------------------
Reading data base.
------------------

	SOLUTION_MASTER_SPECIES
	SOLUTION_SPECIES
	PHASES
	EXCHANGE_MASTER_SPECIES
	EXCHANGE_SPECIES
	SURFACE_MASTER_SPECIES
	SURFACE_SPECIES
	END
------------------------------------
Reading input data for simulation 1.
------------------------------------

	SURFACE_MASTER_SPECIES
	        Surf    SurfOH
	SURFACE_SPECIES
	        SurfOH = SurfOH
	                log_k   0.0
	        SurfOH  + H+ = SurfOH2+
	                log_k   7.29
	        SurfOH = SurfO- + H+
	                log_k   -8.93
	        SurfOH + AsO4-3 + 3H+ = SurfH2AsO4 + H2O
	                log_k   29.31
	        SurfOH + AsO4-3 + 2H+ = SurfHAsO4- + H2O
	                log_k   23.51
	        SurfOH + AsO4-3 = SurfOHAsO4-3
	                log_k   9.58
	SOLUTION_MASTER_SPECIES
	        As       H3AsO4        -1.0     74.9216         74.9216
	SOLUTION_SPECIES
	        H2O + 0.01e- = H2O.99
	        log_k   -10
	        no_check
	        H3AsO4 = H3AsO4
	        log_k           0.0
	        H3AsO4 = H2AsO4- + H+ 
	        log_k           -2.243
	        delta_h -1.69 kcal
	        H3AsO4 = HAsO4-2 + 2H+ 
	        log_k           -9.001
	        delta_h -0.92 kcal
	        H3AsO4 = AsO4-3 + 3H+
	        log_k           -20.597
	        delta_h 3.43 kcal
	SOLUTION 1 20 x precipitation
	        pH      4.6
	        pe      4.0     O2(g)   -0.7
	        temp    25.
	        units   mmol/kgw
	        Ca      .191625
	        Mg      .035797
	        Na      .122668
	        Cl      .133704
	        C       .01096
	        S       .235153         charge
	END
-------------------------------------------
Beginning of initial solution calculations.
-------------------------------------------

Initial solution 1.	20 x precipitation

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

	Elements           Molality       Moles

	C                 1.096e-05   1.096e-05
	Ca                1.916e-04   1.916e-04
	Cl                1.337e-04   1.337e-04
	Mg                3.580e-05   3.580e-05
	Na                1.227e-04   1.227e-04
	S                 2.351e-04   2.351e-04  Charge balance

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

                                       pH  =   4.600    
                                       pe  =  16.005      Equilibrium with O2(g)
                        Activity of water  =   1.000
                           Ionic strength  =   1.035e-03
                       Mass of water (kg)  =   1.000e+00
                 Total alkalinity (eq/kg)  =  -2.630e-05
                       Total CO2 (mol/kg)  =   1.096e-05
                      Temperature (deg C)  =  25.000
                  Electrical balance (eq)  =   7.107e-16
 Percent error, 100*(Cat-|An|)/(Cat+|An|)  =   0.00
                               Iterations  =   9
                                  Total H  = 1.110125e+02
                                  Total O  = 5.550762e+01

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

	                                           Log       Log         Log 
	Species            Molality    Activity  Molality  Activity     Gamma

	H+                2.600e-05   2.512e-05    -4.585    -4.600    -0.015
	OH-               4.133e-10   3.985e-10    -9.384    -9.400    -0.016
	H2O.99            6.916e-11   6.917e-11   -10.160   -10.160     0.000
	H2O               5.551e+01   1.000e-00     1.744    -0.000     0.000
C(-4)            0.000e+00
	CH4               0.000e+00   0.000e+00  -145.418  -145.418     0.000
C(4)             1.096e-05
	CO2               1.076e-05   1.076e-05    -4.968    -4.968     0.000
	HCO3-             1.975e-07   1.906e-07    -6.704    -6.720    -0.015
	CaHCO3+           4.048e-10   3.907e-10    -9.393    -9.408    -0.015
	MgHCO3+           6.905e-11   6.660e-11   -10.161   -10.177    -0.016
	NaHCO3            1.267e-11   1.267e-11   -10.897   -10.897     0.000
	CO3-2             4.105e-13   3.559e-13   -12.387   -12.449    -0.062
	CaCO3             9.601e-14   9.603e-14   -13.018   -13.018     0.000
	MgCO3             1.014e-14   1.014e-14   -13.994   -13.994     0.000
	NaCO3-            8.122e-16   7.833e-16   -15.090   -15.106    -0.016
Ca               1.916e-04
	Ca+2              1.853e-04   1.606e-04    -3.732    -3.794    -0.062
	CaSO4             6.296e-06   6.297e-06    -5.201    -5.201     0.000
	CaHSO4+           9.608e-10   9.267e-10    -9.017    -9.033    -0.016
	CaHCO3+           4.048e-10   3.907e-10    -9.393    -9.408    -0.015
	CaOH+             1.100e-12   1.061e-12   -11.958   -11.974    -0.016
	CaCO3             9.601e-14   9.603e-14   -13.018   -13.018     0.000
Cl               1.337e-04
	Cl-               1.337e-04   1.289e-04    -3.874    -3.890    -0.016
H(0)             0.000e+00
	H2                0.000e+00   0.000e+00   -44.360   -44.360     0.000
Mg               3.580e-05
	Mg+2              3.442e-05   2.986e-05    -4.463    -4.525    -0.062
	MgSO4             1.375e-06   1.375e-06    -5.862    -5.862     0.000
	MgHCO3+           6.905e-11   6.660e-11   -10.161   -10.177    -0.016
	MgOH+             4.475e-12   4.316e-12   -11.349   -11.365    -0.016
	MgCO3             1.014e-14   1.014e-14   -13.994   -13.994     0.000
Na               1.227e-04
	Na+               1.225e-04   1.182e-04    -3.912    -3.927    -0.016
	NaSO4-            1.207e-07   1.164e-07    -6.918    -6.934    -0.016
	NaHCO3            1.267e-11   1.267e-11   -10.897   -10.897     0.000
	NaOH              3.109e-14   3.109e-14   -13.507   -13.507     0.000
	NaCO3-            8.122e-16   7.833e-16   -15.090   -15.106    -0.016
O(0)             4.374e-04
	O2                2.187e-04   2.188e-04    -3.660    -3.660     0.000
S(-2)            0.000e+00
	H2S               0.000e+00   0.000e+00  -137.155  -137.155     0.000
	HS-               0.000e+00   0.000e+00  -139.481  -139.497    -0.016
	S-2               0.000e+00   0.000e+00  -147.752  -147.815    -0.062
S(6)             2.351e-04
	SO4-2             2.268e-04   1.965e-04    -3.644    -3.707    -0.062
	CaSO4             6.296e-06   6.297e-06    -5.201    -5.201     0.000
	MgSO4             1.375e-06   1.375e-06    -5.862    -5.862     0.000
	HSO4-             4.975e-07   4.798e-07    -6.303    -6.319    -0.016
	NaSO4-            1.207e-07   1.164e-07    -6.918    -6.934    -0.016
	CaHSO4+           9.608e-10   9.267e-10    -9.017    -9.033    -0.016

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

	Phase               SI log IAP  log KT

	Anhydrite        -3.14   -7.50   -4.36  CaSO4
	Aragonite        -7.91  -16.24   -8.34  CaCO3
	Calcite          -7.76  -16.24   -8.48  CaCO3
	CH4(g)         -142.56 -186.49  -43.93  CH4
	CO2(g)           -3.50  -21.65  -18.15  CO2
	Dolomite        -16.13  -33.22  -17.09  CaMg(CO3)2
	Gypsum           -2.92   -7.50   -4.58  CaSO4:2H2O
	H2(g)           -41.21  -41.21    0.00  H2
	H2S(g)         -136.16 -177.75  -41.59  H2S
	O2(g)            -0.70   82.42   83.12  O2
	Sulfur         -100.83 -136.54  -35.71  S

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

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

	USE solution 1
	EQUILIBRIUM_PHASES 1
	        Dolomite        0.0     2.7
	        Calcite         0.0     1.0
	        CO2(g)          -1.5    100.
	SAVE solution 1
	END
-----------------------------------------
Beginning of batch-reaction calculations.
-----------------------------------------

Reaction step 1.

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

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

	Calcite           0.00   -8.48   -8.48  1.000e+00  9.997e-01 -3.441e-04
	CO2(g)           -1.50  -19.65  -18.15  1.000e+02  1.000e+02 -4.066e-03
	Dolomite          0.00  -17.09  -17.09  2.700e+00  2.699e+00 -1.349e-03

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

	Elements           Molality       Moles

	C                 7.119e-03   7.119e-03
	Ca                1.885e-03   1.884e-03
	Cl                1.337e-04   1.337e-04
	Mg                1.385e-03   1.385e-03
	Na                1.227e-04   1.227e-04
	S                 2.351e-04   2.351e-04

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

                                       pH  =   7.047      Charge balance
                                       pe  =  13.558      Adjusted to redox equilibrium
                        Activity of water  =   1.000
                           Ionic strength  =   9.629e-03
                       Mass of water (kg)  =   9.999e-01
                 Total alkalinity (eq/kg)  =   6.057e-03
                       Total CO2 (mol/kg)  =   7.119e-03
                      Temperature (deg C)  =  25.000
                  Electrical balance (eq)  =   1.998e-15
 Percent error, 100*(Cat-|An|)/(Cat+|An|)  =   0.00
                               Iterations  =  14
                                  Total H  = 1.110125e+02
                                  Total O  = 5.552487e+01

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

	                                           Log       Log         Log 
	Species            Molality    Activity  Molality  Activity     Gamma

	OH-               1.236e-07   1.115e-07    -6.908    -6.953    -0.045
	H+                9.814e-08   8.977e-08    -7.008    -7.047    -0.039
	H2O.99            7.301e-11   7.317e-11   -10.137   -10.136     0.001
	H2O               5.551e+01   9.998e-01     1.744    -0.000     0.000
C(-4)            0.000e+00
	CH4               0.000e+00   0.000e+00  -143.421  -143.420     0.001
C(4)             7.119e-03
	HCO3-             5.883e-03   5.333e-03    -2.230    -2.273    -0.043
	CO2               1.074e-03   1.077e-03    -2.969    -2.968     0.001
	CaHCO3+           8.923e-05   8.090e-05    -4.049    -4.092    -0.043
	MgHCO3+           6.082e-05   5.496e-05    -4.216    -4.260    -0.044
	CaCO3             5.553e-06   5.565e-06    -5.256    -5.255     0.001
	CO3-2             4.124e-06   2.786e-06    -5.385    -5.555    -0.170
	MgCO3             2.336e-06   2.341e-06    -5.631    -5.631     0.001
	NaHCO3            3.310e-07   3.317e-07    -6.480    -6.479     0.001
	NaCO3-            6.350e-09   5.738e-09    -8.197    -8.241    -0.044
Ca               1.885e-03
	Ca+2              1.761e-03   1.189e-03    -2.754    -2.925    -0.171
	CaHCO3+           8.923e-05   8.090e-05    -4.049    -4.092    -0.043
	CaSO4             2.881e-05   2.888e-05    -4.540    -4.539     0.001
	CaCO3             5.553e-06   5.565e-06    -5.256    -5.255     0.001
	CaOH+             2.432e-09   2.198e-09    -8.614    -8.658    -0.044
	CaHSO4+           1.681e-11   1.519e-11   -10.775   -10.819    -0.044
Cl               1.337e-04
	Cl-               1.337e-04   1.206e-04    -3.874    -3.919    -0.045
H(0)             0.000e+00
	H2                0.000e+00   0.000e+00   -44.361   -44.361     0.001
Mg               1.385e-03
	Mg+2              1.296e-03   8.807e-04    -2.887    -3.055    -0.168
	MgHCO3+           6.082e-05   5.496e-05    -4.216    -4.260    -0.044
	MgSO4             2.507e-05   2.513e-05    -4.601    -4.600     0.001
	MgCO3             2.336e-06   2.341e-06    -5.631    -5.631     0.001
	MgOH+             3.941e-08   3.561e-08    -7.404    -7.448    -0.044
Na               1.227e-04
	Na+               1.223e-04   1.106e-04    -3.913    -3.956    -0.044
	NaHCO3            3.310e-07   3.317e-07    -6.480    -6.479     0.001
	NaSO4-            7.467e-08   6.747e-08    -7.127    -7.171    -0.044
	NaCO3-            6.350e-09   5.738e-09    -8.197    -8.241    -0.044
	NaOH              8.120e-12   8.138e-12   -11.090   -11.089     0.001
O(0)             4.375e-04
	O2                2.187e-04   2.192e-04    -3.660    -3.659     0.001
S(-2)            0.000e+00
	HS-               0.000e+00   0.000e+00  -142.108  -142.153    -0.045
	H2S               0.000e+00   0.000e+00  -142.259  -142.258     0.001
	S-2               0.000e+00   0.000e+00  -147.852  -148.024    -0.172
S(6)             2.351e-04
	SO4-2             1.811e-04   1.217e-04    -3.742    -3.915    -0.173
	CaSO4             2.881e-05   2.888e-05    -4.540    -4.539     0.001
	MgSO4             2.507e-05   2.513e-05    -4.601    -4.600     0.001
	NaSO4-            7.467e-08   6.747e-08    -7.127    -7.171    -0.044
	HSO4-             1.176e-09   1.062e-09    -8.930    -8.974    -0.044
	CaHSO4+           1.681e-11   1.519e-11   -10.775   -10.819    -0.044

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

	Phase               SI log IAP  log KT

	Anhydrite        -2.48   -6.84   -4.36  CaSO4
	Aragonite        -0.14   -8.48   -8.34  CaCO3
	Calcite           0.00   -8.48   -8.48  CaCO3
	CH4(g)         -140.56 -184.49  -43.93  CH4
	CO2(g)           -1.50  -19.65  -18.15  CO2
	Dolomite          0.00  -17.09  -17.09  CaMg(CO3)2
	Gypsum           -2.26   -6.84   -4.58  CaSO4:2H2O
	H2(g)           -41.21  -41.21    0.00  H2
	H2S(g)         -141.26 -182.85  -41.59  H2S
	O2(g)            -0.70   82.42   83.12  O2
	Sulfur         -105.93 -141.64  -35.71  S

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

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

	SOLUTION 2 Brine
	        pH      5.713
	        pe      4.0     O2(g)   -0.7
	        temp    25.
	        units   mol/kgw
	        Ca      .4655
	        Mg      .1609
	        Na      5.402
	        Cl      6.642           charge
	        C       .00396
	        S       .004725
	        As      .01 umol/kgw
	END
-------------------------------------------
Beginning of initial solution calculations.
-------------------------------------------

Initial solution 2.	Brine

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

	Elements           Molality       Moles

	As                1.000e-08   1.000e-08
	C                 3.960e-03   3.960e-03
	Ca                4.655e-01   4.655e-01
	Cl                6.642e+00   6.642e+00  Charge balance
	Mg                1.609e-01   1.609e-01
	Na                5.402e+00   5.402e+00
	S                 4.725e-03   4.725e-03

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

                                       pH  =   5.713    
                                       pe  =  14.945      Equilibrium with O2(g)
                        Activity of water  =   0.785
                           Ionic strength  =   7.266e+00
                       Mass of water (kg)  =   1.000e+00
                 Total alkalinity (eq/kg)  =   3.758e-03
                       Total CO2 (mol/kg)  =   3.960e-03
                      Temperature (deg C)  =  25.000
                  Electrical balance (eq)  =  -1.096e-11
 Percent error, 100*(Cat-|An|)/(Cat+|An|)  =  -0.00
                               Iterations  =  10
                                  Total H  = 1.110162e+02
                                  Total O  = 5.553688e+01

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

	                                           Log       Log         Log 
	Species            Molality    Activity  Molality  Activity     Gamma

	H+                2.755e-06   1.936e-06    -5.560    -5.713    -0.153
	OH-               8.773e-09   4.056e-09    -8.057    -8.392    -0.335
	H2O.99            1.044e-11   5.561e-11   -10.981   -10.255     0.727
	H2O               5.551e+01   7.846e-01     1.744    -0.105     0.000
As               1.000e-08
	H2AsO4-           9.991e-09   5.474e-08    -8.000    -7.262     0.739
	HAsO4-2           5.476e-12   4.936e-09   -11.262    -8.307     2.955
	H3AsO4            3.481e-12   1.855e-11   -11.458   -10.732     0.727
	AsO4-3            1.451e-21   6.462e-15   -20.838   -14.190     6.649
C(-4)            0.000e+00
	CH4               0.000e+00   0.000e+00  -144.357  -143.631     0.727
C(4)             3.960e-03
	CaHCO3+           3.015e-03   1.745e-03    -2.521    -2.758    -0.238
	HCO3-             3.336e-04   1.931e-04    -3.477    -3.714    -0.238
	MgHCO3+           2.161e-04   1.184e-03    -3.665    -2.927     0.739
	CO2               2.010e-04   1.071e-03    -3.697    -2.970     0.727
	NaHCO3            1.924e-04   1.025e-03    -3.716    -2.989     0.727
	CaCO3             1.044e-06   5.564e-06    -5.981    -5.255     0.727
	MgCO3             4.389e-07   2.339e-06    -6.358    -5.631     0.727
	NaCO3-            1.500e-07   8.221e-07    -6.824    -6.085     0.739
	CO3-2             4.170e-08   4.676e-09    -7.380    -8.330    -0.950
Ca               4.655e-01
	Ca+2              4.609e-01   7.084e-01    -0.336    -0.150     0.187
	CaHCO3+           3.015e-03   1.745e-03    -2.521    -2.758    -0.238
	CaSO4             1.600e-03   8.528e-03    -2.796    -2.069     0.727
	CaCO3             1.044e-06   5.564e-06    -5.981    -5.255     0.727
	CaHSO4+           1.766e-08   9.674e-08    -7.753    -7.014     0.739
	CaOH+             8.693e-09   4.763e-08    -8.061    -7.322     0.739
Cl               6.642e+00
	Cl-               6.642e+00   3.946e+00     0.822     0.596    -0.226
H(0)             0.000e+00
	H2                0.000e+00   0.000e+00   -45.192   -44.465     0.727
Mg               1.609e-01
	Mg+2              1.593e-01   5.242e-01    -0.798    -0.280     0.517
	MgSO4             1.391e-03   7.415e-03    -2.857    -2.130     0.727
	MgHCO3+           2.161e-04   1.184e-03    -3.665    -2.927     0.739
	MgCO3             4.389e-07   2.339e-06    -6.358    -5.631     0.727
	MgOH+             1.407e-07   7.712e-07    -6.852    -6.113     0.739
Na               5.402e+00
	Na+               5.401e+00   9.442e+00     0.732     0.975     0.243
	NaSO4-            5.211e-04   2.855e-03    -3.283    -2.544     0.739
	NaHCO3            1.924e-04   1.025e-03    -3.716    -2.989     0.727
	NaCO3-            1.500e-07   8.221e-07    -6.824    -6.085     0.739
	NaOH              4.743e-09   2.528e-08    -8.324    -7.597     0.727
O(0)             8.211e-05
	O2                4.106e-05   2.188e-04    -4.387    -3.660     0.727
S(-2)            0.000e+00
	H2S               0.000e+00   0.000e+00  -140.620  -139.894     0.727
	HS-               0.000e+00   0.000e+00  -140.787  -141.122    -0.335
	S-2               0.000e+00   0.000e+00  -147.315  -148.327    -1.012
S(6)             4.725e-03
	CaSO4             1.600e-03   8.528e-03    -2.796    -2.069     0.727
	MgSO4             1.391e-03   7.415e-03    -2.857    -2.130     0.727
	SO4-2             1.212e-03   6.034e-05    -2.916    -4.219    -1.303
	NaSO4-            5.211e-04   2.855e-03    -3.283    -2.544     0.739
	CaHSO4+           1.766e-08   9.674e-08    -7.753    -7.014     0.739
	HSO4-             2.073e-09   1.136e-08    -8.683    -7.945     0.739

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

	Phase               SI log IAP  log KT

	Anhydrite        -0.01   -4.37   -4.36  CaSO4
	Aragonite        -0.14   -8.48   -8.34  CaCO3
	Calcite          -0.00   -8.48   -8.48  CaCO3
	CH4(g)         -140.77 -184.70  -43.93  CH4
	CO2(g)           -1.50  -19.65  -18.15  CO2
	Dolomite         -0.00  -17.09  -17.09  CaMg(CO3)2
	Gypsum            0.00   -4.58   -4.58  CaSO4:2H2O
	H2(g)           -41.32  -41.32    0.00  H2
	H2S(g)         -138.90 -180.49  -41.59  H2S
	O2(g)            -0.70   82.42   83.12  O2
	Sulfur         -103.46 -139.17  -35.71  S

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

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

	USE solution 2
	EQUILIBRIUM_PHASES 2
	        Dolomite        0.0     2.7
	        Calcite         0.0     1.0
	SAVE solution 2
	END
-----------------------------------------
Beginning of batch-reaction calculations.
-----------------------------------------

Reaction step 1.

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

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

	Calcite           0.00   -8.48   -8.48  1.000e+00  1.000e+00  2.185e-04
	Dolomite          0.00  -17.09  -17.09  2.700e+00  2.700e+00 -1.093e-04

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

	Elements           Molality       Moles

	As                1.000e-08   1.000e-08
	C                 3.960e-03   3.960e-03
	Ca                4.654e-01   4.654e-01
	Cl                6.642e+00   6.642e+00
	Mg                1.610e-01   1.610e-01
	Na                5.402e+00   5.402e+00
	S                 4.725e-03   4.725e-03

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

                                       pH  =   5.713      Charge balance
                                       pe  =  14.945      Adjusted to redox equilibrium
                        Activity of water  =   0.785
                           Ionic strength  =   7.266e+00
                       Mass of water (kg)  =   1.000e-00
                 Total alkalinity (eq/kg)  =   3.758e-03
                       Total CO2 (mol/kg)  =   3.960e-03
                      Temperature (deg C)  =  25.000
                  Electrical balance (eq)  =  -1.091e-11
 Percent error, 100*(Cat-|An|)/(Cat+|An|)  =  -0.00
                               Iterations  =   6
                                  Total H  = 1.110162e+02
                                  Total O  = 5.553688e+01

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

	                                           Log       Log         Log 
	Species            Molality    Activity  Molality  Activity     Gamma

	H+                2.754e-06   1.936e-06    -5.560    -5.713    -0.153
	OH-               8.776e-09   4.057e-09    -8.057    -8.392    -0.335
	H2O.99            1.044e-11   5.561e-11   -10.981   -10.255     0.727
	H2O               5.551e+01   7.846e-01     1.744    -0.105     0.000
As               1.000e-08
	H2AsO4-           9.991e-09   5.474e-08    -8.000    -7.262     0.739
	HAsO4-2           5.477e-12   4.937e-09   -11.261    -8.307     2.955
	H3AsO4            3.480e-12   1.855e-11   -11.458   -10.732     0.727
	AsO4-3            1.452e-21   6.465e-15   -20.838   -14.189     6.649
C(-4)            0.000e+00
	CH4               0.000e+00   0.000e+00  -144.357  -143.631     0.727
C(4)             3.960e-03
	CaHCO3+           3.015e-03   1.745e-03    -2.521    -2.758    -0.238
	HCO3-             3.337e-04   1.931e-04    -3.477    -3.714    -0.238
	MgHCO3+           2.163e-04   1.185e-03    -3.665    -2.926     0.739
	CO2               2.010e-04   1.071e-03    -3.697    -2.970     0.727
	NaHCO3            1.924e-04   1.025e-03    -3.716    -2.989     0.727
	CaCO3             1.044e-06   5.565e-06    -5.981    -5.255     0.727
	MgCO3             4.394e-07   2.341e-06    -6.357    -5.631     0.727
	NaCO3-            1.501e-07   8.224e-07    -6.824    -6.085     0.739
	CO3-2             4.171e-08   4.678e-09    -7.380    -8.330    -0.950
Ca               4.654e-01
	Ca+2              4.608e-01   7.082e-01    -0.337    -0.150     0.187
	CaHCO3+           3.015e-03   1.745e-03    -2.521    -2.758    -0.238
	CaSO4             1.600e-03   8.525e-03    -2.796    -2.069     0.727
	CaCO3             1.044e-06   5.565e-06    -5.981    -5.255     0.727
	CaHSO4+           1.764e-08   9.668e-08    -7.753    -7.015     0.739
	CaOH+             8.693e-09   4.763e-08    -8.061    -7.322     0.739
Cl               6.642e+00
	Cl-               6.642e+00   3.946e+00     0.822     0.596    -0.226
H(0)             0.000e+00
	H2                0.000e+00   0.000e+00   -45.192   -44.465     0.727
Mg               1.610e-01
	Mg+2              1.594e-01   5.246e-01    -0.798    -0.280     0.517
	MgSO4             1.392e-03   7.419e-03    -2.856    -2.130     0.727
	MgHCO3+           2.163e-04   1.185e-03    -3.665    -2.926     0.739
	MgCO3             4.394e-07   2.341e-06    -6.357    -5.631     0.727
	MgOH+             1.409e-07   7.719e-07    -6.851    -6.112     0.739
Na               5.402e+00
	Na+               5.401e+00   9.442e+00     0.732     0.975     0.243
	NaSO4-            5.210e-04   2.855e-03    -3.283    -2.544     0.739
	NaHCO3            1.924e-04   1.025e-03    -3.716    -2.989     0.727
	NaCO3-            1.501e-07   8.224e-07    -6.824    -6.085     0.739
	NaOH              4.744e-09   2.528e-08    -8.324    -7.597     0.727
O(0)             8.211e-05
	O2                4.106e-05   2.188e-04    -4.387    -3.660     0.727
S(-2)            0.000e+00
	H2S               0.000e+00   0.000e+00  -140.621  -139.894     0.727
	HS-               0.000e+00   0.000e+00  -140.788  -141.123    -0.335
	S-2               0.000e+00   0.000e+00  -147.315  -148.327    -1.012
S(6)             4.725e-03
	CaSO4             1.600e-03   8.525e-03    -2.796    -2.069     0.727
	MgSO4             1.392e-03   7.419e-03    -2.856    -2.130     0.727
	SO4-2             1.212e-03   6.033e-05    -2.917    -4.219    -1.303
	NaSO4-            5.210e-04   2.855e-03    -3.283    -2.544     0.739
	CaHSO4+           1.764e-08   9.668e-08    -7.753    -7.015     0.739
	HSO4-             2.072e-09   1.136e-08    -8.684    -7.945     0.739

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

	Phase               SI log IAP  log KT

	Anhydrite        -0.01   -4.37   -4.36  CaSO4
	Aragonite        -0.14   -8.48   -8.34  CaCO3
	Calcite           0.00   -8.48   -8.48  CaCO3
	CH4(g)         -140.77 -184.70  -43.93  CH4
	CO2(g)           -1.50  -19.65  -18.15  CO2
	Dolomite          0.00  -17.09  -17.09  CaMg(CO3)2
	Gypsum            0.00   -4.58   -4.58  CaSO4:2H2O
	H2(g)           -41.32  -41.32    0.00  H2
	H2S(g)         -138.90 -180.49  -41.59  H2S
	O2(g)            -0.70   82.42   83.12  O2
	Sulfur         -103.46 -139.17  -35.71  S

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

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

	EXCHANGE 2
	        equilibrate with solution 2
	        X       0.4
	SURFACE 2
	        equilibrate solution 2
	        SurfOH          0.14     600.    30.
	END
-------------------------------------------------------
Beginning of initial exchange-composition calculations.
-------------------------------------------------------

Exchange 2.	

X                4.000e-01 mol

	                               Equiv-    Equivalent      Log 
	Species             Moles      alents      Fraction     Gamma

	NaX               3.742e-01   3.742e-01   9.356e-01     0.000
	CaX2              8.775e-03   1.755e-02   4.387e-02     0.000
	MgX2              4.101e-03   8.202e-03   2.051e-02     0.000
	HX                7.673e-07   7.673e-07   1.918e-06     0.000

------------------------------------------------------
Beginning of initial surface-composition calculations.
------------------------------------------------------

Surface 2.	

Surf          
	  9.363e-02  Surface charge, eq
	  5.019e-01  sigma, C/m**2
	  6.379e-02  psi, V
	 -2.483e+00  -F*psi/RT
	  8.349e-02  exp(-F*psi/RT)
	  6.000e+02  specific area, m**2/g
	  1.800e+04  m**2 for   3.000e+01 g


Surf          
	  1.400e-01  moles
	                                   Mole                     Log
	Species               Moles    Fraction    Molality    Molality

	SurfOH2+          1.018e-01       0.727   1.018e-01      -0.992
	SurfOH            3.231e-02       0.231   3.231e-02      -1.491
	SurfHAsO4-        3.868e-03       0.028   3.868e-03      -2.413
	SurfOHAsO4-3      1.365e-03       0.010   1.365e-03      -2.865
	SurfH2AsO4        3.944e-04       0.003   3.944e-04      -3.404
	SurfO-            2.349e-04       0.002   2.349e-04      -3.629

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

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

	SELECTED_OUTPUT
	        file ok.sel
	        reset false
	        ph
	USER_PUNCH
	heading        Ca      Mg      Na      Cl      C(4)    SO4     As
	10 PUNCH TOT("Ca")*1e3*40.08
	20 PUNCH TOT("Mg")*1e3*24.312
	30 PUNCH TOT("Na")*1e3*23.
	40 PUNCH TOT("Cl")*1e3*35.45
	50 PUNCH TOT("C(4)")*1e3*61.   # as HCO3-
	60 PUNCH TOT("S(6)")*1e3*96.   # as SO4
	70 PUNCH TOT("As")*1e6*74.296  # ug/L
	END
------------------
End of simulation.
------------------

------------------------------------
Reading input data for simulation 7.
------------------------------------

List of Components:
	1	H
	2	O
	3	As
	4	C
	5	Ca
	6	Cl
	7	Mg
	8	Na
	9	S
	10	Charge
List of master species:
	1	As
	2	C(-4)
	3	C(4)
	4	Ca
	5	Cl
	6	Mg
	7	Na
	8	S(-2)
	9	S(6)