Input file: H:\ntc\03\Tuesday\peph.pqi
  Output file: H:\ntc\03\Tuesday\peph.pqo
Database file: C:\Program Files\USGS\Phreeqc Interactive 2.7\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.
------------------------------------

	DATABASE C:\Program Files\USGS\Phreeqc Interactive 2.7\phreeqc.dat
	SELECTED_OUTPUT
		file	phpe.sel
		reset false
		solution
	USER_PUNCH
		headings	solution pe
	10 PUNCH S-LA("e-")
	SOLUTION 0
		pH	0
		pe	0	H2(g) 0
	SOLUTION 1
		pH	1
		pe	-1	H2(g) 0
	SOLUTION 2
		pH	2
		pe	-2	H2(g) 0
	SOLUTION 3
		pH	3
		pe	-3	H2(g) 0
	SOLUTION 4
		pH	4
		pe	-4	H2(g) 0
	SOLUTION 5
		pH	5
		pe	-5	H2(g) 0
	SOLUTION 6
		pH	6
		pe	-6	H2(g) 0
	SOLUTION 7
		pH	7
		pe	-7	H2(g) 0
	SOLUTION 8
		pH	8
		pe	-8	H2(g) 0
	SOLUTION 9
		pH	9
		pe	-9	H2(g) 0
	SOLUTION 10
		pH	10
		pe	-10	H2(g) 0
	SOLUTION 11
		pH	11
		pe	-11	H2(g) 0
	SOLUTION 12
		pH	12
		pe	-12	H2(g) 0
	SOLUTION 13
		pH	13
		pe	-13	H2(g) 0
	SOLUTION 14
		pH	14
		pe	-14	H2(g) 0
	END
-------------------------------------------
Beginning of initial solution calculations.
-------------------------------------------

Initial solution 0.	

-----------------------------Solution composition------------------------------

	Elements           Molality       Moles

	Pure water
    
----------------------------Description of solution----------------------------

                                       pH  =   0.000    
                                       pe  =   0.000      Equilibrium with H2(g)
                        Activity of water  =   0.977
                           Ionic strength  =  6.618e-001
                       Mass of water (kg)  =  1.000e+000
                 Total alkalinity (eq/kg)  = -1.324e+000
                    Total carbon (mol/kg)  =  0.000e+000
                       Total CO2 (mol/kg)  =  0.000e+000
                      Temperature (deg C)  =  25.000
                  Electrical balance (eq)  =  1.324e+000
 Percent error, 100*(Cat-|An|)/(Cat+|An|)  = 100.00
                               Iterations  =   3
                                  Total H  = 1.123372e+002
                                  Total O  = 5.550622e+001

----------------------------Distribution of species----------------------------

	                                           Log       Log         Log 
	Species            Molality    Activity  Molality  Activity     Gamma

	H+               1.324e+000  1.000e+000     0.122     0.000    -0.122
	OH-              1.602e-014  9.785e-015   -13.795   -14.009    -0.214
	H2O              5.551e+001  9.775e-001     1.744    -0.010     0.000
H(0)            1.216e-003
	H2               6.079e-004  7.079e-004    -3.216    -3.150     0.066
O(0)            0.000e+000
	O2               0.000e+000  0.000e+000   -86.166   -86.100     0.066

------------------------------Saturation indices-------------------------------

	Phase               SI log IAP  log KT

	H2(g)             0.00    0.00    0.00  H2
	H2O(g)           -1.52   -0.01    1.51  H2O
	O2(g)           -83.14   -0.02   83.12  O2

Initial solution 1.	

-----------------------------Solution composition------------------------------

	Elements           Molality       Moles

	Pure water
    
----------------------------Description of solution----------------------------

                                       pH  =   1.000    
                                       pe  =  -1.000      Equilibrium with H2(g)
                        Activity of water  =   0.998
                           Ionic strength  =  5.902e-002
                       Mass of water (kg)  =  1.000e+000
                 Total alkalinity (eq/kg)  = -1.180e-001
                    Total carbon (mol/kg)  =  0.000e+000
                       Total CO2 (mol/kg)  =  0.000e+000
                      Temperature (deg C)  =  25.000
                  Electrical balance (eq)  =  1.180e-001
 Percent error, 100*(Cat-|An|)/(Cat+|An|)  = 100.00
                               Iterations  =   3
                                  Total H  = 1.111319e+002
                                  Total O  = 5.550622e+001

----------------------------Distribution of species----------------------------

	                                           Log       Log         Log 
	Species            Molality    Activity  Molality  Activity     Gamma

	H+               1.180e-001  1.000e-001    -0.928    -1.000    -0.072
	OH-              1.248e-013  9.991e-014   -12.904   -13.000    -0.097
	H2O              5.551e+001  9.980e-001     1.744    -0.001     0.000
H(0)            1.397e-003
	H2               6.984e-004  7.079e-004    -3.156    -3.150     0.006
O(0)            0.000e+000
	O2               0.000e+000  0.000e+000   -86.088   -86.082     0.006

------------------------------Saturation indices-------------------------------

	Phase               SI log IAP  log KT

	H2(g)             0.00    0.00    0.00  H2
	H2O(g)           -1.51   -0.00    1.51  H2O
	O2(g)           -83.12   -0.00   83.12  O2

Initial solution 2.	

-----------------------------Solution composition------------------------------

	Elements           Molality       Moles

	Pure water
    
----------------------------Description of solution----------------------------

                                       pH  =   2.000    
                                       pe  =  -2.000      Equilibrium with H2(g)
                        Activity of water  =   1.000
                           Ionic strength  =  5.366e-003
                       Mass of water (kg)  =  1.000e+000
                 Total alkalinity (eq/kg)  = -1.073e-002
                    Total carbon (mol/kg)  =  0.000e+000
                       Total CO2 (mol/kg)  =  0.000e+000
                      Temperature (deg C)  =  25.000
                  Electrical balance (eq)  =  1.073e-002
 Percent error, 100*(Cat-|An|)/(Cat+|An|)  = 100.00
                               Iterations  =   3
                                  Total H  = 1.110246e+002
                                  Total O  = 5.550622e+001

----------------------------Distribution of species----------------------------

	                                           Log       Log         Log 
	Species            Molality    Activity  Molality  Activity     Gamma

	H+               1.073e-002  1.000e-002    -1.969    -2.000    -0.031
	OH-              1.083e-012  1.001e-012   -11.965   -12.000    -0.034
	H2O              5.551e+001  9.998e-001     1.744    -0.000     0.000
H(0)            1.414e-003
	H2               7.071e-004  7.079e-004    -3.151    -3.150     0.001
O(0)            0.000e+000
	O2               0.000e+000  0.000e+000   -86.081   -86.080     0.001

------------------------------Saturation indices-------------------------------

	Phase               SI log IAP  log KT

	H2(g)             0.00    0.00    0.00  H2
	H2O(g)           -1.51   -0.00    1.51  H2O
	O2(g)           -83.12   -0.00   83.12  O2

Initial solution 3.	

-----------------------------Solution composition------------------------------

	Elements           Molality       Moles

	Pure water
    
----------------------------Description of solution----------------------------

                                       pH  =   3.000    
                                       pe  =  -3.000      Equilibrium with H2(g)
                        Activity of water  =   1.000
                           Ionic strength  =  5.126e-004
                       Mass of water (kg)  =  1.000e+000
                 Total alkalinity (eq/kg)  = -1.025e-003
                    Total carbon (mol/kg)  =  0.000e+000
                       Total CO2 (mol/kg)  =  0.000e+000
                      Temperature (deg C)  =  25.000
                  Electrical balance (eq)  =  1.025e-003
 Percent error, 100*(Cat-|An|)/(Cat+|An|)  = 100.00
                               Iterations  =   3
                                  Total H  = 1.110149e+002
                                  Total O  = 5.550622e+001

----------------------------Distribution of species----------------------------

	                                           Log       Log         Log 
	Species            Molality    Activity  Molality  Activity     Gamma

	H+               1.025e-003  1.000e-003    -2.989    -3.000    -0.011
	OH-              1.027e-011  1.001e-011   -10.988   -11.000    -0.011
	H2O              5.551e+001  1.000e+000     1.744    -0.000     0.000
H(0)            1.416e-003
	H2               7.079e-004  7.079e-004    -3.150    -3.150     0.000
O(0)            0.000e+000
	O2               0.000e+000  0.000e+000   -86.080   -86.080     0.000

------------------------------Saturation indices-------------------------------

	Phase               SI log IAP  log KT

	H2(g)             0.00    0.00    0.00  H2
	H2O(g)           -1.51   -0.00    1.51  H2O
	O2(g)           -83.12   -0.00   83.12  O2

Initial solution 4.	

-----------------------------Solution composition------------------------------

	Elements           Molality       Moles

	Pure water
    
----------------------------Description of solution----------------------------

                                       pH  =   4.000    
                                       pe  =  -4.000      Equilibrium with H2(g)
                        Activity of water  =   1.000
                           Ionic strength  =  5.041e-005
                       Mass of water (kg)  =  1.000e+000
                 Total alkalinity (eq/kg)  = -1.008e-004
                    Total carbon (mol/kg)  =  0.000e+000
                       Total CO2 (mol/kg)  =  0.000e+000
                      Temperature (deg C)  =  25.000
                  Electrical balance (eq)  =  1.008e-004
 Percent error, 100*(Cat-|An|)/(Cat+|An|)  = 100.00
                               Iterations  =   3
                                  Total H  = 1.110140e+002
                                  Total O  = 5.550622e+001

----------------------------Distribution of species----------------------------

	                                           Log       Log         Log 
	Species            Molality    Activity  Molality  Activity     Gamma

	H+               1.008e-004  1.000e-004    -3.996    -4.000    -0.004
	OH-              1.009e-010  1.001e-010    -9.996   -10.000    -0.004
	H2O              5.551e+001  1.000e+000     1.744    -0.000     0.000
H(0)            1.416e-003
	H2               7.079e-004  7.079e-004    -3.150    -3.150     0.000
O(0)            0.000e+000
	O2               0.000e+000  0.000e+000   -86.080   -86.080     0.000

------------------------------Saturation indices-------------------------------

	Phase               SI log IAP  log KT

	H2(g)             0.00    0.00    0.00  H2
	H2O(g)           -1.51   -0.00    1.51  H2O
	O2(g)           -83.12   -0.00   83.12  O2

Initial solution 5.	

-----------------------------Solution composition------------------------------

	Elements           Molality       Moles

	Pure water
    
----------------------------Description of solution----------------------------

                                       pH  =   5.000    
                                       pe  =  -5.000      Equilibrium with H2(g)
                        Activity of water  =   1.000
                           Ionic strength  =  5.014e-006
                       Mass of water (kg)  =  1.000e+000
                 Total alkalinity (eq/kg)  = -1.003e-005
                    Total carbon (mol/kg)  =  0.000e+000
                       Total CO2 (mol/kg)  =  0.000e+000
                      Temperature (deg C)  =  25.000
                  Electrical balance (eq)  =  1.003e-005
 Percent error, 100*(Cat-|An|)/(Cat+|An|)  =  99.98
                               Iterations  =   2
                                  Total H  = 1.110139e+002
                                  Total O  = 5.550622e+001

----------------------------Distribution of species----------------------------

	                                           Log       Log         Log 
	Species            Molality    Activity  Molality  Activity     Gamma

	H+               1.003e-005  1.000e-005    -4.999    -5.000    -0.001
	OH-              1.004e-009  1.001e-009    -8.998    -9.000    -0.001
	H2O              5.551e+001  1.000e+000     1.744    -0.000     0.000
H(0)            1.416e-003
	H2               7.079e-004  7.079e-004    -3.150    -3.150     0.000
O(0)            0.000e+000
	O2               0.000e+000  0.000e+000   -86.080   -86.080     0.000

------------------------------Saturation indices-------------------------------

	Phase               SI log IAP  log KT

	H2(g)             0.00    0.00    0.00  H2
	H2O(g)           -1.51   -0.00    1.51  H2O
	O2(g)           -83.12   -0.00   83.12  O2

Initial solution 6.	

-----------------------------Solution composition------------------------------

	Elements           Molality       Moles

	Pure water
    
----------------------------Description of solution----------------------------

                                       pH  =   6.000    
                                       pe  =  -6.000      Equilibrium with H2(g)
                        Activity of water  =   1.000
                           Ionic strength  =  5.054e-007
                       Mass of water (kg)  =  1.000e+000
                 Total alkalinity (eq/kg)  = -9.908e-007
                    Total carbon (mol/kg)  =  0.000e+000
                       Total CO2 (mol/kg)  =  0.000e+000
                      Temperature (deg C)  =  25.000
                  Electrical balance (eq)  =  9.908e-007
 Percent error, 100*(Cat-|An|)/(Cat+|An|)  =  98.02
                               Iterations  =   2
                                  Total H  = 1.110139e+002
                                  Total O  = 5.550622e+001

----------------------------Distribution of species----------------------------

	                                           Log       Log         Log 
	Species            Molality    Activity  Molality  Activity     Gamma

	H+               1.001e-006  1.000e-006    -6.000    -6.000    -0.000
	OH-              1.002e-008  1.001e-008    -7.999    -8.000    -0.000
	H2O              5.551e+001  1.000e+000     1.744    -0.000     0.000
H(0)            1.416e-003
	H2               7.079e-004  7.079e-004    -3.150    -3.150     0.000
O(0)            0.000e+000
	O2               0.000e+000  0.000e+000   -86.080   -86.080     0.000

------------------------------Saturation indices-------------------------------

	Phase               SI log IAP  log KT

	H2(g)             0.00    0.00    0.00  H2
	H2O(g)           -1.51   -0.00    1.51  H2O
	O2(g)           -83.12   -0.00   83.12  O2

Initial solution 7.	

-----------------------------Solution composition------------------------------

	Elements           Molality       Moles

	Pure water
    
----------------------------Description of solution----------------------------

                                       pH  =   7.000    
                                       pe  =  -7.000      Equilibrium with H2(g)
                        Activity of water  =   1.000
                           Ionic strength  =  1.001e-007
                       Mass of water (kg)  =  1.000e+000
                 Total alkalinity (eq/kg)  =  1.070e-010
                    Total carbon (mol/kg)  =  0.000e+000
                       Total CO2 (mol/kg)  =  0.000e+000
                      Temperature (deg C)  =  25.000
                  Electrical balance (eq)  = -1.070e-010
 Percent error, 100*(Cat-|An|)/(Cat+|An|)  =  -0.05
                               Iterations  =   2
                                  Total H  = 1.110138e+002
                                  Total O  = 5.550622e+001

----------------------------Distribution of species----------------------------

	                                           Log       Log         Log 
	Species            Molality    Activity  Molality  Activity     Gamma

	OH-              1.001e-007  1.001e-007    -6.999    -7.000    -0.000
	H+               1.000e-007  1.000e-007    -7.000    -7.000    -0.000
	H2O              5.551e+001  1.000e+000     1.744    -0.000     0.000
H(0)            1.416e-003
	H2               7.079e-004  7.079e-004    -3.150    -3.150     0.000
O(0)            0.000e+000
	O2               0.000e+000  0.000e+000   -86.080   -86.080     0.000

------------------------------Saturation indices-------------------------------

	Phase               SI log IAP  log KT

	H2(g)             0.00    0.00    0.00  H2
	H2O(g)           -1.51   -0.00    1.51  H2O
	O2(g)           -83.12   -0.00   83.12  O2

Initial solution 8.	

-----------------------------Solution composition------------------------------

	Elements           Molality       Moles

	Pure water
    
----------------------------Description of solution----------------------------

                                       pH  =   8.000    
                                       pe  =  -8.000      Equilibrium with H2(g)
                        Activity of water  =   1.000
                           Ionic strength  =  5.060e-007
                       Mass of water (kg)  =  1.000e+000
                 Total alkalinity (eq/kg)  =  9.919e-007
                    Total carbon (mol/kg)  =  0.000e+000
                       Total CO2 (mol/kg)  =  0.000e+000
                      Temperature (deg C)  =  25.000
                  Electrical balance (eq)  = -9.919e-007
 Percent error, 100*(Cat-|An|)/(Cat+|An|)  = -98.02
                               Iterations  =   2
                                  Total H  = 1.110139e+002
                                  Total O  = 5.550622e+001

----------------------------Distribution of species----------------------------

	                                           Log       Log         Log 
	Species            Molality    Activity  Molality  Activity     Gamma

	OH-              1.002e-006  1.001e-006    -5.999    -6.000    -0.000
	H+               1.001e-008  1.000e-008    -8.000    -8.000    -0.000
	H2O              5.551e+001  1.000e+000     1.744    -0.000     0.000
H(0)            1.416e-003
	H2               7.079e-004  7.079e-004    -3.150    -3.150     0.000
O(0)            0.000e+000
	O2               0.000e+000  0.000e+000   -86.080   -86.080     0.000

------------------------------Saturation indices-------------------------------

	Phase               SI log IAP  log KT

	H2(g)             0.00    0.00    0.00  H2
	H2O(g)           -1.51   -0.00    1.51  H2O
	O2(g)           -83.12   -0.00   83.12  O2

Initial solution 9.	

-----------------------------Solution composition------------------------------

	Elements           Molality       Moles

	Pure water
    
----------------------------Description of solution----------------------------

                                       pH  =   9.000    
                                       pe  =  -9.000      Equilibrium with H2(g)
                        Activity of water  =   1.000
                           Ionic strength  =  5.019e-006
                       Mass of water (kg)  =  1.000e+000
                 Total alkalinity (eq/kg)  =  1.004e-005
                    Total carbon (mol/kg)  =  0.000e+000
                       Total CO2 (mol/kg)  =  0.000e+000
                      Temperature (deg C)  =  25.000
                  Electrical balance (eq)  = -1.004e-005
 Percent error, 100*(Cat-|An|)/(Cat+|An|)  = -99.98
                               Iterations  =   2
                                  Total H  = 1.110139e+002
                                  Total O  = 5.550623e+001

----------------------------Distribution of species----------------------------

	                                           Log       Log         Log 
	Species            Molality    Activity  Molality  Activity     Gamma

	OH-              1.004e-005  1.001e-005    -4.998    -5.000    -0.001
	H+               1.003e-009  1.000e-009    -8.999    -9.000    -0.001
	H2O              5.551e+001  1.000e+000     1.744    -0.000     0.000
H(0)            1.416e-003
	H2               7.079e-004  7.079e-004    -3.150    -3.150     0.000
O(0)            0.000e+000
	O2               0.000e+000  0.000e+000   -86.080   -86.080     0.000

------------------------------Saturation indices-------------------------------

	Phase               SI log IAP  log KT

	H2(g)             0.00    0.00    0.00  H2
	H2O(g)           -1.51   -0.00    1.51  H2O
	O2(g)           -83.12   -0.00   83.12  O2

Initial solution 10.	

-----------------------------Solution composition------------------------------

	Elements           Molality       Moles

	Pure water
    
----------------------------Description of solution----------------------------

                                       pH  =  10.000    
                                       pe  = -10.000      Equilibrium with H2(g)
                        Activity of water  =   1.000
                           Ionic strength  =  5.047e-005
                       Mass of water (kg)  =  1.000e+000
                 Total alkalinity (eq/kg)  =  1.009e-004
                    Total carbon (mol/kg)  =  0.000e+000
                       Total CO2 (mol/kg)  =  0.000e+000
                      Temperature (deg C)  =  25.000
                  Electrical balance (eq)  = -1.009e-004
 Percent error, 100*(Cat-|An|)/(Cat+|An|)  = -100.00
                               Iterations  =   3
                                  Total H  = 1.110140e+002
                                  Total O  = 5.550632e+001

----------------------------Distribution of species----------------------------

	                                           Log       Log         Log 
	Species            Molality    Activity  Molality  Activity     Gamma

	OH-              1.009e-004  1.001e-004    -3.996    -4.000    -0.004
	H+               1.008e-010  1.000e-010    -9.996   -10.000    -0.004
	H2O              5.551e+001  1.000e+000     1.744    -0.000     0.000
H(0)            1.416e-003
	H2               7.079e-004  7.079e-004    -3.150    -3.150     0.000
O(0)            0.000e+000
	O2               0.000e+000  0.000e+000   -86.080   -86.080     0.000

------------------------------Saturation indices-------------------------------

	Phase               SI log IAP  log KT

	H2(g)             0.00    0.00    0.00  H2
	H2O(g)           -1.51   -0.00    1.51  H2O
	O2(g)           -83.12   -0.00   83.12  O2

Initial solution 11.	

-----------------------------Solution composition------------------------------

	Elements           Molality       Moles

	Pure water
    
----------------------------Description of solution----------------------------

                                       pH  =  11.000    
                                       pe  = -11.000      Equilibrium with H2(g)
                        Activity of water  =   1.000
                           Ionic strength  =  5.137e-004
                       Mass of water (kg)  =  1.000e+000
                 Total alkalinity (eq/kg)  =  1.027e-003
                    Total carbon (mol/kg)  =  0.000e+000
                       Total CO2 (mol/kg)  =  0.000e+000
                      Temperature (deg C)  =  25.000
                  Electrical balance (eq)  = -1.027e-003
 Percent error, 100*(Cat-|An|)/(Cat+|An|)  = -100.00
                               Iterations  =   3
                                  Total H  = 1.110149e+002
                                  Total O  = 5.550724e+001

----------------------------Distribution of species----------------------------

	                                           Log       Log         Log 
	Species            Molality    Activity  Molality  Activity     Gamma

	OH-              1.027e-003  1.001e-003    -2.988    -3.000    -0.011
	H+               1.025e-011  1.000e-011   -10.989   -11.000    -0.011
	H2O              5.551e+001  1.000e+000     1.744    -0.000     0.000
H(0)            1.416e-003
	H2               7.079e-004  7.079e-004    -3.150    -3.150     0.000
O(0)            0.000e+000
	O2               0.000e+000  0.000e+000   -86.080   -86.080     0.000

------------------------------Saturation indices-------------------------------

	Phase               SI log IAP  log KT

	H2(g)             0.00    0.00    0.00  H2
	H2O(g)           -1.51   -0.00    1.51  H2O
	O2(g)           -83.12   -0.00   83.12  O2

Initial solution 12.	

-----------------------------Solution composition------------------------------

	Elements           Molality       Moles

	Pure water
    
----------------------------Description of solution----------------------------

                                       pH  =  12.000    
                                       pe  = -12.000      Equilibrium with H2(g)
                        Activity of water  =   1.000
                           Ionic strength  =  5.419e-003
                       Mass of water (kg)  =  1.000e+000
                 Total alkalinity (eq/kg)  =  1.084e-002
                    Total carbon (mol/kg)  =  0.000e+000
                       Total CO2 (mol/kg)  =  0.000e+000
                      Temperature (deg C)  =  25.000
                  Electrical balance (eq)  = -1.084e-002
 Percent error, 100*(Cat-|An|)/(Cat+|An|)  = -100.00
                               Iterations  =   3
                                  Total H  = 1.110247e+002
                                  Total O  = 5.551705e+001

----------------------------Distribution of species----------------------------

	                                           Log       Log         Log 
	Species            Molality    Activity  Molality  Activity     Gamma

	OH-              1.084e-002  1.001e-002    -1.965    -2.000    -0.035
	H+               1.073e-012  1.000e-012   -11.969   -12.000    -0.031
	H2O              5.551e+001  9.998e-001     1.744    -0.000     0.000
H(0)            1.414e-003
	H2               7.071e-004  7.079e-004    -3.151    -3.150     0.001
O(0)            0.000e+000
	O2               0.000e+000  0.000e+000   -86.081   -86.080     0.001

------------------------------Saturation indices-------------------------------

	Phase               SI log IAP  log KT

	H2(g)             0.00    0.00    0.00  H2
	H2O(g)           -1.51   -0.00    1.51  H2O
	O2(g)           -83.12   -0.00   83.12  O2

Initial solution 13.	

-----------------------------Solution composition------------------------------

	Elements           Molality       Moles

	Pure water
    
----------------------------Description of solution----------------------------

                                       pH  =  13.000    
                                       pe  = -13.000      Equilibrium with H2(g)
                        Activity of water  =   0.998
                           Ionic strength  =  6.274e-002
                       Mass of water (kg)  =  1.000e+000
                 Total alkalinity (eq/kg)  =  1.255e-001
                    Total carbon (mol/kg)  =  0.000e+000
                       Total CO2 (mol/kg)  =  0.000e+000
                      Temperature (deg C)  =  25.000
                  Electrical balance (eq)  = -1.255e-001
 Percent error, 100*(Cat-|An|)/(Cat+|An|)  = -100.00
                               Iterations  =   4
                                  Total H  = 1.111393e+002
                                  Total O  = 5.563170e+001

----------------------------Distribution of species----------------------------

	                                           Log       Log         Log 
	Species            Molality    Activity  Molality  Activity     Gamma

	OH-              1.255e-001  9.989e-002    -0.901    -1.000    -0.099
	H+               1.184e-013  1.000e-013   -12.927   -13.000    -0.073
	H2O              5.551e+001  9.979e-001     1.744    -0.001     0.000
H(0)            1.396e-003
	H2               6.978e-004  7.079e-004    -3.156    -3.150     0.006
O(0)            0.000e+000
	O2               0.000e+000  0.000e+000   -86.088   -86.082     0.006

------------------------------Saturation indices-------------------------------

	Phase               SI log IAP  log KT

	H2(g)             0.00    0.00    0.00  H2
	H2O(g)           -1.51   -0.00    1.51  H2O
	O2(g)           -83.12   -0.00   83.12  O2

Initial solution 14.	

-----------------------------Solution composition------------------------------

	Elements           Molality       Moles

	Pure water
    
----------------------------Description of solution----------------------------

                                       pH  =  14.000    
                                       pe  = -14.000      Equilibrium with H2(g)
                        Activity of water  =   0.972
                           Ionic strength  =  8.187e-001
                       Mass of water (kg)  =  1.000e+000
                 Total alkalinity (eq/kg)  =  1.637e+000
                    Total carbon (mol/kg)  =  0.000e+000
                       Total CO2 (mol/kg)  =  0.000e+000
                      Temperature (deg C)  =  25.000
                  Electrical balance (eq)  = -1.637e+000
 Percent error, 100*(Cat-|An|)/(Cat+|An|)  = -100.00
                               Iterations  =   6
                                  Total H  = 1.126509e+002
                                  Total O  = 5.714353e+001

----------------------------Distribution of species----------------------------

	                                           Log       Log         Log 
	Species            Molality    Activity  Molality  Activity     Gamma

	OH-              1.637e+000  9.732e-001     0.214    -0.012    -0.226
	H+               1.335e-014  1.000e-014   -13.875   -14.000    -0.125
	H2O              5.551e+001  9.722e-001     1.744    -0.012     0.000
H(0)            1.173e-003
	H2               5.863e-004  7.079e-004    -3.232    -3.150     0.082
O(0)            0.000e+000
	O2               0.000e+000  0.000e+000   -86.186   -86.105     0.082

------------------------------Saturation indices-------------------------------

	Phase               SI log IAP  log KT

	H2(g)             0.00    0.00    0.00  H2
	H2O(g)           -1.52   -0.01    1.51  H2O
	O2(g)           -83.14   -0.02   83.12  O2

------------------
End of simulation.
------------------

------------------------------------
Reading input data for simulation 2.
------------------------------------

	USER_PUNCH
		headings	pe_CH4
	10 pe = LA("CH4") + 3*LA("H2O") - 10*LA("H+") - LA("CO3-2") -41.071
	20 pe = -pe/8
	30 PUNCH pe
	SOLUTION 0
		pH	0
		pe	0	
		C(4)	1
		C(-4) .01
	SOLUTION 1
		pH	1
		pe	-1		
		C(4)	1
		C(-4) .01
	SOLUTION 2
		pH	2
		pe	-2	
		C(4)	1
		C(-4) .01
	SOLUTION 3
		pH	3
		pe	-3	
		C(4)	1
		C(-4) .01
	SOLUTION 4
		pH	4
		pe	-4	
		C(4)	1
		C(-4) .01
	SOLUTION 5
		pH	5
		pe	-5		
		C(4)	1
		C(-4) .01
	SOLUTION 6
		pH	6
		pe	-6	
		C(4)	1
		C(-4) .01
	SOLUTION 7
		pH	7
		pe	-7		
		C(4)	1
		C(-4) .01
	SOLUTION 8
		pH	8
		pe	-8		
		C(4)	1
		C(-4) .01
	SOLUTION 9
		pH	9
		pe	-9	
		C(4)	1
		C(-4) .01
	SOLUTION 10
		pH	10
		pe	-10		
		C(4)	1
		C(-4) .01
	SOLUTION 11
		pH	11
		pe	-11		
		C(4)	1
		C(-4) .01
	SOLUTION 12
		pH	12
		pe	-12		
		C(4)	1
		C(-4) .01
	SOLUTION 13
		pH	13
		pe	-13		
		C(4)	1
		C(-4) .01
	SOLUTION 14
		pH	14
		pe	-14		
		C(4)	1
		C(-4) .01
	END
-------------------------------------------
Beginning of initial solution calculations.
-------------------------------------------

Initial solution 0.	

-----------------------------Solution composition------------------------------

	Elements           Molality       Moles

	C(-4)            1.000e-005  1.000e-005
	C(4)             1.000e-003  1.000e-003

----------------------------Description of solution----------------------------

                                       pH  =   0.000    
                                       pe  =   0.000    
                        Activity of water  =   0.977
                           Ionic strength  =  6.618e-001
                       Mass of water (kg)  =  1.000e+000
                 Total alkalinity (eq/kg)  = -1.324e+000
                       Total CO2 (mol/kg)  =  1.000e-003
                      Temperature (deg C)  =  25.000
                  Electrical balance (eq)  =  1.324e+000
 Percent error, 100*(Cat-|An|)/(Cat+|An|)  = 100.00
                               Iterations  =   4
                                  Total H  = 1.123372e+002
                                  Total O  = 5.550822e+001

---------------------------------Redox couples---------------------------------

	Redox couple             pe  Eh (volts)

	C(-4)/C(4)           3.3013      0.1953

----------------------------Distribution of species----------------------------

	                                           Log       Log         Log 
	Species            Molality    Activity  Molality  Activity     Gamma

	H+               1.324e+000  1.000e+000     0.122     0.000    -0.122
	OH-              1.602e-014  9.785e-015   -13.795   -14.009    -0.214
	H2O              5.551e+001  9.775e-001     1.744    -0.010     0.000
C(-4)           1.000e-005
	CH4              1.000e-005  1.165e-005    -5.000    -4.934     0.066
C(4)            1.000e-003
	CO2              1.000e-003  1.165e-003    -3.000    -2.934     0.066
	HCO3-            7.483e-010  5.063e-010    -9.126    -9.296    -0.170
	CO3-2            1.133e-019  2.374e-020   -18.946   -19.624    -0.679
H(0)            1.216e-003
	H2               6.079e-004  7.079e-004    -3.216    -3.150     0.066
O(0)            0.000e+000
	O2               0.000e+000  0.000e+000   -86.166   -86.100     0.066

------------------------------Saturation indices-------------------------------

	Phase               SI log IAP  log KT

	CH4(g)           -2.07   -4.93   -2.86  CH4
	CO2(g)           -1.47  -19.61  -18.15  CO2
	H2(g)             0.00    0.00    0.00  H2
	H2O(g)           -1.52   -0.01    1.51  H2O
	O2(g)           -83.14   -0.02   83.12  O2

Initial solution 1.	

-----------------------------Solution composition------------------------------

	Elements           Molality       Moles

	C(-4)            1.000e-005  1.000e-005
	C(4)             1.000e-003  1.000e-003

----------------------------Description of solution----------------------------

                                       pH  =   1.000    
                                       pe  =  -1.000    
                        Activity of water  =   0.998
                           Ionic strength  =  5.902e-002
                       Mass of water (kg)  =  1.000e+000
                 Total alkalinity (eq/kg)  = -1.180e-001
                       Total CO2 (mol/kg)  =  1.000e-003
                      Temperature (deg C)  =  25.000
                  Electrical balance (eq)  =  1.180e-001
 Percent error, 100*(Cat-|An|)/(Cat+|An|)  = 100.00
                               Iterations  =   4
                                  Total H  = 1.111319e+002
                                  Total O  = 5.550822e+001

---------------------------------Redox couples---------------------------------

	Redox couple             pe  Eh (volts)

	C(-4)/C(4)           2.2990      0.1360

----------------------------Distribution of species----------------------------

	                                           Log       Log         Log 
	Species            Molality    Activity  Molality  Activity     Gamma

	H+               1.180e-001  1.000e-001    -0.928    -1.000    -0.072
	OH-              1.248e-013  9.990e-014   -12.904   -13.000    -0.097
	H2O              5.551e+001  9.980e-001     1.744    -0.001     0.000
C(-4)           1.000e-005
	CH4              1.000e-005  1.014e-005    -5.000    -4.994     0.006
C(4)            1.000e-003
	CO2              1.000e-003  1.014e-003    -3.000    -2.994     0.006
	HCO3-            5.491e-009  4.499e-009    -8.260    -8.347    -0.086
	CO3-2            4.680e-018  2.110e-018   -17.330   -17.676    -0.346
H(0)            1.397e-003
	H2               6.984e-004  7.079e-004    -3.156    -3.150     0.006
O(0)            0.000e+000
	O2               0.000e+000  0.000e+000   -86.088   -86.082     0.006

------------------------------Saturation indices-------------------------------

	Phase               SI log IAP  log KT

	CH4(g)           -2.13   -4.99   -2.86  CH4
	CO2(g)           -1.53  -19.67  -18.15  CO2
	H2(g)             0.00    0.00    0.00  H2
	H2O(g)           -1.51   -0.00    1.51  H2O
	O2(g)           -83.12   -0.00   83.12  O2

Initial solution 2.	

-----------------------------Solution composition------------------------------

	Elements           Molality       Moles

	C(-4)            1.000e-005  1.000e-005
	C(4)             1.000e-003  1.000e-003

----------------------------Description of solution----------------------------

                                       pH  =   2.000    
                                       pe  =  -2.000    
                        Activity of water  =   1.000
                           Ionic strength  =  5.366e-003
                       Mass of water (kg)  =  1.000e+000
                 Total alkalinity (eq/kg)  = -1.073e-002
                       Total CO2 (mol/kg)  =  1.000e-003
                      Temperature (deg C)  =  25.000
                  Electrical balance (eq)  =  1.073e-002
 Percent error, 100*(Cat-|An|)/(Cat+|An|)  = 100.00
                               Iterations  =   3
                                  Total H  = 1.110246e+002
                                  Total O  = 5.550822e+001

---------------------------------Redox couples---------------------------------

	Redox couple             pe  Eh (volts)

	C(-4)/C(4)           1.2988      0.0768

----------------------------Distribution of species----------------------------

	                                           Log       Log         Log 
	Species            Molality    Activity  Molality  Activity     Gamma

	H+               1.073e-002  1.000e-002    -1.969    -2.000    -0.031
	OH-              1.083e-012  1.001e-012   -11.965   -12.000    -0.034
	H2O              5.551e+001  9.998e-001     1.744    -0.000     0.000
C(-4)           1.000e-005
	CH4              1.000e-005  1.001e-005    -5.000    -4.999     0.001
C(4)            1.000e-003
	CO2              1.000e-003  1.001e-003    -3.000    -2.999     0.001
	HCO3-            4.804e-008  4.452e-008    -7.318    -7.351    -0.033
	CO3-2            2.830e-016  2.088e-016   -15.548   -15.680    -0.132
H(0)            1.414e-003
	H2               7.071e-004  7.079e-004    -3.151    -3.150     0.001
O(0)            0.000e+000
	O2               0.000e+000  0.000e+000   -86.081   -86.080     0.001

------------------------------Saturation indices-------------------------------

	Phase               SI log IAP  log KT

	CH4(g)           -2.14   -5.00   -2.86  CH4
	CO2(g)           -1.53  -19.68  -18.15  CO2
	H2(g)             0.00    0.00    0.00  H2
	H2O(g)           -1.51   -0.00    1.51  H2O
	O2(g)           -83.12   -0.00   83.12  O2

Initial solution 3.	

-----------------------------Solution composition------------------------------

	Elements           Molality       Moles

	C(-4)            1.000e-005  1.000e-005
	C(4)             1.000e-003  1.000e-003

----------------------------Description of solution----------------------------

                                       pH  =   3.000    
                                       pe  =  -3.000    
                        Activity of water  =   1.000
                           Ionic strength  =  5.128e-004
                       Mass of water (kg)  =  1.000e+000
                 Total alkalinity (eq/kg)  = -1.025e-003
                       Total CO2 (mol/kg)  =  1.000e-003
                      Temperature (deg C)  =  25.000
                  Electrical balance (eq)  =  1.025e-003
 Percent error, 100*(Cat-|An|)/(Cat+|An|)  =  99.91
                               Iterations  =   3
                                  Total H  = 1.110149e+002
                                  Total O  = 5.550822e+001

---------------------------------Redox couples---------------------------------

	Redox couple             pe  Eh (volts)

	C(-4)/C(4)           0.2988      0.0177

----------------------------Distribution of species----------------------------

	                                           Log       Log         Log 
	Species            Molality    Activity  Molality  Activity     Gamma

	H+               1.025e-003  1.000e-003    -2.989    -3.000    -0.011
	OH-              1.027e-011  1.001e-011   -10.988   -11.000    -0.011
	H2O              5.551e+001  1.000e+000     1.744    -0.000     0.000
C(-4)           1.000e-005
	CH4              1.000e-005  1.000e-005    -5.000    -5.000     0.000
C(4)            1.000e-003
	CO2              9.995e-004  9.997e-004    -3.000    -3.000     0.000
	HCO3-            4.561e-007  4.446e-007    -6.341    -6.352    -0.011
	CO3-2            2.309e-014  2.085e-014   -13.637   -13.681    -0.044
H(0)            1.416e-003
	H2               7.079e-004  7.079e-004    -3.150    -3.150     0.000
O(0)            0.000e+000
	O2               0.000e+000  0.000e+000   -86.080   -86.080     0.000

------------------------------Saturation indices-------------------------------

	Phase               SI log IAP  log KT

	CH4(g)           -2.14   -5.00   -2.86  CH4
	CO2(g)           -1.53  -19.68  -18.15  CO2
	H2(g)             0.00    0.00    0.00  H2
	H2O(g)           -1.51   -0.00    1.51  H2O
	O2(g)           -83.12   -0.00   83.12  O2

Initial solution 4.	

-----------------------------Solution composition------------------------------

	Elements           Molality       Moles

	C(-4)            1.000e-005  1.000e-005
	C(4)             1.000e-003  1.000e-003

----------------------------Description of solution----------------------------

                                       pH  =   4.000    
                                       pe  =  -4.000    
                        Activity of water  =   1.000
                           Ionic strength  =  5.265e-005
                       Mass of water (kg)  =  1.000e+000
                 Total alkalinity (eq/kg)  = -9.637e-005
                       Total CO2 (mol/kg)  =  1.000e-003
                      Temperature (deg C)  =  25.000
                  Electrical balance (eq)  =  9.637e-005
 Percent error, 100*(Cat-|An|)/(Cat+|An|)  =  91.52
                               Iterations  =   3
                                  Total H  = 1.110140e+002
                                  Total O  = 5.550822e+001

---------------------------------Redox couples---------------------------------

	Redox couple             pe  Eh (volts)

	C(-4)/C(4)          -0.7015     -0.0415

----------------------------Distribution of species----------------------------

	                                           Log       Log         Log 
	Species            Molality    Activity  Molality  Activity     Gamma

	H+               1.008e-004  1.000e-004    -3.996    -4.000    -0.004
	OH-              1.010e-010  1.001e-010    -9.996   -10.000    -0.004
	H2O              5.551e+001  1.000e+000     1.744    -0.000     0.000
C(-4)           1.000e-005
	CH4              1.000e-005  1.000e-005    -5.000    -5.000     0.000
C(4)            1.000e-003
	CO2              9.955e-004  9.955e-004    -3.002    -3.002     0.000
	HCO3-            4.465e-006  4.428e-006    -5.350    -5.354    -0.004
	CO3-2            2.147e-012  2.076e-012   -11.668   -11.683    -0.015
H(0)            1.416e-003
	H2               7.079e-004  7.079e-004    -3.150    -3.150     0.000
O(0)            0.000e+000
	O2               0.000e+000  0.000e+000   -86.080   -86.080     0.000

------------------------------Saturation indices-------------------------------

	Phase               SI log IAP  log KT

	CH4(g)           -2.14   -5.00   -2.86  CH4
	CO2(g)           -1.53  -19.68  -18.15  CO2
	H2(g)             0.00    0.00    0.00  H2
	H2O(g)           -1.51   -0.00    1.51  H2O
	O2(g)           -83.12   -0.00   83.12  O2

Initial solution 5.	

-----------------------------Solution composition------------------------------

	Elements           Molality       Moles

	C(-4)            1.000e-005  1.000e-005
	C(4)             1.000e-003  1.000e-003

----------------------------Description of solution----------------------------

                                       pH  =   5.000    
                                       pe  =  -5.000    
                        Activity of water  =   1.000
                           Ionic strength  =  2.644e-005
                       Mass of water (kg)  =  1.000e+000
                 Total alkalinity (eq/kg)  =  3.277e-005
                       Total CO2 (mol/kg)  =  1.000e-003
                      Temperature (deg C)  =  25.000
                  Electrical balance (eq)  = -3.277e-005
 Percent error, 100*(Cat-|An|)/(Cat+|An|)  = -61.96
                               Iterations  =   3
                                  Total H  = 1.110139e+002
                                  Total O  = 5.550826e+001

---------------------------------Redox couples---------------------------------

	Redox couple             pe  Eh (volts)

	C(-4)/C(4)          -1.7036     -0.1008

----------------------------Distribution of species----------------------------

	                                           Log       Log         Log 
	Species            Molality    Activity  Molality  Activity     Gamma

	H+               1.006e-005  1.000e-005    -4.997    -5.000    -0.003
	OH-              1.007e-009  1.001e-009    -8.997    -9.000    -0.003
	H2O              5.551e+001  1.000e+000     1.744    -0.000     0.000
C(-4)           1.000e-005
	CH4              1.000e-005  1.000e-005    -5.000    -5.000     0.000
C(4)            1.000e-003
	CO2              9.572e-004  9.572e-004    -3.019    -3.019     0.000
	HCO3-            4.283e-005  4.257e-005    -4.368    -4.371    -0.003
	CO3-2            2.045e-010  1.996e-010    -9.689    -9.700    -0.010
H(0)            1.416e-003
	H2               7.079e-004  7.079e-004    -3.150    -3.150     0.000
O(0)            0.000e+000
	O2               0.000e+000  0.000e+000   -86.080   -86.080     0.000

------------------------------Saturation indices-------------------------------

	Phase               SI log IAP  log KT

	CH4(g)           -2.14   -5.00   -2.86  CH4
	CO2(g)           -1.55  -19.70  -18.15  CO2
	H2(g)             0.00    0.00    0.00  H2
	H2O(g)           -1.51   -0.00    1.51  H2O
	O2(g)           -83.12   -0.00   83.12  O2

Initial solution 6.	

-----------------------------Solution composition------------------------------

	Elements           Molality       Moles

	C(-4)            1.000e-005  1.000e-005
	C(4)             1.000e-003  1.000e-003

----------------------------Description of solution----------------------------

                                       pH  =   6.000    
                                       pe  =  -6.000    
                        Activity of water  =   1.000
                           Ionic strength  =  1.560e-004
                       Mass of water (kg)  =  1.000e+000
                 Total alkalinity (eq/kg)  =  3.099e-004
                       Total CO2 (mol/kg)  =  1.000e-003
                      Temperature (deg C)  =  25.000
                  Electrical balance (eq)  = -3.099e-004
 Percent error, 100*(Cat-|An|)/(Cat+|An|)  = -99.35
                               Iterations  =   3
                                  Total H  = 1.110142e+002
                                  Total O  = 5.550853e+001

---------------------------------Redox couples---------------------------------

	Redox couple             pe  Eh (volts)

	C(-4)/C(4)          -2.7214     -0.1610

----------------------------Distribution of species----------------------------

	                                           Log       Log         Log 
	Species            Molality    Activity  Molality  Activity     Gamma

	H+               1.014e-006  1.000e-006    -5.994    -6.000    -0.006
	OH-              1.016e-008  1.001e-008    -7.993    -8.000    -0.006
	H2O              5.551e+001  1.000e+000     1.744    -0.000     0.000
C(-4)           1.000e-005
	CH4              1.000e-005  1.000e-005    -5.000    -5.000     0.000
C(4)            1.000e-003
	CO2              6.891e-004  6.891e-004    -3.162    -3.162     0.000
	HCO3-            3.109e-004  3.065e-004    -3.507    -3.514    -0.006
	CO3-2            1.522e-008  1.437e-008    -7.818    -7.842    -0.025
H(0)            1.416e-003
	H2               7.079e-004  7.079e-004    -3.150    -3.150     0.000
O(0)            0.000e+000
	O2               0.000e+000  0.000e+000   -86.080   -86.080     0.000

------------------------------Saturation indices-------------------------------

	Phase               SI log IAP  log KT

	CH4(g)           -2.14   -5.00   -2.86  CH4
	CO2(g)           -1.69  -19.84  -18.15  CO2
	H2(g)             0.00    0.00    0.00  H2
	H2O(g)           -1.51   -0.00    1.51  H2O
	O2(g)           -83.12   -0.00   83.12  O2

Initial solution 7.	

-----------------------------Solution composition------------------------------

	Elements           Molality       Moles

	C(-4)            1.000e-005  1.000e-005
	C(4)             1.000e-003  1.000e-003

----------------------------Description of solution----------------------------

                                       pH  =   7.000    
                                       pe  =  -7.000    
                        Activity of water  =   1.000
                           Ionic strength  =  4.107e-004
                       Mass of water (kg)  =  1.000e+000
                 Total alkalinity (eq/kg)  =  8.203e-004
                       Total CO2 (mol/kg)  =  1.000e-003
                      Temperature (deg C)  =  25.000
                  Electrical balance (eq)  = -8.203e-004
 Percent error, 100*(Cat-|An|)/(Cat+|An|)  = -99.98
                               Iterations  =   4
                                  Total H  = 1.110147e+002
                                  Total O  = 5.550904e+001

---------------------------------Redox couples---------------------------------

	Redox couple             pe  Eh (volts)

	C(-4)/C(4)          -3.7943     -0.2245

----------------------------Distribution of species----------------------------

	                                           Log       Log         Log 
	Species            Molality    Activity  Molality  Activity     Gamma

	OH-              1.025e-007  1.001e-007    -6.989    -7.000    -0.010
	H+               1.023e-007  1.000e-007    -6.990    -7.000    -0.010
	H2O              5.551e+001  1.000e+000     1.744    -0.000     0.000
C(-4)           1.000e-005
	CH4              1.000e-005  1.000e-005    -5.000    -5.000     0.000
C(4)            1.000e-003
	HCO3-            8.195e-004  8.009e-004    -3.086    -3.096    -0.010
	CO2              1.801e-004  1.801e-004    -3.745    -3.745     0.000
	CO3-2            4.117e-007  3.756e-007    -6.385    -6.425    -0.040
H(0)            1.416e-003
	H2               7.079e-004  7.079e-004    -3.150    -3.150     0.000
O(0)            0.000e+000
	O2               0.000e+000  0.000e+000   -86.080   -86.080     0.000

------------------------------Saturation indices-------------------------------

	Phase               SI log IAP  log KT

	CH4(g)           -2.14   -5.00   -2.86  CH4
	CO2(g)           -2.28  -20.43  -18.15  CO2
	H2(g)             0.00    0.00    0.00  H2
	H2O(g)           -1.51   -0.00    1.51  H2O
	O2(g)           -83.12   -0.00   83.12  O2

Initial solution 8.	

-----------------------------Solution composition------------------------------

	Elements           Molality       Moles

	C(-4)            1.000e-005  1.000e-005
	C(4)             1.000e-003  1.000e-003

----------------------------Description of solution----------------------------

                                       pH  =   8.000    
                                       pe  =  -8.000    
                        Activity of water  =   1.000
                           Ionic strength  =  4.972e-004
                       Mass of water (kg)  =  1.000e+000
                 Total alkalinity (eq/kg)  =  9.846e-004
                       Total CO2 (mol/kg)  =  1.000e-003
                      Temperature (deg C)  =  25.000
                  Electrical balance (eq)  = -9.846e-004
 Percent error, 100*(Cat-|An|)/(Cat+|An|)  = -100.00
                               Iterations  =   4
                                  Total H  = 1.110149e+002
                                  Total O  = 5.550920e+001

---------------------------------Redox couples---------------------------------

	Redox couple             pe  Eh (volts)

	C(-4)/C(4)          -4.9100     -0.2905

----------------------------Distribution of species----------------------------

	                                           Log       Log         Log 
	Species            Molality    Activity  Molality  Activity     Gamma

	OH-              1.027e-006  1.001e-006    -5.988    -6.000    -0.011
	H+               1.025e-008  1.000e-008    -7.989    -8.000    -0.011
	H2O              5.551e+001  1.000e+000     1.744    -0.000     0.000
C(-4)           1.000e-005
	CH4              1.000e-005  1.000e-005    -5.000    -5.000     0.000
C(4)            1.000e-003
	HCO3-            9.737e-004  9.495e-004    -3.012    -3.022    -0.011
	CO2              2.135e-005  2.135e-005    -4.671    -4.671     0.000
	CO3-2            4.924e-006  4.453e-006    -5.308    -5.351    -0.044
H(0)            1.416e-003
	H2               7.079e-004  7.079e-004    -3.150    -3.150     0.000
O(0)            0.000e+000
	O2               0.000e+000  0.000e+000   -86.080   -86.080     0.000

------------------------------Saturation indices-------------------------------

	Phase               SI log IAP  log KT

	CH4(g)           -2.14   -5.00   -2.86  CH4
	CO2(g)           -3.20  -21.35  -18.15  CO2
	H2(g)             0.00    0.00    0.00  H2
	H2O(g)           -1.51   -0.00    1.51  H2O
	O2(g)           -83.12   -0.00   83.12  O2

Initial solution 9.	

-----------------------------Solution composition------------------------------

	Elements           Molality       Moles

	C(-4)            1.000e-005  1.000e-005
	C(4)             1.000e-003  1.000e-003

----------------------------Description of solution----------------------------

                                       pH  =   9.000    
                                       pe  =  -9.000    
                        Activity of water  =   1.000
                           Ionic strength  =  5.765e-004
                       Mass of water (kg)  =  1.000e+000
                 Total alkalinity (eq/kg)  =  1.057e-003
                       Total CO2 (mol/kg)  =  1.000e-003
                      Temperature (deg C)  =  25.000
                  Electrical balance (eq)  = -1.057e-003
 Percent error, 100*(Cat-|An|)/(Cat+|An|)  = -100.00
                               Iterations  =   4
                                  Total H  = 1.110148e+002
                                  Total O  = 5.550922e+001

---------------------------------Redox couples---------------------------------

	Redox couple             pe  Eh (volts)

	C(-4)/C(4)          -6.0365     -0.3571

----------------------------Distribution of species----------------------------

	                                           Log       Log         Log 
	Species            Molality    Activity  Molality  Activity     Gamma

	OH-              1.029e-005  1.001e-005    -4.988    -5.000    -0.012
	H+               1.027e-009  1.000e-009    -8.989    -9.000    -0.011
	H2O              5.551e+001  1.000e+000     1.744    -0.000     0.000
C(-4)           1.000e-005
	CH4              1.000e-005  1.000e-005    -5.000    -5.000     0.000
C(4)            1.000e-003
	HCO3-            9.496e-004  9.243e-004    -3.022    -3.034    -0.012
	CO3-2            4.829e-005  4.335e-005    -4.316    -4.363    -0.047
	CO2              2.078e-006  2.078e-006    -5.682    -5.682     0.000
H(0)            1.416e-003
	H2               7.079e-004  7.079e-004    -3.150    -3.150     0.000
O(0)            0.000e+000
	O2               0.000e+000  0.000e+000   -86.080   -86.080     0.000

------------------------------Saturation indices-------------------------------

	Phase               SI log IAP  log KT

	CH4(g)           -2.14   -5.00   -2.86  CH4
	CO2(g)           -4.21  -22.36  -18.15  CO2
	H2(g)             0.00    0.00    0.00  H2
	H2O(g)           -1.51   -0.00    1.51  H2O
	O2(g)           -83.12   -0.00   83.12  O2

Initial solution 10.	

-----------------------------Solution composition------------------------------

	Elements           Molality       Moles

	C(-4)            1.000e-005  1.000e-005
	C(4)             1.000e-003  1.000e-003

----------------------------Description of solution----------------------------

                                       pH  =  10.000    
                                       pe  = -10.000    
                        Activity of water  =   1.000
                           Ionic strength  =  1.067e-003
                       Mass of water (kg)  =  1.000e+000
                 Total alkalinity (eq/kg)  =  1.447e-003
                       Total CO2 (mol/kg)  =  1.000e-003
                      Temperature (deg C)  =  25.000
                  Electrical balance (eq)  = -1.447e-003
 Percent error, 100*(Cat-|An|)/(Cat+|An|)  = -100.00
                               Iterations  =   4
                                  Total H  = 1.110146e+002
                                  Total O  = 5.550932e+001

---------------------------------Redox couples---------------------------------

	Redox couple             pe  Eh (volts)

	C(-4)/C(4)          -7.1820     -0.4249

----------------------------Distribution of species----------------------------

	                                           Log       Log         Log 
	Species            Molality    Activity  Molality  Activity     Gamma

	OH-              1.039e-004  1.001e-004    -3.984    -4.000    -0.016
	H+               1.036e-010  1.000e-010    -9.985   -10.000    -0.015
	H2O              5.551e+001  1.000e+000     1.744    -0.000     0.000
C(-4)           1.000e-005
	CH4              1.000e-005  1.000e-005    -5.000    -5.000     0.000
C(4)            1.000e-003
	HCO3-            6.566e-004  6.333e-004    -3.183    -3.198    -0.016
	CO3-2            3.433e-004  2.970e-004    -3.464    -3.527    -0.063
	CO2              1.423e-007  1.424e-007    -6.847    -6.847     0.000
H(0)            1.416e-003
	H2               7.078e-004  7.079e-004    -3.150    -3.150     0.000
O(0)            0.000e+000
	O2               0.000e+000  0.000e+000   -86.080   -86.080     0.000

------------------------------Saturation indices-------------------------------

	Phase               SI log IAP  log KT

	CH4(g)           -2.14   -5.00   -2.86  CH4
	CO2(g)           -5.38  -23.53  -18.15  CO2
	H2(g)             0.00    0.00    0.00  H2
	H2O(g)           -1.51   -0.00    1.51  H2O
	O2(g)           -83.12   -0.00   83.12  O2

Initial solution 11.	

-----------------------------Solution composition------------------------------

	Elements           Molality       Moles

	C(-4)            1.000e-005  1.000e-005
	C(4)             1.000e-003  1.000e-003

----------------------------Description of solution----------------------------

                                       pH  =  11.000    
                                       pe  = -11.000    
                        Activity of water  =   1.000
                           Ionic strength  =  2.296e-003
                       Mass of water (kg)  =  1.000e+000
                 Total alkalinity (eq/kg)  =  2.901e-003
                       Total CO2 (mol/kg)  =  1.000e-003
                      Temperature (deg C)  =  25.000
                  Electrical balance (eq)  = -2.901e-003
 Percent error, 100*(Cat-|An|)/(Cat+|An|)  = -100.00
                               Iterations  =   4
                                  Total H  = 1.110151e+002
                                  Total O  = 5.551027e+001

---------------------------------Redox couples---------------------------------

	Redox couple             pe  Eh (volts)

	C(-4)/C(4)          -8.3865     -0.4961

----------------------------Distribution of species----------------------------

	                                           Log       Log         Log 
	Species            Molality    Activity  Molality  Activity     Gamma

	OH-              1.056e-003  1.001e-003    -2.976    -3.000    -0.023
	H+               1.050e-011  1.000e-011   -10.979   -11.000    -0.021
	H2O              5.551e+001  1.000e+000     1.744    -0.000     0.000
C(-4)           1.000e-005
	CH4              1.000e-005  1.001e-005    -5.000    -5.000     0.000
C(4)            1.000e-003
	CO3-2            8.456e-004  6.874e-004    -3.073    -3.163    -0.090
	HCO3-            1.544e-004  1.466e-004    -3.811    -3.834    -0.022
	CO2              3.294e-009  3.296e-009    -8.482    -8.482     0.000
H(0)            1.415e-003
	H2               7.076e-004  7.079e-004    -3.150    -3.150     0.000
O(0)            0.000e+000
	O2               0.000e+000  0.000e+000   -86.080   -86.080     0.000

------------------------------Saturation indices-------------------------------

	Phase               SI log IAP  log KT

	CH4(g)           -2.14   -5.00   -2.86  CH4
	CO2(g)           -7.01  -25.16  -18.15  CO2
	H2(g)             0.00    0.00    0.00  H2
	H2O(g)           -1.51   -0.00    1.51  H2O
	O2(g)           -83.12   -0.00   83.12  O2

Initial solution 12.	

-----------------------------Solution composition------------------------------

	Elements           Molality       Moles

	C(-4)            1.000e-005  1.000e-005
	C(4)             1.000e-003  1.000e-003

----------------------------Description of solution----------------------------

                                       pH  =  12.000    
                                       pe  = -12.000    
                        Activity of water  =   1.000
                           Ionic strength  =  7.463e-003
                       Mass of water (kg)  =  1.000e+000
                 Total alkalinity (eq/kg)  =  1.296e-002
                       Total CO2 (mol/kg)  =  1.000e-003
                      Temperature (deg C)  =  25.000
                  Electrical balance (eq)  = -1.296e-002
 Percent error, 100*(Cat-|An|)/(Cat+|An|)  = -100.00
                               Iterations  =   4
                                  Total H  = 1.110249e+002
                                  Total O  = 5.552019e+001

---------------------------------Redox couples---------------------------------

	Redox couple             pe  Eh (volts)

	C(-4)/C(4)          -9.6361     -0.5700

----------------------------Distribution of species----------------------------

	                                           Log       Log         Log 
	Species            Molality    Activity  Molality  Activity     Gamma

	OH-              1.097e-002  1.001e-002    -1.960    -2.000    -0.040
	H+               1.084e-012  1.000e-012   -11.965   -12.000    -0.035
	H2O              5.551e+001  9.998e-001     1.744    -0.000     0.000
C(-4)           1.000e-005
	CH4              1.000e-005  1.002e-005    -5.000    -4.999     0.001
C(4)            1.000e-003
	CO3-2            9.839e-004  6.923e-004    -3.007    -3.160    -0.153
	HCO3-            1.612e-005  1.476e-005    -4.793    -4.831    -0.038
	CO2              3.314e-011  3.320e-011   -10.480   -10.479     0.001
H(0)            1.413e-003
	H2               7.067e-004  7.079e-004    -3.151    -3.150     0.001
O(0)            0.000e+000
	O2               0.000e+000  0.000e+000   -86.081   -86.080     0.001

------------------------------Saturation indices-------------------------------

	Phase               SI log IAP  log KT

	CH4(g)           -2.14   -5.00   -2.86  CH4
	CO2(g)           -9.01  -27.16  -18.15  CO2
	H2(g)             0.00    0.00    0.00  H2
	H2O(g)           -1.51   -0.00    1.51  H2O
	O2(g)           -83.12   -0.00   83.12  O2

Initial solution 13.	

-----------------------------Solution composition------------------------------

	Elements           Molality       Moles

	C(-4)            1.000e-005  1.000e-005
	C(4)             1.000e-003  1.000e-003

----------------------------Description of solution----------------------------

                                       pH  =  13.000    
                                       pe  = -13.000    
                        Activity of water  =   0.998
                           Ionic strength  =  6.493e-002
                       Mass of water (kg)  =  1.000e+000
                 Total alkalinity (eq/kg)  =  1.279e-001
                       Total CO2 (mol/kg)  =  1.000e-003
                      Temperature (deg C)  =  25.000
                  Electrical balance (eq)  = -1.279e-001
 Percent error, 100*(Cat-|An|)/(Cat+|An|)  = -100.00
                               Iterations  =   4
                                  Total H  = 1.111397e+002
                                  Total O  = 5.563508e+001

---------------------------------Redox couples---------------------------------

	Redox couple             pe  Eh (volts)

	C(-4)/C(4)         -10.9113     -0.6455

----------------------------Distribution of species----------------------------

	                                           Log       Log         Log 
	Species            Molality    Activity  Molality  Activity     Gamma

	OH-              1.259e-001  9.989e-002    -0.900    -1.000    -0.100
	H+               1.186e-013  1.000e-013   -12.926   -13.000    -0.074
	H2O              5.551e+001  9.978e-001     1.744    -0.001     0.000
C(-4)           1.000e-005
	CH4              1.000e-005  1.015e-005    -5.000    -4.994     0.006
C(4)            1.000e-003
	CO3-2            9.989e-004  4.385e-004    -3.000    -3.358    -0.358
	HCO3-            1.149e-006  9.349e-007    -5.940    -6.029    -0.089
	CO2              2.075e-013  2.107e-013   -12.683   -12.676     0.006
H(0)            1.395e-003
	H2               6.974e-004  7.079e-004    -3.156    -3.150     0.006
O(0)            0.000e+000
	O2               0.000e+000  0.000e+000   -86.088   -86.082     0.006

------------------------------Saturation indices-------------------------------

	Phase               SI log IAP  log KT

	CH4(g)           -2.13   -4.99   -2.86  CH4
	CO2(g)          -11.21  -29.36  -18.15  CO2
	H2(g)             0.00    0.00    0.00  H2
	H2O(g)           -1.51   -0.00    1.51  H2O
	O2(g)           -83.12   -0.00   83.12  O2

Initial solution 14.	

-----------------------------Solution composition------------------------------

	Elements           Molality       Moles

	C(-4)            1.000e-005  1.000e-005
	C(4)             1.000e-003  1.000e-003

----------------------------Description of solution----------------------------

                                       pH  =  14.000    
                                       pe  = -14.000    
                        Activity of water  =   0.972
                           Ionic strength  =  8.209e-001
                       Mass of water (kg)  =  1.000e+000
                 Total alkalinity (eq/kg)  =  1.640e+000
                       Total CO2 (mol/kg)  =  1.000e-003
                      Temperature (deg C)  =  25.000
                  Electrical balance (eq)  = -1.640e+000
 Percent error, 100*(Cat-|An|)/(Cat+|An|)  = -100.00
                               Iterations  =   6
                                  Total H  = 1.126515e+002
                                  Total O  = 5.714706e+001

---------------------------------Redox couples---------------------------------

	Redox couple             pe  Eh (volts)

	C(-4)/C(4)         -12.2103     -0.7223

----------------------------Distribution of species----------------------------

	                                           Log       Log         Log 
	Species            Molality    Activity  Molality  Activity     Gamma

	OH-              1.638e+000  9.732e-001     0.214    -0.012    -0.226
	H+               1.335e-014  1.000e-014   -13.875   -14.000    -0.125
	H2O              5.551e+001  9.721e-001     1.744    -0.012     0.000
C(-4)           1.000e-005
	CH4              1.000e-005  1.208e-005    -5.000    -4.918     0.082
C(4)            1.000e-003
	CO3-2            9.999e-004  1.958e-004    -3.000    -3.708    -0.708
	HCO3-            6.276e-008  4.175e-008    -7.202    -7.379    -0.177
	CO2              7.992e-016  9.655e-016   -15.097   -15.015     0.082
H(0)            1.172e-003
	H2               5.860e-004  7.079e-004    -3.232    -3.150     0.082
O(0)            0.000e+000
	O2               0.000e+000  0.000e+000   -86.187   -86.105     0.082

------------------------------Saturation indices-------------------------------

	Phase               SI log IAP  log KT

	CH4(g)           -2.06   -4.92   -2.86  CH4
	CO2(g)          -13.55  -31.70  -18.15  CO2
	H2(g)             0.00    0.00    0.00  H2
	H2O(g)           -1.52   -0.01    1.51  H2O
	O2(g)           -83.14   -0.02   83.12  O2

------------------
End of simulation.
------------------

------------------------------------
Reading input data for simulation 3.
------------------------------------

	USER_PUNCH
		headings	pe_HS
	10 pe = LA("HS-") + 4*LA("H2O") - 9*LA("H+") - LA("SO4-2") -33.65
	20 pe = -pe/8
	30 PUNCH pe
	SOLUTION 0
		pH	0
		pe	0	
		S(6)	1
		S(-2) .01
	SOLUTION 1
		pH	1
		pe	-1		
		S(6)	1
		S(-2) .01
	SOLUTION 2
		pH	2
		pe	-2	
		S(6)	1
		S(-2) .01
	SOLUTION 3
		pH	3
		pe	-3	
		S(6)	1
		S(-2) .01
	SOLUTION 4
		pH	4
		pe	-4	
		S(6)	1
		S(-2) .01
	SOLUTION 5
		pH	5
		pe	-5		
		S(6)	1
		S(-2) .01
	SOLUTION 6
		pH	6
		pe	-6	
		S(6)	1
		S(-2) .01
	SOLUTION 7
		pH	7
		pe	-7		
		S(6)	1
		S(-2) .01
	SOLUTION 8
		pH	8
		pe	-8		
		S(6)	1
		S(-2) .01
	SOLUTION 9
		pH	9
		pe	-9	
		S(6)	1
		S(-2) .01
	SOLUTION 10
		pH	10
		pe	-10		
		S(6)	1
		S(-2) .01
	SOLUTION 11
		pH	11
		pe	-11		
		S(6)	1
		S(-2) .01
	SOLUTION 12
		pH	12
		pe	-12		
		S(6)	1
		S(-2) .01
	SOLUTION 13
		pH	13
		pe	-13		
		S(6)	1
		S(-2) .01
	SOLUTION 14
		pH	14
		pe	-14		
		S(6)	1
		S(-2) .01
	END
-------------------------------------------
Beginning of initial solution calculations.
-------------------------------------------

Initial solution 0.	

-----------------------------Solution composition------------------------------

	Elements           Molality       Moles

	S(-2)            1.000e-005  1.000e-005
	S(6)             1.000e-003  1.000e-003

----------------------------Description of solution----------------------------

                                       pH  =   0.000    
                                       pe  =   0.000    
                        Activity of water  =   0.977
                           Ionic strength  =  6.623e-001
                       Mass of water (kg)  =  1.000e+000
                 Total alkalinity (eq/kg)  = -1.325e+000
                    Total carbon (mol/kg)  =  0.000e+000
                       Total CO2 (mol/kg)  =  0.000e+000
                      Temperature (deg C)  =  25.000
                  Electrical balance (eq)  =  1.323e+000
 Percent error, 100*(Cat-|An|)/(Cat+|An|)  =  99.84
                               Iterations  =   4
                                  Total H  = 1.123382e+002
                                  Total O  = 5.551022e+001

---------------------------------Redox couples---------------------------------

	Redox couple             pe  Eh (volts)

	S(-2)/S(6)           5.0540      0.2990

----------------------------Distribution of species----------------------------

	                                           Log       Log         Log 
	Species            Molality    Activity  Molality  Activity     Gamma

	H+               1.324e+000  1.000e+000     0.122     0.000    -0.122
	OH-              1.602e-014  9.785e-015   -13.795   -14.009    -0.214
	H2O              5.551e+001  9.775e-001     1.744    -0.010     0.000
H(0)            1.216e-003
	H2               6.078e-004  7.079e-004    -3.216    -3.150     0.066
O(0)            0.000e+000
	O2               0.000e+000  0.000e+000   -86.166   -86.100     0.066
S(-2)           1.000e-005
	H2S              1.000e-005  1.165e-005    -5.000    -4.934     0.066
	HS-              2.181e-012  1.332e-012   -11.661   -11.875    -0.214
	S-2              8.247e-025  1.609e-025   -24.084   -24.793    -0.710
S(6)            1.000e-003
	HSO4-            9.599e-004  7.160e-004    -3.018    -3.145    -0.127
	SO4-2            4.012e-005  7.364e-006    -4.397    -5.133    -0.736

------------------------------Saturation indices-------------------------------

	Phase               SI log IAP  log KT

	H2(g)             0.00    0.00    0.00  H2
	H2O(g)           -1.52   -0.01    1.51  H2O
	H2S(g)           -3.94  -11.88   -7.94  H2S
	O2(g)           -83.14   -0.02   83.12  O2
	Sulfur           -9.82  -11.88   -2.06  S

Initial solution 1.	

-----------------------------Solution composition------------------------------

	Elements           Molality       Moles

	S(-2)            1.000e-005  1.000e-005
	S(6)             1.000e-003  1.000e-003

----------------------------Description of solution----------------------------

                                       pH  =   1.000    
                                       pe  =  -1.000    
                        Activity of water  =   0.998
                           Ionic strength  =  5.980e-002
                       Mass of water (kg)  =  1.000e+000
                 Total alkalinity (eq/kg)  = -1.190e-001
                    Total carbon (mol/kg)  =  0.000e+000
                       Total CO2 (mol/kg)  =  0.000e+000
                      Temperature (deg C)  =  25.000
                  Electrical balance (eq)  =  1.170e-001
 Percent error, 100*(Cat-|An|)/(Cat+|An|)  =  98.06
                               Iterations  =   4
                                  Total H  = 1.111328e+002
                                  Total O  = 5.551022e+001

---------------------------------Redox couples---------------------------------

	Redox couple             pe  Eh (volts)

	S(-2)/S(6)           3.9294      0.2324

----------------------------Distribution of species----------------------------

	                                           Log       Log         Log 
	Species            Molality    Activity  Molality  Activity     Gamma

	H+               1.181e-001  1.000e-001    -0.928    -1.000    -0.072
	OH-              1.250e-013  9.990e-014   -12.903   -13.000    -0.097
	H2O              5.551e+001  9.980e-001     1.744    -0.001     0.000
H(0)            1.397e-003
	H2               6.983e-004  7.079e-004    -3.156    -3.150     0.006
O(0)            0.000e+000
	O2               0.000e+000  0.000e+000   -86.088   -86.082     0.006
S(-2)           1.000e-005
	H2S              1.000e-005  1.014e-005    -5.000    -4.994     0.006
	HS-              1.451e-011  1.160e-011   -10.838   -10.936    -0.097
	S-2              3.175e-023  1.401e-023   -22.498   -22.854    -0.355
S(6)            1.000e-003
	HSO4-            8.402e-004  6.815e-004    -3.076    -3.167    -0.091
	SO4-2            1.598e-004  7.009e-005    -3.796    -4.154    -0.358

------------------------------Saturation indices-------------------------------

	Phase               SI log IAP  log KT

	H2(g)             0.00    0.00    0.00  H2
	H2O(g)           -1.51   -0.00    1.51  H2O
	H2S(g)           -4.00  -11.94   -7.94  H2S
	O2(g)           -83.12   -0.00   83.12  O2
	Sulfur           -9.88  -11.94   -2.06  S

Initial solution 2.	

-----------------------------Solution composition------------------------------

	Elements           Molality       Moles

	S(-2)            1.000e-005  1.000e-005
	S(6)             1.000e-003  1.000e-003

----------------------------Description of solution----------------------------

                                       pH  =   2.000    
                                       pe  =  -2.000    
                        Activity of water  =   1.000
                           Ionic strength  =  6.758e-003
                       Mass of water (kg)  =  1.000e+000
                 Total alkalinity (eq/kg)  = -1.124e-002
                    Total carbon (mol/kg)  =  0.000e+000
                       Total CO2 (mol/kg)  =  0.000e+000
                      Temperature (deg C)  =  25.000
                  Electrical balance (eq)  =  9.237e-003
 Percent error, 100*(Cat-|An|)/(Cat+|An|)  =  74.63
                               Iterations  =   4
                                  Total H  = 1.110251e+002
                                  Total O  = 5.551022e+001

---------------------------------Redox couples---------------------------------

	Redox couple             pe  Eh (volts)

	S(-2)/S(6)           2.7749      0.1642

----------------------------Distribution of species----------------------------

	                                           Log       Log         Log 
	Species            Molality    Activity  Molality  Activity     Gamma

	H+               1.081e-002  1.000e-002    -1.966    -2.000    -0.034
	OH-              1.093e-012  1.001e-012   -11.961   -12.000    -0.038
	H2O              5.551e+001  9.998e-001     1.744    -0.000     0.000
H(0)            1.414e-003
	H2               7.068e-004  7.079e-004    -3.151    -3.150     0.001
O(0)            0.000e+000
	O2               0.000e+000  0.000e+000   -86.081   -86.080     0.001
S(-2)           1.000e-005
	H2S              1.000e-005  1.002e-005    -5.000    -4.999     0.001
	HS-              1.251e-010  1.145e-010    -9.903    -9.941    -0.038
	S-2              1.943e-021  1.384e-021   -20.711   -20.859    -0.148
S(6)            1.000e-003
	SO4-2            5.700e-004  4.055e-004    -3.244    -3.392    -0.148
	HSO4-            4.300e-004  3.943e-004    -3.367    -3.404    -0.038

------------------------------Saturation indices-------------------------------

	Phase               SI log IAP  log KT

	H2(g)             0.00    0.00    0.00  H2
	H2O(g)           -1.51   -0.00    1.51  H2O
	H2S(g)           -4.00  -11.94   -7.94  H2S
	O2(g)           -83.12   -0.00   83.12  O2
	Sulfur           -9.88  -11.94   -2.06  S

Initial solution 3.	

-----------------------------Solution composition------------------------------

	Elements           Molality       Moles

	S(-2)            1.000e-005  1.000e-005
	S(6)             1.000e-003  1.000e-003

----------------------------Description of solution----------------------------

                                       pH  =   3.000    
                                       pe  =  -3.000    
                        Activity of water  =   1.000
                           Ionic strength  =  2.411e-003
                       Mass of water (kg)  =  1.000e+000
                 Total alkalinity (eq/kg)  = -1.128e-003
                    Total carbon (mol/kg)  =  0.000e+000
                       Total CO2 (mol/kg)  =  0.000e+000
                      Temperature (deg C)  =  25.000
                  Electrical balance (eq)  = -8.719e-004
 Percent error, 100*(Cat-|An|)/(Cat+|An|)  = -29.31
                               Iterations  =   4
                                  Total H  = 1.110150e+002
                                  Total O  = 5.551022e+001

---------------------------------Redox couples---------------------------------

	Redox couple             pe  Eh (volts)

	S(-2)/S(6)           1.5580      0.0922

----------------------------Distribution of species----------------------------

	                                           Log       Log         Log 
	Species            Molality    Activity  Molality  Activity     Gamma

	H+               1.052e-003  1.000e-003    -2.978    -3.000    -0.022
	OH-              1.057e-011  1.001e-011   -10.976   -11.000    -0.024
	H2O              5.551e+001  1.000e+000     1.744    -0.000     0.000
H(0)            1.415e-003
	H2               7.076e-004  7.079e-004    -3.150    -3.150     0.000
O(0)            0.000e+000
	O2               0.000e+000  0.000e+000   -86.080   -86.080     0.000
S(-2)           1.000e-005
	H2S              9.999e-006  1.000e-005    -5.000    -5.000     0.000
	HS-              1.208e-009  1.144e-009    -8.918    -8.941    -0.024
	S-2              1.710e-019  1.382e-019   -18.767   -18.859    -0.093
S(6)            1.000e-003
	SO4-2            9.234e-004  7.460e-004    -3.035    -3.127    -0.093
	HSO4-            7.656e-005  7.253e-005    -4.116    -4.139    -0.023

------------------------------Saturation indices-------------------------------

	Phase               SI log IAP  log KT

	H2(g)             0.00    0.00    0.00  H2
	H2O(g)           -1.51   -0.00    1.51  H2O
	H2S(g)           -4.00  -11.94   -7.94  H2S
	O2(g)           -83.12   -0.00   83.12  O2
	Sulfur           -9.88  -11.94   -2.06  S

Initial solution 4.	

-----------------------------Solution composition------------------------------

	Elements           Molality       Moles

	S(-2)            1.000e-005  1.000e-005
	S(6)             1.000e-003  1.000e-003

----------------------------Description of solution----------------------------

                                       pH  =   4.000    
                                       pe  =  -4.000    
                        Activity of water  =   1.000
                           Ionic strength  =  2.040e-003
                       Mass of water (kg)  =  1.000e+000
                 Total alkalinity (eq/kg)  = -1.131e-004
                    Total carbon (mol/kg)  =  0.000e+000
                       Total CO2 (mol/kg)  =  0.000e+000
                      Temperature (deg C)  =  25.000
                  Electrical balance (eq)  = -1.887e-003
 Percent error, 100*(Cat-|An|)/(Cat+|An|)  = -90.00
                               Iterations  =   4
                                  Total H  = 1.110140e+002
                                  Total O  = 5.551022e+001

---------------------------------Redox couples---------------------------------

	Redox couple             pe  Eh (volts)

	S(-2)/S(6)           0.3128      0.0185

----------------------------Distribution of species----------------------------

	                                           Log       Log         Log 
	Species            Molality    Activity  Molality  Activity     Gamma

	H+               1.048e-004  1.000e-004    -3.980    -4.000    -0.020
	OH-              1.053e-010  1.001e-010    -9.978   -10.000    -0.022
	H2O              5.551e+001  1.000e+000     1.744    -0.000     0.000
H(0)            1.415e-003
	H2               7.076e-004  7.079e-004    -3.150    -3.150     0.000
O(0)            0.000e+000
	O2               0.000e+000  0.000e+000   -86.080   -86.080     0.000
S(-2)           1.000e-005
	H2S              9.988e-006  9.993e-006    -5.001    -5.000     0.000
	HS-              1.202e-008  1.143e-008    -7.920    -7.942    -0.022
	S-2              1.681e-017  1.380e-017   -16.774   -16.860    -0.086
S(6)            1.000e-003
	SO4-2            9.917e-004  8.140e-004    -3.004    -3.089    -0.086
	HSO4-            8.320e-006  7.914e-006    -5.080    -5.102    -0.022

------------------------------Saturation indices-------------------------------

	Phase               SI log IAP  log KT

	H2(g)             0.00    0.00    0.00  H2
	H2O(g)           -1.51   -0.00    1.51  H2O
	H2S(g)           -4.00  -11.94   -7.94  H2S
	O2(g)           -83.12   -0.00   83.12  O2
	Sulfur           -9.88  -11.94   -2.06  S

Initial solution 5.	

-----------------------------Solution composition------------------------------

	Elements           Molality       Moles

	S(-2)            1.000e-005  1.000e-005
	S(6)             1.000e-003  1.000e-003

----------------------------Description of solution----------------------------

                                       pH  =   5.000    
                                       pe  =  -5.000    
                        Activity of water  =   1.000
                           Ionic strength  =  2.004e-003
                       Mass of water (kg)  =  1.000e+000
                 Total alkalinity (eq/kg)  = -1.119e-005
                    Total carbon (mol/kg)  =  0.000e+000
                       Total CO2 (mol/kg)  =  0.000e+000
                      Temperature (deg C)  =  25.000
                  Electrical balance (eq)  = -1.989e-003
 Percent error, 100*(Cat-|An|)/(Cat+|An|)  = -98.96
                               Iterations  =   4
                                  Total H  = 1.110139e+002
                                  Total O  = 5.551022e+001

---------------------------------Redox couples---------------------------------

	Redox couple             pe  Eh (volts)

	S(-2)/S(6)          -0.9361     -0.0554

----------------------------Distribution of species----------------------------

	                                           Log       Log         Log 
	Species            Molality    Activity  Molality  Activity     Gamma

	H+               1.047e-005  1.000e-005    -4.980    -5.000    -0.020
	OH-              1.052e-009  1.001e-009    -8.978    -9.000    -0.022
	H2O              5.551e+001  1.000e+000     1.744    -0.000     0.000
H(0)            1.415e-003
	H2               7.076e-004  7.079e-004    -3.150    -3.150     0.000
O(0)            0.000e+000
	O2               0.000e+000  0.000e+000   -86.080   -86.080     0.000
S(-2)           1.000e-005
	H2S              9.881e-006  9.886e-006    -5.005    -5.005     0.000
	HS-              1.189e-007  1.131e-007    -6.925    -6.947    -0.022
	S-2              1.661e-015  1.366e-015   -14.780   -14.865    -0.085
S(6)            1.000e-003
	SO4-2            9.992e-004  8.215e-004    -3.000    -3.085    -0.085
	HSO4-            8.392e-007  7.987e-007    -6.076    -6.098    -0.022

------------------------------Saturation indices-------------------------------

	Phase               SI log IAP  log KT

	H2(g)             0.00    0.00    0.00  H2
	H2O(g)           -1.51   -0.00    1.51  H2O
	H2S(g)           -4.01  -11.95   -7.94  H2S
	O2(g)           -83.12   -0.00   83.12  O2
	Sulfur           -9.89  -11.95   -2.06  S

Initial solution 6.	

-----------------------------Solution composition------------------------------

	Elements           Molality       Moles

	S(-2)            1.000e-005  1.000e-005
	S(6)             1.000e-003  1.000e-003

----------------------------Description of solution----------------------------

                                       pH  =   6.000    
                                       pe  =  -6.000    
                        Activity of water  =   1.000
                           Ionic strength  =  2.001e-003
                       Mass of water (kg)  =  1.000e+000
                 Total alkalinity (eq/kg)  = -4.725e-008
                    Total carbon (mol/kg)  =  0.000e+000
                       Total CO2 (mol/kg)  =  0.000e+000
                      Temperature (deg C)  =  25.000
                  Electrical balance (eq)  = -2.000e-003
 Percent error, 100*(Cat-|An|)/(Cat+|An|)  = -99.90
                               Iterations  =   4
                                  Total H  = 1.110139e+002
                                  Total O  = 5.551022e+001

---------------------------------Redox couples---------------------------------

	Redox couple             pe  Eh (volts)

	S(-2)/S(6)          -2.1805     -0.1290

----------------------------Distribution of species----------------------------

	                                           Log       Log         Log 
	Species            Molality    Activity  Molality  Activity     Gamma

	H+               1.047e-006  1.000e-006    -5.980    -6.000    -0.020
	OH-              1.052e-008  1.001e-008    -7.978    -8.000    -0.022
	H2O              5.551e+001  1.000e+000     1.744    -0.000     0.000
H(0)            1.415e-003
	H2               7.076e-004  7.079e-004    -3.150    -3.150     0.000
O(0)            0.000e+000
	O2               0.000e+000  0.000e+000   -86.080   -86.080     0.000
S(-2)           1.000e-005
	H2S              8.926e-006  8.930e-006    -5.049    -5.049     0.000
	HS-              1.074e-006  1.021e-006    -5.969    -5.991    -0.022
	S-2              1.500e-013  1.234e-013   -12.824   -12.909    -0.085
S(6)            1.000e-003
	SO4-2            9.999e-004  8.222e-004    -3.000    -3.085    -0.085
	HSO4-            8.400e-008  7.994e-008    -7.076    -7.097    -0.022

------------------------------Saturation indices-------------------------------

	Phase               SI log IAP  log KT

	H2(g)             0.00    0.00    0.00  H2
	H2O(g)           -1.51   -0.00    1.51  H2O
	H2S(g)           -4.05  -11.99   -7.94  H2S
	O2(g)           -83.12   -0.00   83.12  O2
	Sulfur           -9.93  -11.99   -2.06  S

Initial solution 7.	

-----------------------------Solution composition------------------------------

	Elements           Molality       Moles

	S(-2)            1.000e-005  1.000e-005
	S(6)             1.000e-003  1.000e-003

----------------------------Description of solution----------------------------

                                       pH  =   7.000    
                                       pe  =  -7.000    
                        Activity of water  =   1.000
                           Ionic strength  =  2.003e-003
                       Mass of water (kg)  =  1.000e+000
                 Total alkalinity (eq/kg)  =  5.452e-006
                    Total carbon (mol/kg)  =  0.000e+000
                       Total CO2 (mol/kg)  =  0.000e+000
                      Temperature (deg C)  =  25.000
                  Electrical balance (eq)  = -2.005e-003
 Percent error, 100*(Cat-|An|)/(Cat+|An|)  = -99.99
                               Iterations  =   4
                                  Total H  = 1.110139e+002
                                  Total O  = 5.551022e+001

---------------------------------Redox couples---------------------------------

	Redox couple             pe  Eh (volts)

	S(-2)/S(6)          -3.3938     -0.2008

----------------------------Distribution of species----------------------------

	                                           Log       Log         Log 
	Species            Molality    Activity  Molality  Activity     Gamma

	OH-              1.052e-007  1.001e-007    -6.978    -7.000    -0.022
	H+               1.047e-007  1.000e-007    -6.980    -7.000    -0.020
	H2O              5.551e+001  1.000e+000     1.744    -0.000     0.000
H(0)            1.415e-003
	H2               7.076e-004  7.079e-004    -3.150    -3.150     0.000
O(0)            0.000e+000
	O2               0.000e+000  0.000e+000   -86.080   -86.080     0.000
S(-2)           1.000e-005
	HS-              5.460e-006  5.194e-006    -5.263    -5.284    -0.022
	H2S              4.540e-006  4.542e-006    -5.343    -5.343     0.000
	S-2              7.629e-012  6.274e-012   -11.118   -11.202    -0.085
S(6)            1.000e-003
	SO4-2            1.000e-003  8.222e-004    -3.000    -3.085    -0.085
	HSO4-            8.400e-009  7.994e-009    -8.076    -8.097    -0.022

------------------------------Saturation indices-------------------------------

	Phase               SI log IAP  log KT

	H2(g)             0.00    0.00    0.00  H2
	H2O(g)           -1.51   -0.00    1.51  H2O
	H2S(g)           -4.35  -12.28   -7.94  H2S
	O2(g)           -83.12   -0.00   83.12  O2
	Sulfur          -10.22  -12.28   -2.06  S

Initial solution 8.	

-----------------------------Solution composition------------------------------

	Elements           Molality       Moles

	S(-2)            1.000e-005  1.000e-005
	S(6)             1.000e-003  1.000e-003

----------------------------Description of solution----------------------------

                                       pH  =   8.000    
                                       pe  =  -8.000    
                        Activity of water  =   1.000
                           Ionic strength  =  2.005e-003
                       Mass of water (kg)  =  1.000e+000
                 Total alkalinity (eq/kg)  =  1.027e-005
                    Total carbon (mol/kg)  =  0.000e+000
                       Total CO2 (mol/kg)  =  0.000e+000
                      Temperature (deg C)  =  25.000
                  Electrical balance (eq)  = -2.010e-003
 Percent error, 100*(Cat-|An|)/(Cat+|An|)  = -100.00
                               Iterations  =   4
                                  Total H  = 1.110139e+002
                                  Total O  = 5.551022e+001

---------------------------------Redox couples---------------------------------

	Redox couple             pe  Eh (volts)

	S(-2)/S(6)          -4.5473     -0.2690

----------------------------Distribution of species----------------------------

	                                           Log       Log         Log 
	Species            Molality    Activity  Molality  Activity     Gamma

	OH-              1.052e-006  1.001e-006    -5.978    -6.000    -0.022
	H+               1.047e-008  1.000e-008    -7.980    -8.000    -0.020
	H2O              5.551e+001  1.000e+000     1.744    -0.000     0.000
H(0)            1.415e-003
	H2               7.076e-004  7.079e-004    -3.150    -3.150     0.000
O(0)            0.000e+000
	O2               0.000e+000  0.000e+000   -86.080   -86.080     0.000
S(-2)           1.000e-005
	HS-              9.232e-006  8.783e-006    -5.035    -5.056    -0.022
	H2S              7.675e-007  7.679e-007    -6.115    -6.115     0.000
	S-2              1.290e-010  1.061e-010    -9.889    -9.974    -0.085
S(6)            1.000e-003
	SO4-2            1.000e-003  8.221e-004    -3.000    -3.085    -0.085
	HSO4-            8.399e-010  7.993e-010    -9.076    -9.097    -0.022

------------------------------Saturation indices-------------------------------

	Phase               SI log IAP  log KT

	H2(g)             0.00    0.00    0.00  H2
	H2O(g)           -1.51   -0.00    1.51  H2O
	H2S(g)           -5.12  -13.06   -7.94  H2S
	O2(g)           -83.12   -0.00   83.12  O2
	Sulfur          -11.00  -13.06   -2.06  S

Initial solution 9.	

-----------------------------Solution composition------------------------------

	Elements           Molality       Moles

	S(-2)            1.000e-005  1.000e-005
	S(6)             1.000e-003  1.000e-003

----------------------------Description of solution----------------------------

                                       pH  =   9.000    
                                       pe  =  -9.000    
                        Activity of water  =   1.000
                           Ionic strength  =  2.010e-003
                       Mass of water (kg)  =  1.000e+000
                 Total alkalinity (eq/kg)  =  2.044e-005
                    Total carbon (mol/kg)  =  0.000e+000
                       Total CO2 (mol/kg)  =  0.000e+000
                      Temperature (deg C)  =  25.000
                  Electrical balance (eq)  = -2.020e-003
 Percent error, 100*(Cat-|An|)/(Cat+|An|)  = -100.00
                               Iterations  =   4
                                  Total H  = 1.110139e+002
                                  Total O  = 5.551023e+001

---------------------------------Redox couples---------------------------------

	Redox couple             pe  Eh (volts)

	S(-2)/S(6)          -5.6762     -0.3358

----------------------------Distribution of species----------------------------

	                                           Log       Log         Log 
	Species            Molality    Activity  Molality  Activity     Gamma

	OH-              1.052e-005  1.001e-005    -4.978    -5.000    -0.022
	H+               1.048e-009  1.000e-009    -8.980    -9.000    -0.020
	H2O              5.551e+001  1.000e+000     1.744    -0.000     0.000
H(0)            1.415e-003
	H2               7.076e-004  7.079e-004    -3.150    -3.150     0.000
O(0)            0.000e+000
	O2               0.000e+000  0.000e+000   -86.080   -86.080     0.000
S(-2)           1.000e-005
	HS-              9.916e-006  9.433e-006    -5.004    -5.025    -0.022
	H2S              8.243e-008  8.247e-008    -7.084    -7.084     0.000
	S-2              1.386e-009  1.139e-009    -8.858    -8.943    -0.085
S(6)            1.000e-003
	SO4-2            1.000e-003  8.219e-004    -3.000    -3.085    -0.085
	HSO4-            8.398e-011  7.991e-011   -10.076   -10.097    -0.022

------------------------------Saturation indices-------------------------------

	Phase               SI log IAP  log KT

	H2(g)             0.00    0.00    0.00  H2
	H2O(g)           -1.51   -0.00    1.51  H2O
	H2S(g)           -6.09  -14.03   -7.94  H2S
	O2(g)           -83.12   -0.00   83.12  O2
	Sulfur          -11.97  -14.03   -2.06  S

Initial solution 10.	

-----------------------------Solution composition------------------------------

	Elements           Molality       Moles

	S(-2)            1.000e-005  1.000e-005
	S(6)             1.000e-003  1.000e-003

----------------------------Description of solution----------------------------

                                       pH  =  10.000    
                                       pe  = -10.000    
                        Activity of water  =   1.000
                           Ionic strength  =  2.058e-003
                       Mass of water (kg)  =  1.000e+000
                 Total alkalinity (eq/kg)  =  1.153e-004
                    Total carbon (mol/kg)  =  0.000e+000
                       Total CO2 (mol/kg)  =  0.000e+000
                      Temperature (deg C)  =  25.000
                  Electrical balance (eq)  = -2.115e-003
 Percent error, 100*(Cat-|An|)/(Cat+|An|)  = -100.00
                               Iterations  =   4
                                  Total H  = 1.110140e+002
                                  Total O  = 5.551032e+001

---------------------------------Redox couples---------------------------------

	Redox couple             pe  Eh (volts)

	S(-2)/S(6)          -6.8016     -0.4024

----------------------------Distribution of species----------------------------

	                                           Log       Log         Log 
	Species            Molality    Activity  Molality  Activity     Gamma

	OH-              1.053e-004  1.001e-004    -3.978    -4.000    -0.022
	H+               1.048e-010  1.000e-010    -9.980   -10.000    -0.020
	H2O              5.551e+001  1.000e+000     1.744    -0.000     0.000
H(0)            1.415e-003
	H2               7.076e-004  7.079e-004    -3.150    -3.150     0.000
O(0)            0.000e+000
	O2               0.000e+000  0.000e+000   -86.080   -86.080     0.000
S(-2)           1.000e-005
	HS-              9.978e-006  9.486e-006    -5.001    -5.023    -0.022
	S-2              1.397e-008  1.146e-008    -7.855    -7.941    -0.086
	H2S              8.290e-009  8.294e-009    -8.081    -8.081     0.000
S(6)            1.000e-003
	SO4-2            1.000e-003  8.202e-004    -3.000    -3.086    -0.086
	HSO4-            8.384e-012  7.974e-012   -11.077   -11.098    -0.022

------------------------------Saturation indices-------------------------------

	Phase               SI log IAP  log KT

	H2(g)             0.00    0.00    0.00  H2
	H2O(g)           -1.51   -0.00    1.51  H2O
	H2S(g)           -7.08  -15.02   -7.94  H2S
	O2(g)           -83.12   -0.00   83.12  O2
	Sulfur          -12.96  -15.02   -2.06  S

Initial solution 11.	

-----------------------------Solution composition------------------------------

	Elements           Molality       Moles

	S(-2)            1.000e-005  1.000e-005
	S(6)             1.000e-003  1.000e-003

----------------------------Description of solution----------------------------

                                       pH  =  11.000    
                                       pe  = -11.000    
                        Activity of water  =   1.000
                           Ionic strength  =  2.534e-003
                       Mass of water (kg)  =  1.000e+000
                 Total alkalinity (eq/kg)  =  1.069e-003
                    Total carbon (mol/kg)  =  0.000e+000
                       Total CO2 (mol/kg)  =  0.000e+000
                      Temperature (deg C)  =  25.000
                  Electrical balance (eq)  = -3.069e-003
 Percent error, 100*(Cat-|An|)/(Cat+|An|)  = -100.00
                               Iterations  =   4
                                  Total H  = 1.110149e+002
                                  Total O  = 5.551128e+001

---------------------------------Redox couples---------------------------------

	Redox couple             pe  Eh (volts)

	S(-2)/S(6)          -7.9268     -0.4689

----------------------------Distribution of species----------------------------

	                                           Log       Log         Log 
	Species            Molality    Activity  Molality  Activity     Gamma

	OH-              1.058e-003  1.001e-003    -2.975    -3.000    -0.024
	H+               1.053e-011  1.000e-011   -10.978   -11.000    -0.022
	H2O              5.551e+001  1.000e+000     1.744    -0.000     0.000
H(0)            1.415e-003
	H2               7.075e-004  7.079e-004    -3.150    -3.150     0.000
O(0)            0.000e+000
	O2               0.000e+000  0.000e+000   -86.080   -86.080     0.000
S(-2)           1.000e-005
	HS-              9.859e-006  9.324e-006    -5.006    -5.030    -0.024
	S-2              1.401e-007  1.126e-007    -6.854    -6.948    -0.095
	H2S              8.148e-010  8.152e-010    -9.089    -9.089     0.000
S(6)            1.000e-003
	SO4-2            1.000e-003  8.038e-004    -3.000    -3.095    -0.095
	HSO4-            8.260e-013  7.815e-013   -12.083   -12.107    -0.024

------------------------------Saturation indices-------------------------------

	Phase               SI log IAP  log KT

	H2(g)             0.00    0.00    0.00  H2
	H2O(g)           -1.51   -0.00    1.51  H2O
	H2S(g)           -8.09  -16.03   -7.94  H2S
	O2(g)           -83.12   -0.00   83.12  O2
	Sulfur          -13.97  -16.03   -2.06  S

Initial solution 12.	

-----------------------------Solution composition------------------------------

	Elements           Molality       Moles

	S(-2)            1.000e-005  1.000e-005
	S(6)             1.000e-003  1.000e-003

----------------------------Description of solution----------------------------

                                       pH  =  12.000    
                                       pe  = -12.000    
                        Activity of water  =   1.000
                           Ionic strength  =  7.495e-003
                       Mass of water (kg)  =  1.000e+000
                 Total alkalinity (eq/kg)  =  1.099e-002
                    Total carbon (mol/kg)  =  0.000e+000
                       Total CO2 (mol/kg)  =  0.000e+000
                      Temperature (deg C)  =  25.000
                  Electrical balance (eq)  = -1.299e-002
 Percent error, 100*(Cat-|An|)/(Cat+|An|)  = -100.00
                               Iterations  =   4
                                  Total H  = 1.110248e+002
                                  Total O  = 5.552119e+001

---------------------------------Redox couples---------------------------------

	Redox couple             pe  Eh (volts)

	S(-2)/S(6)          -9.0501     -0.5354

----------------------------Distribution of species----------------------------

	                                           Log       Log         Log 
	Species            Molality    Activity  Molality  Activity     Gamma

	OH-              1.098e-002  1.001e-002    -1.960    -2.000    -0.040
	H+               1.084e-012  1.000e-012   -11.965   -12.000    -0.035
	H2O              5.551e+001  9.998e-001     1.744    -0.000     0.000
H(0)            1.413e-003
	H2               7.067e-004  7.079e-004    -3.151    -3.150     0.001
O(0)            0.000e+000
	O2               0.000e+000  0.000e+000   -86.081   -86.080     0.001
S(-2)           1.000e-005
	HS-              8.642e-006  7.880e-006    -5.063    -5.103    -0.040
	S-2              1.358e-006  9.517e-007    -5.867    -6.021    -0.154
	H2S              6.878e-011  6.889e-011   -10.163   -10.162     0.001
S(6)            1.000e-003
	SO4-2            1.000e-003  7.003e-004    -3.000    -3.155    -0.155
	HSO4-            7.456e-014  6.808e-014   -13.128   -13.167    -0.039

------------------------------Saturation indices-------------------------------

	Phase               SI log IAP  log KT

	H2(g)             0.00    0.00    0.00  H2
	H2O(g)           -1.51   -0.00    1.51  H2O
	H2S(g)           -9.16  -17.10   -7.94  H2S
	O2(g)           -83.12   -0.00   83.12  O2
	Sulfur          -15.04  -17.10   -2.06  S

Initial solution 13.	

-----------------------------Solution composition------------------------------

	Elements           Molality       Moles

	S(-2)            1.000e-005  1.000e-005
	S(6)             1.000e-003  1.000e-003

----------------------------Description of solution----------------------------

                                       pH  =  13.000    
                                       pe  = -13.000    
                        Activity of water  =   0.998
                           Ionic strength  =  6.495e-002
                       Mass of water (kg)  =  1.000e+000
                 Total alkalinity (eq/kg)  =  1.259e-001
                    Total carbon (mol/kg)  =  0.000e+000
                       Total CO2 (mol/kg)  =  0.000e+000
                      Temperature (deg C)  =  25.000
                  Electrical balance (eq)  = -1.279e-001
 Percent error, 100*(Cat-|An|)/(Cat+|An|)  = -100.00
                               Iterations  =   4
                                  Total H  = 1.111397e+002
                                  Total O  = 5.563609e+001

---------------------------------Redox couples---------------------------------

	Redox couple             pe  Eh (volts)

	S(-2)/S(6)         -10.1382     -0.5997

----------------------------Distribution of species----------------------------

	                                           Log       Log         Log 
	Species            Molality    Activity  Molality  Activity     Gamma

	OH-              1.259e-001  9.989e-002    -0.900    -1.000    -0.100
	H+               1.186e-013  1.000e-013   -12.926   -13.000    -0.074
	H2O              5.551e+001  9.978e-001     1.744    -0.001     0.000
H(0)            1.395e-003
	H2               6.974e-004  7.079e-004    -3.156    -3.150     0.006
O(0)            0.000e+000
	O2               0.000e+000  0.000e+000   -86.088   -86.082     0.006
S(-2)           1.000e-005
	S-2              6.901e-006  2.971e-006    -5.161    -5.527    -0.366
	HS-              3.099e-006  2.460e-006    -5.509    -5.609    -0.100
	H2S              2.119e-012  2.150e-012   -11.674   -11.667     0.006
S(6)            1.000e-003
	SO4-2            1.000e-003  4.279e-004    -3.000    -3.369    -0.369
	HSO4-            5.160e-015  4.160e-015   -14.287   -14.381    -0.094

------------------------------Saturation indices-------------------------------

	Phase               SI log IAP  log KT

	H2(g)             0.00    0.00    0.00  H2
	H2O(g)           -1.51   -0.00    1.51  H2O
	H2S(g)          -10.67  -18.61   -7.94  H2S
	O2(g)           -83.12   -0.00   83.12  O2
	Sulfur          -16.55  -18.61   -2.06  S

Initial solution 14.	

-----------------------------Solution composition------------------------------

	Elements           Molality       Moles

	S(-2)            1.000e-005  1.000e-005
	S(6)             1.000e-003  1.000e-003

----------------------------Description of solution----------------------------

                                       pH  =  14.000    
                                       pe  = -14.000    
                        Activity of water  =   0.972
                           Ionic strength  =  8.209e-001
                       Mass of water (kg)  =  1.000e+000
                 Total alkalinity (eq/kg)  =  1.638e+000
                    Total carbon (mol/kg)  =  0.000e+000
                       Total CO2 (mol/kg)  =  0.000e+000
                      Temperature (deg C)  =  25.000
                  Electrical balance (eq)  = -1.640e+000
 Percent error, 100*(Cat-|An|)/(Cat+|An|)  = -100.00
                               Iterations  =   6
                                  Total H  = 1.126515e+002
                                  Total O  = 5.714806e+001

---------------------------------Redox couples---------------------------------

	Redox couple             pe  Eh (volts)

	S(-2)/S(6)         -11.1551     -0.6599

----------------------------Distribution of species----------------------------

	                                           Log       Log         Log 
	Species            Molality    Activity  Molality  Activity     Gamma

	OH-              1.638e+000  9.732e-001     0.214    -0.012    -0.226
	H+               1.335e-014  1.000e-014   -13.875   -14.000    -0.125
	H2O              5.551e+001  9.721e-001     1.744    -0.012     0.000
H(0)            1.172e-003
	H2               5.860e-004  7.079e-004    -3.232    -3.150     0.082
O(0)            0.000e+000
	O2               0.000e+000  0.000e+000   -86.187   -86.105     0.082
S(-2)           1.000e-005
	S-2              9.754e-006  1.766e-006    -5.011    -5.753    -0.742
	HS-              2.461e-007  1.462e-007    -6.609    -6.835    -0.226
	H2S              1.058e-014  1.279e-014   -13.975   -13.893     0.082
S(6)            1.000e-003
	SO4-2            1.000e-003  1.679e-004    -3.000    -3.775    -0.775
	HSO4-            2.136e-016  1.632e-016   -15.670   -15.787    -0.117

------------------------------Saturation indices-------------------------------

	Phase               SI log IAP  log KT

	H2(g)             0.00    0.00    0.00  H2
	H2O(g)           -1.52   -0.01    1.51  H2O
	H2S(g)          -12.90  -20.83   -7.94  H2S
	O2(g)           -83.14   -0.02   83.12  O2
	Sulfur          -18.78  -20.83   -2.06  S

------------------
End of simulation.
------------------

------------------------------------
Reading input data for simulation 4.
------------------------------------

	USER_PUNCH
		headings	pe_end_o2
	10 PUNCH -LA("e-")
	SOLUTION 0
		pH	0
		pe	4	O2(g) -2
	SOLUTION 1
		pH	1
		pe	4	O2(g) -2
	SOLUTION 2
		pH	2
		pe	4	O2(g) -2
	SOLUTION 3
		pH	3
		pe	4	O2(g) -2
	SOLUTION 4
		pH	4
		pe	4	O2(g) -2
	SOLUTION 5
		pH	5
		pe	4	O2(g) -2
	SOLUTION 6
		pH	6
		pe	4	O2(g) -2
	SOLUTION 7
		pH	7
		pe	4	O2(g) -2
	SOLUTION 8
		pH	8
		pe	4	O2(g) -2
	SOLUTION 9
		pH	9
		pe	4	O2(g) -2
	SOLUTION 10
		pH	10
		pe	4	O2(g) -2
	SOLUTION 11
		pH	11
		pe	4	O2(g) -2
	SOLUTION 12
		pH	12
		pe	4	O2(g) -2
	SOLUTION 13
		pH	13
		pe	4	O2(g) -2
	SOLUTION 14
		pH	14
		pe	4	O2(g) -2
	END
-------------------------------------------
Beginning of initial solution calculations.
-------------------------------------------

Initial solution 0.	

-----------------------------Solution composition------------------------------

	Elements           Molality       Moles

	Pure water
    
----------------------------Description of solution----------------------------

                                       pH  =   0.000    
                                       pe  =  20.285      Equilibrium with O2(g)
                        Activity of water  =   0.978
                           Ionic strength  =  6.618e-001
                       Mass of water (kg)  =  1.000e+000
                 Total alkalinity (eq/kg)  = -1.324e+000
                    Total carbon (mol/kg)  =  0.000e+000
                       Total CO2 (mol/kg)  =  0.000e+000
                      Temperature (deg C)  =  25.000
                  Electrical balance (eq)  =  1.324e+000
 Percent error, 100*(Cat-|An|)/(Cat+|An|)  = 100.00
                               Iterations  =   9
                                  Total H  = 1.123359e+002
                                  Total O  = 5.550624e+001

----------------------------Distribution of species----------------------------

	                                           Log       Log         Log 
	Species            Molality    Activity  Molality  Activity     Gamma

	H+               1.324e+000  1.000e+000     0.122     0.000    -0.122
	OH-              1.602e-014  9.786e-015   -13.795   -14.009    -0.214
	H2O              5.551e+001  9.775e-001     1.744    -0.010     0.000
H(0)            0.000e+000
	H2               0.000e+000  0.000e+000   -43.786   -43.720     0.066
O(0)            1.883e-005
	O2               9.415e-006  1.096e-005    -5.026    -4.960     0.066

------------------------------Saturation indices-------------------------------

	Phase               SI log IAP  log KT

	H2(g)           -40.57  -40.57    0.00  H2
	H2O(g)           -1.52   -0.01    1.51  H2O
	O2(g)            -2.00   81.12   83.12  O2

Initial solution 1.	

-----------------------------Solution composition------------------------------

	Elements           Molality       Moles

	Pure water
    
----------------------------Description of solution----------------------------

                                       pH  =   1.000    
                                       pe  =  19.280      Equilibrium with O2(g)
                        Activity of water  =   0.998
                           Ionic strength  =  5.902e-002
                       Mass of water (kg)  =  1.000e+000
                 Total alkalinity (eq/kg)  = -1.180e-001
                    Total carbon (mol/kg)  =  0.000e+000
                       Total CO2 (mol/kg)  =  0.000e+000
                      Temperature (deg C)  =  25.000
                  Electrical balance (eq)  =  1.180e-001
 Percent error, 100*(Cat-|An|)/(Cat+|An|)  = 100.00
                               Iterations  =   8
                                  Total H  = 1.111305e+002
                                  Total O  = 5.550624e+001

----------------------------Distribution of species----------------------------

	                                           Log       Log         Log 
	Species            Molality    Activity  Molality  Activity     Gamma

	H+               1.180e-001  1.000e-001    -0.928    -1.000    -0.072
	OH-              1.248e-013  9.991e-014   -12.904   -13.000    -0.097
	H2O              5.551e+001  9.980e-001     1.744    -0.001     0.000
H(0)            0.000e+000
	H2               0.000e+000  0.000e+000   -43.717   -43.711     0.006
O(0)            2.163e-005
	O2               1.082e-005  1.096e-005    -4.966    -4.960     0.006

------------------------------Saturation indices-------------------------------

	Phase               SI log IAP  log KT

	H2(g)           -40.56  -40.56    0.00  H2
	H2O(g)           -1.51   -0.00    1.51  H2O
	O2(g)            -2.00   81.12   83.12  O2

Initial solution 2.	

-----------------------------Solution composition------------------------------

	Elements           Molality       Moles

	Pure water
    
----------------------------Description of solution----------------------------

                                       pH  =   2.000    
                                       pe  =  18.280      Equilibrium with O2(g)
                        Activity of water  =   1.000
                           Ionic strength  =  5.366e-003
                       Mass of water (kg)  =  1.000e+000
                 Total alkalinity (eq/kg)  = -1.073e-002
                    Total carbon (mol/kg)  =  0.000e+000
                       Total CO2 (mol/kg)  =  0.000e+000
                      Temperature (deg C)  =  25.000
                  Electrical balance (eq)  =  1.073e-002
 Percent error, 100*(Cat-|An|)/(Cat+|An|)  = 100.00
                               Iterations  =   8
                                  Total H  = 1.110232e+002
                                  Total O  = 5.550624e+001

----------------------------Distribution of species----------------------------

	                                           Log       Log         Log 
	Species            Molality    Activity  Molality  Activity     Gamma

	H+               1.073e-002  1.000e-002    -1.969    -2.000    -0.031
	OH-              1.083e-012  1.001e-012   -11.965   -12.000    -0.034
	H2O              5.551e+001  9.998e-001     1.744    -0.000     0.000
H(0)            0.000e+000
	H2               0.000e+000  0.000e+000   -43.711   -43.710     0.001
O(0)            2.190e-005
	O2               1.095e-005  1.096e-005    -4.961    -4.960     0.001

------------------------------Saturation indices-------------------------------

	Phase               SI log IAP  log KT

	H2(g)           -40.56  -40.56    0.00  H2
	H2O(g)           -1.51   -0.00    1.51  H2O
	O2(g)            -2.00   81.12   83.12  O2

Initial solution 3.	

-----------------------------Solution composition------------------------------

	Elements           Molality       Moles

	Pure water
    
----------------------------Description of solution----------------------------

                                       pH  =   3.000    
                                       pe  =  17.280      Equilibrium with O2(g)
                        Activity of water  =   1.000
                           Ionic strength  =  5.126e-004
                       Mass of water (kg)  =  1.000e+000
                 Total alkalinity (eq/kg)  = -1.025e-003
                    Total carbon (mol/kg)  =  0.000e+000
                       Total CO2 (mol/kg)  =  0.000e+000
                      Temperature (deg C)  =  25.000
                  Electrical balance (eq)  =  1.025e-003
 Percent error, 100*(Cat-|An|)/(Cat+|An|)  = 100.00
                               Iterations  =   8
                                  Total H  = 1.110135e+002
                                  Total O  = 5.550624e+001

----------------------------Distribution of species----------------------------

	                                           Log       Log         Log 
	Species            Molality    Activity  Molality  Activity     Gamma

	H+               1.025e-003  1.000e-003    -2.989    -3.000    -0.011
	OH-              1.027e-011  1.001e-011   -10.988   -11.000    -0.011
	H2O              5.551e+001  1.000e+000     1.744    -0.000     0.000
H(0)            0.000e+000
	H2               0.000e+000  0.000e+000   -43.710   -43.710     0.000
O(0)            2.193e-005
	O2               1.096e-005  1.096e-005    -4.960    -4.960     0.000

------------------------------Saturation indices-------------------------------

	Phase               SI log IAP  log KT

	H2(g)           -40.56  -40.56    0.00  H2
	H2O(g)           -1.51   -0.00    1.51  H2O
	O2(g)            -2.00   81.12   83.12  O2

Initial solution 4.	

-----------------------------Solution composition------------------------------

	Elements           Molality       Moles

	Pure water
    
----------------------------Description of solution----------------------------

                                       pH  =   4.000    
                                       pe  =  16.280      Equilibrium with O2(g)
                        Activity of water  =   1.000
                           Ionic strength  =  5.041e-005
                       Mass of water (kg)  =  1.000e+000
                 Total alkalinity (eq/kg)  = -1.008e-004
                    Total carbon (mol/kg)  =  0.000e+000
                       Total CO2 (mol/kg)  =  0.000e+000
                      Temperature (deg C)  =  25.000
                  Electrical balance (eq)  =  1.008e-004
 Percent error, 100*(Cat-|An|)/(Cat+|An|)  = 100.00
                               Iterations  =   7
                                  Total H  = 1.110125e+002
                                  Total O  = 5.550624e+001

----------------------------Distribution of species----------------------------

	                                           Log       Log         Log 
	Species            Molality    Activity  Molality  Activity     Gamma

	H+               1.008e-004  1.000e-004    -3.996    -4.000    -0.004
	OH-              1.009e-010  1.001e-010    -9.996   -10.000    -0.004
	H2O              5.551e+001  1.000e+000     1.744    -0.000     0.000
H(0)            0.000e+000
	H2               0.000e+000  0.000e+000   -43.710   -43.710     0.000
O(0)            2.193e-005
	O2               1.096e-005  1.096e-005    -4.960    -4.960     0.000

------------------------------Saturation indices-------------------------------

	Phase               SI log IAP  log KT

	H2(g)           -40.56  -40.56    0.00  H2
	H2O(g)           -1.51   -0.00    1.51  H2O
	O2(g)            -2.00   81.12   83.12  O2

Initial solution 5.	

-----------------------------Solution composition------------------------------

	Elements           Molality       Moles

	Pure water
    
----------------------------Description of solution----------------------------

                                       pH  =   5.000    
                                       pe  =  15.280      Equilibrium with O2(g)
                        Activity of water  =   1.000
                           Ionic strength  =  5.014e-006
                       Mass of water (kg)  =  1.000e+000
                 Total alkalinity (eq/kg)  = -1.003e-005
                    Total carbon (mol/kg)  =  0.000e+000
                       Total CO2 (mol/kg)  =  0.000e+000
                      Temperature (deg C)  =  25.000
                  Electrical balance (eq)  =  1.003e-005
 Percent error, 100*(Cat-|An|)/(Cat+|An|)  =  99.98
                               Iterations  =   7
                                  Total H  = 1.110124e+002
                                  Total O  = 5.550624e+001

----------------------------Distribution of species----------------------------

	                                           Log       Log         Log 
	Species            Molality    Activity  Molality  Activity     Gamma

	H+               1.003e-005  1.000e-005    -4.999    -5.000    -0.001
	OH-              1.004e-009  1.001e-009    -8.998    -9.000    -0.001
	H2O              5.551e+001  1.000e+000     1.744    -0.000     0.000
H(0)            0.000e+000
	H2               0.000e+000  0.000e+000   -43.710   -43.710     0.000
O(0)            2.193e-005
	O2               1.096e-005  1.096e-005    -4.960    -4.960     0.000

------------------------------Saturation indices-------------------------------

	Phase               SI log IAP  log KT

	H2(g)           -40.56  -40.56    0.00  H2
	H2O(g)           -1.51   -0.00    1.51  H2O
	O2(g)            -2.00   81.12   83.12  O2

Initial solution 6.	

-----------------------------Solution composition------------------------------

	Elements           Molality       Moles

	Pure water
    
----------------------------Description of solution----------------------------

                                       pH  =   6.000    
                                       pe  =  14.280      Equilibrium with O2(g)
                        Activity of water  =   1.000
                           Ionic strength  =  5.054e-007
                       Mass of water (kg)  =  1.000e+000
                 Total alkalinity (eq/kg)  = -9.908e-007
                    Total carbon (mol/kg)  =  0.000e+000
                       Total CO2 (mol/kg)  =  0.000e+000
                      Temperature (deg C)  =  25.000
                  Electrical balance (eq)  =  9.908e-007
 Percent error, 100*(Cat-|An|)/(Cat+|An|)  =  98.02
                               Iterations  =   6
                                  Total H  = 1.110124e+002
                                  Total O  = 5.550624e+001

----------------------------Distribution of species----------------------------

	                                           Log       Log         Log 
	Species            Molality    Activity  Molality  Activity     Gamma

	H+               1.001e-006  1.000e-006    -6.000    -6.000    -0.000
	OH-              1.002e-008  1.001e-008    -7.999    -8.000    -0.000
	H2O              5.551e+001  1.000e+000     1.744    -0.000     0.000
H(0)            0.000e+000
	H2               0.000e+000  0.000e+000   -43.710   -43.710     0.000
O(0)            2.193e-005
	O2               1.096e-005  1.096e-005    -4.960    -4.960     0.000

------------------------------Saturation indices-------------------------------

	Phase               SI log IAP  log KT

	H2(g)           -40.56  -40.56    0.00  H2
	H2O(g)           -1.51   -0.00    1.51  H2O
	O2(g)            -2.00   81.12   83.12  O2

Initial solution 7.	

-----------------------------Solution composition------------------------------

	Elements           Molality       Moles

	Pure water
    
----------------------------Description of solution----------------------------

                                       pH  =   7.000    
                                       pe  =  13.280      Equilibrium with O2(g)
                        Activity of water  =   1.000
                           Ionic strength  =  1.001e-007
                       Mass of water (kg)  =  1.000e+000
                 Total alkalinity (eq/kg)  =  1.082e-010
                    Total carbon (mol/kg)  =  0.000e+000
                       Total CO2 (mol/kg)  =  0.000e+000
                      Temperature (deg C)  =  25.000
                  Electrical balance (eq)  = -1.082e-010
 Percent error, 100*(Cat-|An|)/(Cat+|An|)  =  -0.05
                               Iterations  =   6
                                  Total H  = 1.110124e+002
                                  Total O  = 5.550624e+001

----------------------------Distribution of species----------------------------

	                                           Log       Log         Log 
	Species            Molality    Activity  Molality  Activity     Gamma

	OH-              1.001e-007  1.001e-007    -6.999    -7.000    -0.000
	H+               1.000e-007  1.000e-007    -7.000    -7.000    -0.000
	H2O              5.551e+001  1.000e+000     1.744    -0.000     0.000
H(0)            0.000e+000
	H2               0.000e+000  0.000e+000   -43.710   -43.710     0.000
O(0)            2.193e-005
	O2               1.096e-005  1.096e-005    -4.960    -4.960     0.000

------------------------------Saturation indices-------------------------------

	Phase               SI log IAP  log KT

	H2(g)           -40.56  -40.56    0.00  H2
	H2O(g)           -1.51   -0.00    1.51  H2O
	O2(g)            -2.00   81.12   83.12  O2

Initial solution 8.	

-----------------------------Solution composition------------------------------

	Elements           Molality       Moles

	Pure water
    
----------------------------Description of solution----------------------------

                                       pH  =   8.000    
                                       pe  =  12.280      Equilibrium with O2(g)
                        Activity of water  =   1.000
                           Ionic strength  =  5.060e-007
                       Mass of water (kg)  =  1.000e+000
                 Total alkalinity (eq/kg)  =  9.919e-007
                    Total carbon (mol/kg)  =  0.000e+000
                       Total CO2 (mol/kg)  =  0.000e+000
                      Temperature (deg C)  =  25.000
                  Electrical balance (eq)  = -9.919e-007
 Percent error, 100*(Cat-|An|)/(Cat+|An|)  = -98.02
                               Iterations  =   6
                                  Total H  = 1.110124e+002
                                  Total O  = 5.550624e+001

----------------------------Distribution of species----------------------------

	                                           Log       Log         Log 
	Species            Molality    Activity  Molality  Activity     Gamma

	OH-              1.002e-006  1.001e-006    -5.999    -6.000    -0.000
	H+               1.001e-008  1.000e-008    -8.000    -8.000    -0.000
	H2O              5.551e+001  1.000e+000     1.744    -0.000     0.000
H(0)            0.000e+000
	H2               0.000e+000  0.000e+000   -43.710   -43.710     0.000
O(0)            2.193e-005
	O2               1.096e-005  1.096e-005    -4.960    -4.960     0.000

------------------------------Saturation indices-------------------------------

	Phase               SI log IAP  log KT

	H2(g)           -40.56  -40.56    0.00  H2
	H2O(g)           -1.51   -0.00    1.51  H2O
	O2(g)            -2.00   81.12   83.12  O2

Initial solution 9.	

-----------------------------Solution composition------------------------------

	Elements           Molality       Moles

	Pure water
    
----------------------------Description of solution----------------------------

                                       pH  =   9.000    
                                       pe  =  11.280      Equilibrium with O2(g)
                        Activity of water  =   1.000
                           Ionic strength  =  5.019e-006
                       Mass of water (kg)  =  1.000e+000
                 Total alkalinity (eq/kg)  =  1.004e-005
                    Total carbon (mol/kg)  =  0.000e+000
                       Total CO2 (mol/kg)  =  0.000e+000
                      Temperature (deg C)  =  25.000
                  Electrical balance (eq)  = -1.004e-005
 Percent error, 100*(Cat-|An|)/(Cat+|An|)  = -99.98
                               Iterations  =   5
                                  Total H  = 1.110124e+002
                                  Total O  = 5.550625e+001

----------------------------Distribution of species----------------------------

	                                           Log       Log         Log 
	Species            Molality    Activity  Molality  Activity     Gamma

	OH-              1.004e-005  1.001e-005    -4.998    -5.000    -0.001
	H+               1.003e-009  1.000e-009    -8.999    -9.000    -0.001
	H2O              5.551e+001  1.000e+000     1.744    -0.000     0.000
H(0)            0.000e+000
	H2               0.000e+000  0.000e+000   -43.710   -43.710     0.000
O(0)            2.193e-005
	O2               1.096e-005  1.096e-005    -4.960    -4.960     0.000

------------------------------Saturation indices-------------------------------

	Phase               SI log IAP  log KT

	H2(g)           -40.56  -40.56    0.00  H2
	H2O(g)           -1.51   -0.00    1.51  H2O
	O2(g)            -2.00   81.12   83.12  O2

Initial solution 10.	

-----------------------------Solution composition------------------------------

	Elements           Molality       Moles

	Pure water
    
----------------------------Description of solution----------------------------

                                       pH  =  10.000    
                                       pe  =  10.280      Equilibrium with O2(g)
                        Activity of water  =   1.000
                           Ionic strength  =  5.047e-005
                       Mass of water (kg)  =  1.000e+000
                 Total alkalinity (eq/kg)  =  1.009e-004
                    Total carbon (mol/kg)  =  0.000e+000
                       Total CO2 (mol/kg)  =  0.000e+000
                      Temperature (deg C)  =  25.000
                  Electrical balance (eq)  = -1.009e-004
 Percent error, 100*(Cat-|An|)/(Cat+|An|)  = -100.00
                               Iterations  =   5
                                  Total H  = 1.110125e+002
                                  Total O  = 5.550634e+001

----------------------------Distribution of species----------------------------

	                                           Log       Log         Log 
	Species            Molality    Activity  Molality  Activity     Gamma

	OH-              1.009e-004  1.001e-004    -3.996    -4.000    -0.004
	H+               1.008e-010  1.000e-010    -9.996   -10.000    -0.004
	H2O              5.551e+001  1.000e+000     1.744    -0.000     0.000
H(0)            0.000e+000
	H2               0.000e+000  0.000e+000   -43.710   -43.710     0.000
O(0)            2.193e-005
	O2               1.096e-005  1.096e-005    -4.960    -4.960     0.000

------------------------------Saturation indices-------------------------------

	Phase               SI log IAP  log KT

	H2(g)           -40.56  -40.56    0.00  H2
	H2O(g)           -1.51   -0.00    1.51  H2O
	O2(g)            -2.00   81.12   83.12  O2

Initial solution 11.	

-----------------------------Solution composition------------------------------

	Elements           Molality       Moles

	Pure water
    
----------------------------Description of solution----------------------------

                                       pH  =  11.000    
                                       pe  =   9.280      Equilibrium with O2(g)
                        Activity of water  =   1.000
                           Ionic strength  =  5.137e-004
                       Mass of water (kg)  =  1.000e+000
                 Total alkalinity (eq/kg)  =  1.027e-003
                    Total carbon (mol/kg)  =  0.000e+000
                       Total CO2 (mol/kg)  =  0.000e+000
                      Temperature (deg C)  =  25.000
                  Electrical balance (eq)  = -1.027e-003
 Percent error, 100*(Cat-|An|)/(Cat+|An|)  = -100.00
                               Iterations  =   5
                                  Total H  = 1.110135e+002
                                  Total O  = 5.550727e+001

----------------------------Distribution of species----------------------------

	                                           Log       Log         Log 
	Species            Molality    Activity  Molality  Activity     Gamma

	OH-              1.027e-003  1.001e-003    -2.988    -3.000    -0.011
	H+               1.025e-011  1.000e-011   -10.989   -11.000    -0.011
	H2O              5.551e+001  1.000e+000     1.744    -0.000     0.000
H(0)            0.000e+000
	H2               0.000e+000  0.000e+000   -43.710   -43.710     0.000
O(0)            2.193e-005
	O2               1.096e-005  1.096e-005    -4.960    -4.960     0.000

------------------------------Saturation indices-------------------------------

	Phase               SI log IAP  log KT

	H2(g)           -40.56  -40.56    0.00  H2
	H2O(g)           -1.51   -0.00    1.51  H2O
	O2(g)            -2.00   81.12   83.12  O2

Initial solution 12.	

-----------------------------Solution composition------------------------------

	Elements           Molality       Moles

	Pure water
    
----------------------------Description of solution----------------------------

                                       pH  =  12.000    
                                       pe  =   8.280      Equilibrium with O2(g)
                        Activity of water  =   1.000
                           Ionic strength  =  5.419e-003
                       Mass of water (kg)  =  1.000e+000
                 Total alkalinity (eq/kg)  =  1.084e-002
                    Total carbon (mol/kg)  =  0.000e+000
                       Total CO2 (mol/kg)  =  0.000e+000
                      Temperature (deg C)  =  25.000
                  Electrical balance (eq)  = -1.084e-002
 Percent error, 100*(Cat-|An|)/(Cat+|An|)  = -100.00
                               Iterations  =   4
                                  Total H  = 1.110233e+002
                                  Total O  = 5.551708e+001

----------------------------Distribution of species----------------------------

	                                           Log       Log         Log 
	Species            Molality    Activity  Molality  Activity     Gamma

	OH-              1.084e-002  1.001e-002    -1.965    -2.000    -0.035
	H+               1.073e-012  1.000e-012   -11.969   -12.000    -0.031
	H2O              5.551e+001  9.998e-001     1.744    -0.000     0.000
H(0)            0.000e+000
	H2               0.000e+000  0.000e+000   -43.711   -43.710     0.001
O(0)            2.190e-005
	O2               1.095e-005  1.096e-005    -4.961    -4.960     0.001

------------------------------Saturation indices-------------------------------

	Phase               SI log IAP  log KT

	H2(g)           -40.56  -40.56    0.00  H2
	H2O(g)           -1.51   -0.00    1.51  H2O
	O2(g)            -2.00   81.12   83.12  O2

Initial solution 13.	

-----------------------------Solution composition------------------------------

	Elements           Molality       Moles

	Pure water
    
----------------------------Description of solution----------------------------

                                       pH  =  13.000    
                                       pe  =   7.280      Equilibrium with O2(g)
                        Activity of water  =   0.998
                           Ionic strength  =  6.274e-002
                       Mass of water (kg)  =  1.000e+000
                 Total alkalinity (eq/kg)  =  1.255e-001
                    Total carbon (mol/kg)  =  0.000e+000
                       Total CO2 (mol/kg)  =  0.000e+000
                      Temperature (deg C)  =  25.000
                  Electrical balance (eq)  = -1.255e-001
 Percent error, 100*(Cat-|An|)/(Cat+|An|)  = -100.00
                               Iterations  =   4
                                  Total H  = 1.111379e+002
                                  Total O  = 5.563173e+001

----------------------------Distribution of species----------------------------

	                                           Log       Log         Log 
	Species            Molality    Activity  Molality  Activity     Gamma

	OH-              1.255e-001  9.989e-002    -0.901    -1.000    -0.099
	H+               1.184e-013  1.000e-013   -12.927   -13.000    -0.073
	H2O              5.551e+001  9.979e-001     1.744    -0.001     0.000
H(0)            0.000e+000
	H2               0.000e+000  0.000e+000   -43.717   -43.711     0.006
O(0)            2.162e-005
	O2               1.081e-005  1.096e-005    -4.966    -4.960     0.006

------------------------------Saturation indices-------------------------------

	Phase               SI log IAP  log KT

	H2(g)           -40.56  -40.56    0.00  H2
	H2O(g)           -1.51   -0.00    1.51  H2O
	O2(g)            -2.00   81.12   83.12  O2

Initial solution 14.	

-----------------------------Solution composition------------------------------

	Elements           Molality       Moles

	Pure water
    
----------------------------Description of solution----------------------------

                                       pH  =  14.000    
                                       pe  =   6.286      Equilibrium with O2(g)
                        Activity of water  =   0.972
                           Ionic strength  =  8.187e-001
                       Mass of water (kg)  =  1.000e+000
                 Total alkalinity (eq/kg)  =  1.637e+000
                    Total carbon (mol/kg)  =  0.000e+000
                       Total CO2 (mol/kg)  =  0.000e+000
                      Temperature (deg C)  =  25.000
                  Electrical balance (eq)  = -1.637e+000
 Percent error, 100*(Cat-|An|)/(Cat+|An|)  = -100.00
                               Iterations  =   6
                                  Total H  = 1.126498e+002
                                  Total O  = 5.714356e+001

----------------------------Distribution of species----------------------------

	                                           Log       Log         Log 
	Species            Molality    Activity  Molality  Activity     Gamma

	OH-              1.637e+000  9.732e-001     0.214    -0.012    -0.226
	H+               1.335e-014  1.000e-014   -13.875   -14.000    -0.125
	H2O              5.551e+001  9.722e-001     1.744    -0.012     0.000
H(0)            0.000e+000
	H2               0.000e+000  0.000e+000   -43.804   -43.722     0.082
O(0)            1.816e-005
	O2               9.081e-006  1.096e-005    -5.042    -4.960     0.082

------------------------------Saturation indices-------------------------------

	Phase               SI log IAP  log KT

	H2(g)           -40.57  -40.57    0.00  H2
	H2O(g)           -1.52   -0.01    1.51  H2O
	O2(g)            -2.00   81.12   83.12  O2

------------------
End of simulation.
------------------

------------------------------------
Reading input data for simulation 5.
------------------------------------

	USER_PUNCH
		headings	pe_O2
	10 PUNCH -LA("e-")
	SOLUTION 0
		pH	0
		pe	4	O2(g) 0
	SOLUTION 1
		pH	1
		pe	4	O2(g) 0
	SOLUTION 2
		pH	2
		pe	4	O2(g) 0
	SOLUTION 3
		pH	3
		pe	4	O2(g) 0
	SOLUTION 4
		pH	4
		pe	4	O2(g) 0
	SOLUTION 5
		pH	5
		pe	4	O2(g) 0
	SOLUTION 6
		pH	6
		pe	4	O2(g) 0
	SOLUTION 7
		pH	7
		pe	4	O2(g) 0
	SOLUTION 8
		pH	8
		pe	4	O2(g) 0
	SOLUTION 9
		pH	9
		pe	4	O2(g) 0
	SOLUTION 10
		pH	10
		pe	4	O2(g) 0
	SOLUTION 11
		pH	11
		pe	4	O2(g) 0
	SOLUTION 12
		pH	12
		pe	4	O2(g) 0
	SOLUTION 13
		pH	13
		pe	4	O2(g) 0
	SOLUTION 14
		pH	14
		pe	4	O2(g) 0
	END
-------------------------------------------
Beginning of initial solution calculations.
-------------------------------------------

Initial solution 0.	

-----------------------------Solution composition------------------------------

	Elements           Molality       Moles

	Pure water
    
----------------------------Description of solution----------------------------

                                       pH  =   0.000    
                                       pe  =  20.785      Equilibrium with O2(g)
                        Activity of water  =   0.977
                           Ionic strength  =  6.618e-001
                       Mass of water (kg)  =  1.000e+000
                 Total alkalinity (eq/kg)  = -1.324e+000
                    Total carbon (mol/kg)  =  0.000e+000
                       Total CO2 (mol/kg)  =  0.000e+000
                      Temperature (deg C)  =  25.000
                  Electrical balance (eq)  =  1.324e+000
 Percent error, 100*(Cat-|An|)/(Cat+|An|)  = 100.00
                               Iterations  =   9
                                  Total H  = 1.123359e+002
                                  Total O  = 5.550810e+001

----------------------------Distribution of species----------------------------

	                                           Log       Log         Log 
	Species            Molality    Activity  Molality  Activity     Gamma

	H+               1.324e+000  1.000e+000     0.122     0.000    -0.122
	OH-              1.602e-014  9.785e-015   -13.795   -14.009    -0.214
	H2O              5.551e+001  9.775e-001     1.744    -0.010     0.000
H(0)            0.000e+000
	H2               0.000e+000  0.000e+000   -44.786   -44.720     0.066
O(0)            1.883e-003
	O2               9.415e-004  1.096e-003    -3.026    -2.960     0.066

------------------------------Saturation indices-------------------------------

	Phase               SI log IAP  log KT

	H2(g)           -41.57  -41.57    0.00  H2
	H2O(g)           -1.52   -0.01    1.51  H2O
	O2(g)            -0.00   83.12   83.12  O2

Initial solution 1.	

-----------------------------Solution composition------------------------------

	Elements           Molality       Moles

	Pure water
    
----------------------------Description of solution----------------------------

                                       pH  =   1.000    
                                       pe  =  19.780      Equilibrium with O2(g)
                        Activity of water  =   0.998
                           Ionic strength  =  5.902e-002
                       Mass of water (kg)  =  1.000e+000
                 Total alkalinity (eq/kg)  = -1.180e-001
                    Total carbon (mol/kg)  =  0.000e+000
                       Total CO2 (mol/kg)  =  0.000e+000
                      Temperature (deg C)  =  25.000
                  Electrical balance (eq)  =  1.180e-001
 Percent error, 100*(Cat-|An|)/(Cat+|An|)  = 100.00
                               Iterations  =   9
                                  Total H  = 1.111305e+002
                                  Total O  = 5.550838e+001

----------------------------Distribution of species----------------------------

	                                           Log       Log         Log 
	Species            Molality    Activity  Molality  Activity     Gamma

	H+               1.180e-001  1.000e-001    -0.928    -1.000    -0.072
	OH-              1.248e-013  9.991e-014   -12.904   -13.000    -0.097
	H2O              5.551e+001  9.980e-001     1.744    -0.001     0.000
H(0)            0.000e+000
	H2               0.000e+000  0.000e+000   -44.717   -44.711     0.006
O(0)            2.163e-003
	O2               1.082e-003  1.096e-003    -2.966    -2.960     0.006

------------------------------Saturation indices-------------------------------

	Phase               SI log IAP  log KT

	H2(g)           -41.56  -41.56    0.00  H2
	H2O(g)           -1.51   -0.00    1.51  H2O
	O2(g)            -0.00   83.12   83.12  O2

Initial solution 2.	

-----------------------------Solution composition------------------------------

	Elements           Molality       Moles

	Pure water
    
----------------------------Description of solution----------------------------

                                       pH  =   2.000    
                                       pe  =  18.780      Equilibrium with O2(g)
                        Activity of water  =   1.000
                           Ionic strength  =  5.366e-003
                       Mass of water (kg)  =  1.000e+000
                 Total alkalinity (eq/kg)  = -1.073e-002
                    Total carbon (mol/kg)  =  0.000e+000
                       Total CO2 (mol/kg)  =  0.000e+000
                      Temperature (deg C)  =  25.000
                  Electrical balance (eq)  =  1.073e-002
 Percent error, 100*(Cat-|An|)/(Cat+|An|)  = 100.00
                               Iterations  =   8
                                  Total H  = 1.110232e+002
                                  Total O  = 5.550841e+001

----------------------------Distribution of species----------------------------

	                                           Log       Log         Log 
	Species            Molality    Activity  Molality  Activity     Gamma

	H+               1.073e-002  1.000e-002    -1.969    -2.000    -0.031
	OH-              1.083e-012  1.001e-012   -11.965   -12.000    -0.034
	H2O              5.551e+001  9.998e-001     1.744    -0.000     0.000
H(0)            0.000e+000
	H2               0.000e+000  0.000e+000   -44.711   -44.710     0.001
O(0)            2.190e-003
	O2               1.095e-003  1.096e-003    -2.961    -2.960     0.001

------------------------------Saturation indices-------------------------------

	Phase               SI log IAP  log KT

	H2(g)           -41.56  -41.56    0.00  H2
	H2O(g)           -1.51   -0.00    1.51  H2O
	O2(g)            -0.00   83.12   83.12  O2

Initial solution 3.	

-----------------------------Solution composition------------------------------

	Elements           Molality       Moles

	Pure water
    
----------------------------Description of solution----------------------------

                                       pH  =   3.000    
                                       pe  =  17.780      Equilibrium with O2(g)
                        Activity of water  =   1.000
                           Ionic strength  =  5.126e-004
                       Mass of water (kg)  =  1.000e+000
                 Total alkalinity (eq/kg)  = -1.025e-003
                    Total carbon (mol/kg)  =  0.000e+000
                       Total CO2 (mol/kg)  =  0.000e+000
                      Temperature (deg C)  =  25.000
                  Electrical balance (eq)  =  1.025e-003
 Percent error, 100*(Cat-|An|)/(Cat+|An|)  = 100.00
                               Iterations  =   8
                                  Total H  = 1.110135e+002
                                  Total O  = 5.550841e+001

----------------------------Distribution of species----------------------------

	                                           Log       Log         Log 
	Species            Molality    Activity  Molality  Activity     Gamma

	H+               1.025e-003  1.000e-003    -2.989    -3.000    -0.011
	OH-              1.027e-011  1.001e-011   -10.988   -11.000    -0.011
	H2O              5.551e+001  1.000e+000     1.744    -0.000     0.000
H(0)            0.000e+000
	H2               0.000e+000  0.000e+000   -44.710   -44.710     0.000
O(0)            2.193e-003
	O2               1.096e-003  1.096e-003    -2.960    -2.960     0.000

------------------------------Saturation indices-------------------------------

	Phase               SI log IAP  log KT

	H2(g)           -41.56  -41.56    0.00  H2
	H2O(g)           -1.51   -0.00    1.51  H2O
	O2(g)            -0.00   83.12   83.12  O2

Initial solution 4.	

-----------------------------Solution composition------------------------------

	Elements           Molality       Moles

	Pure water
    
----------------------------Description of solution----------------------------

                                       pH  =   4.000    
                                       pe  =  16.780      Equilibrium with O2(g)
                        Activity of water  =   1.000
                           Ionic strength  =  5.041e-005
                       Mass of water (kg)  =  1.000e+000
                 Total alkalinity (eq/kg)  = -1.008e-004
                    Total carbon (mol/kg)  =  0.000e+000
                       Total CO2 (mol/kg)  =  0.000e+000
                      Temperature (deg C)  =  25.000
                  Electrical balance (eq)  =  1.008e-004
 Percent error, 100*(Cat-|An|)/(Cat+|An|)  = 100.00
                               Iterations  =   7
                                  Total H  = 1.110125e+002
                                  Total O  = 5.550841e+001

----------------------------Distribution of species----------------------------

	                                           Log       Log         Log 
	Species            Molality    Activity  Molality  Activity     Gamma

	H+               1.008e-004  1.000e-004    -3.996    -4.000    -0.004
	OH-              1.009e-010  1.001e-010    -9.996   -10.000    -0.004
	H2O              5.551e+001  1.000e+000     1.744    -0.000     0.000
H(0)            0.000e+000
	H2               0.000e+000  0.000e+000   -44.710   -44.710     0.000
O(0)            2.193e-003
	O2               1.096e-003  1.096e-003    -2.960    -2.960     0.000

------------------------------Saturation indices-------------------------------

	Phase               SI log IAP  log KT

	H2(g)           -41.56  -41.56    0.00  H2
	H2O(g)           -1.51   -0.00    1.51  H2O
	O2(g)            -0.00   83.12   83.12  O2

Initial solution 5.	

-----------------------------Solution composition------------------------------

	Elements           Molality       Moles

	Pure water
    
----------------------------Description of solution----------------------------

                                       pH  =   5.000    
                                       pe  =  15.780      Equilibrium with O2(g)
                        Activity of water  =   1.000
                           Ionic strength  =  5.014e-006
                       Mass of water (kg)  =  1.000e+000
                 Total alkalinity (eq/kg)  = -1.003e-005
                    Total carbon (mol/kg)  =  0.000e+000
                       Total CO2 (mol/kg)  =  0.000e+000
                      Temperature (deg C)  =  25.000
                  Electrical balance (eq)  =  1.003e-005
 Percent error, 100*(Cat-|An|)/(Cat+|An|)  =  99.98
                               Iterations  =   7
                                  Total H  = 1.110124e+002
                                  Total O  = 5.550841e+001

----------------------------Distribution of species----------------------------

	                                           Log       Log         Log 
	Species            Molality    Activity  Molality  Activity     Gamma

	H+               1.003e-005  1.000e-005    -4.999    -5.000    -0.001
	OH-              1.004e-009  1.001e-009    -8.998    -9.000    -0.001
	H2O              5.551e+001  1.000e+000     1.744    -0.000     0.000
H(0)            0.000e+000
	H2               0.000e+000  0.000e+000   -44.710   -44.710     0.000
O(0)            2.193e-003
	O2               1.096e-003  1.096e-003    -2.960    -2.960     0.000

------------------------------Saturation indices-------------------------------

	Phase               SI log IAP  log KT

	H2(g)           -41.56  -41.56    0.00  H2
	H2O(g)           -1.51   -0.00    1.51  H2O
	O2(g)            -0.00   83.12   83.12  O2

Initial solution 6.	

-----------------------------Solution composition------------------------------

	Elements           Molality       Moles

	Pure water
    
----------------------------Description of solution----------------------------

                                       pH  =   6.000    
                                       pe  =  14.780      Equilibrium with O2(g)
                        Activity of water  =   1.000
                           Ionic strength  =  5.054e-007
                       Mass of water (kg)  =  1.000e+000
                 Total alkalinity (eq/kg)  = -9.908e-007
                    Total carbon (mol/kg)  =  0.000e+000
                       Total CO2 (mol/kg)  =  0.000e+000
                      Temperature (deg C)  =  25.000
                  Electrical balance (eq)  =  9.908e-007
 Percent error, 100*(Cat-|An|)/(Cat+|An|)  =  98.02
                               Iterations  =   7
                                  Total H  = 1.110124e+002
                                  Total O  = 5.550841e+001

----------------------------Distribution of species----------------------------

	                                           Log       Log         Log 
	Species            Molality    Activity  Molality  Activity     Gamma

	H+               1.001e-006  1.000e-006    -6.000    -6.000    -0.000
	OH-              1.002e-008  1.001e-008    -7.999    -8.000    -0.000
	H2O              5.551e+001  1.000e+000     1.744    -0.000     0.000
H(0)            0.000e+000
	H2               0.000e+000  0.000e+000   -44.710   -44.710     0.000
O(0)            2.193e-003
	O2               1.096e-003  1.096e-003    -2.960    -2.960     0.000

------------------------------Saturation indices-------------------------------

	Phase               SI log IAP  log KT

	H2(g)           -41.56  -41.56    0.00  H2
	H2O(g)           -1.51   -0.00    1.51  H2O
	O2(g)            -0.00   83.12   83.12  O2

Initial solution 7.	

-----------------------------Solution composition------------------------------

	Elements           Molality       Moles

	Pure water
    
----------------------------Description of solution----------------------------

                                       pH  =   7.000    
                                       pe  =  13.780      Equilibrium with O2(g)
                        Activity of water  =   1.000
                           Ionic strength  =  1.001e-007
                       Mass of water (kg)  =  1.000e+000
                 Total alkalinity (eq/kg)  =  1.063e-010
                    Total carbon (mol/kg)  =  0.000e+000
                       Total CO2 (mol/kg)  =  0.000e+000
                      Temperature (deg C)  =  25.000
                  Electrical balance (eq)  = -1.063e-010
 Percent error, 100*(Cat-|An|)/(Cat+|An|)  =  -0.05
                               Iterations  =   6
                                  Total H  = 1.110124e+002
                                  Total O  = 5.550841e+001

----------------------------Distribution of species----------------------------

	                                           Log       Log         Log 
	Species            Molality    Activity  Molality  Activity     Gamma

	OH-              1.001e-007  1.001e-007    -6.999    -7.000    -0.000
	H+               1.000e-007  1.000e-007    -7.000    -7.000    -0.000
	H2O              5.551e+001  1.000e+000     1.744    -0.000     0.000
H(0)            0.000e+000
	H2               0.000e+000  0.000e+000   -44.710   -44.710     0.000
O(0)            2.193e-003
	O2               1.096e-003  1.096e-003    -2.960    -2.960     0.000

------------------------------Saturation indices-------------------------------

	Phase               SI log IAP  log KT

	H2(g)           -41.56  -41.56    0.00  H2
	H2O(g)           -1.51   -0.00    1.51  H2O
	O2(g)            -0.00   83.12   83.12  O2

Initial solution 8.	

-----------------------------Solution composition------------------------------

	Elements           Molality       Moles

	Pure water
    
----------------------------Description of solution----------------------------

                                       pH  =   8.000    
                                       pe  =  12.780      Equilibrium with O2(g)
                        Activity of water  =   1.000
                           Ionic strength  =  5.060e-007
                       Mass of water (kg)  =  1.000e+000
                 Total alkalinity (eq/kg)  =  9.919e-007
                    Total carbon (mol/kg)  =  0.000e+000
                       Total CO2 (mol/kg)  =  0.000e+000
                      Temperature (deg C)  =  25.000
                  Electrical balance (eq)  = -9.919e-007
 Percent error, 100*(Cat-|An|)/(Cat+|An|)  = -98.02
                               Iterations  =   6
                                  Total H  = 1.110124e+002
                                  Total O  = 5.550841e+001

----------------------------Distribution of species----------------------------

	                                           Log       Log         Log 
	Species            Molality    Activity  Molality  Activity     Gamma

	OH-              1.002e-006  1.001e-006    -5.999    -6.000    -0.000
	H+               1.001e-008  1.000e-008    -8.000    -8.000    -0.000
	H2O              5.551e+001  1.000e+000     1.744    -0.000     0.000
H(0)            0.000e+000
	H2               0.000e+000  0.000e+000   -44.710   -44.710     0.000
O(0)            2.193e-003
	O2               1.096e-003  1.096e-003    -2.960    -2.960     0.000

------------------------------Saturation indices-------------------------------

	Phase               SI log IAP  log KT

	H2(g)           -41.56  -41.56    0.00  H2
	H2O(g)           -1.51   -0.00    1.51  H2O
	O2(g)            -0.00   83.12   83.12  O2

Initial solution 9.	

-----------------------------Solution composition------------------------------

	Elements           Molality       Moles

	Pure water
    
----------------------------Description of solution----------------------------

                                       pH  =   9.000    
                                       pe  =  11.780      Equilibrium with O2(g)
                        Activity of water  =   1.000
                           Ionic strength  =  5.019e-006
                       Mass of water (kg)  =  1.000e+000
                 Total alkalinity (eq/kg)  =  1.004e-005
                    Total carbon (mol/kg)  =  0.000e+000
                       Total CO2 (mol/kg)  =  0.000e+000
                      Temperature (deg C)  =  25.000
                  Electrical balance (eq)  = -1.004e-005
 Percent error, 100*(Cat-|An|)/(Cat+|An|)  = -99.98
                               Iterations  =   5
                                  Total H  = 1.110124e+002
                                  Total O  = 5.550842e+001

----------------------------Distribution of species----------------------------

	                                           Log       Log         Log 
	Species            Molality    Activity  Molality  Activity     Gamma

	OH-              1.004e-005  1.001e-005    -4.998    -5.000    -0.001
	H+               1.003e-009  1.000e-009    -8.999    -9.000    -0.001
	H2O              5.551e+001  1.000e+000     1.744    -0.000     0.000
H(0)            0.000e+000
	H2               0.000e+000  0.000e+000   -44.710   -44.710     0.000
O(0)            2.193e-003
	O2               1.096e-003  1.096e-003    -2.960    -2.960     0.000

------------------------------Saturation indices-------------------------------

	Phase               SI log IAP  log KT

	H2(g)           -41.56  -41.56    0.00  H2
	H2O(g)           -1.51   -0.00    1.51  H2O
	O2(g)            -0.00   83.12   83.12  O2

Initial solution 10.	

-----------------------------Solution composition------------------------------

	Elements           Molality       Moles

	Pure water
    
----------------------------Description of solution----------------------------

                                       pH  =  10.000    
                                       pe  =  10.780      Equilibrium with O2(g)
                        Activity of water  =   1.000
                           Ionic strength  =  5.047e-005
                       Mass of water (kg)  =  1.000e+000
                 Total alkalinity (eq/kg)  =  1.009e-004
                    Total carbon (mol/kg)  =  0.000e+000
                       Total CO2 (mol/kg)  =  0.000e+000
                      Temperature (deg C)  =  25.000
                  Electrical balance (eq)  = -1.009e-004
 Percent error, 100*(Cat-|An|)/(Cat+|An|)  = -100.00
                               Iterations  =   5
                                  Total H  = 1.110125e+002
                                  Total O  = 5.550851e+001

----------------------------Distribution of species----------------------------

	                                           Log       Log         Log 
	Species            Molality    Activity  Molality  Activity     Gamma

	OH-              1.009e-004  1.001e-004    -3.996    -4.000    -0.004
	H+               1.008e-010  1.000e-010    -9.996   -10.000    -0.004
	H2O              5.551e+001  1.000e+000     1.744    -0.000     0.000
H(0)            0.000e+000
	H2               0.000e+000  0.000e+000   -44.710   -44.710     0.000
O(0)            2.193e-003
	O2               1.096e-003  1.096e-003    -2.960    -2.960     0.000

------------------------------Saturation indices-------------------------------

	Phase               SI log IAP  log KT

	H2(g)           -41.56  -41.56    0.00  H2
	H2O(g)           -1.51   -0.00    1.51  H2O
	O2(g)            -0.00   83.12   83.12  O2

Initial solution 11.	

-----------------------------Solution composition------------------------------

	Elements           Molality       Moles

	Pure water
    
----------------------------Description of solution----------------------------

                                       pH  =  11.000    
                                       pe  =   9.780      Equilibrium with O2(g)
                        Activity of water  =   1.000
                           Ionic strength  =  5.137e-004
                       Mass of water (kg)  =  1.000e+000
                 Total alkalinity (eq/kg)  =  1.027e-003
                    Total carbon (mol/kg)  =  0.000e+000
                       Total CO2 (mol/kg)  =  0.000e+000
                      Temperature (deg C)  =  25.000
                  Electrical balance (eq)  = -1.027e-003
 Percent error, 100*(Cat-|An|)/(Cat+|An|)  = -100.00
                               Iterations  =   5
                                  Total H  = 1.110135e+002
                                  Total O  = 5.550944e+001

----------------------------Distribution of species----------------------------

	                                           Log       Log         Log 
	Species            Molality    Activity  Molality  Activity     Gamma

	OH-              1.027e-003  1.001e-003    -2.988    -3.000    -0.011
	H+               1.025e-011  1.000e-011   -10.989   -11.000    -0.011
	H2O              5.551e+001  1.000e+000     1.744    -0.000     0.000
H(0)            0.000e+000
	H2               0.000e+000  0.000e+000   -44.710   -44.710     0.000
O(0)            2.193e-003
	O2               1.096e-003  1.096e-003    -2.960    -2.960     0.000

------------------------------Saturation indices-------------------------------

	Phase               SI log IAP  log KT

	H2(g)           -41.56  -41.56    0.00  H2
	H2O(g)           -1.51   -0.00    1.51  H2O
	O2(g)             0.00   83.12   83.12  O2

Initial solution 12.	

-----------------------------Solution composition------------------------------

	Elements           Molality       Moles

	Pure water
    
----------------------------Description of solution----------------------------

                                       pH  =  12.000    
                                       pe  =   8.780      Equilibrium with O2(g)
                        Activity of water  =   1.000
                           Ionic strength  =  5.419e-003
                       Mass of water (kg)  =  1.000e+000
                 Total alkalinity (eq/kg)  =  1.084e-002
                    Total carbon (mol/kg)  =  0.000e+000
                       Total CO2 (mol/kg)  =  0.000e+000
                      Temperature (deg C)  =  25.000
                  Electrical balance (eq)  = -1.084e-002
 Percent error, 100*(Cat-|An|)/(Cat+|An|)  = -100.00
                               Iterations  =   4
                                  Total H  = 1.110233e+002
                                  Total O  = 5.551924e+001

----------------------------Distribution of species----------------------------

	                                           Log       Log         Log 
	Species            Molality    Activity  Molality  Activity     Gamma

	OH-              1.084e-002  1.001e-002    -1.965    -2.000    -0.035
	H+               1.073e-012  1.000e-012   -11.969   -12.000    -0.031
	H2O              5.551e+001  9.998e-001     1.744    -0.000     0.000
H(0)            0.000e+000
	H2               0.000e+000  0.000e+000   -44.711   -44.710     0.001
O(0)            2.190e-003
	O2               1.095e-003  1.096e-003    -2.961    -2.960     0.001

------------------------------Saturation indices-------------------------------

	Phase               SI log IAP  log KT

	H2(g)           -41.56  -41.56    0.00  H2
	H2O(g)           -1.51   -0.00    1.51  H2O
	O2(g)             0.00   83.12   83.12  O2

Initial solution 13.	

-----------------------------Solution composition------------------------------

	Elements           Molality       Moles

	Pure water
    
----------------------------Description of solution----------------------------

                                       pH  =  13.000    
                                       pe  =   7.780      Equilibrium with O2(g)
                        Activity of water  =   0.998
                           Ionic strength  =  6.274e-002
                       Mass of water (kg)  =  1.000e+000
                 Total alkalinity (eq/kg)  =  1.255e-001
                    Total carbon (mol/kg)  =  0.000e+000
                       Total CO2 (mol/kg)  =  0.000e+000
                      Temperature (deg C)  =  25.000
                  Electrical balance (eq)  = -1.255e-001
 Percent error, 100*(Cat-|An|)/(Cat+|An|)  = -100.00
                               Iterations  =   5
                                  Total H  = 1.111379e+002
                                  Total O  = 5.563386e+001

----------------------------Distribution of species----------------------------

	                                           Log       Log         Log 
	Species            Molality    Activity  Molality  Activity     Gamma

	OH-              1.255e-001  9.989e-002    -0.901    -1.000    -0.099
	H+               1.184e-013  1.000e-013   -12.927   -13.000    -0.073
	H2O              5.551e+001  9.978e-001     1.744    -0.001     0.000
H(0)            0.000e+000
	H2               0.000e+000  0.000e+000   -44.717   -44.711     0.006
O(0)            2.162e-003
	O2               1.081e-003  1.096e-003    -2.966    -2.960     0.006

------------------------------Saturation indices-------------------------------

	Phase               SI log IAP  log KT

	H2(g)           -41.56  -41.56    0.00  H2
	H2O(g)           -1.51   -0.00    1.51  H2O
	O2(g)            -0.00   83.12   83.12  O2

Initial solution 14.	

-----------------------------Solution composition------------------------------

	Elements           Molality       Moles

	Pure water
    
----------------------------Description of solution----------------------------

                                       pH  =  14.000    
                                       pe  =   6.786      Equilibrium with O2(g)
                        Activity of water  =   0.972
                           Ionic strength  =  8.186e-001
                       Mass of water (kg)  =  1.000e+000
                 Total alkalinity (eq/kg)  =  1.637e+000
                    Total carbon (mol/kg)  =  0.000e+000
                       Total CO2 (mol/kg)  =  0.000e+000
                      Temperature (deg C)  =  25.000
                  Electrical balance (eq)  = -1.637e+000
 Percent error, 100*(Cat-|An|)/(Cat+|An|)  = -100.00
                               Iterations  =   6
                                  Total H  = 1.126497e+002
                                  Total O  = 5.714533e+001

----------------------------Distribution of species----------------------------

	                                           Log       Log         Log 
	Species            Molality    Activity  Molality  Activity     Gamma

	OH-              1.637e+000  9.732e-001     0.214    -0.012    -0.226
	H+               1.335e-014  1.000e-014   -13.875   -14.000    -0.125
	H2O              5.551e+001  9.722e-001     1.744    -0.012     0.000
H(0)            0.000e+000
	H2               0.000e+000  0.000e+000   -44.804   -44.722     0.082
O(0)            1.816e-003
	O2               9.081e-004  1.096e-003    -3.042    -2.960     0.082

------------------------------Saturation indices-------------------------------

	Phase               SI log IAP  log KT

	H2(g)           -41.57  -41.57    0.00  H2
	H2O(g)           -1.52   -0.01    1.51  H2O
	O2(g)            -0.00   83.12   83.12  O2

------------------
End of simulation.
------------------

------------------------------------
Reading input data for simulation 6.
------------------------------------

-----------
End of run.
-----------