Input file: H:\ntc\03\Tuesday\pyrite.ec.pqi
  Output file: H:\ntc\03\Tuesday\pyrite.ec.pqo
Database file: C:\Program Files\USGS\Phreeqc Interactive 2.6\wateq4f.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 2.6\wateq4f.dat
	SOLUTION 1
	END
-------------------------------------------
Beginning of initial solution calculations.
-------------------------------------------

Initial solution 1.	

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

	Elements           Molality       Moles

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

                                       pH  =   7.000    
                                       pe  =   4.000    
                        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  =   0
                                  Total H  = 1.110124e+002
                                  Total O  = 5.550622e+001

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

	                                           Log       Log         Log 
	Species            Molality    Activity  Molality  Activity     Gamma

	OH-              1.002e-007  1.001e-007    -6.999    -6.999    -0.000
	H+               1.001e-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-025
	H2               7.079e-026  7.079e-026   -25.150   -25.150     0.000
O(0)            0.000e+000
	O2               0.000e+000  0.000e+000   -42.080   -42.080     0.000

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

	Phase               SI log IAP  log KT

	H2(g)           -22.00  -22.00    0.00  H2
	H2O(g)           -1.51    0.00    1.51  H2O
	O2(g)           -39.12   44.00   83.12  O2

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

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

	USE solution 1
	REACTION 1
		Pyrite	1 
		20 mmol
	EQUILIBRIUM_PHASES 1
		O2(g)	-0.7
		Goethite	0.0	0.0
	SAVE solution 2
	END
-----------------------------------------
Beginning of batch-reaction calculations.
-----------------------------------------

Reaction step 1.

Using solution 1.	
Using pure phase assemblage 1.	
Using reaction 1.	

Reaction 1.	Irreversible reaction defined in simulation 2.

	 2.000e-002 moles of the following reaction have been added:

	                 Relative
	Reactant            moles

	Pyrite               1.00

	                 Relative
	Element             moles
	Fe                   1.00
	S                    2.00

-------------------------------Phase assemblage--------------------------------

                                                     Moles in assemblage
	Phase               SI log IAP  log KT    Initial      Final      Delta

	Goethite          0.00   12.02   12.02 0.000e+000 1.920e-002 1.920e-002
	O2(g)            -0.70   82.42   83.12 1.000e+001 9.925e+000-7.522e-002

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

	Elements           Molality       Moles

	Fe               7.971e-004  7.964e-004
	S                4.003e-002  4.000e-002

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

                                       pH  =   1.370      Charge balance
                                       pe  =  19.235      Adjusted to redox equilibrium
                        Activity of water  =   0.998
                           Ionic strength  =  6.403e-002
                       Mass of water (kg)  =  9.991e-001
                 Total alkalinity (eq/kg)  = -7.927e-002
                    Total carbon (mol/kg)  =  0.000e+000
                       Total CO2 (mol/kg)  =  0.000e+000
                      Temperature (deg C)  =  25.000
                  Electrical balance (eq)  =  7.625e-011
 Percent error, 100*(Cat-|An|)/(Cat+|An|)  =   0.00
                               Iterations  =  15
                                  Total H  = 1.109932e+002
                                  Total O  = 5.561824e+001

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

	                                           Log       Log         Log 
	Species            Molality    Activity  Molality  Activity     Gamma

	H+               5.056e-002  4.266e-002    -1.296    -1.370    -0.074
	OH-              2.903e-013  2.343e-013   -12.537   -12.630    -0.093
	H2O              5.551e+001  9.985e-001     1.744    -0.001     0.000
Fe(2)           1.709e-011
	Fe+2             1.118e-011  4.743e-012   -10.952   -11.324    -0.372
	FeSO4            4.367e-012  4.432e-012   -11.360   -11.353     0.006
	FeHSO4+          1.540e-012  1.243e-012   -11.812   -11.906    -0.093
	FeOH+            4.350e-020  3.511e-020   -19.362   -19.455    -0.093
	Fe(OH)2          6.891e-030  6.993e-030   -29.162   -29.155     0.006
	Fe(OH)3-         7.534e-039  6.081e-039   -38.123   -38.216    -0.093
	Fe(HS)2          0.000e+000  0.000e+000  -271.955  -271.948     0.006
	Fe(HS)3-         0.000e+000  0.000e+000  -404.605  -404.698    -0.093
Fe(3)           7.971e-004
	FeSO4+           5.560e-004  4.487e-004    -3.255    -3.348    -0.093
	FeHSO4+2         1.208e-004  5.126e-005    -3.918    -4.290    -0.372
	Fe(SO4)2-        6.392e-005  5.159e-005    -4.194    -4.287    -0.093
	Fe+3             5.359e-005  7.789e-006    -4.271    -5.109    -0.838
	FeOH+2           2.773e-006  1.177e-006    -5.557    -5.929    -0.372
	Fe(OH)2+         1.130e-008  9.121e-009    -7.947    -8.040    -0.093
	Fe2(OH)2+4       1.150e-009  3.728e-011    -8.939   -10.428    -1.489
	Fe(OH)3          2.710e-014  2.750e-014   -13.567   -13.561     0.006
	Fe3(OH)4+5       1.507e-014  7.105e-017   -13.822   -16.148    -2.327
	Fe(OH)4-         7.273e-022  5.870e-022   -21.138   -21.231    -0.093
H(0)            0.000e+000
	H2               0.000e+000  0.000e+000   -44.367   -44.361     0.006
O(0)            4.311e-004
	O2               2.156e-004  2.188e-004    -3.666    -3.660     0.006
S(-2)           0.000e+000
	H2S              0.000e+000  0.000e+000  -129.222  -129.215     0.006
	HS-              0.000e+000  0.000e+000  -134.694  -134.787    -0.093
	S5-2             0.000e+000  0.000e+000  -142.754  -143.012    -0.258
	S4-2             0.000e+000  0.000e+000  -142.965  -143.246    -0.282
	S6-2             0.000e+000  0.000e+000  -143.060  -143.298    -0.238
	S-2              0.000e+000  0.000e+000  -145.963  -146.335    -0.372
	S3-2             0.000e+000  0.000e+000  -146.389  -146.699    -0.310
	S2-2             0.000e+000  0.000e+000  -147.610  -147.945    -0.335
	Fe(HS)2          0.000e+000  0.000e+000  -271.955  -271.948     0.006
	Fe(HS)3-         0.000e+000  0.000e+000  -404.605  -404.698    -0.093
S(6)            4.003e-002
	HSO4-            2.700e-002  2.179e-002    -1.569    -1.662    -0.093
	SO4-2            1.223e-002  5.255e-003    -1.913    -2.279    -0.367
	FeSO4+           5.560e-004  4.487e-004    -3.255    -3.348    -0.093
	FeHSO4+2         1.208e-004  5.126e-005    -3.918    -4.290    -0.372
	Fe(SO4)2-        6.392e-005  5.159e-005    -4.194    -4.287    -0.093
	FeSO4            4.367e-012  4.432e-012   -11.360   -11.353     0.006
	FeHSO4+          1.540e-012  1.243e-012   -11.812   -11.906    -0.093

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

	Phase               SI log IAP  log KT

	Fe(OH)3(a)       -5.89   12.02   17.91  Fe(OH)3
	Fe3(OH)8        -30.81   15.45   46.26  Fe3(OH)8
	FeS(ppt)       -140.83 -178.44  -37.62  FeS
	Goethite          0.00   12.02   12.02  FeOOH
	Greigite       -510.17 -663.98 -153.80  Fe3S4
	H2(g)           -41.21  -41.21    0.00  H2
	H2O(g)           -1.51   -0.00    1.51  H2O
	H2S(g)         -128.22 -169.86  -41.64  H2S
	Hematite          2.01   24.04   22.03  Fe2O3
	JarositeH        -7.65   26.02   33.67  (H3O)Fe3(SO4)2(OH)6
	Mackinawite    -140.09 -178.44  -38.35  FeS
	Maghemite        -8.39   24.04   32.43  Fe2O3
	Magnetite       -14.32   15.46   29.78  Fe3O4
	Melanterite     -11.40  -13.61   -2.21  FeSO4:7H2O
	O2(g)            -0.70   82.42   83.12  O2
	Pyrite         -221.21 -307.09  -85.88  FeS2
	Sulfur          -92.84 -128.65  -35.81  S

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

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

	USE solution 2
	EQUILIBRIUM_PHASES 2
		O2(g)	-0.7
		Goethite	0.0	0.0
		Calcite
	END
-----------------------------------------
Beginning of batch-reaction calculations.
-----------------------------------------

Reaction step 1.

Using solution 2.	Solution after simulation 2.
Using pure phase assemblage 2.	

-------------------------------Phase assemblage--------------------------------

                                                     Moles in assemblage
	Phase               SI log IAP  log KT    Initial      Final      Delta

	Calcite           0.00   -8.48   -8.48 1.000e+001 9.953e+000-4.720e-002
	Goethite          0.00   12.02   12.02 0.000e+000 7.964e-004 7.964e-004
	O2(g)            -0.70   82.42   83.12 1.000e+001 1.000e+001 2.102e-006

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

	Elements           Molality       Moles

	C                4.721e-002  4.720e-002
	Ca               4.721e-002  4.720e-002
	Fe               4.462e-013  4.460e-013
	S                4.001e-002  4.000e-002

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

                                       pH  =   5.821      Charge balance
                                       pe  =  14.784      Adjusted to redox equilibrium
                        Activity of water  =   0.998
                           Ionic strength  =  1.091e-001
                       Mass of water (kg)  =  9.997e-001
                 Total alkalinity (eq/kg)  =  1.440e-002
                       Total CO2 (mol/kg)  =  4.721e-002
                      Temperature (deg C)  =  25.000
                  Electrical balance (eq)  =  7.178e-011
 Percent error, 100*(Cat-|An|)/(Cat+|An|)  =   0.00
                               Iterations  =  20
                                  Total H  = 1.109924e+002
                                  Total O  = 5.575824e+001

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

	                                           Log       Log         Log 
	Species            Molality    Activity  Molality  Activity     Gamma

	H+               1.835e-006  1.508e-006    -5.736    -5.821    -0.085
	OH-              8.528e-009  6.623e-009    -8.069    -8.179    -0.110
	H2O              5.551e+001  9.980e-001     1.744    -0.001     0.000
C(-4)           0.000e+000
	CH4              0.000e+000  0.000e+000  -141.935  -141.924     0.011
C(4)            4.721e-002
	CO2              3.281e-002  3.365e-002    -1.484    -1.473     0.011
	HCO3-            1.264e-002  9.902e-003    -1.898    -2.004    -0.106
	CaHCO3+          1.750e-003  1.359e-003    -2.757    -2.867    -0.110
	CaCO3            5.412e-006  5.550e-006    -5.267    -5.256     0.011
	CO3-2            8.179e-007  3.078e-007    -6.087    -6.512    -0.424
	FeHCO3+          7.566e-021  5.876e-021   -20.121   -20.231    -0.110
	FeCO3            4.273e-023  4.382e-023   -22.369   -22.358     0.011
Ca              4.721e-002
	Ca+2             2.819e-002  1.076e-002    -1.550    -1.968    -0.418
	CaSO4            1.727e-002  1.770e-002    -1.763    -1.752     0.011
	CaHCO3+          1.750e-003  1.359e-003    -2.757    -2.867    -0.110
	CaCO3            5.412e-006  5.550e-006    -5.267    -5.256     0.011
	CaHSO4+          2.014e-007  1.565e-007    -6.696    -6.806    -0.110
	CaOH+            1.521e-009  1.182e-009    -8.818    -8.928    -0.110
Fe(2)           3.241e-020
	Fe+2             1.631e-020  5.934e-021   -19.788   -20.227    -0.439
	FeSO4            8.486e-021  8.701e-021   -20.071   -20.060     0.011
	FeHCO3+          7.566e-021  5.876e-021   -20.121   -20.231    -0.110
	FeCO3            4.273e-023  4.382e-023   -22.369   -22.358     0.011
	FeOH+            1.599e-024  1.242e-024   -23.796   -23.906    -0.110
	FeHSO4+          1.111e-025  8.628e-026   -24.954   -25.064    -0.110
	Fe(OH)2          6.818e-030  6.992e-030   -29.166   -29.155     0.011
	Fe(OH)3-         2.213e-034  1.719e-034   -33.655   -33.765    -0.110
	Fe(HS)2          0.000e+000  0.000e+000  -289.373  -289.362     0.011
	Fe(HS)3-         0.000e+000  0.000e+000  -426.259  -426.368    -0.110
Fe(3)           4.462e-013
	Fe(OH)2+         4.153e-013  3.225e-013   -12.382   -12.491    -0.110
	Fe(OH)3          2.681e-014  2.749e-014   -13.572   -13.561     0.011
	FeOH+2           4.046e-015  1.472e-015   -14.393   -14.832    -0.439
	FeSO4+           4.012e-017  3.116e-017   -16.397   -16.506    -0.110
	Fe(OH)4-         2.136e-017  1.659e-017   -16.670   -16.780    -0.110
	Fe(SO4)2-        7.237e-018  5.621e-018   -17.140   -17.250    -0.110
	Fe+3             3.352e-018  3.446e-019   -17.475   -18.463    -0.988
	FeHSO4+2         3.459e-022  1.259e-022   -21.461   -21.900    -0.439
	Fe2(OH)2+4       3.329e-027  5.832e-029   -26.478   -28.234    -1.756
	Fe3(OH)4+5       2.182e-036  3.930e-039   -35.661   -38.406    -2.744
H(0)            0.000e+000
	H2               0.000e+000  0.000e+000   -44.372   -44.361     0.011
O(0)            4.267e-004
	O2               2.133e-004  2.188e-004    -3.671    -3.660     0.011
S(-2)           0.000e+000
	H2S              0.000e+000  0.000e+000  -137.934  -137.923     0.011
	HS-              0.000e+000  0.000e+000  -138.933  -139.043    -0.110
	S5-2             0.000e+000  0.000e+000  -142.524  -142.816    -0.292
	S4-2             0.000e+000  0.000e+000  -142.728  -143.050    -0.323
	S6-2             0.000e+000  0.000e+000  -142.835  -143.102    -0.267
	S-2              0.000e+000  0.000e+000  -145.700  -146.139    -0.439
	S3-2             0.000e+000  0.000e+000  -146.143  -146.503    -0.360
	S2-2             0.000e+000  0.000e+000  -147.355  -147.749    -0.395
	Fe(HS)2          0.000e+000  0.000e+000  -289.373  -289.362     0.011
	Fe(HS)3-         0.000e+000  0.000e+000  -426.259  -426.368    -0.110
S(6)            4.001e-002
	SO4-2            2.275e-002  8.246e-003    -1.643    -2.084    -0.441
	CaSO4            1.727e-002  1.770e-002    -1.763    -1.752     0.011
	HSO4-            1.557e-006  1.209e-006    -5.808    -5.917    -0.110
	CaHSO4+          2.014e-007  1.565e-007    -6.696    -6.806    -0.110
	FeSO4+           4.012e-017  3.116e-017   -16.397   -16.506    -0.110
	Fe(SO4)2-        7.237e-018  5.621e-018   -17.140   -17.250    -0.110
	FeSO4            8.486e-021  8.701e-021   -20.071   -20.060     0.011
	FeHSO4+2         3.459e-022  1.259e-022   -21.461   -21.900    -0.439
	FeHSO4+          1.111e-025  8.628e-026   -24.954   -25.064    -0.110

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

	Phase               SI log IAP  log KT

	Anhydrite         0.31   -4.05   -4.36  CaSO4
	Aragonite        -0.14   -8.48   -8.34  CaCO3
	Calcite           0.00   -8.48   -8.48  CaCO3
	CH4(g)         -139.06 -183.00  -43.93  CH4
	CO2(g)           -0.01  -18.15  -18.15  CO2
	Fe(OH)3(a)       -5.89   12.02   17.91  Fe(OH)3
	Fe3(OH)8        -30.81   15.45   46.26  Fe3(OH)8
	FeS(ppt)       -149.53 -187.15  -37.62  FeS
	Goethite          0.00   12.02   12.02  FeOOH
	Greigite       -545.00 -698.81 -153.80  Fe3S4
	Gypsum            0.53   -4.05   -4.58  CaSO4:2H2O
	H2(g)           -41.21  -41.21    0.00  H2
	H2O(g)           -1.51   -0.00    1.51  H2O
	H2S(g)         -136.93 -178.57  -41.64  H2S
	Hematite          2.01   24.04   22.03  Fe2O3
	JarositeH       -25.06    8.61   33.67  (H3O)Fe3(SO4)2(OH)6
	Mackinawite    -148.80 -187.15  -38.35  FeS
	Maghemite        -8.39   24.04   32.43  Fe2O3
	Magnetite       -14.32   15.46   29.78  Fe3O4
	Melanterite     -20.11  -22.32   -2.21  FeSO4:7H2O
	O2(g)            -0.70   82.42   83.12  O2
	Portlandite     -13.13    9.67   22.80  Ca(OH)2
	Pyrite         -238.62 -324.51  -85.88  FeS2
	Siderite        -15.85  -26.74  -10.89  FeCO3
	Siderite(d)(3)  -16.29  -26.74  -10.45  FeCO3
	Sulfur         -101.55 -137.36  -35.81  S

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

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

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