOH+2 5.332e-13 5.324e-13 -12.273 -12.274 -0.001 -27.87
Al+3 5.375e-15 5.357e-15 -14.270 -14.271 -0.001 -42.53
H(0) 1.346e-39
H2 6.732e-40 6.732e-40 -39.172 -39.172 0.000 28.61
K 1.266e-09
K+ 1.266e-09 1.265e-09 -8.898 -8.898 -0.000 8.98
O(0) 1.839e-14
O2 9.197e-15 9.197e-15 -14.036 -14.036 0.000 30.40
Si 3.797e-09
H4SiO4 3.791e-09 3.791e-09 -8.421 -8.421 0.000 52.08
H3SiO4- 5.596e-12 5.594e-12 -11.252 -11.252 -0.000 27.94
H2SiO4-2 3.814e-18 3.808e-18 -17.419 -17.419 -0.001 (0)
------------------------------Saturation indices-------------------------------
Phase SI** log IAP log K(298 K, 1 atm)
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) -36.07 -39.17 -3.10 H2
H2O(g) -1.50 -0.00 1.50 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) -11.14 -14.04 -2.89 O2
Quartz -4.44 -8.42 -3.98 SiO2
SiO2(a) -5.71 -8.42 -2.71 SiO2
**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
For ideal gases, phi = 1.
Reaction step 2.
Using solution 1.
Using pure phase assemblage 1.
Using kinetics 1.
Kinetics 1.
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)
transfer
(umoles)
-------------------------------Phase assemblage--------------------------------
Moles in assemblage
Phase SI log IAP log K(T, P) 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 = 10.987 Adjusted to redox equilibrium
Specific Conductance (µS/cm, 25°C) = 0
Density (g/cm³) = 0.99704
Volume (L) = 1.00297
Viscosity (mPa s) = 0.89002
Activity of water = 1.000
Ionic strength (mol/kgw) = 1.143e-07
Mass of water (kg) = 1.000e+00
Total alkalinity (eq/kg) = 5.690e-08
Temperature (°C) = 25.00
Electrical balance (eq) = -1.216e-09
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.53
Iterations = 9
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- 1.020e-07 1.020e-07 -6.991 -6.991 -0.000 -4.14
H+ 9.928e-08 9.924e-08 -7.003 -7.003 -0.000 0.00
H2O 5.551e+01 1.000e+00 1.744 -0.000 0.000 18.07
Al 1.392e-08
Al(OH)4- 1.279e-08 1.278e-08 -7.893 -7.893 -0.000 (0)
Al(OH)3 6.731e-10 6.731e-10 -9.172 -9.172 0.000 (0)
Al(OH)2+ 4.535e-10 4.534e-10 -9.343 -9.344 -0.000 (0)
AlOH+2 5.750e-12 5.741e-12 -11.240 -11.241 -0.001 -27.87
Al+3 5.756e-14 5.735e-14 -13.240 -13.241 -0.002 -42.53
H(0) 1.484e-39
H2 7.418e-40 7.418e-40 -39.130 -39.130 0.000 28.61
K 1.392e-08
K+ 1.392e-08 1.392e-08 -7.856 -7.856 -0.000 8.98
O(0) 1.515e-14
O2 7.576e-15 7.576e-15 -14.121 -14.121 0.000 30.40
Si 4.176e-08
H4SiO4 4.170e-08 4.170e-08 -7.380 -7.380 0.000 52.08
H3SiO4- 6.198e-11 6.196e-11 -10.208 -10.208 -0.000 27.94
H2SiO4-2 4.254e-17 4.247e-17 -16.371 -16.372 -0.001 (0)
------------------------------Saturation indices-------------------------------
Phase SI** log IAP log K(298 K, 1 atm)
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) -36.03 -39.13 -3.10 H2
H2O(g) -1.50 -0.00 1.50 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) -11.23 -14.12 -2.89 O2
Quartz -3.40 -7.38 -3.98 SiO2
SiO2(a) -4.67 -7.38 -2.71 SiO2
**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
For ideal gases, phi = 1.
Reaction step 3.
Using solution 1.
Using pure phase assemblage 1.
Using kinetics 1.
Kinetics 1.
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)
transfer
(umoles)
A: Gibbsite 1100 1.4048e-01 3.5642e-01 -6.3763e+00
-------------------------------Phase assemblage--------------------------------
Moles in assemblage
Phase SI log IAP log K(T, P) Initial Final Delta
Gibbsite -0.00 8.05 8.05 0.000e+00 9.946e-08 9.946e-08
K-mica -7.60 5.37 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 4.101e-08 4.101e-08
K 1.405e-07 1.405e-07
Si 4.214e-07 4.214e-07
----------------------------Description of solution----------------------------
pH = 7.209 Charge balance
pe = 10.746 Adjusted to redox equilibrium
Specific Conductance (µS/cm, 25°C) = 0
Density (g/cm³) = 0.99704
Volume (L) = 1.00297
Viscosity (mPa s) = 0.89003
Activity of water = 1.000
Ionic strength (mol/kgw) = 2.035e-07
Mass of water (kg) = 1.000e+00
Total alkalinity (eq/kg) = 2.647e-07
Temperature (°C) = 25.00
Electrical balance (eq) = -1.216e-09
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.30
Iterations = 10
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- 1.639e-07 1.638e-07 -6.785 -6.786 -0.000 -4.14
H+ 6.183e-08 6.180e-08 -7.209 -7.209 -0.000 0.00
H2O 5.551e+01 1.000e+00 1.744 -0.000 0.000 18.07
Al 4.101e-08
Al(OH)4- 3.919e-08 3.916e-08 -7.407 -7.407 -0.000 (0)
Al(OH)3 1.284e-09 1.284e-09 -8.891 -8.891 0.000 (0)
Al(OH)2+ 5.388e-10 5.386e-10 -9.269 -9.269 -0.000 (0)
AlOH+2 4.255e-12 4.246e-12 -11.371 -11.372 -0.001 -27.87
Al+3 2.654e-14 2.642e-14 -13.576 -13.578 -0.002 -42.53
H(0) 1.742e-39
H2 8.708e-40 8.708e-40 -39.060 -39.060 0.000 28.61
K 1.405e-07
K+ 1.405e-07 1.404e-07 -6.852 -6.853 -0.000 8.98
O(0) 1.099e-14
O2 5.497e-15 5.497e-15 -14.260 -14.260 0.000 30.40
Si 4.214e-07
H4SiO4 4.204e-07 4.204e-07 -6.376 -6.376 0.000 52.08
H3SiO4- 1.004e-09 1.003e-09 -8.998 -8.999 -0.000 27.94
H2SiO4-2 1.107e-15 1.104e-15 -14.956 -14.957 -0.001 (0)
------------------------------Saturation indices-------------------------------
Phase SI** log IAP log K(298 K, 1 atm)
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) -35.96 -39.06 -3.10 H2
H2O(g) -1.50 -0.00 1.50 H2O
K-feldspar -11.60 -10.72 0.88 KAlSi3O8
K-mica -7.60 5.37 12.97 KAl3Si3O10(OH)2
Kaolinite -2.36 3.35 5.71 Al2Si2O5(OH)4
O2(g) -11.37 -14.26 -2.89 O2
Quartz -2.40 -6.38 -3.98 SiO2
SiO2(a) -3.66 -6.38 -2.71 SiO2
**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
For ideal gases, phi = 1.
Reaction step 4.
Using solution 1.
Using pure phase assemblage 1.
Using kinetics 1.
Kinetics 1.
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)
transfer
(umoles)
A: Gibbsite 1100 1.4048e-01 3.5642e-01 -6.3763e+00
-------------------------------Phase assemblage--------------------------------
Moles in assemblage
Phase SI log IAP log K(T, P) Initial Final Delta
Gibbsite 0.00 8.05 8.05 9.946e-08 1.144e-06 1.045e-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 2.620e-07 2.620e-07
K 1.406e-06 1.406e-06
Si 4.218e-06 4.218e-06
----------------------------Description of solution----------------------------
pH = 8.032 Charge balance
pe = -2.768 Adjusted to redox equilibrium
Specific Conductance (µS/cm, 25°C) = 0
Density (g/cm³) = 0.99704
Volume (L) = 1.00297
Viscosity (mPa s) = 0.89003
Activity of water = 1.000
Ionic strength (mol/kgw) = 1.416e-06
Mass of water (kg) = 1.000e+00
Total alkalinity (eq/kg) = 2.193e-06
Temperature (°C) = 25.00
Electrical balance (eq) = -1.216e-09
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.04
Iterations = 137
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- 1.090e-06 1.089e-06 -5.963 -5.963 -0.001 -4.14
H+ 9.311e-09 9.298e-09 -8.031 -8.032 -0.001 0.00
H2O 5.551e+01 1.000e+00 1.744 -0.000 0.000 18.07
Al 2.620e-07
Al(OH)4- 2.606e-07 2.603e-07 -6.584 -6.585 -0.001 (0)
Al(OH)3 1.284e-09 1.284e-09 -8.891 -8.891 0.000 (0)
Al(OH)2+ 8.115e-11 8.104e-11 -10.091 -10.091 -0.001 (0)
AlOH+2 9.668e-14 9.614e-14 -13.015 -13.017 -0.002 -27.87
Al+3 9.113e-17 8.999e-17 -16.040 -16.046 -0.005 -42.52
H(0) 4.202e-14
H2 2.101e-14 2.101e-14 -13.678 -13.678 0.000 28.61
K 1.406e-06
K+ 1.406e-06 1.404e-06 -5.852 -5.853 -0.001 8.98
O(0) 0.000e+00
O2 0.000e+00 0.000e+00 -65.025 -65.025 0.000 30.40
Si 4.218e-06
H4SiO4 4.152e-06 4.152e-06 -5.382 -5.382 0.000 52.08
H3SiO4- 6.594e-08 6.584e-08 -7.181 -7.181 -0.001 27.94
H2SiO4-2 4.844e-13 4.817e-13 -12.315 -12.317 -0.002 (0)
------------------------------Saturation indices-------------------------------
Phase SI** log IAP log K(298 K, 1 atm)
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) -10.58 -13.68 -3.10 H2
H2O(g) -1.50 -0.00 1.50 H2O
K-feldspar -6.79 -5.92 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) -62.13 -65.02 -2.89 O2
Quartz -1.40 -5.38 -3.98 SiO2
SiO2(a) -2.67 -5.38 -2.71 SiO2
**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
For ideal gases, phi = 1.
Reaction step 5.
Using solution 1.
Using pure phase assemblage 1.
Using kinetics 1.
Kinetics 1.
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)
transfer
(umoles)
A: Gibbsite 1100 1.4048e-01 3.5642e-01 -6.3763e+00
B: Gibbsite -> Kaolinite 1.7434e+05 2.2064e+00 2.5575e+00 -5.1950e+00
C: Gibbsite -> Kaolinite 2.3929e+05 3.0284e+00 2.8317e+00 -5.1945e+00
-------------------------------Phase assemblage--------------------------------
Moles in assemblage
Phase SI log IAP log K(T, P) Initial Final Delta
Gibbsite -0.59 7.45 8.05 1.144e-06 0 -1.144e-06
K-mica -0.28 12.69 12.97 0.000e+00 0 0.000e+00
Kaolinite 0.00 5.71 5.71 0.000e+00 6.730e-06 6.730e-06
-----------------------------Solution composition------------------------------
Elements Molality Moles
Al 5.993e-07 5.993e-07
K 1.406e-05 1.406e-05
Si 2.872e-05 2.872e-05
----------------------------Description of solution----------------------------
pH = 8.987 Charge balance
pe = -3.532 Adjusted to redox equilibrium
Specific Conductance (µS/cm, 25°C) = 3
Density (g/cm³) = 0.99705
Volume (L) = 1.00297
Viscosity (mPa s) = 0.89003
Activity of water = 1.000
Ionic strength (mol/kgw) = 1.406e-05
Mass of water (kg) = 1.000e+00
Total alkalinity (eq/kg) = 1.586e-05
Temperature (°C) = 25.00
Electrical balance (eq) = -1.216e-09
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 mole V
Species Molality Activity Molality Activity Gamma cm³/mol
OH- 9.856e-06 9.813e-06 -5.006 -5.008 -0.002 -4.13
H+ 1.036e-09 1.031e-09 -8.985 -8.987 -0.002 0.00
H2O 5.551e+01 1.000e+00 1.744 -0.000 0.000 18.07
Al 5.993e-07
Al(OH)4- 5.990e-07 5.964e-07 -6.223 -6.224 -0.002 (0)
Al(OH)3 3.264e-10 3.264e-10 -9.486 -9.486 0.000 (0)
Al(OH)2+ 2.295e-12 2.285e-12 -11.639 -11.641 -0.002 (0)
AlOH+2 3.060e-16 3.007e-16 -15.514 -15.522 -0.008 -27.86
Al+3 3.247e-20 3.122e-20 -19.489 -19.506 -0.017 -42.50
H(0) 1.747e-14
H2 8.737e-15 8.737e-15 -14.059 -14.059 0.000 28.61
K 1.406e-05
K+ 1.406e-05 1.400e-05 -4.852 -4.854 -0.002 8.98
O(0) 0.000e+00
O2 0.000e+00 0.000e+00 -64.263 -64.263 0.000 30.40
Si 2.872e-05
H4SiO4 2.511e-05 2.511e-05 -4.600 -4.600 0.000 52.08
H3SiO4- 3.606e-06 3.590e-06 -5.443 -5.445 -0.002 27.95
H2SiO4-2 2.409e-10 2.368e-10 -9.618 -9.626 -0.008 (0)
------------------------------Saturation indices-------------------------------
Phase SI** log IAP log K(298 K, 1 atm)
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) -10.96 -14.06 -3.10 H2
H2O(g) -1.50 -0.00 1.50 H2O
K-feldspar -3.09 -2.21 0.88 KAlSi3O8
K-mica -0.28 12.69 12.97 KAl3Si3O10(OH)2
Kaolinite 0.00 5.71 5.71 Al2Si2O5(OH)4
O2(g) -61.37 -64.26 -2.89 O2
Quartz -0.62 -4.60 -3.98 SiO2
SiO2(a) -1.89 -4.60 -2.71 SiO2
**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
For ideal gases, phi = 1.
Reaction step 6.
Using solution 1.
Using pure phase assemblage 1.
Using kinetics 1.
Kinetics 1.
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)
transfer
(umoles)
A: Gibbsite 1100 1.4048e-01 3.5642e-01 -6.3763e+00
B: Gibbsite -> Kaolinite 1.7434e+05 2.2064e+00 2.5575e+00 -5.1950e+00
C: Gibbsite -> Kaolinite 2.3929e+05 3.0284e+00 2.8317e+00 -5.1945e+00
D: Kaolinite -> K-mica 1.5967e+06 2.0194e+01 4.4080e+00 -4.4630e+00
E: Kaolinite -> K-mica 2.6017e+06 3.2848e+01 4.4087e+00 -4.2499e+00
-------------------------------Phase assemblage--------------------------------
Moles in assemblage
Phase SI log IAP log K(T, P) 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 6.730e-06 0 -6.730e-06
-----------------------------Solution composition------------------------------
Elements Molality Moles
Al 9.244e-08 9.244e-08
K 8.445e-05 8.445e-05
Si 2.534e-04 2.533e-04
----------------------------Description of solution----------------------------
pH = 9.338 Charge balance
pe = 9.197 Adjusted to redox equilibrium
Specific Conductance (µS/cm, 25°C) = 10
Density (g/cm³) = 0.99706
Volume (L) = 1.00297
Viscosity (mPa s) = 0.89004
Activity of water = 1.000
Ionic strength (mol/kgw) = 8.446e-05
Mass of water (kg) = 1.000e+00
Total alkalinity (eq/kg) = 8.473e-05
Temperature (°C) = 25.00
Electrical balance (eq) = -1.219e-09
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00
Iterations = 3370
Total H = 1.110123e+02
Total O = 5.550672e+01
----------------------------Distribution of species----------------------------
Log Log Log mole V
Species Molality Activity Molality Activity Gamma cm³/mol
OH- 2.227e-05 2.204e-05 -4.652 -4.657 -0.005 -4.13
H+ 4.641e-10 4.593e-10 -9.333 -9.338 -0.005 0.00
H2O 5.551e+01 1.000e+00 1.744 -0.000 0.000 18.07
Al 9.244e-08
Al(OH)4- 9.242e-08 9.144e-08 -7.034 -7.039 -0.005 (0)
Al(OH)3 2.228e-11 2.228e-11 -10.652 -10.652 0.000 (0)
Al(OH)2+ 7.020e-14 6.946e-14 -13.154 -13.158 -0.005 (0)
AlOH+2 4.247e-18 4.070e-18 -17.372 -17.390 -0.018 -27.84
Al+3 2.069e-22 1.882e-22 -21.684 -21.725 -0.041 -42.46
H(0) 0.000e+00
H2 0.000e+00 0.000e+00 -40.221 -40.221 0.000 28.61
K 8.445e-05
K+ 8.445e-05 8.355e-05 -4.073 -4.078 -0.005 8.99
O(0) 2.302e-12
O2 1.151e-12 1.151e-12 -11.939 -11.939 0.000 30.40
Si 2.534e-04
H4SiO4 1.913e-04 1.913e-04 -3.718 -3.718 0.000 52.08
H3SiO4- 6.207e-05 6.141e-05 -4.207 -4.212 -0.005 27.95
H2SiO4-2 9.490e-09 9.095e-09 -8.023 -8.041 -0.018 (0)
------------------------------Saturation indices-------------------------------
Phase SI** log IAP log K(298 K, 1 atm)
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) -37.12 -40.22 -3.10 H2
H2O(g) -1.50 -0.00 1.50 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) -9.05 -11.94 -2.89 O2
Quartz 0.26 -3.72 -3.98 SiO2
SiO2(a) -1.01 -3.72 -2.71 SiO2
**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
For ideal gases, phi = 1.
Reaction step 7.
Using solution 1.
Using pure phase assemblage 1.
Using kinetics 1.
Kinetics 1.
Time step: 1e+08 seconds (Incremented time: 1.11111e+08 seconds)
Rate name Delta Moles Total Moles Reactant Coefficient
K-feldspar -6.428e-05 1.940e+00 K-feldspar 1
----------------------------------User print-----------------------------------
Transition Time K-feldspar LA(K/H) LA(H4SiO4)
transfer
(umoles)
A: Gibbsite 1100 1.4048e-01 3.5642e-01 -6.3763e+00
B: Gibbsite -> Kaolinite 1.7434e+05 2.2064e+00 2.5575e+00 -5.1950e+00
C: Gibbsite -> Kaolinite 2.3929e+05 3.0284e+00 2.8317e+00 -5.1945e+00
D: Kaolinite -> K-mica 1.5967e+06 2.0194e+01 4.4080e+00 -4.4630e+00
E: Kaolinite -> K-mica 2.6017e+06 3.2848e+01 4.4087e+00 -4.2499e+00
F: K-mica -> K-feldspar 4.7638e+07 1.9074e+02 5.4868e+00 -3.5536e+00
-------------------------------Phase assemblage--------------------------------
Moles in assemblage
Phase SI log IAP log K(T, P) 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 6.362e-05 2.144e-05
Kaolinite -0.72 4.99 5.71 0.000e+00 0 0.000e+00
-----------------------------Solution composition------------------------------
Elements Molality Moles
Al 5.973e-08 5.973e-08
K 1.273e-04 1.273e-04
Si 3.819e-04 3.819e-04
----------------------------Description of solution----------------------------
pH = 9.388 Charge balance
pe = 9.153 Adjusted to redox equilibrium
Specific Conductance (µS/cm, 25°C) = 14
Density (g/cm³) = 0.99707
Volume (L) = 1.00297
Viscosity (mPa s) = 0.89005
Activity of water = 1.000
Ionic strength (mol/kgw) = 1.273e-04
Mass of water (kg) = 1.000e+00
Total alkalinity (eq/kg) = 1.275e-04
Temperature (°C) = 25.00
Electrical balance (eq) = -1.220e-09
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 mole V
Species Molality Activity Molality Activity Gamma cm³/mol
OH- 2.506e-05 2.474e-05 -4.601 -4.607 -0.006 -4.13
H+ 4.144e-10 4.091e-10 -9.383 -9.388 -0.006 0.00
H2O 5.551e+01 1.000e+00 1.744 -0.000 0.000 18.07
Al 5.973e-08
Al(OH)4- 5.972e-08 5.895e-08 -7.224 -7.230 -0.006 (0)
Al(OH)3 1.280e-11 1.280e-11 -10.893 -10.893 0.000 (0)
Al(OH)2+ 3.600e-14 3.553e-14 -13.444 -13.449 -0.006 (0)
AlOH+2 1.954e-18 1.855e-18 -17.709 -17.732 -0.023 -27.83
Al+3 8.576e-23 7.641e-23 -22.067 -22.117 -0.050 -42.44
H(0) 0.000e+00
H2 0.000e+00 0.000e+00 -40.233 -40.233 0.000 28.61
K 1.273e-04
K+ 1.273e-04 1.256e-04 -3.895 -3.901 -0.006 8.99
O(0) 2.435e-12
O2 1.217e-12 1.218e-12 -11.915 -11.915 0.000 30.40
Si 3.819e-04
H4SiO4 2.797e-04 2.797e-04 -3.553 -3.553 0.000 52.08
H3SiO4- 1.021e-04 1.008e-04 -3.991 -3.996 -0.006 27.95
H2SiO4-2 1.765e-08 1.676e-08 -7.753 -7.776 -0.023 (0)
------------------------------Saturation indices-------------------------------
Phase SI** log IAP log K(298 K, 1 atm)
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) -37.13 -40.23 -3.10 H2
H2O(g) -1.50 -0.00 1.50 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) -9.02 -11.91 -2.89 O2
Quartz 0.43 -3.55 -3.98 SiO2
SiO2(a) -0.84 -3.55 -2.71 SiO2
**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
For ideal gases, phi = 1.
------------------
End of simulation.
------------------
-------------------------------------
Reading input data for simulation 10.
-------------------------------------
PRINT
user_print false
PHASES
K_H
KH = K+ - H+
no_check
USER_GRAPH
-initial_solutions true
10 PLOT_XY LA("H4SiO4"), SI("K_H"), color = Black, symbol = None
SOLUTION 1
pH 11
K 1 K_H 8
Al 1 Gibbsite
Si 1 K-mica
SOLUTION 2
pH 7
K 1 K-mica
Al 1 Gibbsite
Si 1 Kaolinite
SOLUTION 3
pH 7
K 1 K-mica
Al 1 K-feldspar
Si 1 Kaolinite
SOLUTION 4
pH 7
K 1 K_H -1
Al 1 Kaolinite
Si 1 K-feldspar
END
-------------------------------------------
Beginning of initial solution calculations.
-------------------------------------------
Initial solution 1.
-----------------------------Solution composition------------------------------
Elements Molality Moles
Al 2.515e-04 2.515e-04 Equilibrium with Gibbsite
K 1.039e-03 1.039e-03 Equilibrium with K_H
Si 6.661e-06 6.661e-06 Equilibrium with K-mica
----------------------------Description of solution----------------------------
pH = 11.000
pe = 4.000
Specific Conductance (µS/cm, 25°C) = 289
Density (g/cm³) = 0.99712
Volume (L) = 1.00297
Viscosity (mPa s) = 0.89020
Activity of water = 1.000
Ionic strength (mol/kgw) = 1.175e-03
Mass of water (kg) = 1.000e+00
Total alkalinity (eq/kg) = 2.064e-03
Temperature (°C) = 25.00
Electrical balance (eq) = -2.704e-04
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -11.51
Iterations = 5
Total H = 1.110145e+02
Total O = 5.550830e+01
----------------------------Distribution of species----------------------------
Log Log Log mole V
Species Molality Activity Molality Activity Gamma cm³/mol
OH- 1.052e-03 1.012e-03 -2.978 -2.995 -0.017 -4.10
H+ 1.037e-11 1.000e-11 -10.984 -11.000 -0.016 0.00
H2O 5.551e+01 1.000e+00 1.744 -0.000 0.000 18.07
Al 2.515e-04
Al(OH)4- 2.515e-04 2.420e-04 -3.600 -3.616 -0.017 (0)
Al(OH)3 1.284e-09 1.284e-09 -8.892 -8.891 0.000 (0)
Al(OH)2+ 9.053e-14 8.715e-14 -13.043 -13.060 -0.016 (0)
AlOH+2 1.294e-19 1.112e-19 -18.888 -18.954 -0.066 -27.75
Al+3 1.556e-25 1.120e-25 -24.808 -24.951 -0.143 -42.27
H(0) 1.416e-33
H2 7.078e-34 7.079e-34 -33.150 -33.150 0.000 28.61
K 1.039e-03
K+ 1.039e-03 1.000e-03 -2.983 -3.000 -0.017 9.01
O(0) 1.663e-26
O2 8.315e-27 8.317e-27 -26.080 -26.080 0.000 30.40
Si 6.661e-06
H3SiO4- 6.208e-06 5.974e-06 -5.207 -5.224 -0.017 27.98
H4SiO4 4.050e-07 4.051e-07 -6.393 -6.392 0.000 52.08
H2SiO4-2 4.730e-08 4.064e-08 -7.325 -7.391 -0.066 (0)
------------------------------Saturation indices-------------------------------
Phase SI** log IAP log K(298 K, 1 atm)
Al(OH)3(a) -2.75 8.05 10.80 Al(OH)3
Chalcedony -2.84 -6.39 -3.55 SiO2
Gibbsite -0.00 8.05 8.05 Al(OH)3
H2(g) -30.05 -33.15 -3.10 H2
H2O(g) -1.50 -0.00 1.50 H2O
K-feldspar -4.00 -3.13 0.88 KAlSi3O8
K-mica -0.00 12.97 12.97 KAl3Si3O10(OH)2
K_H 8.00 8.00 0.00 KH
Kaolinite -2.39 3.31 5.71 Al2Si2O5(OH)4
O2(g) -23.19 -26.08 -2.89 O2
Quartz -2.41 -6.39 -3.98 SiO2
SiO2(a) -3.68 -6.39 -2.71 SiO2
**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
For ideal gases, phi = 1.
Initial solution 2.
-----------------------------Solution composition------------------------------
Elements Molality Moles
Al 2.741e-08 2.741e-08 Equilibrium with Gibbsite
K 2.666e-03 2.666e-03 Equilibrium with K-mica
Si 6.390e-06 6.390e-06 Equilibrium with Kaolinite
----------------------------Description of solution----------------------------
pH = 7.000
pe = 4.000
Specific Conductance (µS/cm, 25°C) = 189
Density (g/cm³) = 0.99712
Volume (L) = 1.00299
Viscosity (mPa s) = 0.89010
Activity of water = 1.000
Ionic strength (mol/kgw) = 1.333e-03
Mass of water (kg) = 1.000e+00
Total alkalinity (eq/kg) = 1.178e-07
Temperature (°C) = 25.00
Electrical balance (eq) = 2.666e-03
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 99.99
Iterations = 7 (12 overall)
Total H = 1.110125e+02
Total O = 5.550624e+01
----------------------------Distribution of species----------------------------
Log Log Log mole V
Species Molality Activity Molality Activity Gamma cm³/mol
OH- 1.055e-07 1.012e-07 -6.977 -6.995 -0.018 -4.10
H+ 1.039e-07 1.000e-07 -6.983 -7.000 -0.017 0.00
H2O 5.551e+01 1.000e+00 1.744 -0.000 0.000 18.07
Al 2.741e-08
Al(OH)4- 2.521e-08 2.420e-08 -7.598 -7.616 -0.018 (0)
Al(OH)3 1.284e-09 1.284e-09 -8.892 -8.891 0.000 (0)
Al(OH)2+ 9.074e-10 8.716e-10 -9.042 -9.060 -0.017 (0)
AlOH+2 1.306e-11 1.112e-11 -10.884 -10.954 -0.070 -27.74
Al+3 1.586e-13 1.120e-13 -12.800 -12.951 -0.151 -42.25
H(0) 1.415e-25
H2 7.077e-26 7.079e-26 -25.150 -25.150 0.000 28.61
K 2.666e-03
K+ 2.666e-03 2.558e-03 -2.574 -2.592 -0.018 9.01
O(0) 0.000e+00
O2 0.000e+00 0.000e+00 -42.080 -42.080 0.000 30.40
Si 6.390e-06
H4SiO4 6.380e-06 6.382e-06 -5.195 -5.195 0.000 52.08
H3SiO4- 9.803e-09 9.410e-09 -8.009 -8.026 -0.018 27.98
H2SiO4-2 7.520e-15 6.401e-15 -14.124 -14.194 -0.070 (0)
------------------------------Saturation indices-------------------------------
Phase SI** log IAP log K(298 K, 1 atm)
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) -22.05 -25.15 -3.10 H2
H2O(g) -1.50 -0.00 1.50 H2O
K-feldspar -4.00 -3.13 0.88 KAlSi3O8
K-mica 0.00 12.97 12.97 KAl3Si3O10(OH)2
K_H 4.41 4.41 0.00 KH
Kaolinite -0.00 5.71 5.71 Al2Si2O5(OH)4
O2(g) -39.19 -42.08 -2.89 O2
Quartz -1.21 -5.20 -3.98 SiO2
SiO2(a) -2.48 -5.20 -2.71 SiO2
**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
For ideal gases, phi = 1.
Initial solution 3.
-----------------------------Solution composition------------------------------
Elements Molality Moles
Al 2.731e-10 2.731e-10 Equilibrium with K-feldspar
K 2.666e-03 2.666e-03 Equilibrium with K-mica
Si 6.412e-04 6.412e-04 Equilibrium with Kaolinite
----------------------------Description of solution----------------------------
pH = 7.000
pe = 4.000
Specific Conductance (µS/cm, 25°C) = 189
Density (g/cm³) = 0.99715
Volume (L) = 1.00302
Viscosity (mPa s) = 0.89005
Activity of water = 1.000
Ionic strength (mol/kgw) = 1.333e-03
Mass of water (kg) = 1.000e+00
Total alkalinity (eq/kg) = 9.863e-07
Temperature (°C) = 25.00
Electrical balance (eq) = 2.665e-03
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 99.92
Iterations = 7 (19 overall)
Total H = 1.110150e+02
Total O = 5.550878e+01
----------------------------Distribution of species----------------------------
Log Log Log mole V
Species Molality Activity Molality Activity Gamma cm³/mol
OH- 1.055e-07 1.012e-07 -6.977 -6.995 -0.018 -4.10
H+ 1.039e-07 1.000e-07 -6.983 -7.000 -0.017 0.00
H2O 5.551e+01 9.999e-01 1.744 -0.000 0.000 18.07
Al 2.731e-10
Al(OH)4- 2.512e-10 2.412e-10 -9.600 -9.618 -0.018 (0)
Al(OH)3 1.279e-11 1.280e-11 -10.893 -10.893 0.000 (0)
Al(OH)2+ 9.042e-12 8.685e-12 -11.044 -11.061 -0.017 (0)
AlOH+2 1.302e-13 1.108e-13 -12.885 -12.955 -0.070 -27.74
Al+3 1.581e-15 1.116e-15 -14.801 -14.952 -0.151 -42.25
H(0) 1.415e-25
H2 7.077e-26 7.079e-26 -25.150 -25.150 0.000 28.61
K 2.666e-03
K+ 2.666e-03 2.558e-03 -2.574 -2.592 -0.018 9.01
O(0) 0.000e+00
O2 0.000e+00 0.000e+00 -42.080 -42.080 0.000 30.40
Si 6.412e-04
H4SiO4 6.402e-04 6.404e-04 -3.194 -3.194 0.000 52.08
H3SiO4- 9.837e-07 9.443e-07 -6.007 -6.025 -0.018 27.98
H2SiO4-2 7.546e-13 6.423e-13 -12.122 -12.192 -0.070 (0)
------------------------------Saturation indices-------------------------------
Phase SI** log IAP log K(298 K, 1 atm)
Al(OH)3(a) -4.75 6.05 10.80 Al(OH)3
Chalcedony 0.36 -3.19 -3.55 SiO2
Gibbsite -2.00 6.05 8.05 Al(OH)3
H2(g) -22.05 -25.15 -3.10 H2
H2O(g) -1.50 -0.00 1.50 H2O
K-feldspar 0.00 0.88 0.88 KAlSi3O8
K-mica -0.00 12.97 12.97 KAl3Si3O10(OH)2
K_H 4.41 4.41 0.00 KH
Kaolinite -0.00 5.71 5.71 Al2Si2O5(OH)4
O2(g) -39.19 -42.08 -2.89 O2
Quartz 0.79 -3.19 -3.98 SiO2
SiO2(a) -0.48 -3.19 -2.71 SiO2
**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
For ideal gases, phi = 1.
Initial solution 4.
-----------------------------Solution composition------------------------------
Elements Molality Moles
Al 5.251e-13 5.251e-13 Equilibrium with Kaolinite
K 1.018e-08 1.018e-08 Equilibrium with K_H
Si 3.205e-01 3.205e-01 Equilibrium with K-feldspar
----------------------------Description of solution----------------------------
pH = 7.000
pe = 4.000
Specific Conductance (µS/cm, 25°C) = 0
Density (g/cm³) = 1.01094
Volume (L) = 1.01964
Viscosity (mPa s) = 0.89002
Activity of water = 0.995
Ionic strength (mol/kgw) = 2.403e-04
Mass of water (kg) = 1.000e+00
Total alkalinity (eq/kg) = 4.803e-04
Temperature (°C) = 25.00
Electrical balance (eq) = -4.803e-04
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -99.95
Iterations = 10 (29 overall)
Total H = 1.122938e+02
Total O = 5.678810e+01
----------------------------Distribution of species----------------------------
Log Log Log mole V
Species Molality Activity Molality Activity Gamma cm³/mol
OH- 1.025e-07 1.007e-07 -6.989 -6.997 -0.008 -4.12
H+ 1.018e-07 1.000e-07 -6.992 -7.000 -0.008 0.00
H2O 5.551e+01 9.946e-01 1.744 -0.002 0.000 18.07
Al 5.251e-13
Al(OH)4- 4.821e-13 4.736e-13 -12.317 -12.325 -0.008 (0)
Al(OH)3 2.526e-14 2.526e-14 -13.598 -13.597 0.000 (0)
Al(OH)2+ 1.755e-14 1.724e-14 -13.756 -13.763 -0.008 (0)
AlOH+2 2.374e-16 2.212e-16 -15.624 -15.655 -0.031 -27.82
Al+3 2.619e-18 2.239e-18 -17.582 -17.650 -0.068 -42.41
H(0) 1.416e-25
H2 7.079e-26 7.079e-26 -25.150 -25.150 0.000 28.61
K 1.018e-08
K+ 1.018e-08 1.000e-08 -7.992 -8.000 -0.008 8.99
O(0) 0.000e+00
O2 0.000e+00 0.000e+00 -42.085 -42.085 0.000 30.40
Si 3.205e-01
H4SiO4 3.200e-01 3.200e-01 -0.495 -0.495 0.000 52.08
H3SiO4- 4.803e-04 4.719e-04 -3.318 -3.326 -0.008 27.96
H2SiO4-2 3.445e-10 3.210e-10 -9.463 -9.494 -0.031 (0)
------------------------------Saturation indices-------------------------------
Phase SI** log IAP log K(298 K, 1 atm)
Al(OH)3(a) -7.46 3.34 10.80 Al(OH)3
Chalcedony 3.06 -0.49 -3.55 SiO2
Gibbsite -4.71 3.34 8.05 Al(OH)3
H2(g) -22.05 -25.15 -3.10 H2
H2O(g) -1.51 -0.00 1.50 H2O
K-feldspar 0.00 0.88 0.88 KAlSi3O8
K-mica -5.40 7.57 12.97 KAl3Si3O10(OH)2
K_H -1.00 -1.00 0.00 KH
Kaolinite -0.00 5.71 5.71 Al2Si2O5(OH)4
O2(g) -39.19 -42.08 -2.89 O2
Quartz 3.49 -0.49 -3.98 SiO2
SiO2(a) 2.22 -0.49 -2.71 SiO2
**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
For ideal gases, phi = 1.
------------------
End of simulation.
------------------
-------------------------------------
Reading input data for simulation 11.
-------------------------------------
USER_GRAPH
10 PLOT_XY LA("H4SiO4"), SI("K_H"), color = Black, symbol = None
SOLUTION 1
pH 11
K 1 K_H 8
Al 1 K-feldspar
Si 1 K-mica
SOLUTION 2
pH 7
K 1 K-mica
Al 1 K-feldspar
Si 1 Kaolinite
SOLUTION 3
pH 7
K 1 K-mica
Al 1 Gibbsite
Si 1 Kaolinite
SOLUTION 4
pH 7
K 1 K_H -1
Al 1 Gibbsite
Si 1 Kaolinite
END
-------------------------------------------
Beginning of initial solution calculations.
-------------------------------------------
Initial solution 1.
-----------------------------Solution composition------------------------------
Elements Molality Moles
Al 2.513e-06 2.513e-06 Equilibrium with K-feldspar
K 1.043e-03 1.043e-03 Equilibrium with K_H
Si 6.703e-04 6.703e-04 Equilibrium with K-mica
----------------------------Description of solution----------------------------
pH = 11.000
pe = 4.000
Specific Conductance (µS/cm, 25°C) = 280
Density (g/cm³) = 0.99714
Volume (L) = 1.00299
Viscosity (mPa s) = 0.89016
Activity of water = 1.000
Ionic strength (mol/kgw) = 1.372e-03
Mass of water (kg) = 1.000e+00
Total alkalinity (eq/kg) = 1.700e-03
Temperature (°C) = 25.00
Electrical balance (eq) = -6.497e-04
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -23.76
Iterations = 5
Total H = 1.110155e+02
Total O = 5.550996e+01
----------------------------Distribution of species----------------------------
Log Log Log mole V
Species Molality Activity Molality Activity Gamma cm³/mol
OH- 1.055e-03 1.012e-03 -2.977 -2.995 -0.018 -4.10
H+ 1.040e-11 1.000e-11 -10.983 -11.000 -0.017 0.00
H2O 5.551e+01 1.000e+00 1.744 -0.000 0.000 18.07
Al 2.513e-06
Al(OH)4- 2.513e-06 2.412e-06 -5.600 -5.618 -0.018 (0)
Al(OH)3 1.279e-11 1.280e-11 -10.893 -10.893 0.000 (0)
Al(OH)2+ 9.047e-16 8.685e-16 -15.043 -15.061 -0.018 (0)
AlOH+2 1.305e-21 1.108e-21 -20.884 -20.955 -0.071 -27.74
Al+3 1.588e-27 1.116e-27 -26.799 -26.952 -0.153 -42.25
H(0) 1.415e-33
H2 7.077e-34 7.079e-34 -33.150 -33.150 0.000 28.61
K 1.043e-03
K+ 1.043e-03 1.000e-03 -2.982 -3.000 -0.018 9.01
O(0) 1.663e-26
O2 8.314e-27 8.317e-27 -26.080 -26.080 0.000 30.40
Si 6.703e-04
H3SiO4- 6.249e-04 5.995e-04 -3.204 -3.222 -0.018 27.98
H4SiO4 4.064e-05 4.066e-05 -4.391 -4.391 0.000 52.08
H2SiO4-2 4.801e-06 4.078e-06 -5.319 -5.390 -0.071 (0)
------------------------------Saturation indices-------------------------------
Phase SI** log IAP log K(298 K, 1 atm)
Al(OH)3(a) -4.75 6.05 10.80 Al(OH)3
Chalcedony -0.84 -4.39 -3.55 SiO2
Gibbsite -2.00 6.05 8.05 Al(OH)3
H2(g) -30.05 -33.15 -3.10 H2
H2O(g) -1.50 -0.00 1.50 H2O
K-feldspar 0.00 0.88 0.88 KAlSi3O8
K-mica -0.00 12.97 12.97 KAl3Si3O10(OH)2
K_H 8.00 8.00 0.00 KH
Kaolinite -2.39 3.31 5.71 Al2Si2O5(OH)4
O2(g) -23.19 -26.08 -2.89 O2
Quartz -0.41 -4.39 -3.98 SiO2
SiO2(a) -1.68 -4.39 -2.71 SiO2
**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
For ideal gases, phi = 1.
Initial solution 2.
-----------------------------Solution composition------------------------------
Elements Molality Moles
Al 2.731e-10 2.731e-10 Equilibrium with K-feldspar
K 2.666e-03 2.666e-03 Equilibrium with K-mica
Si 6.412e-04 6.412e-04 Equilibrium with Kaolinite
----------------------------Description of solution----------------------------
pH = 7.000
pe = 4.000
Specific Conductance (µS/cm, 25°C) = 189
Density (g/cm³) = 0.99715
Volume (L) = 1.00302
Viscosity (mPa s) = 0.89005
Activity of water = 1.000
Ionic strength (mol/kgw) = 1.333e-03
Mass of water (kg) = 1.000e+00
Total alkalinity (eq/kg) = 9.863e-07
Temperature (°C) = 25.00
Electrical balance (eq) = 2.665e-03
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 99.92
Iterations = 7 (12 overall)
Total H = 1.110150e+02
Total O = 5.550878e+01
----------------------------Distribution of species----------------------------
Log Log Log mole V
Species Molality Activity Molality Activity Gamma cm³/mol
OH- 1.055e-07 1.012e-07 -6.977 -6.995 -0.018 -4.10
H+ 1.039e-07 1.000e-07 -6.983 -7.000 -0.017 0.00
H2O 5.551e+01 9.999e-01 1.744 -0.000 0.000 18.07
Al 2.731e-10
Al(OH)4- 2.512e-10 2.412e-10 -9.600 -9.618 -0.018 (0)
Al(OH)3 1.279e-11 1.280e-11 -10.893 -10.893 0.000 (0)
Al(OH)2+ 9.042e-12 8.685e-12 -11.044 -11.061 -0.017 (0)
AlOH+2 1.302e-13 1.108e-13 -12.885 -12.955 -0.070 -27.74
Al+3 1.581e-15 1.116e-15 -14.801 -14.952 -0.151 -42.25
H(0) 1.415e-25
H2 7.077e-26 7.079e-26 -25.150 -25.150 0.000 28.61
K 2.666e-03
K+ 2.666e-03 2.558e-03 -2.574 -2.592 -0.018 9.01
O(0) 0.000e+00
O2 0.000e+00 0.000e+00 -42.080 -42.080 0.000 30.40
Si 6.412e-04
H4SiO4 6.402e-04 6.404e-04 -3.194 -3.194 0.000 52.08
H3SiO4- 9.837e-07 9.443e-07 -6.007 -6.025 -0.018 27.98
H2SiO4-2 7.546e-13 6.423e-13 -12.122 -12.192 -0.070 (0)
------------------------------Saturation indices-------------------------------
Phase SI** log IAP log K(298 K, 1 atm)
Al(OH)3(a) -4.75 6.05 10.80 Al(OH)3
Chalcedony 0.36 -3.19 -3.55 SiO2
Gibbsite -2.00 6.05 8.05 Al(OH)3
H2(g) -22.05 -25.15 -3.10 H2
H2O(g) -1.50 -0.00 1.50 H2O
K-feldspar 0.00 0.88 0.88 KAlSi3O8
K-mica -0.00 12.97 12.97 KAl3Si3O10(OH)2
K_H 4.41 4.41 0.00 KH
Kaolinite -0.00 5.71 5.71 Al2Si2O5(OH)4
O2(g) -39.19 -42.08 -2.89 O2
Quartz 0.79 -3.19 -3.98 SiO2
SiO2(a) -0.48 -3.19 -2.71 SiO2
**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
For ideal gases, phi = 1.
Initial solution 3.
-----------------------------Solution composition------------------------------
Elements Molality Moles
Al 2.741e-08 2.741e-08 Equilibrium with Gibbsite
K 2.666e-03 2.666e-03 Equilibrium with K-mica
Si 6.390e-06 6.390e-06 Equilibrium with Kaolinite
----------------------------Description of solution----------------------------
pH = 7.000
pe = 4.000
Specific Conductance (µS/cm, 25°C) = 189
Density (g/cm³) = 0.99712
Volume (L) = 1.00299
Viscosity (mPa s) = 0.89010
Activity of water = 1.000
Ionic strength (mol/kgw) = 1.333e-03
Mass of water (kg) = 1.000e+00
Total alkalinity (eq/kg) = 1.178e-07
Temperature (°C) = 25.00
Electrical balance (eq) = 2.666e-03
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 99.99
Iterations = 7 (19 overall)
Total H = 1.110125e+02
Total O = 5.550624e+01
----------------------------Distribution of species----------------------------
Log Log Log mole V
Species Molality Activity Molality Activity Gamma cm³/mol
OH- 1.055e-07 1.012e-07 -6.977 -6.995 -0.018 -4.10
H+ 1.039e-07 1.000e-07 -6.983 -7.000 -0.017 0.00
H2O 5.551e+01 1.000e+00 1.744 -0.000 0.000 18.07
Al 2.741e-08
Al(OH)4- 2.521e-08 2.420e-08 -7.598 -7.616 -0.018 (0)
Al(OH)3 1.284e-09 1.284e-09 -8.892 -8.891 0.000 (0)
Al(OH)2+ 9.074e-10 8.716e-10 -9.042 -9.060 -0.017 (0)
AlOH+2 1.306e-11 1.112e-11 -10.884 -10.954 -0.070 -27.74
Al+3 1.586e-13 1.120e-13 -12.800 -12.951 -0.151 -42.25
H(0) 1.415e-25
H2 7.077e-26 7.079e-26 -25.150 -25.150 0.000 28.61
K 2.666e-03
K+ 2.666e-03 2.558e-03 -2.574 -2.592 -0.018 9.01
O(0) 0.000e+00
O2 0.000e+00 0.000e+00 -42.080 -42.080 0.000 30.40
Si 6.390e-06
H4SiO4 6.380e-06 6.382e-06 -5.195 -5.195 0.000 52.08
H3SiO4- 9.803e-09 9.410e-09 -8.009 -8.026 -0.018 27.98
H2SiO4-2 7.520e-15 6.401e-15 -14.124 -14.194 -0.070 (0)
------------------------------Saturation indices-------------------------------
Phase SI** log IAP log K(298 K, 1 atm)
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) -22.05 -25.15 -3.10 H2
H2O(g) -1.50 -0.00 1.50 H2O
K-feldspar -4.00 -3.13 0.88 KAlSi3O8
K-mica 0.00 12.97 12.97 KAl3Si3O10(OH)2
K_H 4.41 4.41 0.00 KH
Kaolinite -0.00 5.71 5.71 Al2Si2O5(OH)4
O2(g) -39.19 -42.08 -2.89 O2
Quartz -1.21 -5.20 -3.98 SiO2
SiO2(a) -2.48 -5.20 -2.71 SiO2
**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
For ideal gases, phi = 1.
Initial solution 4.
-----------------------------Solution composition------------------------------
Elements Molality Moles
Al 2.638e-08 2.638e-08 Equilibrium with Gibbsite
K 1.000e-08 1.000e-08 Equilibrium with K_H
Si 6.392e-06 6.392e-06 Equilibrium with Kaolinite
----------------------------Description of solution----------------------------
pH = 7.000
pe = 4.000
Specific Conductance (µS/cm, 25°C) = 0
Density (g/cm³) = 0.99704
Volume (L) = 1.00297
Viscosity (mPa s) = 0.89002
Activity of water = 1.000
Ionic strength (mol/kgw) = 1.229e-07
Mass of water (kg) = 1.000e+00
Total alkalinity (eq/kg) = 1.131e-07
Temperature (°C) = 25.00
Electrical balance (eq) = -2.394e-08
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -9.74
Iterations = 6 (25 overall)
Total H = 1.110125e+02
Total O = 5.550624e+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+ 1.000e-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
Al 2.638e-08
Al(OH)4- 2.421e-08 2.420e-08 -7.616 -7.616 -0.000 (0)
Al(OH)3 1.284e-09 1.284e-09 -8.891 -8.891 0.000 (0)
Al(OH)2+ 8.719e-10 8.715e-10 -9.060 -9.060 -0.000 (0)
AlOH+2 1.114e-11 1.112e-11 -10.953 -10.954 -0.001 -27.87
Al+3 1.124e-13 1.119e-13 -12.949 -12.951 -0.002 -42.53
H(0) 1.416e-25
H2 7.079e-26 7.079e-26 -25.150 -25.150 0.000 28.61
K 1.000e-08
K+ 1.000e-08 1.000e-08 -8.000 -8.000 -0.000 8.98
O(0) 0.000e+00
O2 0.000e+00 0.000e+00 -42.080 -42.080 0.000 30.40
Si 6.392e-06
H4SiO4 6.383e-06 6.383e-06 -5.195 -5.195 0.000 52.08
H3SiO4- 9.415e-09 9.411e-09 -8.026 -8.026 -0.000 27.94
H2SiO4-2 6.412e-15 6.402e-15 -14.193 -14.194 -0.001 (0)
------------------------------Saturation indices-------------------------------
Phase SI** log IAP log K(298 K, 1 atm)
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) -22.05 -25.15 -3.10 H2
H2O(g) -1.50 -0.00 1.50 H2O
K-feldspar -9.41 -8.54 0.88 KAlSi3O8
K-mica -5.41 7.56 12.97 KAl3Si3O10(OH)2
K_H -1.00 -1.00 0.00 KH
Kaolinite -0.00 5.71 5.71 Al2Si2O5(OH)4
O2(g) -39.19 -42.08 -2.89 O2
Quartz -1.21 -5.20 -3.98 SiO2
SiO2(a) -2.48 -5.20 -2.71 SiO2
**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
For ideal gases, phi = 1.
------------------
End of simulation.
------------------
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Reading input data for simulation 12.
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