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Tony's vm revisions, phreeqc.dat gfw for N redox states

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git-svn-id: svn://136.177.114.72/svn_GW/phreeqc3/trunk@8204 1feff8c3-07ed-0310-ac33-dd36852eb9cd
This commit is contained in:
David L Parkhurst 2013-11-18 20:58:12 +00:00
parent 27ab00059d
commit dcba67604c
29 changed files with 248 additions and 250 deletions
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34
ex1.out
View File

@ -176,9 +176,9 @@ Ca 1.066e-02
CaHSO4+ 5.915e-11 4.418e-11 -10.228 -10.355 -0.127 (0)
Cl 5.657e-01
Cl- 5.657e-01 3.568e-01 -0.247 -0.448 -0.200 18.79
MnCl+ 1.053e-09 6.985e-10 -8.977 -9.156 -0.178 7.01
MnCl2 9.314e-11 1.088e-10 -10.031 -9.963 0.067 (0)
MnCl3- 1.612e-11 1.069e-11 -10.793 -10.971 -0.178 (0)
MnCl+ 1.053e-09 6.985e-10 -8.977 -9.156 -0.178 -2.79
MnCl2 9.314e-11 1.088e-10 -10.031 -9.963 0.067 85.89
MnCl3- 1.612e-11 1.069e-11 -10.793 -10.971 -0.178 45.79
FeCl+2 1.519e-18 2.939e-19 -17.818 -18.532 -0.713 (0)
FeCl2+ 7.062e-19 4.684e-19 -18.151 -18.329 -0.178 (0)
FeCl+ 7.392e-20 5.521e-20 -19.131 -19.258 -0.127 (0)
@ -186,7 +186,7 @@ Cl 5.657e-01
Fe(2) 6.492e-19
Fe+2 4.892e-19 1.121e-19 -18.311 -18.950 -0.640 -20.71
FeCl+ 7.392e-20 5.521e-20 -19.131 -19.258 -0.127 (0)
FeSO4 4.443e-20 5.190e-20 -19.352 -19.285 0.067 (0)
FeSO4 4.443e-20 5.190e-20 -19.352 -19.285 0.067 18.97
FeCO3 1.796e-20 2.098e-20 -19.746 -19.678 0.067 (0)
FeHCO3+ 1.505e-20 1.124e-20 -19.823 -19.949 -0.127 (0)
FeOH+ 8.698e-21 5.768e-21 -20.061 -20.239 -0.178 (0)
@ -219,25 +219,25 @@ Mg 5.507e-02
MgCO3 8.747e-05 1.022e-04 -4.058 -3.991 0.067 -17.09
MgOH+ 1.151e-05 8.107e-06 -4.939 -5.091 -0.152 (0)
Mn(2) 3.773e-09
Mn+2 2.097e-09 4.806e-10 -8.678 -9.318 -0.640 -15.99
MnCl+ 1.053e-09 6.985e-10 -8.977 -9.156 -0.178 7.01
Mn+2 2.097e-09 4.806e-10 -8.678 -9.318 -0.640 -16.36
MnCl+ 1.053e-09 6.985e-10 -8.977 -9.156 -0.178 -2.79
MnCO3 2.550e-10 2.979e-10 -9.593 -9.526 0.067 (0)
MnSO4 1.905e-10 2.225e-10 -9.720 -9.653 0.067 4.99
MnCl2 9.314e-11 1.088e-10 -10.031 -9.963 0.067 (0)
MnSO4 1.905e-10 2.225e-10 -9.720 -9.653 0.067 22.54
MnCl2 9.314e-11 1.088e-10 -10.031 -9.963 0.067 85.89
MnHCO3+ 6.475e-11 4.294e-11 -10.189 -10.367 -0.178 (0)
MnCl3- 1.612e-11 1.069e-11 -10.793 -10.971 -0.178 (0)
MnCl3- 1.612e-11 1.069e-11 -10.793 -10.971 -0.178 45.79
MnOH+ 3.031e-12 2.010e-12 -11.518 -11.697 -0.178 (0)
Mn(OH)3- 4.949e-20 3.282e-20 -19.305 -19.484 -0.178 (0)
Mn(NO3)2 1.325e-20 1.548e-20 -19.878 -19.810 0.067 (0)
Mn(NO3)2 1.325e-20 1.548e-20 -19.878 -19.810 0.067 41.04
Mn(3) 5.279e-26
Mn+3 5.279e-26 4.195e-27 -25.277 -26.377 -1.100 (0)
N(-3) 1.724e-06
NH4+ 1.610e-06 9.048e-07 -5.793 -6.043 -0.250 18.44
NH3 7.326e-08 8.557e-08 -7.135 -7.068 0.067 24.46
NH4SO4- 4.064e-08 3.035e-08 -7.391 -7.518 -0.127 (0)
NH3 7.326e-08 8.557e-08 -7.135 -7.068 0.067 24.42
NH4SO4- 4.064e-08 3.035e-08 -7.391 -7.518 -0.127 39.98
N(5) 4.847e-06
NO3- 4.847e-06 2.844e-06 -5.314 -5.546 -0.232 30.29
Mn(NO3)2 1.325e-20 1.548e-20 -19.878 -19.810 0.067 (0)
Mn(NO3)2 1.325e-20 1.548e-20 -19.878 -19.810 0.067 41.04
Na 4.854e-01
Na+ 4.785e-01 3.434e-01 -0.320 -0.464 -0.144 -0.50
NaSO4- 6.637e-03 4.482e-03 -2.178 -2.349 -0.171 21.21
@ -252,13 +252,13 @@ S(6) 2.926e-02
NaSO4- 6.637e-03 4.482e-03 -2.178 -2.349 -0.171 21.21
CaSO4 9.548e-04 1.115e-03 -3.020 -2.953 0.067 7.50
KSO4- 1.756e-04 1.186e-04 -3.755 -3.926 -0.171 34.85
NH4SO4- 4.064e-08 3.035e-08 -7.391 -7.518 -0.127 (0)
NH4SO4- 4.064e-08 3.035e-08 -7.391 -7.518 -0.127 39.98
HSO4- 2.042e-09 1.525e-09 -8.690 -8.817 -0.127 40.96
MnSO4 1.905e-10 2.225e-10 -9.720 -9.653 0.067 4.99
MnSO4 1.905e-10 2.225e-10 -9.720 -9.653 0.067 22.54
CaHSO4+ 5.915e-11 4.418e-11 -10.228 -10.355 -0.127 (0)
FeSO4+ 1.174e-18 7.786e-19 -17.930 -18.109 -0.178 (0)
Fe(SO4)2- 5.939e-20 4.436e-20 -19.226 -19.353 -0.127 (0)
FeSO4 4.443e-20 5.190e-20 -19.352 -19.285 0.067 (0)
FeSO4 4.443e-20 5.190e-20 -19.352 -19.285 0.067 18.97
FeHSO4+2 4.038e-26 1.256e-26 -25.394 -25.901 -0.507 (0)
FeHSO4+ 2.753e-27 2.056e-27 -26.560 -26.687 -0.127 (0)
Si 7.382e-05
@ -328,6 +328,6 @@ Reading input data for simulation 2.
------------------------------------
------------------------------
End of Run after 0.02 Seconds.
End of Run after 0.01 Seconds.
------------------------------

2
ex11.out
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@ -212,6 +212,6 @@ Reading input data for simulation 3.
WARNING: Cell-lengths were read for 1 cells. Last value is used till cell 40.
WARNING: Dispersivities were read for 1 cells. Last value is used till cell 40.
------------------------------
End of Run after 4.01 Seconds.
End of Run after 4.28 Seconds.
------------------------------

2
ex12.out
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@ -53,6 +53,6 @@ Reading input data for simulation 1.
WARNING: Cell-lengths were read for 1 cells. Last value is used till cell 60.
WARNING: Dispersivities were read for 1 cells. Last value is used till cell 60.
------------------------------
End of Run after 1.44 Seconds.
End of Run after 1.53 Seconds.
------------------------------

4
ex12a.out
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@ -1,4 +1,3 @@
WARNING: Database file from DATABASE keyword is used; command line argument ignored.
Input file: ../examples/ex12a
Output file: ex12a.out
Database file: ../database/phreeqc.dat
@ -20,7 +19,6 @@ Reading data base.
Reading input data for simulation 1.
------------------------------------
database ../database/phreeqc.dat
TITLE Example 12a.--Advective and diffusive transport of heat and solutes.
Constant boundary condition at one end, closed at other.
The problem is designed so that temperature should equal Na-conc
@ -167,6 +165,6 @@ WARNING: No dispersivities were read; disp = 0 assumed.
8.5000e+00 3.8231e-06 2.9867e-07 -2.2212e-09 -8.8983e-11
------------------------------
End of Run after 1.28 Seconds.
End of Run after 1.34 Seconds.
------------------------------

8
ex13a.out
View File

@ -258,7 +258,7 @@ K 1.000e-03
K+ 1.000e-03 9.649e-04 -3.000 -3.016 -0.016 9.01
N(-3) 0.000e+00
NH4+ 0.000e+00 0.000e+00 -62.898 -62.914 -0.016 17.96
NH3 0.000e+00 0.000e+00 -65.158 -65.158 0.000 24.46
NH3 0.000e+00 0.000e+00 -65.158 -65.158 0.000 24.42
N(0) 1.351e-19
N2 6.757e-20 6.759e-20 -19.170 -19.170 0.000 29.29
N(3) 2.120e-16
@ -336,7 +336,7 @@ WARNING: Dispersivities were read for 1 cells. Last value is used till cell 20.
20 GRAPH_Y TOT("Na")*1000 TOT("Cl")*1000
-end
END
-----------------------------
End of Run after 0.2 Seconds.
-----------------------------
------------------------------
End of Run after 0.21 Seconds.
------------------------------

4
ex13ac.out
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@ -258,7 +258,7 @@ K 1.000e-03
K+ 1.000e-03 9.649e-04 -3.000 -3.016 -0.016 9.01
N(-3) 0.000e+00
NH4+ 0.000e+00 0.000e+00 -62.898 -62.914 -0.016 17.96
NH3 0.000e+00 0.000e+00 -65.158 -65.158 0.000 24.46
NH3 0.000e+00 0.000e+00 -65.158 -65.158 0.000 24.42
N(0) 1.351e-19
N2 6.757e-20 6.759e-20 -19.170 -19.170 0.000 29.29
N(3) 2.120e-16
@ -848,6 +848,6 @@ WARNING: Dispersivities were read for 1 cells. Last value is used till cell 20.
-end
END
------------------------------
End of Run after 0.57 Seconds.
End of Run after 0.61 Seconds.
------------------------------

4
ex13b.out
View File

@ -258,7 +258,7 @@ K 1.000e-03
K+ 1.000e-03 9.649e-04 -3.000 -3.016 -0.016 9.01
N(-3) 0.000e+00
NH4+ 0.000e+00 0.000e+00 -62.898 -62.914 -0.016 17.96
NH3 0.000e+00 0.000e+00 -65.158 -65.158 0.000 24.46
NH3 0.000e+00 0.000e+00 -65.158 -65.158 0.000 24.42
N(0) 1.351e-19
N2 6.757e-20 6.759e-20 -19.170 -19.170 0.000 29.29
N(3) 2.120e-16
@ -457,6 +457,6 @@ WARNING: Dispersivities were read for 1 cells. Last value is used till cell 20.
-end
END
------------------------------
End of Run after 0.19 Seconds.
End of Run after 0.21 Seconds.
------------------------------

4
ex13c.out
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@ -258,7 +258,7 @@ K 1.000e-03
K+ 1.000e-03 9.649e-04 -3.000 -3.016 -0.016 9.01
N(-3) 0.000e+00
NH4+ 0.000e+00 0.000e+00 -62.898 -62.914 -0.016 17.96
NH3 0.000e+00 0.000e+00 -65.158 -65.158 0.000 24.46
NH3 0.000e+00 0.000e+00 -65.158 -65.158 0.000 24.42
N(0) 1.351e-19
N2 6.757e-20 6.759e-20 -19.170 -19.170 0.000 29.29
N(3) 2.120e-16
@ -777,6 +777,6 @@ WARNING: Dispersivities were read for 1 cells. Last value is used till cell 20.
-end
END
------------------------------
End of Run after 0.39 Seconds.
End of Run after 0.41 Seconds.
------------------------------

2
ex14.out
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@ -1065,6 +1065,6 @@ Reading input data for simulation 6.
------------------------------------
------------------------------
End of Run after 0.24 Seconds.
End of Run after 0.25 Seconds.
------------------------------

2
ex15.out
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@ -213,6 +213,6 @@ WARNING: USER_PUNCH: Headings count does not match number of calls to PUNCH.
shifts 110
END
-------------------------------
End of Run after 11.41 Seconds.
End of Run after 12.24 Seconds.
-------------------------------

2
ex15a.out
View File

@ -190,6 +190,6 @@ WARNING: USER_PUNCH: Headings count does not match number of calls to PUNCH.
shifts 110
END
-------------------------------
End of Run after 11.46 Seconds.
End of Run after 12.29 Seconds.
-------------------------------

2
ex15b.out
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@ -187,6 +187,6 @@ WARNING: Dispersivities were read for 1 cells. Last value is used till cell 20.
shifts 110
END
-------------------------------
End of Run after 11.52 Seconds.
End of Run after 12.28 Seconds.
-------------------------------

2
ex16.out
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@ -442,6 +442,6 @@ Reading input data for simulation 2.
------------------------------------
------------------------------
End of Run after 0.04 Seconds.
End of Run after 0.03 Seconds.
------------------------------

10
ex17.out
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@ -118,7 +118,7 @@ Initial solution 1. Black Sea water
H+ 1.289e-08 1.000e-08 -7.890 -8.000 -0.110 0.00
H2O 5.551e+01 9.903e-01 1.744 -0.004 0.000 18.07
Br 4.401e-04
Br- 4.401e-04 3.006e-04 -3.356 -3.522 -0.166 25.36
Br- 4.401e-04 3.006e-04 -3.356 -3.522 -0.166 25.17
C(4) 8.425e-04
HCO3- 8.017e-04 4.931e-04 -3.096 -3.307 -0.211 25.91
CO3-2 1.603e-05 2.258e-06 -4.795 -5.646 -0.851 -1.35
@ -207,8 +207,8 @@ Initial solution 2. Composition during halite precipitation
pH = 5.000
pe = 4.000
Specific Conductance (uS/cm, 25 oC) = 599384
Density (g/cm3) = 1.27224
Volume (L) = 1.17695
Density (g/cm3) = 1.27230
Volume (L) = 1.17689
Activity of water = 0.680
Ionic strength = 1.111e+01
Mass of water (kg) = 1.000e+00
@ -234,7 +234,7 @@ Initial solution 2. Composition during halite precipitation
OH- 1.209e-08 6.888e-10 -7.918 -9.162 -1.244 11.12
H2O 5.551e+01 6.805e-01 1.744 -0.167 0.000 18.07
Br 3.785e-02
Br- 3.785e-02 4.959e-02 -1.422 -1.305 0.117 27.92
Br- 3.785e-02 4.959e-02 -1.422 -1.305 0.117 26.34
C(4) 7.178e-06
HCO3- 4.537e-06 3.388e-07 -5.343 -6.470 -1.127 46.24
CO2 2.568e-06 1.093e-05 -5.590 -4.961 0.629 29.09
@ -360,6 +360,6 @@ Reading input data for simulation 2.
------------------------------------
------------------------------
End of Run after 0.04 Seconds.
End of Run after 0.03 Seconds.
------------------------------

84
ex17b.out
View File

@ -120,7 +120,7 @@ Initial solution 1. Black Sea water
H+ 1.289e-08 1.000e-08 -7.890 -8.000 -0.110 0.00
H2O 5.551e+01 9.903e-01 1.744 -0.004 0.000 18.07
Br 4.401e-04
Br- 4.401e-04 3.006e-04 -3.356 -3.522 -0.166 25.36
Br- 4.401e-04 3.006e-04 -3.356 -3.522 -0.166 25.17
C(4) 8.425e-04
HCO3- 8.017e-04 4.931e-04 -3.096 -3.307 -0.211 25.91
CO3-2 1.603e-05 2.258e-06 -4.795 -5.646 -0.851 -1.35
@ -277,7 +277,7 @@ Polyhalite -9.67 -23.42 -13.74 0.000e+00 0 0.000e+00
H+ 1.289e-08 1.000e-08 -7.890 -8.000 -0.110 0.00
H2O 5.551e+01 9.903e-01 1.744 -0.004 0.000 18.07
Br 4.401e-04
Br- 4.401e-04 3.006e-04 -3.356 -3.522 -0.166 25.36
Br- 4.401e-04 3.006e-04 -3.356 -3.522 -0.166 25.17
C(4) 8.425e-04
HCO3- 8.017e-04 4.931e-04 -3.096 -3.307 -0.211 25.91
CO3-2 1.603e-05 2.258e-06 -4.795 -5.646 -0.851 -1.35
@ -430,7 +430,7 @@ Polyhalite -7.19 -20.94 -13.74 0.000e+00 0 0.000e+00
H+ 1.634e-08 1.433e-08 -7.787 -7.844 -0.057 0.00
H2O 5.551e+01 9.722e-01 1.744 -0.012 0.000 18.07
Br 1.252e-03
Br- 1.252e-03 7.919e-04 -2.902 -3.101 -0.199 25.75
Br- 1.252e-03 7.919e-04 -2.902 -3.101 -0.199 25.47
C(4) 7.164e-04
HCO3- 6.690e-04 3.379e-04 -3.175 -3.471 -0.297 27.45
CO3-2 1.911e-05 1.080e-06 -4.719 -5.967 -1.248 0.62
@ -583,7 +583,7 @@ Polyhalite -6.63 -20.37 -13.74 0.000e+00 0 0.000e+00
H+ 1.728e-08 1.624e-08 -7.762 -7.789 -0.027 0.00
H2O 5.551e+01 9.647e-01 1.744 -0.016 0.000 18.07
Br 1.575e-03
Br- 1.575e-03 9.886e-04 -2.803 -3.005 -0.202 25.87
Br- 1.575e-03 9.886e-04 -2.803 -3.005 -0.202 25.56
C(4) 6.624e-04
HCO3- 6.149e-04 2.957e-04 -3.211 -3.529 -0.318 28.02
MgCO3 1.952e-05 1.952e-05 -4.710 -4.710 0.000 -17.09
@ -736,7 +736,7 @@ Polyhalite -5.86 -19.61 -13.74 0.000e+00 0 0.000e+00
H+ 1.834e-08 1.964e-08 -7.737 -7.707 0.030 0.00
H2O 5.551e+01 9.516e-01 1.744 -0.022 0.000 18.07
Br 2.123e-03
Br- 2.123e-03 1.332e-03 -2.673 -2.875 -0.202 26.05
Br- 2.123e-03 1.332e-03 -2.673 -2.875 -0.202 25.67
C(4) 5.846e-04
HCO3- 5.376e-04 2.413e-04 -3.270 -3.617 -0.348 28.97
MgCO3 2.035e-05 2.035e-05 -4.691 -4.691 0.000 -17.09
@ -889,7 +889,7 @@ Polyhalite -4.84 -18.59 -13.74 0.000e+00 0 0.000e+00
H+ 1.781e-08 2.576e-08 -7.749 -7.589 0.160 0.00
H2O 5.551e+01 9.227e-01 1.744 -0.035 0.000 18.07
Br 3.255e-03
Br- 3.255e-03 2.104e-03 -2.487 -2.677 -0.190 26.34
Br- 3.255e-03 2.104e-03 -2.487 -2.677 -0.190 25.84
C(4) 5.008e-04
HCO3- 4.495e-04 1.783e-04 -3.347 -3.749 -0.401 30.81
MgCO3 2.572e-05 2.572e-05 -4.590 -4.590 0.000 -17.09
@ -1015,7 +1015,7 @@ Polyhalite -4.62 -18.36 -13.74 0.000e+00 0 0.000e+00
pH = 7.567 Charge balance
pe = 4.000 Adjusted to redox equilibrium
Specific Conductance (uS/cm, 25 oC) = 174494
Density (g/cm3) = 1.10239
Density (g/cm3) = 1.10240
Volume (L) = 0.12397
Activity of water = 0.909
Ionic strength = 3.137e+00
@ -1042,7 +1042,7 @@ Polyhalite -4.62 -18.36 -13.74 0.000e+00 0 0.000e+00
H+ 1.625e-08 2.710e-08 -7.789 -7.567 0.222 0.00
H2O 5.551e+01 9.093e-01 1.744 -0.041 0.000 18.07
Br 3.756e-03
Br- 3.756e-03 2.477e-03 -2.425 -2.606 -0.181 26.45
Br- 3.756e-03 2.477e-03 -2.425 -2.606 -0.181 25.90
C(4) 5.041e-04
HCO3- 4.452e-04 1.671e-04 -3.351 -3.777 -0.426 31.57
MgCO3 3.217e-05 3.217e-05 -4.493 -4.493 0.000 -17.09
@ -1195,7 +1195,7 @@ Polyhalite -4.33 -18.08 -13.74 0.000e+00 0 0.000e+00
H+ 1.422e-08 2.895e-08 -7.847 -7.538 0.309 0.00
H2O 5.551e+01 8.902e-01 1.744 -0.051 0.000 18.07
Br 4.440e-03
Br- 4.440e-03 3.023e-03 -2.353 -2.520 -0.167 26.59
Br- 4.440e-03 3.023e-03 -2.353 -2.520 -0.167 25.97
C(4) 5.122e-04
HCO3- 4.407e-04 1.531e-04 -3.356 -3.815 -0.459 32.59
MgCO3 4.340e-05 4.340e-05 -4.363 -4.363 0.000 -17.09
@ -1348,7 +1348,7 @@ Polyhalite -3.94 -17.68 -13.74 0.000e+00 0 0.000e+00
H+ 1.157e-08 3.168e-08 -7.937 -7.499 0.438 0.00
H2O 5.551e+01 8.610e-01 1.744 -0.065 0.000 18.07
Br 5.429e-03
Br- 5.429e-03 3.896e-03 -2.265 -2.409 -0.144 26.77
Br- 5.429e-03 3.896e-03 -2.265 -2.409 -0.144 26.05
C(4) 5.348e-04
HCO3- 4.384e-04 1.353e-04 -3.358 -3.869 -0.511 34.06
MgCO3 6.664e-05 6.664e-05 -4.176 -4.176 0.000 -17.09
@ -1474,7 +1474,7 @@ Polyhalite -3.34 -17.08 -13.74 0.000e+00 0 0.000e+00
pH = 7.443 Charge balance
pe = 4.000 Adjusted to redox equilibrium
Specific Conductance (uS/cm, 25 oC) = 361202
Density (g/cm3) = 1.17415
Density (g/cm3) = 1.17416
Volume (L) = 0.06982
Activity of water = 0.812
Ionic strength = 5.662e+00
@ -1501,7 +1501,7 @@ Polyhalite -3.34 -17.08 -13.74 0.000e+00 0 0.000e+00
H+ 8.144e-09 3.609e-08 -8.089 -7.443 0.647 0.00
H2O 5.551e+01 8.116e-01 1.744 -0.091 0.000 18.07
Br 6.984e-03
Br- 6.984e-03 5.509e-03 -2.156 -2.259 -0.103 27.02
Br- 6.984e-03 5.509e-03 -2.156 -2.259 -0.103 26.15
C(4) 6.101e-04
HCO3- 4.476e-04 1.120e-04 -3.349 -3.951 -0.602 36.32
MgCO3 1.312e-04 1.312e-04 -3.882 -3.882 0.000 -17.09
@ -1627,7 +1627,7 @@ Polyhalite -2.39 -16.13 -13.74 0.000e+00 0 0.000e+00
pH = 7.386 Charge balance
pe = 4.000 Adjusted to redox equilibrium
Specific Conductance (uS/cm, 25 oC) = 467675
Density (g/cm3) = 1.21570
Density (g/cm3) = 1.21571
Volume (L) = 0.05135
Activity of water = 0.741
Ionic strength = 7.348e+00
@ -1654,7 +1654,7 @@ Polyhalite -2.39 -16.13 -13.74 0.000e+00 0 0.000e+00
H+ 4.789e-09 4.109e-08 -8.320 -7.386 0.933 0.00
H2O 5.551e+01 7.407e-01 1.744 -0.130 0.000 18.07
Br 9.785e-03
Br- 9.785e-03 8.941e-03 -2.009 -2.049 -0.039 27.34
Br- 9.785e-03 8.941e-03 -2.009 -2.049 -0.039 26.24
C(4) 9.189e-04
HCO3- 5.085e-04 8.977e-05 -3.294 -4.047 -0.753 39.43
MgCO3 3.749e-04 3.749e-04 -3.426 -3.426 0.000 -17.09
@ -1780,7 +1780,7 @@ Polyhalite -1.50 -15.24 -13.74 0.000e+00 0 0.000e+00
pH = 7.401 Charge balance
pe = 4.000 Adjusted to redox equilibrium
Specific Conductance (uS/cm, 25 oC) = 485346
Density (g/cm3) = 1.22309
Density (g/cm3) = 1.22311
Volume (L) = 0.03086
Activity of water = 0.731
Ionic strength = 8.005e+00
@ -1807,7 +1807,7 @@ Polyhalite -1.50 -15.24 -13.74 0.000e+00 0 0.000e+00
H+ 4.074e-09 3.973e-08 -8.390 -7.401 0.989 0.00
H2O 5.551e+01 7.309e-01 1.744 -0.136 0.000 18.07
Br 1.628e-02
Br- 1.628e-02 1.610e-02 -1.788 -1.793 -0.005 27.45
Br- 1.628e-02 1.610e-02 -1.788 -1.793 -0.005 26.27
C(4) 1.492e-03
MgCO3 8.259e-04 8.259e-04 -3.083 -3.083 0.000 -17.09
HCO3- 5.979e-04 9.160e-05 -3.223 -4.038 -0.815 40.62
@ -1933,7 +1933,7 @@ Polyhalite -1.16 -14.90 -13.74 0.000e+00 0 0.000e+00
pH = 7.403 Charge balance
pe = 4.000 Adjusted to redox equilibrium
Specific Conductance (uS/cm, 25 oC) = 496096
Density (g/cm3) = 1.22701
Density (g/cm3) = 1.22704
Volume (L) = 0.02575
Activity of water = 0.725
Ionic strength = 8.343e+00
@ -1960,7 +1960,7 @@ Polyhalite -1.16 -14.90 -13.74 0.000e+00 0 0.000e+00
H+ 3.767e-09 3.950e-08 -8.424 -7.403 1.021 0.00
H2O 5.551e+01 7.253e-01 1.744 -0.139 0.000 18.07
Br 1.952e-02
Br- 1.952e-02 2.007e-02 -1.709 -1.698 0.012 27.50
Br- 1.952e-02 2.007e-02 -1.709 -1.698 0.012 26.28
C(4) 1.865e-03
MgCO3 1.127e-03 1.127e-03 -2.948 -2.948 0.000 -17.09
HCO3- 6.448e-04 9.143e-05 -3.191 -4.039 -0.848 41.23
@ -2086,7 +2086,7 @@ Polyhalite -0.70 -14.45 -13.74 0.000e+00 0 0.000e+00
pH = 7.407 Charge balance
pe = 4.000 Adjusted to redox equilibrium
Specific Conductance (uS/cm, 25 oC) = 515479
Density (g/cm3) = 1.23366
Density (g/cm3) = 1.23370
Volume (L) = 0.02064
Activity of water = 0.716
Ionic strength = 8.880e+00
@ -2113,7 +2113,7 @@ Polyhalite -0.70 -14.45 -13.74 0.000e+00 0 0.000e+00
H+ 3.315e-09 3.916e-08 -8.480 -7.407 1.072 0.00
H2O 5.551e+01 7.159e-01 1.744 -0.145 0.000 18.07
Br 2.438e-02
Br- 2.438e-02 2.655e-02 -1.613 -1.576 0.037 27.59
Br- 2.438e-02 2.655e-02 -1.613 -1.576 0.037 26.30
C(4) 2.608e-03
MgCO3 1.731e-03 1.731e-03 -2.762 -2.762 0.000 -17.09
HCO3- 7.295e-04 9.102e-05 -3.137 -4.041 -0.904 42.22
@ -2239,7 +2239,7 @@ Polyhalite -0.26 -14.00 -13.74 0.000e+00 0 0.000e+00
pH = 7.411 Charge balance
pe = 4.000 Adjusted to redox equilibrium
Specific Conductance (uS/cm, 25 oC) = 539689
Density (g/cm3) = 1.24200
Density (g/cm3) = 1.24205
Volume (L) = 0.01706
Activity of water = 0.704
Ionic strength = 9.502e+00
@ -2266,7 +2266,7 @@ Polyhalite -0.26 -14.00 -13.74 0.000e+00 0 0.000e+00
H+ 2.846e-09 3.882e-08 -8.546 -7.411 1.135 0.00
H2O 5.551e+01 7.043e-01 1.744 -0.152 0.000 18.07
Br 2.958e-02
Br- 2.958e-02 3.427e-02 -1.529 -1.465 0.064 27.69
Br- 2.958e-02 3.427e-02 -1.529 -1.465 0.064 26.31
C(4) 3.745e-03
MgCO3 2.662e-03 2.662e-03 -2.575 -2.575 0.000 -17.09
HCO3- 8.456e-04 9.033e-05 -3.073 -4.044 -0.971 43.35
@ -2392,7 +2392,7 @@ Polyhalite -0.11 -13.85 -13.74 0.000e+00 0 0.000e+00
pH = 7.412 Charge balance
pe = 4.000 Adjusted to redox equilibrium
Specific Conductance (uS/cm, 25 oC) = 549090
Density (g/cm3) = 1.24544
Density (g/cm3) = 1.24549
Volume (L) = 0.01605
Activity of water = 0.700
Ionic strength = 9.745e+00
@ -2419,7 +2419,7 @@ Polyhalite -0.11 -13.85 -13.74 0.000e+00 0 0.000e+00
H+ 2.679e-09 3.871e-08 -8.572 -7.412 1.160 0.00
H2O 5.551e+01 6.996e-01 1.744 -0.155 0.000 18.07
Br 3.149e-02
Br- 3.149e-02 3.734e-02 -1.502 -1.428 0.074 27.72
Br- 3.149e-02 3.734e-02 -1.502 -1.428 0.074 26.32
C(4) 4.284e-03
MgCO3 3.106e-03 3.106e-03 -2.508 -2.508 0.000 -17.09
HCO3- 8.971e-04 9.000e-05 -3.047 -4.046 -0.999 43.77
@ -2545,7 +2545,7 @@ Polyhalite 0.00 -13.74 -13.74 0.000e+00 1.531e-04 1.531e-04
pH = 7.413 Charge balance
pe = 4.000 Adjusted to redox equilibrium
Specific Conductance (uS/cm, 25 oC) = 557786
Density (g/cm3) = 1.24875
Density (g/cm3) = 1.24881
Volume (L) = 0.01502
Activity of water = 0.695
Ionic strength = 9.989e+00
@ -2572,7 +2572,7 @@ Polyhalite 0.00 -13.74 -13.74 0.000e+00 1.531e-04 1.531e-04
H+ 2.523e-09 3.866e-08 -8.598 -7.413 1.185 0.00
H2O 5.551e+01 6.949e-01 1.744 -0.158 0.000 18.07
Br 3.368e-02
Br- 3.368e-02 4.086e-02 -1.473 -1.389 0.084 27.76
Br- 3.368e-02 4.086e-02 -1.473 -1.389 0.084 26.32
C(4) 4.922e-03
MgCO3 3.630e-03 3.630e-03 -2.440 -2.440 0.000 -17.09
HCO3- 9.538e-04 8.949e-05 -3.021 -4.048 -1.028 44.21
@ -2698,8 +2698,8 @@ Polyhalite 0.00 -13.74 -13.74 1.531e-04 5.434e-04 3.903e-04
pH = 7.412 Charge balance
pe = 4.000 Adjusted to redox equilibrium
Specific Conductance (uS/cm, 25 oC) = 563765
Density (g/cm3) = 1.25142
Volume (L) = 0.01398
Density (g/cm3) = 1.25148
Volume (L) = 0.01397
Activity of water = 0.691
Ionic strength = 1.021e+01
Mass of water (kg) = 1.215e-02
@ -2725,7 +2725,7 @@ Polyhalite 0.00 -13.74 -13.74 1.531e-04 5.434e-04 3.903e-04
H+ 2.395e-09 3.875e-08 -8.621 -7.412 1.209 0.00
H2O 5.551e+01 6.907e-01 1.744 -0.161 0.000 18.07
Br 3.621e-02
Br- 3.621e-02 4.484e-02 -1.441 -1.348 0.093 27.79
Br- 3.621e-02 4.484e-02 -1.441 -1.348 0.093 26.33
C(4) 5.631e-03
MgCO3 4.212e-03 4.212e-03 -2.376 -2.376 0.000 -17.09
HCO3- 1.011e-03 8.874e-05 -2.995 -4.052 -1.056 44.61
@ -2851,7 +2851,7 @@ Polyhalite 0.00 -13.74 -13.74 5.434e-04 9.115e-04 3.681e-04
pH = 7.411 Charge balance
pe = 4.000 Adjusted to redox equilibrium
Specific Conductance (uS/cm, 25 oC) = 571889
Density (g/cm3) = 1.25491
Density (g/cm3) = 1.25498
Volume (L) = 0.01293
Activity of water = 0.685
Ionic strength = 1.048e+01
@ -2878,7 +2878,7 @@ Polyhalite 0.00 -13.74 -13.74 5.434e-04 9.115e-04 3.681e-04
H+ 2.246e-09 3.886e-08 -8.649 -7.411 1.238 0.00
H2O 5.551e+01 6.853e-01 1.744 -0.164 0.000 18.07
Br 3.915e-02
Br- 3.915e-02 4.968e-02 -1.407 -1.304 0.103 27.83
Br- 3.915e-02 4.968e-02 -1.407 -1.304 0.103 26.33
C(4) 6.609e-03
MgCO3 5.015e-03 5.015e-03 -2.300 -2.300 0.000 -17.09
HCO3- 1.086e-03 8.781e-05 -2.964 -4.056 -1.092 45.10
@ -3004,7 +3004,7 @@ Polyhalite 0.00 -13.74 -13.74 9.115e-04 1.120e-03 2.086e-04
pH = 7.410 Charge balance
pe = 4.000 Adjusted to redox equilibrium
Specific Conductance (uS/cm, 25 oC) = 578198
Density (g/cm3) = 1.25755
Density (g/cm3) = 1.25762
Volume (L) = 0.01231
Activity of water = 0.681
Ionic strength = 1.068e+01
@ -3031,7 +3031,7 @@ Polyhalite 0.00 -13.74 -13.74 9.115e-04 1.120e-03 2.086e-04
H+ 2.144e-09 3.893e-08 -8.669 -7.410 1.259 0.00
H2O 5.551e+01 6.814e-01 1.744 -0.167 0.000 18.07
Br 4.116e-02
Br- 4.116e-02 5.313e-02 -1.385 -1.275 0.111 27.86
Br- 4.116e-02 5.313e-02 -1.385 -1.275 0.111 26.33
C(4) 7.390e-03
MgCO3 5.657e-03 5.657e-03 -2.247 -2.247 0.000 -17.09
HCO3- 1.144e-03 8.714e-05 -2.942 -4.060 -1.118 45.45
@ -3157,7 +3157,7 @@ Polyhalite 0.00 -13.74 -13.74 1.120e-03 1.318e-03 1.981e-04
pH = 7.409 Charge balance
pe = 4.000 Adjusted to redox equilibrium
Specific Conductance (uS/cm, 25 oC) = 585961
Density (g/cm3) = 1.26072
Density (g/cm3) = 1.26080
Volume (L) = 0.01168
Activity of water = 0.677
Ionic strength = 1.091e+01
@ -3184,7 +3184,7 @@ Polyhalite 0.00 -13.74 -13.74 1.120e-03 1.318e-03 1.981e-04
H+ 2.032e-09 3.901e-08 -8.692 -7.409 1.283 0.00
H2O 5.551e+01 6.767e-01 1.744 -0.170 0.000 18.07
Br 4.340e-02
Br- 4.340e-02 5.710e-02 -1.363 -1.243 0.119 27.89
Br- 4.340e-02 5.710e-02 -1.363 -1.243 0.119 26.34
C(4) 8.382e-03
MgCO3 6.472e-03 6.472e-03 -2.189 -2.189 0.000 -17.09
HCO3- 1.216e-03 8.636e-05 -2.915 -4.064 -1.149 45.86
@ -3310,7 +3310,7 @@ Polyhalite -0.00 -13.74 -13.74 1.318e-03 1.492e-03 1.736e-04
pH = 7.403 Charge balance
pe = 4.000 Adjusted to redox equilibrium
Specific Conductance (uS/cm, 25 oC) = 595557
Density (g/cm3) = 1.26402
Density (g/cm3) = 1.26411
Volume (L) = 0.01106
Activity of water = 0.671
Ionic strength = 1.116e+01
@ -3337,7 +3337,7 @@ Polyhalite -0.00 -13.74 -13.74 1.318e-03 1.492e-03 1.736e-04
H+ 1.920e-09 3.950e-08 -8.717 -7.403 1.313 0.00
H2O 5.551e+01 6.709e-01 1.744 -0.173 0.000 18.07
Br 4.586e-02
Br- 4.586e-02 6.163e-02 -1.339 -1.210 0.128 27.93
Br- 4.586e-02 6.163e-02 -1.339 -1.210 0.128 26.34
C(4) 9.554e-03
MgCO3 7.444e-03 7.444e-03 -2.128 -2.128 0.000 -17.09
HCO3- 1.291e-03 8.458e-05 -2.889 -4.073 -1.184 46.32
@ -3469,7 +3469,7 @@ Polyhalite 0.00 -13.74 -13.74 1.492e-03 1.618e-03 1.263e-04
pH = 7.389 Charge balance
pe = 4.000 Adjusted to redox equilibrium
Specific Conductance (uS/cm, 25 oC) = 606232
Density (g/cm3) = 1.26644
Density (g/cm3) = 1.26653
Volume (L) = 0.01050
Activity of water = 0.664
Ionic strength = 1.138e+01
@ -3496,7 +3496,7 @@ Polyhalite 0.00 -13.74 -13.74 1.492e-03 1.618e-03 1.263e-04
H+ 1.834e-09 4.087e-08 -8.737 -7.389 1.348 0.00
H2O 5.551e+01 6.640e-01 1.744 -0.178 0.000 18.07
Br 4.833e-02
Br- 4.833e-02 6.625e-02 -1.316 -1.179 0.137 27.96
Br- 4.833e-02 6.625e-02 -1.316 -1.179 0.137 26.34
C(4) 1.066e-02
MgCO3 8.384e-03 8.384e-03 -2.077 -2.077 0.000 -17.09
HCO3- 1.343e-03 8.091e-05 -2.872 -4.092 -1.220 46.72
@ -3622,7 +3622,7 @@ Polyhalite 0.00 -13.74 -13.74 1.618e-03 1.729e-03 1.111e-04
pH = 7.377 Charge balance
pe = 4.000 Adjusted to redox equilibrium
Specific Conductance (uS/cm, 25 oC) = 620656
Density (g/cm3) = 1.26980
Density (g/cm3) = 1.26990
Volume (L) = 0.00991
Activity of water = 0.655
Ionic strength = 1.166e+01
@ -3649,7 +3649,7 @@ Polyhalite 0.00 -13.74 -13.74 1.618e-03 1.729e-03 1.111e-04
H+ 1.702e-09 4.193e-08 -8.769 -7.377 1.392 0.00
H2O 5.551e+01 6.552e-01 1.744 -0.184 0.000 18.07
Br 5.120e-02
Br- 5.120e-02 7.192e-02 -1.291 -1.143 0.148 28.00
Br- 5.120e-02 7.192e-02 -1.291 -1.143 0.148 26.34
C(4) 1.253e-02
MgCO3 9.970e-03 9.970e-03 -2.001 -2.001 0.000 -17.09
HCO3- 1.436e-03 7.781e-05 -2.843 -4.109 -1.266 47.22
@ -3728,6 +3728,6 @@ Reading input data for simulation 2.
------------------------------------
------------------------------
End of Run after 0.35 Seconds.
End of Run after 0.36 Seconds.
------------------------------

10
ex18.out
View File

@ -166,7 +166,7 @@ Fe(2) 1.000e-06
Fe+2 7.296e-07 5.297e-07 -6.137 -6.276 -0.139 -23.20
FeHCO3+ 2.086e-07 1.919e-07 -6.681 -6.717 -0.036 (0)
FeCO3 5.287e-08 5.295e-08 -7.277 -7.276 0.001 (0)
FeSO4 6.907e-09 6.917e-09 -8.161 -8.160 0.001 (0)
FeSO4 6.907e-09 6.917e-09 -8.161 -8.160 0.001 39.09
FeOH+ 1.965e-09 1.811e-09 -8.707 -8.742 -0.036 (0)
FeCl+ 1.461e-11 1.344e-11 -10.835 -10.872 -0.036 (0)
Fe(OH)2 1.369e-13 1.371e-13 -12.864 -12.863 0.001 (0)
@ -197,7 +197,7 @@ S(6) 1.600e-04
MgSO4 1.070e-05 1.071e-05 -4.971 -4.970 0.001 5.11
KSO4- 1.042e-08 9.604e-09 -7.982 -8.018 -0.035 33.57
NaSO4- 8.867e-09 8.175e-09 -8.052 -8.087 -0.035 14.34
FeSO4 6.907e-09 6.917e-09 -8.161 -8.160 0.001 (0)
FeSO4 6.907e-09 6.917e-09 -8.161 -8.160 0.001 39.09
HSO4- 2.151e-10 1.978e-10 -9.667 -9.704 -0.036 38.92
CaHSO4+ 2.152e-12 1.980e-12 -11.667 -11.703 -0.036 (0)
FeHSO4+ 1.370e-15 1.260e-15 -14.863 -14.900 -0.036 (0)
@ -298,7 +298,7 @@ Cl 1.785e-02
Fe(2) 4.000e-07
Fe(HS)2 2.820e-07 2.869e-07 -6.550 -6.542 0.007 (0)
Fe+2 6.004e-08 2.465e-08 -7.222 -7.608 -0.387 -19.93
FeSO4 3.991e-08 4.059e-08 -7.399 -7.392 0.007 (0)
FeSO4 3.991e-08 4.059e-08 -7.399 -7.392 0.007 -6.81
FeHCO3+ 1.176e-08 9.225e-09 -7.930 -8.035 -0.105 (0)
Fe(HS)3- 4.549e-09 3.569e-09 -8.342 -8.447 -0.105 (0)
FeCO3 6.456e-10 6.567e-10 -9.190 -9.183 0.007 (0)
@ -339,7 +339,7 @@ S(6) 1.986e-02
NaSO4- 9.526e-04 7.564e-04 -3.021 -3.121 -0.100 13.56
KSO4- 1.472e-04 1.169e-04 -3.832 -3.932 -0.100 34.54
HSO4- 3.882e-07 3.046e-07 -6.411 -6.516 -0.105 41.70
FeSO4 3.991e-08 4.059e-08 -7.399 -7.392 0.007 (0)
FeSO4 3.991e-08 4.059e-08 -7.399 -7.392 0.007 -6.81
CaHSO4+ 1.417e-08 1.112e-08 -7.849 -7.954 -0.105 (0)
FeHSO4+ 1.150e-13 9.027e-14 -12.939 -13.044 -0.105 (0)
@ -559,6 +559,6 @@ Reading input data for simulation 2.
------------------------------------
------------------------------
End of Run after 0.08 Seconds.
End of Run after 0.07 Seconds.
------------------------------

2
ex19.out
View File

@ -69,6 +69,6 @@ Reading input data for simulation 1.
PRINT
reset false
------------------------------
End of Run after 0.03 Seconds.
End of Run after 0.02 Seconds.
------------------------------

2
ex19b.out
View File

@ -23,6 +23,6 @@ Reading input data for simulation 1.
PRINT
reset false
------------------------------
End of Run after 0.13 Seconds.
End of Run after 0.12 Seconds.
------------------------------

2
ex20a.out
View File

@ -451,6 +451,6 @@ Reading input data for simulation 4.
------------------------------------
------------------------------
End of Run after 0.16 Seconds.
End of Run after 0.15 Seconds.
------------------------------

2
ex20b.out
View File

@ -53631,6 +53631,6 @@ Reading input data for simulation 114.
--------------------------------------
------------------------------
End of Run after 1.34 Seconds.
End of Run after 1.36 Seconds.
------------------------------

2
ex21.out
View File

@ -961,6 +961,6 @@ WARNING: No dispersivities were read; disp = 0 assumed.
END
END
-------------------------------
End of Run after 21.15 Seconds.
End of Run after 21.65 Seconds.
-------------------------------

2
ex2b.out
View File

@ -24,6 +24,6 @@ Reading input data for simulation 1.
PRINT
reset false
------------------------------
End of Run after 0.04 Seconds.
End of Run after 0.03 Seconds.
------------------------------

2
ex3.out
View File

@ -819,6 +819,6 @@ Reading input data for simulation 6.
------------------------------------
------------------------------
End of Run after 0.02 Seconds.
End of Run after 0.01 Seconds.
------------------------------

20
ex4.out
View File

@ -129,8 +129,8 @@ Mg 1.769e-06
MgCO3 3.674e-16 3.674e-16 -15.435 -15.435 0.000 -17.09
N(-3) 1.485e-05
NH4+ 1.485e-05 1.469e-05 -4.828 -4.833 -0.005 17.94
NH4SO4- 2.465e-09 2.439e-09 -8.608 -8.613 -0.005 (0)
NH3 2.646e-10 2.646e-10 -9.577 -9.577 0.000 24.46
NH4SO4- 2.465e-09 2.439e-09 -8.608 -8.613 -0.005 37.59
NH3 2.646e-10 2.646e-10 -9.577 -9.577 0.000 24.42
N(5) 1.692e-05
NO3- 1.692e-05 1.674e-05 -4.772 -4.776 -0.005 29.47
Na 6.133e-06
@ -146,7 +146,7 @@ S(6) 1.353e-05
HSO4- 4.007e-08 3.963e-08 -7.397 -7.402 -0.005 40.26
CaSO4 2.098e-08 2.098e-08 -7.678 -7.678 0.000 7.50
MgSO4 5.103e-09 5.103e-09 -8.292 -8.292 0.000 5.84
NH4SO4- 2.465e-09 2.439e-09 -8.608 -8.613 -0.005 (0)
NH4SO4- 2.465e-09 2.439e-09 -8.608 -8.613 -0.005 37.59
NaSO4- 3.962e-10 3.919e-10 -9.402 -9.407 -0.005 13.56
KSO4- 8.338e-11 8.248e-11 -10.079 -10.084 -0.005 34.08
CaHSO4+ 4.409e-12 4.361e-12 -11.356 -11.360 -0.005 (0)
@ -268,8 +268,8 @@ Mg 3.536e-05
MgCO3 2.499e-16 2.500e-16 -15.602 -15.602 0.000 -17.09
N(-3) 0.000e+00
NH4+ 0.000e+00 0.000e+00 -48.437 -48.457 -0.019 17.97
NH4SO4- 0.000e+00 0.000e+00 -51.008 -51.027 -0.019 (0)
NH3 0.000e+00 0.000e+00 -54.553 -54.553 0.000 24.46
NH4SO4- 0.000e+00 0.000e+00 -51.008 -51.027 -0.019 37.62
NH3 0.000e+00 0.000e+00 -54.553 -54.553 0.000 24.42
N(0) 4.751e-04
N2 2.375e-04 2.376e-04 -3.624 -3.624 0.000 29.29
N(3) 2.623e-15
@ -296,7 +296,7 @@ S(6) 2.706e-04
NaSO4- 1.281e-07 1.227e-07 -6.892 -6.911 -0.019 13.80
CaHSO4+ 2.832e-08 2.711e-08 -7.548 -7.567 -0.019 (0)
KSO4- 2.693e-08 2.580e-08 -7.570 -7.588 -0.019 34.11
NH4SO4- 0.000e+00 0.000e+00 -51.008 -51.027 -0.019 (0)
NH4SO4- 0.000e+00 0.000e+00 -51.008 -51.027 -0.019 37.62
------------------------------Saturation indices-------------------------------
@ -427,8 +427,8 @@ Mg 3.536e-05
MgCO3 2.499e-16 2.500e-16 -15.602 -15.602 0.000 -17.09
N(-3) 0.000e+00
NH4+ 0.000e+00 0.000e+00 -48.437 -48.457 -0.019 17.97
NH4SO4- 0.000e+00 0.000e+00 -51.008 -51.027 -0.019 (0)
NH3 0.000e+00 0.000e+00 -54.553 -54.553 0.000 24.46
NH4SO4- 0.000e+00 0.000e+00 -51.008 -51.027 -0.019 37.62
NH3 0.000e+00 0.000e+00 -54.553 -54.553 0.000 24.42
N(0) 4.751e-04
N2 2.375e-04 2.376e-04 -3.624 -3.624 0.000 29.29
N(3) 2.623e-15
@ -455,7 +455,7 @@ S(6) 2.706e-04
NaSO4- 1.281e-07 1.227e-07 -6.892 -6.911 -0.019 13.80
CaHSO4+ 2.832e-08 2.711e-08 -7.548 -7.567 -0.019 (0)
KSO4- 2.693e-08 2.580e-08 -7.570 -7.588 -0.019 34.11
NH4SO4- 0.000e+00 0.000e+00 -51.008 -51.027 -0.019 (0)
NH4SO4- 0.000e+00 0.000e+00 -51.008 -51.027 -0.019 37.62
------------------------------Saturation indices-------------------------------
@ -490,6 +490,6 @@ Reading input data for simulation 3.
------------------------------------
------------------------------
End of Run after 0.02 Seconds.
End of Run after 0.01 Seconds.
------------------------------

24
ex5.out
View File

@ -208,7 +208,7 @@ Fe(2) 2.084e-08
FeHCO3+ 1.298e-09 1.243e-09 -8.887 -8.905 -0.019 (0)
FeOH+ 8.439e-10 8.089e-10 -9.074 -9.092 -0.018 (0)
Fe(OH)2 1.296e-12 1.296e-12 -11.888 -11.887 0.000 (0)
FeSO4 1.157e-13 1.157e-13 -12.937 -12.937 0.000 (0)
FeSO4 1.157e-13 1.157e-13 -12.937 -12.937 0.000 18.97
Fe(OH)3- 9.458e-15 9.065e-15 -14.024 -14.043 -0.018 (0)
Fe(HS)2 6.253e-17 6.255e-17 -16.204 -16.204 0.000 (0)
FeHSO4+ 4.217e-21 4.040e-21 -20.375 -20.394 -0.019 (0)
@ -237,7 +237,7 @@ S(-2) 2.479e-09
S(6) 6.024e-08
SO4-2 5.675e-08 4.789e-08 -7.246 -7.320 -0.074 14.54
CaSO4 3.490e-09 3.492e-09 -8.457 -8.457 0.000 7.50
FeSO4 1.157e-13 1.157e-13 -12.937 -12.937 0.000 (0)
FeSO4 1.157e-13 1.157e-13 -12.937 -12.937 0.000 18.97
HSO4- 2.582e-14 2.473e-14 -13.588 -13.607 -0.019 40.28
CaHSO4+ 1.272e-16 1.219e-16 -15.895 -15.914 -0.019 (0)
FeHSO4+ 4.217e-21 4.040e-21 -20.375 -20.394 -0.019 (0)
@ -372,7 +372,7 @@ Fe(2) 1.012e-08
Fe+2 8.152e-09 6.333e-09 -8.089 -8.198 -0.110 -22.04
FeCO3 7.445e-10 7.451e-10 -9.128 -9.128 0.000 (0)
FeHCO3+ 4.820e-10 4.515e-10 -9.317 -9.345 -0.028 (0)
FeSO4 4.238e-10 4.241e-10 -9.373 -9.372 0.000 (0)
FeSO4 4.238e-10 4.241e-10 -9.373 -9.372 0.000 18.97
FeOH+ 3.132e-10 2.937e-10 -9.504 -9.532 -0.028 (0)
FeCl+ 4.369e-12 4.093e-12 -11.360 -11.388 -0.028 (0)
Fe(OH)2 3.664e-13 3.667e-13 -12.436 -12.436 0.000 (0)
@ -414,7 +414,7 @@ S(6) 5.333e-04
SO4-2 4.872e-04 3.766e-04 -3.312 -3.424 -0.112 14.62
CaSO4 4.520e-05 4.523e-05 -4.345 -4.345 0.000 7.50
NaSO4- 9.408e-07 8.827e-07 -6.026 -6.054 -0.028 13.98
FeSO4 4.238e-10 4.241e-10 -9.373 -9.372 0.000 (0)
FeSO4 4.238e-10 4.241e-10 -9.373 -9.372 0.000 18.97
HSO4- 2.665e-10 2.496e-10 -9.574 -9.603 -0.028 40.30
CaHSO4+ 2.164e-12 2.027e-12 -11.665 -11.693 -0.028 (0)
FeHSO4+ 2.029e-17 1.901e-17 -16.693 -16.721 -0.028 (0)
@ -548,7 +548,7 @@ Cl 2.500e-03
FeCl3 1.761e-32 1.766e-32 -31.754 -31.753 0.001 (0)
Fe(2) 2.179e-08
Fe+2 1.735e-08 1.132e-08 -7.761 -7.946 -0.185 -21.90
FeSO4 2.887e-09 2.895e-09 -8.540 -8.538 0.001 (0)
FeSO4 2.887e-09 2.895e-09 -8.540 -8.538 0.001 18.97
FeHCO3+ 5.830e-10 5.209e-10 -9.234 -9.283 -0.049 (0)
FeCO3 5.530e-10 5.545e-10 -9.257 -9.256 0.001 (0)
FeOH+ 3.782e-10 3.388e-10 -9.422 -9.470 -0.048 (0)
@ -592,7 +592,7 @@ S(6) 2.667e-03
SO4-2 2.235e-03 1.438e-03 -2.651 -2.842 -0.192 14.81
CaSO4 4.138e-04 4.149e-04 -3.383 -3.382 0.001 7.50
NaSO4- 1.784e-05 1.601e-05 -4.749 -4.796 -0.047 14.42
FeSO4 2.887e-09 2.895e-09 -8.540 -8.538 0.001 (0)
FeSO4 2.887e-09 2.895e-09 -8.540 -8.538 0.001 18.97
HSO4- 1.654e-09 1.477e-09 -8.782 -8.831 -0.049 40.35
CaHSO4+ 3.226e-11 2.882e-11 -10.491 -10.540 -0.049 (0)
FeHSO4+ 2.251e-16 2.011e-16 -15.648 -15.697 -0.049 (0)
@ -726,7 +726,7 @@ Cl 5.000e-03
FeCl3 2.507e-31 2.521e-31 -30.601 -30.599 0.002 (0)
Fe(2) 3.536e-08
Fe+2 2.706e-08 1.570e-08 -7.568 -7.804 -0.236 -21.80
FeSO4 6.610e-09 6.645e-09 -8.180 -8.178 0.002 (0)
FeSO4 6.610e-09 6.645e-09 -8.180 -8.178 0.002 18.97
FeHCO3+ 6.654e-10 5.754e-10 -9.177 -9.240 -0.063 (0)
FeCO3 4.855e-10 4.880e-10 -9.314 -9.312 0.002 (0)
FeOH+ 4.312e-10 3.743e-10 -9.365 -9.427 -0.061 (0)
@ -770,7 +770,7 @@ S(6) 5.333e-03
SO4-2 4.198e-03 2.379e-03 -2.377 -2.624 -0.247 14.96
CaSO4 1.076e-03 1.082e-03 -2.968 -2.966 0.002 7.50
NaSO4- 5.872e-05 5.109e-05 -4.231 -4.292 -0.060 14.77
FeSO4 6.610e-09 6.645e-09 -8.180 -8.178 0.002 (0)
FeSO4 6.610e-09 6.645e-09 -8.180 -8.178 0.002 18.97
HSO4- 3.548e-09 3.068e-09 -8.450 -8.513 -0.063 40.39
CaHSO4+ 1.091e-10 9.432e-11 -9.962 -10.025 -0.063 (0)
FeHSO4+ 6.699e-16 5.793e-16 -15.174 -15.237 -0.063 (0)
@ -904,7 +904,7 @@ Cl 1.500e-02
FeCl3 1.582e-29 1.605e-29 -28.801 -28.795 0.006 (0)
Fe(2) 8.300e-08
Fe+2 5.798e-08 2.658e-08 -7.237 -7.575 -0.339 -21.59
FeSO4 2.270e-08 2.302e-08 -7.644 -7.638 0.006 (0)
FeSO4 2.270e-08 2.302e-08 -7.644 -7.638 0.006 18.97
FeHCO3+ 8.400e-10 6.803e-10 -9.076 -9.167 -0.092 (0)
FeCl+ 5.447e-10 4.411e-10 -9.264 -9.355 -0.092 (0)
FeOH+ 5.438e-10 4.425e-10 -9.265 -9.354 -0.090 (0)
@ -948,7 +948,7 @@ S(6) 1.600e-02
SO4-2 1.117e-02 4.870e-03 -1.952 -2.312 -0.361 15.32
CaSO4 4.473e-03 4.536e-03 -2.349 -2.343 0.006 7.50
NaSO4- 3.557e-04 2.908e-04 -3.449 -3.536 -0.088 15.66
FeSO4 2.270e-08 2.302e-08 -7.644 -7.638 0.006 (0)
FeSO4 2.270e-08 2.302e-08 -7.644 -7.638 0.006 18.97
HSO4- 1.110e-08 8.986e-09 -7.955 -8.046 -0.092 40.47
CaHSO4+ 6.988e-10 5.659e-10 -9.156 -9.247 -0.092 (0)
FeHSO4+ 3.546e-15 2.872e-15 -14.450 -14.542 -0.092 (0)
@ -1082,7 +1082,7 @@ Cl 2.501e-02
FeCl3 7.230e-29 7.355e-29 -28.141 -28.133 0.007 (0)
Fe(2) 8.858e-08
Fe+2 6.258e-08 2.720e-08 -7.204 -7.565 -0.362 -21.54
FeSO4 2.325e-08 2.366e-08 -7.634 -7.626 0.007 (0)
FeSO4 2.325e-08 2.366e-08 -7.634 -7.626 0.007 18.97
FeCl+ 9.267e-10 7.396e-10 -9.033 -9.131 -0.098 (0)
FeHCO3+ 8.603e-10 6.866e-10 -9.065 -9.163 -0.098 (0)
FeOH+ 5.572e-10 4.467e-10 -9.254 -9.350 -0.096 (0)
@ -1126,7 +1126,7 @@ S(6) 1.713e-02
SO4-2 1.193e-02 4.890e-03 -1.923 -2.311 -0.387 15.42
CaSO4 4.601e-03 4.680e-03 -2.337 -2.330 0.007 7.50
NaSO4- 5.956e-04 4.800e-04 -3.225 -3.319 -0.094 15.90
FeSO4 2.325e-08 2.366e-08 -7.634 -7.626 0.007 (0)
FeSO4 2.325e-08 2.366e-08 -7.634 -7.626 0.007 18.97
HSO4- 1.146e-08 9.144e-09 -7.941 -8.039 -0.098 40.50
CaHSO4+ 7.413e-10 5.916e-10 -9.130 -9.228 -0.098 (0)
FeHSO4+ 3.747e-15 2.990e-15 -14.426 -14.524 -0.098 (0)

150
ex6.out
View File

@ -199,8 +199,8 @@ Al 2.658e-08
Al(OH)4- 2.442e-08 2.441e-08 -7.612 -7.612 -0.000 (0)
Al(OH)3 1.284e-09 1.284e-09 -8.891 -8.891 0.000 (0)
Al(OH)2+ 8.645e-10 8.641e-10 -9.063 -9.063 -0.000 (0)
AlOH+2 1.095e-11 1.093e-11 -10.961 -10.961 -0.001 -27.81
Al+3 1.095e-13 1.091e-13 -12.960 -12.962 -0.002 -44.55
AlOH+2 1.095e-11 1.093e-11 -10.961 -10.961 -0.001 -27.87
Al+3 1.095e-13 1.091e-13 -12.960 -12.962 -0.002 -42.53
H(0) 2.557e-38
H2 1.279e-38 1.279e-38 -37.893 -37.893 0.000 28.61
K 2.658e-08
@ -315,8 +315,8 @@ Al 3.935e-07
Al(OH)4- 3.921e-07 3.915e-07 -6.407 -6.407 -0.001 (0)
Al(OH)3 1.284e-09 1.284e-09 -8.891 -8.891 0.000 (0)
Al(OH)2+ 5.397e-11 5.388e-11 -10.268 -10.269 -0.001 (0)
AlOH+2 4.280e-14 4.250e-14 -13.369 -13.372 -0.003 -27.80
Al+3 2.687e-17 2.645e-17 -16.571 -16.578 -0.007 -44.54
AlOH+2 4.280e-14 4.250e-14 -13.369 -13.372 -0.003 -27.87
Al+3 2.687e-17 2.645e-17 -16.571 -16.578 -0.007 -42.52
H(0) 2.557e-38
H2 1.279e-38 1.279e-38 -37.893 -37.893 0.000 28.61
K 2.178e-06
@ -431,8 +431,8 @@ Al 5.799e-07
Al(OH)4- 5.796e-07 5.766e-07 -6.237 -6.239 -0.002 (0)
Al(OH)3 2.391e-10 2.391e-10 -9.621 -9.621 0.000 (0)
Al(OH)2+ 1.275e-12 1.268e-12 -11.895 -11.897 -0.002 (0)
AlOH+2 1.291e-16 1.265e-16 -15.889 -15.898 -0.009 -27.79
Al+3 1.043e-20 9.949e-21 -19.982 -20.002 -0.020 -44.52
AlOH+2 1.291e-16 1.265e-16 -15.889 -15.898 -0.009 -27.86
Al+3 1.043e-20 9.949e-21 -19.982 -20.002 -0.020 -42.50
H(0) 2.557e-38
H2 1.279e-38 1.279e-38 -37.893 -37.893 0.000 28.61
K 2.010e-05
@ -547,8 +547,8 @@ Al 5.973e-08
Al(OH)4- 5.972e-08 5.895e-08 -7.224 -7.230 -0.006 (0)
Al(OH)3 1.280e-11 1.280e-11 -10.893 -10.893 0.000 (0)
Al(OH)2+ 3.600e-14 3.554e-14 -13.444 -13.449 -0.006 (0)
AlOH+2 1.954e-18 1.855e-18 -17.709 -17.732 -0.023 -27.77
Al+3 8.576e-23 7.641e-23 -22.067 -22.117 -0.050 -44.46
AlOH+2 1.954e-18 1.855e-18 -17.709 -17.732 -0.023 -27.83
Al+3 8.576e-23 7.641e-23 -22.067 -22.117 -0.050 -42.44
H(0) 2.558e-38
H2 1.279e-38 1.279e-38 -37.893 -37.893 0.000 28.61
K 1.273e-04
@ -659,8 +659,8 @@ Al 5.450e-07
Al(OH)4- 5.437e-07 5.426e-07 -6.265 -6.266 -0.001 (0)
Al(OH)3 1.284e-09 1.284e-09 -8.891 -8.891 0.000 (0)
Al(OH)2+ 3.895e-11 3.887e-11 -10.409 -10.410 -0.001 (0)
AlOH+2 2.230e-14 2.212e-14 -13.652 -13.655 -0.004 -27.80
Al+3 1.012e-17 9.934e-18 -16.995 -17.003 -0.008 -44.54
AlOH+2 2.230e-14 2.212e-14 -13.652 -13.655 -0.004 -27.87
Al+3 1.012e-17 9.934e-18 -16.995 -17.003 -0.008 -42.52
H(0) 2.557e-38
H2 1.279e-38 1.279e-38 -37.893 -37.893 0.000 28.61
K 3.025e-06
@ -771,8 +771,8 @@ Al 3.235e-07
Al(OH)4- 3.234e-07 3.216e-07 -6.490 -6.493 -0.002 (0)
Al(OH)3 1.458e-10 1.458e-10 -9.836 -9.836 0.000 (0)
Al(OH)2+ 8.504e-13 8.458e-13 -12.070 -12.073 -0.002 (0)
AlOH+2 9.425e-17 9.222e-17 -16.026 -16.035 -0.009 -27.79
Al+3 8.331e-21 7.933e-21 -20.079 -20.101 -0.021 -44.52
AlOH+2 9.425e-17 9.222e-17 -16.026 -16.035 -0.009 -27.86
Al+3 8.331e-21 7.933e-21 -20.079 -20.101 -0.021 -42.50
H(0) 3.401e-15
H2 1.701e-15 1.701e-15 -14.769 -14.769 0.000 28.61
K 2.198e-05
@ -908,8 +908,8 @@ Al 2.800e-08
Al(OH)4- 2.589e-08 2.588e-08 -7.587 -7.587 -0.000 (0)
Al(OH)3 1.284e-09 1.284e-09 -8.891 -8.891 0.000 (0)
Al(OH)2+ 8.152e-10 8.149e-10 -9.089 -9.089 -0.000 (0)
AlOH+2 9.738e-12 9.722e-12 -11.012 -11.012 -0.001 -27.81
Al+3 9.187e-14 9.151e-14 -13.037 -13.039 -0.002 -44.55
AlOH+2 9.738e-12 9.722e-12 -11.012 -11.012 -0.001 -27.87
Al+3 9.187e-14 9.151e-14 -13.037 -13.039 -0.002 -42.53
H(0) 4.005e-15
H2 2.002e-15 2.002e-15 -14.698 -14.698 0.000 28.61
K 4.000e-08
@ -1012,8 +1012,8 @@ Al 3.269e-08
Al(OH)4- 3.071e-08 3.069e-08 -7.513 -7.513 -0.000 (0)
Al(OH)3 1.284e-09 1.284e-09 -8.891 -8.891 0.000 (0)
Al(OH)2+ 6.875e-10 6.872e-10 -9.163 -9.163 -0.000 (0)
AlOH+2 6.926e-12 6.913e-12 -11.160 -11.160 -0.001 -27.81
Al+3 5.511e-14 5.487e-14 -13.259 -13.261 -0.002 -44.55
AlOH+2 6.926e-12 6.913e-12 -11.160 -11.160 -0.001 -27.87
Al+3 5.511e-14 5.487e-14 -13.259 -13.261 -0.002 -42.53
H(0) 0.000e+00
H2 0.000e+00 0.000e+00 -40.282 -40.282 0.000 28.61
K 8.000e-08
@ -1116,8 +1116,8 @@ Al 4.369e-08
Al(OH)4- 4.190e-08 4.187e-08 -7.378 -7.378 -0.000 (0)
Al(OH)3 1.284e-09 1.284e-09 -8.891 -8.891 0.000 (0)
Al(OH)2+ 5.040e-10 5.037e-10 -9.298 -9.298 -0.000 (0)
AlOH+2 3.723e-12 3.714e-12 -11.429 -11.430 -0.001 -27.81
Al+3 2.172e-14 2.161e-14 -13.663 -13.665 -0.002 -44.55
AlOH+2 3.723e-12 3.714e-12 -11.429 -11.430 -0.001 -27.87
Al+3 2.172e-14 2.161e-14 -13.663 -13.665 -0.002 -42.53
H(0) 1.378e-15
H2 6.889e-16 6.889e-16 -15.162 -15.162 0.000 28.61
K 1.600e-07
@ -1220,8 +1220,8 @@ Al 6.953e-08
Al(OH)4- 6.793e-08 6.788e-08 -7.168 -7.168 -0.000 (0)
Al(OH)3 1.284e-09 1.284e-09 -8.891 -8.891 0.000 (0)
Al(OH)2+ 3.109e-10 3.107e-10 -9.507 -9.508 -0.000 (0)
AlOH+2 1.417e-12 1.413e-12 -11.849 -11.850 -0.001 -27.81
Al+3 5.105e-15 5.073e-15 -14.292 -14.295 -0.003 -44.55
AlOH+2 1.417e-12 1.413e-12 -11.849 -11.850 -0.001 -27.87
Al+3 5.105e-15 5.073e-15 -14.292 -14.295 -0.003 -42.53
H(0) 2.725e-15
H2 1.363e-15 1.363e-15 -14.866 -14.866 0.000 28.61
K 3.200e-07
@ -1324,8 +1324,8 @@ Al 1.260e-07
Al(OH)4- 1.245e-07 1.244e-07 -6.905 -6.905 -0.000 (0)
Al(OH)3 1.284e-09 1.284e-09 -8.891 -8.891 0.000 (0)
Al(OH)2+ 1.697e-10 1.696e-10 -9.770 -9.771 -0.000 (0)
AlOH+2 4.226e-13 4.210e-13 -12.374 -12.376 -0.002 -27.81
Al+3 8.317e-16 8.246e-16 -15.080 -15.084 -0.004 -44.55
AlOH+2 4.226e-13 4.210e-13 -12.374 -12.376 -0.002 -27.87
Al+3 8.317e-16 8.246e-16 -15.080 -15.084 -0.004 -42.53
H(0) 5.420e-15
H2 2.710e-15 2.710e-15 -14.567 -14.567 0.000 28.61
K 6.400e-07
@ -1428,8 +1428,8 @@ Al 1.903e-07
Al(OH)4- 1.889e-07 1.887e-07 -6.724 -6.724 -0.001 (0)
Al(OH)3 1.284e-09 1.284e-09 -8.891 -8.891 0.000 (0)
Al(OH)2+ 1.119e-10 1.118e-10 -9.951 -9.952 -0.001 (0)
AlOH+2 1.839e-13 1.830e-13 -12.736 -12.738 -0.002 -27.81
Al+3 2.388e-16 2.363e-16 -15.622 -15.626 -0.005 -44.55
AlOH+2 1.839e-13 1.830e-13 -12.736 -12.738 -0.002 -27.87
Al+3 2.388e-16 2.363e-16 -15.622 -15.626 -0.005 -42.53
H(0) 5.499e-39
H2 2.749e-39 2.749e-39 -38.561 -38.561 0.000 28.61
K 1.000e-06
@ -1532,8 +1532,8 @@ Al 3.636e-07
Al(OH)4- 3.622e-07 3.616e-07 -6.441 -6.442 -0.001 (0)
Al(OH)3 1.284e-09 1.284e-09 -8.891 -8.891 0.000 (0)
Al(OH)2+ 5.842e-11 5.832e-11 -10.233 -10.234 -0.001 (0)
AlOH+2 5.013e-14 4.980e-14 -13.300 -13.303 -0.003 -27.80
Al+3 3.406e-17 3.355e-17 -16.468 -16.474 -0.006 -44.54
AlOH+2 5.013e-14 4.980e-14 -13.300 -13.303 -0.003 -27.87
Al+3 3.406e-17 3.355e-17 -16.468 -16.474 -0.006 -42.52
H(0) 3.874e-39
H2 1.937e-39 1.937e-39 -38.713 -38.713 0.000 28.61
K 2.000e-06
@ -1636,8 +1636,8 @@ Al 5.714e-07
Al(OH)4- 5.704e-07 5.690e-07 -6.244 -6.245 -0.001 (0)
Al(OH)3 9.989e-10 9.989e-10 -9.000 -9.000 0.000 (0)
Al(OH)2+ 2.248e-11 2.243e-11 -10.648 -10.649 -0.001 (0)
AlOH+2 9.558e-15 9.469e-15 -14.020 -14.024 -0.004 -27.80
Al+3 3.221e-18 3.154e-18 -17.492 -17.501 -0.009 -44.54
AlOH+2 9.558e-15 9.469e-15 -14.020 -14.024 -0.004 -27.87
Al+3 3.221e-18 3.154e-18 -17.492 -17.501 -0.009 -42.52
H(0) 5.295e-15
H2 2.648e-15 2.648e-15 -14.577 -14.577 0.000 28.61
K 4.000e-06
@ -1740,8 +1740,8 @@ Al 6.057e-07
Al(OH)4- 6.052e-07 6.032e-07 -6.218 -6.220 -0.001 (0)
Al(OH)3 5.371e-10 5.371e-10 -9.270 -9.270 0.000 (0)
Al(OH)2+ 6.137e-12 6.117e-12 -11.212 -11.213 -0.001 (0)
AlOH+2 1.327e-15 1.310e-15 -14.877 -14.883 -0.006 -27.80
Al+3 2.280e-19 2.213e-19 -18.642 -18.655 -0.013 -44.53
AlOH+2 1.327e-15 1.310e-15 -14.877 -14.883 -0.006 -27.86
Al+3 2.280e-19 2.213e-19 -18.642 -18.655 -0.013 -42.51
H(0) 4.275e-39
H2 2.137e-39 2.137e-39 -38.670 -38.670 0.000 28.61
K 8.000e-06
@ -1844,8 +1844,8 @@ Al 5.936e-07
Al(OH)4- 5.933e-07 5.905e-07 -6.227 -6.229 -0.002 (0)
Al(OH)3 2.915e-10 2.915e-10 -9.535 -9.535 0.000 (0)
Al(OH)2+ 1.849e-12 1.841e-12 -11.733 -11.735 -0.002 (0)
AlOH+2 2.226e-16 2.185e-16 -15.652 -15.661 -0.008 -27.79
Al+3 2.134e-20 2.046e-20 -19.671 -19.689 -0.018 -44.52
AlOH+2 2.226e-16 2.185e-16 -15.652 -15.661 -0.008 -27.86
Al+3 2.134e-20 2.046e-20 -19.671 -19.689 -0.018 -42.50
H(0) 6.880e-15
H2 3.440e-15 3.440e-15 -14.463 -14.463 0.000 28.61
K 1.600e-05
@ -1948,8 +1948,8 @@ Al 3.338e-07
Al(OH)4- 3.336e-07 3.318e-07 -6.477 -6.479 -0.002 (0)
Al(OH)3 1.496e-10 1.496e-10 -9.825 -9.825 0.000 (0)
Al(OH)2+ 8.678e-13 8.630e-13 -12.062 -12.064 -0.002 (0)
AlOH+2 9.565e-17 9.359e-17 -16.019 -16.029 -0.009 -27.79
Al+3 8.407e-21 8.007e-21 -20.075 -20.097 -0.021 -44.52
AlOH+2 9.565e-17 9.359e-17 -16.019 -16.029 -0.009 -27.86
Al+3 8.407e-21 8.007e-21 -20.075 -20.097 -0.021 -42.50
H(0) 1.177e-38
H2 5.884e-39 5.884e-39 -38.230 -38.230 0.000 28.61
K 2.186e-05
@ -2052,8 +2052,8 @@ Al 1.804e-07
Al(OH)4- 1.804e-07 1.790e-07 -6.744 -6.747 -0.003 (0)
Al(OH)3 5.684e-11 5.684e-11 -10.245 -10.245 0.000 (0)
Al(OH)2+ 2.326e-13 2.308e-13 -12.633 -12.637 -0.003 (0)
AlOH+2 1.816e-17 1.762e-17 -16.741 -16.754 -0.013 -27.79
Al+3 1.136e-21 1.062e-21 -20.945 -20.974 -0.029 -44.50
AlOH+2 1.816e-17 1.762e-17 -16.741 -16.754 -0.013 -27.85
Al+3 1.136e-21 1.062e-21 -20.945 -20.974 -0.029 -42.48
H(0) 8.193e-39
H2 4.096e-39 4.096e-39 -38.388 -38.388 0.000 28.61
K 4.273e-05
@ -2156,8 +2156,8 @@ Al 1.175e-07
Al(OH)4- 1.174e-07 1.163e-07 -6.930 -6.934 -0.004 (0)
Al(OH)3 3.073e-11 3.073e-11 -10.512 -10.512 0.000 (0)
Al(OH)2+ 1.049e-13 1.039e-13 -12.979 -12.984 -0.004 (0)
AlOH+2 6.853e-18 6.599e-18 -17.164 -17.181 -0.016 -27.78
Al+3 3.599e-22 3.308e-22 -21.444 -21.480 -0.037 -44.49
AlOH+2 6.853e-18 6.599e-18 -17.164 -17.181 -0.016 -27.84
Al+3 3.599e-22 3.308e-22 -21.444 -21.480 -0.037 -42.47
H(0) 3.760e-15
H2 1.880e-15 1.880e-15 -14.726 -14.726 0.000 28.61
K 6.671e-05
@ -2260,8 +2260,8 @@ Al 5.973e-08
Al(OH)4- 5.972e-08 5.895e-08 -7.224 -7.230 -0.006 (0)
Al(OH)3 1.280e-11 1.280e-11 -10.893 -10.893 0.000 (0)
Al(OH)2+ 3.600e-14 3.554e-14 -13.444 -13.449 -0.006 (0)
AlOH+2 1.954e-18 1.855e-18 -17.709 -17.732 -0.023 -27.77
Al+3 8.576e-23 7.641e-23 -22.067 -22.117 -0.050 -44.46
AlOH+2 1.954e-18 1.855e-18 -17.709 -17.732 -0.023 -27.83
Al+3 8.576e-23 7.641e-23 -22.067 -22.117 -0.050 -42.44
H(0) 3.149e-39
H2 1.575e-39 1.575e-39 -38.803 -38.803 0.000 28.61
K 1.273e-04
@ -2438,8 +2438,8 @@ Al 1.000e-13
Al(OH)4- 9.178e-14 9.175e-14 -13.037 -13.037 -0.000 (0)
Al(OH)3 4.868e-15 4.868e-15 -14.313 -14.313 0.000 (0)
Al(OH)2+ 3.305e-15 3.304e-15 -14.481 -14.481 -0.000 (0)
AlOH+2 4.222e-17 4.215e-17 -16.375 -16.375 -0.001 -27.81
Al+3 4.258e-19 4.244e-19 -18.371 -18.372 -0.001 -44.55
AlOH+2 4.222e-17 4.215e-17 -16.375 -16.375 -0.001 -27.87
Al+3 4.258e-19 4.244e-19 -18.371 -18.372 -0.001 -42.53
H(0) 1.416e-25
H2 7.079e-26 7.079e-26 -25.150 -25.150 0.000 28.61
K 1.000e-13
@ -2543,8 +2543,8 @@ Al 1.266e-09
Al(OH)4- 1.162e-09 1.161e-09 -8.935 -8.935 -0.000 (0)
Al(OH)3 6.157e-11 6.157e-11 -10.211 -10.211 0.000 (0)
Al(OH)2+ 4.178e-11 4.176e-11 -10.379 -10.379 -0.000 (0)
AlOH+2 5.332e-13 5.324e-13 -12.273 -12.274 -0.001 -27.81
Al+3 5.375e-15 5.357e-15 -14.270 -14.271 -0.001 -44.55
AlOH+2 5.332e-13 5.324e-13 -12.273 -12.274 -0.001 -27.87
Al+3 5.375e-15 5.357e-15 -14.270 -14.271 -0.001 -42.53
H(0) 1.346e-39
H2 6.732e-40 6.732e-40 -39.172 -39.172 0.000 28.61
K 1.266e-09
@ -2644,8 +2644,8 @@ Al 1.392e-08
Al(OH)4- 1.279e-08 1.278e-08 -7.893 -7.893 -0.000 (0)
Al(OH)3 6.731e-10 6.731e-10 -9.172 -9.172 0.000 (0)
Al(OH)2+ 4.535e-10 4.534e-10 -9.343 -9.344 -0.000 (0)
AlOH+2 5.750e-12 5.741e-12 -11.240 -11.241 -0.001 -27.81
Al+3 5.756e-14 5.735e-14 -13.240 -13.241 -0.002 -44.55
AlOH+2 5.750e-12 5.741e-12 -11.240 -11.241 -0.001 -27.87
Al+3 5.756e-14 5.735e-14 -13.240 -13.241 -0.002 -42.53
H(0) 1.484e-39
H2 7.418e-40 7.418e-40 -39.130 -39.130 0.000 28.61
K 1.392e-08
@ -2746,8 +2746,8 @@ Al 4.101e-08
Al(OH)4- 3.919e-08 3.916e-08 -7.407 -7.407 -0.000 (0)
Al(OH)3 1.284e-09 1.284e-09 -8.891 -8.891 0.000 (0)
Al(OH)2+ 5.388e-10 5.386e-10 -9.269 -9.269 -0.000 (0)
AlOH+2 4.255e-12 4.246e-12 -11.371 -11.372 -0.001 -27.81
Al+3 2.654e-14 2.642e-14 -13.576 -13.578 -0.002 -44.55
AlOH+2 4.255e-12 4.246e-12 -11.371 -11.372 -0.001 -27.87
Al+3 2.654e-14 2.642e-14 -13.576 -13.578 -0.002 -42.53
H(0) 1.742e-39
H2 8.708e-40 8.708e-40 -39.060 -39.060 0.000 28.61
K 1.405e-07
@ -2848,8 +2848,8 @@ Al 2.620e-07
Al(OH)4- 2.606e-07 2.603e-07 -6.584 -6.585 -0.001 (0)
Al(OH)3 1.284e-09 1.284e-09 -8.891 -8.891 0.000 (0)
Al(OH)2+ 8.115e-11 8.104e-11 -10.091 -10.091 -0.001 (0)
AlOH+2 9.668e-14 9.614e-14 -13.015 -13.017 -0.002 -27.81
Al+3 9.113e-17 8.999e-17 -16.040 -16.046 -0.005 -44.54
AlOH+2 9.668e-14 9.614e-14 -13.015 -13.017 -0.002 -27.87
Al+3 9.113e-17 8.999e-17 -16.040 -16.046 -0.005 -42.52
H(0) 4.202e-14
H2 2.101e-14 2.101e-14 -13.678 -13.678 0.000 28.61
K 1.406e-06
@ -2952,8 +2952,8 @@ Al 5.993e-07
Al(OH)4- 5.990e-07 5.964e-07 -6.223 -6.224 -0.002 (0)
Al(OH)3 3.264e-10 3.264e-10 -9.486 -9.486 0.000 (0)
Al(OH)2+ 2.295e-12 2.285e-12 -11.639 -11.641 -0.002 (0)
AlOH+2 3.060e-16 3.007e-16 -15.514 -15.522 -0.008 -27.80
Al+3 3.247e-20 3.122e-20 -19.489 -19.506 -0.017 -44.52
AlOH+2 3.060e-16 3.007e-16 -15.514 -15.522 -0.008 -27.86
Al+3 3.247e-20 3.122e-20 -19.489 -19.506 -0.017 -42.50
H(0) 1.747e-14
H2 8.737e-15 8.737e-15 -14.059 -14.059 0.000 28.61
K 1.406e-05
@ -3058,8 +3058,8 @@ Al 9.244e-08
Al(OH)4- 9.242e-08 9.144e-08 -7.034 -7.039 -0.005 (0)
Al(OH)3 2.228e-11 2.228e-11 -10.652 -10.652 0.000 (0)
Al(OH)2+ 7.020e-14 6.946e-14 -13.154 -13.158 -0.005 (0)
AlOH+2 4.247e-18 4.070e-18 -17.372 -17.390 -0.018 -27.78
Al+3 2.069e-22 1.882e-22 -21.684 -21.725 -0.041 -44.48
AlOH+2 4.247e-18 4.070e-18 -17.372 -17.390 -0.018 -27.84
Al+3 2.069e-22 1.882e-22 -21.684 -21.725 -0.041 -42.46
H(0) 0.000e+00
H2 0.000e+00 0.000e+00 -40.221 -40.221 0.000 28.61
K 8.445e-05
@ -3165,8 +3165,8 @@ Al 5.973e-08
Al(OH)4- 5.972e-08 5.895e-08 -7.224 -7.230 -0.006 (0)
Al(OH)3 1.280e-11 1.280e-11 -10.893 -10.893 0.000 (0)
Al(OH)2+ 3.600e-14 3.553e-14 -13.444 -13.449 -0.006 (0)
AlOH+2 1.954e-18 1.855e-18 -17.709 -17.732 -0.023 -27.77
Al+3 8.576e-23 7.641e-23 -22.067 -22.117 -0.050 -44.46
AlOH+2 1.954e-18 1.855e-18 -17.709 -17.732 -0.023 -27.83
Al+3 8.576e-23 7.641e-23 -22.067 -22.117 -0.050 -42.44
H(0) 0.000e+00
H2 0.000e+00 0.000e+00 -40.233 -40.233 0.000 28.61
K 1.273e-04
@ -3281,8 +3281,8 @@ Al 2.515e-04
Al(OH)4- 2.515e-04 2.420e-04 -3.600 -3.616 -0.017 (0)
Al(OH)3 1.284e-09 1.284e-09 -8.892 -8.891 0.000 (0)
Al(OH)2+ 9.053e-14 8.715e-14 -13.043 -13.060 -0.016 (0)
AlOH+2 1.294e-19 1.112e-19 -18.888 -18.954 -0.066 -27.69
Al+3 1.556e-25 1.120e-25 -24.808 -24.951 -0.143 -44.29
AlOH+2 1.294e-19 1.112e-19 -18.888 -18.954 -0.066 -27.75
Al+3 1.556e-25 1.120e-25 -24.808 -24.951 -0.143 -42.27
H(0) 1.416e-33
H2 7.078e-34 7.079e-34 -33.150 -33.150 0.000 28.61
K 1.039e-03
@ -3356,8 +3356,8 @@ Al 2.741e-08
Al(OH)4- 2.521e-08 2.420e-08 -7.598 -7.616 -0.018 (0)
Al(OH)3 1.284e-09 1.284e-09 -8.892 -8.891 0.000 (0)
Al(OH)2+ 9.074e-10 8.716e-10 -9.042 -9.060 -0.017 (0)
AlOH+2 1.306e-11 1.112e-11 -10.884 -10.954 -0.070 -27.68
Al+3 1.586e-13 1.120e-13 -12.800 -12.951 -0.151 -44.27
AlOH+2 1.306e-11 1.112e-11 -10.884 -10.954 -0.070 -27.74
Al+3 1.586e-13 1.120e-13 -12.800 -12.951 -0.151 -42.25
H(0) 1.415e-25
H2 7.077e-26 7.079e-26 -25.150 -25.150 0.000 28.61
K 2.666e-03
@ -3431,8 +3431,8 @@ Al 2.731e-10
Al(OH)4- 2.512e-10 2.412e-10 -9.600 -9.618 -0.018 (0)
Al(OH)3 1.279e-11 1.280e-11 -10.893 -10.893 0.000 (0)
Al(OH)2+ 9.042e-12 8.685e-12 -11.044 -11.061 -0.017 (0)
AlOH+2 1.302e-13 1.108e-13 -12.885 -12.955 -0.070 -27.68
Al+3 1.581e-15 1.116e-15 -14.801 -14.952 -0.151 -44.27
AlOH+2 1.302e-13 1.108e-13 -12.885 -12.955 -0.070 -27.74
Al+3 1.581e-15 1.116e-15 -14.801 -14.952 -0.151 -42.25
H(0) 1.415e-25
H2 7.077e-26 7.079e-26 -25.150 -25.150 0.000 28.61
K 2.666e-03
@ -3506,8 +3506,8 @@ Al 5.251e-13
Al(OH)4- 4.821e-13 4.736e-13 -12.317 -12.325 -0.008 (0)
Al(OH)3 2.526e-14 2.526e-14 -13.598 -13.597 0.000 (0)
Al(OH)2+ 1.755e-14 1.724e-14 -13.756 -13.763 -0.008 (0)
AlOH+2 2.374e-16 2.212e-16 -15.624 -15.655 -0.031 -27.75
Al+3 2.619e-18 2.239e-18 -17.582 -17.650 -0.068 -44.43
AlOH+2 2.374e-16 2.212e-16 -15.624 -15.655 -0.031 -27.82
Al+3 2.619e-18 2.239e-18 -17.582 -17.650 -0.068 -42.41
H(0) 1.416e-25
H2 7.079e-26 7.079e-26 -25.150 -25.150 0.000 28.61
K 1.018e-08
@ -3616,8 +3616,8 @@ Al 2.513e-06
Al(OH)4- 2.513e-06 2.412e-06 -5.600 -5.618 -0.018 (0)
Al(OH)3 1.279e-11 1.280e-11 -10.893 -10.893 0.000 (0)
Al(OH)2+ 9.047e-16 8.685e-16 -15.043 -15.061 -0.018 (0)
AlOH+2 1.305e-21 1.108e-21 -20.884 -20.955 -0.071 -27.68
Al+3 1.588e-27 1.116e-27 -26.799 -26.952 -0.153 -44.27
AlOH+2 1.305e-21 1.108e-21 -20.884 -20.955 -0.071 -27.74
Al+3 1.588e-27 1.116e-27 -26.799 -26.952 -0.153 -42.25
H(0) 1.415e-33
H2 7.077e-34 7.079e-34 -33.150 -33.150 0.000 28.61
K 1.043e-03
@ -3691,8 +3691,8 @@ Al 2.731e-10
Al(OH)4- 2.512e-10 2.412e-10 -9.600 -9.618 -0.018 (0)
Al(OH)3 1.279e-11 1.280e-11 -10.893 -10.893 0.000 (0)
Al(OH)2+ 9.042e-12 8.685e-12 -11.044 -11.061 -0.017 (0)
AlOH+2 1.302e-13 1.108e-13 -12.885 -12.955 -0.070 -27.68
Al+3 1.581e-15 1.116e-15 -14.801 -14.952 -0.151 -44.27
AlOH+2 1.302e-13 1.108e-13 -12.885 -12.955 -0.070 -27.74
Al+3 1.581e-15 1.116e-15 -14.801 -14.952 -0.151 -42.25
H(0) 1.415e-25
H2 7.077e-26 7.079e-26 -25.150 -25.150 0.000 28.61
K 2.666e-03
@ -3766,8 +3766,8 @@ Al 2.741e-08
Al(OH)4- 2.521e-08 2.420e-08 -7.598 -7.616 -0.018 (0)
Al(OH)3 1.284e-09 1.284e-09 -8.892 -8.891 0.000 (0)
Al(OH)2+ 9.074e-10 8.716e-10 -9.042 -9.060 -0.017 (0)
AlOH+2 1.306e-11 1.112e-11 -10.884 -10.954 -0.070 -27.68
Al+3 1.586e-13 1.120e-13 -12.800 -12.951 -0.151 -44.27
AlOH+2 1.306e-11 1.112e-11 -10.884 -10.954 -0.070 -27.74
Al+3 1.586e-13 1.120e-13 -12.800 -12.951 -0.151 -42.25
H(0) 1.415e-25
H2 7.077e-26 7.079e-26 -25.150 -25.150 0.000 28.61
K 2.666e-03
@ -3841,8 +3841,8 @@ Al 2.638e-08
Al(OH)4- 2.421e-08 2.420e-08 -7.616 -7.616 -0.000 (0)
Al(OH)3 1.284e-09 1.284e-09 -8.891 -8.891 0.000 (0)
Al(OH)2+ 8.719e-10 8.715e-10 -9.060 -9.060 -0.000 (0)
AlOH+2 1.114e-11 1.112e-11 -10.953 -10.954 -0.001 -27.81
Al+3 1.124e-13 1.119e-13 -12.949 -12.951 -0.002 -44.55
AlOH+2 1.114e-11 1.112e-11 -10.953 -10.954 -0.001 -27.87
Al+3 1.124e-13 1.119e-13 -12.949 -12.951 -0.002 -42.53
H(0) 1.416e-25
H2 7.079e-26 7.079e-26 -25.150 -25.150 0.000 28.61
K 1.000e-08
@ -3882,7 +3882,7 @@ End of simulation.
Reading input data for simulation 12.
-------------------------------------
-----------------------------
End of Run after 0.5 Seconds.
-----------------------------
------------------------------
End of Run after 0.51 Seconds.
------------------------------

2
ex7.out
View File

@ -3135,6 +3135,6 @@ Reading input data for simulation 4.
------------------------------------
------------------------------
End of Run after 0.05 Seconds.
End of Run after 0.04 Seconds.
------------------------------

110
ex8.out
View File

@ -123,7 +123,7 @@ Na 1.000e-01
O(0) 1.615e-38
O2 8.073e-39 8.261e-39 -38.093 -38.083 0.010 30.40
Zn 1.000e-07
Zn+2 9.102e-08 3.424e-08 -7.041 -7.465 -0.425 -23.59
Zn+2 9.102e-08 3.424e-08 -7.041 -7.465 -0.425 -24.68
ZnOH+ 4.790e-09 3.742e-09 -8.320 -8.427 -0.107 (0)
Zn(OH)2 4.184e-09 4.282e-09 -8.378 -8.368 0.010 (0)
Zn(OH)3- 1.727e-12 1.349e-12 -11.763 -11.870 -0.107 (0)
@ -219,7 +219,7 @@ Na 9.981e-02
O(0) 1.615e-38
O2 8.073e-39 8.261e-39 -38.093 -38.083 0.010 30.40
Zn 1.000e-04
Zn+2 9.103e-05 3.423e-05 -4.041 -4.466 -0.425 -23.59
Zn+2 9.103e-05 3.423e-05 -4.041 -4.466 -0.425 -24.68
ZnOH+ 4.789e-06 3.741e-06 -5.320 -5.427 -0.107 (0)
Zn(OH)2 4.183e-06 4.280e-06 -5.379 -5.369 0.010 (0)
Zn(OH)3- 1.727e-09 1.349e-09 -8.763 -8.870 -0.107 (0)
@ -371,7 +371,7 @@ H(0) 0.000e+00
H2 0.000e+00 0.000e+00 -43.349 -43.339 0.010 28.61
N(-3) 0.000e+00
NH4+ 0.000e+00 0.000e+00 -52.670 -52.798 -0.128 18.17
NH3 0.000e+00 0.000e+00 -57.052 -57.042 0.010 24.46
NH3 0.000e+00 0.000e+00 -57.052 -57.042 0.010 24.42
N(0) 1.543e-06
N2 7.715e-07 7.895e-07 -6.113 -6.103 0.010 29.29
N(3) 2.412e-13
@ -384,7 +384,7 @@ Na 9.987e-02
O(0) 3.858e-06
O2 1.929e-06 1.974e-06 -5.715 -5.705 0.010 30.40
Zn 9.967e-08
Zn+2 9.967e-08 3.750e-08 -7.001 -7.426 -0.425 -23.59
Zn+2 9.967e-08 3.750e-08 -7.001 -7.426 -0.425 -24.68
ZnOH+ 5.245e-12 4.098e-12 -11.280 -11.387 -0.107 (0)
Zn(OH)2 4.582e-15 4.689e-15 -14.339 -14.329 0.010 (0)
Zn(OH)3- 1.892e-21 1.478e-21 -20.723 -20.830 -0.107 (0)
@ -508,7 +508,7 @@ H(0) 0.000e+00
H2 0.000e+00 0.000e+00 -43.278 -43.268 0.010 28.61
N(-3) 0.000e+00
NH4+ 0.000e+00 0.000e+00 -52.884 -53.012 -0.128 18.17
NH3 0.000e+00 0.000e+00 -57.017 -57.007 0.010 24.46
NH3 0.000e+00 0.000e+00 -57.017 -57.007 0.010 24.42
N(0) 1.111e-06
N2 5.553e-07 5.682e-07 -6.255 -6.246 0.010 29.29
N(3) 2.843e-13
@ -521,7 +521,7 @@ Na 9.990e-02
O(0) 2.776e-06
O2 1.388e-06 1.420e-06 -5.858 -5.848 0.010 30.40
Zn 9.910e-08
Zn+2 9.909e-08 3.728e-08 -7.004 -7.428 -0.425 -23.59
Zn+2 9.909e-08 3.728e-08 -7.004 -7.428 -0.425 -24.68
ZnOH+ 9.274e-12 7.245e-12 -11.033 -11.140 -0.107 (0)
Zn(OH)2 1.441e-14 1.474e-14 -13.841 -13.831 0.010 (0)
Zn(OH)3- 1.058e-20 8.262e-21 -19.976 -20.083 -0.107 (0)
@ -645,7 +645,7 @@ H(0) 0.000e+00
H2 0.000e+00 0.000e+00 -43.206 -43.196 0.010 28.61
N(-3) 0.000e+00
NH4+ 0.000e+00 0.000e+00 -53.099 -53.227 -0.128 18.17
NH3 0.000e+00 0.000e+00 -56.981 -56.971 0.010 24.46
NH3 0.000e+00 0.000e+00 -56.981 -56.971 0.010 24.42
N(0) 7.992e-07
N2 3.996e-07 4.089e-07 -6.398 -6.388 0.010 29.29
N(3) 3.351e-13
@ -658,7 +658,7 @@ Na 9.991e-02
O(0) 1.998e-06
O2 9.990e-07 1.022e-06 -6.000 -5.990 0.010 30.40
Zn 9.759e-08
Zn+2 9.757e-08 3.671e-08 -7.011 -7.435 -0.425 -23.59
Zn+2 9.757e-08 3.671e-08 -7.011 -7.435 -0.425 -24.68
ZnOH+ 1.624e-11 1.269e-11 -10.789 -10.897 -0.107 (0)
Zn(OH)2 4.486e-14 4.590e-14 -13.348 -13.338 0.010 (0)
Zn(OH)3- 5.855e-20 4.574e-20 -19.232 -19.340 -0.107 (0)
@ -782,7 +782,7 @@ H(0) 0.000e+00
H2 0.000e+00 0.000e+00 -43.135 -43.125 0.010 28.61
N(-3) 0.000e+00
NH4+ 0.000e+00 0.000e+00 -53.313 -53.441 -0.128 18.17
NH3 0.000e+00 0.000e+00 -56.945 -56.935 0.010 24.46
NH3 0.000e+00 0.000e+00 -56.945 -56.935 0.010 24.42
N(0) 5.752e-07
N2 2.876e-07 2.943e-07 -6.541 -6.531 0.010 29.29
N(3) 3.950e-13
@ -795,7 +795,7 @@ Na 9.993e-02
O(0) 1.438e-06
O2 7.190e-07 7.357e-07 -6.143 -6.133 0.010 30.40
Zn 9.369e-08
Zn+2 9.367e-08 3.524e-08 -7.028 -7.453 -0.425 -23.59
Zn+2 9.367e-08 3.524e-08 -7.028 -7.453 -0.425 -24.68
ZnOH+ 2.772e-11 2.165e-11 -10.557 -10.664 -0.107 (0)
Zn(OH)2 1.362e-13 1.393e-13 -12.866 -12.856 0.010 (0)
Zn(OH)3- 3.161e-19 2.469e-19 -18.500 -18.607 -0.107 (0)
@ -919,7 +919,7 @@ H(0) 0.000e+00
H2 0.000e+00 0.000e+00 -43.063 -43.053 0.010 28.61
N(-3) 0.000e+00
NH4+ 0.000e+00 0.000e+00 -53.527 -53.655 -0.128 18.17
NH3 0.000e+00 0.000e+00 -56.909 -56.899 0.010 24.46
NH3 0.000e+00 0.000e+00 -56.909 -56.899 0.010 24.42
N(0) 4.140e-07
N2 2.070e-07 2.118e-07 -6.684 -6.674 0.010 29.29
N(3) 4.657e-13
@ -932,7 +932,7 @@ Na 9.994e-02
O(0) 1.035e-06
O2 5.174e-07 5.295e-07 -6.286 -6.276 0.010 30.40
Zn 8.454e-08
Zn+2 8.450e-08 3.179e-08 -7.073 -7.498 -0.425 -23.59
Zn+2 8.450e-08 3.179e-08 -7.073 -7.498 -0.425 -24.68
ZnOH+ 4.447e-11 3.474e-11 -10.352 -10.459 -0.107 (0)
Zn(OH)2 3.884e-13 3.975e-13 -12.411 -12.401 0.010 (0)
Zn(OH)3- 1.603e-18 1.253e-18 -17.795 -17.902 -0.107 (0)
@ -1056,7 +1056,7 @@ H(0) 0.000e+00
H2 0.000e+00 0.000e+00 -42.992 -42.982 0.010 28.61
N(-3) 0.000e+00
NH4+ 0.000e+00 0.000e+00 -53.741 -53.869 -0.128 18.17
NH3 0.000e+00 0.000e+00 -56.874 -56.864 0.010 24.46
NH3 0.000e+00 0.000e+00 -56.874 -56.864 0.010 24.42
N(0) 2.979e-07
N2 1.490e-07 1.524e-07 -6.827 -6.817 0.010 29.29
N(3) 5.489e-13
@ -1069,7 +1069,7 @@ Na 9.995e-02
O(0) 7.448e-07
O2 3.724e-07 3.811e-07 -6.429 -6.419 0.010 30.40
Zn 6.679e-08
Zn+2 6.673e-08 2.510e-08 -7.176 -7.600 -0.425 -23.59
Zn+2 6.673e-08 2.510e-08 -7.176 -7.600 -0.425 -24.68
ZnOH+ 6.244e-11 4.878e-11 -10.205 -10.312 -0.107 (0)
Zn(OH)2 9.700e-13 9.926e-13 -12.013 -12.003 0.010 (0)
Zn(OH)3- 7.121e-18 5.563e-18 -17.147 -17.255 -0.107 (0)
@ -1193,7 +1193,7 @@ H(0) 0.000e+00
H2 0.000e+00 0.000e+00 -42.921 -42.911 0.010 28.61
N(-3) 0.000e+00
NH4+ 0.000e+00 0.000e+00 -53.956 -54.084 -0.128 18.17
NH3 0.000e+00 0.000e+00 -56.838 -56.828 0.010 24.46
NH3 0.000e+00 0.000e+00 -56.838 -56.828 0.010 24.42
N(0) 2.144e-07
N2 1.072e-07 1.097e-07 -6.970 -6.960 0.010 29.29
N(3) 6.470e-13
@ -1206,7 +1206,7 @@ Na 9.996e-02
O(0) 5.360e-07
O2 2.680e-07 2.742e-07 -6.572 -6.562 0.010 30.40
Zn 4.243e-08
Zn+2 4.236e-08 1.594e-08 -7.373 -7.798 -0.425 -23.59
Zn+2 4.236e-08 1.594e-08 -7.373 -7.798 -0.425 -24.68
ZnOH+ 7.049e-11 5.507e-11 -10.152 -10.259 -0.107 (0)
Zn(OH)2 1.947e-12 1.993e-12 -11.711 -11.701 0.010 (0)
Zn(OH)3- 2.542e-17 1.986e-17 -16.595 -16.702 -0.107 (0)
@ -1330,7 +1330,7 @@ H(0) 0.000e+00
H2 0.000e+00 0.000e+00 -42.849 -42.839 0.010 28.61
N(-3) 0.000e+00
NH4+ 0.000e+00 0.000e+00 -54.170 -54.298 -0.128 18.17
NH3 0.000e+00 0.000e+00 -56.802 -56.792 0.010 24.46
NH3 0.000e+00 0.000e+00 -56.802 -56.792 0.010 24.42
N(0) 1.543e-07
N2 7.715e-08 7.895e-08 -7.113 -7.103 0.010 29.29
N(3) 7.627e-13
@ -1343,7 +1343,7 @@ Na 9.997e-02
O(0) 3.858e-07
O2 1.929e-07 1.974e-07 -6.715 -6.705 0.010 30.40
Zn 2.114e-08
Zn+2 2.108e-08 7.929e-09 -7.676 -8.101 -0.425 -23.59
Zn+2 2.108e-08 7.929e-09 -7.676 -8.101 -0.425 -24.68
ZnOH+ 6.237e-11 4.872e-11 -10.205 -10.312 -0.107 (0)
Zn(OH)2 3.064e-12 3.135e-12 -11.514 -11.504 0.010 (0)
Zn(OH)3- 7.112e-17 5.556e-17 -16.148 -16.255 -0.107 (0)
@ -1467,7 +1467,7 @@ H(0) 0.000e+00
H2 0.000e+00 0.000e+00 -42.778 -42.768 0.010 28.61
N(-3) 0.000e+00
NH4+ 0.000e+00 0.000e+00 -54.384 -54.512 -0.128 18.17
NH3 0.000e+00 0.000e+00 -56.767 -56.757 0.010 24.46
NH3 0.000e+00 0.000e+00 -56.767 -56.757 0.010 24.42
N(0) 1.111e-07
N2 5.553e-08 5.682e-08 -7.256 -7.246 0.010 29.29
N(3) 8.991e-13
@ -1480,7 +1480,7 @@ Na 9.998e-02
O(0) 2.776e-07
O2 1.388e-07 1.420e-07 -6.858 -6.848 0.010 30.40
Zn 8.811e-09
Zn+2 8.761e-09 3.296e-09 -8.057 -8.482 -0.425 -23.59
Zn+2 8.761e-09 3.296e-09 -8.057 -8.482 -0.425 -24.68
ZnOH+ 4.610e-11 3.601e-11 -10.336 -10.444 -0.107 (0)
Zn(OH)2 4.027e-12 4.121e-12 -11.395 -11.385 0.010 (0)
Zn(OH)3- 1.662e-16 1.299e-16 -15.779 -15.886 -0.107 (0)
@ -1604,7 +1604,7 @@ H(0) 0.000e+00
H2 0.000e+00 0.000e+00 -42.706 -42.696 0.010 28.61
N(-3) 0.000e+00
NH4+ 0.000e+00 0.000e+00 -54.599 -54.727 -0.128 18.17
NH3 0.000e+00 0.000e+00 -56.731 -56.721 0.010 24.46
NH3 0.000e+00 0.000e+00 -56.731 -56.721 0.010 24.42
N(0) 7.992e-08
N2 3.996e-08 4.089e-08 -7.398 -7.388 0.010 29.29
N(3) 1.060e-12
@ -1617,7 +1617,7 @@ Na 9.998e-02
O(0) 1.998e-07
O2 9.990e-08 1.022e-07 -7.000 -6.990 0.010 30.40
Zn 3.340e-09
Zn+2 3.304e-09 1.243e-09 -8.481 -8.905 -0.425 -23.59
Zn+2 3.304e-09 1.243e-09 -8.481 -8.905 -0.425 -24.68
ZnOH+ 3.092e-11 2.416e-11 -10.510 -10.617 -0.107 (0)
Zn(OH)2 4.803e-12 4.915e-12 -11.318 -11.308 0.010 (0)
Zn(OH)3- 3.526e-16 2.755e-16 -15.453 -15.560 -0.107 (0)
@ -1741,7 +1741,7 @@ H(0) 0.000e+00
H2 0.000e+00 0.000e+00 -42.635 -42.625 0.010 28.61
N(-3) 0.000e+00
NH4+ 0.000e+00 0.000e+00 -54.813 -54.941 -0.128 18.17
NH3 0.000e+00 0.000e+00 -56.695 -56.685 0.010 24.46
NH3 0.000e+00 0.000e+00 -56.695 -56.685 0.010 24.42
N(0) 5.752e-08
N2 2.876e-08 2.943e-08 -7.541 -7.531 0.010 29.29
N(3) 1.249e-12
@ -1754,7 +1754,7 @@ Na 9.999e-02
O(0) 1.438e-07
O2 7.190e-08 7.357e-08 -7.143 -7.133 0.010 30.40
Zn 1.217e-09
Zn+2 1.192e-09 4.484e-10 -8.924 -9.348 -0.425 -23.59
Zn+2 1.192e-09 4.484e-10 -8.924 -9.348 -0.425 -24.68
ZnOH+ 1.983e-11 1.549e-11 -10.703 -10.810 -0.107 (0)
Zn(OH)2 5.479e-12 5.606e-12 -11.261 -11.251 0.010 (0)
Zn(OH)3- 7.152e-16 5.587e-16 -15.146 -15.253 -0.107 (0)
@ -1878,7 +1878,7 @@ H(0) 0.000e+00
H2 0.000e+00 0.000e+00 -42.563 -42.553 0.010 28.61
N(-3) 0.000e+00
NH4+ 0.000e+00 0.000e+00 -55.027 -55.155 -0.128 18.17
NH3 0.000e+00 0.000e+00 -56.659 -56.649 0.010 24.46
NH3 0.000e+00 0.000e+00 -56.659 -56.649 0.010 24.42
N(0) 4.139e-08
N2 2.070e-08 2.118e-08 -7.684 -7.674 0.010 29.29
N(3) 1.473e-12
@ -1891,7 +1891,7 @@ Na 1.000e-01
O(0) 1.035e-07
O2 5.174e-08 5.295e-08 -7.286 -7.276 0.010 30.40
Zn 4.403e-10
Zn+2 4.217e-10 1.586e-10 -9.375 -9.800 -0.425 -23.59
Zn+2 4.217e-10 1.586e-10 -9.375 -9.800 -0.425 -24.68
ZnOH+ 1.248e-11 9.748e-12 -10.904 -11.011 -0.107 (0)
Zn(OH)2 6.129e-12 6.272e-12 -11.213 -11.203 0.010 (0)
Zn(OH)3- 1.423e-15 1.112e-15 -14.847 -14.954 -0.107 (0)
@ -2015,7 +2015,7 @@ H(0) 0.000e+00
H2 0.000e+00 0.000e+00 -42.492 -42.482 0.010 28.61
N(-3) 0.000e+00
NH4+ 0.000e+00 0.000e+00 -55.241 -55.369 -0.128 18.17
NH3 0.000e+00 0.000e+00 -56.624 -56.614 0.010 24.46
NH3 0.000e+00 0.000e+00 -56.624 -56.614 0.010 24.42
N(0) 2.979e-08
N2 1.490e-08 1.524e-08 -7.827 -7.817 0.010 29.29
N(3) 1.736e-12
@ -2028,7 +2028,7 @@ Na 1.000e-01
O(0) 7.448e-08
O2 3.724e-08 3.811e-08 -7.429 -7.419 0.010 30.40
Zn 1.628e-10
Zn+2 1.482e-10 5.574e-11 -9.829 -10.254 -0.425 -23.59
Zn+2 1.482e-10 5.574e-11 -9.829 -10.254 -0.425 -24.68
ZnOH+ 7.797e-12 6.091e-12 -11.108 -11.215 -0.107 (0)
Zn(OH)2 6.811e-12 6.969e-12 -11.167 -11.157 0.010 (0)
Zn(OH)3- 2.812e-15 2.196e-15 -14.551 -14.658 -0.107 (0)
@ -2184,7 +2184,7 @@ H(0) 0.000e+00
H2 0.000e+00 0.000e+00 -43.349 -43.339 0.010 28.61
N(-3) 0.000e+00
NH4+ 0.000e+00 0.000e+00 -52.670 -52.798 -0.128 18.17
NH3 0.000e+00 0.000e+00 -57.052 -57.042 0.010 24.46
NH3 0.000e+00 0.000e+00 -57.052 -57.042 0.010 24.42
N(0) 1.543e-06
N2 7.716e-07 7.896e-07 -6.113 -6.103 0.010 29.29
N(3) 2.412e-13
@ -2197,7 +2197,7 @@ Na 9.967e-02
O(0) 3.857e-06
O2 1.929e-06 1.974e-06 -5.715 -5.705 0.010 30.40
Zn 9.969e-05
Zn+2 9.969e-05 3.749e-05 -4.001 -4.426 -0.425 -23.59
Zn+2 9.969e-05 3.749e-05 -4.001 -4.426 -0.425 -24.68
ZnOH+ 5.245e-09 4.097e-09 -8.280 -8.388 -0.107 (0)
Zn(OH)2 4.582e-12 4.688e-12 -11.339 -11.329 0.010 (0)
Zn(OH)3- 1.891e-18 1.478e-18 -17.723 -17.830 -0.107 (0)
@ -2321,7 +2321,7 @@ H(0) 0.000e+00
H2 0.000e+00 0.000e+00 -43.278 -43.268 0.010 28.61
N(-3) 0.000e+00
NH4+ 0.000e+00 0.000e+00 -52.884 -53.012 -0.128 18.17
NH3 0.000e+00 0.000e+00 -57.017 -57.007 0.010 24.46
NH3 0.000e+00 0.000e+00 -57.017 -57.007 0.010 24.42
N(0) 1.110e-06
N2 5.552e-07 5.682e-07 -6.256 -6.246 0.010 29.29
N(3) 2.843e-13
@ -2334,7 +2334,7 @@ Na 9.970e-02
O(0) 2.776e-06
O2 1.388e-06 1.420e-06 -5.858 -5.848 0.010 30.40
Zn 9.923e-05
Zn+2 9.922e-05 3.732e-05 -4.003 -4.428 -0.425 -23.59
Zn+2 9.922e-05 3.732e-05 -4.003 -4.428 -0.425 -24.68
ZnOH+ 9.283e-09 7.252e-09 -8.032 -8.140 -0.107 (0)
Zn(OH)2 1.442e-11 1.476e-11 -10.841 -10.831 0.010 (0)
Zn(OH)3- 1.059e-17 8.270e-18 -16.975 -17.083 -0.107 (0)
@ -2458,7 +2458,7 @@ H(0) 0.000e+00
H2 0.000e+00 0.000e+00 -43.206 -43.196 0.010 28.61
N(-3) 0.000e+00
NH4+ 0.000e+00 0.000e+00 -53.099 -53.227 -0.128 18.17
NH3 0.000e+00 0.000e+00 -56.981 -56.971 0.010 24.46
NH3 0.000e+00 0.000e+00 -56.981 -56.971 0.010 24.42
N(0) 7.992e-07
N2 3.996e-07 4.089e-07 -6.398 -6.388 0.010 29.29
N(3) 3.351e-13
@ -2471,7 +2471,7 @@ Na 9.972e-02
O(0) 1.998e-06
O2 9.990e-07 1.022e-06 -6.000 -5.990 0.010 30.40
Zn 9.832e-05
Zn+2 9.830e-05 3.697e-05 -4.007 -4.432 -0.425 -23.59
Zn+2 9.830e-05 3.697e-05 -4.007 -4.432 -0.425 -24.68
ZnOH+ 1.636e-08 1.278e-08 -7.786 -7.894 -0.107 (0)
Zn(OH)2 4.518e-11 4.623e-11 -10.345 -10.335 0.010 (0)
Zn(OH)3- 5.898e-17 4.607e-17 -16.229 -16.337 -0.107 (0)
@ -2595,7 +2595,7 @@ H(0) 0.000e+00
H2 0.000e+00 0.000e+00 -43.135 -43.125 0.010 28.61
N(-3) 0.000e+00
NH4+ 0.000e+00 0.000e+00 -53.313 -53.441 -0.128 18.17
NH3 0.000e+00 0.000e+00 -56.945 -56.935 0.010 24.46
NH3 0.000e+00 0.000e+00 -56.945 -56.935 0.010 24.42
N(0) 5.751e-07
N2 2.876e-07 2.943e-07 -6.541 -6.531 0.010 29.29
N(3) 3.950e-13
@ -2608,7 +2608,7 @@ Na 9.973e-02
O(0) 1.438e-06
O2 7.189e-07 7.357e-07 -6.143 -6.133 0.010 30.40
Zn 9.698e-05
Zn+2 9.695e-05 3.646e-05 -4.013 -4.438 -0.425 -23.59
Zn+2 9.695e-05 3.646e-05 -4.013 -4.438 -0.425 -24.68
ZnOH+ 2.868e-08 2.241e-08 -7.542 -7.650 -0.107 (0)
Zn(OH)2 1.409e-10 1.442e-10 -9.851 -9.841 0.010 (0)
Zn(OH)3- 3.271e-16 2.555e-16 -15.485 -15.593 -0.107 (0)
@ -2732,7 +2732,7 @@ H(0) 0.000e+00
H2 0.000e+00 0.000e+00 -43.063 -43.053 0.010 28.61
N(-3) 0.000e+00
NH4+ 0.000e+00 0.000e+00 -53.527 -53.655 -0.128 18.17
NH3 0.000e+00 0.000e+00 -56.909 -56.899 0.010 24.46
NH3 0.000e+00 0.000e+00 -56.909 -56.899 0.010 24.42
N(0) 4.139e-07
N2 2.070e-07 2.118e-07 -6.684 -6.674 0.010 29.29
N(3) 4.657e-13
@ -2745,7 +2745,7 @@ Na 9.975e-02
O(0) 1.035e-06
O2 5.174e-07 5.295e-07 -6.286 -6.276 0.010 30.40
Zn 9.549e-05
Zn+2 9.544e-05 3.589e-05 -4.020 -4.445 -0.425 -23.59
Zn+2 9.544e-05 3.589e-05 -4.020 -4.445 -0.425 -24.68
ZnOH+ 5.021e-08 3.922e-08 -7.299 -7.406 -0.107 (0)
Zn(OH)2 4.386e-10 4.488e-10 -9.358 -9.348 0.010 (0)
Zn(OH)3- 1.811e-15 1.414e-15 -14.742 -14.849 -0.107 (0)
@ -2869,7 +2869,7 @@ H(0) 0.000e+00
H2 0.000e+00 0.000e+00 -42.992 -42.982 0.010 28.61
N(-3) 0.000e+00
NH4+ 0.000e+00 0.000e+00 -53.741 -53.869 -0.128 18.17
NH3 0.000e+00 0.000e+00 -56.874 -56.864 0.010 24.46
NH3 0.000e+00 0.000e+00 -56.874 -56.864 0.010 24.42
N(0) 2.979e-07
N2 1.490e-07 1.524e-07 -6.827 -6.817 0.010 29.29
N(3) 5.489e-13
@ -2882,7 +2882,7 @@ Na 9.976e-02
O(0) 7.447e-07
O2 3.723e-07 3.810e-07 -6.429 -6.419 0.010 30.40
Zn 9.374e-05
Zn+2 9.365e-05 3.522e-05 -4.028 -4.453 -0.425 -23.59
Zn+2 9.365e-05 3.522e-05 -4.028 -4.453 -0.425 -24.68
ZnOH+ 8.762e-08 6.845e-08 -7.057 -7.165 -0.107 (0)
Zn(OH)2 1.361e-09 1.393e-09 -8.866 -8.856 0.010 (0)
Zn(OH)3- 9.992e-15 7.805e-15 -14.000 -14.108 -0.107 (0)
@ -3006,7 +3006,7 @@ H(0) 0.000e+00
H2 0.000e+00 0.000e+00 -42.921 -42.910 0.010 28.61
N(-3) 0.000e+00
NH4+ 0.000e+00 0.000e+00 -53.955 -54.084 -0.128 18.17
NH3 0.000e+00 0.000e+00 -56.838 -56.828 0.010 24.46
NH3 0.000e+00 0.000e+00 -56.838 -56.828 0.010 24.42
N(0) 2.145e-07
N2 1.072e-07 1.097e-07 -6.970 -6.960 0.010 29.29
N(3) 6.471e-13
@ -3019,7 +3019,7 @@ Na 9.978e-02
O(0) 5.359e-07
O2 2.679e-07 2.742e-07 -6.572 -6.562 0.010 30.40
Zn 9.075e-05
Zn+2 9.059e-05 3.407e-05 -4.043 -4.468 -0.425 -23.59
Zn+2 9.059e-05 3.407e-05 -4.043 -4.468 -0.425 -24.68
ZnOH+ 1.507e-07 1.177e-07 -6.822 -6.929 -0.107 (0)
Zn(OH)2 4.163e-09 4.260e-09 -8.381 -8.371 0.010 (0)
Zn(OH)3- 5.435e-14 4.246e-14 -13.265 -13.372 -0.107 (0)
@ -3143,7 +3143,7 @@ H(0) 0.000e+00
H2 0.000e+00 0.000e+00 -42.849 -42.839 0.010 28.61
N(-3) 0.000e+00
NH4+ 0.000e+00 0.000e+00 -54.169 -54.297 -0.128 18.17
NH3 0.000e+00 0.000e+00 -56.802 -56.792 0.010 24.46
NH3 0.000e+00 0.000e+00 -56.802 -56.792 0.010 24.42
N(0) 1.545e-07
N2 7.727e-08 7.907e-08 -7.112 -7.102 0.010 29.29
N(3) 7.630e-13
@ -3156,7 +3156,7 @@ Na 9.980e-02
O(0) 3.855e-07
O2 1.927e-07 1.972e-07 -6.715 -6.705 0.010 30.40
Zn 8.484e-05
Zn+2 8.458e-05 3.181e-05 -4.073 -4.497 -0.425 -23.59
Zn+2 8.458e-05 3.181e-05 -4.073 -4.497 -0.425 -24.68
ZnOH+ 2.502e-07 1.955e-07 -6.602 -6.709 -0.107 (0)
Zn(OH)2 1.229e-08 1.258e-08 -7.910 -7.900 0.010 (0)
Zn(OH)3- 2.854e-13 2.229e-13 -12.545 -12.652 -0.107 (0)
@ -3280,7 +3280,7 @@ H(0) 0.000e+00
H2 0.000e+00 0.000e+00 -42.778 -42.768 0.010 28.61
N(-3) 0.000e+00
NH4+ 0.000e+00 0.000e+00 -54.384 -54.512 -0.128 18.17
NH3 0.000e+00 0.000e+00 -56.767 -56.757 0.010 24.46
NH3 0.000e+00 0.000e+00 -56.767 -56.757 0.010 24.42
N(0) 1.110e-07
N2 5.552e-08 5.682e-08 -7.256 -7.246 0.010 29.29
N(3) 8.991e-13
@ -3293,7 +3293,7 @@ Na 9.982e-02
O(0) 2.776e-07
O2 1.388e-07 1.420e-07 -6.858 -6.848 0.010 30.40
Zn 7.503e-05
Zn+2 7.460e-05 2.806e-05 -4.127 -4.552 -0.425 -23.59
Zn+2 7.460e-05 2.806e-05 -4.127 -4.552 -0.425 -24.68
ZnOH+ 3.925e-07 3.066e-07 -6.406 -6.513 -0.107 (0)
Zn(OH)2 3.428e-08 3.508e-08 -7.465 -7.455 0.010 (0)
Zn(OH)3- 1.415e-12 1.106e-12 -11.849 -11.956 -0.107 (0)
@ -3417,7 +3417,7 @@ H(0) 0.000e+00
H2 0.000e+00 0.000e+00 -42.706 -42.696 0.010 28.61
N(-3) 0.000e+00
NH4+ 0.000e+00 0.000e+00 -54.598 -54.727 -0.128 18.17
NH3 0.000e+00 0.000e+00 -56.731 -56.721 0.010 24.46
NH3 0.000e+00 0.000e+00 -56.731 -56.721 0.010 24.42
N(0) 7.993e-08
N2 3.997e-08 4.090e-08 -7.398 -7.388 0.010 29.29
N(3) 1.060e-12
@ -3430,7 +3430,7 @@ Na 9.985e-02
O(0) 1.998e-07
O2 9.989e-08 1.022e-07 -7.000 -6.990 0.010 30.40
Zn 6.248e-05
Zn+2 6.181e-05 2.325e-05 -4.209 -4.634 -0.425 -23.59
Zn+2 6.181e-05 2.325e-05 -4.209 -4.634 -0.425 -24.68
ZnOH+ 5.783e-07 4.517e-07 -6.238 -6.345 -0.107 (0)
Zn(OH)2 8.983e-08 9.192e-08 -7.047 -7.037 0.010 (0)
Zn(OH)3- 6.595e-12 5.152e-12 -11.181 -11.288 -0.107 (0)
@ -3554,7 +3554,7 @@ H(0) 0.000e+00
H2 0.000e+00 0.000e+00 -42.635 -42.625 0.010 28.61
N(-3) 0.000e+00
NH4+ 0.000e+00 0.000e+00 -54.812 -54.940 -0.128 18.17
NH3 0.000e+00 0.000e+00 -56.695 -56.685 0.010 24.46
NH3 0.000e+00 0.000e+00 -56.695 -56.685 0.010 24.42
N(0) 5.760e-08
N2 2.880e-08 2.947e-08 -7.541 -7.531 0.010 29.29
N(3) 1.250e-12
@ -3567,7 +3567,7 @@ Na 9.988e-02
O(0) 1.437e-07
O2 7.185e-08 7.353e-08 -7.144 -7.134 0.010 30.40
Zn 4.944e-05
Zn+2 4.841e-05 1.821e-05 -4.315 -4.740 -0.425 -23.59
Zn+2 4.841e-05 1.821e-05 -4.315 -4.740 -0.425 -24.68
ZnOH+ 8.055e-07 6.292e-07 -6.094 -6.201 -0.107 (0)
Zn(OH)2 2.225e-07 2.277e-07 -6.653 -6.643 0.010 (0)
Zn(OH)3- 2.905e-11 2.269e-11 -10.537 -10.644 -0.107 (0)
@ -3691,7 +3691,7 @@ H(0) 0.000e+00
H2 0.000e+00 0.000e+00 -42.563 -42.553 0.010 28.61
N(-3) 0.000e+00
NH4+ 0.000e+00 0.000e+00 -55.025 -55.153 -0.128 18.17
NH3 0.000e+00 0.000e+00 -56.657 -56.647 0.010 24.46
NH3 0.000e+00 0.000e+00 -56.657 -56.647 0.010 24.42
N(0) 4.167e-08
N2 2.083e-08 2.132e-08 -7.681 -7.671 0.010 29.29
N(3) 1.475e-12
@ -3704,7 +3704,7 @@ Na 9.991e-02
O(0) 1.032e-07
O2 5.161e-08 5.281e-08 -7.287 -7.277 0.010 30.40
Zn 3.752e-05
Zn+2 3.594e-05 1.352e-05 -4.444 -4.869 -0.425 -23.59
Zn+2 3.594e-05 1.352e-05 -4.444 -4.869 -0.425 -24.68
ZnOH+ 1.063e-06 8.307e-07 -5.973 -6.081 -0.107 (0)
Zn(OH)2 5.223e-07 5.345e-07 -6.282 -6.272 0.010 (0)
Zn(OH)3- 1.213e-10 9.473e-11 -9.916 -10.024 -0.107 (0)
@ -3828,7 +3828,7 @@ H(0) 0.000e+00
H2 0.000e+00 0.000e+00 -42.492 -42.482 0.010 28.61
N(-3) 0.000e+00
NH4+ 0.000e+00 0.000e+00 -55.241 -55.369 -0.128 18.17
NH3 0.000e+00 0.000e+00 -56.624 -56.614 0.010 24.46
NH3 0.000e+00 0.000e+00 -56.624 -56.614 0.010 24.42
N(0) 2.979e-08
N2 1.490e-08 1.524e-08 -7.827 -7.817 0.010 29.29
N(3) 1.736e-12
@ -3841,7 +3841,7 @@ Na 9.993e-02
O(0) 7.448e-08
O2 3.724e-08 3.811e-08 -7.429 -7.419 0.010 30.40
Zn 2.762e-05
Zn+2 2.514e-05 9.458e-06 -4.600 -5.024 -0.425 -23.59
Zn+2 2.514e-05 9.458e-06 -4.600 -5.024 -0.425 -24.68
ZnOH+ 1.323e-06 1.033e-06 -5.878 -5.986 -0.107 (0)
Zn(OH)2 1.156e-06 1.183e-06 -5.937 -5.927 0.010 (0)
Zn(OH)3- 4.771e-10 3.727e-10 -9.321 -9.429 -0.107 (0)
@ -3880,6 +3880,6 @@ Reading input data for simulation 34.
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End of Run after 0.04 Seconds.
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2
ex9.out
View File

@ -1355,6 +1355,6 @@ Reading input data for simulation 3.
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End of Run after 0.04 Seconds.
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