ex18.phreeqc.out

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Reading input data for simulation 1.
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	TITLE Example 18.--Inverse modeling of Madison aquifer
	SOLUTION 1 Recharge number 3
	units   mmol/kgw
	temp    9.9
	pe      0.
	pH      7.55
	Ca      1.2
	Mg      1.01
	Na      0.02
	K       0.02
	Fe(2)   0.001
	Cl      0.02
	S(6)    0.16
	S(-2)   0
	C(4)    4.30
	isotope      13C     -7.0    1.4
	isotope      34S     9.7     0.9
	SOLUTION 2 Mysse
	units   mmol/kgw
	temp    63.
	pH      6.61
	pe      0.
	redox   S(6)/S(-2)
	Ca      11.28
	Mg      4.54
	Na      31.89
	K       2.54
	Fe(2)   0.0004
	Cl      17.85
	S(6)    19.86
	S(-2)   0.26
	C(4)    6.87
	isotope      13C     -2.3    0.2
	isotope      34S(6)  16.3    1.5
	isotope      34S(-2) -22.1   7
	INVERSE_MODELING 1
	solutions 1 2
	uncertainty 0.05
	range
	isotopes
	13C
	34S
	balances
	Fe(2)   1.0
	ph      0.1
	phases
	Dolomite        dis     13C     3.0     2
	Calcite         pre     13C     -1.5    1
	Anhydrite       dis     34S     13.5    2
	CH2O            dis     13C     -25.0   5
	Goethite
	Pyrite          pre     34S     -22.    2
	CaX2            pre
	Ca.75Mg.25X2    pre
	MgX2            pre
	NaX
	Halite
	Sylvite
	PHASES
	Sylvite
	KCl = K+ + Cl-
	log_k  0.0
	CH2O
	CH2O + H2O = CO2 + 4H+ + 4e-
	log_k  0.0
	EXCHANGE_SPECIES
	0.75Ca+2 + 0.25Mg+2 + 2X- = Ca.75Mg.25X2
	log_k   0.0
	END
-----
TITLE
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 Example 18.--Inverse modeling of Madison aquifer

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Beginning of initial solution calculations.
-------------------------------------------

Initial solution 1.	Recharge number 3

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

	Elements           Molality       Moles

	C(4)             4.300e-003  4.300e-003
	Ca               1.200e-003  1.200e-003
	Cl               2.000e-005  2.000e-005
	Fe(2)            1.000e-006  1.000e-006
	K                2.000e-005  2.000e-005
	Mg               1.010e-003  1.010e-003
	Na               2.000e-005  2.000e-005
	S(6)             1.600e-004  1.600e-004

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

                                       pH  =   7.550
                                       pe  =   0.000
                        Activity of water  =   1.000
                           Ionic strength  =  6.543e-003
                       Mass of water (kg)  =  1.000e+000
                 Total alkalinity (eq/kg)  =  4.016e-003
                       Total CO2 (mol/kg)  =  4.300e-003
                      Temperature (deg C)  =   9.900
                  Electrical balance (eq)  =  1.061e-004
 Percent error, 100*(Cat-|An|)/(Cat+|An|)  =   1.24
                               Iterations  =   8
                                  Total H  = 1.110164e+002
                                  Total O  = 5.551946e+001

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

                                                   Log       Log         Log
   Species                 Molality    Activity  Molality  Activity     Gamma

   OH-                   1.118e-007  1.029e-007    -6.951    -6.988    -0.036
   H+                    3.038e-008  2.818e-008    -7.517    -7.550    -0.033
   H2O                   5.551e+001  9.999e-001     1.744    -0.000     0.000
C(4)            4.300e-003
   HCO3-                 3.929e-003  3.623e-003    -2.406    -2.441    -0.035
   CO2                   2.970e-004  2.974e-004    -3.527    -3.527     0.001
   MgHCO3+               3.098e-005  2.850e-005    -4.509    -4.545    -0.036
   CaHCO3+               3.034e-005  2.791e-005    -4.518    -4.554    -0.036
   CO3-2                 5.765e-006  4.168e-006    -5.239    -5.380    -0.141
   CaCO3                 4.714e-006  4.721e-006    -5.327    -5.326     0.001
   MgCO3                 2.208e-006  2.211e-006    -5.656    -5.655     0.001
   FeHCO3+               2.065e-007  1.900e-007    -6.685    -6.721    -0.036
   FeCO3                 5.235e-008  5.243e-008    -7.281    -7.280     0.001
   NaHCO3                3.737e-008  3.742e-008    -7.428    -7.427     0.001
   NaCO3-                6.948e-010  6.391e-010    -9.158    -9.194    -0.036
Ca              1.200e-003
   Ca+2                  1.151e-003  8.317e-004    -2.939    -3.080    -0.141
   CaHCO3+               3.034e-005  2.791e-005    -4.518    -4.554    -0.036
   CaSO4                 1.393e-005  1.395e-005    -4.856    -4.855     0.001
   CaCO3                 4.714e-006  4.721e-006    -5.327    -5.326     0.001
   CaOH+                 5.323e-009  4.897e-009    -8.274    -8.310    -0.036
   CaHSO4+               2.136e-012  1.965e-012   -11.670   -11.707    -0.036
Cl              2.000e-005
   Cl-                   2.000e-005  1.838e-005    -4.699    -4.736    -0.037
   FeCl+                 1.446e-011  1.330e-011   -10.840   -10.876    -0.036
Fe(2)           1.000e-006
   Fe+2                  7.324e-007  5.245e-007    -6.135    -6.280    -0.145
   FeHCO3+               2.065e-007  1.900e-007    -6.685    -6.721    -0.036
   FeCO3                 5.235e-008  5.243e-008    -7.281    -7.280     0.001
   FeSO4                 6.791e-009  6.802e-009    -8.168    -8.167     0.001
   FeOH+                 1.949e-009  1.793e-009    -8.710    -8.746    -0.036
   FeCl+                 1.446e-011  1.330e-011   -10.840   -10.876    -0.036
   Fe(OH)2               1.355e-013  1.357e-013   -12.868   -12.867     0.001
   FeHSO4+               1.347e-015  1.239e-015   -14.871   -14.907    -0.036
   Fe(OH)3-              1.663e-016  1.530e-016   -15.779   -15.815    -0.036
H(0)            1.316e-018
   H2                    6.579e-019  6.588e-019   -18.182   -18.181     0.001
K               2.000e-005
   K+                    1.999e-005  1.837e-005    -4.699    -4.736    -0.037
   KSO4-                 1.037e-008  9.538e-009    -7.984    -8.021    -0.036
Mg              1.010e-003
   Mg+2                  9.662e-004  7.011e-004    -3.015    -3.154    -0.139
   MgHCO3+               3.098e-005  2.850e-005    -4.509    -4.545    -0.036
   MgSO4                 1.063e-005  1.064e-005    -4.974    -4.973     0.001
   MgCO3                 2.208e-006  2.211e-006    -5.656    -5.655     0.001
   MgOH+                 2.335e-008  2.148e-008    -7.632    -7.668    -0.036
Na              2.000e-005
   Na+                   1.995e-005  1.837e-005    -4.700    -4.736    -0.036
   NaHCO3                3.737e-008  3.742e-008    -7.428    -7.427     0.001
   NaSO4-                8.826e-009  8.119e-009    -8.054    -8.090    -0.036
   NaCO3-                6.948e-010  6.391e-010    -9.158    -9.194    -0.036
O(0)            0.000e+000
   O2                    0.000e+000  0.000e+000   -61.151   -61.151     0.001
S(6)            1.600e-004
   SO4-2                 1.354e-004  9.754e-005    -3.868    -4.011    -0.142
   CaSO4                 1.393e-005  1.395e-005    -4.856    -4.855     0.001
   MgSO4                 1.063e-005  1.064e-005    -4.974    -4.973     0.001
   KSO4-                 1.037e-008  9.538e-009    -7.984    -8.021    -0.036
   NaSO4-                8.826e-009  8.119e-009    -8.054    -8.090    -0.036
   FeSO4                 6.791e-009  6.802e-009    -8.168    -8.167     0.001
   HSO4-                 2.136e-010  1.965e-010    -9.670    -9.707    -0.036
   CaHSO4+               2.136e-012  1.965e-012   -11.670   -11.707    -0.036
   FeHSO4+               1.347e-015  1.239e-015   -14.871   -14.907    -0.036

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

	Phase               SI log IAP  log KT

	Anhydrite        -2.76   -7.09   -4.34  CaSO4
	Aragonite        -0.21   -8.46   -8.25  CaCO3
	Artinite         -7.31    3.41   10.72  MgCO3:Mg(OH)2:3H2O
	Brucite          -5.95   11.95   17.90  Mg(OH)2
	Calcite          -0.05   -8.46   -8.41  CaCO3
	CH2O            -33.73  -33.73    0.00  CH2O
	CO2(g)           -2.26   -3.53   -1.27  CO2
	Dolomite         -0.27  -16.99  -16.72  CaMg(CO3)2
	Dolomite(d)      -0.89  -16.99  -16.11  CaMg(CO3)2
	Epsomite         -4.92   -7.17   -2.25  MgSO4:7H2O
	Gypsum           -2.50   -7.09   -4.59  CaSO4:2H2O
	H2(g)           -15.10  -18.18   -3.08  H2
	H2O(g)           -1.92   -0.00    1.92  H2O
	Halite          -11.02   -9.47    1.55  NaCl
	Huntite          -5.10  -34.06  -28.96  CaMg3(CO3)4
	Hydromagnesite  -15.47  -22.19   -6.72  Mg5(CO3)4(OH)2:4H2O
	Magnesite        -0.75   -8.53   -7.79  MgCO3
	Melanterite      -7.88  -10.29   -2.41  FeSO4:7H2O
	Mirabilite      -11.63  -13.48   -1.86  Na2SO4:10H2O
	Nahcolite        -6.48   -7.18   -0.69  NaHCO3
	Natron          -12.93  -14.85   -1.93  Na2CO3:10H2O
	Nesquehonite     -3.14   -8.53   -5.39  MgCO3:3H2O
	O2(g)           -58.39  -61.15   -2.76  O2
	Portlandite     -11.99   12.02   24.01  Ca(OH)2
	Siderite         -0.87  -11.66  -10.79  FeCO3
	Siderite(d)(3)   -1.21  -11.66  -10.45  FeCO3
	Sylvite          -9.47   -9.47    0.00  KCl
	Thenardite      -13.33  -13.48   -0.16  Na2SO4
	Thermonatrite   -15.09  -14.85    0.23  Na2CO3:H2O
	Trona           -21.94  -22.03   -0.09  NaHCO3:Na2CO3:2H2O

Initial solution 2.	Mysse

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

	Elements           Molality       Moles

	C(4)             6.870e-003  6.870e-003
	Ca               1.128e-002  1.128e-002
	Cl               1.785e-002  1.785e-002
	Fe(2)            4.000e-007  4.000e-007
	K                2.540e-003  2.540e-003
	Mg               4.540e-003  4.540e-003
	Na               3.189e-002  3.189e-002
	S(-2)            2.600e-004  2.600e-004
	S(6)             1.986e-002  1.986e-002

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

                                       pH  =   6.610
                                       pe  =   0.000
                        Activity of water  =   0.999
                           Ionic strength  =  7.256e-002
                       Mass of water (kg)  =  1.000e+000
                 Total alkalinity (eq/kg)  =  5.256e-003
                       Total CO2 (mol/kg)  =  6.870e-003
                      Temperature (deg C)  =  63.000
                  Electrical balance (eq)  =  3.244e-003
 Percent error, 100*(Cat-|An|)/(Cat+|An|)  =   3.20
                               Iterations  =   8
                                  Total H  = 1.110179e+002
                                  Total O  = 5.560448e+001

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

	Redox couple             pe  Eh (volts)

	S(-2)/S(6)          -3.6533     -0.2437

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

                                                   Log       Log         Log
   Species                 Molality    Activity  Molality  Activity     Gamma

   OH-                   5.624e-007  4.419e-007    -6.250    -6.355    -0.105
   H+                    2.963e-007  2.455e-007    -6.528    -6.610    -0.082
   H2O                   5.551e+001  9.985e-001     1.744    -0.001     0.000
C(4)            6.870e-003
   HCO3-                 4.710e-003  3.745e-003    -2.327    -2.427    -0.100
   CO2                   1.783e-003  1.813e-003    -2.749    -2.741     0.007
   CaHCO3+               2.373e-004  1.865e-004    -3.625    -3.729    -0.105
   MgHCO3+               6.575e-005  5.167e-005    -4.182    -4.287    -0.105
   NaHCO3                5.044e-005  5.129e-005    -4.297    -4.290     0.007
   CaCO3                 1.554e-005  1.580e-005    -4.808    -4.801     0.007
   NaCO3-                3.510e-006  2.759e-006    -5.455    -5.559    -0.105
   CO3-2                 2.779e-006  1.111e-006    -5.556    -5.954    -0.398
   MgCO3                 1.642e-006  1.670e-006    -5.785    -5.777     0.007
   FeHCO3+               1.215e-008  9.550e-009    -7.915    -8.020    -0.105
   FeCO3                 6.685e-010  6.798e-010    -9.175    -9.168     0.007
Ca              1.128e-002
   Ca+2                  7.215e-003  2.899e-003    -2.142    -2.538    -0.396
   CaSO4                 3.812e-003  3.876e-003    -2.419    -2.412     0.007
   CaHCO3+               2.373e-004  1.865e-004    -3.625    -3.729    -0.105
   CaCO3                 1.554e-005  1.580e-005    -4.808    -4.801     0.007
   CaHSO4+               1.322e-008  1.039e-008    -7.879    -7.984    -0.105
   CaOH+                 2.490e-009  1.957e-009    -8.604    -8.708    -0.105
Cl              1.785e-002
   Cl-                   1.785e-002  1.381e-002    -1.748    -1.860    -0.111
   FeCl+                 6.186e-010  4.861e-010    -9.209    -9.313    -0.105
Fe(2)           4.000e-007
   Fe(HS)2               2.745e-007  2.791e-007    -6.561    -6.554     0.007
   Fe+2                  6.686e-008  2.550e-008    -7.175    -7.593    -0.419
   FeSO4                 4.040e-008  4.108e-008    -7.394    -7.386     0.007
   FeHCO3+               1.215e-008  9.550e-009    -7.915    -8.020    -0.105
   Fe(HS)3-              4.286e-009  3.368e-009    -8.368    -8.473    -0.105
   FeCO3                 6.685e-010  6.798e-010    -9.175    -9.168     0.007
   FeCl+                 6.186e-010  4.861e-010    -9.209    -9.313    -0.105
   FeOH+                 5.180e-010  4.070e-010    -9.286    -9.390    -0.105
   Fe(OH)2               2.599e-013  2.643e-013   -12.585   -12.578     0.007
   FeHSO4+               1.163e-013  9.136e-014   -12.935   -13.039    -0.105
   Fe(OH)3-              7.078e-017  5.562e-017   -16.150   -16.255    -0.105
H(0)            1.215e-009
   H2                    6.074e-010  6.177e-010    -9.217    -9.209     0.007
K               2.540e-003
   K+                    2.394e-003  1.852e-003    -2.621    -2.732    -0.111
   KSO4-                 1.459e-004  1.146e-004    -3.836    -3.941    -0.105
Mg              4.540e-003
   MgSO4                 2.360e-003  2.400e-003    -2.627    -2.620     0.007
   Mg+2                  2.113e-003  8.782e-004    -2.675    -3.056    -0.381
   MgHCO3+               6.575e-005  5.167e-005    -4.182    -4.287    -0.105
   MgCO3                 1.642e-006  1.670e-006    -5.785    -5.777     0.007
   MgOH+                 3.463e-007  2.721e-007    -6.461    -6.565    -0.105
Na              3.189e-002
   Na+                   3.090e-002  2.435e-002    -1.510    -1.613    -0.103
   NaSO4-                9.409e-004  7.394e-004    -3.026    -3.131    -0.105
   NaHCO3                5.044e-005  5.129e-005    -4.297    -4.290     0.007
   NaCO3-                3.510e-006  2.759e-006    -5.455    -5.559    -0.105
O(0)            0.000e+000
   O2                    0.000e+000  0.000e+000   -63.093   -63.086     0.007
S(-2)           2.600e-004
   HS-                   1.410e-004  1.108e-004    -3.851    -3.955    -0.105
   H2S                   1.078e-004  1.096e-004    -3.968    -3.960     0.007
   S5-2                  1.302e-006  6.764e-007    -5.886    -6.170    -0.284
   S4-2                  8.722e-007  4.260e-007    -6.059    -6.371    -0.311
   Fe(HS)2               2.745e-007  2.791e-007    -6.561    -6.554     0.007
   S6-2                  1.084e-007  5.938e-008    -6.965    -7.226    -0.262
   Fe(HS)3-              4.286e-009  3.368e-009    -8.368    -8.473    -0.105
   S-2                   1.438e-009  5.486e-010    -8.842    -9.261    -0.419
   S3-2                  3.786e-010  1.715e-010    -9.422    -9.766    -0.344
   S2-2                  2.782e-011  1.178e-011   -10.556   -10.929    -0.373
S(6)            1.986e-002
   SO4-2                 1.260e-002  4.892e-003    -1.900    -2.311    -0.411
   CaSO4                 3.812e-003  3.876e-003    -2.419    -2.412     0.007
   MgSO4                 2.360e-003  2.400e-003    -2.627    -2.620     0.007
   NaSO4-                9.409e-004  7.394e-004    -3.026    -3.131    -0.105
   KSO4-                 1.459e-004  1.146e-004    -3.836    -3.941    -0.105
   HSO4-                 3.792e-007  2.980e-007    -6.421    -6.526    -0.105
   FeSO4                 4.040e-008  4.108e-008    -7.394    -7.386     0.007
   CaHSO4+               1.322e-008  1.039e-008    -7.879    -7.984    -0.105
   FeHSO4+               1.163e-013  9.136e-014   -12.935   -13.039    -0.105

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

	Phase               SI log IAP  log KT

	Anhydrite        -0.14   -4.85   -4.71  CaSO4
	Aragonite         0.18   -8.49   -8.67  CaCO3
	Artinite         -6.07    1.15    7.22  MgCO3:Mg(OH)2:3H2O
	Brucite          -4.43   10.16   14.59  Mg(OH)2
	Calcite           0.30   -8.49   -8.79  CaCO3
	CH2O            -14.57  -14.57    0.00  CH2O
	CO2(g)           -0.94   -2.74   -1.80  CO2
	Dolomite          0.37  -17.50  -17.87  CaMg(CO3)2
	Dolomite(d)      -0.04  -17.50  -17.46  CaMg(CO3)2
	Epsomite         -3.47   -5.37   -1.91  MgSO4:7H2O
	FeS(ppt)         -1.02   -4.94   -3.92  FeS
	Gypsum           -0.18   -4.85   -4.67  CaSO4:2H2O
	H2(g)            -5.91   -9.21   -3.30  H2
	H2O(g)           -0.64   -0.00    0.64  H2O
	H2S(g)           -2.58   -3.96   -1.38  H2S
	Halite           -5.13   -3.47    1.66  NaCl
	Huntite          -3.42  -35.52  -32.10  CaMg3(CO3)4
	Hydromagnesite  -12.79  -25.88  -13.09  Mg5(CO3)4(OH)2:4H2O
	Mackinawite      -0.29   -4.94   -4.65  FeS
	Magnesite        -0.47   -9.01   -8.54  MgCO3
	Melanterite      -8.06   -9.91   -1.85  FeSO4:7H2O
	Mirabilite       -6.00   -5.54    0.46  Na2SO4:10H2O
	Nahcolite        -3.80   -4.04   -0.24  NaHCO3
	Natron           -9.18   -9.19   -0.01  Na2CO3:10H2O
	Nesquehonite     -2.91   -9.01   -6.10  MgCO3:3H2O
	O2(g)           -60.01  -63.09   -3.07  O2
	Portlandite      -9.55   10.68   20.23  Ca(OH)2
	Pyrite            7.95   -9.59  -17.54  FeS2
	Siderite         -2.45  -13.55  -11.10  FeCO3
	Siderite(d)(3)   -3.10  -13.55  -10.45  FeCO3
	Sulfur           -2.20  -16.57  -14.37  S
	Sylvite          -4.59   -4.59    0.00  KCl
	Thenardite       -5.31   -5.54   -0.23  Na2SO4
	Thermonatrite    -9.07   -9.18   -0.11  Na2CO3:H2O
	Trona           -10.94  -13.22   -2.29  NaHCO3:Na2CO3:2H2O

---------------------------------------------
Beginning of inverse modeling 1 calculations.
---------------------------------------------

Using Cl1 standard precision optimization routine.

Solution 1: Recharge number 3

                         Input          Delta    Input+Delta
             pH     7.550e+000  +  0.000e+000  =  7.550e+000
     Alkalinity     4.016e-003  +  0.000e+000  =  4.016e-003
          C(-4)     0.000e+000  +  0.000e+000  =  0.000e+000
           C(4)     4.300e-003  +  0.000e+000  =  4.300e-003
             Ca     1.200e-003  + -5.307e-005  =  1.147e-003
             Cl     2.000e-005  +  0.000e+000  =  2.000e-005
          Fe(2)     1.000e-006  +  0.000e+000  =  1.000e-006
          Fe(3)     0.000e+000  +  0.000e+000  =  0.000e+000
           H(0)     0.000e+000  +  0.000e+000  =  0.000e+000
              K     2.000e-005  +  0.000e+000  =  2.000e-005
             Mg     1.010e-003  +  0.000e+000  =  1.010e-003
             Na     2.000e-005  +  0.000e+000  =  2.000e-005
           O(0)     0.000e+000  +  0.000e+000  =  0.000e+000
          S(-2)     0.000e+000  +  0.000e+000  =  0.000e+000
           S(6)     1.600e-004  +  0.000e+000  =  1.600e-004
              X     0.000e+000  +  0.000e+000  =  0.000e+000
        13C(-4)             -7  +           0  =          -7
         13C(4)             -7  +           0  =          -7
        34S(-2)            9.7  +           0  =         9.7
         34S(6)            9.7  +           0  =         9.7

Solution 2: Mysse

                         Input          Delta    Input+Delta
             pH     6.610e+000  +  0.000e+000  =  6.610e+000
     Alkalinity     5.256e-003  +  0.000e+000  =  5.256e-003
          C(-4)     0.000e+000  +  0.000e+000  =  0.000e+000
           C(4)     6.870e-003  +  0.000e+000  =  6.870e-003
             Ca     1.128e-002  +  0.000e+000  =  1.128e-002
             Cl     1.785e-002  +  0.000e+000  =  1.785e-002
          Fe(2)     4.000e-007  +  0.000e+000  =  4.000e-007
          Fe(3)     0.000e+000  +  0.000e+000  =  0.000e+000
           H(0)     1.215e-009  +  0.000e+000  =  1.215e-009
              K     2.540e-003  +  0.000e+000  =  2.540e-003
             Mg     4.540e-003  +  0.000e+000  =  4.540e-003
             Na     3.189e-002  + -1.258e-003  =  3.063e-002
           O(0)     0.000e+000  +  0.000e+000  =  0.000e+000
          S(-2)     2.600e-004  +  0.000e+000  =  2.600e-004
           S(6)     1.986e-002  +  9.930e-004  =  2.085e-002
              X     0.000e+000  +  0.000e+000  =  0.000e+000
        13C(-4)           -2.3  +           0  =        -2.3
         13C(4)           -2.3  +           0  =        -2.3
        34S(-2)          -22.1  +           0  =       -22.1
         34S(6)           16.3  +           0  =        16.3

Isotopic composition of phases:
   13C Dolomite              3  +           0  =           3
    13C Calcite           -1.5  +           0  =        -1.5
  34S Anhydrite           13.5  +   -0.652815  =     12.8472
       13C CH2O            -25  +     3.57838  =    -21.4216
     34S Pyrite            -22  +           2  =         -20

Solution fractions:                   Minimum        Maximum
   Solution   1     1.000e+000     9.999e-001     1.000e+000
   Solution   2     1.000e+000     1.000e+000     1.000e+000

Phase mole transfers:                 Minimum        Maximum
       Dolomite     1.118e-002     1.022e-002     1.193e-002   CaMg(CO3)2
        Calcite    -2.393e-002    -2.567e-002    -2.144e-002   CaCO3
      Anhydrite     2.288e-002     2.077e-002     2.348e-002   CaSO4
           CH2O     4.140e-003     3.006e-003     5.274e-003   CH2O
       Goethite     9.648e-004     6.542e-004     1.275e-003   FeOOH
         Pyrite    -9.654e-004    -1.274e-003    -6.562e-004   FeS2
           MgX2    -7.651e-003    -8.575e-003    -6.972e-003   MgX2
            NaX     1.530e-002     1.394e-002     1.715e-002   NaX
         Halite     1.531e-002     1.429e-002     1.633e-002   NaCl
        Sylvite     2.520e-003     2.392e-003     2.648e-003   KCl

Redox mole transfers:
          Fe(3)     9.648e-004
           H(0)    -1.215e-009
          S(-2)    -2.191e-003

Sum of residuals (epsilons in documentation):        2.685e+000
Sum of delta/uncertainty limit:                      4.716e+000
Maximum fractional error in element concentration:   5.000e-002

Model contains minimum number of phases.
===============================================================================


Solution 1: Recharge number 3

                         Input          Delta    Input+Delta
             pH     7.550e+000  +  0.000e+000  =  7.550e+000
     Alkalinity     4.016e-003  +  1.061e-004  =  4.122e-003
          C(-4)     0.000e+000  +  0.000e+000  =  0.000e+000
           C(4)     4.300e-003  +  1.136e-004  =  4.414e-003
             Ca     1.200e-003  +  0.000e+000  =  1.200e-003
             Cl     2.000e-005  +  0.000e+000  =  2.000e-005
          Fe(2)     1.000e-006  +  0.000e+000  =  1.000e-006
          Fe(3)     0.000e+000  +  0.000e+000  =  0.000e+000
           H(0)     0.000e+000  +  0.000e+000  =  0.000e+000
              K     2.000e-005  +  0.000e+000  =  2.000e-005
             Mg     1.010e-003  +  0.000e+000  =  1.010e-003
             Na     2.000e-005  +  0.000e+000  =  2.000e-005
           O(0)     0.000e+000  +  0.000e+000  =  0.000e+000
          S(-2)     0.000e+000  +  0.000e+000  =  0.000e+000
           S(6)     1.600e-004  +  0.000e+000  =  1.600e-004
              X     0.000e+000  +  0.000e+000  =  0.000e+000
        13C(-4)             -7  +           0  =          -7
         13C(4)             -7  +           0  =          -7
        34S(-2)            9.7  +           0  =         9.7
         34S(6)            9.7  +           0  =         9.7

Solution 2: Mysse

                         Input          Delta    Input+Delta
             pH     6.610e+000  +  5.919e-002  =  6.669e+000
     Alkalinity     5.256e-003  +  0.000e+000  =  5.256e-003
          C(-4)     0.000e+000  +  0.000e+000  =  0.000e+000
           C(4)     6.870e-003  + -2.592e-004  =  6.611e-003
             Ca     1.128e-002  +  0.000e+000  =  1.128e-002
             Cl     1.785e-002  +  0.000e+000  =  1.785e-002
          Fe(2)     4.000e-007  +  0.000e+000  =  4.000e-007
          Fe(3)     0.000e+000  +  0.000e+000  =  0.000e+000
           H(0)     1.215e-009  +  0.000e+000  =  1.215e-009
              K     2.540e-003  +  0.000e+000  =  2.540e-003
             Mg     4.540e-003  +  0.000e+000  =  4.540e-003
             Na     3.189e-002  + -1.258e-003  =  3.063e-002
           O(0)     0.000e+000  +  0.000e+000  =  0.000e+000
          S(-2)     2.600e-004  +  0.000e+000  =  2.600e-004
           S(6)     1.986e-002  +  9.930e-004  =  2.085e-002
              X     0.000e+000  +  0.000e+000  =  0.000e+000
        13C(-4)           -2.3  +           0  =        -2.3
         13C(4)           -2.3  +           0  =        -2.3
        34S(-2)          -22.1  +           0  =       -22.1
         34S(6)           16.3  +           0  =        16.3

Isotopic composition of phases:
   13C Dolomite              3  +           2  =           5
    13C Calcite           -1.5  +          -1  =        -2.5
  34S Anhydrite           13.5  +   -0.119761  =     13.3802
       13C CH2O            -25  +           5  =         -20
     34S Pyrite            -22  +           2  =         -20

Solution fractions:                   Minimum        Maximum
   Solution   1     1.000e+000     1.000e+000     1.000e+000
   Solution   2     1.000e+000     1.000e+000     1.000e+000

Phase mole transfers:                 Minimum        Maximum
       Dolomite     5.443e-003     4.995e-003     5.838e-003   CaMg(CO3)2
        Calcite    -1.214e-002    -1.333e-002    -1.099e-002   CaCO3
      Anhydrite     2.252e-002     2.077e-002     2.297e-002   CaSO4
           CH2O     3.455e-003     3.006e-003     4.297e-003   CH2O
       Goethite     7.820e-004     6.542e-004     1.015e-003   FeOOH
         Pyrite    -7.826e-004    -1.014e-003    -6.562e-004   FeS2
   Ca.75Mg.25X2    -7.651e-003    -8.575e-003    -6.972e-003   Ca.75Mg.25X2
            NaX     1.530e-002     1.394e-002     1.715e-002   NaX
         Halite     1.531e-002     1.429e-002     1.633e-002   NaCl
        Sylvite     2.520e-003     2.392e-003     2.648e-003   KCl

Redox mole transfers:
          Fe(3)     7.820e-004
           H(0)    -1.215e-009
          S(-2)    -1.825e-003

Sum of residuals (epsilons in documentation):        4.216e+000
Sum of delta/uncertainty limit:                      8.253e+000
Maximum fractional error in element concentration:   5.000e-002

Model contains minimum number of phases.
===============================================================================


Summary of inverse modeling:

	Number of models found: 2
	Number of minimal models found: 2
	Number of infeasible sets of phases saved: 28
	Number of calls to cl1: 80
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End of simulation.
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Reading input data for simulation 2.
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End of run.
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