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Linux version of all examples for version 3.

Browse Source 
Linux version of mytest with new gas.dat from Tony.

Updated Makefile for compiling on Linux.


git-svn-id: svn://136.177.114.72/svn_GW/phreeqcpp/branches/ErrorHandling@5861 1feff8c3-07ed-0310-ac33-dd36852eb9cd
This commit is contained in:
David L Parkhurst 2011-12-05 20:07:54 +00:00
parent 384ebda905
commit 5e04484bdb
45 changed files with 49823 additions and 49888 deletions
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18
Zn1e_4
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@ -7,17 +7,17 @@ END
USE solution 2; USE surface 1 USE solution 2; USE surface 1
EQUILIBRIUM_PHASES 1 EQUILIBRIUM_PHASES 1
Fix_H+ -5.2500e+000 NaOH 10.0 Fix_H+ -5.2500e+00 NaOH 10.0
END END
USE solution 2; USE surface 1 USE solution 2; USE surface 1
EQUILIBRIUM_PHASES 1 EQUILIBRIUM_PHASES 1
Fix_H+ -5.5000e+000 NaOH 10.0 Fix_H+ -5.5000e+00 NaOH 10.0
END END
USE solution 2; USE surface 1 USE solution 2; USE surface 1
EQUILIBRIUM_PHASES 1 EQUILIBRIUM_PHASES 1
Fix_H+ -5.7500e+000 NaOH 10.0 Fix_H+ -5.7500e+00 NaOH 10.0
END END
USE solution 2; USE surface 1 USE solution 2; USE surface 1
@ -27,17 +27,17 @@ END
USE solution 2; USE surface 1 USE solution 2; USE surface 1
EQUILIBRIUM_PHASES 1 EQUILIBRIUM_PHASES 1
Fix_H+ -6.2500e+000 NaOH 10.0 Fix_H+ -6.2500e+00 NaOH 10.0
END END
USE solution 2; USE surface 1 USE solution 2; USE surface 1
EQUILIBRIUM_PHASES 1 EQUILIBRIUM_PHASES 1
Fix_H+ -6.5000e+000 NaOH 10.0 Fix_H+ -6.5000e+00 NaOH 10.0
END END
USE solution 2; USE surface 1 USE solution 2; USE surface 1
EQUILIBRIUM_PHASES 1 EQUILIBRIUM_PHASES 1
Fix_H+ -6.7500e+000 NaOH 10.0 Fix_H+ -6.7500e+00 NaOH 10.0
END END
USE solution 2; USE surface 1 USE solution 2; USE surface 1
@ -47,17 +47,17 @@ END
USE solution 2; USE surface 1 USE solution 2; USE surface 1
EQUILIBRIUM_PHASES 1 EQUILIBRIUM_PHASES 1
Fix_H+ -7.2500e+000 NaOH 10.0 Fix_H+ -7.2500e+00 NaOH 10.0
END END
USE solution 2; USE surface 1 USE solution 2; USE surface 1
EQUILIBRIUM_PHASES 1 EQUILIBRIUM_PHASES 1
Fix_H+ -7.5000e+000 NaOH 10.0 Fix_H+ -7.5000e+00 NaOH 10.0
END END
USE solution 2; USE surface 1 USE solution 2; USE surface 1
EQUILIBRIUM_PHASES 1 EQUILIBRIUM_PHASES 1
Fix_H+ -7.7500e+000 NaOH 10.0 Fix_H+ -7.7500e+00 NaOH 10.0
END END
USE solution 2; USE surface 1 USE solution 2; USE surface 1

18
Zn1e_7
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@ -7,17 +7,17 @@ END
USE solution 1; USE surface 1 USE solution 1; USE surface 1
EQUILIBRIUM_PHASES 1 EQUILIBRIUM_PHASES 1
Fix_H+ -5.2500e+000 NaOH 10.0 Fix_H+ -5.2500e+00 NaOH 10.0
END END
USE solution 1; USE surface 1 USE solution 1; USE surface 1
EQUILIBRIUM_PHASES 1 EQUILIBRIUM_PHASES 1
Fix_H+ -5.5000e+000 NaOH 10.0 Fix_H+ -5.5000e+00 NaOH 10.0
END END
USE solution 1; USE surface 1 USE solution 1; USE surface 1
EQUILIBRIUM_PHASES 1 EQUILIBRIUM_PHASES 1
Fix_H+ -5.7500e+000 NaOH 10.0 Fix_H+ -5.7500e+00 NaOH 10.0
END END
USE solution 1; USE surface 1 USE solution 1; USE surface 1
@ -27,17 +27,17 @@ END
USE solution 1; USE surface 1 USE solution 1; USE surface 1
EQUILIBRIUM_PHASES 1 EQUILIBRIUM_PHASES 1
Fix_H+ -6.2500e+000 NaOH 10.0 Fix_H+ -6.2500e+00 NaOH 10.0
END END
USE solution 1; USE surface 1 USE solution 1; USE surface 1
EQUILIBRIUM_PHASES 1 EQUILIBRIUM_PHASES 1
Fix_H+ -6.5000e+000 NaOH 10.0 Fix_H+ -6.5000e+00 NaOH 10.0
END END
USE solution 1; USE surface 1 USE solution 1; USE surface 1
EQUILIBRIUM_PHASES 1 EQUILIBRIUM_PHASES 1
Fix_H+ -6.7500e+000 NaOH 10.0 Fix_H+ -6.7500e+00 NaOH 10.0
END END
USE solution 1; USE surface 1 USE solution 1; USE surface 1
@ -47,17 +47,17 @@ END
USE solution 1; USE surface 1 USE solution 1; USE surface 1
EQUILIBRIUM_PHASES 1 EQUILIBRIUM_PHASES 1
Fix_H+ -7.2500e+000 NaOH 10.0 Fix_H+ -7.2500e+00 NaOH 10.0
END END
USE solution 1; USE surface 1 USE solution 1; USE surface 1
EQUILIBRIUM_PHASES 1 EQUILIBRIUM_PHASES 1
Fix_H+ -7.5000e+000 NaOH 10.0 Fix_H+ -7.5000e+00 NaOH 10.0
END END
USE solution 1; USE surface 1 USE solution 1; USE surface 1
EQUILIBRIUM_PHASES 1 EQUILIBRIUM_PHASES 1
Fix_H+ -7.7500e+000 NaOH 10.0 Fix_H+ -7.7500e+00 NaOH 10.0
END END
USE solution 1; USE surface 1 USE solution 1; USE surface 1

302
ex1.out
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@ -101,20 +101,20 @@ Initial solution 1. SEAWATER FROM NORDSTROM AND OTHERS (1979)
Elements Molality Moles Elements Molality Moles
Alkalinity 2.406e-003 2.406e-003 Alkalinity 2.406e-03 2.406e-03
Ca 1.066e-002 1.066e-002 Ca 1.066e-02 1.066e-02
Cl 5.657e-001 5.657e-001 Cl 5.657e-01 5.657e-01
Fe 3.711e-008 3.711e-008 Fe 3.711e-08 3.711e-08
K 1.058e-002 1.058e-002 K 1.058e-02 1.058e-02
Mg 5.507e-002 5.507e-002 Mg 5.507e-02 5.507e-02
Mn 3.773e-009 3.773e-009 Mn 3.773e-09 3.773e-09
N(-3) 1.724e-006 1.724e-006 N(-3) 1.724e-06 1.724e-06
N(5) 4.847e-006 4.847e-006 N(5) 4.847e-06 4.847e-06
Na 4.854e-001 4.854e-001 Na 4.854e-01 4.854e-01
O(0) 4.377e-004 4.377e-004 Equilibrium with O2(g) O(0) 4.377e-04 4.377e-04 Equilibrium with O2(g)
S(6) 2.926e-002 2.926e-002 S(6) 2.926e-02 2.926e-02
Si 7.382e-005 7.382e-005 Si 7.382e-05 7.382e-05
U 1.437e-008 1.437e-008 U 1.437e-08 1.437e-08
----------------------------Description of solution---------------------------- ----------------------------Description of solution----------------------------
@ -123,16 +123,16 @@ Initial solution 1. SEAWATER FROM NORDSTROM AND OTHERS (1979)
Specific Conductance (uS/cm, 25 oC) = 52808 Specific Conductance (uS/cm, 25 oC) = 52808
Density (g/cm3) = 1.02329 Density (g/cm3) = 1.02329
Activity of water = 0.981 Activity of water = 0.981
Ionic strength = 6.748e-001 Ionic strength = 6.748e-01
Mass of water (kg) = 1.000e+000 Mass of water (kg) = 1.000e+00
Total carbon (mol/kg) = 2.180e-003 Total carbon (mol/kg) = 2.180e-03
Total CO2 (mol/kg) = 2.180e-003 Total CO2 (mol/kg) = 2.180e-03
Temperature (deg C) = 25.00 Temperature (deg C) = 25.00
Electrical balance (eq) = 7.936e-004 Electrical balance (eq) = 7.936e-04
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.07 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.07
Iterations = 7 Iterations = 7
Total H = 1.110147e+002 Total H = 1.110147e+02
Total O = 5.563054e+001 Total O = 5.563054e+01
---------------------------------Redox couples--------------------------------- ---------------------------------Redox couples---------------------------------
@ -146,136 +146,136 @@ Initial solution 1. SEAWATER FROM NORDSTROM AND OTHERS (1979)
Log Log Log Log Log Log
Species Molality Activity Molality Activity Gamma Species Molality Activity Molality Activity Gamma
OH- 2.674e-006 1.629e-006 -5.573 -5.788 -0.215 OH- 2.674e-06 1.629e-06 -5.573 -5.788 -0.215
H+ 7.981e-009 6.026e-009 -8.098 -8.220 -0.122 H+ 7.981e-09 6.026e-09 -8.098 -8.220 -0.122
H2O 5.551e+001 9.806e-001 1.744 -0.009 0.000 H2O 5.551e+01 9.806e-01 1.744 -0.009 0.000
C(4) 2.180e-003 C(4) 2.180e-03
HCO3- 1.514e-003 1.023e-003 -2.820 -2.990 -0.170 HCO3- 1.514e-03 1.023e-03 -2.820 -2.990 -0.170
MgHCO3+ 2.195e-004 1.640e-004 -3.658 -3.785 -0.127 MgHCO3+ 2.195e-04 1.640e-04 -3.658 -3.785 -0.127
NaHCO3 1.667e-004 1.948e-004 -3.778 -3.710 0.067 NaHCO3 1.667e-04 1.948e-04 -3.778 -3.710 0.067
MgCO3 8.913e-005 1.041e-004 -4.050 -3.982 0.067 MgCO3 8.913e-05 1.041e-04 -4.050 -3.982 0.067
NaCO3- 6.718e-005 5.020e-005 -4.173 -4.299 -0.127 NaCO3- 6.718e-05 5.020e-05 -4.173 -4.299 -0.127
CaHCO3+ 4.597e-005 3.106e-005 -4.337 -4.508 -0.170 CaHCO3+ 4.597e-05 3.106e-05 -4.337 -4.508 -0.170
CO3-2 3.821e-005 7.959e-006 -4.418 -5.099 -0.681 CO3-2 3.821e-05 7.959e-06 -4.418 -5.099 -0.681
CaCO3 2.725e-005 3.183e-005 -4.565 -4.497 0.067 CaCO3 2.725e-05 3.183e-05 -4.565 -4.497 0.067
CO2 1.210e-005 1.413e-005 -4.917 -4.850 0.067 CO2 1.210e-05 1.413e-05 -4.917 -4.850 0.067
UO2(CO3)3-4 1.255e-008 1.184e-010 -7.901 -9.927 -2.025 UO2(CO3)3-4 1.255e-08 1.184e-10 -7.901 -9.927 -2.025
UO2(CO3)2-2 1.814e-009 5.653e-010 -8.741 -9.248 -0.506 UO2(CO3)2-2 1.814e-09 5.653e-10 -8.741 -9.248 -0.506
MnCO3 2.696e-010 3.150e-010 -9.569 -9.502 0.067 MnCO3 2.696e-10 3.150e-10 -9.569 -9.502 0.067
MnHCO3+ 6.077e-011 4.541e-011 -10.216 -10.343 -0.127 MnHCO3+ 6.077e-11 4.541e-11 -10.216 -10.343 -0.127
UO2CO3 7.429e-012 8.678e-012 -11.129 -11.062 0.067 UO2CO3 7.429e-12 8.678e-12 -11.129 -11.062 0.067
FeCO3 1.878e-020 2.194e-020 -19.726 -19.659 0.067 FeCO3 1.878e-20 2.194e-20 -19.726 -19.659 0.067
FeHCO3+ 1.573e-020 1.175e-020 -19.803 -19.930 -0.127 FeHCO3+ 1.573e-20 1.175e-20 -19.803 -19.930 -0.127
Ca 1.066e-002 Ca 1.066e-02
Ca+2 9.504e-003 2.380e-003 -2.022 -2.623 -0.601 Ca+2 9.504e-03 2.380e-03 -2.022 -2.623 -0.601
CaSO4 1.083e-003 1.266e-003 -2.965 -2.898 0.067 CaSO4 1.083e-03 1.266e-03 -2.965 -2.898 0.067
CaHCO3+ 4.597e-005 3.106e-005 -4.337 -4.508 -0.170 CaHCO3+ 4.597e-05 3.106e-05 -4.337 -4.508 -0.170
CaCO3 2.725e-005 3.183e-005 -4.565 -4.497 0.067 CaCO3 2.725e-05 3.183e-05 -4.565 -4.497 0.067
CaOH+ 8.604e-008 6.429e-008 -7.065 -7.192 -0.127 CaOH+ 8.604e-08 6.429e-08 -7.065 -7.192 -0.127
CaHSO4+ 5.979e-011 4.467e-011 -10.223 -10.350 -0.127 CaHSO4+ 5.979e-11 4.467e-11 -10.223 -10.350 -0.127
Cl 5.657e-001 Cl 5.657e-01
Cl- 5.657e-001 3.528e-001 -0.247 -0.452 -0.205 Cl- 5.657e-01 3.528e-01 -0.247 -0.452 -0.205
MnCl+ 9.582e-010 7.160e-010 -9.019 -9.145 -0.127 MnCl+ 9.582e-10 7.160e-10 -9.019 -9.145 -0.127
MnCl2 9.439e-011 1.103e-010 -10.025 -9.958 0.067 MnCl2 9.439e-11 1.103e-10 -10.025 -9.958 0.067
MnCl3- 1.434e-011 1.071e-011 -10.844 -10.970 -0.127 MnCl3- 1.434e-11 1.071e-11 -10.844 -10.970 -0.127
FeCl+2 9.557e-019 2.978e-019 -18.020 -18.526 -0.506 FeCl+2 9.557e-19 2.978e-19 -18.020 -18.526 -0.506
FeCl2+ 6.281e-019 4.693e-019 -18.202 -18.329 -0.127 FeCl2+ 6.281e-19 4.693e-19 -18.202 -18.329 -0.127
FeCl+ 7.488e-020 5.595e-020 -19.126 -19.252 -0.127 FeCl+ 7.488e-20 5.595e-20 -19.126 -19.252 -0.127
FeCl3 1.417e-020 1.656e-020 -19.849 -19.781 0.067 FeCl3 1.417e-20 1.656e-20 -19.849 -19.781 0.067
Fe(2) 6.645e-019 Fe(2) 6.645e-19
Fe+2 5.006e-019 1.149e-019 -18.301 -18.940 -0.639 Fe+2 5.006e-19 1.149e-19 -18.301 -18.940 -0.639
FeCl+ 7.488e-020 5.595e-020 -19.126 -19.252 -0.127 FeCl+ 7.488e-20 5.595e-20 -19.126 -19.252 -0.127
FeSO4 4.660e-020 5.444e-020 -19.332 -19.264 0.067 FeSO4 4.660e-20 5.444e-20 -19.332 -19.264 0.067
FeCO3 1.878e-020 2.194e-020 -19.726 -19.659 0.067 FeCO3 1.878e-20 2.194e-20 -19.726 -19.659 0.067
FeHCO3+ 1.573e-020 1.175e-020 -19.803 -19.930 -0.127 FeHCO3+ 1.573e-20 1.175e-20 -19.803 -19.930 -0.127
FeOH+ 7.913e-021 5.912e-021 -20.102 -20.228 -0.127 FeOH+ 7.913e-21 5.912e-21 -20.102 -20.228 -0.127
FeHSO4+ 2.886e-027 2.156e-027 -26.540 -26.666 -0.127 FeHSO4+ 2.886e-27 2.156e-27 -26.540 -26.666 -0.127
Fe(3) 3.711e-008 Fe(3) 3.711e-08
Fe(OH)3 2.841e-008 3.318e-008 -7.547 -7.479 0.067 Fe(OH)3 2.841e-08 3.318e-08 -7.547 -7.479 0.067
Fe(OH)4- 6.591e-009 4.924e-009 -8.181 -8.308 -0.127 Fe(OH)4- 6.591e-09 4.924e-09 -8.181 -8.308 -0.127
Fe(OH)2+ 2.118e-009 1.583e-009 -8.674 -8.801 -0.127 Fe(OH)2+ 2.118e-09 1.583e-09 -8.674 -8.801 -0.127
FeOH+2 9.425e-014 2.937e-014 -13.026 -13.532 -0.506 FeOH+2 9.425e-14 2.937e-14 -13.026 -13.532 -0.506
FeSO4+ 1.093e-018 8.167e-019 -17.961 -18.088 -0.127 FeSO4+ 1.093e-18 8.167e-19 -17.961 -18.088 -0.127
FeCl+2 9.557e-019 2.978e-019 -18.020 -18.526 -0.506 FeCl+2 9.557e-19 2.978e-19 -18.020 -18.526 -0.506
FeCl2+ 6.281e-019 4.693e-019 -18.202 -18.329 -0.127 FeCl2+ 6.281e-19 4.693e-19 -18.202 -18.329 -0.127
Fe+3 3.509e-019 2.796e-020 -18.455 -19.554 -1.099 Fe+3 3.509e-19 2.796e-20 -18.455 -19.554 -1.099
Fe(SO4)2- 6.372e-020 4.761e-020 -19.196 -19.322 -0.127 Fe(SO4)2- 6.372e-20 4.761e-20 -19.196 -19.322 -0.127
FeCl3 1.417e-020 1.656e-020 -19.849 -19.781 0.067 FeCl3 1.417e-20 1.656e-20 -19.849 -19.781 0.067
Fe2(OH)2+4 2.462e-024 2.322e-026 -23.609 -25.634 -2.025 Fe2(OH)2+4 2.462e-24 2.322e-26 -23.609 -25.634 -2.025
FeHSO4+2 4.228e-026 1.318e-026 -25.374 -25.880 -0.506 FeHSO4+2 4.228e-26 1.318e-26 -25.374 -25.880 -0.506
Fe3(OH)4+5 1.122e-029 7.679e-033 -28.950 -32.115 -3.165 Fe3(OH)4+5 1.122e-29 7.679e-33 -28.950 -32.115 -3.165
H(0) 0.000e+000 H(0) 0.000e+00
H2 0.000e+000 0.000e+000 -44.470 -44.402 0.067 H2 0.000e+00 0.000e+00 -44.470 -44.402 0.067
K 1.058e-002 K 1.058e-02
K+ 1.042e-002 6.495e-003 -1.982 -2.187 -0.205 K+ 1.042e-02 6.495e-03 -1.982 -2.187 -0.205
KSO4- 1.627e-004 1.216e-004 -3.789 -3.915 -0.127 KSO4- 1.627e-04 1.216e-04 -3.789 -3.915 -0.127
KOH 3.137e-009 3.665e-009 -8.503 -8.436 0.067 KOH 3.137e-09 3.665e-09 -8.503 -8.436 0.067
Mg 5.507e-002 Mg 5.507e-02
Mg+2 4.742e-002 1.371e-002 -1.324 -1.863 -0.539 Mg+2 4.742e-02 1.371e-02 -1.324 -1.863 -0.539
MgSO4 7.330e-003 8.562e-003 -2.135 -2.067 0.067 MgSO4 7.330e-03 8.562e-03 -2.135 -2.067 0.067
MgHCO3+ 2.195e-004 1.640e-004 -3.658 -3.785 -0.127 MgHCO3+ 2.195e-04 1.640e-04 -3.658 -3.785 -0.127
MgCO3 8.913e-005 1.041e-004 -4.050 -3.982 0.067 MgCO3 8.913e-05 1.041e-04 -4.050 -3.982 0.067
MgOH+ 1.084e-005 8.100e-006 -4.965 -5.092 -0.127 MgOH+ 1.084e-05 8.100e-06 -4.965 -5.092 -0.127
Mn(2) 3.773e-009 Mn(2) 3.773e-09
Mn+2 2.171e-009 4.982e-010 -8.663 -9.303 -0.639 Mn+2 2.171e-09 4.982e-10 -8.663 -9.303 -0.639
MnCl+ 9.582e-010 7.160e-010 -9.019 -9.145 -0.127 MnCl+ 9.582e-10 7.160e-10 -9.019 -9.145 -0.127
MnCO3 2.696e-010 3.150e-010 -9.569 -9.502 0.067 MnCO3 2.696e-10 3.150e-10 -9.569 -9.502 0.067
MnSO4 2.021e-010 2.360e-010 -9.695 -9.627 0.067 MnSO4 2.021e-10 2.360e-10 -9.695 -9.627 0.067
MnCl2 9.439e-011 1.103e-010 -10.025 -9.958 0.067 MnCl2 9.439e-11 1.103e-10 -10.025 -9.958 0.067
MnHCO3+ 6.077e-011 4.541e-011 -10.216 -10.343 -0.127 MnHCO3+ 6.077e-11 4.541e-11 -10.216 -10.343 -0.127
MnCl3- 1.434e-011 1.071e-011 -10.844 -10.970 -0.127 MnCl3- 1.434e-11 1.071e-11 -10.844 -10.970 -0.127
MnOH+ 2.789e-012 2.084e-012 -11.555 -11.681 -0.127 MnOH+ 2.789e-12 2.084e-12 -11.555 -11.681 -0.127
Mn(NO3)2 1.375e-020 1.607e-020 -19.862 -19.794 0.067 Mn(NO3)2 1.375e-20 1.607e-20 -19.862 -19.794 0.067
Mn(3) 5.993e-026 Mn(3) 5.993e-26
Mn+3 5.993e-026 4.349e-027 -25.222 -26.362 -1.139 Mn+3 5.993e-26 4.349e-27 -25.222 -26.362 -1.139
N(-3) 1.724e-006 N(-3) 1.724e-06
NH4+ 1.609e-006 9.049e-007 -5.794 -6.043 -0.250 NH4+ 1.609e-06 9.049e-07 -5.794 -6.043 -0.250
NH3 7.326e-008 8.558e-008 -7.135 -7.068 0.067 NH3 7.326e-08 8.558e-08 -7.135 -7.068 0.067
NH4SO4- 4.157e-008 3.106e-008 -7.381 -7.508 -0.127 NH4SO4- 4.157e-08 3.106e-08 -7.381 -7.508 -0.127
N(5) 4.847e-006 N(5) 4.847e-06
NO3- 4.847e-006 2.846e-006 -5.314 -5.546 -0.231 NO3- 4.847e-06 2.846e-06 -5.314 -5.546 -0.231
Mn(NO3)2 1.375e-020 1.607e-020 -19.862 -19.794 0.067 Mn(NO3)2 1.375e-20 1.607e-20 -19.862 -19.794 0.067
Na 4.854e-001 Na 4.854e-01
Na+ 4.791e-001 3.387e-001 -0.320 -0.470 -0.151 Na+ 4.791e-01 3.387e-01 -0.320 -0.470 -0.151
NaSO4- 6.053e-003 4.523e-003 -2.218 -2.345 -0.127 NaSO4- 6.053e-03 4.523e-03 -2.218 -2.345 -0.127
NaHCO3 1.667e-004 1.948e-004 -3.778 -3.710 0.067 NaHCO3 1.667e-04 1.948e-04 -3.778 -3.710 0.067
NaCO3- 6.718e-005 5.020e-005 -4.173 -4.299 -0.127 NaCO3- 6.718e-05 5.020e-05 -4.173 -4.299 -0.127
NaOH 3.117e-007 3.641e-007 -6.506 -6.439 0.067 NaOH 3.117e-07 3.641e-07 -6.506 -6.439 0.067
O(0) 4.377e-004 O(0) 4.377e-04
O2 2.189e-004 2.556e-004 -3.660 -3.592 0.067 O2 2.189e-04 2.556e-04 -3.660 -3.592 0.067
S(6) 2.926e-002 S(6) 2.926e-02
SO4-2 1.463e-002 2.664e-003 -1.835 -2.574 -0.740 SO4-2 1.463e-02 2.664e-03 -1.835 -2.574 -0.740
MgSO4 7.330e-003 8.562e-003 -2.135 -2.067 0.067 MgSO4 7.330e-03 8.562e-03 -2.135 -2.067 0.067
NaSO4- 6.053e-003 4.523e-003 -2.218 -2.345 -0.127 NaSO4- 6.053e-03 4.523e-03 -2.218 -2.345 -0.127
CaSO4 1.083e-003 1.266e-003 -2.965 -2.898 0.067 CaSO4 1.083e-03 1.266e-03 -2.965 -2.898 0.067
KSO4- 1.627e-004 1.216e-004 -3.789 -3.915 -0.127 KSO4- 1.627e-04 1.216e-04 -3.789 -3.915 -0.127
NH4SO4- 4.157e-008 3.106e-008 -7.381 -7.508 -0.127 NH4SO4- 4.157e-08 3.106e-08 -7.381 -7.508 -0.127
HSO4- 2.089e-009 1.561e-009 -8.680 -8.807 -0.127 HSO4- 2.089e-09 1.561e-09 -8.680 -8.807 -0.127
MnSO4 2.021e-010 2.360e-010 -9.695 -9.627 0.067 MnSO4 2.021e-10 2.360e-10 -9.695 -9.627 0.067
CaHSO4+ 5.979e-011 4.467e-011 -10.223 -10.350 -0.127 CaHSO4+ 5.979e-11 4.467e-11 -10.223 -10.350 -0.127
FeSO4+ 1.093e-018 8.167e-019 -17.961 -18.088 -0.127 FeSO4+ 1.093e-18 8.167e-19 -17.961 -18.088 -0.127
Fe(SO4)2- 6.372e-020 4.761e-020 -19.196 -19.322 -0.127 Fe(SO4)2- 6.372e-20 4.761e-20 -19.196 -19.322 -0.127
FeSO4 4.660e-020 5.444e-020 -19.332 -19.264 0.067 FeSO4 4.660e-20 5.444e-20 -19.332 -19.264 0.067
FeHSO4+2 4.228e-026 1.318e-026 -25.374 -25.880 -0.506 FeHSO4+2 4.228e-26 1.318e-26 -25.374 -25.880 -0.506
FeHSO4+ 2.886e-027 2.156e-027 -26.540 -26.666 -0.127 FeHSO4+ 2.886e-27 2.156e-27 -26.540 -26.666 -0.127
Si 7.382e-005 Si 7.382e-05
H4SiO4 7.110e-005 8.306e-005 -4.148 -4.081 0.067 H4SiO4 7.110e-05 8.306e-05 -4.148 -4.081 0.067
H3SiO4- 2.720e-006 2.032e-006 -5.565 -5.692 -0.127 H3SiO4- 2.720e-06 2.032e-06 -5.565 -5.692 -0.127
H2SiO4-2 7.362e-011 2.294e-011 -10.133 -10.639 -0.506 H2SiO4-2 7.362e-11 2.294e-11 -10.133 -10.639 -0.506
U(4) 1.034e-021 U(4) 1.034e-21
U(OH)5- 1.034e-021 7.725e-022 -20.985 -21.112 -0.127 U(OH)5- 1.034e-21 7.725e-22 -20.985 -21.112 -0.127
U(OH)4 1.652e-025 1.930e-025 -24.782 -24.715 0.067 U(OH)4 1.652e-25 1.930e-25 -24.782 -24.715 0.067
U+4 0.000e+000 0.000e+000 -46.997 -49.022 -2.025 U+4 0.000e+00 0.000e+00 -46.997 -49.022 -2.025
U(5) 1.622e-018 U(5) 1.622e-18
UO2+ 1.622e-018 1.212e-018 -17.790 -17.916 -0.127 UO2+ 1.622e-18 1.212e-18 -17.790 -17.916 -0.127
U(6) 1.437e-008 U(6) 1.437e-08
UO2(CO3)3-4 1.255e-008 1.184e-010 -7.901 -9.927 -2.025 UO2(CO3)3-4 1.255e-08 1.184e-10 -7.901 -9.927 -2.025
UO2(CO3)2-2 1.814e-009 5.653e-010 -8.741 -9.248 -0.506 UO2(CO3)2-2 1.814e-09 5.653e-10 -8.741 -9.248 -0.506
UO2CO3 7.429e-012 8.678e-012 -11.129 -11.062 0.067 UO2CO3 7.429e-12 8.678e-12 -11.129 -11.062 0.067
UO2OH+ 3.385e-014 2.530e-014 -13.470 -13.597 -0.127 UO2OH+ 3.385e-14 2.530e-14 -13.470 -13.597 -0.127
UO2+2 3.019e-016 9.409e-017 -15.520 -16.026 -0.506 UO2+2 3.019e-16 9.409e-17 -15.520 -16.026 -0.506
(UO2)2(OH)2+2 1.780e-021 5.547e-022 -20.750 -21.256 -0.506 (UO2)2(OH)2+2 1.780e-21 5.547e-22 -20.750 -21.256 -0.506
(UO2)3(OH)5+ 2.908e-023 2.173e-023 -22.536 -22.663 -0.127 (UO2)3(OH)5+ 2.908e-23 2.173e-23 -22.536 -22.663 -0.127
------------------------------Saturation indices------------------------------- ------------------------------Saturation indices-------------------------------

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@ -52,8 +52,8 @@ Initial solution 0. CaCl2
Elements Molality Moles Elements Molality Moles
Ca 6.000e-004 6.000e-004 Ca 6.000e-04 6.000e-04
Cl 1.200e-003 1.200e-003 Cl 1.200e-03 1.200e-03
----------------------------Description of solution---------------------------- ----------------------------Description of solution----------------------------
@ -62,35 +62,35 @@ Initial solution 0. CaCl2
Specific Conductance (uS/cm, 25 oC) = 155 Specific Conductance (uS/cm, 25 oC) = 155
Density (g/cm3) = 0.99711 Density (g/cm3) = 0.99711
Activity of water = 1.000 Activity of water = 1.000
Ionic strength = 1.800e-003 Ionic strength = 1.800e-03
Mass of water (kg) = 1.000e+000 Mass of water (kg) = 1.000e+00
Total alkalinity (eq/kg) = 1.143e-019 Total alkalinity (eq/kg) = 1.156e-19
Total carbon (mol/kg) = 0.000e+000 Total carbon (mol/kg) = 0.000e+00
Total CO2 (mol/kg) = 0.000e+000 Total CO2 (mol/kg) = 0.000e+00
Temperature (deg C) = 25.00 Temperature (deg C) = 25.00
Electrical balance (eq) = 4.101e-018 Electrical balance (eq) = 4.099e-18
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00
Iterations = 4 Iterations = 4
Total H = 1.110124e+002 Total H = 1.110124e+02
Total O = 5.550675e+001 Total O = 5.550675e+01
----------------------------Distribution of species---------------------------- ----------------------------Distribution of species----------------------------
Log Log Log Log Log Log
Species Molality Activity Molality Activity Gamma Species Molality Activity Molality Activity Gamma
H+ 1.052e-007 1.006e-007 -6.978 -6.997 -0.019 H+ 1.052e-07 1.006e-07 -6.978 -6.997 -0.019
OH- 1.043e-007 9.948e-008 -6.982 -7.002 -0.021 OH- 1.043e-07 9.948e-08 -6.982 -7.002 -0.021
H2O 5.551e+001 1.000e+000 1.744 -0.000 0.000 H2O 5.551e+01 1.000e+00 1.744 -0.000 0.000
Ca 6.000e-004 Ca 6.000e-04
Ca+2 6.000e-004 4.985e-004 -3.222 -3.302 -0.081 Ca+2 6.000e-04 4.985e-04 -3.222 -3.302 -0.081
CaOH+ 8.617e-010 8.221e-010 -9.065 -9.085 -0.020 CaOH+ 8.617e-10 8.221e-10 -9.065 -9.085 -0.020
Cl 1.200e-003 Cl 1.200e-03
Cl- 1.200e-003 1.144e-003 -2.921 -2.941 -0.021 Cl- 1.200e-03 1.144e-03 -2.921 -2.941 -0.021
H(0) 0.000e+000 H(0) 0.000e+00
H2 0.000e+000 0.000e+000 -44.404 -44.404 0.000 H2 0.000e+00 0.000e+00 -44.404 -44.404 0.000
O(0) 5.352e-004 O(0) 5.352e-04
O2 2.676e-004 2.677e-004 -3.573 -3.572 0.000 O2 2.676e-04 2.677e-04 -3.573 -3.572 0.000
------------------------------Saturation indices------------------------------- ------------------------------Saturation indices-------------------------------
@ -107,9 +107,9 @@ Initial solution 1. Initial solution for column
Elements Molality Moles Elements Molality Moles
K 2.000e-004 2.000e-004 K 2.000e-04 2.000e-04
N(5) 1.200e-003 1.200e-003 N(5) 1.200e-03 1.200e-03
Na 1.000e-003 1.000e-003 Na 1.000e-03 1.000e-03
----------------------------Description of solution---------------------------- ----------------------------Description of solution----------------------------
@ -118,38 +118,38 @@ Initial solution 1. Initial solution for column
Specific Conductance (uS/cm, 25 oC) = 146 Specific Conductance (uS/cm, 25 oC) = 146
Density (g/cm3) = 0.99706 Density (g/cm3) = 0.99706
Activity of water = 1.000 Activity of water = 1.000
Ionic strength = 1.200e-003 Ionic strength = 1.200e-03
Mass of water (kg) = 1.000e+000 Mass of water (kg) = 1.000e+00
Total alkalinity (eq/kg) = -9.713e-019 Total alkalinity (eq/kg) = -9.547e-19
Total carbon (mol/kg) = 0.000e+000 Total carbon (mol/kg) = 0.000e+00
Total CO2 (mol/kg) = 0.000e+000 Total CO2 (mol/kg) = 0.000e+00
Temperature (deg C) = 25.00 Temperature (deg C) = 25.00
Electrical balance (eq) = -8.333e-017 Electrical balance (eq) = -8.377e-17
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00
Iterations = 3 Iterations = 3
Total H = 1.110124e+002 Total H = 1.110124e+02
Total O = 5.551035e+001 Total O = 5.551035e+01
----------------------------Distribution of species---------------------------- ----------------------------Distribution of species----------------------------
Log Log Log Log Log Log
Species Molality Activity Molality Activity Gamma Species Molality Activity Molality Activity Gamma
H+ 1.040e-007 1.002e-007 -6.983 -6.999 -0.016 H+ 1.040e-07 1.002e-07 -6.983 -6.999 -0.016
OH- 1.039e-007 9.991e-008 -6.983 -7.000 -0.017 OH- 1.039e-07 9.991e-08 -6.983 -7.000 -0.017
H2O 5.551e+001 1.000e+000 1.744 -0.000 0.000 H2O 5.551e+01 1.000e+00 1.744 -0.000 0.000
H(0) 0.000e+000 H(0) 0.000e+00
H2 0.000e+000 0.000e+000 -44.404 -44.404 0.000 H2 0.000e+00 0.000e+00 -44.404 -44.404 0.000
K 2.000e-004 K 2.000e-04
K+ 2.000e-004 1.923e-004 -3.699 -3.716 -0.017 K+ 2.000e-04 1.923e-04 -3.699 -3.716 -0.017
KOH 6.654e-012 6.656e-012 -11.177 -11.177 0.000 KOH 6.654e-12 6.656e-12 -11.177 -11.177 0.000
N(5) 1.200e-003 N(5) 1.200e-03
NO3- 1.200e-003 1.154e-003 -2.921 -2.938 -0.017 NO3- 1.200e-03 1.154e-03 -2.921 -2.938 -0.017
Na 1.000e-003 Na 1.000e-03
Na+ 1.000e-003 9.621e-004 -3.000 -3.017 -0.017 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017
NaOH 6.342e-011 6.344e-011 -10.198 -10.198 0.000 NaOH 6.342e-11 6.344e-11 -10.198 -10.198 0.000
O(0) 5.352e-004 O(0) 5.352e-04
O2 2.676e-004 2.677e-004 -3.572 -3.572 0.000 O2 2.676e-04 2.677e-04 -3.572 -3.572 0.000
------------------------------Saturation indices------------------------------- ------------------------------Saturation indices-------------------------------
@ -179,13 +179,13 @@ Beginning of initial exchange-composition calculations.
Exchange 1. Exchange 1.
X 1.100e-003 mol X 1.100e-03 mol
Equiv- Equivalent Log Equiv- Equivalent Log
Species Moles alents Fraction Gamma Species Moles alents Fraction Gamma
KX 5.507e-004 5.507e-004 5.006e-001 -0.017 KX 5.507e-04 5.507e-04 5.006e-01 -0.017
NaX 5.493e-004 5.493e-004 4.994e-001 -0.017 NaX 5.493e-04 5.493e-04 4.994e-01 -0.017
------------------ ------------------
End of simulation. End of simulation.
@ -380,11 +380,11 @@ WARNING: Dispersivities were read for 1 cells. Last value is used till cell 40.
80 Peclet = 0.08 / 0.002 80 Peclet = 0.08 / 0.002
90 z = (1 - x) / SQRT(4 * x / Peclet) 90 z = (1 - x) / SQRT(4 * x / Peclet)
100 PA = 0 100 PA = 0
110 GOSUB 2000 110 GOSUB 2000 # calculate e_erfc = exp(PA) * erfc(z)
120 e_erfc1 = e_erfc 120 e_erfc1 = e_erfc
130 z = (1 + x) / SQRT(4 * x / Peclet) 130 z = (1 + x) / SQRT(4 * x / Peclet)
140 PA = Peclet 140 PA = Peclet
150 GOSUB 2000 150 GOSUB 2000 # calculate exp(PA) * erfc(z)
160 y = 0.6 * (e_erfc1 + e_erfc) 160 y = 0.6 * (e_erfc1 + e_erfc)
170 PLOT_XY x, y, line_width = 0, symbol = Circle, color = Red 170 PLOT_XY x, y, line_width = 0, symbol = Circle, color = Red
180 d = (y - TOT("Cl")*1000)^2 180 d = (y - TOT("Cl")*1000)^2
@ -412,22 +412,22 @@ Using exchange 40. Exchanger defined in simulation 3.
-----------------------------Exchange composition------------------------------ -----------------------------Exchange composition------------------------------
X 1.100e-003 mol X 1.100e-03 mol
Equiv- Equivalent Log Equiv- Equivalent Log
Species Moles alents Fraction Gamma Species Moles alents Fraction Gamma
KX 5.507e-004 5.507e-004 5.006e-001 -0.017 KX 5.507e-04 5.507e-04 5.006e-01 -0.017
NaX 5.493e-004 5.493e-004 4.994e-001 -0.017 NaX 5.493e-04 5.493e-04 4.994e-01 -0.017
NH4X 3.038e-063 3.038e-063 2.761e-060 -0.017 NH4X 3.038e-63 3.038e-63 2.761e-60 -0.017
-----------------------------Solution composition------------------------------ -----------------------------Solution composition------------------------------
Elements Molality Moles Elements Molality Moles
K 2.000e-004 2.000e-004 K 2.000e-04 2.000e-04
N 1.200e-003 1.200e-003 N 1.200e-03 1.200e-03
Na 1.000e-003 1.000e-003 Na 1.000e-03 1.000e-03
----------------------------Description of solution---------------------------- ----------------------------Description of solution----------------------------
@ -436,45 +436,45 @@ X 1.100e-003 mol
Specific Conductance (uS/cm, 25 oC) = 146 Specific Conductance (uS/cm, 25 oC) = 146
Density (g/cm3) = 0.99706 Density (g/cm3) = 0.99706
Activity of water = 1.000 Activity of water = 1.000
Ionic strength = 1.200e-003 Ionic strength = 1.200e-03
Mass of water (kg) = 1.000e+000 Mass of water (kg) = 1.000e+00
Total alkalinity (eq/kg) = -7.547e-019 Total alkalinity (eq/kg) = -8.465e-19
Total carbon (mol/kg) = 0.000e+000 Total carbon (mol/kg) = 0.000e+00
Total CO2 (mol/kg) = 0.000e+000 Total CO2 (mol/kg) = 0.000e+00
Temperature (deg C) = 25.00 Temperature (deg C) = 25.00
Electrical balance (eq) = -8.301e-017 Electrical balance (eq) = -8.404e-17
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00
Iterations = 1 Iterations = 1
Total H = 1.110124e+002 Total H = 1.110124e+02
Total O = 5.551035e+001 Total O = 5.551035e+01
----------------------------Distribution of species---------------------------- ----------------------------Distribution of species----------------------------
Log Log Log Log Log Log
Species Molality Activity Molality Activity Gamma Species Molality Activity Molality Activity Gamma
H+ 1.040e-007 1.002e-007 -6.983 -6.999 -0.016 H+ 1.040e-07 1.002e-07 -6.983 -6.999 -0.016
OH- 1.039e-007 9.991e-008 -6.983 -7.000 -0.017 OH- 1.039e-07 9.991e-08 -6.983 -7.000 -0.017
H2O 5.551e+001 1.000e+000 1.744 -0.000 0.000 H2O 5.551e+01 1.000e+00 1.744 -0.000 0.000
H(0) 0.000e+000 H(0) 0.000e+00
H2 0.000e+000 0.000e+000 -44.404 -44.404 0.000 H2 0.000e+00 0.000e+00 -44.404 -44.404 0.000
K 2.000e-004 K 2.000e-04
K+ 2.000e-004 1.923e-004 -3.699 -3.716 -0.017 K+ 2.000e-04 1.923e-04 -3.699 -3.716 -0.017
KOH 6.654e-012 6.656e-012 -11.177 -11.177 0.000 KOH 6.654e-12 6.656e-12 -11.177 -11.177 0.000
N(-3) 0.000e+000 N(-3) 0.000e+00
NH4+ 0.000e+000 0.000e+000 -62.857 -62.874 -0.017 NH4+ 0.000e+00 0.000e+00 -62.857 -62.874 -0.017
NH3 0.000e+000 0.000e+000 -65.120 -65.120 0.000 NH3 0.000e+00 0.000e+00 -65.120 -65.120 0.000
N(0) 1.729e-019 N(0) 1.729e-19
N2 8.645e-020 8.647e-020 -19.063 -19.063 0.000 N2 8.645e-20 8.647e-20 -19.063 -19.063 0.000
N(3) 2.485e-016 N(3) 2.485e-16
NO2- 2.485e-016 2.389e-016 -15.605 -15.622 -0.017 NO2- 2.485e-16 2.389e-16 -15.605 -15.622 -0.017
N(5) 1.200e-003 N(5) 1.200e-03
NO3- 1.200e-003 1.154e-003 -2.921 -2.938 -0.017 NO3- 1.200e-03 1.154e-03 -2.921 -2.938 -0.017
Na 1.000e-003 Na 1.000e-03
Na+ 1.000e-003 9.621e-004 -3.000 -3.017 -0.017 Na+ 1.000e-03 9.621e-04 -3.000 -3.017 -0.017
NaOH 6.342e-011 6.344e-011 -10.198 -10.198 0.000 NaOH 6.342e-11 6.344e-11 -10.198 -10.198 0.000
O(0) 5.352e-004 O(0) 5.352e-04
O2 2.676e-004 2.677e-004 -3.572 -3.572 0.000 O2 2.676e-04 2.677e-04 -3.572 -3.572 0.000
------------------------------Saturation indices------------------------------- ------------------------------Saturation indices-------------------------------
@ -1287,7 +1287,6 @@ Transport step 80. Mixrun 3.
Transport step 80. Mixrun 4. Transport step 80. Mixrun 4.
SSQD for Cl after 2 Pore Volumes: 7.985703285180e-005 (mmol/L)^2
Transport step 81. Transport step 81.
Transport step 81. Mixrun 1. Transport step 81. Mixrun 1.

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@ -1,101 +1,101 @@
step Na Cl K Ca Pore_vol step Na Cl K Ca Pore_vol
1 1.0000e-003 0.0000e+000 2.0000e-004 0.0000e+000 3.7500e-002 1 1.0000e-03 0.0000e+00 2.0000e-04 0.0000e+00 3.7500e-02
2 1.0000e-003 0.0000e+000 2.0000e-004 0.0000e+000 6.2500e-002 2 1.0000e-03 0.0000e+00 2.0000e-04 0.0000e+00 6.2500e-02
3 1.0000e-003 0.0000e+000 2.0000e-004 0.0000e+000 8.7500e-002 3 1.0000e-03 0.0000e+00 2.0000e-04 0.0000e+00 8.7500e-02
4 1.0000e-003 0.0000e+000 2.0000e-004 0.0000e+000 1.1250e-001 4 1.0000e-03 0.0000e+00 2.0000e-04 0.0000e+00 1.1250e-01
5 1.0000e-003 0.0000e+000 2.0000e-004 0.0000e+000 1.3750e-001 5 1.0000e-03 0.0000e+00 2.0000e-04 0.0000e+00 1.3750e-01
6 1.0000e-003 0.0000e+000 2.0000e-004 0.0000e+000 1.6250e-001 6 1.0000e-03 0.0000e+00 2.0000e-04 0.0000e+00 1.6250e-01
7 1.0000e-003 0.0000e+000 2.0000e-004 0.0000e+000 1.8750e-001 7 1.0000e-03 0.0000e+00 2.0000e-04 0.0000e+00 1.8750e-01
8 1.0000e-003 0.0000e+000 2.0000e-004 0.0000e+000 2.1250e-001 8 1.0000e-03 0.0000e+00 2.0000e-04 0.0000e+00 2.1250e-01
9 1.0000e-003 0.0000e+000 2.0000e-004 0.0000e+000 2.3750e-001 9 1.0000e-03 0.0000e+00 2.0000e-04 0.0000e+00 2.3750e-01
10 1.0000e-003 0.0000e+000 2.0000e-004 0.0000e+000 2.6250e-001 10 1.0000e-03 0.0000e+00 2.0000e-04 0.0000e+00 2.6250e-01
11 1.0000e-003 0.0000e+000 2.0000e-004 0.0000e+000 2.8750e-001 11 1.0000e-03 0.0000e+00 2.0000e-04 0.0000e+00 2.8750e-01
12 1.0000e-003 0.0000e+000 2.0000e-004 0.0000e+000 3.1250e-001 12 1.0000e-03 0.0000e+00 2.0000e-04 0.0000e+00 3.1250e-01
13 1.0000e-003 0.0000e+000 2.0000e-004 0.0000e+000 3.3750e-001 13 1.0000e-03 0.0000e+00 2.0000e-04 0.0000e+00 3.3750e-01
14 1.0000e-003 0.0000e+000 2.0000e-004 0.0000e+000 3.6250e-001 14 1.0000e-03 0.0000e+00 2.0000e-04 0.0000e+00 3.6250e-01
15 1.0000e-003 0.0000e+000 2.0000e-004 0.0000e+000 3.8750e-001 15 1.0000e-03 0.0000e+00 2.0000e-04 0.0000e+00 3.8750e-01
16 1.0000e-003 0.0000e+000 2.0000e-004 0.0000e+000 4.1250e-001 16 1.0000e-03 0.0000e+00 2.0000e-04 0.0000e+00 4.1250e-01
17 1.0000e-003 0.0000e+000 2.0000e-004 0.0000e+000 4.3750e-001 17 1.0000e-03 0.0000e+00 2.0000e-04 0.0000e+00 4.3750e-01
18 1.0000e-003 0.0000e+000 2.0000e-004 0.0000e+000 4.6250e-001 18 1.0000e-03 0.0000e+00 2.0000e-04 0.0000e+00 4.6250e-01
19 1.0000e-003 0.0000e+000 2.0000e-004 0.0000e+000 4.8750e-001 19 1.0000e-03 0.0000e+00 2.0000e-04 0.0000e+00 4.8750e-01
20 1.0000e-003 0.0000e+000 2.0000e-004 0.0000e+000 5.1250e-001 20 1.0000e-03 0.0000e+00 2.0000e-04 0.0000e+00 5.1250e-01
21 1.0000e-003 0.0000e+000 2.0000e-004 0.0000e+000 5.3750e-001 21 1.0000e-03 0.0000e+00 2.0000e-04 0.0000e+00 5.3750e-01
22 1.0000e-003 0.0000e+000 2.0000e-004 0.0000e+000 5.6250e-001 22 1.0000e-03 0.0000e+00 2.0000e-04 0.0000e+00 5.6250e-01
23 1.0000e-003 0.0000e+000 2.0000e-004 0.0000e+000 5.8750e-001 23 1.0000e-03 0.0000e+00 2.0000e-04 0.0000e+00 5.8750e-01
24 1.0000e-003 0.0000e+000 2.0000e-004 0.0000e+000 6.1250e-001 24 1.0000e-03 0.0000e+00 2.0000e-04 0.0000e+00 6.1250e-01
25 1.0000e-003 0.0000e+000 2.0000e-004 0.0000e+000 6.3750e-001 25 1.0000e-03 0.0000e+00 2.0000e-04 0.0000e+00 6.3750e-01
26 1.0000e-003 0.0000e+000 2.0000e-004 0.0000e+000 6.6250e-001 26 1.0000e-03 0.0000e+00 2.0000e-04 0.0000e+00 6.6250e-01
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76 8.0510e-013 1.2000e-003 7.0494e-004 2.4753e-004 1.9125e+000 76 8.0510e-13 1.2000e-03 7.0494e-04 2.4753e-04 1.9125e+00
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78 4.1771e-016 1.2000e-003 9.1269e-006 5.9544e-004 1.9625e+000 78 4.1771e-16 1.2000e-03 9.1269e-06 5.9544e-04 1.9625e+00
79 7.6748e-018 1.2000e-003 8.3782e-007 5.9958e-004 1.9875e+000 79 7.6748e-18 1.2000e-03 8.3782e-07 5.9958e-04 1.9875e+00
80 1.4057e-019 1.2000e-003 7.6671e-008 5.9996e-004 2.0125e+000 80 1.4057e-19 1.2000e-03 7.6671e-08 5.9996e-04 2.0125e+00
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@ -1,102 +1,102 @@
step Na Cl K Ca Pore_vol step Na Cl K Ca Pore_vol
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73 6.668224772913e-005 1.197519877322e-003 1.024937217503e-003 5.419026737413e-005 1.837500000000e+000 73 6.668224772913e-05 1.197519877322e-03 1.024937217503e-03 5.419026737416e-05 1.837500000000e+00
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81 8.894853586721e-006 1.199520488471e-003 1.125953623369e-004 5.392548920374e-004 2.037500000000e+000 81 8.894853586721e-06 1.199520488471e-03 1.125953623369e-04 5.392548920374e-04 2.037500000000e+00
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89 1.346732993952e-006 1.199913211686e-003 1.756522015977e-005 5.905440234230e-004 2.237500000000e+000 89 1.346732993952e-06 1.199913211686e-03 1.756522015977e-05 5.905440234230e-04 2.237500000000e+00
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91 8.435890067651e-007 1.199943859609e-003 1.119149949798e-005 5.939824557476e-004 2.287500000000e+000 91 8.435890067651e-07 1.199943859609e-03 1.119149949798e-05 5.939824557476e-04 2.287500000000e+00
92 6.678658674970e-007 1.199954896813e-003 8.944331558137e-006 5.951939012871e-004 2.312500000000e+000 92 6.678658674970e-07 1.199954896813e-03 8.944331558136e-06 5.951939012871e-04 2.312500000000e+00
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97 2.081138742758e-007 1.199985054462e-003 2.944235273407e-006 5.984238254261e-004 2.437500000000e+000 97 2.081138742758e-07 1.199985054462e-03 2.944235273407e-06 5.984238254261e-04 2.437500000000e+00
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100 1.034670313119e-007 1.199992352295e-003 1.520225705677e-006 5.991881536315e-004 2.512500000000e+000 100 1.034670313119e-07 1.199992352295e-03 1.520225705677e-06 5.991881536315e-04 2.512500000000e+00

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@ -1,124 +1,124 @@
dist_x temp Na_mmol K_mmol Cl_mmol dist_x temp Na_mmol K_mmol Cl_mmol
-99 2.400000000000e+001 2.400000000000e+001 0.000000000000e+000 2.400000000000e+001 -99 2.400000000000e+01 2.400000000000e+01 0.000000000000e+00 2.400000000000e+01
-99 2.400000000000e+001 2.400000000000e+001 0.000000000000e+000 2.400000000000e+001 -99 2.400000000000e+01 2.400000000000e+01 0.000000000000e+00 2.400000000000e+01
-99 2.400000000000e+001 2.400000000000e+001 0.000000000000e+000 2.400000000000e+001 -99 2.400000000000e+01 2.400000000000e+01 0.000000000000e+00 2.400000000000e+01
0.166667 0.000000000000e+000 0.000000000000e+000 2.400000000000e+001 0.000000000000e+000 0.166666 0.000000000000e+00 0.000000000000e+00 2.400000000000e+01 0.000000000000e+00
0.499999 0.000000000000e+000 0.000000000000e+000 2.400000000000e+001 0.000000000000e+000 0.499999 0.000000000000e+00 0.000000000000e+00 2.400000000000e+01 0.000000000000e+00
0.833333 0.000000000000e+000 0.000000000000e+000 2.400000000000e+001 0.000000000000e+000 0.833333 0.000000000000e+00 0.000000000000e+00 2.400000000000e+01 0.000000000000e+00
1.16667 0.000000000000e+000 0.000000000000e+000 2.400000000000e+001 0.000000000000e+000 1.16667 0.000000000000e+00 0.000000000000e+00 2.400000000000e+01 0.000000000000e+00
1.5 0.000000000000e+000 0.000000000000e+000 2.400000000000e+001 0.000000000000e+000 1.5 0.000000000000e+00 0.000000000000e+00 2.400000000000e+01 0.000000000000e+00
1.83333 0.000000000000e+000 0.000000000000e+000 2.400000000000e+001 0.000000000000e+000 1.83333 0.000000000000e+00 0.000000000000e+00 2.400000000000e+01 0.000000000000e+00
2.16666 0.000000000000e+000 0.000000000000e+000 2.400000000000e+001 0.000000000000e+000 2.16666 0.000000000000e+00 0.000000000000e+00 2.400000000000e+01 0.000000000000e+00
2.5 0.000000000000e+000 0.000000000000e+000 2.400000000000e+001 0.000000000000e+000 2.5 0.000000000000e+00 0.000000000000e+00 2.400000000000e+01 0.000000000000e+00
2.83333 0.000000000000e+000 0.000000000000e+000 2.400000000000e+001 0.000000000000e+000 2.83333 0.000000000000e+00 0.000000000000e+00 2.400000000000e+01 0.000000000000e+00
3.16666 0.000000000000e+000 0.000000000000e+000 2.400000000000e+001 0.000000000000e+000 3.16666 0.000000000000e+00 0.000000000000e+00 2.400000000000e+01 0.000000000000e+00
3.5 0.000000000000e+000 0.000000000000e+000 2.400000000000e+001 0.000000000000e+000 3.5 0.000000000000e+00 0.000000000000e+00 2.400000000000e+01 0.000000000000e+00
3.83333 0.000000000000e+000 0.000000000000e+000 2.400000000000e+001 0.000000000000e+000 3.83333 0.000000000000e+00 0.000000000000e+00 2.400000000000e+01 0.000000000000e+00
4.16666 0.000000000000e+000 0.000000000000e+000 2.400000000000e+001 0.000000000000e+000 4.16666 0.000000000000e+00 0.000000000000e+00 2.400000000000e+01 0.000000000000e+00
4.5 0.000000000000e+000 0.000000000000e+000 2.400000000000e+001 0.000000000000e+000 4.5 0.000000000000e+00 0.000000000000e+00 2.400000000000e+01 0.000000000000e+00
4.83333 0.000000000000e+000 0.000000000000e+000 2.400000000000e+001 0.000000000000e+000 4.83333 0.000000000000e+00 0.000000000000e+00 2.400000000000e+01 0.000000000000e+00
5.16666 0.000000000000e+000 0.000000000000e+000 2.400000000000e+001 0.000000000000e+000 5.16666 0.000000000000e+00 0.000000000000e+00 2.400000000000e+01 0.000000000000e+00
5.49999 0.000000000000e+000 0.000000000000e+000 2.400000000000e+001 0.000000000000e+000 5.49999 0.000000000000e+00 0.000000000000e+00 2.400000000000e+01 0.000000000000e+00
5.83333 0.000000000000e+000 0.000000000000e+000 2.400000000000e+001 0.000000000000e+000 5.83333 0.000000000000e+00 0.000000000000e+00 2.400000000000e+01 0.000000000000e+00
6.16666 0.000000000000e+000 0.000000000000e+000 2.400000000000e+001 0.000000000000e+000 6.16666 0.000000000000e+00 0.000000000000e+00 2.400000000000e+01 0.000000000000e+00
6.49999 0.000000000000e+000 0.000000000000e+000 2.400000000000e+001 0.000000000000e+000 6.49999 0.000000000000e+00 0.000000000000e+00 2.400000000000e+01 0.000000000000e+00
6.83333 0.000000000000e+000 0.000000000000e+000 2.400000000000e+001 0.000000000000e+000 6.83333 0.000000000000e+00 0.000000000000e+00 2.400000000000e+01 0.000000000000e+00
7.16666 0.000000000000e+000 0.000000000000e+000 2.400000000000e+001 0.000000000000e+000 7.16666 0.000000000000e+00 0.000000000000e+00 2.400000000000e+01 0.000000000000e+00
7.49999 0.000000000000e+000 0.000000000000e+000 2.400000000000e+001 0.000000000000e+000 7.49999 0.000000000000e+00 0.000000000000e+00 2.400000000000e+01 0.000000000000e+00
7.83333 0.000000000000e+000 0.000000000000e+000 2.400000000000e+001 0.000000000000e+000 7.83333 0.000000000000e+00 0.000000000000e+00 2.400000000000e+01 0.000000000000e+00
8.16666 0.000000000000e+000 0.000000000000e+000 2.400000000000e+001 0.000000000000e+000 8.16666 0.000000000000e+00 0.000000000000e+00 2.400000000000e+01 0.000000000000e+00
8.49999 0.000000000000e+000 0.000000000000e+000 2.400000000000e+001 0.000000000000e+000 8.49999 0.000000000000e+00 0.000000000000e+00 2.400000000000e+01 0.000000000000e+00
8.83332 0.000000000000e+000 0.000000000000e+000 2.400000000000e+001 0.000000000000e+000 8.83332 0.000000000000e+00 0.000000000000e+00 2.400000000000e+01 0.000000000000e+00
9.16666 0.000000000000e+000 0.000000000000e+000 2.400000000000e+001 0.000000000000e+000 9.16666 0.000000000000e+00 0.000000000000e+00 2.400000000000e+01 0.000000000000e+00
9.49999 0.000000000000e+000 0.000000000000e+000 2.400000000000e+001 0.000000000000e+000 9.49999 0.000000000000e+00 0.000000000000e+00 2.400000000000e+01 0.000000000000e+00
9.83332 0.000000000000e+000 0.000000000000e+000 2.400000000000e+001 0.000000000000e+000 9.83332 0.000000000000e+00 0.000000000000e+00 2.400000000000e+01 0.000000000000e+00
10.1667 0.000000000000e+000 0.000000000000e+000 2.400000000000e+001 0.000000000000e+000 10.1667 0.000000000000e+00 0.000000000000e+00 2.400000000000e+01 0.000000000000e+00
10.5 0.000000000000e+000 0.000000000000e+000 2.400000000000e+001 0.000000000000e+000 10.5 0.000000000000e+00 0.000000000000e+00 2.400000000000e+01 0.000000000000e+00
10.8333 0.000000000000e+000 0.000000000000e+000 2.400000000000e+001 0.000000000000e+000 10.8333 0.000000000000e+00 0.000000000000e+00 2.400000000000e+01 0.000000000000e+00
11.1667 0.000000000000e+000 0.000000000000e+000 2.400000000000e+001 0.000000000000e+000 11.1667 0.000000000000e+00 0.000000000000e+00 2.400000000000e+01 0.000000000000e+00
11.5 0.000000000000e+000 0.000000000000e+000 2.400000000000e+001 0.000000000000e+000 11.5 0.000000000000e+00 0.000000000000e+00 2.400000000000e+01 0.000000000000e+00
11.8333 0.000000000000e+000 0.000000000000e+000 2.400000000000e+001 0.000000000000e+000 11.8333 0.000000000000e+00 0.000000000000e+00 2.400000000000e+01 0.000000000000e+00
12.1667 0.000000000000e+000 0.000000000000e+000 2.400000000000e+001 0.000000000000e+000 12.1667 0.000000000000e+00 0.000000000000e+00 2.400000000000e+01 0.000000000000e+00
12.5 0.000000000000e+000 0.000000000000e+000 2.400000000000e+001 0.000000000000e+000 12.5 0.000000000000e+00 0.000000000000e+00 2.400000000000e+01 0.000000000000e+00
12.8333 0.000000000000e+000 0.000000000000e+000 2.400000000000e+001 0.000000000000e+000 12.8333 0.000000000000e+00 0.000000000000e+00 2.400000000000e+01 0.000000000000e+00
13.1667 0.000000000000e+000 0.000000000000e+000 2.400000000000e+001 0.000000000000e+000 13.1667 0.000000000000e+00 0.000000000000e+00 2.400000000000e+01 0.000000000000e+00
13.5 0.000000000000e+000 0.000000000000e+000 2.400000000000e+001 0.000000000000e+000 13.5 0.000000000000e+00 0.000000000000e+00 2.400000000000e+01 0.000000000000e+00
13.8333 0.000000000000e+000 0.000000000000e+000 2.400000000000e+001 0.000000000000e+000 13.8333 0.000000000000e+00 0.000000000000e+00 2.400000000000e+01 0.000000000000e+00
14.1667 0.000000000000e+000 0.000000000000e+000 2.400000000000e+001 0.000000000000e+000 14.1667 0.000000000000e+00 0.000000000000e+00 2.400000000000e+01 0.000000000000e+00
14.5 0.000000000000e+000 0.000000000000e+000 2.400000000000e+001 0.000000000000e+000 14.5 0.000000000000e+00 0.000000000000e+00 2.400000000000e+01 0.000000000000e+00
14.8333 0.000000000000e+000 0.000000000000e+000 2.400000000000e+001 0.000000000000e+000 14.8333 0.000000000000e+00 0.000000000000e+00 2.400000000000e+01 0.000000000000e+00
15.1667 0.000000000000e+000 0.000000000000e+000 2.400000000000e+001 0.000000000000e+000 15.1667 0.000000000000e+00 0.000000000000e+00 2.400000000000e+01 0.000000000000e+00
15.5 0.000000000000e+000 0.000000000000e+000 2.400000000000e+001 0.000000000000e+000 15.5 0.000000000000e+00 0.000000000000e+00 2.400000000000e+01 0.000000000000e+00
15.8333 0.000000000000e+000 0.000000000000e+000 2.400000000000e+001 0.000000000000e+000 15.8333 0.000000000000e+00 0.000000000000e+00 2.400000000000e+01 0.000000000000e+00
16.1667 0.000000000000e+000 0.000000000000e+000 2.400000000000e+001 0.000000000000e+000 16.1667 0.000000000000e+00 0.000000000000e+00 2.400000000000e+01 0.000000000000e+00
16.5 0.000000000000e+000 0.000000000000e+000 2.400000000000e+001 0.000000000000e+000 16.5 0.000000000000e+00 0.000000000000e+00 2.400000000000e+01 0.000000000000e+00
16.8333 0.000000000000e+000 0.000000000000e+000 2.400000000000e+001 0.000000000000e+000 16.8333 0.000000000000e+00 0.000000000000e+00 2.400000000000e+01 0.000000000000e+00
17.1666 0.000000000000e+000 0.000000000000e+000 2.400000000000e+001 0.000000000000e+000 17.1666 0.000000000000e+00 0.000000000000e+00 2.400000000000e+01 0.000000000000e+00
17.5 0.000000000000e+000 0.000000000000e+000 2.400000000000e+001 0.000000000000e+000 17.5 0.000000000000e+00 0.000000000000e+00 2.400000000000e+01 0.000000000000e+00
17.8333 0.000000000000e+000 0.000000000000e+000 2.400000000000e+001 0.000000000000e+000 17.8333 0.000000000000e+00 0.000000000000e+00 2.400000000000e+01 0.000000000000e+00
18.1666 0.000000000000e+000 0.000000000000e+000 2.400000000000e+001 0.000000000000e+000 18.1666 0.000000000000e+00 0.000000000000e+00 2.400000000000e+01 0.000000000000e+00
18.5 0.000000000000e+000 0.000000000000e+000 2.400000000000e+001 0.000000000000e+000 18.5 0.000000000000e+00 0.000000000000e+00 2.400000000000e+01 0.000000000000e+00
18.8333 0.000000000000e+000 0.000000000000e+000 2.400000000000e+001 0.000000000000e+000 18.8333 0.000000000000e+00 0.000000000000e+00 2.400000000000e+01 0.000000000000e+00
19.1666 2.400000000000e+001 2.400000000000e+001 0.000000000000e+000 2.400000000000e+001 19.1666 2.400000000000e+01 2.400000000000e+01 0.000000000000e+00 2.400000000000e+01
19.5 2.400000000000e+001 2.400000000000e+001 0.000000000000e+000 2.400000000000e+001 19.5 2.400000000000e+01 2.400000000000e+01 0.000000000000e+00 2.400000000000e+01
19.8333 2.400000000000e+001 2.400000000000e+001 0.000000000000e+000 2.400000000000e+001 19.8333 2.400000000000e+01 2.400000000000e+01 0.000000000000e+00 2.400000000000e+01
0.166667 2.173421535788e+001 2.173421536215e+001 2.265784634987e+000 2.269804797038e+001 0.166666 2.173421535788e+01 2.173421536215e+01 2.265784634987e+00 2.269804797038e+01
0.499999 1.732877881413e+001 1.732877883101e+001 6.671221161461e+000 2.011807085425e+001 0.499999 1.732877881413e+01 1.732877883101e+01 6.671221161461e+00 2.011807085425e+01
0.833333 1.328084086748e+001 1.328084090220e+001 1.071915908712e+001 1.760856603219e+001 0.833333 1.328084086748e+01 1.328084090220e+01 1.071915908712e+01 1.760856603219e+01
1.16667 9.764795286473e+000 9.764795340311e+000 1.423520464732e+001 1.521227157420e+001 1.16667 9.764795286473e+00 9.764795340311e+00 1.423520464732e+01 1.521227157420e+01
1.5 6.876991640216e+000 6.876991708398e+000 1.712300827879e+001 1.296595961062e+001 1.5 6.876991640216e+00 6.876991708398e+00 1.712300827879e+01 1.296595961062e+01
1.83333 4.633455928133e+000 4.633456001521e+000 1.936654398618e+001 1.089879733971e+001 1.83333 4.633455928133e+00 4.633456001521e+00 1.936654398618e+01 1.089879733971e+01
2.16666 2.983966658034e+000 2.983966727069e+000 2.101603326175e+001 9.031344427837e+000 2.16666 2.983966658034e+00 2.983966727068e+00 2.101603326175e+01 9.031344427837e+00
2.5 1.835677067050e+000 1.835677125017e+000 2.216432286524e+001 7.375229710947e+000 2.5 1.835677067050e+00 1.835677125017e+00 2.216432286525e+01 7.375229710947e+00
2.83333 1.078314727713e+000 1.078314771866e+000 2.292168521994e+001 5.933476222868e+000 2.83333 1.078314727713e+00 1.078314771866e+00 2.292168521994e+01 5.933476222868e+00
3.16666 6.047305557783e-001 6.047305866560e-001 2.339526940664e+001 4.701379781834e+000 3.16666 6.047305557783e-01 6.047305866559e-01 2.339526940664e+01 4.701379781834e+00
3.5 3.237709470080e-001 3.237709670136e-001 2.367622902763e+001 3.667800399962e+000 3.5 3.237709470080e-01 3.237709670136e-01 2.367622902763e+01 3.667800399962e+00
3.83333 1.655104664086e-001 1.655104784988e-001 2.383448951733e+001 2.816701882849e+000 3.83333 1.655104664086e-01 1.655104784987e-01 2.383448951733e+01 2.816701882849e+00
4.16666 8.080257204240e-002 8.080257889296e-002 2.391919741792e+001 2.128773573948e+000 4.16666 8.080257204240e-02 8.080257889295e-02 2.391919741792e+01 2.128773573948e+00
4.5 3.768568646672e-002 3.768569012054e-002 2.396231430751e+001 1.582986272156e+000 4.5 3.768568646672e-02 3.768569012054e-02 2.396231430751e+01 1.582986272156e+00
4.83333 1.679767756894e-002 1.679767940908e-002 2.398320231887e+001 1.157966472264e+000 4.83333 1.679767756894e-02 1.679767940908e-02 2.398320231887e+01 1.157966472264e+00
5.16666 7.158752063679e-003 7.158752941003e-003 2.399284124583e+001 8.331126368309e-001 5.16666 7.158752063679e-03 7.158752941001e-03 2.399284124583e+01 8.331126368309e-01
5.49999 2.918449214332e-003 2.918449611132e-003 2.399708154953e+001 5.894176946331e-001 5.49999 2.918449214332e-03 2.918449611131e-03 2.399708154953e+01 5.894176946331e-01
5.83333 1.138722696040e-003 1.138722866585e-003 2.399886127655e+001 4.099979928619e-001 5.83333 1.138722696040e-03 1.138722866584e-03 2.399886127655e+01 4.099979928619e-01
6.16666 4.254688736287e-004 4.254689433885e-004 2.399957453067e+001 2.803568840121e-001 6.16666 4.254688736287e-04 4.254689433884e-04 2.399957453067e+01 2.803568840121e-01
6.49999 1.523139982618e-004 1.523140254535e-004 2.399984768573e+001 1.884293356562e-001 6.49999 1.523139982618e-04 1.523140254534e-04 2.399984768573e+01 1.884293356562e-01
6.83333 5.227267557720e-005 5.227268568918e-005 2.399994772716e+001 1.244625136570e-001 6.83333 5.227267557720e-05 5.227268568915e-05 2.399994772716e+01 1.244625136570e-01
7.16666 1.720732480116e-005 1.720732839255e-005 2.399998279259e+001 8.078763518360e-002 7.16666 1.720732480116e-05 1.720732839254e-05 2.399998279259e+01 8.078763518360e-02
7.49999 5.436192373459e-006 5.436193592827e-006 2.399999456377e+001 5.153271367650e-002 7.49999 5.436192373459e-06 5.436193592823e-06 2.399999456377e+01 5.153271367650e-02
7.83333 1.649130959657e-006 1.649131355792e-006 2.399999835086e+001 3.231654723609e-002 7.83333 1.649130959657e-06 1.649131355791e-06 2.399999835086e+01 3.231654723609e-02
8.16666 4.806491381349e-007 4.806492613754e-007 2.399999951936e+001 1.995365519783e-002 8.16666 4.806491381349e-07 4.806492613749e-07 2.399999951936e+01 1.995365519783e-02
8.49999 1.346725366297e-007 1.346725733799e-007 2.399999986535e+001 1.218958904149e-002 8.49999 1.346725366297e-07 1.346725733798e-07 2.399999986535e+01 1.218958904149e-02
8.83332 3.634765898121e-008 3.634766951239e-008 2.399999996368e+001 7.477287155035e-003 8.83332 3.634765898121e-08 3.634766951235e-08 2.399999996368e+01 7.477287155035e-03
9.16666 9.688623034758e-009 9.688626015705e-009 2.399999999035e+001 4.798487469940e-003 9.16666 9.688623034758e-09 9.688626015692e-09 2.399999999035e+01 4.798487469940e-03
9.49999 3.521368975345e-009 3.521370119087e-009 2.399999999651e+001 3.529761276507e-003 9.49999 3.521368975345e-09 3.521370119081e-09 2.399999999651e+01 3.529761276507e-03
9.83332 5.266906600210e-009 5.266908249078e-009 2.399999999477e+001 3.350250040820e-003 9.83332 5.266906600210e-09 5.266908249070e-09 2.399999999477e+01 3.350250040820e-03
10.1667 1.826871464229e-008 1.826871999928e-008 2.399999998177e+001 4.187235208032e-003 10.1667 1.826871464229e-08 1.826871999925e-08 2.399999998177e+01 4.187235208032e-03
10.5 6.734356349056e-008 6.734358208535e-008 2.399999993269e+001 6.195716013759e-003 10.5 6.734356349056e-08 6.734358208526e-08 2.399999993269e+01 6.195716013759e-03
10.8333 2.402639314420e-007 2.402639938261e-007 2.399999975976e+001 9.768664012937e-003 10.8333 2.402639314420e-07 2.402639938257e-07 2.399999975976e+01 9.768664012937e-03
11.1667 8.242843018529e-007 8.242845025552e-007 2.399999917573e+001 1.557505013537e-002 11.1667 8.242843018529e-07 8.242845025543e-07 2.399999917573e+01 1.557505013537e-02
11.5 2.716922549622e-006 2.716923168042e-006 2.399999728308e+001 2.462264894639e-002 11.5 2.716922549622e-06 2.716923168039e-06 2.399999728308e+01 2.462264894639e-02
11.8333 8.598959192629e-006 8.598961016095e-006 2.399999140102e+001 3.834165440477e-002 11.8333 8.598959192629e-06 8.598961016087e-06 2.399999140102e+01 3.834165440477e-02
12.1667 2.611819663843e-005 2.611820177908e-005 2.399997388175e+001 5.868305693655e-002 12.1667 2.611819663843e-05 2.611820177906e-05 2.399997388175e+01 5.868305693655e-02
12.5 7.608967015818e-005 7.608968400155e-005 2.399992391022e+001 8.822247450113e-002 12.5 7.608967015818e-05 7.608968400149e-05 2.399992391022e+01 8.822247450113e-02
12.8333 2.124941138159e-004 2.124941493905e-004 2.399978750569e+001 1.302558794731e-001 12.8333 2.124941138159e-04 2.124941493904e-04 2.399978750569e+01 1.302558794731e-01
13.1667 5.685367828663e-004 5.685368700124e-004 2.399943146288e+001 1.888688939341e-001 13.1667 5.685367828663e-04 5.685368700121e-04 2.399943146288e+01 1.888688939341e-01
13.5 1.456506511045e-003 1.456506714311e-003 2.399854349291e+001 2.689568433455e-001 13.5 1.456506511045e-03 1.456506714310e-03 2.399854349291e+01 2.689568433455e-01
13.8333 3.570772369452e-003 3.570772820314e-003 2.399642922664e+001 3.761696764507e-001 13.8333 3.570772369452e-03 3.570772820312e-03 2.399642922664e+01 3.761696764507e-01
14.1667 8.372702446682e-003 8.372703396368e-003 2.399162729585e+001 5.167554989999e-001 14.1667 8.372702446682e-03 8.372703396364e-03 2.399162729585e+01 5.167554989999e-01
14.5 1.876668623423e-002 1.876668813093e-002 2.398123331084e+001 6.972801618707e-001 14.5 1.876668623423e-02 1.876668813092e-02 2.398123331084e+01 6.972801618707e-01
14.8333 4.018855158439e-002 4.018855516968e-002 2.395981144346e+001 9.242091443397e-001 14.8333 4.018855158439e-02 4.018855516967e-02 2.395981144346e+01 9.242091443397e-01
15.1667 8.218587185627e-002 8.218587825846e-002 2.391781411995e+001 1.203352315084e+000 15.1667 8.218587185627e-02 8.218587825844e-02 2.391781411995e+01 1.203352315084e+00
15.5 1.604262488969e-001 1.604262596736e-001 2.383957373807e+001 1.539191520810e+000 15.5 1.604262488969e-01 1.604262596736e-01 2.383957373807e+01 1.539191520810e+00
15.8333 2.987859018573e-001 2.987859189194e-001 2.370121407830e+001 1.934133647615e+000 15.8333 2.987859018573e-01 2.987859189194e-01 2.370121407830e+01 1.934133647615e+00
16.1667 5.307585250720e-001 5.307585504220e-001 2.346924144625e+001 2.387754908522e+000 16.1667 5.307585250720e-01 5.307585504219e-01 2.346924144625e+01 2.387754908522e+00
16.5 8.989956902916e-001 8.989957255682e-001 2.310100427056e+001 2.896121734271e+000 16.5 8.989956902916e-01 8.989957255681e-01 2.310100427056e+01 2.896121734271e+00
16.8333 1.451582042996e+000 1.451582088933e+000 2.254841790671e+001 3.451285434110e+000 16.8333 1.451582042996e+00 1.451582088933e+00 2.254841790671e+01 3.451285434110e+00
17.1666 2.233972730862e+000 2.233972786914e+000 2.176602720837e+001 4.041047732573e+000 17.1666 2.233972730862e+00 2.233972786913e+00 2.176602720837e+01 4.041047732573e+00
17.5 3.276610346604e+000 3.276610411034e+000 2.072338958408e+001 4.649079608393e+000 17.5 3.276610346604e+00 3.276610411034e+00 2.072338958408e+01 4.649079608393e+00
17.8333 4.580032365347e+000 4.580032435936e+000 1.941996755929e+001 5.255445898777e+000 17.8333 4.580032365347e+00 4.580032435936e+00 1.941996755929e+01 5.255445898777e+00
18.1666 6.101263069883e+000 6.101263144995e+000 1.789873685066e+001 5.837544906652e+000 18.1666 6.101263069883e+00 6.101263144995e+00 1.789873685066e+01 5.837544906652e+00
18.5 7.746550873541e+000 7.746550952900e+000 1.625344904349e+001 6.371420572414e+000 18.5 7.746550873541e+00 7.746550952900e+00 1.625344904349e+01 6.371420572414e+00
18.8333 9.375124349924e+000 9.375124434474e+000 1.462487556287e+001 6.833351769802e+000 18.8333 9.375124349924e+00 9.375124434474e+00 1.462487556287e+01 6.833351769802e+00
19.1666 1.081616435699e+001 1.081616444777e+001 1.318383555060e+001 7.201577340350e+000 19.1666 1.081616435699e+01 1.081616444777e+01 1.318383555060e+01 7.201577340350e+00
19.5 1.189711477283e+001 1.189711486958e+001 1.210288512967e+001 7.457984760744e+000 19.5 1.189711477283e+01 1.189711486958e+01 1.210288512967e+01 7.457984760744e+00
19.8333 1.247718192302e+001 1.247718202349e+001 1.152281797625e+001 7.589581188921e+000 19.8333 1.247718192302e+01 1.247718202349e+01 1.152281797625e+01 7.589581188921e+00

18
ex12a.out
View File

@ -154,13 +154,13 @@ WARNING: No dispersivities were read; disp = 0 assumed.
------------------------- ------------------------- ------------------------- -------------------------
Distance 20-cell 60-cell 20-cell 60-cell Distance 20-cell 60-cell 20-cell 60-cell
5.0000e-001 4.3817e-006 9.0009e-008 5.0636e-004 3.9397e-005 5.0000e-01 4.3817e-06 9.0009e-08 5.0636e-04 3.9397e-05
1.5000e+000 1.7304e-005 1.0407e-006 5.1077e-004 5.5286e-005 1.5000e+00 1.7304e-05 1.0407e-06 5.1077e-04 5.5286e-05
2.5000e+000 3.5613e-005 3.2028e-006 9.0486e-005 1.4725e-005 2.5000e+00 3.5613e-05 3.2028e-06 9.0486e-05 1.4725e-05
3.5000e+000 4.9599e-005 5.2170e-006 -3.7312e-005 -3.8884e-006 3.5000e+00 4.9599e-05 5.2170e-06 -3.7312e-05 -3.8884e-06
4.5000e+000 5.0063e-005 5.6393e-006 -1.9794e-005 -2.5770e-006 4.5000e+00 5.0063e-05 5.6393e-06 -1.9794e-05 -2.5770e-06
5.5000e+000 3.8208e-005 4.4560e-006 -4.0684e-006 -5.0254e-007 5.5000e+00 3.8208e-05 4.4560e-06 -4.0684e-06 -5.0254e-07
6.5000e+000 2.2627e-005 2.6979e-006 -4.8926e-007 -4.8938e-008 6.5000e+00 2.2627e-05 2.6979e-06 -4.8926e-07 -4.8938e-08
7.5000e+000 1.0547e-005 1.2626e-006 -3.9174e-008 -2.7009e-009 7.5000e+00 1.0547e-05 1.2626e-06 -3.9174e-08 -2.7009e-09
8.5000e+000 3.8231e-006 2.9867e-007 -2.2318e-009 -9.0095e-011 8.5000e+00 3.8231e-06 2.9867e-07 -2.2318e-09 -9.0095e-11

326
ex12a.sel
View File

@ -1,167 +1,167 @@
dist_x temp Na_mmol K_mmol Cl_mmol error_Cl error_Na dist_x temp Na_mmol K_mmol Cl_mmol error_Cl error_Na
0.5 0.000000000000e+000 0.000000000000e+000 2.400000000010e+001 0.000000000000e+000 0.5 0.000000000000e+00 0.000000000000e+00 2.400000000010e+01 0.000000000000e+00
1.5 0.000000000000e+000 0.000000000000e+000 2.400000000010e+001 0.000000000000e+000 1.5 0.000000000000e+00 0.000000000000e+00 2.400000000010e+01 0.000000000000e+00
2.5 0.000000000000e+000 0.000000000000e+000 2.400000000010e+001 0.000000000000e+000 2.5 0.000000000000e+00 0.000000000000e+00 2.400000000010e+01 0.000000000000e+00
3.5 0.000000000000e+000 0.000000000000e+000 2.400000000010e+001 0.000000000000e+000 3.5 0.000000000000e+00 0.000000000000e+00 2.400000000010e+01 0.000000000000e+00
4.5 0.000000000000e+000 0.000000000000e+000 2.400000000010e+001 0.000000000000e+000 4.5 0.000000000000e+00 0.000000000000e+00 2.400000000010e+01 0.000000000000e+00
5.5 0.000000000000e+000 0.000000000000e+000 2.400000000010e+001 0.000000000000e+000 5.5 0.000000000000e+00 0.000000000000e+00 2.400000000010e+01 0.000000000000e+00
6.5 0.000000000000e+000 0.000000000000e+000 2.400000000010e+001 0.000000000000e+000 6.5 0.000000000000e+00 0.000000000000e+00 2.400000000010e+01 0.000000000000e+00
7.5 0.000000000000e+000 0.000000000000e+000 2.400000000010e+001 0.000000000000e+000 7.5 0.000000000000e+00 0.000000000000e+00 2.400000000010e+01 0.000000000000e+00
8.5 0.000000000000e+000 0.000000000000e+000 2.400000000010e+001 0.000000000000e+000 8.5 0.000000000000e+00 0.000000000000e+00 2.400000000010e+01 0.000000000000e+00
9.5 0.000000000000e+000 0.000000000000e+000 2.400000000010e+001 0.000000000000e+000 9.5 0.000000000000e+00 0.000000000000e+00 2.400000000010e+01 0.000000000000e+00
10.5 0.000000000000e+000 0.000000000000e+000 2.400000000010e+001 0.000000000000e+000 10.5 0.000000000000e+00 0.000000000000e+00 2.400000000010e+01 0.000000000000e+00
11.5 0.000000000000e+000 0.000000000000e+000 2.400000000010e+001 0.000000000000e+000 11.5 0.000000000000e+00 0.000000000000e+00 2.400000000010e+01 0.000000000000e+00
12.5 0.000000000000e+000 0.000000000000e+000 2.400000000010e+001 0.000000000000e+000 12.5 0.000000000000e+00 0.000000000000e+00 2.400000000010e+01 0.000000000000e+00
13.5 0.000000000000e+000 0.000000000000e+000 2.400000000010e+001 0.000000000000e+000 13.5 0.000000000000e+00 0.000000000000e+00 2.400000000010e+01 0.000000000000e+00
14.5 0.000000000000e+000 0.000000000000e+000 2.400000000010e+001 0.000000000000e+000 14.5 0.000000000000e+00 0.000000000000e+00 2.400000000010e+01 0.000000000000e+00
15.5 0.000000000000e+000 0.000000000000e+000 2.400000000010e+001 0.000000000000e+000 15.5 0.000000000000e+00 0.000000000000e+00 2.400000000010e+01 0.000000000000e+00
16.5 0.000000000000e+000 0.000000000000e+000 2.400000000010e+001 0.000000000000e+000 16.5 0.000000000000e+00 0.000000000000e+00 2.400000000010e+01 0.000000000000e+00
17.5 0.000000000000e+000 0.000000000000e+000 2.400000000010e+001 0.000000000000e+000 17.5 0.000000000000e+00 0.000000000000e+00 2.400000000010e+01 0.000000000000e+00
18.5 0.000000000000e+000 0.000000000000e+000 2.400000000010e+001 0.000000000000e+000 18.5 0.000000000000e+00 0.000000000000e+00 2.400000000010e+01 0.000000000000e+00
19.5 2.400000000000e+001 2.400000000000e+001 0.000000000000e+000 2.400000000000e+001 19.5 2.400000000000e+01 2.400000000000e+01 0.000000000000e+00 2.400000000000e+01
0.5 1.686181418415e+001 1.686181419284e+001 7.138185798942e+000 2.011377529332e+001 4.381717721817e-006 5.063555346725e-004 0.5 1.686181418415e+01 1.686181419284e+01 7.138185798942e+00 2.011377529332e+01 4.381717721796e-06 5.063555346725e-04
1.5 6.421492325960e+000 6.421492401968e+000 1.757850758483e+001 1.294968671951e+001 1.730376465524e-005 5.107739267527e-004 1.5 6.421492325960e+00 6.421492401968e+00 1.757850758483e+01 1.294968671951e+01 1.730376465524e-05 5.107739267527e-04
2.5 1.759908541854e+000 1.759908596888e+000 2.224009139343e+001 7.342808261321e+000 3.561257289983e-005 9.048612448175e-005 2.5 1.759908541854e+00 1.759908596888e+00 2.224009139343e+01 7.342808261321e+00 3.561257289983e-05 9.048612448175e-05
3.5 3.571924631562e-001 3.571924817828e-001 2.364280751303e+001 3.623408283684e+000 4.959925523712e-005 -3.731213350981e-005 3.5 3.571924631562e-01 3.571924817828e-01 2.364280751303e+01 3.623408283684e+00 4.959925523712e-05 -3.731213350981e-05
4.5 5.490209781370e-002 5.490210180420e-002 2.394509789598e+001 1.538555967129e+000 5.006313596727e-005 -1.979378199420e-005 4.5 5.490209781370e-02 5.490210180420e-02 2.394509789598e+01 1.538555967129e+00 5.006313596727e-05 -1.979378199420e-05
5.5 6.484238380348e-003 6.484238983036e-003 2.399351576029e+001 5.556625533113e-001 3.820767165714e-005 -4.068366980652e-006 5.5 6.484238380348e-03 6.484238983036e-03 2.399351576029e+01 5.556625533113e-01 3.820767165714e-05 -4.068366980652e-06
6.5 5.926340095484e-004 5.926340766454e-004 2.399940736579e+001 1.684990632469e-001 2.262672987200e-005 -4.892608394201e-007 6.5 5.926340095484e-04 5.926340766454e-04 2.399940736579e+01 1.684990632469e-01 2.262672987200e-05 -4.892608394201e-07
7.5 4.190926756604e-005 4.190927316647e-005 2.399995809079e+001 4.224784404205e-002 1.054699173423e-005 -3.917411153371e-008 7.5 4.190926756604e-05 4.190927316647e-05 2.399995809079e+01 4.224784404205e-02 1.054699173423e-05 -3.917411153371e-08
8.5 2.276345750780e-006 2.276346101869e-006 2.399999772377e+001 8.664946370896e-003 3.823149392506e-006 -2.231772077920e-009 8.5 2.276345750780e-06 2.276346101869e-06 2.399999772377e+01 8.664946370896e-03 3.823149392506e-06 -2.231772077920e-09
9.5 1.396593677778e-007 1.396593921610e-007 2.399999986047e+001 2.055609847093e-003 9.5 1.396593677778e-07 1.396593921610e-07 2.399999986047e+01 2.055609847093e-03
10.5 1.138869021831e-006 1.138869196843e-006 2.399999886125e+001 4.374443607427e-003 10.5 1.138869021831e-06 1.138869196843e-06 2.399999886125e+01 4.374443607427e-03
11.5 2.090811414205e-005 2.090811693116e-005 2.399997909198e+001 2.044715368548e-002 11.5 2.090811414205e-05 2.090811693116e-05 2.399997909198e+01 2.044715368548e-02
12.5 2.951795282278e-004 2.951795617165e-004 2.399970482045e+001 7.995922685941e-002 12.5 2.951795282278e-04 2.951795617165e-04 2.399970482045e+01 7.995922685941e-02
13.5 3.221164570742e-003 3.221164872776e-003 2.399677883486e+001 2.567109777341e-001 13.5 3.221164570742e-03 3.221164872776e-03 2.399677883486e+01 2.567109777341e-01
14.5 2.715473190226e-002 2.715473392144e-002 2.397284526516e+001 6.850286499844e-001 14.5 2.715473190226e-02 2.715473392144e-02 2.397284526516e+01 6.850286499844e-01
15.5 1.753541123879e-001 1.753541220808e-001 2.382464587577e+001 1.533872870596e+000 15.5 1.753541123879e-01 1.753541220808e-01 2.382464587577e+01 1.533872870596e+00
16.5 8.525032220200e-001 8.525032534630e-001 2.314749674272e+001 2.902126148041e+000 16.5 8.525032220200e-01 8.525032534630e-01 2.314749674272e+01 2.902126148041e+00
17.5 3.032149931402e+000 3.032149994217e+000 2.096785000079e+001 4.663139220104e+000 17.5 3.032149931402e+00 3.032149994217e+00 2.096785000079e+01 4.663139220104e+00
18.5 7.550952821146e+000 7.550952899111e+000 1.644904709715e+001 6.385483516941e+000 18.5 7.550952821146e+00 7.550952899111e+00 1.644904709715e+01 6.385483516941e+00
19.5 1.235834674495e+001 1.235834684370e+001 1.164165315612e+001 7.468268986482e+000 19.5 1.235834674495e+01 1.235834684370e+01 1.164165315612e+01 7.468268986482e+00
dist_x temp dist_x temp
-99 0.000000000000e+000 -99 0.000000000000e+00
-99 0.000000000000e+000 -99 0.000000000000e+00
dist_x temp Na_mmol K_mmol Cl_mmol error_Cl error_Na dist_x temp Na_mmol K_mmol Cl_mmol error_Cl error_Na
0.166667 0.000000000000e+000 0.000000000000e+000 2.400000000000e+001 0.000000000000e+000 0.166667 0.000000000000e+00 0.000000000000e+00 2.400000000000e+01 0.000000000000e+00
0.5 0.000000000000e+000 0.000000000000e+000 2.400000000000e+001 0.000000000000e+000 0.5 0.000000000000e+00 0.000000000000e+00 2.400000000000e+01 0.000000000000e+00
0.833333 0.000000000000e+000 0.000000000000e+000 2.400000000000e+001 0.000000000000e+000 0.833333 0.000000000000e+00 0.000000000000e+00 2.400000000000e+01 0.000000000000e+00
1.16667 0.000000000000e+000 0.000000000000e+000 2.400000000000e+001 0.000000000000e+000 1.16667 0.000000000000e+00 0.000000000000e+00 2.400000000000e+01 0.000000000000e+00
1.5 0.000000000000e+000 0.000000000000e+000 2.400000000000e+001 0.000000000000e+000 1.5 0.000000000000e+00 0.000000000000e+00 2.400000000000e+01 0.000000000000e+00
1.83333 0.000000000000e+000 0.000000000000e+000 2.400000000000e+001 0.000000000000e+000 1.83333 0.000000000000e+00 0.000000000000e+00 2.400000000000e+01 0.000000000000e+00
2.16667 0.000000000000e+000 0.000000000000e+000 2.400000000000e+001 0.000000000000e+000 2.16667 0.000000000000e+00 0.000000000000e+00 2.400000000000e+01 0.000000000000e+00
2.5 0.000000000000e+000 0.000000000000e+000 2.400000000000e+001 0.000000000000e+000 2.5 0.000000000000e+00 0.000000000000e+00 2.400000000000e+01 0.000000000000e+00
2.83333 0.000000000000e+000 0.000000000000e+000 2.400000000000e+001 0.000000000000e+000 2.83333 0.000000000000e+00 0.000000000000e+00 2.400000000000e+01 0.000000000000e+00
3.16667 0.000000000000e+000 0.000000000000e+000 2.400000000000e+001 0.000000000000e+000 3.16667 0.000000000000e+00 0.000000000000e+00 2.400000000000e+01 0.000000000000e+00
3.5 0.000000000000e+000 0.000000000000e+000 2.400000000000e+001 0.000000000000e+000 3.5 0.000000000000e+00 0.000000000000e+00 2.400000000000e+01 0.000000000000e+00
3.83333 0.000000000000e+000 0.000000000000e+000 2.400000000000e+001 0.000000000000e+000 3.83333 0.000000000000e+00 0.000000000000e+00 2.400000000000e+01 0.000000000000e+00
4.16667 0.000000000000e+000 0.000000000000e+000 2.400000000000e+001 0.000000000000e+000 4.16667 0.000000000000e+00 0.000000000000e+00 2.400000000000e+01 0.000000000000e+00
4.5 0.000000000000e+000 0.000000000000e+000 2.400000000000e+001 0.000000000000e+000 4.5 0.000000000000e+00 0.000000000000e+00 2.400000000000e+01 0.000000000000e+00
4.83333 0.000000000000e+000 0.000000000000e+000 2.400000000000e+001 0.000000000000e+000 4.83333 0.000000000000e+00 0.000000000000e+00 2.400000000000e+01 0.000000000000e+00
5.16667 0.000000000000e+000 0.000000000000e+000 2.400000000000e+001 0.000000000000e+000 5.16667 0.000000000000e+00 0.000000000000e+00 2.400000000000e+01 0.000000000000e+00
5.5 0.000000000000e+000 0.000000000000e+000 2.400000000000e+001 0.000000000000e+000 5.5 0.000000000000e+00 0.000000000000e+00 2.400000000000e+01 0.000000000000e+00
5.83333 0.000000000000e+000 0.000000000000e+000 2.400000000000e+001 0.000000000000e+000 5.83333 0.000000000000e+00 0.000000000000e+00 2.400000000000e+01 0.000000000000e+00
6.16667 0.000000000000e+000 0.000000000000e+000 2.400000000000e+001 0.000000000000e+000 6.16667 0.000000000000e+00 0.000000000000e+00 2.400000000000e+01 0.000000000000e+00
6.5 0.000000000000e+000 0.000000000000e+000 2.400000000000e+001 0.000000000000e+000 6.5 0.000000000000e+00 0.000000000000e+00 2.400000000000e+01 0.000000000000e+00
6.83333 0.000000000000e+000 0.000000000000e+000 2.400000000000e+001 0.000000000000e+000 6.83333 0.000000000000e+00 0.000000000000e+00 2.400000000000e+01 0.000000000000e+00
7.16667 0.000000000000e+000 0.000000000000e+000 2.400000000000e+001 0.000000000000e+000 7.16667 0.000000000000e+00 0.000000000000e+00 2.400000000000e+01 0.000000000000e+00
7.5 0.000000000000e+000 0.000000000000e+000 2.400000000000e+001 0.000000000000e+000 7.5 0.000000000000e+00 0.000000000000e+00 2.400000000000e+01 0.000000000000e+00
7.83333 0.000000000000e+000 0.000000000000e+000 2.400000000000e+001 0.000000000000e+000 7.83333 0.000000000000e+00 0.000000000000e+00 2.400000000000e+01 0.000000000000e+00
8.16667 0.000000000000e+000 0.000000000000e+000 2.400000000000e+001 0.000000000000e+000 8.16667 0.000000000000e+00 0.000000000000e+00 2.400000000000e+01 0.000000000000e+00
8.5 0.000000000000e+000 0.000000000000e+000 2.400000000000e+001 0.000000000000e+000 8.5 0.000000000000e+00 0.000000000000e+00 2.400000000000e+01 0.000000000000e+00
8.83333 0.000000000000e+000 0.000000000000e+000 2.400000000000e+001 0.000000000000e+000 8.83333 0.000000000000e+00 0.000000000000e+00 2.400000000000e+01 0.000000000000e+00
9.16667 0.000000000000e+000 0.000000000000e+000 2.400000000000e+001 0.000000000000e+000 9.16667 0.000000000000e+00 0.000000000000e+00 2.400000000000e+01 0.000000000000e+00
9.5 0.000000000000e+000 0.000000000000e+000 2.400000000000e+001 0.000000000000e+000 9.5 0.000000000000e+00 0.000000000000e+00 2.400000000000e+01 0.000000000000e+00
9.83333 0.000000000000e+000 0.000000000000e+000 2.400000000000e+001 0.000000000000e+000 9.83333 0.000000000000e+00 0.000000000000e+00 2.400000000000e+01 0.000000000000e+00
10.1667 0.000000000000e+000 0.000000000000e+000 2.400000000000e+001 0.000000000000e+000 10.1667 0.000000000000e+00 0.000000000000e+00 2.400000000000e+01 0.000000000000e+00
10.5 0.000000000000e+000 0.000000000000e+000 2.400000000000e+001 0.000000000000e+000 10.5 0.000000000000e+00 0.000000000000e+00 2.400000000000e+01 0.000000000000e+00
10.8333 0.000000000000e+000 0.000000000000e+000 2.400000000000e+001 0.000000000000e+000 10.8333 0.000000000000e+00 0.000000000000e+00 2.400000000000e+01 0.000000000000e+00
11.1667 0.000000000000e+000 0.000000000000e+000 2.400000000000e+001 0.000000000000e+000 11.1667 0.000000000000e+00 0.000000000000e+00 2.400000000000e+01 0.000000000000e+00
11.5 0.000000000000e+000 0.000000000000e+000 2.400000000000e+001 0.000000000000e+000 11.5 0.000000000000e+00 0.000000000000e+00 2.400000000000e+01 0.000000000000e+00
11.8333 0.000000000000e+000 0.000000000000e+000 2.400000000000e+001 0.000000000000e+000 11.8333 0.000000000000e+00 0.000000000000e+00 2.400000000000e+01 0.000000000000e+00
12.1667 0.000000000000e+000 0.000000000000e+000 2.400000000000e+001 0.000000000000e+000 12.1667 0.000000000000e+00 0.000000000000e+00 2.400000000000e+01 0.000000000000e+00
12.5 0.000000000000e+000 0.000000000000e+000 2.400000000000e+001 0.000000000000e+000 12.5 0.000000000000e+00 0.000000000000e+00 2.400000000000e+01 0.000000000000e+00
12.8333 0.000000000000e+000 0.000000000000e+000 2.400000000000e+001 0.000000000000e+000 12.8333 0.000000000000e+00 0.000000000000e+00 2.400000000000e+01 0.000000000000e+00
13.1667 0.000000000000e+000 0.000000000000e+000 2.400000000000e+001 0.000000000000e+000 13.1667 0.000000000000e+00 0.000000000000e+00 2.400000000000e+01 0.000000000000e+00
13.5 0.000000000000e+000 0.000000000000e+000 2.400000000000e+001 0.000000000000e+000 13.5 0.000000000000e+00 0.000000000000e+00 2.400000000000e+01 0.000000000000e+00
13.8333 0.000000000000e+000 0.000000000000e+000 2.400000000000e+001 0.000000000000e+000 13.8333 0.000000000000e+00 0.000000000000e+00 2.400000000000e+01 0.000000000000e+00
14.1667 0.000000000000e+000 0.000000000000e+000 2.400000000000e+001 0.000000000000e+000 14.1667 0.000000000000e+00 0.000000000000e+00 2.400000000000e+01 0.000000000000e+00
14.5 0.000000000000e+000 0.000000000000e+000 2.400000000000e+001 0.000000000000e+000 14.5 0.000000000000e+00 0.000000000000e+00 2.400000000000e+01 0.000000000000e+00
14.8333 0.000000000000e+000 0.000000000000e+000 2.400000000000e+001 0.000000000000e+000 14.8333 0.000000000000e+00 0.000000000000e+00 2.400000000000e+01 0.000000000000e+00
15.1667 0.000000000000e+000 0.000000000000e+000 2.400000000000e+001 0.000000000000e+000 15.1667 0.000000000000e+00 0.000000000000e+00 2.400000000000e+01 0.000000000000e+00
15.5 0.000000000000e+000 0.000000000000e+000 2.400000000000e+001 0.000000000000e+000 15.5 0.000000000000e+00 0.000000000000e+00 2.400000000000e+01 0.000000000000e+00
15.8333 0.000000000000e+000 0.000000000000e+000 2.400000000000e+001 0.000000000000e+000 15.8333 0.000000000000e+00 0.000000000000e+00 2.400000000000e+01 0.000000000000e+00
16.1667 0.000000000000e+000 0.000000000000e+000 2.400000000000e+001 0.000000000000e+000 16.1667 0.000000000000e+00 0.000000000000e+00 2.400000000000e+01 0.000000000000e+00
16.5 0.000000000000e+000 0.000000000000e+000 2.400000000000e+001 0.000000000000e+000 16.5 0.000000000000e+00 0.000000000000e+00 2.400000000000e+01 0.000000000000e+00
16.8333 0.000000000000e+000 0.000000000000e+000 2.400000000000e+001 0.000000000000e+000 16.8333 0.000000000000e+00 0.000000000000e+00 2.400000000000e+01 0.000000000000e+00
17.1667 0.000000000000e+000 0.000000000000e+000 2.400000000000e+001 0.000000000000e+000 17.1667 0.000000000000e+00 0.000000000000e+00 2.400000000000e+01 0.000000000000e+00
17.5 0.000000000000e+000 0.000000000000e+000 2.400000000000e+001 0.000000000000e+000 17.5 0.000000000000e+00 0.000000000000e+00 2.400000000000e+01 0.000000000000e+00
17.8333 0.000000000000e+000 0.000000000000e+000 2.400000000000e+001 0.000000000000e+000 17.8333 0.000000000000e+00 0.000000000000e+00 2.400000000000e+01 0.000000000000e+00
18.1667 0.000000000000e+000 0.000000000000e+000 2.400000000000e+001 0.000000000000e+000 18.1667 0.000000000000e+00 0.000000000000e+00 2.400000000000e+01 0.000000000000e+00
18.5 0.000000000000e+000 0.000000000000e+000 2.400000000000e+001 0.000000000000e+000 18.5 0.000000000000e+00 0.000000000000e+00 2.400000000000e+01 0.000000000000e+00
18.8333 0.000000000000e+000 0.000000000000e+000 2.400000000000e+001 0.000000000000e+000 18.8333 0.000000000000e+00 0.000000000000e+00 2.400000000000e+01 0.000000000000e+00
19.1667 2.400000000000e+001 2.400000000000e+001 0.000000000000e+000 2.400000000000e+001 19.1667 2.400000000000e+01 2.400000000000e+01 0.000000000000e+00 2.400000000000e+01
19.5 2.400000000000e+001 2.400000000000e+001 0.000000000000e+000 2.400000000000e+001 19.5 2.400000000000e+01 2.400000000000e+01 0.000000000000e+00 2.400000000000e+01
19.8333 2.400000000000e+001 2.400000000000e+001 0.000000000000e+000 2.400000000000e+001 19.8333 2.400000000000e+01 2.400000000000e+01 0.000000000000e+00 2.400000000000e+01
0.166667 2.173421305916e+001 2.173421306343e+001 2.265786933713e+000 2.269804666237e+001 0.166667 2.173421305916e+01 2.173421306343e+01 2.265786933713e+00 2.269804666237e+01
0.5 1.732877230198e+001 1.732877231885e+001 6.671227673617e+000 2.011806700231e+001 9.000873106221e-008 3.939740866209e-005 0.5 1.732877230198e+01 1.732877231885e+01 6.671227673617e+00 2.011806700231e+01 9.000873107262e-08 3.939740866210e-05
0.833333 1.328083118787e+001 1.328083122259e+001 1.071916876673e+001 1.760855984610e+001 0.833333 1.328083118787e+01 1.328083122259e+01 1.071916876673e+01 1.760855984610e+01
1.16667 9.764783869793e+000 9.764783923632e+000 1.423521606399e+001 1.521226338251e+001 1.16667 9.764783869793e+00 9.764783923632e+00 1.423521606399e+01 1.521226338251e+01
1.5 6.876979954453e+000 6.876980022636e+000 1.712301996456e+001 1.296594983181e+001 1.040652360852e-006 5.528630608452e-005 1.5 6.876979954453e+00 6.876980022636e+00 1.712301996456e+01 1.296594983181e+01 1.040652360852e-06 5.528630608450e-05
1.83333 4.633445178532e+000 4.633445251920e+000 1.936655473578e+001 1.089878644689e+001 1.83333 4.633445178532e+00 4.633445251920e+00 1.936655473578e+01 1.089878644689e+01
2.16667 2.983957613764e+000 2.983957682798e+000 2.101604230602e+001 9.031332911206e+000 2.16667 2.983957613764e+00 2.983957682798e+00 2.101604230602e+01 9.031332911206e+00
2.5 1.835670035272e+000 1.835670093239e+000 2.216432989702e+001 7.375218041959e+000 3.202792262630e-006 1.472462813060e-005 2.5 1.835670035272e+00 1.835670093239e+00 2.216432989702e+01 7.375218041959e+00 3.202792262636e-06 1.472462813059e-05
2.83333 1.078309641703e+000 1.078309685856e+000 2.292169030594e+001 5.933464823790e+000 2.83333 1.078309641703e+00 1.078309685856e+00 2.292169030595e+01 5.933464823790e+00
3.16667 6.047271172834e-001 6.047271481609e-001 2.339527284513e+001 4.701369003170e+000 3.16667 6.047271172834e-01 6.047271481609e-01 2.339527284513e+01 4.701369003170e+00
3.5 3.237687663205e-001 3.237687863260e-001 2.367623120832e+001 3.667790507037e+000 5.217031883862e-006 -3.888438053031e-006 3.5 3.237687663205e-01 3.237687863260e-01 2.367623120832e+01 3.667790507037e+00 5.217031883860e-06 -3.888438053031e-06
3.83333 1.655091653734e-001 1.655091774635e-001 2.383449081836e+001 2.816693051608e+000 3.83333 1.655091653734e-01 1.655091774635e-01 2.383449081836e+01 2.816693051608e+00
4.16667 8.080184009388e-002 8.080184694437e-002 2.391919814987e+001 2.128765894914e+000 4.16667 8.080184009388e-02 8.080184694437e-02 2.391919814987e+01 2.128765894914e+00
4.5 3.768529738011e-002 3.768530103390e-002 2.396231469660e+001 1.582979760726e+000 5.639342369832e-006 -2.576981223894e-006 4.5 3.768529738011e-02 3.768530103390e-02 2.396231469660e+01 1.582979760726e+00 5.639342369829e-06 -2.576981223895e-06
4.83333 1.679748179371e-002 1.679748363383e-002 2.398320251464e+001 1.157961083145e+000 4.83333 1.679748179371e-02 1.679748363383e-02 2.398320251464e+01 1.157961083145e+00
5.16667 7.158658672534e-003 7.158659549845e-003 2.399284133922e+001 8.331082803365e-001 5.16667 7.158658672534e-03 7.158659549845e-03 2.399284133922e+01 8.331082803365e-01
5.5 2.918406916536e-003 2.918407313330e-003 2.399708159183e+001 5.894142528793e-001 4.455972089161e-006 -5.025353109459e-007 5.5 2.918406916536e-03 2.918407313330e-03 2.399708159183e+01 5.894142528793e-01 4.455972089159e-06 -5.025353109460e-07
5.83333 1.138704483513e-003 1.138704654055e-003 2.399886129476e+001 4.099953343111e-001 5.83333 1.138704483513e-03 1.138704654055e-03 2.399886129476e+01 4.099953343111e-01
6.16667 4.254614091982e-004 4.254614789566e-004 2.399957453813e+001 2.803548753968e-001 6.16667 4.254614091982e-04 4.254614789566e-04 2.399957453813e+01 2.803548753968e-01
6.5 1.523110828883e-004 1.523111100794e-004 2.399984768864e+001 1.884278508346e-001 2.697942284308e-006 -4.893787285414e-008 6.5 1.523110828883e-04 1.523111100794e-04 2.399984768864e+01 1.884278508346e-01 2.697942284307e-06 -4.893787285415e-08
6.83333 5.227158933236e-005 5.227159944410e-005 2.399994772825e+001 1.244614394094e-001 6.83333 5.227158933236e-05 5.227159944410e-05 2.399994772825e+01 1.244614394094e-01
7.16667 1.720693831522e-005 1.720694190652e-005 2.399998279298e+001 8.078687428794e-002 7.16667 1.720693831522e-05 1.720694190652e-05 2.399998279298e+01 8.078687428794e-02
7.5 5.436060934909e-006 5.436062154243e-006 2.399999456390e+001 5.153218578899e-002 1.262649987295e-006 -2.700900521486e-009 7.5 5.436060934909e-06 5.436062154243e-06 2.399999456390e+01 5.153218578899e-02 1.262649987294e-06 -2.700900521486e-09
7.83333 1.649088195275e-006 1.649088591398e-006 2.399999835090e+001 3.231618817421e-002 7.83333 1.649088195275e-06 1.649088591398e-06 2.399999835090e+01 3.231618817421e-02
8.16667 4.806358157844e-007 4.806359390210e-007 2.399999951937e+001 1.995341519399e-002 8.16667 4.806358157844e-07 4.806359390210e-07 2.399999951937e+01 1.995341519399e-02
8.5 1.346685590700e-007 1.346685958190e-007 2.399999986535e+001 1.218943044691e-002 2.986653164920e-007 -9.009457187028e-011 8.5 1.346685590700e-07 1.346685958190e-07 2.399999986535e+01 1.218943044691e-02 2.986653164919e-07 -9.009457187029e-11
8.83333 3.634651793240e-008 3.634652846321e-008 2.399999996368e+001 7.477181954110e-003 8.83333 3.634651793240e-08 3.634652846321e-08 2.399999996368e+01 7.477181954110e-03
9.16667 9.688299803978e-009 9.688302784811e-009 2.399999999035e+001 4.798414842280e-003 9.16667 9.688299803978e-09 9.688302784812e-09 2.399999999035e+01 4.798414842281e-03
9.5 3.521245209155e-009 3.521246352850e-009 2.399999999651e+001 3.529705335044e-003 9.5 3.521245209155e-09 3.521246352851e-09 2.399999999651e+01 3.529705335044e-03
9.83333 5.266729325119e-009 5.266730973922e-009 2.399999999477e+001 3.350197790839e-003 9.83333 5.266729325119e-09 5.266730973922e-09 2.399999999477e+01 3.350197790839e-03
10.1667 1.826814042878e-008 1.826814578557e-008 2.399999998177e+001 4.187174718013e-003 10.1667 1.826814042878e-08 1.826814578557e-08 2.399999998177e+01 4.187174718013e-03
10.5 6.734157441183e-008 6.734159300596e-008 2.399999993269e+001 6.195634765149e-003 10.5 6.734157441183e-08 6.734159300597e-08 2.399999993269e+01 6.195634765149e-03
10.8333 2.402572726136e-007 2.402573349956e-007 2.399999975977e+001 9.768547400314e-003 10.8333 2.402572726136e-07 2.402573349956e-07 2.399999975977e+01 9.768547400314e-03
11.1667 8.242629300769e-007 8.242631307729e-007 2.399999917575e+001 1.557488011753e-002 11.1667 8.242629300769e-07 8.242631307729e-07 2.399999917575e+01 1.557488011753e-02
11.5 2.716856871595e-006 2.716857489997e-006 2.399999728315e+001 2.462240289780e-002 11.5 2.716856871595e-06 2.716857489997e-06 2.399999728315e+01 2.462240289780e-02
11.8333 8.598766106045e-006 8.598767929461e-006 2.399999140121e+001 3.834130427907e-002 11.8333 8.598766106045e-06 8.598767929462e-06 2.399999140121e+01 3.834130427907e-02
12.1667 2.611765408526e-005 2.611765922578e-005 2.399997388229e+001 5.868256892004e-002 12.1667 2.611765408526e-05 2.611765922578e-05 2.399997388229e+01 5.868256892004e-02
12.5 7.608821445992e-005 7.608822830296e-005 2.399992391168e+001 8.822180939123e-002 12.5 7.608821445992e-05 7.608822830296e-05 2.399992391168e+01 8.822180939123e-02
12.8333 2.124903882618e-004 2.124904238356e-004 2.399978750942e+001 1.302549940491e-001 12.8333 2.124903882618e-04 2.124904238356e-04 2.399978750942e+01 1.302549940491e-01
13.1667 5.685276979853e-004 5.685277851296e-004 2.399943147197e+001 1.888677435756e-001 13.1667 5.685276979853e-04 5.685277851296e-04 2.399943147197e+01 1.888677435756e-01
13.5 1.456485427866e-003 1.456485631129e-003 2.399854351400e+001 2.689553860819e-001 13.5 1.456485427866e-03 1.456485631129e-03 2.399854351400e+01 2.689553860820e-01
13.8333 3.570725867122e-003 3.570726317977e-003 2.399642927315e+001 3.761678784771e-001 13.8333 3.570725867122e-03 3.570726317977e-03 2.399642927315e+01 3.761678784771e-01
14.1667 8.372605102191e-003 8.372606051862e-003 2.399162739320e+001 5.167533414739e-001 14.1667 8.372605102191e-03 8.372606051862e-03 2.399162739320e+01 5.167533414739e-01
14.5 1.876649314861e-002 1.876649504529e-002 2.398123350393e+001 6.972776485213e-001 14.5 1.876649314861e-02 1.876649504529e-02 2.398123350393e+01 6.972776485213e-01
14.8333 4.018818934234e-002 4.018819292759e-002 2.395981180570e+001 9.242063091076e-001 14.8333 4.018818934234e-02 4.018819292759e-02 2.395981180570e+01 9.242063091076e-01
15.1667 8.218523044497e-002 8.218523684709e-002 2.391781476136e+001 1.203349228728e+000 15.1667 8.218523044497e-02 8.218523684709e-02 2.391781476136e+01 1.203349228728e+00
15.5 1.604251797020e-001 1.604251904787e-001 2.383957480726e+001 1.539188295219e+000 15.5 1.604251797020e-01 1.604251904787e-01 2.383957480726e+01 1.539188295219e+00
15.8333 2.987842293055e-001 2.987842463674e-001 2.370121575085e+001 1.934130436527e+000 15.8333 2.987842293055e-01 2.987842463674e-01 2.370121575085e+01 1.934130436527e+00
16.1667 5.307560799548e-001 5.307561053046e-001 2.346924389137e+001 2.387751903542e+000 16.1667 5.307560799548e-01 5.307561053046e-01 2.346924389137e+01 2.387751903542e+00
16.5 8.989923689458e-001 8.989924042222e-001 2.310100759190e+001 2.896119155491e+000 16.5 8.989923689458e-01 8.989924042222e-01 2.310100759190e+01 2.896119155491e+00
16.8333 1.451577886835e+000 1.451577932772e+000 2.254842206287e+001 3.451283515311e+000 16.8333 1.451577886835e+00 1.451577932772e+00 2.254842206287e+01 3.451283515311e+00
17.1667 2.233968006579e+000 2.233968062630e+000 2.176603193265e+001 4.041046701784e+000 17.1667 2.233968006579e+00 2.233968062630e+00 2.176603193265e+01 4.041046701784e+00
17.5 3.276605594066e+000 3.276605658496e+000 2.072339433662e+001 4.649079665446e+000 17.5 3.276605594066e+00 3.276605658496e+00 2.072339433662e+01 4.649079665446e+00
17.8333 4.580028376255e+000 4.580028446844e+000 1.941997154838e+001 5.255447192263e+000 17.8333 4.580028376255e+00 4.580028446844e+00 1.941997154838e+01 5.255447192263e+00
18.1667 6.101260773083e+000 6.101260848195e+000 1.789873914746e+001 5.837547513147e+000 18.1667 6.101260773083e+00 6.101260848195e+00 1.789873914746e+01 5.837547513147e+00
18.5 7.746551133352e+000 7.746551212711e+000 1.625344878367e+001 6.371424480938e+000 18.5 7.746551133353e+00 7.746551212711e+00 1.625344878367e+01 6.371424480938e+00
18.8333 9.375127722697e+000 9.375127807246e+000 1.462487219010e+001 6.833356874108e+000 18.8333 9.375127722697e+00 9.375127807246e+00 1.462487219010e+01 6.833356874108e+00
19.1667 1.081617088116e+001 1.081617097194e+001 1.318382902644e+001 7.201583440769e+000 19.1667 1.081617088116e+01 1.081617097194e+01 1.318382902644e+01 7.201583440769e+00
19.5 1.189712387179e+001 1.189712396854e+001 1.210287603071e+001 7.457991576124e+000 19.5 1.189712387179e+01 1.189712396854e+01 1.210287603071e+01 7.457991576124e+00
19.8333 1.247719247117e+001 1.247719257163e+001 1.152280742811e+001 7.589588377811e+000 19.8333 1.247719247117e+01 1.247719257163e+01 1.152280742811e+01 7.589588377811e+00
dist_x temp Na_mmol K_mmol Cl_mmol error_Cl error_Na dist_x temp Na_mmol K_mmol Cl_mmol error_Cl error_Na
-99 25.000 0.0000e+000 0.0000e+000 0.0000e+000 -99 25.000 0.0000e+00 0.0000e+00 0.0000e+00

162
ex13a.out
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@ -46,9 +46,9 @@ Initial solution 0.
Elements Molality Moles Elements Molality Moles
Cl 1.000e-003 1.000e-003 Cl 1.000e-03 1.000e-03
N(5) 1.000e-003 1.000e-003 N(5) 1.000e-03 1.000e-03
Na 1.000e-003 1.000e-003 Na 1.000e-03 1.000e-03
----------------------------Description of solution---------------------------- ----------------------------Description of solution----------------------------
@ -57,37 +57,37 @@ Initial solution 0.
Specific Conductance (uS/cm, 25 oC) = 192 Specific Conductance (uS/cm, 25 oC) = 192
Density (g/cm3) = 0.99708 Density (g/cm3) = 0.99708
Activity of water = 1.000 Activity of water = 1.000
Ionic strength = 1.500e-003 Ionic strength = 1.500e-03
Mass of water (kg) = 1.000e+000 Mass of water (kg) = 1.000e+00
Total alkalinity (eq/kg) = 4.551e-010 Total alkalinity (eq/kg) = 4.551e-10
Total carbon (mol/kg) = 0.000e+000 Total carbon (mol/kg) = 0.000e+00
Total CO2 (mol/kg) = 0.000e+000 Total CO2 (mol/kg) = 0.000e+00
Temperature (deg C) = 25.00 Temperature (deg C) = 25.00
Electrical balance (eq) = -1.000e-003 Electrical balance (eq) = -1.000e-03
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -33.33 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -33.33
Iterations = 3 Iterations = 3
Total H = 1.110124e+002 Total H = 1.110124e+02
Total O = 5.550973e+001 Total O = 5.550973e+01
----------------------------Distribution of species---------------------------- ----------------------------Distribution of species----------------------------
Log Log Log Log Log Log
Species Molality Activity Molality Activity Gamma Species Molality Activity Molality Activity Gamma
OH- 1.046e-007 1.001e-007 -6.981 -7.000 -0.019 OH- 1.046e-07 1.001e-07 -6.981 -7.000 -0.019
H+ 1.042e-007 1.000e-007 -6.982 -7.000 -0.018 H+ 1.042e-07 1.000e-07 -6.982 -7.000 -0.018
H2O 5.551e+001 9.999e-001 1.744 -0.000 0.000 H2O 5.551e+01 9.999e-01 1.744 -0.000 0.000
Cl 1.000e-003 Cl 1.000e-03
Cl- 1.000e-003 9.576e-004 -3.000 -3.019 -0.019 Cl- 1.000e-03 9.576e-04 -3.000 -3.019 -0.019
H(0) 0.000e+000 H(0) 0.000e+00
H2 0.000e+000 0.000e+000 -44.394 -44.394 0.000 H2 0.000e+00 0.000e+00 -44.394 -44.394 0.000
N(5) 1.000e-003 N(5) 1.000e-03
NO3- 1.000e-003 9.573e-004 -3.000 -3.019 -0.019 NO3- 1.000e-03 9.573e-04 -3.000 -3.019 -0.019
Na 1.000e-003 Na 1.000e-03
Na+ 1.000e-003 9.580e-004 -3.000 -3.019 -0.019 Na+ 1.000e-03 9.580e-04 -3.000 -3.019 -0.019
NaOH 6.327e-011 6.329e-011 -10.199 -10.199 0.000 NaOH 6.327e-11 6.329e-11 -10.199 -10.199 0.000
O(0) 5.111e-004 O(0) 5.111e-04
O2 2.556e-004 2.556e-004 -3.593 -3.592 0.000 O2 2.556e-04 2.556e-04 -3.593 -3.592 0.000
------------------------------Saturation indices------------------------------- ------------------------------Saturation indices-------------------------------
@ -131,8 +131,8 @@ Initial solution 1.
Elements Molality Moles Elements Molality Moles
K 1.000e-003 1.000e-003 K 1.000e-03 1.000e-03
N(5) 1.000e-003 1.000e-003 N(5) 1.000e-03 1.000e-03
----------------------------Description of solution---------------------------- ----------------------------Description of solution----------------------------
@ -141,35 +141,35 @@ Initial solution 1.
Specific Conductance (uS/cm, 25 oC) = 141 Specific Conductance (uS/cm, 25 oC) = 141
Density (g/cm3) = 0.99707 Density (g/cm3) = 0.99707
Activity of water = 1.000 Activity of water = 1.000
Ionic strength = 1.000e-003 Ionic strength = 1.000e-03
Mass of water (kg) = 1.000e+000 Mass of water (kg) = 1.000e+00
Total alkalinity (eq/kg) = 3.350e-010 Total alkalinity (eq/kg) = 3.350e-10
Total carbon (mol/kg) = 0.000e+000 Total carbon (mol/kg) = 0.000e+00
Total CO2 (mol/kg) = 0.000e+000 Total CO2 (mol/kg) = 0.000e+00
Temperature (deg C) = 25.00 Temperature (deg C) = 25.00
Electrical balance (eq) = -3.350e-010 Electrical balance (eq) = -3.350e-10
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00
Iterations = 3 Iterations = 3
Total H = 1.110124e+002 Total H = 1.110124e+02
Total O = 5.550973e+001 Total O = 5.550973e+01
----------------------------Distribution of species---------------------------- ----------------------------Distribution of species----------------------------
Log Log Log Log Log Log
Species Molality Activity Molality Activity Gamma Species Molality Activity Molality Activity Gamma
OH- 1.038e-007 1.001e-007 -6.984 -7.000 -0.016 OH- 1.038e-07 1.001e-07 -6.984 -7.000 -0.016
H+ 1.034e-007 1.000e-007 -6.985 -7.000 -0.015 H+ 1.034e-07 1.000e-07 -6.985 -7.000 -0.015
H2O 5.551e+001 1.000e+000 1.744 -0.000 0.000 H2O 5.551e+01 1.000e+00 1.744 -0.000 0.000
H(0) 0.000e+000 H(0) 0.000e+00
H2 0.000e+000 0.000e+000 -44.394 -44.394 0.000 H2 0.000e+00 0.000e+00 -44.394 -44.394 0.000
K 1.000e-003 K 1.000e-03
K+ 1.000e-003 9.649e-004 -3.000 -3.016 -0.016 K+ 1.000e-03 9.649e-04 -3.000 -3.016 -0.016
KOH 3.345e-011 3.346e-011 -10.476 -10.476 0.000 KOH 3.345e-11 3.346e-11 -10.476 -10.476 0.000
N(5) 1.000e-003 N(5) 1.000e-03
NO3- 1.000e-003 9.647e-004 -3.000 -3.016 -0.016 NO3- 1.000e-03 9.647e-04 -3.000 -3.016 -0.016
O(0) 5.112e-004 O(0) 5.112e-04
O2 2.556e-004 2.556e-004 -3.592 -3.592 0.000 O2 2.556e-04 2.556e-04 -3.592 -3.592 0.000
------------------------------Saturation indices------------------------------- ------------------------------Saturation indices-------------------------------
@ -186,12 +186,12 @@ Beginning of initial exchange-composition calculations.
Exchange 1. Exchange 1.
X 1.000e-003 mol X 1.000e-03 mol
Equiv- Equivalent Log Equiv- Equivalent Log
Species Moles alents Fraction Gamma Species Moles alents Fraction Gamma
KX 1.000e-003 1.000e-003 1.000e+000 -0.016 KX 1.000e-03 1.000e-03 1.000e+00 -0.016
----------------------------------------- -----------------------------------------
Beginning of batch-reaction calculations. Beginning of batch-reaction calculations.
@ -204,20 +204,20 @@ Using exchange 1. Exchange assemblage after simulation 2.
-----------------------------Exchange composition------------------------------ -----------------------------Exchange composition------------------------------
X 1.000e-003 mol X 1.000e-03 mol
Equiv- Equivalent Log Equiv- Equivalent Log
Species Moles alents Fraction Gamma Species Moles alents Fraction Gamma
KX 1.000e-003 1.000e-003 1.000e+000 -0.016 KX 1.000e-03 1.000e-03 1.000e+00 -0.016
NH4X 5.032e-063 5.032e-063 5.032e-060 -0.016 NH4X 5.032e-63 5.032e-63 5.032e-60 -0.016
-----------------------------Solution composition------------------------------ -----------------------------Solution composition------------------------------
Elements Molality Moles Elements Molality Moles
K 1.000e-003 1.000e-003 K 1.000e-03 1.000e-03
N 1.000e-003 1.000e-003 N 1.000e-03 1.000e-03
----------------------------Description of solution---------------------------- ----------------------------Description of solution----------------------------
@ -226,42 +226,42 @@ X 1.000e-003 mol
Specific Conductance (uS/cm, 25 oC) = 141 Specific Conductance (uS/cm, 25 oC) = 141
Density (g/cm3) = 0.99707 Density (g/cm3) = 0.99707
Activity of water = 1.000 Activity of water = 1.000
Ionic strength = 1.000e-003 Ionic strength = 1.000e-03
Mass of water (kg) = 1.000e+000 Mass of water (kg) = 1.000e+00
Total alkalinity (eq/kg) = 3.350e-010 Total alkalinity (eq/kg) = 3.350e-10
Total carbon (mol/kg) = 0.000e+000 Total carbon (mol/kg) = 0.000e+00
Total CO2 (mol/kg) = 0.000e+000 Total CO2 (mol/kg) = 0.000e+00
Temperature (deg C) = 25.00 Temperature (deg C) = 25.00
Electrical balance (eq) = -3.350e-010 Electrical balance (eq) = -3.350e-10
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00
Iterations = 0 Iterations = 0
Total H = 1.110124e+002 Total H = 1.110124e+02
Total O = 5.550973e+001 Total O = 5.550973e+01
----------------------------Distribution of species---------------------------- ----------------------------Distribution of species----------------------------
Log Log Log Log Log Log
Species Molality Activity Molality Activity Gamma Species Molality Activity Molality Activity Gamma
OH- 1.038e-007 1.001e-007 -6.984 -7.000 -0.016 OH- 1.038e-07 1.001e-07 -6.984 -7.000 -0.016
H+ 1.034e-007 1.000e-007 -6.985 -7.000 -0.015 H+ 1.034e-07 1.000e-07 -6.985 -7.000 -0.015
H2O 5.551e+001 1.000e+000 1.744 -0.000 0.000 H2O 5.551e+01 1.000e+00 1.744 -0.000 0.000
H(0) 0.000e+000 H(0) 0.000e+00
H2 0.000e+000 0.000e+000 -44.394 -44.394 0.000 H2 0.000e+00 0.000e+00 -44.394 -44.394 0.000
K 1.000e-003 K 1.000e-03
K+ 1.000e-003 9.649e-004 -3.000 -3.016 -0.016 K+ 1.000e-03 9.649e-04 -3.000 -3.016 -0.016
KOH 3.345e-011 3.346e-011 -10.476 -10.476 0.000 KOH 3.345e-11 3.346e-11 -10.476 -10.476 0.000
N(-3) 0.000e+000 N(-3) 0.000e+00
NH4+ 0.000e+000 0.000e+000 -62.898 -62.914 -0.016 NH4+ 0.000e+00 0.000e+00 -62.898 -62.914 -0.016
NH3 0.000e+000 0.000e+000 -65.158 -65.158 0.000 NH3 0.000e+00 0.000e+00 -65.158 -65.158 0.000
N(0) 1.351e-019 N(0) 1.351e-19
N2 6.755e-020 6.756e-020 -19.170 -19.170 0.000 N2 6.755e-20 6.756e-20 -19.170 -19.170 0.000
N(3) 2.119e-016 N(3) 2.119e-16
NO2- 2.119e-016 2.044e-016 -15.674 -15.689 -0.016 NO2- 2.119e-16 2.044e-16 -15.674 -15.689 -0.016
N(5) 1.000e-003 N(5) 1.000e-03
NO3- 1.000e-003 9.647e-004 -3.000 -3.016 -0.016 NO3- 1.000e-03 9.647e-04 -3.000 -3.016 -0.016
O(0) 5.112e-004 O(0) 5.112e-04
O2 2.556e-004 2.556e-004 -3.592 -3.592 0.000 O2 2.556e-04 2.556e-04 -3.592 -3.592 0.000
------------------------------Saturation indices------------------------------- ------------------------------Saturation indices-------------------------------

132
ex13a.sel
View File

@ -1,67 +1,67 @@
soln dist_x Cl_mmol Na_mmol soln dist_x Cl_mmol Na_mmol
1 0.05 9.6495e-001 8.8504e-001 1 0.05 9.6495e-01 8.8504e-01
2 0.15 9.1812e-001 6.9360e-001 2 0.15 9.1812e-01 6.9360e-01
3 0.25 8.4451e-001 4.3288e-001 3 0.25 8.4451e-01 4.3288e-01
4 0.35 7.1652e-001 1.9734e-001 4 0.35 7.1652e-01 1.9734e-01
5 0.45 4.9952e-001 6.0705e-002 5 0.45 4.9952e-01 6.0705e-02
6 0.55 2.4048e-001 1.1785e-002 6 0.55 2.4048e-01 1.1785e-02
7 0.65 7.2812e-002 1.4039e-003 7 0.65 7.2812e-02 1.4039e-03
8 0.75 1.3132e-002 9.9324e-005 8 0.75 1.3132e-02 9.9324e-05
9 0.85 1.2882e-003 3.8318e-006 9 0.85 1.2882e-03 3.8318e-06
10 0.95 5.2940e-005 6.2140e-008 10 0.95 5.2940e-05 6.2140e-08
11 1.05 0.0000e+000 0.0000e+000 11 1.05 0.0000e+00 0.0000e+00
12 1.15 0.0000e+000 0.0000e+000 12 1.15 0.0000e+00 0.0000e+00
13 1.25 0.0000e+000 0.0000e+000 13 1.25 0.0000e+00 0.0000e+00
14 1.35 0.0000e+000 0.0000e+000 14 1.35 0.0000e+00 0.0000e+00
15 1.45 0.0000e+000 0.0000e+000 15 1.45 0.0000e+00 0.0000e+00
16 1.55 0.0000e+000 0.0000e+000 16 1.55 0.0000e+00 0.0000e+00
17 1.65 0.0000e+000 0.0000e+000 17 1.65 0.0000e+00 0.0000e+00
18 1.75 0.0000e+000 0.0000e+000 18 1.75 0.0000e+00 0.0000e+00
19 1.85 0.0000e+000 0.0000e+000 19 1.85 0.0000e+00 0.0000e+00
20 1.95 0.0000e+000 0.0000e+000 20 1.95 0.0000e+00 0.0000e+00
1 0.05 7.5889e-003 2.0250e-002 1 0.05 7.5889e-03 2.0250e-02
2 0.15 1.7993e-002 5.0943e-002 2 0.15 1.7993e-02 5.0943e-02
3 0.25 3.3135e-002 1.0209e-001 3 0.25 3.3135e-02 1.0209e-01
4 0.35 5.3591e-002 1.7480e-001 4 0.35 5.3591e-02 1.7480e-01
5 0.45 8.0158e-002 2.5484e-001 5 0.45 8.0158e-02 2.5484e-01
6 0.55 1.1396e-001 3.1308e-001 6 0.55 1.1396e-01 3.1308e-01
7 0.65 1.5767e-001 3.2277e-001 7 0.65 1.5767e-01 3.2277e-01
8 0.75 2.1666e-001 2.7968e-001 8 0.75 2.1666e-01 2.7968e-01
9 0.85 2.9573e-001 2.0468e-001 9 0.85 2.9573e-01 2.0468e-01
10 0.95 3.8769e-001 1.2726e-001 10 0.95 3.8769e-01 1.2726e-01
11 1.05 4.6467e-001 6.7581e-002 11 1.05 4.6467e-01 6.7581e-02
12 1.15 4.9243e-001 3.0745e-002 12 1.15 4.9243e-01 3.0745e-02
13 1.25 4.5811e-001 1.1988e-002 13 1.25 4.5811e-01 1.1988e-02
14 1.35 3.7620e-001 3.9981e-003 14 1.35 3.7620e-01 3.9981e-03
15 1.45 2.7323e-001 1.1366e-003 15 1.45 2.7323e-01 1.1366e-03
16 1.55 1.7416e-001 2.7440e-004 16 1.55 1.7416e-01 2.7440e-04
17 1.65 9.6074e-002 5.6038e-005 17 1.65 9.6074e-02 5.6038e-05
18 1.75 4.5211e-002 9.6477e-006 18 1.75 4.5211e-02 9.6477e-06
19 1.85 1.7934e-002 1.3954e-006 19 1.85 1.7934e-02 1.3954e-06
20 1.95 6.4869e-003 1.7678e-007 20 1.95 6.4869e-03 1.7678e-07
0 -99 1.0001e+000 1.0001e+000 0 -99 1.0001e+00 1.0001e+00
1 -99 0.0000e+000 0.0000e+000 1 -99 0.0000e+00 0.0000e+00
1 -99 0.0000e+000 0.0000e+000 1 -99 0.0000e+00 0.0000e+00
1 -99 0.0000e+000 0.0000e+000 1 -99 0.0000e+00 0.0000e+00
1 -99 0.0000e+000 0.0000e+000 1 -99 0.0000e+00 0.0000e+00
1 0.05 0.0000e+000 0.0000e+000 1 0.05 0.0000e+00 0.0000e+00
2 0.15 0.0000e+000 0.0000e+000 2 0.15 0.0000e+00 0.0000e+00
3 0.25 0.0000e+000 0.0000e+000 3 0.25 0.0000e+00 0.0000e+00
4 0.35 0.0000e+000 0.0000e+000 4 0.35 0.0000e+00 0.0000e+00
5 0.45 0.0000e+000 0.0000e+000 5 0.45 0.0000e+00 0.0000e+00
6 0.55 0.0000e+000 0.0000e+000 6 0.55 0.0000e+00 0.0000e+00
7 0.65 0.0000e+000 0.0000e+000 7 0.65 0.0000e+00 0.0000e+00
8 0.75 0.0000e+000 0.0000e+000 8 0.75 0.0000e+00 0.0000e+00
9 0.85 0.0000e+000 0.0000e+000 9 0.85 0.0000e+00 0.0000e+00
10 0.95 0.0000e+000 0.0000e+000 10 0.95 0.0000e+00 0.0000e+00
11 1.05 0.0000e+000 0.0000e+000 11 1.05 0.0000e+00 0.0000e+00
12 1.15 0.0000e+000 0.0000e+000 12 1.15 0.0000e+00 0.0000e+00
13 1.25 0.0000e+000 0.0000e+000 13 1.25 0.0000e+00 0.0000e+00
14 1.35 0.0000e+000 0.0000e+000 14 1.35 0.0000e+00 0.0000e+00
15 1.45 0.0000e+000 0.0000e+000 15 1.45 0.0000e+00 0.0000e+00
16 1.55 0.0000e+000 0.0000e+000 16 1.55 0.0000e+00 0.0000e+00
17 1.65 0.0000e+000 0.0000e+000 17 1.65 0.0000e+00 0.0000e+00
18 1.75 0.0000e+000 0.0000e+000 18 1.75 0.0000e+00 0.0000e+00
19 1.85 0.0000e+000 0.0000e+000 19 1.85 0.0000e+00 0.0000e+00
20 1.95 0.0000e+000 0.0000e+000 20 1.95 0.0000e+00 0.0000e+00
0 -99 0.0000e+000 0.0000e+000 0 -99 0.0000e+00 0.0000e+00

162
ex13ac.out
View File

@ -46,9 +46,9 @@ Initial solution 0.
Elements Molality Moles Elements Molality Moles
Cl 1.000e-003 1.000e-003 Cl 1.000e-03 1.000e-03
N(5) 1.000e-003 1.000e-003 N(5) 1.000e-03 1.000e-03
Na 1.000e-003 1.000e-003 Na 1.000e-03 1.000e-03
----------------------------Description of solution---------------------------- ----------------------------Description of solution----------------------------
@ -57,37 +57,37 @@ Initial solution 0.
Specific Conductance (uS/cm, 25 oC) = 192 Specific Conductance (uS/cm, 25 oC) = 192
Density (g/cm3) = 0.99708 Density (g/cm3) = 0.99708
Activity of water = 1.000 Activity of water = 1.000
Ionic strength = 1.500e-003 Ionic strength = 1.500e-03
Mass of water (kg) = 1.000e+000 Mass of water (kg) = 1.000e+00
Total alkalinity (eq/kg) = 4.551e-010 Total alkalinity (eq/kg) = 4.551e-10
Total carbon (mol/kg) = 0.000e+000 Total carbon (mol/kg) = 0.000e+00
Total CO2 (mol/kg) = 0.000e+000 Total CO2 (mol/kg) = 0.000e+00
Temperature (deg C) = 25.00 Temperature (deg C) = 25.00
Electrical balance (eq) = -1.000e-003 Electrical balance (eq) = -1.000e-03
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -33.33 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -33.33
Iterations = 3 Iterations = 3
Total H = 1.110124e+002 Total H = 1.110124e+02
Total O = 5.550973e+001 Total O = 5.550973e+01
----------------------------Distribution of species---------------------------- ----------------------------Distribution of species----------------------------
Log Log Log Log Log Log
Species Molality Activity Molality Activity Gamma Species Molality Activity Molality Activity Gamma
OH- 1.046e-007 1.001e-007 -6.981 -7.000 -0.019 OH- 1.046e-07 1.001e-07 -6.981 -7.000 -0.019
H+ 1.042e-007 1.000e-007 -6.982 -7.000 -0.018 H+ 1.042e-07 1.000e-07 -6.982 -7.000 -0.018
H2O 5.551e+001 9.999e-001 1.744 -0.000 0.000 H2O 5.551e+01 9.999e-01 1.744 -0.000 0.000
Cl 1.000e-003 Cl 1.000e-03
Cl- 1.000e-003 9.576e-004 -3.000 -3.019 -0.019 Cl- 1.000e-03 9.576e-04 -3.000 -3.019 -0.019
H(0) 0.000e+000 H(0) 0.000e+00
H2 0.000e+000 0.000e+000 -44.394 -44.394 0.000 H2 0.000e+00 0.000e+00 -44.394 -44.394 0.000
N(5) 1.000e-003 N(5) 1.000e-03
NO3- 1.000e-003 9.573e-004 -3.000 -3.019 -0.019 NO3- 1.000e-03 9.573e-04 -3.000 -3.019 -0.019
Na 1.000e-003 Na 1.000e-03
Na+ 1.000e-003 9.580e-004 -3.000 -3.019 -0.019 Na+ 1.000e-03 9.580e-04 -3.000 -3.019 -0.019
NaOH 6.327e-011 6.329e-011 -10.199 -10.199 0.000 NaOH 6.327e-11 6.329e-11 -10.199 -10.199 0.000
O(0) 5.111e-004 O(0) 5.111e-04
O2 2.556e-004 2.556e-004 -3.593 -3.592 0.000 O2 2.556e-04 2.556e-04 -3.593 -3.592 0.000
------------------------------Saturation indices------------------------------- ------------------------------Saturation indices-------------------------------
@ -131,8 +131,8 @@ Initial solution 1.
Elements Molality Moles Elements Molality Moles
K 1.000e-003 1.000e-003 K 1.000e-03 1.000e-03
N(5) 1.000e-003 1.000e-003 N(5) 1.000e-03 1.000e-03
----------------------------Description of solution---------------------------- ----------------------------Description of solution----------------------------
@ -141,35 +141,35 @@ Initial solution 1.
Specific Conductance (uS/cm, 25 oC) = 141 Specific Conductance (uS/cm, 25 oC) = 141
Density (g/cm3) = 0.99707 Density (g/cm3) = 0.99707
Activity of water = 1.000 Activity of water = 1.000
Ionic strength = 1.000e-003 Ionic strength = 1.000e-03
Mass of water (kg) = 1.000e+000 Mass of water (kg) = 1.000e+00
Total alkalinity (eq/kg) = 3.350e-010 Total alkalinity (eq/kg) = 3.350e-10
Total carbon (mol/kg) = 0.000e+000 Total carbon (mol/kg) = 0.000e+00
Total CO2 (mol/kg) = 0.000e+000 Total CO2 (mol/kg) = 0.000e+00
Temperature (deg C) = 25.00 Temperature (deg C) = 25.00
Electrical balance (eq) = -3.350e-010 Electrical balance (eq) = -3.350e-10
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00
Iterations = 3 Iterations = 3
Total H = 1.110124e+002 Total H = 1.110124e+02
Total O = 5.550973e+001 Total O = 5.550973e+01
----------------------------Distribution of species---------------------------- ----------------------------Distribution of species----------------------------
Log Log Log Log Log Log
Species Molality Activity Molality Activity Gamma Species Molality Activity Molality Activity Gamma
OH- 1.038e-007 1.001e-007 -6.984 -7.000 -0.016 OH- 1.038e-07 1.001e-07 -6.984 -7.000 -0.016
H+ 1.034e-007 1.000e-007 -6.985 -7.000 -0.015 H+ 1.034e-07 1.000e-07 -6.985 -7.000 -0.015
H2O 5.551e+001 1.000e+000 1.744 -0.000 0.000 H2O 5.551e+01 1.000e+00 1.744 -0.000 0.000
H(0) 0.000e+000 H(0) 0.000e+00
H2 0.000e+000 0.000e+000 -44.394 -44.394 0.000 H2 0.000e+00 0.000e+00 -44.394 -44.394 0.000
K 1.000e-003 K 1.000e-03
K+ 1.000e-003 9.649e-004 -3.000 -3.016 -0.016 K+ 1.000e-03 9.649e-04 -3.000 -3.016 -0.016
KOH 3.345e-011 3.346e-011 -10.476 -10.476 0.000 KOH 3.345e-11 3.346e-11 -10.476 -10.476 0.000
N(5) 1.000e-003 N(5) 1.000e-03
NO3- 1.000e-003 9.647e-004 -3.000 -3.016 -0.016 NO3- 1.000e-03 9.647e-04 -3.000 -3.016 -0.016
O(0) 5.112e-004 O(0) 5.112e-04
O2 2.556e-004 2.556e-004 -3.592 -3.592 0.000 O2 2.556e-04 2.556e-04 -3.592 -3.592 0.000
------------------------------Saturation indices------------------------------- ------------------------------Saturation indices-------------------------------
@ -186,12 +186,12 @@ Beginning of initial exchange-composition calculations.
Exchange 1. Exchange 1.
X 1.000e-003 mol X 1.000e-03 mol
Equiv- Equivalent Log Equiv- Equivalent Log
Species Moles alents Fraction Gamma Species Moles alents Fraction Gamma
KX 1.000e-003 1.000e-003 1.000e+000 -0.016 KX 1.000e-03 1.000e-03 1.000e+00 -0.016
----------------------------------------- -----------------------------------------
Beginning of batch-reaction calculations. Beginning of batch-reaction calculations.
@ -204,20 +204,20 @@ Using exchange 1. Exchange assemblage after simulation 2.
-----------------------------Exchange composition------------------------------ -----------------------------Exchange composition------------------------------
X 1.000e-003 mol X 1.000e-03 mol
Equiv- Equivalent Log Equiv- Equivalent Log
Species Moles alents Fraction Gamma Species Moles alents Fraction Gamma
KX 1.000e-003 1.000e-003 1.000e+000 -0.016 KX 1.000e-03 1.000e-03 1.000e+00 -0.016
NH4X 5.032e-063 5.032e-063 5.032e-060 -0.016 NH4X 5.032e-63 5.032e-63 5.032e-60 -0.016
-----------------------------Solution composition------------------------------ -----------------------------Solution composition------------------------------
Elements Molality Moles Elements Molality Moles
K 1.000e-003 1.000e-003 K 1.000e-03 1.000e-03
N 1.000e-003 1.000e-003 N 1.000e-03 1.000e-03
----------------------------Description of solution---------------------------- ----------------------------Description of solution----------------------------
@ -226,42 +226,42 @@ X 1.000e-003 mol
Specific Conductance (uS/cm, 25 oC) = 141 Specific Conductance (uS/cm, 25 oC) = 141
Density (g/cm3) = 0.99707 Density (g/cm3) = 0.99707
Activity of water = 1.000 Activity of water = 1.000
Ionic strength = 1.000e-003 Ionic strength = 1.000e-03
Mass of water (kg) = 1.000e+000 Mass of water (kg) = 1.000e+00
Total alkalinity (eq/kg) = 3.350e-010 Total alkalinity (eq/kg) = 3.350e-10
Total carbon (mol/kg) = 0.000e+000 Total carbon (mol/kg) = 0.000e+00
Total CO2 (mol/kg) = 0.000e+000 Total CO2 (mol/kg) = 0.000e+00
Temperature (deg C) = 25.00 Temperature (deg C) = 25.00
Electrical balance (eq) = -3.350e-010 Electrical balance (eq) = -3.350e-10
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00
Iterations = 0 Iterations = 0
Total H = 1.110124e+002 Total H = 1.110124e+02
Total O = 5.550973e+001 Total O = 5.550973e+01
----------------------------Distribution of species---------------------------- ----------------------------Distribution of species----------------------------
Log Log Log Log Log Log
Species Molality Activity Molality Activity Gamma Species Molality Activity Molality Activity Gamma
OH- 1.038e-007 1.001e-007 -6.984 -7.000 -0.016 OH- 1.038e-07 1.001e-07 -6.984 -7.000 -0.016
H+ 1.034e-007 1.000e-007 -6.985 -7.000 -0.015 H+ 1.034e-07 1.000e-07 -6.985 -7.000 -0.015
H2O 5.551e+001 1.000e+000 1.744 -0.000 0.000 H2O 5.551e+01 1.000e+00 1.744 -0.000 0.000
H(0) 0.000e+000 H(0) 0.000e+00
H2 0.000e+000 0.000e+000 -44.394 -44.394 0.000 H2 0.000e+00 0.000e+00 -44.394 -44.394 0.000
K 1.000e-003 K 1.000e-03
K+ 1.000e-003 9.649e-004 -3.000 -3.016 -0.016 K+ 1.000e-03 9.649e-04 -3.000 -3.016 -0.016
KOH 3.345e-011 3.346e-011 -10.476 -10.476 0.000 KOH 3.345e-11 3.346e-11 -10.476 -10.476 0.000
N(-3) 0.000e+000 N(-3) 0.000e+00
NH4+ 0.000e+000 0.000e+000 -62.898 -62.914 -0.016 NH4+ 0.000e+00 0.000e+00 -62.898 -62.914 -0.016
NH3 0.000e+000 0.000e+000 -65.158 -65.158 0.000 NH3 0.000e+00 0.000e+00 -65.158 -65.158 0.000
N(0) 1.351e-019 N(0) 1.351e-19
N2 6.755e-020 6.756e-020 -19.170 -19.170 0.000 N2 6.755e-20 6.756e-20 -19.170 -19.170 0.000
N(3) 2.119e-016 N(3) 2.119e-16
NO2- 2.119e-016 2.044e-016 -15.674 -15.689 -0.016 NO2- 2.119e-16 2.044e-16 -15.674 -15.689 -0.016
N(5) 1.000e-003 N(5) 1.000e-03
NO3- 1.000e-003 9.647e-004 -3.000 -3.016 -0.016 NO3- 1.000e-03 9.647e-04 -3.000 -3.016 -0.016
O(0) 5.112e-004 O(0) 5.112e-04
O2 2.556e-004 2.556e-004 -3.592 -3.592 0.000 O2 2.556e-04 2.556e-04 -3.592 -3.592 0.000
------------------------------Saturation indices------------------------------- ------------------------------Saturation indices-------------------------------

162
ex13b.out
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@ -46,9 +46,9 @@ Initial solution 0.
Elements Molality Moles Elements Molality Moles
Cl 1.000e-003 1.000e-003 Cl 1.000e-03 1.000e-03
N(5) 1.000e-003 1.000e-003 N(5) 1.000e-03 1.000e-03
Na 1.000e-003 1.000e-003 Na 1.000e-03 1.000e-03
----------------------------Description of solution---------------------------- ----------------------------Description of solution----------------------------
@ -57,37 +57,37 @@ Initial solution 0.
Specific Conductance (uS/cm, 25 oC) = 192 Specific Conductance (uS/cm, 25 oC) = 192
Density (g/cm3) = 0.99708 Density (g/cm3) = 0.99708
Activity of water = 1.000 Activity of water = 1.000
Ionic strength = 1.500e-003 Ionic strength = 1.500e-03
Mass of water (kg) = 1.000e+000 Mass of water (kg) = 1.000e+00
Total alkalinity (eq/kg) = 4.551e-010 Total alkalinity (eq/kg) = 4.551e-10
Total carbon (mol/kg) = 0.000e+000 Total carbon (mol/kg) = 0.000e+00
Total CO2 (mol/kg) = 0.000e+000 Total CO2 (mol/kg) = 0.000e+00
Temperature (deg C) = 25.00 Temperature (deg C) = 25.00
Electrical balance (eq) = -1.000e-003 Electrical balance (eq) = -1.000e-03
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -33.33 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -33.33
Iterations = 3 Iterations = 3
Total H = 1.110124e+002 Total H = 1.110124e+02
Total O = 5.550973e+001 Total O = 5.550973e+01
----------------------------Distribution of species---------------------------- ----------------------------Distribution of species----------------------------
Log Log Log Log Log Log
Species Molality Activity Molality Activity Gamma Species Molality Activity Molality Activity Gamma
OH- 1.046e-007 1.001e-007 -6.981 -7.000 -0.019 OH- 1.046e-07 1.001e-07 -6.981 -7.000 -0.019
H+ 1.042e-007 1.000e-007 -6.982 -7.000 -0.018 H+ 1.042e-07 1.000e-07 -6.982 -7.000 -0.018
H2O 5.551e+001 9.999e-001 1.744 -0.000 0.000 H2O 5.551e+01 9.999e-01 1.744 -0.000 0.000
Cl 1.000e-003 Cl 1.000e-03
Cl- 1.000e-003 9.576e-004 -3.000 -3.019 -0.019 Cl- 1.000e-03 9.576e-04 -3.000 -3.019 -0.019
H(0) 0.000e+000 H(0) 0.000e+00
H2 0.000e+000 0.000e+000 -44.394 -44.394 0.000 H2 0.000e+00 0.000e+00 -44.394 -44.394 0.000
N(5) 1.000e-003 N(5) 1.000e-03
NO3- 1.000e-003 9.573e-004 -3.000 -3.019 -0.019 NO3- 1.000e-03 9.573e-04 -3.000 -3.019 -0.019
Na 1.000e-003 Na 1.000e-03
Na+ 1.000e-003 9.580e-004 -3.000 -3.019 -0.019 Na+ 1.000e-03 9.580e-04 -3.000 -3.019 -0.019
NaOH 6.327e-011 6.329e-011 -10.199 -10.199 0.000 NaOH 6.327e-11 6.329e-11 -10.199 -10.199 0.000
O(0) 5.111e-004 O(0) 5.111e-04
O2 2.556e-004 2.556e-004 -3.593 -3.592 0.000 O2 2.556e-04 2.556e-04 -3.593 -3.592 0.000
------------------------------Saturation indices------------------------------- ------------------------------Saturation indices-------------------------------
@ -131,8 +131,8 @@ Initial solution 1.
Elements Molality Moles Elements Molality Moles
K 1.000e-003 1.000e-003 K 1.000e-03 1.000e-03
N(5) 1.000e-003 1.000e-003 N(5) 1.000e-03 1.000e-03
----------------------------Description of solution---------------------------- ----------------------------Description of solution----------------------------
@ -141,35 +141,35 @@ Initial solution 1.
Specific Conductance (uS/cm, 25 oC) = 141 Specific Conductance (uS/cm, 25 oC) = 141
Density (g/cm3) = 0.99707 Density (g/cm3) = 0.99707
Activity of water = 1.000 Activity of water = 1.000
Ionic strength = 1.000e-003 Ionic strength = 1.000e-03
Mass of water (kg) = 1.000e+000 Mass of water (kg) = 1.000e+00
Total alkalinity (eq/kg) = 3.350e-010 Total alkalinity (eq/kg) = 3.350e-10
Total carbon (mol/kg) = 0.000e+000 Total carbon (mol/kg) = 0.000e+00
Total CO2 (mol/kg) = 0.000e+000 Total CO2 (mol/kg) = 0.000e+00
Temperature (deg C) = 25.00 Temperature (deg C) = 25.00
Electrical balance (eq) = -3.350e-010 Electrical balance (eq) = -3.350e-10
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00
Iterations = 3 Iterations = 3
Total H = 1.110124e+002 Total H = 1.110124e+02
Total O = 5.550973e+001 Total O = 5.550973e+01
----------------------------Distribution of species---------------------------- ----------------------------Distribution of species----------------------------
Log Log Log Log Log Log
Species Molality Activity Molality Activity Gamma Species Molality Activity Molality Activity Gamma
OH- 1.038e-007 1.001e-007 -6.984 -7.000 -0.016 OH- 1.038e-07 1.001e-07 -6.984 -7.000 -0.016
H+ 1.034e-007 1.000e-007 -6.985 -7.000 -0.015 H+ 1.034e-07 1.000e-07 -6.985 -7.000 -0.015
H2O 5.551e+001 1.000e+000 1.744 -0.000 0.000 H2O 5.551e+01 1.000e+00 1.744 -0.000 0.000
H(0) 0.000e+000 H(0) 0.000e+00
H2 0.000e+000 0.000e+000 -44.394 -44.394 0.000 H2 0.000e+00 0.000e+00 -44.394 -44.394 0.000
K 1.000e-003 K 1.000e-03
K+ 1.000e-003 9.649e-004 -3.000 -3.016 -0.016 K+ 1.000e-03 9.649e-04 -3.000 -3.016 -0.016
KOH 3.345e-011 3.346e-011 -10.476 -10.476 0.000 KOH 3.345e-11 3.346e-11 -10.476 -10.476 0.000
N(5) 1.000e-003 N(5) 1.000e-03
NO3- 1.000e-003 9.647e-004 -3.000 -3.016 -0.016 NO3- 1.000e-03 9.647e-04 -3.000 -3.016 -0.016
O(0) 5.112e-004 O(0) 5.112e-04
O2 2.556e-004 2.556e-004 -3.592 -3.592 0.000 O2 2.556e-04 2.556e-04 -3.592 -3.592 0.000
------------------------------Saturation indices------------------------------- ------------------------------Saturation indices-------------------------------
@ -186,12 +186,12 @@ Beginning of initial exchange-composition calculations.
Exchange 1. Exchange 1.
X 1.000e-003 mol X 1.000e-03 mol
Equiv- Equivalent Log Equiv- Equivalent Log
Species Moles alents Fraction Gamma Species Moles alents Fraction Gamma
KX 1.000e-003 1.000e-003 1.000e+000 -0.016 KX 1.000e-03 1.000e-03 1.000e+00 -0.016
----------------------------------------- -----------------------------------------
Beginning of batch-reaction calculations. Beginning of batch-reaction calculations.
@ -204,20 +204,20 @@ Using exchange 1. Exchange assemblage after simulation 2.
-----------------------------Exchange composition------------------------------ -----------------------------Exchange composition------------------------------
X 1.000e-003 mol X 1.000e-03 mol
Equiv- Equivalent Log Equiv- Equivalent Log
Species Moles alents Fraction Gamma Species Moles alents Fraction Gamma
KX 1.000e-003 1.000e-003 1.000e+000 -0.016 KX 1.000e-03 1.000e-03 1.000e+00 -0.016
NH4X 5.032e-063 5.032e-063 5.032e-060 -0.016 NH4X 5.032e-63 5.032e-63 5.032e-60 -0.016
-----------------------------Solution composition------------------------------ -----------------------------Solution composition------------------------------
Elements Molality Moles Elements Molality Moles
K 1.000e-003 1.000e-003 K 1.000e-03 1.000e-03
N 1.000e-003 1.000e-003 N 1.000e-03 1.000e-03
----------------------------Description of solution---------------------------- ----------------------------Description of solution----------------------------
@ -226,42 +226,42 @@ X 1.000e-003 mol
Specific Conductance (uS/cm, 25 oC) = 141 Specific Conductance (uS/cm, 25 oC) = 141
Density (g/cm3) = 0.99707 Density (g/cm3) = 0.99707
Activity of water = 1.000 Activity of water = 1.000
Ionic strength = 1.000e-003 Ionic strength = 1.000e-03
Mass of water (kg) = 1.000e+000 Mass of water (kg) = 1.000e+00
Total alkalinity (eq/kg) = 3.350e-010 Total alkalinity (eq/kg) = 3.350e-10
Total carbon (mol/kg) = 0.000e+000 Total carbon (mol/kg) = 0.000e+00
Total CO2 (mol/kg) = 0.000e+000 Total CO2 (mol/kg) = 0.000e+00
Temperature (deg C) = 25.00 Temperature (deg C) = 25.00
Electrical balance (eq) = -3.350e-010 Electrical balance (eq) = -3.350e-10
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00
Iterations = 0 Iterations = 0
Total H = 1.110124e+002 Total H = 1.110124e+02
Total O = 5.550973e+001 Total O = 5.550973e+01
----------------------------Distribution of species---------------------------- ----------------------------Distribution of species----------------------------
Log Log Log Log Log Log
Species Molality Activity Molality Activity Gamma Species Molality Activity Molality Activity Gamma
OH- 1.038e-007 1.001e-007 -6.984 -7.000 -0.016 OH- 1.038e-07 1.001e-07 -6.984 -7.000 -0.016
H+ 1.034e-007 1.000e-007 -6.985 -7.000 -0.015 H+ 1.034e-07 1.000e-07 -6.985 -7.000 -0.015
H2O 5.551e+001 1.000e+000 1.744 -0.000 0.000 H2O 5.551e+01 1.000e+00 1.744 -0.000 0.000
H(0) 0.000e+000 H(0) 0.000e+00
H2 0.000e+000 0.000e+000 -44.394 -44.394 0.000 H2 0.000e+00 0.000e+00 -44.394 -44.394 0.000
K 1.000e-003 K 1.000e-03
K+ 1.000e-003 9.649e-004 -3.000 -3.016 -0.016 K+ 1.000e-03 9.649e-04 -3.000 -3.016 -0.016
KOH 3.345e-011 3.346e-011 -10.476 -10.476 0.000 KOH 3.345e-11 3.346e-11 -10.476 -10.476 0.000
N(-3) 0.000e+000 N(-3) 0.000e+00
NH4+ 0.000e+000 0.000e+000 -62.898 -62.914 -0.016 NH4+ 0.000e+00 0.000e+00 -62.898 -62.914 -0.016
NH3 0.000e+000 0.000e+000 -65.158 -65.158 0.000 NH3 0.000e+00 0.000e+00 -65.158 -65.158 0.000
N(0) 1.351e-019 N(0) 1.351e-19
N2 6.755e-020 6.756e-020 -19.170 -19.170 0.000 N2 6.755e-20 6.756e-20 -19.170 -19.170 0.000
N(3) 2.119e-016 N(3) 2.119e-16
NO2- 2.119e-016 2.044e-016 -15.674 -15.689 -0.016 NO2- 2.119e-16 2.044e-16 -15.674 -15.689 -0.016
N(5) 1.000e-003 N(5) 1.000e-03
NO3- 1.000e-003 9.647e-004 -3.000 -3.016 -0.016 NO3- 1.000e-03 9.647e-04 -3.000 -3.016 -0.016
O(0) 5.112e-004 O(0) 5.112e-04
O2 2.556e-004 2.556e-004 -3.592 -3.592 0.000 O2 2.556e-04 2.556e-04 -3.592 -3.592 0.000
------------------------------Saturation indices------------------------------- ------------------------------Saturation indices-------------------------------

80
ex13b.sel
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@ -1,41 +1,41 @@
soln dist_x Cl_mmol Na_mmol soln dist_x Cl_mmol Na_mmol
1 0.05 9.6495e-001 8.8504e-001 1 0.05 9.6495e-01 8.8504e-01
2 0.15 9.1812e-001 6.9360e-001 2 0.15 9.1812e-01 6.9360e-01
3 0.25 8.4451e-001 4.3288e-001 3 0.25 8.4451e-01 4.3288e-01
4 0.35 7.1652e-001 1.9734e-001 4 0.35 7.1652e-01 1.9734e-01
5 0.45 4.9952e-001 6.0705e-002 5 0.45 4.9952e-01 6.0705e-02
6 0.55 2.4048e-001 1.1785e-002 6 0.55 2.4048e-01 1.1785e-02
7 0.65 7.2813e-002 1.4039e-003 7 0.65 7.2813e-02 1.4039e-03
8 0.75 1.3132e-002 9.9324e-005 8 0.75 1.3132e-02 9.9324e-05
9 0.85 1.2882e-003 3.8318e-006 9 0.85 1.2882e-03 3.8318e-06
10 0.95 5.2941e-005 6.2140e-008 10 0.95 5.2941e-05 6.2140e-08
11 1.05 0.0000e+000 0.0000e+000 11 1.05 0.0000e+00 0.0000e+00
12 1.15 0.0000e+000 0.0000e+000 12 1.15 0.0000e+00 0.0000e+00
13 1.25 0.0000e+000 0.0000e+000 13 1.25 0.0000e+00 0.0000e+00
14 1.35 0.0000e+000 0.0000e+000 14 1.35 0.0000e+00 0.0000e+00
15 1.45 0.0000e+000 0.0000e+000 15 1.45 0.0000e+00 0.0000e+00
16 1.55 0.0000e+000 0.0000e+000 16 1.55 0.0000e+00 0.0000e+00
17 1.65 0.0000e+000 0.0000e+000 17 1.65 0.0000e+00 0.0000e+00
18 1.75 0.0000e+000 0.0000e+000 18 1.75 0.0000e+00 0.0000e+00
19 1.85 0.0000e+000 0.0000e+000 19 1.85 0.0000e+00 0.0000e+00
20 1.95 0.0000e+000 0.0000e+000 20 1.95 0.0000e+00 0.0000e+00
1 0.05 7.5889e-003 2.0249e-002 1 0.05 7.5889e-03 2.0249e-02
2 0.15 1.7993e-002 5.0943e-002 2 0.15 1.7993e-02 5.0943e-02
3 0.25 3.3135e-002 1.0209e-001 3 0.25 3.3135e-02 1.0209e-01
4 0.35 5.3590e-002 1.7480e-001 4 0.35 5.3590e-02 1.7480e-01
5 0.45 8.0158e-002 2.5484e-001 5 0.45 8.0158e-02 2.5484e-01
6 0.55 1.1395e-001 3.1308e-001 6 0.55 1.1395e-01 3.1308e-01
7 0.65 1.5766e-001 3.2277e-001 7 0.65 1.5766e-01 3.2277e-01
8 0.75 2.1666e-001 2.7969e-001 8 0.75 2.1666e-01 2.7969e-01
9 0.85 2.9573e-001 2.0468e-001 9 0.85 2.9573e-01 2.0468e-01
10 0.95 3.8768e-001 1.2727e-001 10 0.95 3.8768e-01 1.2727e-01
11 1.05 4.6467e-001 6.7581e-002 11 1.05 4.6467e-01 6.7581e-02
12 1.15 4.9243e-001 3.0745e-002 12 1.15 4.9243e-01 3.0745e-02
13 1.25 4.5811e-001 1.1988e-002 13 1.25 4.5811e-01 1.1988e-02
14 1.35 3.7620e-001 3.9981e-003 14 1.35 3.7620e-01 3.9981e-03
15 1.45 2.7323e-001 1.1366e-003 15 1.45 2.7323e-01 1.1366e-03
16 1.55 1.7416e-001 2.7440e-004 16 1.55 1.7416e-01 2.7440e-04
17 1.65 9.6075e-002 5.6039e-005 17 1.65 9.6075e-02 5.6039e-05
18 1.75 4.5211e-002 9.6477e-006 18 1.75 4.5211e-02 9.6477e-06
19 1.85 1.7934e-002 1.3954e-006 19 1.85 1.7934e-02 1.3954e-06
20 1.95 6.4870e-003 1.7678e-007 20 1.95 6.4870e-03 1.7678e-07

162
ex13c.out
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@ -46,9 +46,9 @@ Initial solution 0.
Elements Molality Moles Elements Molality Moles
Cl 1.000e-003 1.000e-003 Cl 1.000e-03 1.000e-03
N(5) 1.000e-003 1.000e-003 N(5) 1.000e-03 1.000e-03
Na 1.000e-003 1.000e-003 Na 1.000e-03 1.000e-03
----------------------------Description of solution---------------------------- ----------------------------Description of solution----------------------------
@ -57,37 +57,37 @@ Initial solution 0.
Specific Conductance (uS/cm, 25 oC) = 192 Specific Conductance (uS/cm, 25 oC) = 192
Density (g/cm3) = 0.99708 Density (g/cm3) = 0.99708
Activity of water = 1.000 Activity of water = 1.000
Ionic strength = 1.500e-003 Ionic strength = 1.500e-03
Mass of water (kg) = 1.000e+000 Mass of water (kg) = 1.000e+00
Total alkalinity (eq/kg) = 4.551e-010 Total alkalinity (eq/kg) = 4.551e-10
Total carbon (mol/kg) = 0.000e+000 Total carbon (mol/kg) = 0.000e+00
Total CO2 (mol/kg) = 0.000e+000 Total CO2 (mol/kg) = 0.000e+00
Temperature (deg C) = 25.00 Temperature (deg C) = 25.00
Electrical balance (eq) = -1.000e-003 Electrical balance (eq) = -1.000e-03
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -33.33 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -33.33
Iterations = 3 Iterations = 3
Total H = 1.110124e+002 Total H = 1.110124e+02
Total O = 5.550973e+001 Total O = 5.550973e+01
----------------------------Distribution of species---------------------------- ----------------------------Distribution of species----------------------------
Log Log Log Log Log Log
Species Molality Activity Molality Activity Gamma Species Molality Activity Molality Activity Gamma
OH- 1.046e-007 1.001e-007 -6.981 -7.000 -0.019 OH- 1.046e-07 1.001e-07 -6.981 -7.000 -0.019
H+ 1.042e-007 1.000e-007 -6.982 -7.000 -0.018 H+ 1.042e-07 1.000e-07 -6.982 -7.000 -0.018
H2O 5.551e+001 9.999e-001 1.744 -0.000 0.000 H2O 5.551e+01 9.999e-01 1.744 -0.000 0.000
Cl 1.000e-003 Cl 1.000e-03
Cl- 1.000e-003 9.576e-004 -3.000 -3.019 -0.019 Cl- 1.000e-03 9.576e-04 -3.000 -3.019 -0.019
H(0) 0.000e+000 H(0) 0.000e+00
H2 0.000e+000 0.000e+000 -44.394 -44.394 0.000 H2 0.000e+00 0.000e+00 -44.394 -44.394 0.000
N(5) 1.000e-003 N(5) 1.000e-03
NO3- 1.000e-003 9.573e-004 -3.000 -3.019 -0.019 NO3- 1.000e-03 9.573e-04 -3.000 -3.019 -0.019
Na 1.000e-003 Na 1.000e-03
Na+ 1.000e-003 9.580e-004 -3.000 -3.019 -0.019 Na+ 1.000e-03 9.580e-04 -3.000 -3.019 -0.019
NaOH 6.327e-011 6.329e-011 -10.199 -10.199 0.000 NaOH 6.327e-11 6.329e-11 -10.199 -10.199 0.000
O(0) 5.111e-004 O(0) 5.111e-04
O2 2.556e-004 2.556e-004 -3.593 -3.592 0.000 O2 2.556e-04 2.556e-04 -3.593 -3.592 0.000
------------------------------Saturation indices------------------------------- ------------------------------Saturation indices-------------------------------
@ -131,8 +131,8 @@ Initial solution 1.
Elements Molality Moles Elements Molality Moles
K 1.000e-003 1.000e-003 K 1.000e-03 1.000e-03
N(5) 1.000e-003 1.000e-003 N(5) 1.000e-03 1.000e-03
----------------------------Description of solution---------------------------- ----------------------------Description of solution----------------------------
@ -141,35 +141,35 @@ Initial solution 1.
Specific Conductance (uS/cm, 25 oC) = 141 Specific Conductance (uS/cm, 25 oC) = 141
Density (g/cm3) = 0.99707 Density (g/cm3) = 0.99707
Activity of water = 1.000 Activity of water = 1.000
Ionic strength = 1.000e-003 Ionic strength = 1.000e-03
Mass of water (kg) = 1.000e+000 Mass of water (kg) = 1.000e+00
Total alkalinity (eq/kg) = 3.350e-010 Total alkalinity (eq/kg) = 3.350e-10
Total carbon (mol/kg) = 0.000e+000 Total carbon (mol/kg) = 0.000e+00
Total CO2 (mol/kg) = 0.000e+000 Total CO2 (mol/kg) = 0.000e+00
Temperature (deg C) = 25.00 Temperature (deg C) = 25.00
Electrical balance (eq) = -3.350e-010 Electrical balance (eq) = -3.350e-10
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00
Iterations = 3 Iterations = 3
Total H = 1.110124e+002 Total H = 1.110124e+02
Total O = 5.550973e+001 Total O = 5.550973e+01
----------------------------Distribution of species---------------------------- ----------------------------Distribution of species----------------------------
Log Log Log Log Log Log
Species Molality Activity Molality Activity Gamma Species Molality Activity Molality Activity Gamma
OH- 1.038e-007 1.001e-007 -6.984 -7.000 -0.016 OH- 1.038e-07 1.001e-07 -6.984 -7.000 -0.016
H+ 1.034e-007 1.000e-007 -6.985 -7.000 -0.015 H+ 1.034e-07 1.000e-07 -6.985 -7.000 -0.015
H2O 5.551e+001 1.000e+000 1.744 -0.000 0.000 H2O 5.551e+01 1.000e+00 1.744 -0.000 0.000
H(0) 0.000e+000 H(0) 0.000e+00
H2 0.000e+000 0.000e+000 -44.394 -44.394 0.000 H2 0.000e+00 0.000e+00 -44.394 -44.394 0.000
K 1.000e-003 K 1.000e-03
K+ 1.000e-003 9.649e-004 -3.000 -3.016 -0.016 K+ 1.000e-03 9.649e-04 -3.000 -3.016 -0.016
KOH 3.345e-011 3.346e-011 -10.476 -10.476 0.000 KOH 3.345e-11 3.346e-11 -10.476 -10.476 0.000
N(5) 1.000e-003 N(5) 1.000e-03
NO3- 1.000e-003 9.647e-004 -3.000 -3.016 -0.016 NO3- 1.000e-03 9.647e-04 -3.000 -3.016 -0.016
O(0) 5.112e-004 O(0) 5.112e-04
O2 2.556e-004 2.556e-004 -3.592 -3.592 0.000 O2 2.556e-04 2.556e-04 -3.592 -3.592 0.000
------------------------------Saturation indices------------------------------- ------------------------------Saturation indices-------------------------------
@ -186,12 +186,12 @@ Beginning of initial exchange-composition calculations.
Exchange 1. Exchange 1.
X 1.000e-003 mol X 1.000e-03 mol
Equiv- Equivalent Log Equiv- Equivalent Log
Species Moles alents Fraction Gamma Species Moles alents Fraction Gamma
KX 1.000e-003 1.000e-003 1.000e+000 -0.016 KX 1.000e-03 1.000e-03 1.000e+00 -0.016
----------------------------------------- -----------------------------------------
Beginning of batch-reaction calculations. Beginning of batch-reaction calculations.
@ -204,20 +204,20 @@ Using exchange 1. Exchange assemblage after simulation 2.
-----------------------------Exchange composition------------------------------ -----------------------------Exchange composition------------------------------
X 1.000e-003 mol X 1.000e-03 mol
Equiv- Equivalent Log Equiv- Equivalent Log
Species Moles alents Fraction Gamma Species Moles alents Fraction Gamma
KX 1.000e-003 1.000e-003 1.000e+000 -0.016 KX 1.000e-03 1.000e-03 1.000e+00 -0.016
NH4X 5.032e-063 5.032e-063 5.032e-060 -0.016 NH4X 5.032e-63 5.032e-63 5.032e-60 -0.016
-----------------------------Solution composition------------------------------ -----------------------------Solution composition------------------------------
Elements Molality Moles Elements Molality Moles
K 1.000e-003 1.000e-003 K 1.000e-03 1.000e-03
N 1.000e-003 1.000e-003 N 1.000e-03 1.000e-03
----------------------------Description of solution---------------------------- ----------------------------Description of solution----------------------------
@ -226,42 +226,42 @@ X 1.000e-003 mol
Specific Conductance (uS/cm, 25 oC) = 141 Specific Conductance (uS/cm, 25 oC) = 141
Density (g/cm3) = 0.99707 Density (g/cm3) = 0.99707
Activity of water = 1.000 Activity of water = 1.000
Ionic strength = 1.000e-003 Ionic strength = 1.000e-03
Mass of water (kg) = 1.000e+000 Mass of water (kg) = 1.000e+00
Total alkalinity (eq/kg) = 3.350e-010 Total alkalinity (eq/kg) = 3.350e-10
Total carbon (mol/kg) = 0.000e+000 Total carbon (mol/kg) = 0.000e+00
Total CO2 (mol/kg) = 0.000e+000 Total CO2 (mol/kg) = 0.000e+00
Temperature (deg C) = 25.00 Temperature (deg C) = 25.00
Electrical balance (eq) = -3.350e-010 Electrical balance (eq) = -3.350e-10
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00
Iterations = 0 Iterations = 0
Total H = 1.110124e+002 Total H = 1.110124e+02
Total O = 5.550973e+001 Total O = 5.550973e+01
----------------------------Distribution of species---------------------------- ----------------------------Distribution of species----------------------------
Log Log Log Log Log Log
Species Molality Activity Molality Activity Gamma Species Molality Activity Molality Activity Gamma
OH- 1.038e-007 1.001e-007 -6.984 -7.000 -0.016 OH- 1.038e-07 1.001e-07 -6.984 -7.000 -0.016
H+ 1.034e-007 1.000e-007 -6.985 -7.000 -0.015 H+ 1.034e-07 1.000e-07 -6.985 -7.000 -0.015
H2O 5.551e+001 1.000e+000 1.744 -0.000 0.000 H2O 5.551e+01 1.000e+00 1.744 -0.000 0.000
H(0) 0.000e+000 H(0) 0.000e+00
H2 0.000e+000 0.000e+000 -44.394 -44.394 0.000 H2 0.000e+00 0.000e+00 -44.394 -44.394 0.000
K 1.000e-003 K 1.000e-03
K+ 1.000e-003 9.649e-004 -3.000 -3.016 -0.016 K+ 1.000e-03 9.649e-04 -3.000 -3.016 -0.016
KOH 3.345e-011 3.346e-011 -10.476 -10.476 0.000 KOH 3.345e-11 3.346e-11 -10.476 -10.476 0.000
N(-3) 0.000e+000 N(-3) 0.000e+00
NH4+ 0.000e+000 0.000e+000 -62.898 -62.914 -0.016 NH4+ 0.000e+00 0.000e+00 -62.898 -62.914 -0.016
NH3 0.000e+000 0.000e+000 -65.158 -65.158 0.000 NH3 0.000e+00 0.000e+00 -65.158 -65.158 0.000
N(0) 1.351e-019 N(0) 1.351e-19
N2 6.755e-020 6.756e-020 -19.170 -19.170 0.000 N2 6.755e-20 6.756e-20 -19.170 -19.170 0.000
N(3) 2.119e-016 N(3) 2.119e-16
NO2- 2.119e-016 2.044e-016 -15.674 -15.689 -0.016 NO2- 2.119e-16 2.044e-16 -15.674 -15.689 -0.016
N(5) 1.000e-003 N(5) 1.000e-03
NO3- 1.000e-003 9.647e-004 -3.000 -3.016 -0.016 NO3- 1.000e-03 9.647e-04 -3.000 -3.016 -0.016
O(0) 5.112e-004 O(0) 5.112e-04
O2 2.556e-004 2.556e-004 -3.592 -3.592 0.000 O2 2.556e-04 2.556e-04 -3.592 -3.592 0.000
------------------------------Saturation indices------------------------------- ------------------------------Saturation indices-------------------------------

80
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@ -1,41 +1,41 @@
soln dist_x Cl_mmol Na_mmol soln dist_x Cl_mmol Na_mmol
1 0.05 9.7683e-001 8.8829e-001 1 0.05 9.7683e-01 8.8829e-01
2 0.15 9.4255e-001 6.9066e-001 2 0.15 9.4255e-01 6.9066e-01
3 0.25 8.7253e-001 4.2503e-001 3 0.25 8.7253e-01 4.2503e-01
4 0.35 7.2600e-001 1.9091e-001 4 0.35 7.2600e-01 1.9091e-01
5 0.45 4.8246e-001 5.8021e-002 5 0.45 4.8246e-01 5.8021e-02
6 0.55 2.2239e-001 1.1177e-002 6 0.55 2.2239e-01 1.1177e-02
7 0.65 6.5489e-002 1.3256e-003 7 0.65 6.5489e-02 1.3256e-03
8 0.75 1.1639e-002 9.3569e-005 8 0.75 1.1639e-02 9.3569e-05
9 0.85 1.1350e-003 3.6065e-006 9 0.85 1.1350e-03 3.6065e-06
10 0.95 4.6646e-005 5.8485e-008 10 0.95 4.6646e-05 5.8485e-08
11 1.05 0.0000e+000 0.0000e+000 11 1.05 0.0000e+00 0.0000e+00
12 1.15 0.0000e+000 0.0000e+000 12 1.15 0.0000e+00 0.0000e+00
13 1.25 0.0000e+000 0.0000e+000 13 1.25 0.0000e+00 0.0000e+00
14 1.35 0.0000e+000 0.0000e+000 14 1.35 0.0000e+00 0.0000e+00
15 1.45 0.0000e+000 0.0000e+000 15 1.45 0.0000e+00 0.0000e+00
16 1.55 0.0000e+000 0.0000e+000 16 1.55 0.0000e+00 0.0000e+00
17 1.65 0.0000e+000 0.0000e+000 17 1.65 0.0000e+00 0.0000e+00
18 1.75 0.0000e+000 0.0000e+000 18 1.75 0.0000e+00 0.0000e+00
19 1.85 0.0000e+000 0.0000e+000 19 1.85 0.0000e+00 0.0000e+00
20 1.95 0.0000e+000 0.0000e+000 20 1.95 0.0000e+00 0.0000e+00
1 0.05 4.7101e-003 1.6916e-002 1 0.05 4.7101e-03 1.6916e-02
2 0.15 1.0234e-002 4.9729e-002 2 0.15 1.0234e-02 4.9729e-02
3 0.25 1.8109e-002 1.0883e-001 3 0.25 1.8109e-02 1.0883e-01
4 0.35 2.9565e-002 1.9194e-001 4 0.35 2.9565e-02 1.9194e-01
5 0.45 4.7408e-002 2.7841e-001 5 0.45 4.7408e-02 2.7841e-01
6 0.55 7.7191e-002 3.3492e-001 6 0.55 7.7191e-02 3.3492e-01
7 0.65 1.2832e-001 3.3632e-001 7 0.65 1.2832e-01 3.3632e-01
8 0.75 2.1109e-001 2.8375e-001 8 0.75 2.1109e-01 2.8375e-01
9 0.85 3.2572e-001 2.0251e-001 9 0.85 3.2572e-01 2.0251e-01
10 0.95 4.4908e-001 1.2304e-001 10 0.95 4.4908e-01 1.2304e-01
11 1.05 5.3819e-001 6.3977e-002 11 1.05 5.3819e-01 6.3977e-02
12 1.15 5.5716e-001 2.8554e-002 12 1.15 5.5716e-01 2.8554e-02
13 1.25 5.0158e-001 1.0943e-002 13 1.25 5.0158e-01 1.0943e-02
14 1.35 3.9581e-001 3.5935e-003 14 1.35 3.9581e-01 3.5935e-03
15 1.45 2.7424e-001 1.0078e-003 15 1.45 2.7424e-01 1.0078e-03
16 1.55 1.6586e-001 2.4047e-004 16 1.55 1.6586e-01 2.4047e-04
17 1.65 8.6688e-002 4.8621e-005 17 1.65 8.6688e-02 4.8621e-05
18 1.75 3.8743e-002 8.3007e-006 18 1.75 3.8743e-02 8.3007e-06
19 1.85 1.4669e-002 1.1922e-006 19 1.85 1.4669e-02 1.1922e-06
20 1.95 5.0940e-003 1.5016e-007 20 1.95 5.0940e-03 1.5016e-07

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@ -1,202 +1,202 @@
step m_Ca m_Mg m_Na umol_As pH mmol_sorbedAs step m_Ca m_Mg m_Na umol_As pH mmol_sorbedAs
1 4.6428e-001 1.6167e-001 5.4020e+000 2.5000e-002 5.3496e+000 0.0000e+000 1 4.6428e-01 1.6167e-01 5.4020e+00 2.5000e-02 5.3496e+00 0.0000e+00
1 5.3624e-004 3.7904e-004 1.0442e-001 1.7500e-004 7.0231e+000 9.7684e-001 1 5.3624e-04 3.7904e-04 1.0442e-01 1.7500e-04 7.0231e+00 9.7684e-01
2 3.7590e-005 2.5680e-005 2.6099e-002 1.5914e-002 8.4899e+000 9.7682e-001 2 3.7590e-05 2.5680e-05 2.6099e-02 1.5914e-02 8.4899e+00 9.7682e-01
3 1.6262e-005 1.0214e-005 1.4868e-002 1.6914e-001 9.1080e+000 9.7665e-001 3 1.6262e-05 1.0214e-05 1.4868e-02 1.6914e-01 9.1080e+00 9.7665e-01
4 1.3697e-005 8.3470e-006 1.2537e-002 3.2054e-001 9.2763e+000 9.7633e-001 4 1.3697e-05 8.3470e-06 1.2537e-02 3.2054e-01 9.2763e+00 9.7633e-01
5 1.3183e-005 7.9742e-006 1.1698e-002 3.8283e-001 9.3229e+000 9.7595e-001 5 1.3183e-05 7.9742e-06 1.1698e-02 3.8283e-01 9.3229e+00 9.7595e-01
6 1.3211e-005 7.9967e-006 1.1297e-002 3.9106e-001 9.3277e+000 9.7556e-001 6 1.3211e-05 7.9967e-06 1.1297e-02 3.9106e-01 9.3277e+00 9.7556e-01
7 1.3443e-005 8.1685e-006 1.1061e-002 3.7601e-001 9.3165e+000 9.7518e-001 7 1.3443e-05 8.1685e-06 1.1061e-02 3.7601e-01 9.3165e+00 9.7518e-01
8 1.3768e-005 8.4077e-006 1.0896e-002 3.5282e-001 9.2988e+000 9.7483e-001 8 1.3768e-05 8.4077e-06 1.0896e-02 3.5282e-01 9.2988e+00 9.7483e-01
9 1.4141e-005 8.6818e-006 1.0765e-002 3.2785e-001 9.2788e+000 9.7450e-001 9 1.4141e-05 8.6818e-06 1.0765e-02 3.2785e-01 9.2788e+00 9.7450e-01
10 1.4543e-005 8.9774e-006 1.0651e-002 3.0353e-001 9.2578e+000 9.7420e-001 10 1.4543e-05 8.9774e-06 1.0651e-02 3.0353e-01 9.2578e+00 9.7420e-01
11 1.4966e-005 9.2887e-006 1.0549e-002 2.8068e-001 9.2367e+000 9.7392e-001 11 1.4966e-05 9.2887e-06 1.0549e-02 2.8068e-01 9.2367e+00 9.7392e-01
12 1.5409e-005 9.6139e-006 1.0453e-002 2.5951e-001 9.2157e+000 9.7366e-001 12 1.5409e-05 9.6139e-06 1.0453e-02 2.5951e-01 9.2157e+00 9.7366e-01
13 1.5869e-005 9.9523e-006 1.0364e-002 2.3997e-001 9.1948e+000 9.7342e-001 13 1.5869e-05 9.9523e-06 1.0364e-02 2.3997e-01 9.1948e+00 9.7342e-01
14 1.6348e-005 1.0304e-005 1.0280e-002 2.2197e-001 9.1741e+000 9.7319e-001 14 1.6348e-05 1.0304e-05 1.0280e-02 2.2197e-01 9.1741e+00 9.7319e-01
15 1.6846e-005 1.0671e-005 1.0200e-002 2.0537e-001 9.1536e+000 9.7299e-001 15 1.6846e-05 1.0671e-05 1.0200e-02 2.0537e-01 9.1536e+00 9.7299e-01
16 1.7365e-005 1.1052e-005 1.0124e-002 1.9005e-001 9.1332e+000 9.7280e-001 16 1.7365e-05 1.1052e-05 1.0124e-02 1.9005e-01 9.1332e+00 9.7280e-01
17 1.7905e-005 1.1449e-005 1.0052e-002 1.7590e-001 9.1130e+000 9.7262e-001 17 1.7905e-05 1.1449e-05 1.0052e-02 1.7590e-01 9.1130e+00 9.7262e-01
18 1.8468e-005 1.1863e-005 9.9830e-003 1.6282e-001 9.0929e+000 9.7246e-001 18 1.8468e-05 1.1863e-05 9.9830e-03 1.6282e-01 9.0929e+00 9.7246e-01
19 1.9055e-005 1.2295e-005 9.9173e-003 1.5072e-001 9.0728e+000 9.7231e-001 19 1.9055e-05 1.2295e-05 9.9173e-03 1.5072e-01 9.0728e+00 9.7231e-01
20 1.9668e-005 1.2746e-005 9.8544e-003 1.3951e-001 9.0528e+000 9.7217e-001 20 1.9668e-05 1.2746e-05 9.8544e-03 1.3951e-01 9.0528e+00 9.7217e-01
21 2.0309e-005 1.3217e-005 9.7942e-003 1.2913e-001 9.0329e+000 9.7204e-001 21 2.0309e-05 1.3217e-05 9.7942e-03 1.2913e-01 9.0329e+00 9.7204e-01
22 2.0979e-005 1.3710e-005 9.7365e-003 1.1950e-001 9.0130e+000 9.7192e-001 22 2.0979e-05 1.3710e-05 9.7365e-03 1.1950e-01 9.0130e+00 9.7192e-01
23 2.1681e-005 1.4225e-005 9.6810e-003 1.1057e-001 8.9931e+000 9.7181e-001 23 2.1681e-05 1.4225e-05 9.6810e-03 1.1057e-01 8.9931e+00 9.7181e-01
24 2.2415e-005 1.4765e-005 9.6277e-003 1.0228e-001 8.9732e+000 9.7171e-001 24 2.2415e-05 1.4765e-05 9.6277e-03 1.0228e-01 8.9732e+00 9.7171e-01
25 2.3184e-005 1.5331e-005 9.5764e-003 9.4585e-002 8.9533e+000 9.7161e-001 25 2.3184e-05 1.5331e-05 9.5764e-03 9.4585e-02 8.9533e+00 9.7161e-01
26 2.3991e-005 1.5924e-005 9.5270e-003 8.7442e-002 8.9334e+000 9.7153e-001 26 2.3991e-05 1.5924e-05 9.5270e-03 8.7442e-02 8.9334e+00 9.7153e-01
27 2.4837e-005 1.6547e-005 9.4793e-003 8.0810e-002 8.9134e+000 9.7145e-001 27 2.4837e-05 1.6547e-05 9.4793e-03 8.0810e-02 8.9134e+00 9.7145e-01
28 2.5726e-005 1.7201e-005 9.4332e-003 7.4651e-002 8.8934e+000 9.7137e-001 28 2.5726e-05 1.7201e-05 9.4332e-03 7.4651e-02 8.8934e+00 9.7137e-01
29 2.6661e-005 1.7888e-005 9.3885e-003 6.8931e-002 8.8733e+000 9.7130e-001 29 2.6661e-05 1.7888e-05 9.3885e-03 6.8931e-02 8.8733e+00 9.7130e-01
30 2.7643e-005 1.8610e-005 9.3453e-003 6.3619e-002 8.8532e+000 9.7124e-001 30 2.7643e-05 1.8610e-05 9.3453e-03 6.3619e-02 8.8532e+00 9.7124e-01
31 2.8677e-005 1.9370e-005 9.3033e-003 5.8687e-002 8.8330e+000 9.7118e-001 31 2.8677e-05 1.9370e-05 9.3033e-03 5.8687e-02 8.8330e+00 9.7118e-01
32 2.9765e-005 2.0171e-005 9.2626e-003 5.4108e-002 8.8127e+000 9.7113e-001 32 2.9765e-05 2.0171e-05 9.2626e-03 5.4108e-02 8.8127e+00 9.7113e-01
33 3.0913e-005 2.1014e-005 9.2229e-003 4.9856e-002 8.7923e+000 9.7108e-001 33 3.0913e-05 2.1014e-05 9.2229e-03 4.9856e-02 8.7923e+00 9.7108e-01
34 3.2123e-005 2.1904e-005 9.1843e-003 4.5911e-002 8.7717e+000 9.7103e-001 34 3.2123e-05 2.1904e-05 9.1843e-03 4.5911e-02 8.7717e+00 9.7103e-01
35 3.3399e-005 2.2843e-005 9.1465e-003 4.2251e-002 8.7511e+000 9.7099e-001 35 3.3399e-05 2.2843e-05 9.1465e-03 4.2251e-02 8.7511e+00 9.7099e-01
36 3.4748e-005 2.3835e-005 9.1096e-003 3.8856e-002 8.7303e+000 9.7095e-001 36 3.4748e-05 2.3835e-05 9.1096e-03 3.8856e-02 8.7303e+00 9.7095e-01
37 3.6174e-005 2.4883e-005 9.0735e-003 3.5709e-002 8.7094e+000 9.7091e-001 37 3.6174e-05 2.4883e-05 9.0735e-03 3.5709e-02 8.7094e+00 9.7091e-01
38 3.7681e-005 2.5992e-005 9.0380e-003 3.2792e-002 8.6883e+000 9.7088e-001 38 3.7681e-05 2.5992e-05 9.0380e-03 3.2792e-02 8.6883e+00 9.7088e-01
39 3.9277e-005 2.7166e-005 9.0031e-003 3.0090e-002 8.6671e+000 9.7085e-001 39 3.9277e-05 2.7166e-05 9.0031e-03 3.0090e-02 8.6671e+00 9.7085e-01
40 4.0968e-005 2.8409e-005 8.9688e-003 2.7589e-002 8.6457e+000 9.7082e-001 40 4.0968e-05 2.8409e-05 8.9688e-03 2.7589e-02 8.6457e+00 9.7082e-01
41 4.2761e-005 2.9728e-005 8.9348e-003 2.5274e-002 8.6241e+000 9.7080e-001 41 4.2761e-05 2.9728e-05 8.9348e-03 2.5274e-02 8.6241e+00 9.7080e-01
42 4.4663e-005 3.1127e-005 8.9012e-003 2.3134e-002 8.6024e+000 9.7077e-001 42 4.4663e-05 3.1127e-05 8.9012e-03 2.3134e-02 8.6024e+00 9.7077e-01
43 4.6683e-005 3.2612e-005 8.8679e-003 2.1156e-002 8.5805e+000 9.7075e-001 43 4.6683e-05 3.2612e-05 8.8679e-03 2.1156e-02 8.5805e+00 9.7075e-01
44 4.8830e-005 3.4191e-005 8.8347e-003 1.9330e-002 8.5583e+000 9.7073e-001 44 4.8830e-05 3.4191e-05 8.8347e-03 1.9330e-02 8.5583e+00 9.7073e-01
45 5.1113e-005 3.5870e-005 8.8016e-003 1.7644e-002 8.5360e+000 9.7072e-001 45 5.1113e-05 3.5870e-05 8.8016e-03 1.7644e-02 8.5360e+00 9.7072e-01
46 5.3544e-005 3.7658e-005 8.7686e-003 1.6090e-002 8.5134e+000 9.7070e-001 46 5.3544e-05 3.7658e-05 8.7686e-03 1.6090e-02 8.5134e+00 9.7070e-01
47 5.6134e-005 3.9563e-005 8.7354e-003 1.4658e-002 8.4906e+000 9.7069e-001 47 5.6134e-05 3.9563e-05 8.7354e-03 1.4658e-02 8.4906e+00 9.7069e-01
48 5.8895e-005 4.1594e-005 8.7020e-003 1.3340e-002 8.4676e+000 9.7067e-001 48 5.8895e-05 4.1594e-05 8.7020e-03 1.3340e-02 8.4676e+00 9.7067e-01
49 6.1843e-005 4.3761e-005 8.6684e-003 1.2128e-002 8.4443e+000 9.7066e-001 49 6.1843e-05 4.3761e-05 8.6684e-03 1.2128e-02 8.4443e+00 9.7066e-01
50 6.4991e-005 4.6077e-005 8.6343e-003 1.1014e-002 8.4208e+000 9.7065e-001 50 6.4991e-05 4.6077e-05 8.6343e-03 1.1014e-02 8.4208e+00 9.7065e-01
51 6.8357e-005 4.8553e-005 8.5997e-003 9.9912e-003 8.3970e+000 9.7064e-001 51 6.8357e-05 4.8553e-05 8.5997e-03 9.9912e-03 8.3970e+00 9.7064e-01
52 7.1959e-005 5.1202e-005 8.5645e-003 9.0536e-003 8.3730e+000 9.7063e-001 52 7.1959e-05 5.1202e-05 8.5645e-03 9.0536e-03 8.3730e+00 9.7063e-01
53 7.5817e-005 5.4039e-005 8.5285e-003 8.1948e-003 8.3487e+000 9.7062e-001 53 7.5817e-05 5.4039e-05 8.5285e-03 8.1948e-03 8.3487e+00 9.7062e-01
54 7.9952e-005 5.7081e-005 8.4916e-003 7.4090e-003 8.3241e+000 9.7061e-001 54 7.9952e-05 5.7081e-05 8.4916e-03 7.4090e-03 8.3241e+00 9.7061e-01
55 8.4389e-005 6.0344e-005 8.4536e-003 6.6909e-003 8.2992e+000 9.7061e-001 55 8.4389e-05 6.0344e-05 8.4536e-03 6.6909e-03 8.2992e+00 9.7061e-01
56 8.9153e-005 6.3848e-005 8.4144e-003 6.0354e-003 8.2740e+000 9.7060e-001 56 8.9153e-05 6.3848e-05 8.4144e-03 6.0354e-03 8.2740e+00 9.7060e-01
57 9.4273e-005 6.7614e-005 8.3739e-003 5.4378e-003 8.2486e+000 9.7060e-001 57 9.4273e-05 6.7614e-05 8.3739e-03 5.4378e-03 8.2486e+00 9.7060e-01
58 9.9780e-005 7.1665e-005 8.3317e-003 4.8938e-003 8.2229e+000 9.7059e-001 58 9.9780e-05 7.1665e-05 8.3317e-03 4.8938e-03 8.2229e+00 9.7059e-01
59 1.0571e-004 7.6025e-005 8.2879e-003 4.3991e-003 8.1968e+000 9.7059e-001 59 1.0571e-04 7.6025e-05 8.2879e-03 4.3991e-03 8.1968e+00 9.7059e-01
60 1.1210e-004 8.0724e-005 8.2421e-003 3.9499e-003 8.1705e+000 9.7058e-001 60 1.1210e-04 8.0724e-05 8.2421e-03 3.9499e-03 8.1705e+00 9.7058e-01
61 1.1898e-004 8.5790e-005 8.1941e-003 3.5426e-003 8.1439e+000 9.7058e-001 61 1.1898e-04 8.5790e-05 8.1941e-03 3.5426e-03 8.1439e+00 9.7058e-01
62 1.2642e-004 9.1256e-005 8.1437e-003 3.1739e-003 8.1169e+000 9.7058e-001 62 1.2642e-04 9.1256e-05 8.1437e-03 3.1739e-03 8.1169e+00 9.7058e-01
63 1.3444e-004 9.7158e-005 8.0906e-003 2.8406e-003 8.0897e+000 9.7057e-001 63 1.3444e-04 9.7158e-05 8.0906e-03 2.8406e-03 8.0897e+00 9.7057e-01
64 1.4311e-004 1.0354e-004 8.0346e-003 2.5397e-003 8.0622e+000 9.7057e-001 64 1.4311e-04 1.0354e-04 8.0346e-03 2.5397e-03 8.0622e+00 9.7057e-01
65 1.5248e-004 1.1043e-004 7.9753e-003 2.2685e-003 8.0344e+000 9.7057e-001 65 1.5248e-04 1.1043e-04 7.9753e-03 2.2685e-03 8.0344e+00 9.7057e-01
66 1.6262e-004 1.1789e-004 7.9125e-003 2.0245e-003 8.0063e+000 9.7057e-001 66 1.6262e-04 1.1789e-04 7.9125e-03 2.0245e-03 8.0063e+00 9.7057e-01
67 1.7332e-004 1.2626e-004 7.8449e-003 1.8040e-003 7.9778e+000 9.7056e-001 67 1.7332e-04 1.2626e-04 7.8449e-03 1.8040e-03 7.9778e+00 9.7056e-01
68 1.8480e-004 1.3546e-004 7.7731e-003 1.6057e-003 7.9490e+000 9.7056e-001 68 1.8480e-04 1.3546e-04 7.7731e-03 1.6057e-03 7.9490e+00 9.7056e-01
69 1.9723e-004 1.4544e-004 7.6971e-003 1.4283e-003 7.9199e+000 9.7056e-001 69 1.9723e-04 1.4544e-04 7.6971e-03 1.4283e-03 7.9199e+00 9.7056e-01
70 2.1069e-004 1.5626e-004 7.6162e-003 1.2699e-003 7.8906e+000 9.7056e-001 70 2.1069e-04 1.5626e-04 7.6162e-03 1.2699e-03 7.8906e+00 9.7056e-01
71 2.2524e-004 1.6799e-004 7.5299e-003 1.1288e-003 7.8611e+000 9.7056e-001 71 2.2524e-04 1.6799e-04 7.5299e-03 1.1288e-03 7.8611e+00 9.7056e-01
72 2.4097e-004 1.8068e-004 7.4380e-003 1.0034e-003 7.8315e+000 9.7056e-001 72 2.4097e-04 1.8068e-04 7.4380e-03 1.0034e-03 7.8315e+00 9.7056e-01
73 2.5797e-004 1.9443e-004 7.3399e-003 8.9191e-004 7.8019e+000 9.7056e-001 73 2.5797e-04 1.9443e-04 7.3399e-03 8.9191e-04 7.8019e+00 9.7056e-01
74 2.7633e-004 2.0930e-004 7.2353e-003 7.9309e-004 7.7721e+000 9.7056e-001 74 2.7633e-04 2.0930e-04 7.2353e-03 7.9309e-04 7.7721e+00 9.7056e-01
75 2.9614e-004 2.2537e-004 7.1238e-003 7.0558e-004 7.7424e+000 9.7056e-001 75 2.9614e-04 2.2537e-04 7.1238e-03 7.0558e-04 7.7424e+00 9.7056e-01
76 3.1749e-004 2.4272e-004 7.0050e-003 6.2820e-004 7.7127e+000 9.7056e-001 76 3.1749e-04 2.4272e-04 7.0050e-03 6.2820e-04 7.7127e+00 9.7056e-01
77 3.4047e-004 2.6142e-004 6.8787e-003 5.5986e-004 7.6831e+000 9.7055e-001 77 3.4047e-04 2.6142e-04 6.8787e-03 5.5986e-04 7.6831e+00 9.7055e-01
78 3.6515e-004 2.8154e-004 6.7444e-003 4.9958e-004 7.6537e+000 9.7055e-001 78 3.6515e-04 2.8154e-04 6.7444e-03 4.9958e-04 7.6537e+00 9.7055e-01
79 3.9161e-004 3.0315e-004 6.6021e-003 4.4647e-004 7.6245e+000 9.7055e-001 79 3.9161e-04 3.0315e-04 6.6021e-03 4.4647e-04 7.6245e+00 9.7055e-01
80 4.1992e-004 3.2630e-004 6.4514e-003 3.9973e-004 7.5955e+000 9.7055e-001 80 4.1992e-04 3.2630e-04 6.4514e-03 3.9973e-04 7.5955e+00 9.7055e-01
81 4.5012e-004 3.5102e-004 6.2925e-003 3.5863e-004 7.5669e+000 9.7055e-001 81 4.5012e-04 3.5102e-04 6.2925e-03 3.5863e-04 7.5669e+00 9.7055e-01
82 4.8224e-004 3.7736e-004 6.1252e-003 3.2253e-004 7.5387e+000 9.7055e-001 82 4.8224e-04 3.7736e-04 6.1252e-03 3.2253e-04 7.5387e+00 9.7055e-01
83 5.1628e-004 4.0530e-004 5.9497e-003 2.9083e-004 7.5111e+000 9.7055e-001 83 5.1628e-04 4.0530e-04 5.9497e-03 2.9083e-04 7.5111e+00 9.7055e-01
84 5.5224e-004 4.3485e-004 5.7663e-003 2.6302e-004 7.4840e+000 9.7055e-001 84 5.5224e-04 4.3485e-04 5.7663e-03 2.6302e-04 7.4840e+00 9.7055e-01
85 5.9006e-004 4.6596e-004 5.5755e-003 2.3863e-004 7.4575e+000 9.7055e-001 85 5.9006e-04 4.6596e-04 5.5755e-03 2.3863e-04 7.4575e+00 9.7055e-01
86 6.2966e-004 4.9856e-004 5.3777e-003 2.1724e-004 7.4317e+000 9.7055e-001 86 6.2966e-04 4.9856e-04 5.3777e-03 2.1724e-04 7.4317e+00 9.7055e-01
87 6.7092e-004 5.3256e-004 5.1736e-003 1.9850e-004 7.4068e+000 9.7055e-001 87 6.7092e-04 5.3256e-04 5.1736e-03 1.9850e-04 7.4068e+00 9.7055e-01
88 7.1371e-004 5.6784e-004 4.9642e-003 1.8207e-004 7.3826e+000 9.7055e-001 88 7.1371e-04 5.6784e-04 4.9642e-03 1.8207e-04 7.3826e+00 9.7055e-01
89 7.5783e-004 6.0424e-004 4.7503e-003 1.6767e-004 7.3594e+000 9.7055e-001 89 7.5783e-04 6.0424e-04 4.7503e-03 1.6767e-04 7.3594e+00 9.7055e-01
90 8.0307e-004 6.4159e-004 4.5331e-003 1.5504e-004 7.3371e+000 9.7055e-001 90 8.0307e-04 6.4159e-04 4.5331e-03 1.5504e-04 7.3371e+00 9.7055e-01
91 8.4920e-004 6.7967e-004 4.3138e-003 1.4396e-004 7.3158e+000 9.7055e-001 91 8.4920e-04 6.7967e-04 4.3138e-03 1.4396e-04 7.3158e+00 9.7055e-01
92 8.9594e-004 7.1827e-004 4.0935e-003 1.3424e-004 7.2955e+000 9.7055e-001 92 8.9594e-04 7.1827e-04 4.0935e-03 1.3424e-04 7.2955e+00 9.7055e-01
93 9.4302e-004 7.5715e-004 3.8736e-003 1.2571e-004 7.2762e+000 9.7055e-001 93 9.4302e-04 7.5715e-04 3.8736e-03 1.2571e-04 7.2762e+00 9.7055e-01
94 9.9015e-004 7.9606e-004 3.6553e-003 1.1821e-004 7.2580e+000 9.7055e-001 94 9.9015e-04 7.9606e-04 3.6553e-03 1.1821e-04 7.2580e+00 9.7055e-01
95 1.0370e-003 8.3475e-004 3.4400e-003 1.1162e-004 7.2408e+000 9.7055e-001 95 1.0370e-03 8.3475e-04 3.4400e-03 1.1162e-04 7.2408e+00 9.7055e-01
96 1.0834e-003 8.7299e-004 3.2287e-003 1.0582e-004 7.2247e+000 9.7055e-001 96 1.0834e-03 8.7299e-04 3.2287e-03 1.0582e-04 7.2247e+00 9.7055e-01
97 1.1289e-003 9.1055e-004 3.0227e-003 1.0071e-004 7.2096e+000 9.7055e-001 97 1.1289e-03 9.1055e-04 3.0227e-03 1.0071e-04 7.2096e+00 9.7055e-01
98 1.1734e-003 9.4720e-004 2.8229e-003 9.6214e-005 7.1956e+000 9.7055e-001 98 1.1734e-03 9.4720e-04 2.8229e-03 9.6214e-05 7.1956e+00 9.7055e-01
99 1.2167e-003 9.8276e-004 2.6302e-003 9.2244e-005 7.1825e+000 9.7055e-001 99 1.2167e-03 9.8276e-04 2.6302e-03 9.2244e-05 7.1825e+00 9.7055e-01
100 1.2584e-003 1.0171e-003 2.4453e-003 8.8738e-005 7.1704e+000 9.7055e-001 100 1.2584e-03 1.0171e-03 2.4453e-03 8.8738e-05 7.1704e+00 9.7055e-01
101 1.2985e-003 1.0500e-003 2.2688e-003 8.5640e-005 7.1591e+000 9.7055e-001 101 1.2985e-03 1.0500e-03 2.2688e-03 8.5640e-05 7.1591e+00 9.7055e-01
102 1.3369e-003 1.0814e-003 2.1010e-003 8.2900e-005 7.1488e+000 9.7055e-001 102 1.3369e-03 1.0814e-03 2.1010e-03 8.2900e-05 7.1488e+00 9.7055e-01
103 1.3733e-003 1.1112e-003 1.9424e-003 8.0474e-005 7.1393e+000 9.7055e-001 103 1.3733e-03 1.1112e-03 1.9424e-03 8.0474e-05 7.1393e+00 9.7055e-01
104 1.4079e-003 1.1393e-003 1.7931e-003 7.8324e-005 7.1305e+000 9.7055e-001 104 1.4079e-03 1.1393e-03 1.7931e-03 7.8324e-05 7.1305e+00 9.7055e-01
105 1.4404e-003 1.1658e-003 1.6530e-003 7.6418e-005 7.1225e+000 9.7055e-001 105 1.4404e-03 1.1658e-03 1.6530e-03 7.6418e-05 7.1225e+00 9.7055e-01
106 1.4710e-003 1.1906e-003 1.5221e-003 7.4726e-005 7.1152e+000 9.7055e-001 106 1.4710e-03 1.1906e-03 1.5221e-03 7.4726e-05 7.1152e+00 9.7055e-01
107 1.4996e-003 1.2137e-003 1.4003e-003 7.3222e-005 7.1085e+000 9.7055e-001 107 1.4996e-03 1.2137e-03 1.4003e-03 7.3222e-05 7.1085e+00 9.7055e-01
108 1.5263e-003 1.2352e-003 1.2872e-003 7.1886e-005 7.1024e+000 9.7055e-001 108 1.5263e-03 1.2352e-03 1.2872e-03 7.1886e-05 7.1024e+00 9.7055e-01
109 1.5511e-003 1.2551e-003 1.1827e-003 7.0697e-005 7.0968e+000 9.7055e-001 109 1.5511e-03 1.2551e-03 1.1827e-03 7.0697e-05 7.0968e+00 9.7055e-01
110 1.5740e-003 1.2734e-003 1.0862e-003 6.9639e-005 7.0918e+000 9.7055e-001 110 1.5740e-03 1.2734e-03 1.0862e-03 6.9639e-05 7.0918e+00 9.7055e-01
111 1.5953e-003 1.2903e-003 9.9740e-004 6.8697e-005 7.0872e+000 9.7055e-001 111 1.5953e-03 1.2903e-03 9.9740e-04 6.8697e-05 7.0872e+00 9.7055e-01
112 1.6149e-003 1.3058e-003 9.1591e-004 6.7857e-005 7.0831e+000 9.7055e-001 112 1.6149e-03 1.3058e-03 9.1591e-04 6.7857e-05 7.0831e+00 9.7055e-01
113 1.6329e-003 1.3199e-003 8.4127e-004 6.7108e-005 7.0793e+000 9.7055e-001 113 1.6329e-03 1.3199e-03 8.4127e-04 6.7108e-05 7.0793e+00 9.7055e-01
114 1.6495e-003 1.3329e-003 7.7304e-004 6.6440e-005 7.0759e+000 9.7055e-001 114 1.6495e-03 1.3329e-03 7.7304e-04 6.6440e-05 7.0759e+00 9.7055e-01
115 1.6646e-003 1.3446e-003 7.1078e-004 6.5843e-005 7.0729e+000 9.7055e-001 115 1.6646e-03 1.3446e-03 7.1078e-04 6.5843e-05 7.0729e+00 9.7055e-01
116 1.6785e-003 1.3553e-003 6.5406e-004 6.5311e-005 7.0701e+000 9.7055e-001 116 1.6785e-03 1.3553e-03 6.5406e-04 6.5311e-05 7.0701e+00 9.7055e-01
117 1.6913e-003 1.3650e-003 6.0247e-004 6.4836e-005 7.0676e+000 9.7055e-001 117 1.6913e-03 1.3650e-03 6.0247e-04 6.4836e-05 7.0676e+00 9.7055e-01
118 1.7029e-003 1.3737e-003 5.5561e-004 6.4411e-005 7.0653e+000 9.7055e-001 118 1.7029e-03 1.3737e-03 5.5561e-04 6.4411e-05 7.0653e+00 9.7055e-01
119 1.7135e-003 1.3816e-003 5.1310e-004 6.4031e-005 7.0633e+000 9.7055e-001 119 1.7135e-03 1.3816e-03 5.1310e-04 6.4031e-05 7.0633e+00 9.7055e-01
120 1.7231e-003 1.3887e-003 4.7457e-004 6.3692e-005 7.0615e+000 9.7055e-001 120 1.7231e-03 1.3887e-03 4.7457e-04 6.3692e-05 7.0615e+00 9.7055e-01
121 1.7319e-003 1.3951e-003 4.3969e-004 6.3389e-005 7.0598e+000 9.7055e-001 121 1.7319e-03 1.3951e-03 4.3969e-04 6.3389e-05 7.0598e+00 9.7055e-01
122 1.7400e-003 1.4009e-003 4.0815e-004 6.3117e-005 7.0583e+000 9.7055e-001 122 1.7400e-03 1.4009e-03 4.0815e-04 6.3117e-05 7.0583e+00 9.7055e-01
123 1.7473e-003 1.4060e-003 3.7964e-004 6.2875e-005 7.0570e+000 9.7055e-001 123 1.7473e-03 1.4060e-03 3.7964e-04 6.2875e-05 7.0570e+00 9.7055e-01
124 1.7539e-003 1.4106e-003 3.5390e-004 6.2658e-005 7.0558e+000 9.7055e-001 124 1.7539e-03 1.4106e-03 3.5390e-04 6.2658e-05 7.0558e+00 9.7055e-01
125 1.7600e-003 1.4147e-003 3.3067e-004 6.2464e-005 7.0547e+000 9.7055e-001 125 1.7600e-03 1.4147e-03 3.3067e-04 6.2464e-05 7.0547e+00 9.7055e-01
126 1.7655e-003 1.4184e-003 3.0971e-004 6.2290e-005 7.0537e+000 9.7055e-001 126 1.7655e-03 1.4184e-03 3.0971e-04 6.2290e-05 7.0537e+00 9.7055e-01
127 1.7705e-003 1.4216e-003 2.9083e-004 6.2135e-005 7.0529e+000 9.7055e-001 127 1.7705e-03 1.4216e-03 2.9083e-04 6.2135e-05 7.0529e+00 9.7055e-01
128 1.7751e-003 1.4245e-003 2.7382e-004 6.1996e-005 7.0521e+000 9.7055e-001 128 1.7751e-03 1.4245e-03 2.7382e-04 6.1996e-05 7.0521e+00 9.7055e-01
129 1.7793e-003 1.4271e-003 2.5850e-004 6.1872e-005 7.0514e+000 9.7055e-001 129 1.7793e-03 1.4271e-03 2.5850e-04 6.1872e-05 7.0514e+00 9.7055e-01
130 1.7831e-003 1.4293e-003 2.4471e-004 6.1760e-005 7.0508e+000 9.7055e-001 130 1.7831e-03 1.4293e-03 2.4471e-04 6.1760e-05 7.0508e+00 9.7055e-01
131 1.7866e-003 1.4313e-003 2.3230e-004 6.1661e-005 7.0502e+000 9.7055e-001 131 1.7866e-03 1.4313e-03 2.3230e-04 6.1661e-05 7.0502e+00 9.7055e-01
132 1.7897e-003 1.4330e-003 2.2113e-004 6.1572e-005 7.0497e+000 9.7055e-001 132 1.7897e-03 1.4330e-03 2.2113e-04 6.1572e-05 7.0497e+00 9.7055e-01
133 1.7927e-003 1.4345e-003 2.1110e-004 6.1493e-005 7.0492e+000 9.7055e-001 133 1.7927e-03 1.4345e-03 2.1110e-04 6.1493e-05 7.0492e+00 9.7055e-01
134 1.7953e-003 1.4358e-003 2.0207e-004 6.1422e-005 7.0488e+000 9.7055e-001 134 1.7953e-03 1.4358e-03 2.0207e-04 6.1422e-05 7.0488e+00 9.7055e-01
135 1.7978e-003 1.4370e-003 1.9396e-004 6.1358e-005 7.0485e+000 9.7055e-001 135 1.7978e-03 1.4370e-03 1.9396e-04 6.1358e-05 7.0485e+00 9.7055e-01
136 1.8000e-003 1.4379e-003 1.8667e-004 6.1301e-005 7.0481e+000 9.7055e-001 136 1.8000e-03 1.4379e-03 1.8667e-04 6.1301e-05 7.0481e+00 9.7055e-01
137 1.8021e-003 1.4388e-003 1.8012e-004 6.1251e-005 7.0479e+000 9.7055e-001 137 1.8021e-03 1.4388e-03 1.8012e-04 6.1251e-05 7.0479e+00 9.7055e-01
138 1.8040e-003 1.4395e-003 1.7424e-004 6.1206e-005 7.0476e+000 9.7055e-001 138 1.8040e-03 1.4395e-03 1.7424e-04 6.1206e-05 7.0476e+00 9.7055e-01
139 1.8057e-003 1.4400e-003 1.6896e-004 6.1165e-005 7.0474e+000 9.7055e-001 139 1.8057e-03 1.4400e-03 1.6896e-04 6.1165e-05 7.0474e+00 9.7055e-01
140 1.8074e-003 1.4405e-003 1.6421e-004 6.1129e-005 7.0472e+000 9.7055e-001 140 1.8074e-03 1.4405e-03 1.6421e-04 6.1129e-05 7.0472e+00 9.7055e-01
141 1.8089e-003 1.4409e-003 1.5995e-004 6.1097e-005 7.0470e+000 9.7055e-001 141 1.8089e-03 1.4409e-03 1.5995e-04 6.1097e-05 7.0470e+00 9.7055e-01
142 1.8103e-003 1.4412e-003 1.5613e-004 6.1069e-005 7.0468e+000 9.7055e-001 142 1.8103e-03 1.4412e-03 1.5613e-04 6.1069e-05 7.0468e+00 9.7055e-01
143 1.8116e-003 1.4414e-003 1.5269e-004 6.1043e-005 7.0467e+000 9.7055e-001 143 1.8116e-03 1.4414e-03 1.5269e-04 6.1043e-05 7.0467e+00 9.7055e-01
144 1.8128e-003 1.4416e-003 1.4961e-004 6.1021e-005 7.0465e+000 9.7055e-001 144 1.8128e-03 1.4416e-03 1.4961e-04 6.1021e-05 7.0465e+00 9.7055e-01
145 1.8139e-003 1.4417e-003 1.4685e-004 6.1001e-005 7.0464e+000 9.7055e-001 145 1.8139e-03 1.4417e-03 1.4685e-04 6.1001e-05 7.0464e+00 9.7055e-01
146 1.8150e-003 1.4417e-003 1.4436e-004 6.0983e-005 7.0463e+000 9.7055e-001 146 1.8150e-03 1.4417e-03 1.4436e-04 6.0983e-05 7.0463e+00 9.7055e-01
147 1.8160e-003 1.4417e-003 1.4214e-004 6.0967e-005 7.0462e+000 9.7055e-001 147 1.8160e-03 1.4417e-03 1.4214e-04 6.0967e-05 7.0462e+00 9.7055e-01
148 1.8169e-003 1.4417e-003 1.4014e-004 6.0953e-005 7.0461e+000 9.7055e-001 148 1.8169e-03 1.4417e-03 1.4014e-04 6.0953e-05 7.0461e+00 9.7055e-01
149 1.8178e-003 1.4416e-003 1.3834e-004 6.0941e-005 7.0461e+000 9.7055e-001 149 1.8178e-03 1.4416e-03 1.3834e-04 6.0941e-05 7.0461e+00 9.7055e-01
150 1.8186e-003 1.4415e-003 1.3673e-004 6.0930e-005 7.0460e+000 9.7055e-001 150 1.8186e-03 1.4415e-03 1.3673e-04 6.0930e-05 7.0460e+00 9.7055e-01
151 1.8194e-003 1.4413e-003 1.3529e-004 6.0920e-005 7.0459e+000 9.7055e-001 151 1.8194e-03 1.4413e-03 1.3529e-04 6.0920e-05 7.0459e+00 9.7055e-01
152 1.8202e-003 1.4412e-003 1.3399e-004 6.0912e-005 7.0459e+000 9.7055e-001 152 1.8202e-03 1.4412e-03 1.3399e-04 6.0912e-05 7.0459e+00 9.7055e-01
153 1.8209e-003 1.4410e-003 1.3283e-004 6.0904e-005 7.0458e+000 9.7055e-001 153 1.8209e-03 1.4410e-03 1.3283e-04 6.0904e-05 7.0458e+00 9.7055e-01
154 1.8216e-003 1.4408e-003 1.3179e-004 6.0898e-005 7.0458e+000 9.7055e-001 154 1.8216e-03 1.4408e-03 1.3179e-04 6.0898e-05 7.0458e+00 9.7055e-01
155 1.8223e-003 1.4405e-003 1.3085e-004 6.0892e-005 7.0458e+000 9.7055e-001 155 1.8223e-03 1.4405e-03 1.3085e-04 6.0892e-05 7.0458e+00 9.7055e-01
156 1.8229e-003 1.4403e-003 1.3001e-004 6.0888e-005 7.0457e+000 9.7055e-001 156 1.8229e-03 1.4403e-03 1.3001e-04 6.0888e-05 7.0457e+00 9.7055e-01
157 1.8235e-003 1.4400e-003 1.2926e-004 6.0884e-005 7.0457e+000 9.7055e-001 157 1.8235e-03 1.4400e-03 1.2926e-04 6.0884e-05 7.0457e+00 9.7055e-01
158 1.8241e-003 1.4397e-003 1.2858e-004 6.0880e-005 7.0457e+000 9.7055e-001 158 1.8241e-03 1.4397e-03 1.2858e-04 6.0880e-05 7.0457e+00 9.7055e-01
159 1.8247e-003 1.4394e-003 1.2798e-004 6.0877e-005 7.0457e+000 9.7055e-001 159 1.8247e-03 1.4394e-03 1.2798e-04 6.0877e-05 7.0457e+00 9.7055e-01
160 1.8252e-003 1.4391e-003 1.2743e-004 6.0874e-005 7.0457e+000 9.7055e-001 160 1.8252e-03 1.4391e-03 1.2743e-04 6.0874e-05 7.0457e+00 9.7055e-01
161 1.8258e-003 1.4388e-003 1.2695e-004 6.0872e-005 7.0456e+000 9.7055e-001 161 1.8258e-03 1.4388e-03 1.2695e-04 6.0872e-05 7.0456e+00 9.7055e-01
162 1.8263e-003 1.4385e-003 1.2651e-004 6.0871e-005 7.0456e+000 9.7055e-001 162 1.8263e-03 1.4385e-03 1.2651e-04 6.0871e-05 7.0456e+00 9.7055e-01
163 1.8268e-003 1.4382e-003 1.2612e-004 6.0869e-005 7.0456e+000 9.7055e-001 163 1.8268e-03 1.4382e-03 1.2612e-04 6.0869e-05 7.0456e+00 9.7055e-01
164 1.8273e-003 1.4379e-003 1.2577e-004 6.0868e-005 7.0456e+000 9.7055e-001 164 1.8273e-03 1.4379e-03 1.2577e-04 6.0868e-05 7.0456e+00 9.7055e-01
165 1.8278e-003 1.4376e-003 1.2545e-004 6.0868e-005 7.0456e+000 9.7055e-001 165 1.8278e-03 1.4376e-03 1.2545e-04 6.0868e-05 7.0456e+00 9.7055e-01
166 1.8283e-003 1.4372e-003 1.2517e-004 6.0867e-005 7.0456e+000 9.7055e-001 166 1.8283e-03 1.4372e-03 1.2517e-04 6.0867e-05 7.0456e+00 9.7055e-01
167 1.8287e-003 1.4369e-003 1.2491e-004 6.0867e-005 7.0456e+000 9.7055e-001 167 1.8287e-03 1.4369e-03 1.2491e-04 6.0867e-05 7.0456e+00 9.7055e-01
168 1.8292e-003 1.4366e-003 1.2468e-004 6.0867e-005 7.0456e+000 9.7055e-001 168 1.8292e-03 1.4366e-03 1.2468e-04 6.0867e-05 7.0456e+00 9.7055e-01
169 1.8296e-003 1.4362e-003 1.2448e-004 6.0867e-005 7.0456e+000 9.7055e-001 169 1.8296e-03 1.4362e-03 1.2448e-04 6.0867e-05 7.0456e+00 9.7055e-01
170 1.8301e-003 1.4359e-003 1.2430e-004 6.0867e-005 7.0456e+000 9.7055e-001 170 1.8301e-03 1.4359e-03 1.2430e-04 6.0867e-05 7.0456e+00 9.7055e-01
171 1.8305e-003 1.4355e-003 1.2413e-004 6.0868e-005 7.0456e+000 9.7055e-001 171 1.8305e-03 1.4355e-03 1.2413e-04 6.0868e-05 7.0456e+00 9.7055e-01
172 1.8309e-003 1.4352e-003 1.2399e-004 6.0868e-005 7.0456e+000 9.7055e-001 172 1.8309e-03 1.4352e-03 1.2399e-04 6.0868e-05 7.0456e+00 9.7055e-01
173 1.8313e-003 1.4348e-003 1.2385e-004 6.0869e-005 7.0456e+000 9.7055e-001 173 1.8313e-03 1.4348e-03 1.2385e-04 6.0869e-05 7.0456e+00 9.7055e-01
174 1.8317e-003 1.4345e-003 1.2373e-004 6.0869e-005 7.0456e+000 9.7055e-001 174 1.8317e-03 1.4345e-03 1.2373e-04 6.0869e-05 7.0456e+00 9.7055e-01
175 1.8321e-003 1.4342e-003 1.2363e-004 6.0870e-005 7.0456e+000 9.7055e-001 175 1.8321e-03 1.4342e-03 1.2363e-04 6.0870e-05 7.0456e+00 9.7055e-01
176 1.8325e-003 1.4338e-003 1.2353e-004 6.0871e-005 7.0456e+000 9.7055e-001 176 1.8325e-03 1.4338e-03 1.2353e-04 6.0871e-05 7.0456e+00 9.7055e-01
177 1.8329e-003 1.4335e-003 1.2345e-004 6.0872e-005 7.0456e+000 9.7055e-001 177 1.8329e-03 1.4335e-03 1.2345e-04 6.0872e-05 7.0456e+00 9.7055e-01
178 1.8333e-003 1.4331e-003 1.2337e-004 6.0873e-005 7.0456e+000 9.7055e-001 178 1.8333e-03 1.4331e-03 1.2337e-04 6.0873e-05 7.0456e+00 9.7055e-01
179 1.8337e-003 1.4328e-003 1.2330e-004 6.0874e-005 7.0456e+000 9.7054e-001 179 1.8337e-03 1.4328e-03 1.2330e-04 6.0874e-05 7.0456e+00 9.7054e-01
180 1.8341e-003 1.4325e-003 1.2324e-004 6.0875e-005 7.0456e+000 9.7054e-001 180 1.8341e-03 1.4325e-03 1.2324e-04 6.0875e-05 7.0456e+00 9.7054e-01
181 1.8345e-003 1.4321e-003 1.2318e-004 6.0876e-005 7.0456e+000 9.7054e-001 181 1.8345e-03 1.4321e-03 1.2318e-04 6.0876e-05 7.0456e+00 9.7054e-01
182 1.8348e-003 1.4318e-003 1.2313e-004 6.0878e-005 7.0457e+000 9.7054e-001 182 1.8348e-03 1.4318e-03 1.2313e-04 6.0878e-05 7.0457e+00 9.7054e-01
183 1.8352e-003 1.4315e-003 1.2309e-004 6.0879e-005 7.0457e+000 9.7054e-001 183 1.8352e-03 1.4315e-03 1.2309e-04 6.0879e-05 7.0457e+00 9.7054e-01
184 1.8356e-003 1.4311e-003 1.2305e-004 6.0880e-005 7.0457e+000 9.7054e-001 184 1.8356e-03 1.4311e-03 1.2305e-04 6.0880e-05 7.0457e+00 9.7054e-01
185 1.8359e-003 1.4308e-003 1.2301e-004 6.0881e-005 7.0457e+000 9.7054e-001 185 1.8359e-03 1.4308e-03 1.2301e-04 6.0881e-05 7.0457e+00 9.7054e-01
186 1.8363e-003 1.4305e-003 1.2298e-004 6.0883e-005 7.0457e+000 9.7054e-001 186 1.8363e-03 1.4305e-03 1.2298e-04 6.0883e-05 7.0457e+00 9.7054e-01
187 1.8367e-003 1.4301e-003 1.2295e-004 6.0884e-005 7.0457e+000 9.7054e-001 187 1.8367e-03 1.4301e-03 1.2295e-04 6.0884e-05 7.0457e+00 9.7054e-01
188 1.8370e-003 1.4298e-003 1.2293e-004 6.0885e-005 7.0457e+000 9.7054e-001 188 1.8370e-03 1.4298e-03 1.2293e-04 6.0885e-05 7.0457e+00 9.7054e-01
189 1.8374e-003 1.4295e-003 1.2290e-004 6.0887e-005 7.0457e+000 9.7054e-001 189 1.8374e-03 1.4295e-03 1.2290e-04 6.0887e-05 7.0457e+00 9.7054e-01
190 1.8377e-003 1.4292e-003 1.2288e-004 6.0888e-005 7.0457e+000 9.7054e-001 190 1.8377e-03 1.4292e-03 1.2288e-04 6.0888e-05 7.0457e+00 9.7054e-01
191 1.8381e-003 1.4288e-003 1.2286e-004 6.0890e-005 7.0457e+000 9.7054e-001 191 1.8381e-03 1.4288e-03 1.2286e-04 6.0890e-05 7.0457e+00 9.7054e-01
192 1.8384e-003 1.4285e-003 1.2285e-004 6.0891e-005 7.0457e+000 9.7054e-001 192 1.8384e-03 1.4285e-03 1.2285e-04 6.0891e-05 7.0457e+00 9.7054e-01
193 1.8387e-003 1.4282e-003 1.2283e-004 6.0892e-005 7.0457e+000 9.7054e-001 193 1.8387e-03 1.4282e-03 1.2283e-04 6.0892e-05 7.0457e+00 9.7054e-01
194 1.8391e-003 1.4279e-003 1.2282e-004 6.0894e-005 7.0457e+000 9.7054e-001 194 1.8391e-03 1.4279e-03 1.2282e-04 6.0894e-05 7.0457e+00 9.7054e-01
195 1.8394e-003 1.4276e-003 1.2281e-004 6.0895e-005 7.0457e+000 9.7054e-001 195 1.8394e-03 1.4276e-03 1.2281e-04 6.0895e-05 7.0457e+00 9.7054e-01
196 1.8397e-003 1.4273e-003 1.2279e-004 6.0897e-005 7.0457e+000 9.7054e-001 196 1.8397e-03 1.4273e-03 1.2279e-04 6.0897e-05 7.0457e+00 9.7054e-01
197 1.8401e-003 1.4270e-003 1.2278e-004 6.0898e-005 7.0458e+000 9.7054e-001 197 1.8401e-03 1.4270e-03 1.2278e-04 6.0898e-05 7.0458e+00 9.7054e-01
198 1.8404e-003 1.4266e-003 1.2278e-004 6.0899e-005 7.0458e+000 9.7054e-001 198 1.8404e-03 1.4266e-03 1.2278e-04 6.0899e-05 7.0458e+00 9.7054e-01
199 1.8407e-003 1.4263e-003 1.2277e-004 6.0901e-005 7.0458e+000 9.7054e-001 199 1.8407e-03 1.4263e-03 1.2277e-04 6.0901e-05 7.0458e+00 9.7054e-01
200 1.8410e-003 1.4260e-003 1.2276e-004 6.0902e-005 7.0458e+000 9.7054e-001 200 1.8410e-03 1.4260e-03 1.2276e-04 6.0902e-05 7.0458e+00 9.7054e-01

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ex15.sel
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sim state soln dist_x time step pH pe m_Nta-3 m_CoNta- m_HNta-2 m_Co+2 hours Co_sorb CoNta_sorb Biomass sim state soln dist_x time step pH pe m_Nta-3 m_CoNta- m_HNta-2 m_Co+2 hours Co_sorb CoNta_sorb Biomass
1 transp 10 9.5 0 0 6 14.3937 0.0000e+000 0.0000e+000 0.0000e+000 0.0000e+000 5.0000e-001 0.0000e+000 0.0000e+000 0.0000e+000 1 transp 10 9.5 0 0 6 14.3937 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 5.0000e-01 0.0000e+00 0.0000e+00 0.0000e+00
1 transp 10 9.5 3600 1 6 14.3937 0.0000e+000 0.0000e+000 0.0000e+000 0.0000e+000 1.5000e+000 0.0000e+000 0.0000e+000 1.3572e-004 1 transp 10 9.5 3600 1 6 14.3937 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 1.5000e+00 0.0000e+00 0.0000e+00 1.3572e-04
1 transp 10 9.5 7200 2 6 14.3937 0.0000e+000 0.0000e+000 0.0000e+000 0.0000e+000 2.5000e+000 0.0000e+000 0.0000e+000 1.3544e-004 1 transp 10 9.5 7200 2 6 14.3937 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 2.5000e+00 0.0000e+00 0.0000e+00 1.3544e-04
1 transp 10 9.5 10800 3 6 14.3937 0.0000e+000 0.0000e+000 0.0000e+000 0.0000e+000 3.5000e+000 0.0000e+000 0.0000e+000 1.3515e-004 1 transp 10 9.5 10800 3 6 14.3937 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 3.5000e+00 0.0000e+00 0.0000e+00 1.3515e-04
1 transp 10 9.5 14400 4 6 14.3937 0.0000e+000 0.0000e+000 0.0000e+000 0.0000e+000 4.5000e+000 0.0000e+000 0.0000e+000 1.3487e-004 1 transp 10 9.5 14400 4 6 14.3937 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 4.5000e+00 0.0000e+00 0.0000e+00 1.3487e-04
1 transp 10 9.5 18000 5 6 14.3937 4.1637e-017 4.8355e-019 8.3076e-013 2.3172e-014 5.5000e+000 6.1781e-018 1.4377e-022 1.3459e-004 1 transp 10 9.5 18000 5 6 14.3937 4.1637e-17 4.8355e-19 8.3076e-13 2.3172e-14 5.5000e+00 6.1781e-18 1.4377e-22 1.3459e-04
1 transp 10 9.5 21600 6 6.00019 14.3935 5.3587e-015 7.6672e-015 1.0687e-010 2.8548e-012 6.5000e+000 1.0994e-015 2.6066e-018 1.3431e-004 1 transp 10 9.5 21600 6 6.00019 14.3935 5.3587e-15 7.6672e-15 1.0687e-10 2.8548e-12 6.5000e+00 1.0994e-15 2.6066e-18 1.3431e-04
1 transp 10 9.5 25200 7 6.00441 14.3893 1.1039e-013 3.4338e-012 2.1803e-009 6.2065e-011 7.5000e+000 2.2731e-014 9.7754e-016 1.3406e-004 1 transp 10 9.5 25200 7 6.00441 14.3893 1.1039e-13 3.4338e-12 2.1803e-09 6.2065e-11 7.5000e+00 2.2731e-14 9.7754e-16 1.3406e-04
1 transp 10 9.5 28800 8 6.03587 14.3576 8.7248e-013 1.8088e-010 1.6028e-008 4.1366e-010 8.5000e+000 1.5703e-013 4.8045e-014 1.3399e-004 1 transp 10 9.5 28800 8 6.03587 14.3576 8.7248e-13 1.8088e-10 1.6028e-08 4.1366e-10 8.5000e+00 1.5703e-13 4.8045e-14 1.3399e-04
1 transp 10 9.5 32400 9 6.12883 14.264 3.7779e-012 1.9561e-009 5.6030e-008 1.0331e-009 9.5000e+000 4.8525e-013 5.5433e-013 1.3445e-004 1 transp 10 9.5 32400 9 6.12883 14.264 3.7779e-12 1.9561e-09 5.6030e-08 1.0331e-09 9.5000e+00 4.8525e-13 5.5433e-13 1.3445e-04
1 transp 10 9.5 36000 10 6.2369 14.1549 9.6448e-012 8.0004e-009 1.1153e-007 1.6551e-009 1.0500e+001 9.8421e-013 2.4608e-012 1.3556e-004 1 transp 10 9.5 36000 10 6.2369 14.1549 9.6448e-12 8.0004e-09 1.1153e-07 1.6551e-09 1.0500e+01 9.8421e-13 2.4608e-12 1.3556e-04
1 transp 10 9.5 39600 11 6.30614 14.0851 1.5152e-011 2.0272e-008 1.4940e-007 2.6695e-009 1.1500e+001 1.7623e-012 6.7849e-012 1.3707e-004 1 transp 10 9.5 39600 11 6.30614 14.0851 1.5152e-11 2.0272e-08 1.4940e-07 2.6695e-09 1.1500e+01 1.7623e-12 6.7849e-12 1.3707e-04
1 transp 10 9.5 43200 12 6.35376 14.0371 1.9799e-011 4.1065e-008 1.7494e-007 4.1384e-009 1.2500e+001 2.9364e-012 1.4662e-011 1.3886e-004 1 transp 10 9.5 43200 12 6.35376 14.0371 1.9799e-11 4.1065e-08 1.7494e-07 4.1384e-09 1.2500e+01 2.9364e-12 1.4662e-11 1.3886e-04
1 transp 10 9.5 46800 13 6.3909 13.9998 2.3996e-011 7.2616e-008 1.9464e-007 6.0380e-009 1.3500e+001 4.6059e-012 2.7261e-011 1.4085e-004 1 transp 10 9.5 46800 13 6.3909 13.9998 2.3996e-11 7.2616e-08 1.9464e-07 6.0380e-09 1.3500e+01 4.6059e-12 2.7261e-11 1.4085e-04
1 transp 10 9.5 50400 14 6.4217 13.9688 2.7923e-011 1.1683e-007 2.1099e-007 8.3484e-009 1.4500e+001 6.8561e-012 4.5675e-011 1.4301e-004 1 transp 10 9.5 50400 14 6.4217 13.9688 2.7923e-11 1.1683e-07 2.1099e-07 8.3484e-09 1.4500e+01 6.8561e-12 4.5675e-11 1.4301e-04
1 transp 10 9.5 54000 15 6.44804 13.9423 3.1619e-011 1.7515e-007 2.2486e-007 1.1052e-008 1.5500e+001 9.7615e-012 7.0827e-011 1.4533e-004 1 transp 10 9.5 54000 15 6.44804 13.9423 3.1619e-11 1.7515e-07 2.2486e-07 1.1052e-08 1.5500e+01 9.7615e-12 7.0827e-11 1.4533e-04
1 transp 10 9.5 57600 16 6.47097 13.9193 3.5087e-011 2.4844e-007 2.3669e-007 1.4128e-008 1.6500e+001 1.3385e-011 1.0340e-010 1.4778e-004 1 transp 10 9.5 57600 16 6.47097 13.9193 3.5087e-11 2.4844e-07 2.3669e-07 1.4128e-08 1.6500e+01 1.3385e-11 1.0340e-10 1.4778e-04
1 transp 10 9.5 61200 17 6.49117 13.8989 3.8321e-011 3.3699e-007 2.4675e-007 1.7546e-008 1.7500e+001 1.7779e-011 1.4381e-010 1.5036e-004 1 transp 10 9.5 61200 17 6.49117 13.8989 3.8321e-11 3.3699e-07 2.4675e-07 1.7546e-08 1.7500e+01 1.7779e-11 1.4381e-10 1.5036e-04
1 transp 10 9.5 64800 18 6.50914 13.8808 4.1316e-011 4.4051e-007 2.5526e-007 2.1274e-008 1.8500e+001 2.2982e-011 1.9215e-010 1.5306e-004 1 transp 10 9.5 64800 18 6.50914 13.8808 4.1316e-11 4.4051e-07 2.5526e-07 2.1274e-08 1.8500e+01 2.2982e-11 1.9215e-10 1.5306e-04
1 transp 10 9.5 68400 19 6.52519 13.8647 4.4065e-011 5.5820e-007 2.6236e-007 2.5276e-008 1.9500e+001 2.9022e-011 2.4826e-010 1.5586e-004 1 transp 10 9.5 68400 19 6.52519 13.8647 4.4065e-11 5.5820e-07 2.6236e-07 2.5276e-08 1.9500e+01 2.9022e-11 2.4826e-10 1.5586e-04
1 transp 10 9.5 72000 20 6.53959 13.8502 4.6562e-011 6.8880e-007 2.6819e-007 2.9517e-008 2.0500e+001 3.5915e-011 3.1170e-010 1.5876e-004 1 transp 10 9.5 72000 20 6.53959 13.8502 4.6562e-11 6.8880e-07 2.6819e-07 2.9517e-08 2.0500e+01 3.5915e-11 3.1170e-10 1.5876e-04
2 transp 10 9.5 72000 0 6.53959 13.8502 4.6562e-011 6.8880e-007 2.6819e-007 2.9517e-008 2.0500e+001 0.0000e+000 0.0000e+000 0.0000e+000 2 transp 10 9.5 72000 0 6.53959 13.8502 4.6562e-11 6.8880e-07 2.6819e-07 2.9517e-08 2.0500e+01 0.0000e+00 0.0000e+00 0.0000e+00
2 transp 10 9.5 75600 1 6.55254 13.8371 4.8804e-011 8.3068e-007 2.7284e-007 3.3961e-008 2.1500e+001 4.3669e-011 3.8179e-010 1.6174e-004 2 transp 10 9.5 75600 1 6.55254 13.8371 4.8804e-11 8.3068e-07 2.7284e-07 3.3961e-08 2.1500e+01 4.3669e-11 3.8179e-10 1.6174e-04
2 transp 10 9.5 79200 2 6.56419 13.8254 5.0791e-011 9.8198e-007 2.7644e-007 3.8576e-008 2.2500e+001 5.2280e-011 4.5769e-010 1.6481e-004 2 transp 10 9.5 79200 2 6.56419 13.8254 5.0791e-11 9.8198e-07 2.7644e-07 3.8576e-08 2.2500e+01 5.2280e-11 4.5769e-10 1.6481e-04
2 transp 10 9.5 82800 3 6.57469 13.8148 5.2526e-011 1.1406e-006 2.7905e-007 4.3329e-008 2.3500e+001 6.1739e-011 5.3842e-010 1.6796e-004 2 transp 10 9.5 82800 3 6.57469 13.8148 5.2526e-11 1.1406e-06 2.7905e-07 4.3329e-08 2.3500e+01 6.1739e-11 5.3842e-10 1.6796e-04
2 transp 10 9.5 86400 4 6.58413 13.8053 5.4012e-011 1.3046e-006 2.8077e-007 4.8193e-008 2.4500e+001 7.2027e-011 6.2293e-010 1.7117e-004 2 transp 10 9.5 86400 4 6.58413 13.8053 5.4012e-11 1.3046e-06 2.8077e-07 4.8193e-08 2.4500e+01 7.2027e-11 6.2293e-10 1.7117e-04
2 transp 10 9.5 90000 5 6.59263 13.7967 5.5256e-011 1.4717e-006 2.8168e-007 5.3142e-008 2.5500e+001 8.3123e-011 7.1013e-010 1.7444e-004 2 transp 10 9.5 90000 5 6.59263 13.7967 5.5256e-11 1.4717e-06 2.8168e-07 5.3142e-08 2.5500e+01 8.3123e-11 7.1013e-10 1.7444e-04
2 transp 10 9.5 93600 6 6.60028 13.789 5.6269e-011 1.6400e-006 2.8183e-007 5.8153e-008 2.6500e+001 9.4998e-011 7.9893e-010 1.7778e-004 2 transp 10 9.5 93600 6 6.60028 13.789 5.6269e-11 1.6400e-06 2.8183e-07 5.8153e-08 2.6500e+01 9.4998e-11 7.9893e-10 1.7778e-04
2 transp 10 9.5 97200 7 6.60754 13.7817 5.7056e-011 1.8075e-006 2.8103e-007 6.3208e-008 2.7500e+001 1.0762e-010 8.8826e-010 1.8116e-004 2 transp 10 9.5 97200 7 6.60754 13.7817 5.7056e-11 1.8075e-06 2.8103e-07 6.3208e-08 2.7500e+01 1.0762e-10 8.8826e-10 1.8116e-04
2 transp 10 9.5 100800 8 6.61795 13.7713 5.7637e-011 1.9718e-006 2.7717e-007 6.8258e-008 2.8500e+001 1.2096e-010 9.7697e-010 1.8457e-004 2 transp 10 9.5 100800 8 6.61795 13.7713 5.7637e-11 1.9718e-06 2.7717e-07 6.8258e-08 2.8500e+01 1.2096e-10 9.7697e-10 1.8457e-04
2 transp 10 9.5 104400 9 6.64212 13.7473 5.8212e-011 2.1299e-006 2.6478e-007 7.3002e-008 2.9500e+001 1.3490e-010 1.0636e-009 1.8791e-004 2 transp 10 9.5 104400 9 6.64212 13.7473 5.8212e-11 2.1299e-06 2.6478e-07 7.3002e-08 2.9500e+01 1.3490e-10 1.0636e-09 1.8791e-04
2 transp 10 9.5 108000 10 6.6795 13.7103 5.8949e-011 2.2783e-006 2.4602e-007 7.7114e-008 3.0500e+001 1.4924e-010 1.1465e-009 1.9109e-004 2 transp 10 9.5 108000 10 6.6795 13.7103 5.8949e-11 2.2783e-06 2.4602e-07 7.7114e-08 3.0500e+01 1.4924e-10 1.1465e-09 1.9109e-04
2 transp 10 9.5 111600 11 6.69156 13.6985 5.8746e-011 2.4117e-006 2.3846e-007 8.1911e-008 3.1500e+001 1.6415e-010 1.2236e-009 1.9424e-004 2 transp 10 9.5 111600 11 6.69156 13.6985 5.8746e-11 2.4117e-06 2.3846e-07 8.1911e-08 3.1500e+01 1.6415e-10 1.2236e-09 1.9424e-04
2 transp 10 9.5 115200 12 6.68638 13.7039 5.7684e-011 2.5260e-006 2.3696e-007 8.7374e-008 3.2500e+001 1.7978e-010 1.2925e-009 1.9741e-004 2 transp 10 9.5 115200 12 6.68638 13.7039 5.7684e-11 2.5260e-06 2.3696e-07 8.7374e-08 3.2500e+01 1.7978e-10 1.2925e-09 1.9741e-04
2 transp 10 9.5 118800 13 6.67462 13.7157 5.6097e-011 2.6183e-006 2.3676e-007 9.3127e-008 3.3500e+001 1.9616e-010 1.3514e-009 2.0062e-004 2 transp 10 9.5 118800 13 6.67462 13.7157 5.6097e-11 2.6183e-06 2.3676e-07 9.3127e-08 3.3500e+01 1.9616e-10 1.3514e-09 2.0062e-04
2 transp 10 9.5 122400 14 6.66009 13.7304 5.4144e-011 2.6860e-006 2.3630e-007 9.8982e-008 3.4500e+001 2.1330e-010 1.3987e-009 2.0387e-004 2 transp 10 9.5 122400 14 6.66009 13.7304 5.4144e-11 2.6860e-06 2.3630e-07 9.8982e-08 3.4500e+01 2.1330e-10 1.3987e-09 2.0387e-04
2 transp 10 9.5 126000 15 6.64373 13.7469 5.1900e-011 2.7276e-006 2.3520e-007 1.0486e-007 3.5500e+001 2.3114e-010 1.4332e-009 2.0716e-004 2 transp 10 9.5 126000 15 6.64373 13.7469 5.1900e-11 2.7276e-06 2.3520e-07 1.0486e-07 3.5500e+01 2.3114e-10 1.4332e-09 2.0716e-04
2 transp 10 9.5 129600 16 6.62579 13.7649 4.9419e-011 2.7424e-006 2.3341e-007 1.1072e-007 3.6500e+001 2.4964e-010 1.4540e-009 2.1047e-004 2 transp 10 9.5 129600 16 6.62579 13.7649 4.9419e-11 2.7424e-06 2.3341e-07 1.1072e-07 3.6500e+01 2.4964e-10 1.4540e-09 2.1047e-04
2 transp 10 9.5 133200 17 6.60638 13.7845 4.6754e-011 2.7304e-006 2.3091e-007 1.1652e-007 3.7500e+001 2.6875e-010 1.4608e-009 2.1379e-004 2 transp 10 9.5 133200 17 6.60638 13.7845 4.6754e-11 2.7304e-06 2.3091e-07 1.1652e-07 3.7500e+01 2.6875e-10 1.4608e-09 2.1379e-04
2 transp 10 9.5 136800 18 6.58562 13.8054 4.3956e-011 2.6927e-006 2.2772e-007 1.2223e-007 3.8500e+001 2.8841e-010 1.4537e-009 2.1712e-004 2 transp 10 9.5 136800 18 6.58562 13.8054 4.3956e-11 2.6927e-06 2.2772e-07 1.2223e-07 3.8500e+01 2.8841e-10 1.4537e-09 2.1712e-04
2 transp 10 9.5 140400 19 6.56361 13.8275 4.1075e-011 2.6309e-006 2.2386e-007 1.2780e-007 3.9500e+001 3.0854e-010 1.4333e-009 2.2044e-004 2 transp 10 9.5 140400 19 6.56361 13.8275 4.1075e-11 2.6309e-06 2.2386e-07 1.2780e-07 3.9500e+01 3.0854e-10 1.4333e-09 2.2044e-04
2 transp 10 9.5 144000 20 6.54047 13.8508 3.8158e-011 2.5474e-006 2.1934e-007 1.3320e-007 4.0500e+001 3.2906e-010 1.4004e-009 2.2375e-004 2 transp 10 9.5 144000 20 6.54047 13.8508 3.8158e-11 2.5474e-06 2.1934e-07 1.3320e-07 4.0500e+01 3.2906e-10 1.4004e-09 2.2375e-04
2 transp 10 9.5 147600 21 6.51631 13.8751 3.5247e-011 2.4449e-006 2.1419e-007 1.3841e-007 4.1500e+001 3.4990e-010 1.3562e-009 2.2702e-004 2 transp 10 9.5 147600 21 6.51631 13.8751 3.5247e-11 2.4449e-06 2.1419e-07 1.3841e-07 4.1500e+01 3.4990e-10 1.3562e-09 2.2702e-04
2 transp 10 9.5 151200 22 6.49127 13.9003 3.2379e-011 2.3266e-006 2.0845e-007 1.4337e-007 4.2500e+001 3.7097e-010 1.3021e-009 2.3026e-004 2 transp 10 9.5 151200 22 6.49127 13.9003 3.2379e-11 2.3266e-06 2.0845e-07 1.4337e-07 4.2500e+01 3.7097e-10 1.3021e-09 2.3026e-04
2 transp 10 9.5 154800 23 6.46547 13.9262 2.9588e-011 2.1956e-006 2.0213e-007 1.4806e-007 4.3500e+001 3.9217e-010 1.2398e-009 2.3344e-004 2 transp 10 9.5 154800 23 6.46547 13.9262 2.9588e-11 2.1956e-06 2.0213e-07 1.4806e-07 4.3500e+01 3.9217e-10 1.2398e-09 2.3344e-04
2 transp 10 9.5 158400 24 6.43907 13.9527 2.6899e-011 2.0552e-006 1.9529e-007 1.5245e-007 4.4500e+001 4.1340e-010 1.1710e-009 2.3656e-004 2 transp 10 9.5 158400 24 6.43907 13.9527 2.6899e-11 2.0552e-06 1.9529e-07 1.5245e-07 4.4500e+01 4.1340e-10 1.1710e-09 2.3656e-04
2 transp 10 9.5 162000 25 6.41223 13.9797 2.4336e-011 1.9087e-006 1.8794e-007 1.5649e-007 4.5500e+001 4.3456e-010 1.0972e-009 2.3959e-004 2 transp 10 9.5 162000 25 6.41223 13.9797 2.4336e-11 1.9087e-06 1.8794e-07 1.5649e-07 4.5500e+01 4.3456e-10 1.0972e-09 2.3959e-04
2 transp 10 9.5 165600 26 6.38512 14.0069 2.1913e-011 1.7589e-006 1.8013e-007 1.6016e-007 4.6500e+001 4.5554e-010 1.0202e-009 2.4253e-004 2 transp 10 9.5 165600 26 6.38512 14.0069 2.1913e-11 1.7589e-06 1.8013e-07 1.6016e-07 4.6500e+01 4.5554e-10 1.0202e-09 2.4253e-04
2 transp 10 9.5 169200 27 6.35794 14.0343 1.9643e-011 1.6088e-006 1.7189e-007 1.6342e-007 4.7500e+001 4.7623e-010 9.4150e-010 2.4537e-004 2 transp 10 9.5 169200 27 6.35794 14.0343 1.9643e-11 1.6088e-06 1.7189e-07 1.6342e-07 4.7500e+01 4.7623e-10 9.4150e-10 2.4537e-04
2 transp 10 9.5 172800 28 6.33089 14.0614 1.7532e-011 1.4607e-006 1.6329e-007 1.6624e-007 4.8500e+001 4.9652e-010 8.6254e-010 2.4809e-004 2 transp 10 9.5 172800 28 6.33089 14.0614 1.7532e-11 1.4607e-06 1.6329e-07 1.6624e-07 4.8500e+01 4.9652e-10 8.6254e-10 2.4809e-04
2 transp 10 9.5 176400 29 6.30416 14.0883 1.5584e-011 1.3168e-006 1.5436e-007 1.6859e-007 4.9500e+001 5.1630e-010 7.8460e-010 2.5068e-004 2 transp 10 9.5 176400 29 6.30416 14.0883 1.5584e-11 1.3168e-06 1.5436e-07 1.6859e-07 4.9500e+01 5.1630e-10 7.8460e-10 2.5068e-04
2 transp 10 9.5 180000 30 6.27797 14.1146 1.3798e-011 1.1788e-006 1.4516e-007 1.7047e-007 5.0500e+001 5.3545e-010 7.0877e-010 2.5312e-004 2 transp 10 9.5 180000 30 6.27797 14.1146 1.3798e-11 1.1788e-06 1.4516e-07 1.7047e-07 5.0500e+01 5.3545e-10 7.0877e-10 2.5312e-04
2 transp 10 9.5 183600 31 6.25252 14.1402 1.2170e-011 1.0482e-006 1.3576e-007 1.7185e-007 5.1500e+001 5.5388e-010 6.3597e-010 2.5541e-004 2 transp 10 9.5 183600 31 6.25252 14.1402 1.2170e-11 1.0482e-06 1.3576e-07 1.7185e-07 5.1500e+01 5.5388e-10 6.3597e-10 2.5541e-04
2 transp 10 9.5 187200 32 6.228 14.1648 1.0695e-011 9.2591e-007 1.2623e-007 1.7274e-007 5.2500e+001 5.7148e-010 5.6693e-010 2.5754e-004 2 transp 10 9.5 187200 32 6.228 14.1648 1.0695e-11 9.2591e-07 1.2623e-07 1.7274e-07 5.2500e+01 5.7148e-10 5.6693e-10 2.5754e-04
2 transp 10 9.5 190800 33 6.20459 14.1883 9.3648e-012 8.1273e-007 1.1666e-007 1.7316e-007 5.3500e+001 5.8818e-010 5.0219e-010 2.5949e-004 2 transp 10 9.5 190800 33 6.20459 14.1883 9.3648e-12 8.1273e-07 1.1666e-07 1.7316e-07 5.3500e+01 5.8818e-10 5.0219e-10 2.5949e-04
2 transp 10 9.5 194400 34 6.18244 14.2105 8.1717e-012 7.0904e-007 1.0712e-007 1.7312e-007 5.4500e+001 6.0391e-010 4.4212e-010 2.6127e-004 2 transp 10 9.5 194400 34 6.18244 14.2105 8.1717e-12 7.0904e-07 1.0712e-07 1.7312e-07 5.4500e+01 6.0391e-10 4.4212e-10 2.6127e-04
2 transp 10 9.5 198000 35 6.16167 14.2314 7.1059e-012 6.1497e-007 9.7713e-008 1.7268e-007 5.5500e+001 6.1861e-010 3.8695e-010 2.6286e-004 2 transp 10 9.5 198000 35 6.16167 14.2314 7.1059e-12 6.1497e-07 9.7713e-08 1.7268e-07 5.5500e+01 6.1861e-10 3.8695e-10 2.6286e-04
2 transp 10 9.5 201600 36 6.14237 14.2508 6.1578e-012 5.3042e-007 8.8524e-008 1.7187e-007 5.6500e+001 6.3226e-010 3.3676e-010 2.6427e-004 2 transp 10 9.5 201600 36 6.14237 14.2508 6.1578e-12 5.3042e-07 8.8524e-08 1.7187e-07 5.6500e+01 6.3226e-10 3.3676e-10 2.6427e-04
2 transp 10 9.5 205200 37 6.12459 14.2686 5.3178e-012 4.5509e-007 7.9641e-008 1.7075e-007 5.7500e+001 6.4483e-010 2.9149e-010 2.6550e-004 2 transp 10 9.5 205200 37 6.12459 14.2686 5.3178e-12 4.5509e-07 7.9641e-08 1.7075e-07 5.7500e+01 6.4483e-10 2.9149e-10 2.6550e-04
2 transp 10 9.5 208800 38 6.10837 14.2849 4.5763e-012 3.8853e-007 7.1145e-008 1.6940e-007 5.8500e+001 6.5634e-010 2.5101e-010 2.6655e-004 2 transp 10 9.5 208800 38 6.10837 14.2849 4.5763e-12 3.8853e-07 7.1145e-08 1.6940e-07 5.8500e+01 6.5634e-10 2.5101e-10 2.6655e-04
2 transp 10 9.5 212400 39 6.09369 14.2996 3.9244e-012 3.3017e-007 6.3107e-008 1.6787e-007 5.9500e+001 6.6679e-010 2.1511e-010 2.6742e-004 2 transp 10 9.5 212400 39 6.09369 14.2996 3.9244e-12 3.3017e-07 6.3107e-08 1.6787e-07 5.9500e+01 6.6679e-10 2.1511e-10 2.6742e-04
2 transp 10 9.5 216000 40 6.08053 14.3129 3.3534e-012 2.7937e-007 5.5584e-008 1.6623e-007 6.0500e+001 6.7624e-010 1.8349e-010 2.6813e-004 2 transp 10 9.5 216000 40 6.08053 14.3129 3.3534e-12 2.7937e-07 5.5584e-08 1.6623e-07 6.0500e+01 6.7624e-10 1.8349e-10 2.6813e-04
2 transp 10 9.5 219600 41 6.06883 14.3246 2.8552e-012 2.3545e-007 4.8619e-008 1.6454e-007 6.1500e+001 6.8474e-010 1.5585e-010 2.6869e-004 2 transp 10 9.5 219600 41 6.06883 14.3246 2.8552e-12 2.3545e-07 4.8619e-08 1.6454e-07 6.1500e+01 6.8474e-10 1.5585e-10 2.6869e-04
2 transp 10 9.5 223200 42 6.05851 14.335 2.4224e-012 1.9772e-007 4.2241e-008 1.6286e-007 6.2500e+001 6.9233e-010 1.3184e-010 2.6910e-004 2 transp 10 9.5 223200 42 6.05851 14.335 2.4224e-12 1.9772e-07 4.2241e-08 1.6286e-07 6.2500e+01 6.9233e-10 1.3184e-10 2.6910e-04
2 transp 10 9.5 226800 43 6.04948 14.3441 2.0479e-012 1.6548e-007 3.6461e-008 1.6123e-007 6.3500e+001 6.9911e-010 1.1112e-010 2.6938e-004 2 transp 10 9.5 226800 43 6.04948 14.3441 2.0479e-12 1.6548e-07 3.6461e-08 1.6123e-07 6.3500e+01 6.9911e-10 1.1112e-10 2.6938e-04
2 transp 10 9.5 230400 44 6.04163 14.3519 1.7253e-012 1.3809e-007 3.1277e-008 1.5969e-007 6.4500e+001 7.0513e-010 9.3326e-011 2.6955e-004 2 transp 10 9.5 230400 44 6.04163 14.3519 1.7253e-12 1.3809e-07 3.1277e-08 1.5969e-07 6.4500e+01 7.0513e-10 9.3326e-11 2.6955e-04
2 transp 10 9.5 234000 45 6.03487 14.3587 1.4485e-012 1.1491e-007 2.6672e-008 1.5827e-007 6.5500e+001 7.1047e-010 7.8132e-011 2.6960e-004 2 transp 10 9.5 234000 45 6.03487 14.3587 1.4485e-12 1.1491e-07 2.6672e-08 1.5827e-07 6.5500e+01 7.1047e-10 7.8132e-11 2.6960e-04
2 transp 10 9.5 237600 46 6.02908 14.3645 1.2122e-012 9.5378e-008 2.2620e-008 1.5699e-007 6.6500e+001 7.1521e-010 6.5220e-011 2.6957e-004 2 transp 10 9.5 237600 46 6.02908 14.3645 1.2122e-12 9.5378e-08 2.2620e-08 1.5699e-07 6.6500e+01 7.1521e-10 6.5220e-11 2.6957e-04
2 transp 10 9.5 241200 47 6.02415 14.3695 1.0113e-012 7.8988e-008 1.9086e-008 1.5585e-007 6.7500e+001 7.1941e-010 5.4292e-011 2.6945e-004 2 transp 10 9.5 241200 47 6.02415 14.3695 1.0113e-12 7.8988e-08 1.9086e-08 1.5585e-07 6.7500e+01 7.1941e-10 5.4292e-11 2.6945e-04
2 transp 10 9.5 244800 48 6.01999 14.3737 8.4110e-013 6.5277e-008 1.6027e-008 1.5485e-007 6.8500e+001 7.2315e-010 4.5082e-011 2.6926e-004 2 transp 10 9.5 244800 48 6.01999 14.3737 8.4110e-13 6.5277e-08 1.6027e-08 1.5485e-07 6.8500e+01 7.2315e-10 4.5082e-11 2.6926e-04
2 transp 10 9.5 248400 49 6.01648 14.3772 6.9760e-013 5.3842e-008 1.3400e-008 1.5400e-007 6.9500e+001 7.2648e-010 3.7348e-011 2.6901e-004 2 transp 10 9.5 248400 49 6.01648 14.3772 6.9760e-13 5.3842e-08 1.3400e-08 1.5400e-07 6.9500e+01 7.2648e-10 3.7348e-11 2.6901e-04
2 transp 10 9.5 252000 50 6.01355 14.3801 5.7705e-013 4.4330e-008 1.1160e-008 1.5328e-007 7.0500e+001 7.2947e-010 3.0873e-011 2.6870e-004 2 transp 10 9.5 252000 50 6.01355 14.3801 5.7705e-13 4.4330e-08 1.1160e-08 1.5328e-07 7.0500e+01 7.2947e-10 3.0873e-11 2.6870e-04
2 transp 10 9.5 255600 51 6.01111 14.3826 4.7615e-013 3.6437e-008 9.2604e-009 1.5268e-007 7.1500e+001 7.3215e-010 2.5469e-011 2.6836e-004 2 transp 10 9.5 255600 51 6.01111 14.3826 4.7615e-13 3.6437e-08 9.2604e-09 1.5268e-07 7.1500e+01 7.3215e-10 2.5469e-11 2.6836e-04
2 transp 10 9.5 259200 52 6.00908 14.3846 3.9198e-013 2.9901e-008 7.6592e-009 1.5220e-007 7.2500e+001 7.3458e-010 2.0972e-011 2.6798e-004 2 transp 10 9.5 259200 52 6.00908 14.3846 3.9198e-13 2.9901e-08 7.6592e-09 1.5220e-07 7.2500e+01 7.3458e-10 2.0972e-11 2.6798e-04
2 transp 10 9.5 262800 53 6.00741 14.3863 3.2200e-013 2.4501e-008 6.3161e-009 1.5182e-007 7.3500e+001 7.3678e-010 1.7238e-011 2.6756e-004 2 transp 10 9.5 262800 53 6.00741 14.3863 3.2200e-13 2.4501e-08 6.3161e-09 1.5182e-07 7.3500e+01 7.3678e-10 1.7238e-11 2.6756e-04
2 transp 10 9.5 266400 54 6.00603 14.3877 2.6398e-013 2.0046e-008 5.1944e-009 1.5152e-007 7.4500e+001 7.3880e-010 1.4145e-011 2.6713e-004 2 transp 10 9.5 266400 54 6.00603 14.3877 2.6398e-13 2.0046e-08 5.1944e-09 1.5152e-07 7.4500e+01 7.3880e-10 1.4145e-11 2.6713e-04
2 transp 10 9.5 270000 55 6.0049 14.3888 2.1600e-013 1.6379e-008 4.2615e-009 1.5130e-007 7.5500e+001 7.4066e-010 1.1589e-011 2.6667e-004 2 transp 10 9.5 270000 55 6.0049 14.3888 2.1600e-13 1.6379e-08 4.2615e-09 1.5130e-07 7.5500e+01 7.4066e-10 1.1589e-11 2.6667e-04
3 transp 20 9.75 0 0 6 14.3937 0.0000e+000 0.0000e+000 0.0000e+000 0.0000e+000 2.5000e-001 0.0000e+000 0.0000e+000 0.0000e+000 3 transp 20 9.75 0 0 6 14.3937 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 2.5000e-01 0.0000e+00 0.0000e+00 0.0000e+00
3 transp 20 9.75 3600 2 6 14.3937 0.0000e+000 0.0000e+000 0.0000e+000 0.0000e+000 1.2500e+000 0.0000e+000 0.0000e+000 1.3572e-004 3 transp 20 9.75 3600 2 6 14.3937 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 1.2500e+00 0.0000e+00 0.0000e+00 1.3572e-04
3 transp 20 9.75 7200 4 6 14.3937 0.0000e+000 0.0000e+000 0.0000e+000 0.0000e+000 2.2500e+000 0.0000e+000 0.0000e+000 1.3544e-004 3 transp 20 9.75 7200 4 6 14.3937 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 2.2500e+00 0.0000e+00 0.0000e+00 1.3544e-04
3 transp 20 9.75 10800 6 6 14.3937 0.0000e+000 0.0000e+000 0.0000e+000 0.0000e+000 3.2500e+000 0.0000e+000 0.0000e+000 1.3515e-004 3 transp 20 9.75 10800 6 6 14.3937 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 3.2500e+00 0.0000e+00 0.0000e+00 1.3515e-04
3 transp 20 9.75 14400 8 6 14.3937 0.0000e+000 0.0000e+000 0.0000e+000 0.0000e+000 4.2500e+000 0.0000e+000 0.0000e+000 1.3487e-004 3 transp 20 9.75 14400 8 6 14.3937 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 4.2500e+00 0.0000e+00 0.0000e+00 1.3487e-04
3 transp 20 9.75 18000 10 6 14.3937 1.5238e-020 5.3049e-026 3.0403e-016 6.9464e-018 5.2500e+000 6.1742e-022 4.9718e-030 1.3459e-004 3 transp 20 9.75 18000 10 6 14.3937 1.5238e-20 5.3049e-26 3.0403e-16 6.9464e-18 5.2500e+00 6.1742e-22 4.9718e-30 1.3459e-04
3 transp 20 9.75 21600 12 6.00001 14.3937 1.5975e-016 4.1405e-018 3.1874e-012 5.1715e-014 6.2500e+000 6.9697e-018 4.6156e-022 1.3431e-004 3 transp 20 9.75 21600 12 6.00001 14.3937 1.5975e-16 4.1405e-18 3.1874e-12 5.1715e-14 6.2500e+00 6.9697e-18 4.6156e-22 1.3431e-04
3 transp 20 9.75 25200 14 6.00099 14.3927 2.2502e-014 7.4018e-014 4.4795e-010 6.5633e-012 7.2500e+000 1.1424e-015 1.0363e-017 1.3404e-004 3 transp 20 9.75 25200 14 6.00099 14.3927 2.2502e-14 7.4018e-14 4.4795e-10 6.5633e-12 7.2500e+00 1.1424e-15 1.0363e-17 1.3404e-04
3 transp 20 9.75 28800 16 6.0195 14.3741 4.3142e-013 2.8750e-011 8.2301e-009 1.3296e-010 8.2500e+000 2.6874e-014 4.0925e-015 1.3383e-004 3 transp 20 9.75 28800 16 6.0195 14.3741 4.3142e-13 2.8750e-11 8.2301e-09 1.3296e-10 8.2500e+00 2.6874e-14 4.0925e-15 1.3383e-04
3 transp 20 9.75 32400 18 6.0982 14.2948 2.5897e-012 6.9410e-010 4.1215e-008 5.3477e-010 9.2500e+000 1.5046e-013 1.1367e-013 1.3395e-004 3 transp 20 9.75 32400 18 6.0982 14.2948 2.5897e-12 6.9410e-10 4.1215e-08 5.3477e-10 9.2500e+00 1.5046e-13 1.1367e-13 1.3395e-04
3 transp 20 9.75 36000 20 6.20728 14.1848 7.5082e-012 3.8106e-009 9.2952e-008 1.0126e-009 1.0250e+001 4.0151e-013 7.6561e-013 1.3465e-004 3 transp 20 9.75 36000 20 6.20728 14.1848 7.5082e-12 3.8106e-09 9.2952e-08 1.0126e-09 1.0250e+01 4.0151e-13 7.6561e-13 1.3465e-04
3 transp 20 9.75 39600 22 6.28545 14.1059 1.3116e-011 1.1318e-008 1.3563e-007 1.7217e-009 1.1250e+001 8.1923e-013 2.6789e-012 1.3586e-004 3 transp 20 9.75 39600 22 6.28545 14.1059 1.3116e-11 1.1318e-08 1.3563e-07 1.7217e-09 1.1250e+01 8.1923e-13 2.6789e-12 1.3586e-04
3 transp 20 9.75 43200 24 6.33761 14.0534 1.7886e-011 2.5308e-008 1.6402e-007 2.8233e-009 1.2250e+001 1.4964e-012 6.7447e-012 1.3740e-004 3 transp 20 9.75 43200 24 6.33761 14.0534 1.7886e-11 2.5308e-08 1.6402e-07 2.8233e-09 1.2250e+01 1.4964e-12 6.7447e-12 1.3740e-04
3 transp 20 9.75 46800 26 6.37759 14.0132 2.2122e-011 4.8085e-008 1.8503e-007 4.3370e-009 1.3250e+001 2.5327e-012 1.4004e-011 1.3918e-004 3 transp 20 9.75 46800 26 6.37759 14.0132 2.2122e-11 4.8085e-08 1.8503e-07 4.3370e-09 1.3250e+01 2.5327e-12 1.4004e-11 1.3918e-04
3 transp 20 9.75 50400 28 6.41058 13.98 2.6101e-011 8.1880e-008 2.0233e-007 6.2593e-009 1.4250e+001 4.0203e-012 2.5577e-011 1.4114e-004 3 transp 20 9.75 50400 28 6.41058 13.98 2.6101e-11 8.1880e-08 2.0233e-07 6.2593e-09 1.4250e+01 4.0203e-12 2.5577e-11 1.4114e-04
3 transp 20 9.75 54000 30 6.43869 13.9517 2.9881e-011 1.2863e-007 2.1712e-007 8.5892e-009 1.5250e+001 6.0449e-012 4.2563e-011 1.4326e-004 3 transp 20 9.75 54000 30 6.43869 13.9517 2.9881e-11 1.2863e-07 2.1712e-07 8.5892e-09 1.5250e+01 6.0449e-12 4.2563e-11 1.4326e-04
3 transp 20 9.75 57600 32 6.46311 13.9271 3.3464e-011 1.8983e-007 2.2986e-007 1.1319e-008 1.6250e+001 8.6853e-012 6.5952e-011 1.4553e-004 3 transp 20 9.75 57600 32 6.46311 13.9271 3.3464e-11 1.8983e-07 2.2986e-07 1.1319e-08 1.6250e+01 8.6853e-12 6.5952e-11 1.4553e-04
3 transp 20 9.75 61200 34 6.48462 13.9055 3.6842e-011 2.6645e-007 2.4084e-007 1.4430e-008 1.7250e+001 1.2011e-011 9.6546e-011 1.4793e-004 3 transp 20 9.75 61200 34 6.48462 13.9055 3.6842e-11 2.6645e-07 2.4084e-07 1.4430e-08 1.7250e+01 1.2011e-11 9.6546e-11 1.4793e-04
3 transp 20 9.75 64800 36 6.50373 13.8863 4.0006e-011 3.5884e-007 2.5026e-007 1.7897e-008 1.8250e+001 1.6082e-011 1.3490e-010 1.5046e-004 3 transp 20 9.75 64800 36 6.50373 13.8863 4.0006e-11 3.5884e-07 2.5026e-07 1.7897e-08 1.8250e+01 1.6082e-11 1.3490e-10 1.5046e-04
3 transp 20 9.75 68400 38 6.52082 13.8691 4.2945e-011 4.6679e-007 2.5828e-007 2.1688e-008 1.9250e+001 2.0945e-011 1.8130e-010 1.5310e-004 3 transp 20 9.75 68400 38 6.52082 13.8691 4.2945e-11 4.6679e-07 2.5828e-07 2.1688e-08 1.9250e+01 2.0945e-11 1.8130e-10 1.5310e-04
3 transp 20 9.75 72000 40 6.53617 13.8536 4.5647e-011 5.8950e-007 2.6500e-007 2.5768e-008 2.0250e+001 2.6637e-011 2.3572e-010 1.5584e-004 3 transp 20 9.75 72000 40 6.53617 13.8536 4.5647e-11 5.8950e-07 2.6500e-07 2.5768e-08 2.0250e+01 2.6637e-11 2.3572e-10 1.5584e-04
4 transp 20 9.75 72000 0 6.53617 13.8536 4.5647e-011 5.8950e-007 2.6500e-007 2.5768e-008 2.0250e+001 0.0000e+000 0.0000e+000 0.0000e+000 4 transp 20 9.75 72000 0 6.53617 13.8536 4.5647e-11 5.8950e-07 2.6500e-07 2.5768e-08 2.0250e+01 0.0000e+00 0.0000e+00 0.0000e+00
4 transp 20 9.75 75600 2 6.54997 13.8397 4.8105e-011 7.2569e-007 2.7053e-007 3.0100e-008 2.1250e+001 3.3181e-011 2.9788e-010 1.5869e-004 4 transp 20 9.75 75600 2 6.54997 13.8397 4.8105e-11 7.2569e-07 2.7053e-07 3.0100e-08 2.1250e+01 3.3181e-11 2.9788e-10 1.5869e-04
4 transp 20 9.75 79200 4 6.5624 13.8272 5.0312e-011 8.7369e-007 2.7496e-007 3.4649e-008 2.2250e+001 4.0590e-011 3.6721e-010 1.6162e-004 4 transp 20 9.75 79200 4 6.5624 13.8272 5.0312e-11 8.7369e-07 2.7496e-07 3.4649e-08 2.2250e+01 4.0590e-11 3.6721e-10 1.6162e-04
4 transp 20 9.75 82800 6 6.57359 13.8159 5.2265e-011 1.0315e-006 2.7837e-007 3.9378e-008 2.3250e+001 4.8869e-011 4.4295e-010 1.6463e-004 4 transp 20 9.75 82800 6 6.57359 13.8159 5.2265e-11 1.0315e-06 2.7837e-07 3.9378e-08 2.3250e+01 4.8869e-11 4.4295e-10 1.6463e-04
4 transp 20 9.75 86400 8 6.58366 13.8058 5.3964e-011 1.1969e-006 2.8083e-007 4.4255e-008 2.4250e+001 5.8011e-011 5.2415e-010 1.6773e-004 4 transp 20 9.75 86400 8 6.58366 13.8058 5.3964e-11 1.1969e-06 2.8083e-07 4.4255e-08 2.4250e+01 5.8011e-11 5.2415e-10 1.6773e-04
4 transp 20 9.75 90000 10 6.5927 13.7967 5.5412e-011 1.3677e-006 2.8242e-007 4.9249e-008 2.5250e+001 6.8003e-011 6.0975e-010 1.7089e-004 4 transp 20 9.75 90000 10 6.5927 13.7967 5.5412e-11 1.3677e-06 2.8242e-07 4.9249e-08 2.5250e+01 6.8003e-11 6.0975e-10 1.7089e-04
4 transp 20 9.75 93600 12 6.60083 13.7885 5.6614e-011 1.5416e-006 2.8320e-007 5.4332e-008 2.6250e+001 7.8824e-011 6.9861e-010 1.7412e-004 4 transp 20 9.75 93600 12 6.60083 13.7885 5.6614e-11 1.5416e-06 2.8320e-07 5.4332e-08 2.6250e+01 7.8824e-11 6.9861e-10 1.7412e-04
4 transp 20 9.75 97200 14 6.60819 13.7811 5.7579e-011 1.7164e-006 2.8319e-007 5.9478e-008 2.7250e+001 9.0448e-011 7.8957e-010 1.7741e-004 4 transp 20 9.75 97200 14 6.60819 13.7811 5.7579e-11 1.7164e-06 2.8319e-07 5.9478e-08 2.7250e+01 9.0448e-11 7.8957e-10 1.7741e-04
4 transp 20 9.75 100800 16 6.61729 13.7719 5.8329e-011 1.8898e-006 2.8092e-007 6.4646e-008 2.8250e+001 1.0284e-010 8.8146e-010 1.8074e-004 4 transp 20 9.75 100800 16 6.61729 13.7719 5.8329e-11 1.8898e-06 2.8092e-07 6.4646e-08 2.8250e+01 1.0284e-10 8.8146e-10 1.8074e-04
4 transp 20 9.75 104400 18 6.63937 13.75 5.9056e-011 2.0592e-006 2.7033e-007 6.9572e-008 2.9250e+001 1.1593e-010 9.7301e-010 1.8406e-004 4 transp 20 9.75 104400 18 6.63937 13.75 5.9056e-11 2.0592e-06 2.7033e-07 6.9572e-08 2.9250e+01 1.1593e-10 9.7301e-10 1.8406e-04
4 transp 20 9.75 108000 20 6.67423 13.7155 5.9914e-011 2.2213e-006 2.5310e-007 7.3975e-008 3.0250e+001 1.2955e-010 1.0628e-009 1.8727e-004 4 transp 20 9.75 108000 20 6.67423 13.7155 5.9914e-11 2.2213e-06 2.5310e-07 7.3975e-08 3.0250e+01 1.2955e-10 1.0628e-09 1.8727e-04
4 transp 20 9.75 111600 22 6.69436 13.6956 6.0179e-011 2.3715e-006 2.4271e-007 7.8630e-008 3.1250e+001 1.4366e-010 1.1489e-009 1.9039e-004 4 transp 20 9.75 111600 22 6.69436 13.6956 6.0179e-11 2.3715e-06 2.4271e-07 7.8630e-08 3.1250e+01 1.4366e-10 1.1489e-09 1.9039e-04
4 transp 20 9.75 115200 24 6.69321 13.697 5.9460e-011 2.5051e-006 2.4044e-007 8.4061e-008 3.2250e+001 1.5844e-010 1.2293e-009 1.9351e-004 4 transp 20 9.75 115200 24 6.69321 13.697 5.9460e-11 2.5051e-06 2.4044e-07 8.4061e-08 3.2250e+01 1.5844e-10 1.2293e-09 1.9351e-04
4 transp 20 9.75 118800 26 6.68242 13.7079 5.8084e-011 2.6182e-006 2.4079e-007 8.9940e-008 3.3250e+001 1.7400e-010 1.3019e-009 1.9668e-004 4 transp 20 9.75 118800 26 6.68242 13.7079 5.8084e-11 2.6182e-06 2.4079e-07 8.9940e-08 3.3250e+01 1.7400e-10 1.3019e-09 1.9668e-04
4 transp 20 9.75 122400 28 6.6682 13.7222 5.6285e-011 2.7080e-006 2.4110e-007 9.5995e-008 3.4250e+001 1.9036e-010 1.3646e-009 1.9991e-004 4 transp 20 9.75 122400 28 6.6682 13.7222 5.6285e-11 2.7080e-06 2.4110e-07 9.5995e-08 3.4250e+01 1.9036e-10 1.3646e-09 1.9991e-04
4 transp 20 9.75 126000 30 6.65201 13.7385 5.4150e-011 2.7717e-006 2.4076e-007 1.0213e-007 3.5250e+001 2.0749e-010 1.4157e-009 2.0318e-004 4 transp 20 9.75 126000 30 6.65201 13.7385 5.4150e-11 2.7717e-06 2.4076e-07 1.0213e-07 3.5250e+01 2.0749e-10 1.4157e-09 2.0318e-04
4 transp 20 9.75 129600 32 6.63414 13.7565 5.1734e-011 2.8078e-006 2.3968e-007 1.0829e-007 3.6250e+001 2.2538e-010 1.4540e-009 2.0649e-004 4 transp 20 9.75 129600 32 6.63414 13.7565 5.1734e-11 2.8078e-06 2.3968e-07 1.0829e-07 3.6250e+01 2.2538e-10 1.4540e-09 2.0649e-04
4 transp 20 9.75 133200 34 6.6147 13.7761 4.9089e-011 2.8156e-006 2.3784e-007 1.1444e-007 3.7250e+001 2.4397e-010 1.4782e-009 2.0984e-004 4 transp 20 9.75 133200 34 6.6147 13.7761 4.9089e-11 2.8156e-06 2.3784e-07 1.1444e-07 3.7250e+01 2.4397e-10 1.4782e-09 2.0984e-04
4 transp 20 9.75 136800 36 6.59379 13.7972 4.6268e-011 2.7951e-006 2.3522e-007 1.2054e-007 3.8250e+001 2.6322e-010 1.4881e-009 2.1320e-004 4 transp 20 9.75 136800 36 6.59379 13.7972 4.6268e-11 2.7951e-06 2.3522e-07 1.2054e-07 3.8250e+01 2.6322e-10 1.4881e-09 2.1320e-04
4 transp 20 9.75 140400 38 6.57153 13.8196 4.3324e-011 2.7475e-006 2.3185e-007 1.2653e-007 3.9250e+001 2.8306e-010 1.4833e-009 2.1658e-004 4 transp 20 9.75 140400 38 6.57153 13.8196 4.3324e-11 2.7475e-06 2.3185e-07 1.2653e-07 3.9250e+01 2.8306e-10 1.4833e-09 2.1658e-04
4 transp 20 9.75 144000 40 6.54802 13.8432 4.0310e-011 2.6746e-006 2.2771e-007 1.3239e-007 4.0250e+001 3.0343e-010 1.4644e-009 2.1995e-004 4 transp 20 9.75 144000 40 6.54802 13.8432 4.0310e-11 2.6746e-06 2.2771e-07 1.3239e-07 4.0250e+01 3.0343e-10 1.4644e-09 2.1995e-04
4 transp 20 9.75 147600 42 6.52337 13.868 3.7273e-011 2.5790e-006 2.2285e-007 1.3806e-007 4.1250e+001 3.2424e-010 1.4320e-009 2.2331e-004 4 transp 20 9.75 147600 42 6.52337 13.868 3.7273e-11 2.5790e-06 2.2285e-07 1.3806e-07 4.1250e+01 3.2424e-10 1.4320e-09 2.2331e-04
4 transp 20 9.75 151200 44 6.49771 13.8938 3.4256e-011 2.4638e-006 2.1728e-007 1.4350e-007 4.2250e+001 3.4543e-010 1.3874e-009 2.2665e-004 4 transp 20 9.75 151200 44 6.49771 13.8938 3.4256e-11 2.4638e-06 2.1728e-07 1.4350e-07 4.2250e+01 3.4543e-10 1.3874e-09 2.2665e-04
4 transp 20 9.75 154800 46 6.47118 13.9205 3.1300e-011 2.3322e-006 2.1104e-007 1.4867e-007 4.3250e+001 3.6688e-010 1.3320e-009 2.2994e-004 4 transp 20 9.75 154800 46 6.47118 13.9205 3.1300e-11 2.3322e-06 2.1104e-07 1.4867e-07 4.3250e+01 3.6688e-10 1.3320e-09 2.2994e-04
4 transp 20 9.75 158400 48 6.44394 13.9479 2.8437e-011 2.1880e-006 2.0415e-007 1.5352e-007 4.4250e+001 3.8850e-010 1.2674e-009 2.3319e-004 4 transp 20 9.75 158400 48 6.44394 13.9479 2.8437e-11 2.1880e-06 2.0415e-07 1.5352e-07 4.4250e+01 3.8850e-10 1.2674e-09 2.3319e-04
4 transp 20 9.75 162000 50 6.41614 13.9758 2.5695e-011 2.0348e-006 1.9666e-007 1.5801e-007 4.5250e+001 4.1019e-010 1.1955e-009 2.3636e-004 4 transp 20 9.75 162000 50 6.41614 13.9758 2.5695e-11 2.0348e-06 1.9666e-07 1.5801e-07 4.5250e+01 4.1019e-10 1.1955e-09 2.3636e-04
4 transp 20 9.75 165600 52 6.38799 14.0041 2.3095e-011 1.8760e-006 1.8860e-007 1.6208e-007 4.6250e+001 4.3182e-010 1.1179e-009 2.3946e-004 4 transp 20 9.75 165600 52 6.38799 14.0041 2.3095e-11 1.8760e-06 1.8860e-07 1.6208e-07 4.6250e+01 4.3182e-10 1.1179e-09 2.3946e-04
4 transp 20 9.75 169200 54 6.35969 14.0325 2.0653e-011 1.7151e-006 1.8001e-007 1.6570e-007 4.7250e+001 4.5328e-010 1.0367e-009 2.4246e-004 4 transp 20 9.75 169200 54 6.35969 14.0325 2.0653e-11 1.7151e-06 1.8001e-07 1.6570e-07 4.7250e+01 4.5328e-10 1.0367e-09 2.4246e-04
4 transp 20 9.75 172800 56 6.33146 14.0609 1.8380e-011 1.5551e-006 1.7095e-007 1.6882e-007 4.8250e+001 4.7444e-010 9.5339e-010 2.4534e-004 4 transp 20 9.75 172800 56 6.33146 14.0609 1.8380e-11 1.5551e-06 1.7095e-07 1.6882e-07 4.8250e+01 4.7444e-10 9.5339e-10 2.4534e-04
4 transp 20 9.75 176400 58 6.30355 14.0889 1.6280e-011 1.3985e-006 1.6148e-007 1.7140e-007 4.9250e+001 4.9517e-010 8.6976e-010 2.4810e-004 4 transp 20 9.75 176400 58 6.30355 14.0889 1.6280e-11 1.3985e-06 1.6148e-07 1.7140e-07 4.9250e+01 4.9517e-10 8.6976e-10 2.4810e-04
4 transp 20 9.75 180000 60 6.27619 14.1164 1.4356e-011 1.2478e-006 1.5165e-007 1.7343e-007 5.0250e+001 5.1535e-010 7.8721e-010 2.5073e-004 4 transp 20 9.75 180000 60 6.27619 14.1164 1.4356e-11 1.2478e-06 1.5165e-07 1.7343e-07 5.0250e+01 5.1535e-10 7.8721e-10 2.5073e-04
4 transp 20 9.75 183600 62 6.24962 14.1431 1.2605e-011 1.1048e-006 1.4156e-007 1.7487e-007 5.1250e+001 5.3485e-010 7.0701e-010 2.5319e-004 4 transp 20 9.75 183600 62 6.24962 14.1431 1.2605e-11 1.1048e-06 1.4156e-07 1.7487e-07 5.1250e+01 5.3485e-10 7.0701e-10 2.5319e-04
4 transp 20 9.75 187200 64 6.22407 14.1687 1.1022e-011 9.7077e-007 1.3127e-007 1.7574e-007 5.2250e+001 5.5355e-010 6.3021e-010 2.5549e-004 4 transp 20 9.75 187200 64 6.22407 14.1687 1.1022e-11 9.7077e-07 1.3127e-07 1.7574e-07 5.2250e+01 5.5355e-10 6.3021e-10 2.5549e-04
4 transp 20 9.75 190800 66 6.19973 14.1932 9.5976e-012 8.4680e-007 1.2090e-007 1.7604e-007 5.3250e+001 5.7134e-010 5.5765e-010 2.5761e-004 4 transp 20 9.75 190800 66 6.19973 14.1932 9.5976e-12 8.4680e-07 1.2090e-07 1.7604e-07 5.3250e+01 5.7134e-10 5.5765e-10 2.5761e-04
4 transp 20 9.75 194400 68 6.17678 14.2162 8.3242e-012 7.3347e-007 1.1055e-007 1.7581e-007 5.4250e+001 5.8813e-010 4.8993e-010 2.5955e-004 4 transp 20 9.75 194400 68 6.17678 14.2162 8.3242e-12 7.3347e-07 1.1055e-07 1.7581e-07 5.4250e+01 5.8813e-10 4.8993e-10 2.5955e-04
4 transp 20 9.75 198000 70 6.15536 14.2377 7.1909e-012 6.3103e-007 1.0033e-007 1.7509e-007 5.5250e+001 6.0384e-010 4.2747e-010 2.6129e-004 4 transp 20 9.75 198000 70 6.15536 14.2377 7.1909e-12 6.3103e-07 1.0033e-07 1.7509e-07 5.5250e+01 6.0384e-10 4.2747e-10 2.6129e-04
4 transp 20 9.75 201600 72 6.13556 14.2576 6.1871e-012 5.3940e-007 9.0349e-008 1.7395e-007 5.6250e+001 6.1843e-010 3.7051e-010 2.6284e-004 4 transp 20 9.75 201600 72 6.13556 14.2576 6.1871e-12 5.3940e-07 9.0349e-08 1.7395e-07 5.6250e+01 6.1843e-10 3.7051e-10 2.6284e-04
4 transp 20 9.75 205200 74 6.11746 14.2758 5.3019e-012 4.5826e-007 8.0718e-008 1.7246e-007 5.7250e+001 6.3185e-010 3.1909e-010 2.6418e-004 4 transp 20 9.75 205200 74 6.11746 14.2758 5.3019e-12 4.5826e-07 8.0718e-08 1.7246e-07 5.7250e+01 6.3185e-10 3.1909e-10 2.6418e-04
4 transp 20 9.75 208800 76 6.10107 14.2923 4.5247e-012 3.8709e-007 7.1536e-008 1.7070e-007 5.8250e+001 6.4410e-010 2.7315e-010 2.6534e-004 4 transp 20 9.75 208800 76 6.10107 14.2923 4.5247e-12 3.8709e-07 7.1536e-08 1.7070e-07 5.8250e+01 6.4410e-10 2.7315e-10 2.6534e-04
4 transp 20 9.75 212400 78 6.08637 14.307 3.8454e-012 3.2523e-007 6.2889e-008 1.6875e-007 5.9250e+001 6.5521e-010 2.3247e-010 2.6630e-004 4 transp 20 9.75 212400 78 6.08637 14.307 3.8454e-12 3.2523e-07 6.2889e-08 1.6875e-07 5.9250e+01 6.5521e-10 2.3247e-10 2.6630e-04
4 transp 20 9.75 216000 80 6.07332 14.3201 3.2542e-012 2.7189e-007 5.4844e-008 1.6671e-007 6.0250e+001 6.6519e-010 1.9677e-010 2.6709e-004 4 transp 20 9.75 216000 80 6.07332 14.3201 3.2542e-12 2.7189e-07 5.4844e-08 1.6671e-07 6.0250e+01 6.6519e-10 1.9677e-10 2.6709e-04
4 transp 20 9.75 219600 82 6.06184 14.3316 2.7422e-012 2.2626e-007 4.7452e-008 1.6463e-007 6.1250e+001 6.7412e-010 1.6570e-010 2.6770e-004 4 transp 20 9.75 219600 82 6.06184 14.3316 2.7422e-12 2.2626e-07 4.7452e-08 1.6463e-07 6.1250e+01 6.7412e-10 1.6570e-10 2.6770e-04
4 transp 20 9.75 223200 84 6.05183 14.3417 2.3008e-012 1.8750e-007 4.0743e-008 1.6260e-007 6.2250e+001 6.8205e-010 1.3887e-010 2.6816e-004 4 transp 20 9.75 223200 84 6.05183 14.3417 2.3008e-12 1.8750e-07 4.0743e-08 1.6260e-07 6.2250e+01 6.8205e-10 1.3887e-10 2.6816e-04
4 transp 20 9.75 226800 86 6.04319 14.3504 1.9223e-012 1.5479e-007 3.4723e-008 1.6067e-007 6.3250e+001 6.8906e-010 1.1587e-010 2.6847e-004 4 transp 20 9.75 226800 86 6.04319 14.3504 1.9223e-12 1.5479e-07 3.4723e-08 1.6067e-07 6.3250e+01 6.8906e-10 1.1587e-10 2.6847e-04
4 transp 20 9.75 230400 88 6.03578 14.3578 1.5993e-012 1.2734e-007 2.9385e-008 1.5887e-007 6.4250e+001 6.9524e-010 9.6273e-011 2.6865e-004 4 transp 20 9.75 230400 88 6.03578 14.3578 1.5993e-12 1.2734e-07 2.9385e-08 1.5887e-07 6.4250e+01 6.9524e-10 9.6273e-11 2.6865e-04
4 transp 20 9.75 234000 90 6.02949 14.3641 1.3251e-012 1.0442e-007 2.4703e-008 1.5724e-007 6.5250e+001 7.0068e-010 7.9687e-011 2.6872e-004 4 transp 20 9.75 234000 90 6.02949 14.3641 1.3251e-12 1.0442e-07 2.4703e-08 1.5724e-07 6.5250e+01 7.0068e-10 7.9687e-11 2.6872e-04
4 transp 20 9.75 237600 92 6.02419 14.3694 1.0936e-012 8.5385e-008 2.0638e-008 1.5578e-007 6.6250e+001 7.0546e-010 6.5726e-011 2.6869e-004 4 transp 20 9.75 237600 92 6.02419 14.3694 1.0936e-12 8.5385e-08 2.0638e-08 1.5578e-07 6.6250e+01 7.0546e-10 6.5726e-11 2.6869e-04
4 transp 20 9.75 241200 94 6.01975 14.3739 8.9916e-013 6.9632e-008 1.7143e-008 1.5452e-007 6.7250e+001 7.0967e-010 5.4034e-011 2.6856e-004 4 transp 20 9.75 241200 94 6.01975 14.3739 8.9916e-13 6.9632e-08 1.7143e-08 1.5452e-07 6.7250e+01 7.0967e-10 5.4034e-11 2.6856e-04
4 transp 20 9.75 244800 96 6.01606 14.3776 7.3665e-013 5.6647e-008 1.4164e-008 1.5343e-007 6.8250e+001 7.1338e-010 4.4288e-011 2.6837e-004 4 transp 20 9.75 244800 96 6.01606 14.3776 7.3665e-13 5.6647e-08 1.4164e-08 1.5343e-07 6.8250e+01 7.1338e-10 4.4288e-11 2.6837e-04
4 transp 20 9.75 248400 98 6.01301 14.3807 6.0148e-013 4.5978e-008 1.1647e-008 1.5252e-007 6.9250e+001 7.1667e-010 3.6198e-011 2.6811e-004 4 transp 20 9.75 248400 98 6.01301 14.3807 6.0148e-13 4.5978e-08 1.1647e-08 1.5252e-07 6.9250e+01 7.1667e-10 3.6198e-11 2.6811e-04
4 transp 20 9.75 252000 100 6.0105 14.3832 4.8955e-013 3.7239e-008 9.5346e-009 1.5177e-007 7.0250e+001 7.1959e-010 2.9508e-011 2.6779e-004 4 transp 20 9.75 252000 100 6.0105 14.3832 4.8955e-13 3.7239e-08 9.5346e-09 1.5177e-07 7.0250e+01 7.1959e-10 2.9508e-11 2.6779e-04
4 transp 20 9.75 255600 102 6.00844 14.3853 3.9728e-013 3.0100e-008 7.7742e-009 1.5117e-007 7.1250e+001 7.2221e-010 2.3996e-011 2.6744e-004 4 transp 20 9.75 255600 102 6.00844 14.3853 3.9728e-13 3.0100e-08 7.7742e-09 1.5117e-07 7.1250e+01 7.2221e-10 2.3996e-11 2.6744e-04
4 transp 20 9.75 259200 104 6.00677 14.3869 3.2151e-013 2.4282e-008 6.3157e-009 1.5069e-007 7.2250e+001 7.2457e-010 1.9469e-011 2.6704e-004 4 transp 20 9.75 259200 104 6.00677 14.3869 3.2151e-13 2.4282e-08 6.3157e-09 1.5069e-07 7.2250e+01 7.2457e-10 1.9469e-11 2.6704e-04
4 transp 20 9.75 262800 106 6.00542 14.3883 2.5952e-013 1.9553e-008 5.1139e-009 1.5033e-007 7.3250e+001 7.2672e-010 1.5761e-011 2.6662e-004 4 transp 20 9.75 262800 106 6.00542 14.3883 2.5952e-13 1.9553e-08 5.1139e-09 1.5033e-07 7.3250e+01 7.2672e-10 1.5761e-11 2.6662e-04
4 transp 20 9.75 266400 108 6.00432 14.3894 2.0897e-013 1.5716e-008 4.1282e-009 1.5006e-007 7.4250e+001 7.2869e-010 1.2733e-011 2.6617e-004 4 transp 20 9.75 266400 108 6.00432 14.3894 2.0897e-13 1.5716e-08 4.1282e-09 1.5006e-07 7.4250e+01 7.2869e-10 1.2733e-11 2.6617e-04
4 transp 20 9.75 270000 110 6.00344 14.3903 1.6789e-013 1.2610e-008 3.3234e-009 1.4987e-007 7.5250e+001 7.3050e-010 1.0267e-011 2.6570e-004 4 transp 20 9.75 270000 110 6.00344 14.3903 1.6789e-13 1.2610e-08 3.3234e-09 1.4987e-07 7.5250e+01 7.3050e-10 1.0267e-11 2.6570e-04

448
ex16.out
View File

@ -65,14 +65,14 @@ Initial solution 1.
Elements Molality Moles Elements Molality Moles
Alkalinity 3.280e-004 3.280e-004 Alkalinity 3.280e-04 3.280e-04
Ca 7.800e-005 7.800e-005 Ca 7.800e-05 7.800e-05
Cl 1.400e-005 1.400e-005 Cl 1.400e-05 1.400e-05
K 2.800e-005 2.800e-005 K 2.800e-05 2.800e-05
Mg 2.900e-005 2.900e-005 Mg 2.900e-05 2.900e-05
Na 1.340e-004 1.340e-004 Na 1.340e-04 1.340e-04
S(6) 1.000e-005 1.000e-005 S(6) 1.000e-05 1.000e-05
Si 2.730e-004 2.730e-004 Si 2.730e-04 2.730e-04
----------------------------Description of solution---------------------------- ----------------------------Description of solution----------------------------
@ -81,76 +81,76 @@ Initial solution 1.
Specific Conductance (uS/cm, 25 oC) = 37 Specific Conductance (uS/cm, 25 oC) = 37
Density (g/cm3) = 0.99707 Density (g/cm3) = 0.99707
Activity of water = 1.000 Activity of water = 1.000
Ionic strength = 4.851e-004 Ionic strength = 4.851e-04
Mass of water (kg) = 1.000e+000 Mass of water (kg) = 1.000e+00
Total carbon (mol/kg) = 7.825e-004 Total carbon (mol/kg) = 7.825e-04
Total CO2 (mol/kg) = 7.825e-004 Total CO2 (mol/kg) = 7.825e-04
Temperature (deg C) = 25.00 Temperature (deg C) = 25.00
Electrical balance (eq) = 1.400e-005 Electrical balance (eq) = 1.400e-05
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 1.90 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 1.90
Iterations = 7 Iterations = 7
Total H = 1.110139e+002 Total H = 1.110139e+02
Total O = 5.550924e+001 Total O = 5.550924e+01
----------------------------Distribution of species---------------------------- ----------------------------Distribution of species----------------------------
Log Log Log Log Log Log
Species Molality Activity Molality Activity Gamma Species Molality Activity Molality Activity Gamma
H+ 6.464e-007 6.310e-007 -6.189 -6.200 -0.011 H+ 6.464e-07 6.310e-07 -6.189 -6.200 -0.011
OH- 1.627e-008 1.587e-008 -7.789 -7.800 -0.011 OH- 1.627e-08 1.587e-08 -7.789 -7.800 -0.011
H2O 5.551e+001 1.000e+000 1.744 -0.000 0.000 H2O 5.551e+01 1.000e+00 1.744 -0.000 0.000
C(4) 7.825e-004 C(4) 7.825e-04
CO2 4.540e-004 4.540e-004 -3.343 -3.343 0.000 CO2 4.540e-04 4.540e-04 -3.343 -3.343 0.000
HCO3- 3.281e-004 3.200e-004 -3.484 -3.495 -0.011 HCO3- 3.281e-04 3.200e-04 -3.484 -3.495 -0.011
CaHCO3+ 2.940e-007 2.868e-007 -6.532 -6.542 -0.011 CaHCO3+ 2.940e-07 2.868e-07 -6.532 -6.542 -0.011
MgHCO3+ 1.003e-007 9.783e-008 -6.999 -7.010 -0.011 MgHCO3+ 1.003e-07 9.783e-08 -6.999 -7.010 -0.011
CO3-2 2.628e-008 2.379e-008 -7.580 -7.624 -0.043 CO3-2 2.628e-08 2.379e-08 -7.580 -7.624 -0.043
NaHCO3 2.351e-008 2.352e-008 -7.629 -7.629 0.000 NaHCO3 2.351e-08 2.352e-08 -7.629 -7.629 0.000
CaCO3 2.806e-009 2.807e-009 -8.552 -8.552 0.000 CaCO3 2.806e-09 2.807e-09 -8.552 -8.552 0.000
MgCO3 5.929e-010 5.930e-010 -9.227 -9.227 0.000 MgCO3 5.929e-10 5.930e-10 -9.227 -9.227 0.000
NaCO3- 5.935e-011 5.788e-011 -10.227 -10.237 -0.011 NaCO3- 5.935e-11 5.788e-11 -10.227 -10.237 -0.011
Ca 7.800e-005 Ca 7.800e-05
Ca+2 7.758e-005 7.023e-005 -4.110 -4.153 -0.043 Ca+2 7.758e-05 7.023e-05 -4.110 -4.153 -0.043
CaHCO3+ 2.940e-007 2.868e-007 -6.532 -6.542 -0.011 CaHCO3+ 2.940e-07 2.868e-07 -6.532 -6.542 -0.011
CaSO4 1.244e-007 1.245e-007 -6.905 -6.905 0.000 CaSO4 1.244e-07 1.245e-07 -6.905 -6.905 0.000
CaCO3 2.806e-009 2.807e-009 -8.552 -8.552 0.000 CaCO3 2.806e-09 2.807e-09 -8.552 -8.552 0.000
CaOH+ 1.894e-011 1.847e-011 -10.723 -10.733 -0.011 CaOH+ 1.894e-11 1.847e-11 -10.723 -10.733 -0.011
CaHSO4+ 4.717e-013 4.600e-013 -12.326 -12.337 -0.011 CaHSO4+ 4.717e-13 4.600e-13 -12.326 -12.337 -0.011
Cl 1.400e-005 Cl 1.400e-05
Cl- 1.400e-005 1.365e-005 -4.854 -4.865 -0.011 Cl- 1.400e-05 1.365e-05 -4.854 -4.865 -0.011
H(0) 5.636e-024 H(0) 5.636e-24
H2 2.818e-024 2.818e-024 -23.550 -23.550 0.000 H2 2.818e-24 2.818e-24 -23.550 -23.550 0.000
K 2.800e-005 K 2.800e-05
K+ 2.800e-005 2.730e-005 -4.553 -4.564 -0.011 K+ 2.800e-05 2.730e-05 -4.553 -4.564 -0.011
KSO4- 1.747e-009 1.704e-009 -8.758 -8.769 -0.011 KSO4- 1.747e-09 1.704e-09 -8.758 -8.769 -0.011
KOH 1.500e-013 1.500e-013 -12.824 -12.824 0.000 KOH 1.500e-13 1.500e-13 -12.824 -12.824 0.000
Mg 2.900e-005 Mg 2.900e-05
Mg+2 2.885e-005 2.612e-005 -4.540 -4.583 -0.043 Mg+2 2.885e-05 2.612e-05 -4.540 -4.583 -0.043
MgHCO3+ 1.003e-007 9.783e-008 -6.999 -7.010 -0.011 MgHCO3+ 1.003e-07 9.783e-08 -6.999 -7.010 -0.011
MgSO4 5.438e-008 5.439e-008 -7.265 -7.264 0.000 MgSO4 5.438e-08 5.439e-08 -7.265 -7.264 0.000
MgCO3 5.929e-010 5.930e-010 -9.227 -9.227 0.000 MgCO3 5.929e-10 5.930e-10 -9.227 -9.227 0.000
MgOH+ 1.541e-010 1.503e-010 -9.812 -9.823 -0.011 MgOH+ 1.541e-10 1.503e-10 -9.812 -9.823 -0.011
Na 1.340e-004 Na 1.340e-04
Na+ 1.340e-004 1.307e-004 -3.873 -3.884 -0.011 Na+ 1.340e-04 1.307e-04 -3.873 -3.884 -0.011
NaHCO3 2.351e-008 2.352e-008 -7.629 -7.629 0.000 NaHCO3 2.351e-08 2.352e-08 -7.629 -7.629 0.000
NaSO4- 5.964e-009 5.816e-009 -8.224 -8.235 -0.011 NaSO4- 5.964e-09 5.816e-09 -8.224 -8.235 -0.011
NaCO3- 5.935e-011 5.788e-011 -10.227 -10.237 -0.011 NaCO3- 5.935e-11 5.788e-11 -10.227 -10.237 -0.011
NaOH 1.368e-012 1.368e-012 -11.864 -11.864 0.000 NaOH 1.368e-12 1.368e-12 -11.864 -11.864 0.000
O(0) 0.000e+000 O(0) 0.000e+00
O2 0.000e+000 0.000e+000 -45.280 -45.280 0.000 O2 0.000e+00 0.000e+00 -45.280 -45.280 0.000
S(6) 1.000e-005 S(6) 1.000e-05
SO4-2 9.813e-006 8.882e-006 -5.008 -5.052 -0.043 SO4-2 9.813e-06 8.882e-06 -5.008 -5.052 -0.043
CaSO4 1.244e-007 1.245e-007 -6.905 -6.905 0.000 CaSO4 1.244e-07 1.245e-07 -6.905 -6.905 0.000
MgSO4 5.438e-008 5.439e-008 -7.265 -7.264 0.000 MgSO4 5.438e-08 5.439e-08 -7.265 -7.264 0.000
NaSO4- 5.964e-009 5.816e-009 -8.224 -8.235 -0.011 NaSO4- 5.964e-09 5.816e-09 -8.224 -8.235 -0.011
KSO4- 1.747e-009 1.704e-009 -8.758 -8.769 -0.011 KSO4- 1.747e-09 1.704e-09 -8.758 -8.769 -0.011
HSO4- 5.587e-010 5.448e-010 -9.253 -9.264 -0.011 HSO4- 5.587e-10 5.448e-10 -9.253 -9.264 -0.011
CaHSO4+ 4.717e-013 4.600e-013 -12.326 -12.337 -0.011 CaHSO4+ 4.717e-13 4.600e-13 -12.326 -12.337 -0.011
Si 2.730e-004 Si 2.730e-04
H4SiO4 2.729e-004 2.730e-004 -3.564 -3.564 0.000 H4SiO4 2.729e-04 2.730e-04 -3.564 -3.564 0.000
H3SiO4- 6.541e-008 6.379e-008 -7.184 -7.195 -0.011 H3SiO4- 6.541e-08 6.379e-08 -7.184 -7.195 -0.011
H2SiO4-2 7.604e-015 6.877e-015 -14.119 -14.163 -0.044 H2SiO4-2 7.604e-15 6.877e-15 -14.119 -14.163 -0.044
------------------------------Saturation indices------------------------------- ------------------------------Saturation indices-------------------------------
@ -181,14 +181,14 @@ Initial solution 2.
Elements Molality Moles Elements Molality Moles
Alkalinity 8.951e-004 8.951e-004 Alkalinity 8.951e-04 8.951e-04
Ca 2.600e-004 2.600e-004 Ca 2.600e-04 2.600e-04
Cl 3.000e-005 3.000e-005 Cl 3.000e-05 3.000e-05
K 4.000e-005 4.000e-005 K 4.000e-05 4.000e-05
Mg 7.101e-005 7.101e-005 Mg 7.101e-05 7.101e-05
Na 2.590e-004 2.590e-004 Na 2.590e-04 2.590e-04
S(6) 2.500e-005 2.500e-005 S(6) 2.500e-05 2.500e-05
Si 4.100e-004 4.100e-004 Si 4.100e-04 4.100e-04
----------------------------Description of solution---------------------------- ----------------------------Description of solution----------------------------
@ -197,76 +197,76 @@ Initial solution 2.
Specific Conductance (uS/cm, 25 oC) = 95 Specific Conductance (uS/cm, 25 oC) = 95
Density (g/cm3) = 0.99711 Density (g/cm3) = 0.99711
Activity of water = 1.000 Activity of water = 1.000
Ionic strength = 1.313e-003 Ionic strength = 1.313e-03
Mass of water (kg) = 1.000e+000 Mass of water (kg) = 1.000e+00
Total carbon (mol/kg) = 1.199e-003 Total carbon (mol/kg) = 1.199e-03
Total CO2 (mol/kg) = 1.199e-003 Total CO2 (mol/kg) = 1.199e-03
Temperature (deg C) = 25.00 Temperature (deg C) = 25.00
Electrical balance (eq) = -1.400e-005 Electrical balance (eq) = -1.400e-05
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.73 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.73
Iterations = 6 Iterations = 6
Total H = 1.110150e+002 Total H = 1.110150e+02
Total O = 5.551125e+001 Total O = 5.551125e+01
----------------------------Distribution of species---------------------------- ----------------------------Distribution of species----------------------------
Log Log Log Log Log Log
Species Molality Activity Molality Activity Gamma Species Molality Activity Molality Activity Gamma
H+ 1.647e-007 1.585e-007 -6.783 -6.800 -0.017 H+ 1.647e-07 1.585e-07 -6.783 -6.800 -0.017
OH- 6.579e-008 6.316e-008 -7.182 -7.200 -0.018 OH- 6.579e-08 6.316e-08 -7.182 -7.200 -0.018
H2O 5.551e+001 1.000e+000 1.744 -0.000 0.000 H2O 5.551e+01 1.000e+00 1.744 -0.000 0.000
C(4) 1.199e-003 C(4) 1.199e-03
HCO3- 8.907e-004 8.559e-004 -3.050 -3.068 -0.017 HCO3- 8.907e-04 8.559e-04 -3.050 -3.068 -0.017
CO2 3.049e-004 3.050e-004 -3.516 -3.516 0.000 CO2 3.049e-04 3.050e-04 -3.516 -3.516 0.000
CaHCO3+ 2.485e-006 2.387e-006 -5.605 -5.622 -0.017 CaHCO3+ 2.485e-06 2.387e-06 -5.605 -5.622 -0.017
MgHCO3+ 6.235e-007 5.987e-007 -6.205 -6.223 -0.018 MgHCO3+ 6.235e-07 5.987e-07 -6.205 -6.223 -0.018
CO3-2 2.971e-007 2.533e-007 -6.527 -6.596 -0.069 CO3-2 2.971e-07 2.533e-07 -6.527 -6.596 -0.069
NaHCO3 1.196e-007 1.197e-007 -6.922 -6.922 0.000 NaHCO3 1.196e-07 1.197e-07 -6.922 -6.922 0.000
CaCO3 9.299e-008 9.302e-008 -7.032 -7.031 0.000 CaCO3 9.299e-08 9.302e-08 -7.032 -7.031 0.000
MgCO3 1.444e-008 1.445e-008 -7.840 -7.840 0.000 MgCO3 1.444e-08 1.445e-08 -7.840 -7.840 0.000
NaCO3- 1.221e-009 1.173e-009 -8.913 -8.931 -0.018 NaCO3- 1.221e-09 1.173e-09 -8.913 -8.931 -0.018
Ca 2.600e-004 Ca 2.600e-04
Ca+2 2.566e-004 2.186e-004 -3.591 -3.660 -0.069 Ca+2 2.566e-04 2.186e-04 -3.591 -3.660 -0.069
CaHCO3+ 2.485e-006 2.387e-006 -5.605 -5.622 -0.017 CaHCO3+ 2.485e-06 2.387e-06 -5.605 -5.622 -0.017
CaSO4 8.841e-007 8.843e-007 -6.054 -6.053 0.000 CaSO4 8.841e-07 8.843e-07 -6.054 -6.053 0.000
CaCO3 9.299e-008 9.302e-008 -7.032 -7.031 0.000 CaCO3 9.299e-08 9.302e-08 -7.032 -7.031 0.000
CaOH+ 2.384e-010 2.289e-010 -9.623 -9.640 -0.018 CaOH+ 2.384e-10 2.289e-10 -9.623 -9.640 -0.018
CaHSO4+ 8.551e-013 8.211e-013 -12.068 -12.086 -0.018 CaHSO4+ 8.551e-13 8.211e-13 -12.068 -12.086 -0.018
Cl 3.000e-005 Cl 3.000e-05
Cl- 3.000e-005 2.880e-005 -4.523 -4.541 -0.018 Cl- 3.000e-05 2.880e-05 -4.523 -4.541 -0.018
H(0) 3.555e-025 H(0) 3.555e-25
H2 1.778e-025 1.778e-025 -24.750 -24.750 0.000 H2 1.778e-25 1.778e-25 -24.750 -24.750 0.000
K 4.000e-005 K 4.000e-05
K+ 4.000e-005 3.840e-005 -4.398 -4.416 -0.018 K+ 4.000e-05 3.840e-05 -4.398 -4.416 -0.018
KSO4- 5.696e-009 5.470e-009 -8.244 -8.262 -0.018 KSO4- 5.696e-09 5.470e-09 -8.244 -8.262 -0.018
KOH 8.398e-013 8.401e-013 -12.076 -12.076 0.000 KOH 8.398e-13 8.401e-13 -12.076 -12.076 0.000
Mg 7.101e-005 Mg 7.101e-05
Mg+2 7.008e-005 5.978e-005 -4.154 -4.223 -0.069 Mg+2 7.008e-05 5.978e-05 -4.154 -4.223 -0.069
MgHCO3+ 6.235e-007 5.987e-007 -6.205 -6.223 -0.018 MgHCO3+ 6.235e-07 5.987e-07 -6.205 -6.223 -0.018
MgSO4 2.840e-007 2.841e-007 -6.547 -6.547 0.000 MgSO4 2.840e-07 2.841e-07 -6.547 -6.547 0.000
MgCO3 1.444e-008 1.445e-008 -7.840 -7.840 0.000 MgCO3 1.444e-08 1.445e-08 -7.840 -7.840 0.000
MgOH+ 1.426e-009 1.370e-009 -8.846 -8.863 -0.018 MgOH+ 1.426e-09 1.370e-09 -8.846 -8.863 -0.018
Na 2.590e-004 Na 2.590e-04
Na+ 2.589e-004 2.486e-004 -3.587 -3.604 -0.018 Na+ 2.589e-04 2.486e-04 -3.587 -3.604 -0.018
NaHCO3 1.196e-007 1.197e-007 -6.922 -6.922 0.000 NaHCO3 1.196e-07 1.197e-07 -6.922 -6.922 0.000
NaSO4- 2.631e-008 2.526e-008 -7.580 -7.598 -0.018 NaSO4- 2.631e-08 2.526e-08 -7.580 -7.598 -0.018
NaCO3- 1.221e-009 1.173e-009 -8.913 -8.931 -0.018 NaCO3- 1.221e-09 1.173e-09 -8.913 -8.931 -0.018
NaOH 1.036e-011 1.036e-011 -10.985 -10.984 0.000 NaOH 1.036e-11 1.036e-11 -10.985 -10.984 0.000
O(0) 0.000e+000 O(0) 0.000e+00
O2 0.000e+000 0.000e+000 -42.880 -42.880 0.000 O2 0.000e+00 0.000e+00 -42.880 -42.880 0.000
S(6) 2.500e-005 S(6) 2.500e-05
SO4-2 2.380e-005 2.027e-005 -4.623 -4.693 -0.070 SO4-2 2.380e-05 2.027e-05 -4.623 -4.693 -0.070
CaSO4 8.841e-007 8.843e-007 -6.054 -6.053 0.000 CaSO4 8.841e-07 8.843e-07 -6.054 -6.053 0.000
MgSO4 2.840e-007 2.841e-007 -6.547 -6.547 0.000 MgSO4 2.840e-07 2.841e-07 -6.547 -6.547 0.000
NaSO4- 2.631e-008 2.526e-008 -7.580 -7.598 -0.018 NaSO4- 2.631e-08 2.526e-08 -7.580 -7.598 -0.018
KSO4- 5.696e-009 5.470e-009 -8.244 -8.262 -0.018 KSO4- 5.696e-09 5.470e-09 -8.244 -8.262 -0.018
HSO4- 3.253e-010 3.124e-010 -9.488 -9.505 -0.018 HSO4- 3.253e-10 3.124e-10 -9.488 -9.505 -0.018
CaHSO4+ 8.551e-013 8.211e-013 -12.068 -12.086 -0.018 CaHSO4+ 8.551e-13 8.211e-13 -12.068 -12.086 -0.018
Si 4.100e-004 Si 4.100e-04
H4SiO4 4.096e-004 4.098e-004 -3.388 -3.387 0.000 H4SiO4 4.096e-04 4.098e-04 -3.388 -3.387 0.000
H3SiO4- 3.970e-007 3.812e-007 -6.401 -6.419 -0.018 H3SiO4- 3.970e-07 3.812e-07 -6.401 -6.419 -0.018
H2SiO4-2 1.924e-013 1.636e-013 -12.716 -12.786 -0.070 H2SiO4-2 1.924e-13 1.636e-13 -12.716 -12.786 -0.070
------------------------------Saturation indices------------------------------- ------------------------------Saturation indices-------------------------------
@ -300,60 +300,60 @@ Using Cl1 standard precision optimization routine.
Solution 1: Solution 1:
Input Delta Input+Delta Input Delta Input+Delta
pH 6.200e+000 + 1.246e-002 = 6.212e+000 pH 6.200e+00 + 1.246e-02 = 6.212e+00
Al 0.000e+000 + 0.000e+000 = 0.000e+000 Al 0.000e+00 + 0.000e+00 = 0.000e+00
Alkalinity 3.280e-004 + 5.500e-006 = 3.335e-004 Alkalinity 3.280e-04 + 5.500e-06 = 3.335e-04
C(-4) 0.000e+000 + 0.000e+000 = 0.000e+000 C(-4) 0.000e+00 + 0.000e+00 = 0.000e+00
C(4) 7.825e-004 + 0.000e+000 = 7.825e-004 C(4) 7.825e-04 + 0.000e+00 = 7.825e-04
Ca 7.800e-005 + -3.900e-006 = 7.410e-005 Ca 7.800e-05 + -3.900e-06 = 7.410e-05
Cl 1.400e-005 + 0.000e+000 = 1.400e-005 Cl 1.400e-05 + 0.000e+00 = 1.400e-05
H(0) 0.000e+000 + 0.000e+000 = 0.000e+000 H(0) 0.000e+00 + 0.000e+00 = 0.000e+00
K 2.800e-005 + -7.000e-007 = 2.730e-005 K 2.800e-05 + -7.000e-07 = 2.730e-05
Mg 2.900e-005 + 0.000e+000 = 2.900e-005 Mg 2.900e-05 + 0.000e+00 = 2.900e-05
Na 1.340e-004 + 0.000e+000 = 1.340e-004 Na 1.340e-04 + 0.000e+00 = 1.340e-04
O(0) 0.000e+000 + 0.000e+000 = 0.000e+000 O(0) 0.000e+00 + 0.000e+00 = 0.000e+00
S(-2) 0.000e+000 + 0.000e+000 = 0.000e+000 S(-2) 0.000e+00 + 0.000e+00 = 0.000e+00
S(6) 1.000e-005 + 0.000e+000 = 1.000e-005 S(6) 1.000e-05 + 0.000e+00 = 1.000e-05
Si 2.730e-004 + 0.000e+000 = 2.730e-004 Si 2.730e-04 + 0.000e+00 = 2.730e-04
Solution 2: Solution 2:
Input Delta Input+Delta Input Delta Input+Delta
pH 6.800e+000 + -3.407e-003 = 6.797e+000 pH 6.800e+00 + -3.407e-03 = 6.797e+00
Al 0.000e+000 + 0.000e+000 = 0.000e+000 Al 0.000e+00 + 0.000e+00 = 0.000e+00
Alkalinity 8.951e-004 + -1.796e-006 = 8.933e-004 Alkalinity 8.951e-04 + -1.796e-06 = 8.933e-04
C(-4) 0.000e+000 + 0.000e+000 = 0.000e+000 C(-4) 0.000e+00 + 0.000e+00 = 0.000e+00
C(4) 1.199e-003 + 0.000e+000 = 1.199e-003 C(4) 1.199e-03 + 0.000e+00 = 1.199e-03
Ca 2.600e-004 + 6.501e-006 = 2.665e-004 Ca 2.600e-04 + 6.501e-06 = 2.665e-04
Cl 3.000e-005 + 0.000e+000 = 3.000e-005 Cl 3.000e-05 + 0.000e+00 = 3.000e-05
H(0) 0.000e+000 + 0.000e+000 = 0.000e+000 H(0) 0.000e+00 + 0.000e+00 = 0.000e+00
K 4.000e-005 + 1.000e-006 = 4.100e-005 K 4.000e-05 + 1.000e-06 = 4.100e-05
Mg 7.101e-005 + -8.979e-007 = 7.011e-005 Mg 7.101e-05 + -8.979e-07 = 7.011e-05
Na 2.590e-004 + 0.000e+000 = 2.590e-004 Na 2.590e-04 + 0.000e+00 = 2.590e-04
O(0) 0.000e+000 + 0.000e+000 = 0.000e+000 O(0) 0.000e+00 + 0.000e+00 = 0.000e+00
S(-2) 0.000e+000 + 0.000e+000 = 0.000e+000 S(-2) 0.000e+00 + 0.000e+00 = 0.000e+00
S(6) 2.500e-005 + 0.000e+000 = 2.500e-005 S(6) 2.500e-05 + 0.000e+00 = 2.500e-05
Si 4.100e-004 + 0.000e+000 = 4.100e-004 Si 4.100e-04 + 0.000e+00 = 4.100e-04
Solution fractions: Minimum Maximum Solution fractions: Minimum Maximum
Solution 1 1.000e+000 1.000e+000 1.000e+000 Solution 1 1.000e+00 1.000e+00 1.000e+00
Solution 2 1.000e+000 1.000e+000 1.000e+000 Solution 2 1.000e+00 1.000e+00 1.000e+00
Phase mole transfers: Minimum Maximum Phase mole transfers: Minimum Maximum
Halite 1.600e-005 1.490e-005 1.710e-005 NaCl Halite 1.600e-05 1.490e-05 1.710e-05 NaCl
Gypsum 1.500e-005 1.413e-005 1.588e-005 CaSO4:2H2O Gypsum 1.500e-05 1.413e-05 1.588e-05 CaSO4:2H2O
Kaolinite -3.392e-005 -5.587e-005 -1.224e-005 Al2Si2O5(OH)4 Kaolinite -3.392e-05 -5.587e-05 -1.224e-05 Al2Si2O5(OH)4
Ca-Montmorillon -8.090e-005 -1.100e-004 -5.154e-005 Ca0.165Al2.33Si3.67O10(OH)2 Ca-Montmorillon -8.090e-05 -1.100e-04 -5.154e-05 Ca0.165Al2.33Si3.67O10(OH)2
CO2(g) 2.928e-004 2.363e-004 3.563e-004 CO2 CO2(g) 2.928e-04 2.363e-04 3.563e-04 CO2
Calcite 1.240e-004 1.007e-004 1.309e-004 CaCO3 Calcite 1.240e-04 1.007e-04 1.309e-04 CaCO3
Biotite 1.370e-005 1.317e-005 1.370e-005 KMg3AlSi3O10(OH)2 Biotite 1.370e-05 1.317e-05 1.370e-05 KMg3AlSi3O10(OH)2
Plagioclase 1.758e-004 1.582e-004 1.935e-004 Na0.62Ca0.38Al1.38Si2.62O8 Plagioclase 1.758e-04 1.582e-04 1.935e-04 Na0.62Ca0.38Al1.38Si2.62O8
Redox mole transfers: Redox mole transfers:
Sum of residuals (epsilons in documentation): 5.574e+000 Sum of residuals (epsilons in documentation): 5.574e+00
Sum of delta/uncertainty limit: 5.574e+000 Sum of delta/uncertainty limit: 5.574e+00
Maximum fractional error in element concentration: 5.000e-002 Maximum fractional error in element concentration: 5.000e-02
Model contains minimum number of phases. Model contains minimum number of phases.
=============================================================================== ===============================================================================
@ -362,60 +362,60 @@ Model contains minimum number of phases.
Solution 1: Solution 1:
Input Delta Input+Delta Input Delta Input+Delta
pH 6.200e+000 + 1.246e-002 = 6.212e+000 pH 6.200e+00 + 1.246e-02 = 6.212e+00
Al 0.000e+000 + 0.000e+000 = 0.000e+000 Al 0.000e+00 + 0.000e+00 = 0.000e+00
Alkalinity 3.280e-004 + 5.500e-006 = 3.335e-004 Alkalinity 3.280e-04 + 5.500e-06 = 3.335e-04
C(-4) 0.000e+000 + 0.000e+000 = 0.000e+000 C(-4) 0.000e+00 + 0.000e+00 = 0.000e+00
C(4) 7.825e-004 + 0.000e+000 = 7.825e-004 C(4) 7.825e-04 + 0.000e+00 = 7.825e-04
Ca 7.800e-005 + -3.900e-006 = 7.410e-005 Ca 7.800e-05 + -3.900e-06 = 7.410e-05
Cl 1.400e-005 + 0.000e+000 = 1.400e-005 Cl 1.400e-05 + 0.000e+00 = 1.400e-05
H(0) 0.000e+000 + 0.000e+000 = 0.000e+000 H(0) 0.000e+00 + 0.000e+00 = 0.000e+00
K 2.800e-005 + -7.000e-007 = 2.730e-005 K 2.800e-05 + -7.000e-07 = 2.730e-05
Mg 2.900e-005 + 0.000e+000 = 2.900e-005 Mg 2.900e-05 + 0.000e+00 = 2.900e-05
Na 1.340e-004 + 0.000e+000 = 1.340e-004 Na 1.340e-04 + 0.000e+00 = 1.340e-04
O(0) 0.000e+000 + 0.000e+000 = 0.000e+000 O(0) 0.000e+00 + 0.000e+00 = 0.000e+00
S(-2) 0.000e+000 + 0.000e+000 = 0.000e+000 S(-2) 0.000e+00 + 0.000e+00 = 0.000e+00
S(6) 1.000e-005 + 0.000e+000 = 1.000e-005 S(6) 1.000e-05 + 0.000e+00 = 1.000e-05
Si 2.730e-004 + 0.000e+000 = 2.730e-004 Si 2.730e-04 + 0.000e+00 = 2.730e-04
Solution 2: Solution 2:
Input Delta Input+Delta Input Delta Input+Delta
pH 6.800e+000 + -3.407e-003 = 6.797e+000 pH 6.800e+00 + -3.407e-03 = 6.797e+00
Al 0.000e+000 + 0.000e+000 = 0.000e+000 Al 0.000e+00 + 0.000e+00 = 0.000e+00
Alkalinity 8.951e-004 + -1.796e-006 = 8.933e-004 Alkalinity 8.951e-04 + -1.796e-06 = 8.933e-04
C(-4) 0.000e+000 + 0.000e+000 = 0.000e+000 C(-4) 0.000e+00 + 0.000e+00 = 0.000e+00
C(4) 1.199e-003 + 0.000e+000 = 1.199e-003 C(4) 1.199e-03 + 0.000e+00 = 1.199e-03
Ca 2.600e-004 + 6.501e-006 = 2.665e-004 Ca 2.600e-04 + 6.501e-06 = 2.665e-04
Cl 3.000e-005 + 0.000e+000 = 3.000e-005 Cl 3.000e-05 + 0.000e+00 = 3.000e-05
H(0) 0.000e+000 + 0.000e+000 = 0.000e+000 H(0) 0.000e+00 + 0.000e+00 = 0.000e+00
K 4.000e-005 + 1.000e-006 = 4.100e-005 K 4.000e-05 + 1.000e-06 = 4.100e-05
Mg 7.101e-005 + -8.980e-007 = 7.011e-005 Mg 7.101e-05 + -8.980e-07 = 7.011e-05
Na 2.590e-004 + 0.000e+000 = 2.590e-004 Na 2.590e-04 + 0.000e+00 = 2.590e-04
O(0) 0.000e+000 + 0.000e+000 = 0.000e+000 O(0) 0.000e+00 + 0.000e+00 = 0.000e+00
S(-2) 0.000e+000 + 0.000e+000 = 0.000e+000 S(-2) 0.000e+00 + 0.000e+00 = 0.000e+00
S(6) 2.500e-005 + 0.000e+000 = 2.500e-005 S(6) 2.500e-05 + 0.000e+00 = 2.500e-05
Si 4.100e-004 + 0.000e+000 = 4.100e-004 Si 4.100e-04 + 0.000e+00 = 4.100e-04
Solution fractions: Minimum Maximum Solution fractions: Minimum Maximum
Solution 1 1.000e+000 1.000e+000 1.000e+000 Solution 1 1.000e+00 1.000e+00 1.000e+00
Solution 2 1.000e+000 1.000e+000 1.000e+000 Solution 2 1.000e+00 1.000e+00 1.000e+00
Phase mole transfers: Minimum Maximum Phase mole transfers: Minimum Maximum
Halite 1.600e-005 1.490e-005 1.710e-005 NaCl Halite 1.600e-05 1.490e-05 1.710e-05 NaCl
Gypsum 1.500e-005 1.413e-005 1.588e-005 CaSO4:2H2O Gypsum 1.500e-05 1.413e-05 1.588e-05 CaSO4:2H2O
Kaolinite -1.282e-004 -1.403e-004 -1.159e-004 Al2Si2O5(OH)4 Kaolinite -1.282e-04 -1.403e-04 -1.159e-04 Al2Si2O5(OH)4
CO2(g) 3.061e-004 2.490e-004 3.703e-004 CO2 CO2(g) 3.061e-04 2.490e-04 3.703e-04 CO2
Calcite 1.106e-004 8.680e-005 1.182e-004 CaCO3 Calcite 1.106e-04 8.680e-05 1.182e-04 CaCO3
Chalcedony -1.084e-004 -1.473e-004 -6.906e-005 SiO2 Chalcedony -1.084e-04 -1.473e-04 -6.906e-05 SiO2
Biotite 1.370e-005 1.317e-005 1.370e-005 KMg3AlSi3O10(OH)2 Biotite 1.370e-05 1.317e-05 1.370e-05 KMg3AlSi3O10(OH)2
Plagioclase 1.758e-004 1.582e-004 1.935e-004 Na0.62Ca0.38Al1.38Si2.62O8 Plagioclase 1.758e-04 1.582e-04 1.935e-04 Na0.62Ca0.38Al1.38Si2.62O8
Redox mole transfers: Redox mole transfers:
Sum of residuals (epsilons in documentation): 5.574e+000 Sum of residuals (epsilons in documentation): 5.574e+00
Sum of delta/uncertainty limit: 5.574e+000 Sum of delta/uncertainty limit: 5.574e+00
Maximum fractional error in element concentration: 5.000e-002 Maximum fractional error in element concentration: 5.000e-02
Model contains minimum number of phases. Model contains minimum number of phases.
=============================================================================== ===============================================================================

218
ex17.out
View File

@ -78,14 +78,14 @@ Initial solution 1. Black Sea water
Elements Molality Moles Elements Molality Moles
Br 4.401e-004 4.401e-004 Br 4.401e-04 4.401e-04
C 8.426e-004 8.426e-004 Equilibrium with CO2(g) C 8.426e-04 8.426e-04 Equilibrium with CO2(g)
Ca 5.841e-003 5.841e-003 Ca 5.841e-03 5.841e-03
Cl 2.930e-001 2.930e-001 Cl 2.930e-01 2.930e-01
K 4.960e-003 4.960e-003 K 4.960e-03 4.960e-03
Mg 2.807e-002 2.807e-002 Mg 2.807e-02 2.807e-02
Na 2.544e-001 2.544e-001 Na 2.544e-01 2.544e-01
S(6) 1.527e-002 1.527e-002 S(6) 1.527e-02 1.527e-02
----------------------------Description of solution---------------------------- ----------------------------Description of solution----------------------------
@ -94,19 +94,19 @@ Initial solution 1. Black Sea water
Specific Conductance (uS/cm, 25 oC) = 31361 Specific Conductance (uS/cm, 25 oC) = 31361
Density (g/cm3) = 1.01093 Density (g/cm3) = 1.01093
Activity of water = 0.990 Activity of water = 0.990
Ionic strength = 3.752e-001 Ionic strength = 3.752e-01
Mass of water (kg) = 1.000e+000 Mass of water (kg) = 1.000e+00
Total alkalinity (eq/kg) = 8.703e-004 Total alkalinity (eq/kg) = 8.703e-04
Total CO2 (mol/kg) = 8.426e-004 Total CO2 (mol/kg) = 8.426e-04
Temperature (deg C) = 25.00 Temperature (deg C) = 25.00
Electrical balance (eq) = 2.248e-003 Electrical balance (eq) = 2.248e-03
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.34 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.34
Iterations = 9 Iterations = 9
Gamma iterations = 3 Gamma iterations = 3
Osmotic coefficient = 0.89852 Osmotic coefficient = 0.89852
Density of water = 0.99706 Density of water = 0.99706
Total H = 1.110132e+002 Total H = 1.110132e+02
Total O = 5.556982e+001 Total O = 5.556982e+01
----------------------------Distribution of species---------------------------- ----------------------------Distribution of species----------------------------
@ -114,33 +114,33 @@ Initial solution 1. Black Sea water
MacInnes Log Log Log MacInnes Log Log Log
Species Molality Activity Molality Activity Gamma Species Molality Activity Molality Activity Gamma
OH- 1.658e-006 9.949e-007 -5.780 -6.002 -0.222 OH- 1.658e-06 9.949e-07 -5.780 -6.002 -0.222
H+ 1.290e-008 1.000e-008 -7.889 -8.000 -0.111 H+ 1.290e-08 1.000e-08 -7.889 -8.000 -0.111
H2O 5.551e+001 9.903e-001 1.744 -0.004 0.000 H2O 5.551e+01 9.903e-01 1.744 -0.004 0.000
Br 4.401e-004 Br 4.401e-04
Br- 4.401e-004 3.004e-004 -3.356 -3.522 -0.166 Br- 4.401e-04 3.004e-04 -3.356 -3.522 -0.166
C(4) 8.426e-004 C(4) 8.426e-04
HCO3- 7.975e-004 4.902e-004 -3.098 -3.310 -0.211 HCO3- 7.975e-04 4.902e-04 -3.098 -3.310 -0.211
CO3-2 1.598e-005 2.244e-006 -4.796 -5.649 -0.853 CO3-2 1.598e-05 2.244e-06 -4.796 -5.649 -0.853
MgCO3 1.429e-005 1.429e-005 -4.845 -4.845 0.000 MgCO3 1.429e-05 1.429e-05 -4.845 -4.845 0.000
CO2 1.010e-005 1.077e-005 -4.996 -4.968 0.028 CO2 1.010e-05 1.077e-05 -4.996 -4.968 0.028
CaCO3 4.680e-006 4.680e-006 -5.330 -5.330 0.000 CaCO3 4.680e-06 4.680e-06 -5.330 -5.330 0.000
Ca 5.841e-003 Ca 5.841e-03
Ca+2 5.837e-003 1.472e-003 -2.234 -2.832 -0.598 Ca+2 5.837e-03 1.472e-03 -2.234 -2.832 -0.598
CaCO3 4.680e-006 4.680e-006 -5.330 -5.330 0.000 CaCO3 4.680e-06 4.680e-06 -5.330 -5.330 0.000
Cl 2.930e-001 Cl 2.930e-01
Cl- 2.930e-001 1.960e-001 -0.533 -0.708 -0.175 Cl- 2.930e-01 1.960e-01 -0.533 -0.708 -0.175
K 4.960e-003 K 4.960e-03
K+ 4.960e-003 3.418e-003 -2.305 -2.466 -0.162 K+ 4.960e-03 3.418e-03 -2.305 -2.466 -0.162
Mg 2.807e-002 Mg 2.807e-02
Mg+2 2.805e-002 7.511e-003 -1.552 -2.124 -0.572 Mg+2 2.805e-02 7.511e-03 -1.552 -2.124 -0.572
MgCO3 1.429e-005 1.429e-005 -4.845 -4.845 0.000 MgCO3 1.429e-05 1.429e-05 -4.845 -4.845 0.000
MgOH+ 1.244e-006 1.155e-006 -5.905 -5.938 -0.032 MgOH+ 1.244e-06 1.155e-06 -5.905 -5.938 -0.032
Na 2.544e-001 Na 2.544e-01
Na+ 2.544e-001 1.836e-001 -0.595 -0.736 -0.142 Na+ 2.544e-01 1.836e-01 -0.595 -0.736 -0.142
S(6) 1.527e-002 S(6) 1.527e-02
SO4-2 1.527e-002 2.118e-003 -1.816 -2.674 -0.858 SO4-2 1.527e-02 2.118e-03 -1.816 -2.674 -0.858
HSO4- 2.952e-009 2.017e-009 -8.530 -8.695 -0.165 HSO4- 2.952e-09 2.017e-09 -8.530 -8.695 -0.165
------------------------------Saturation indices------------------------------- ------------------------------Saturation indices-------------------------------
@ -193,13 +193,13 @@ Initial solution 2. Composition during halite precipitation
Elements Molality Moles Elements Molality Moles
Br 3.785e-002 3.785e-002 Br 3.785e-02 3.785e-02
C 6.839e-006 6.839e-006 Equilibrium with CO2(g) C 6.839e-06 6.839e-06 Equilibrium with CO2(g)
Cl 6.004e+000 6.004e+000 Cl 6.004e+00 6.004e+00
K 4.578e-001 4.578e-001 K 4.578e-01 4.578e-01
Mg 2.354e+000 2.354e+000 Mg 2.354e+00 2.354e+00
Na 2.720e+000 2.720e+000 Na 2.720e+00 2.720e+00
S(6) 8.986e-001 8.986e-001 S(6) 8.986e-01 8.986e-01
----------------------------Description of solution---------------------------- ----------------------------Description of solution----------------------------
@ -208,19 +208,19 @@ Initial solution 2. Composition during halite precipitation
Specific Conductance (uS/cm, 25 oC) = 598313 Specific Conductance (uS/cm, 25 oC) = 598313
Density (g/cm3) = 1.29844 Density (g/cm3) = 1.29844
Activity of water = 0.681 Activity of water = 0.681
Ionic strength = 1.111e+001 Ionic strength = 1.111e+01
Mass of water (kg) = 1.000e+000 Mass of water (kg) = 1.000e+00
Total alkalinity (eq/kg) = 7.718e-006 Total alkalinity (eq/kg) = 7.718e-06
Total CO2 (mol/kg) = 6.839e-006 Total CO2 (mol/kg) = 6.839e-06
Temperature (deg C) = 25.00 Temperature (deg C) = 25.00
Electrical balance (eq) = 4.629e-002 Electrical balance (eq) = 4.629e-02
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.29 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.29
Iterations = 17 Iterations = 17
Gamma iterations = 7 Gamma iterations = 7
Osmotic coefficient = 1.71249 Osmotic coefficient = 1.71249
Density of water = 0.99706 Density of water = 0.99706
Total H = 1.110124e+002 Total H = 1.110124e+02
Total O = 5.910065e+001 Total O = 5.910065e+01
----------------------------Distribution of species---------------------------- ----------------------------Distribution of species----------------------------
@ -228,29 +228,29 @@ Initial solution 2. Composition during halite precipitation
MacInnes Log Log Log MacInnes Log Log Log
Species Molality Activity Molality Activity Gamma Species Molality Activity Molality Activity Gamma
H+ 5.602e-007 1.000e-005 -6.252 -5.000 1.252 H+ 5.602e-07 1.000e-05 -6.252 -5.000 1.252
OH- 1.202e-008 6.837e-010 -7.920 -9.165 -1.245 OH- 1.202e-08 6.837e-10 -7.920 -9.165 -1.245
H2O 5.551e+001 6.806e-001 1.744 -0.167 0.000 H2O 5.551e+01 6.806e-01 1.744 -0.167 0.000
Br 3.785e-002 Br 3.785e-02
Br- 3.785e-002 4.950e-002 -1.422 -1.305 0.116 Br- 3.785e-02 4.950e-02 -1.422 -1.305 0.116
C(4) 6.839e-006 C(4) 6.839e-06
HCO3- 4.519e-006 3.369e-007 -5.345 -6.473 -1.128 HCO3- 4.519e-06 3.369e-07 -5.345 -6.473 -1.128
CO2 2.248e-006 1.077e-005 -5.648 -4.968 0.680 CO2 2.248e-06 1.077e-05 -5.648 -4.968 0.680
MgCO3 6.655e-008 6.655e-008 -7.177 -7.177 0.000 MgCO3 6.655e-08 6.655e-08 -7.177 -7.177 0.000
CO3-2 5.827e-009 1.543e-012 -8.235 -11.812 -3.577 CO3-2 5.827e-09 1.543e-12 -8.235 -11.812 -3.577
Cl 6.004e+000 Cl 6.004e+00
Cl- 6.004e+000 4.512e+000 0.778 0.654 -0.124 Cl- 6.004e+00 4.512e+00 0.778 0.654 -0.124
K 4.578e-001 K 4.578e-01
K+ 4.578e-001 4.785e-001 -0.339 -0.320 0.019 K+ 4.578e-01 4.785e-01 -0.339 -0.320 0.019
Mg 2.354e+000 Mg 2.354e+00
Mg+2 2.354e+000 5.091e+001 0.372 1.707 1.335 Mg+2 2.354e+00 5.091e+01 0.372 1.707 1.335
MgOH+ 6.271e-006 5.379e-006 -5.203 -5.269 -0.067 MgOH+ 6.271e-06 5.379e-06 -5.203 -5.269 -0.067
MgCO3 6.655e-008 6.655e-008 -7.177 -7.177 0.000 MgCO3 6.655e-08 6.655e-08 -7.177 -7.177 0.000
Na 2.720e+000 Na 2.720e+00
Na+ 2.720e+000 8.671e+000 0.435 0.938 0.503 Na+ 2.720e+00 8.671e+00 0.435 0.938 0.503
S(6) 8.986e-001 S(6) 8.986e-01
SO4-2 8.986e-001 2.260e-003 -0.046 -2.646 -2.599 SO4-2 8.986e-01 2.260e-03 -0.046 -2.646 -2.599
HSO4- 2.669e-006 2.153e-006 -5.574 -5.667 -0.093 HSO4- 2.669e-06 2.153e-06 -5.574 -5.667 -0.093
------------------------------Saturation indices------------------------------- ------------------------------Saturation indices-------------------------------
@ -294,47 +294,47 @@ Using Cl1 standard precision optimization routine.
Solution 1: Black Sea water Solution 1: Black Sea water
Input Delta Input+Delta Input Delta Input+Delta
pH 8.000e+000 + 0.000e+000 = 8.000e+000 pH 8.000e+00 + 0.000e+00 = 8.000e+00
Alkalinity 8.703e-004 + 0.000e+000 = 8.703e-004 Alkalinity 8.703e-04 + 0.000e+00 = 8.703e-04
Br 4.401e-004 + 0.000e+000 = 4.401e-004 Br 4.401e-04 + 0.000e+00 = 4.401e-04
C(4) 8.426e-004 + 0.000e+000 = 8.426e-004 C(4) 8.426e-04 + 0.000e+00 = 8.426e-04
Ca 5.841e-003 + 0.000e+000 = 5.841e-003 Ca 5.841e-03 + 0.000e+00 = 5.841e-03
Cl 2.930e-001 + 8.006e-004 = 2.938e-001 Cl 2.930e-01 + 8.006e-04 = 2.938e-01
K 4.960e-003 + 1.034e-004 = 5.063e-003 K 4.960e-03 + 1.034e-04 = 5.063e-03
Mg 2.807e-002 + -7.018e-004 = 2.737e-002 Mg 2.807e-02 + -7.018e-04 = 2.737e-02
Na 2.544e-001 + 0.000e+000 = 2.544e-001 Na 2.544e-01 + 0.000e+00 = 2.544e-01
S(6) 1.527e-002 + 7.390e-005 = 1.534e-002 S(6) 1.527e-02 + 7.390e-05 = 1.534e-02
Solution 2: Composition during halite precipitation Solution 2: Composition during halite precipitation
Input Delta Input+Delta Input Delta Input+Delta
pH 5.000e+000 + 1.177e-011 = 5.000e+000 pH 5.000e+00 + 6.124e-12 = 5.000e+00
Alkalinity 7.718e-006 + 0.000e+000 = 7.718e-006 Alkalinity 7.718e-06 + 0.000e+00 = 7.718e-06
Br 3.785e-002 + 9.440e-004 = 3.880e-002 Br 3.785e-02 + 9.440e-04 = 3.880e-02
C(4) 6.839e-006 + 0.000e+000 = 6.839e-006 C(4) 6.839e-06 + 0.000e+00 = 6.839e-06
Ca 0.000e+000 + 0.000e+000 = 0.000e+000 Ca 0.000e+00 + 0.000e+00 = 0.000e+00
Cl 6.004e+000 + 1.501e-001 = 6.154e+000 Cl 6.004e+00 + 1.501e-01 = 6.154e+00
K 4.578e-001 + -1.144e-002 = 4.464e-001 K 4.578e-01 + -1.144e-02 = 4.464e-01
Mg 2.354e+000 + 5.884e-002 = 2.413e+000 Mg 2.354e+00 + 5.884e-02 = 2.413e+00
Na 2.720e+000 + -4.642e-002 = 2.674e+000 Na 2.720e+00 + -4.642e-02 = 2.674e+00
S(6) 8.986e-001 + -2.247e-002 = 8.761e-001 S(6) 8.986e-01 + -2.247e-02 = 8.761e-01
Solution fractions: Minimum Maximum Solution fractions: Minimum Maximum
Solution 1 8.815e+001 8.780e+001 8.815e+001 Solution 1 8.815e+01 8.780e+01 8.815e+01
Solution 2 1.000e+000 1.000e+000 1.000e+000 Solution 2 1.000e+00 1.000e+00 1.000e+00
Phase mole transfers: Minimum Maximum Phase mole transfers: Minimum Maximum
H2O(g) -4.837e+003 -4.817e+003 -4.817e+003 H2O H2O(g) -4.837e+03 -4.817e+03 -4.817e+03 H2O
Calcite -3.836e-002 -3.932e-002 -3.725e-002 CaCO3 Calcite -3.836e-02 -3.932e-02 -3.725e-02 CaCO3
CO2(g) -3.591e-002 -3.705e-002 -3.463e-002 CO2 CO2(g) -3.591e-02 -3.705e-02 -3.463e-02 CO2
Gypsum -4.766e-001 -4.904e-001 -4.609e-001 CaSO4:2H2O Gypsum -4.766e-01 -4.904e-01 -4.609e-01 CaSO4:2H2O
Halite -1.975e+001 -2.033e+001 -1.901e+001 NaCl Halite -1.975e+01 -2.033e+01 -1.901e+01 NaCl
Redox mole transfers: Redox mole transfers:
Sum of residuals (epsilons in documentation): 1.941e+002 Sum of residuals (epsilons in documentation): 1.941e+02
Sum of delta/uncertainty limit: 7.817e+000 Sum of delta/uncertainty limit: 7.817e+00
Maximum fractional error in element concentration: 2.500e-002 Maximum fractional error in element concentration: 2.500e-02
Model contains minimum number of phases. Model contains minimum number of phases.
=============================================================================== ===============================================================================

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@ -104,14 +104,14 @@ Initial solution 1. Recharge number 3
Elements Molality Moles Elements Molality Moles
C(4) 4.300e-003 4.300e-003 C(4) 4.300e-03 4.300e-03
Ca 1.200e-003 1.200e-003 Ca 1.200e-03 1.200e-03
Cl 2.000e-005 2.000e-005 Cl 2.000e-05 2.000e-05
Fe(2) 1.000e-006 1.000e-006 Fe(2) 1.000e-06 1.000e-06
K 2.000e-005 2.000e-005 K 2.000e-05 2.000e-05
Mg 1.010e-003 1.010e-003 Mg 1.010e-03 1.010e-03
Na 2.000e-005 2.000e-005 Na 2.000e-05 2.000e-05
S(6) 1.600e-004 1.600e-004 S(6) 1.600e-04 1.600e-04
----------------------------Description of solution---------------------------- ----------------------------Description of solution----------------------------
@ -120,85 +120,85 @@ Initial solution 1. Recharge number 3
Specific Conductance (uS/cm, 9 oC) = 272 Specific Conductance (uS/cm, 9 oC) = 272
Density (g/cm3) = 1.00000 Density (g/cm3) = 1.00000
Activity of water = 1.000 Activity of water = 1.000
Ionic strength = 6.543e-003 Ionic strength = 6.543e-03
Mass of water (kg) = 1.000e+000 Mass of water (kg) = 1.000e+00
Total alkalinity (eq/kg) = 4.016e-003 Total alkalinity (eq/kg) = 4.016e-03
Total CO2 (mol/kg) = 4.300e-003 Total CO2 (mol/kg) = 4.300e-03
Temperature (deg C) = 9.90 Temperature (deg C) = 9.90
Electrical balance (eq) = 1.061e-004 Electrical balance (eq) = 1.061e-04
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 1.24 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 1.24
Iterations = 8 Iterations = 8
Total H = 1.110164e+002 Total H = 1.110164e+02
Total O = 5.551946e+001 Total O = 5.551946e+01
----------------------------Distribution of species---------------------------- ----------------------------Distribution of species----------------------------
Log Log Log Log Log Log
Species Molality Activity Molality Activity Gamma Species Molality Activity Molality Activity Gamma
OH- 1.120e-007 1.029e-007 -6.951 -6.988 -0.037 OH- 1.120e-07 1.029e-07 -6.951 -6.988 -0.037
H+ 3.038e-008 2.818e-008 -7.517 -7.550 -0.033 H+ 3.038e-08 2.818e-08 -7.517 -7.550 -0.033
H2O 5.551e+001 9.999e-001 1.744 -0.000 0.000 H2O 5.551e+01 9.999e-01 1.744 -0.000 0.000
C(4) 4.300e-003 C(4) 4.300e-03
HCO3- 3.929e-003 3.623e-003 -2.406 -2.441 -0.035 HCO3- 3.929e-03 3.623e-03 -2.406 -2.441 -0.035
CO2 2.970e-004 2.974e-004 -3.527 -3.527 0.001 CO2 2.970e-04 2.974e-04 -3.527 -3.527 0.001
MgHCO3+ 3.098e-005 2.850e-005 -4.509 -4.545 -0.036 MgHCO3+ 3.098e-05 2.850e-05 -4.509 -4.545 -0.036
CaHCO3+ 3.027e-005 2.792e-005 -4.519 -4.554 -0.035 CaHCO3+ 3.027e-05 2.792e-05 -4.519 -4.554 -0.035
CO3-2 5.765e-006 4.168e-006 -5.239 -5.380 -0.141 CO3-2 5.765e-06 4.168e-06 -5.239 -5.380 -0.141
CaCO3 4.727e-006 4.734e-006 -5.325 -5.325 0.001 CaCO3 4.727e-06 4.734e-06 -5.325 -5.325 0.001
MgCO3 2.208e-006 2.211e-006 -5.656 -5.655 0.001 MgCO3 2.208e-06 2.211e-06 -5.656 -5.655 0.001
FeHCO3+ 2.086e-007 1.919e-007 -6.681 -6.717 -0.036 FeHCO3+ 2.086e-07 1.919e-07 -6.681 -6.717 -0.036
FeCO3 5.289e-008 5.297e-008 -7.277 -7.276 0.001 FeCO3 5.289e-08 5.297e-08 -7.277 -7.276 0.001
NaHCO3 3.737e-008 3.742e-008 -7.428 -7.427 0.001 NaHCO3 3.737e-08 3.742e-08 -7.428 -7.427 0.001
NaCO3- 6.948e-010 6.391e-010 -9.158 -9.194 -0.036 NaCO3- 6.948e-10 6.391e-10 -9.158 -9.194 -0.036
Ca 1.200e-003 Ca 1.200e-03
Ca+2 1.151e-003 8.317e-004 -2.939 -3.080 -0.141 Ca+2 1.151e-03 8.317e-04 -2.939 -3.080 -0.141
CaHCO3+ 3.027e-005 2.792e-005 -4.519 -4.554 -0.035 CaHCO3+ 3.027e-05 2.792e-05 -4.519 -4.554 -0.035
CaSO4 1.393e-005 1.395e-005 -4.856 -4.855 0.001 CaSO4 1.393e-05 1.395e-05 -4.856 -4.855 0.001
CaCO3 4.727e-006 4.734e-006 -5.325 -5.325 0.001 CaCO3 4.727e-06 4.734e-06 -5.325 -5.325 0.001
CaOH+ 5.323e-009 4.897e-009 -8.274 -8.310 -0.036 CaOH+ 5.323e-09 4.897e-09 -8.274 -8.310 -0.036
CaHSO4+ 2.136e-012 1.965e-012 -11.670 -11.707 -0.036 CaHSO4+ 2.136e-12 1.965e-12 -11.670 -11.707 -0.036
Cl 2.000e-005 Cl 2.000e-05
Cl- 2.000e-005 1.838e-005 -4.699 -4.736 -0.037 Cl- 2.000e-05 1.838e-05 -4.699 -4.736 -0.037
FeCl+ 1.461e-011 1.344e-011 -10.835 -10.872 -0.036 FeCl+ 1.461e-11 1.344e-11 -10.835 -10.872 -0.036
Fe(2) 1.000e-006 Fe(2) 1.000e-06
Fe+2 7.296e-007 5.298e-007 -6.137 -6.276 -0.139 Fe+2 7.296e-07 5.298e-07 -6.137 -6.276 -0.139
FeHCO3+ 2.086e-007 1.919e-007 -6.681 -6.717 -0.036 FeHCO3+ 2.086e-07 1.919e-07 -6.681 -6.717 -0.036
FeCO3 5.289e-008 5.297e-008 -7.277 -7.276 0.001 FeCO3 5.289e-08 5.297e-08 -7.277 -7.276 0.001
FeSO4 6.861e-009 6.871e-009 -8.164 -8.163 0.001 FeSO4 6.861e-09 6.871e-09 -8.164 -8.163 0.001
FeOH+ 1.969e-009 1.811e-009 -8.706 -8.742 -0.036 FeOH+ 1.969e-09 1.811e-09 -8.706 -8.742 -0.036
FeCl+ 1.461e-011 1.344e-011 -10.835 -10.872 -0.036 FeCl+ 1.461e-11 1.344e-11 -10.835 -10.872 -0.036
FeHSO4+ 1.361e-015 1.252e-015 -14.866 -14.903 -0.036 FeHSO4+ 1.361e-15 1.252e-15 -14.866 -14.903 -0.036
H(0) 1.316e-018 H(0) 1.316e-18
H2 6.579e-019 6.588e-019 -18.182 -18.181 0.001 H2 6.579e-19 6.588e-19 -18.182 -18.181 0.001
K 2.000e-005 K 2.000e-05
K+ 1.999e-005 1.837e-005 -4.699 -4.736 -0.037 K+ 1.999e-05 1.837e-05 -4.699 -4.736 -0.037
KSO4- 1.037e-008 9.538e-009 -7.984 -8.021 -0.036 KSO4- 1.037e-08 9.538e-09 -7.984 -8.021 -0.036
KOH 2.256e-012 2.260e-012 -11.647 -11.646 0.001 KOH 2.256e-12 2.260e-12 -11.647 -11.646 0.001
Mg 1.010e-003 Mg 1.010e-03
Mg+2 9.662e-004 7.011e-004 -3.015 -3.154 -0.139 Mg+2 9.662e-04 7.011e-04 -3.015 -3.154 -0.139
MgHCO3+ 3.098e-005 2.850e-005 -4.509 -4.545 -0.036 MgHCO3+ 3.098e-05 2.850e-05 -4.509 -4.545 -0.036
MgSO4 1.063e-005 1.064e-005 -4.974 -4.973 0.001 MgSO4 1.063e-05 1.064e-05 -4.974 -4.973 0.001
MgCO3 2.208e-006 2.211e-006 -5.656 -5.655 0.001 MgCO3 2.208e-06 2.211e-06 -5.656 -5.655 0.001
MgOH+ 2.335e-008 2.148e-008 -7.632 -7.668 -0.036 MgOH+ 2.335e-08 2.148e-08 -7.632 -7.668 -0.036
Na 2.000e-005 Na 2.000e-05
Na+ 1.995e-005 1.837e-005 -4.700 -4.736 -0.036 Na+ 1.995e-05 1.837e-05 -4.700 -4.736 -0.036
NaHCO3 3.737e-008 3.742e-008 -7.428 -7.427 0.001 NaHCO3 3.737e-08 3.742e-08 -7.428 -7.427 0.001
NaSO4- 8.826e-009 8.119e-009 -8.054 -8.090 -0.036 NaSO4- 8.826e-09 8.119e-09 -8.054 -8.090 -0.036
NaCO3- 6.948e-010 6.391e-010 -9.158 -9.194 -0.036 NaCO3- 6.948e-10 6.391e-10 -9.158 -9.194 -0.036
NaOH 4.299e-012 4.306e-012 -11.367 -11.366 0.001 NaOH 4.299e-12 4.306e-12 -11.367 -11.366 0.001
O(0) 0.000e+000 O(0) 0.000e+00
O2 0.000e+000 0.000e+000 -61.151 -61.151 0.001 O2 0.000e+00 0.000e+00 -61.151 -61.151 0.001
S(6) 1.600e-004 S(6) 1.600e-04
SO4-2 1.354e-004 9.754e-005 -3.868 -4.011 -0.142 SO4-2 1.354e-04 9.754e-05 -3.868 -4.011 -0.142
CaSO4 1.393e-005 1.395e-005 -4.856 -4.855 0.001 CaSO4 1.393e-05 1.395e-05 -4.856 -4.855 0.001
MgSO4 1.063e-005 1.064e-005 -4.974 -4.973 0.001 MgSO4 1.063e-05 1.064e-05 -4.974 -4.973 0.001
KSO4- 1.037e-008 9.538e-009 -7.984 -8.021 -0.036 KSO4- 1.037e-08 9.538e-09 -7.984 -8.021 -0.036
NaSO4- 8.826e-009 8.119e-009 -8.054 -8.090 -0.036 NaSO4- 8.826e-09 8.119e-09 -8.054 -8.090 -0.036
FeSO4 6.861e-009 6.871e-009 -8.164 -8.163 0.001 FeSO4 6.861e-09 6.871e-09 -8.164 -8.163 0.001
HSO4- 2.136e-010 1.965e-010 -9.670 -9.707 -0.036 HSO4- 2.136e-10 1.965e-10 -9.670 -9.707 -0.036
CaHSO4+ 2.136e-012 1.965e-012 -11.670 -11.707 -0.036 CaHSO4+ 2.136e-12 1.965e-12 -11.670 -11.707 -0.036
FeHSO4+ 1.361e-015 1.252e-015 -14.866 -14.903 -0.036 FeHSO4+ 1.361e-15 1.252e-15 -14.866 -14.903 -0.036
------------------------------Saturation indices------------------------------- ------------------------------Saturation indices-------------------------------
@ -226,15 +226,15 @@ Initial solution 2. Mysse
Elements Molality Moles Elements Molality Moles
C(4) 6.870e-003 6.870e-003 C(4) 6.870e-03 6.870e-03
Ca 1.128e-002 1.128e-002 Ca 1.128e-02 1.128e-02
Cl 1.785e-002 1.785e-002 Cl 1.785e-02 1.785e-02
Fe(2) 4.000e-007 4.000e-007 Fe(2) 4.000e-07 4.000e-07
K 2.540e-003 2.540e-003 K 2.540e-03 2.540e-03
Mg 4.540e-003 4.540e-003 Mg 4.540e-03 4.540e-03
Na 3.189e-002 3.189e-002 Na 3.189e-02 3.189e-02
S(-2) 2.600e-004 2.600e-004 S(-2) 2.600e-04 2.600e-04
S(6) 1.986e-002 1.986e-002 S(6) 1.986e-02 1.986e-02
----------------------------Description of solution---------------------------- ----------------------------Description of solution----------------------------
@ -243,16 +243,16 @@ Initial solution 2. Mysse
Specific Conductance (uS/cm, 63 oC) = 9972 Specific Conductance (uS/cm, 63 oC) = 9972
Density (g/cm3) = 0.98563 Density (g/cm3) = 0.98563
Activity of water = 0.999 Activity of water = 0.999
Ionic strength = 7.256e-002 Ionic strength = 7.256e-02
Mass of water (kg) = 1.000e+000 Mass of water (kg) = 1.000e+00
Total alkalinity (eq/kg) = 5.258e-003 Total alkalinity (eq/kg) = 5.258e-03
Total CO2 (mol/kg) = 6.870e-003 Total CO2 (mol/kg) = 6.870e-03
Temperature (deg C) = 63.00 Temperature (deg C) = 63.00
Electrical balance (eq) = 3.242e-003 Electrical balance (eq) = 3.242e-03
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 3.20 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 3.20
Iterations = 8 Iterations = 8
Total H = 1.110179e+002 Total H = 1.110179e+02
Total O = 5.560448e+001 Total O = 5.560448e+01
---------------------------------Redox couples--------------------------------- ---------------------------------Redox couples---------------------------------
@ -265,77 +265,77 @@ Initial solution 2. Mysse
Log Log Log Log Log Log
Species Molality Activity Molality Activity Gamma Species Molality Activity Molality Activity Gamma
OH- 5.726e-007 4.419e-007 -6.242 -6.355 -0.112 OH- 5.726e-07 4.419e-07 -6.242 -6.355 -0.112
H+ 2.963e-007 2.455e-007 -6.528 -6.610 -0.082 H+ 2.963e-07 2.455e-07 -6.528 -6.610 -0.082
H2O 5.551e+001 9.985e-001 1.744 -0.001 0.000 H2O 5.551e+01 9.985e-01 1.744 -0.001 0.000
C(4) 6.870e-003 C(4) 6.870e-03
HCO3- 4.711e-003 3.746e-003 -2.327 -2.426 -0.100 HCO3- 4.711e-03 3.746e-03 -2.327 -2.426 -0.100
CO2 1.784e-003 1.814e-003 -2.749 -2.741 0.007 CO2 1.784e-03 1.814e-03 -2.749 -2.741 0.007
CaHCO3+ 2.347e-004 1.867e-004 -3.629 -3.729 -0.100 CaHCO3+ 2.347e-04 1.867e-04 -3.629 -3.729 -0.100
MgHCO3+ 6.578e-005 5.169e-005 -4.182 -4.287 -0.105 MgHCO3+ 6.578e-05 5.169e-05 -4.182 -4.287 -0.105
NaHCO3 5.046e-005 5.131e-005 -4.297 -4.290 0.007 NaHCO3 5.046e-05 5.131e-05 -4.297 -4.290 0.007
CaCO3 1.560e-005 1.586e-005 -4.807 -4.800 0.007 CaCO3 1.560e-05 1.586e-05 -4.807 -4.800 0.007
NaCO3- 3.512e-006 2.760e-006 -5.454 -5.559 -0.105 NaCO3- 3.512e-06 2.760e-06 -5.454 -5.559 -0.105
CO3-2 2.780e-006 1.112e-006 -5.556 -5.954 -0.398 CO3-2 2.780e-06 1.112e-06 -5.556 -5.954 -0.398
MgCO3 1.642e-006 1.670e-006 -5.784 -5.777 0.007 MgCO3 1.642e-06 1.670e-06 -5.784 -5.777 0.007
FeHCO3+ 1.177e-008 9.248e-009 -7.929 -8.034 -0.105 FeHCO3+ 1.177e-08 9.248e-09 -7.929 -8.034 -0.105
FeCO3 6.474e-010 6.583e-010 -9.189 -9.182 0.007 FeCO3 6.474e-10 6.583e-10 -9.189 -9.182 0.007
Ca 1.128e-002 Ca 1.128e-02
Ca+2 7.217e-003 2.899e-003 -2.142 -2.538 -0.396 Ca+2 7.217e-03 2.899e-03 -2.142 -2.538 -0.396
CaSO4 3.813e-003 3.877e-003 -2.419 -2.411 0.007 CaSO4 3.813e-03 3.877e-03 -2.419 -2.411 0.007
CaHCO3+ 2.347e-004 1.867e-004 -3.629 -3.729 -0.100 CaHCO3+ 2.347e-04 1.867e-04 -3.629 -3.729 -0.100
CaCO3 1.560e-005 1.586e-005 -4.807 -4.800 0.007 CaCO3 1.560e-05 1.586e-05 -4.807 -4.800 0.007
CaHSO4+ 1.322e-008 1.039e-008 -7.879 -7.983 -0.105 CaHSO4+ 1.322e-08 1.039e-08 -7.879 -7.983 -0.105
CaOH+ 2.491e-009 1.957e-009 -8.604 -8.708 -0.105 CaOH+ 2.491e-09 1.957e-09 -8.604 -8.708 -0.105
Cl 1.785e-002 Cl 1.785e-02
Cl- 1.785e-002 1.381e-002 -1.748 -1.860 -0.111 Cl- 1.785e-02 1.381e-02 -1.748 -1.860 -0.111
FeCl+ 5.988e-010 4.706e-010 -9.223 -9.327 -0.105 FeCl+ 5.988e-10 4.706e-10 -9.223 -9.327 -0.105
Fe(2) 4.000e-007 Fe(2) 4.000e-07
Fe(HS)2 2.830e-007 2.878e-007 -6.548 -6.541 0.007 Fe(HS)2 2.830e-07 2.878e-07 -6.548 -6.541 0.007
Fe+2 5.978e-008 2.468e-008 -7.223 -7.608 -0.384 Fe+2 5.978e-08 2.468e-08 -7.223 -7.608 -0.384
FeSO4 3.911e-008 3.977e-008 -7.408 -7.400 0.007 FeSO4 3.911e-08 3.977e-08 -7.408 -7.400 0.007
FeHCO3+ 1.177e-008 9.248e-009 -7.929 -8.034 -0.105 FeHCO3+ 1.177e-08 9.248e-09 -7.929 -8.034 -0.105
Fe(HS)3- 4.561e-009 3.585e-009 -8.341 -8.446 -0.105 Fe(HS)3- 4.561e-09 3.585e-09 -8.341 -8.446 -0.105
FeCO3 6.474e-010 6.583e-010 -9.189 -9.182 0.007 FeCO3 6.474e-10 6.583e-10 -9.189 -9.182 0.007
FeCl+ 5.988e-010 4.706e-010 -9.223 -9.327 -0.105 FeCl+ 5.988e-10 4.706e-10 -9.223 -9.327 -0.105
FeOH+ 5.014e-010 3.940e-010 -9.300 -9.404 -0.105 FeOH+ 5.014e-10 3.940e-10 -9.300 -9.404 -0.105
FeHSO4+ 1.125e-013 8.843e-014 -12.949 -13.053 -0.105 FeHSO4+ 1.125e-13 8.843e-14 -12.949 -13.053 -0.105
H(0) 1.190e-009 H(0) 1.190e-09
H2 5.948e-010 6.048e-010 -9.226 -9.218 0.007 H2 5.948e-10 6.048e-10 -9.226 -9.218 0.007
K 2.540e-003 K 2.540e-03
K+ 2.394e-003 1.852e-003 -2.621 -2.732 -0.111 K+ 2.394e-03 1.852e-03 -2.621 -2.732 -0.111
KSO4- 1.459e-004 1.146e-004 -3.836 -3.941 -0.105 KSO4- 1.459e-04 1.146e-04 -3.836 -3.941 -0.105
KOH 2.569e-011 2.613e-011 -10.590 -10.583 0.007 KOH 2.569e-11 2.613e-11 -10.590 -10.583 0.007
Mg 4.540e-003 Mg 4.540e-03
MgSO4 2.360e-003 2.399e-003 -2.627 -2.620 0.007 MgSO4 2.360e-03 2.399e-03 -2.627 -2.620 0.007
Mg+2 2.113e-003 8.783e-004 -2.675 -3.056 -0.381 Mg+2 2.113e-03 8.783e-04 -2.675 -3.056 -0.381
MgHCO3+ 6.578e-005 5.169e-005 -4.182 -4.287 -0.105 MgHCO3+ 6.578e-05 5.169e-05 -4.182 -4.287 -0.105
MgCO3 1.642e-006 1.670e-006 -5.784 -5.777 0.007 MgCO3 1.642e-06 1.670e-06 -5.784 -5.777 0.007
MgOH+ 3.463e-007 2.721e-007 -6.461 -6.565 -0.105 MgOH+ 3.463e-07 2.721e-07 -6.461 -6.565 -0.105
Na 3.189e-002 Na 3.189e-02
Na+ 3.090e-002 2.435e-002 -1.510 -1.613 -0.103 Na+ 3.090e-02 2.435e-02 -1.510 -1.613 -0.103
NaSO4- 9.408e-004 7.393e-004 -3.027 -3.131 -0.105 NaSO4- 9.408e-04 7.393e-04 -3.027 -3.131 -0.105
NaHCO3 5.046e-005 5.131e-005 -4.297 -4.290 0.007 NaHCO3 5.046e-05 5.131e-05 -4.297 -4.290 0.007
NaCO3- 3.512e-006 2.760e-006 -5.454 -5.559 -0.105 NaCO3- 3.512e-06 2.760e-06 -5.454 -5.559 -0.105
NaOH 6.437e-010 6.545e-010 -9.191 -9.184 0.007 NaOH 6.437e-10 6.545e-10 -9.191 -9.184 0.007
O(0) 0.000e+000 O(0) 0.000e+00
O2 0.000e+000 0.000e+000 -63.075 -63.067 0.007 O2 0.000e+00 0.000e+00 -63.075 -63.067 0.007
S(-2) 2.600e-004 S(-2) 2.600e-04
HS- 1.482e-004 1.144e-004 -3.829 -3.942 -0.112 HS- 1.482e-04 1.144e-04 -3.829 -3.942 -0.112
H2S 1.112e-004 1.131e-004 -3.954 -3.947 0.007 H2S 1.112e-04 1.131e-04 -3.954 -3.947 0.007
Fe(HS)2 2.830e-007 2.878e-007 -6.548 -6.541 0.007 Fe(HS)2 2.830e-07 2.878e-07 -6.548 -6.541 0.007
Fe(HS)3- 4.561e-009 3.585e-009 -8.341 -8.446 -0.105 Fe(HS)3- 4.561e-09 3.585e-09 -8.341 -8.446 -0.105
S-2 1.449e-009 5.662e-010 -8.839 -9.247 -0.408 S-2 1.449e-09 5.662e-10 -8.839 -9.247 -0.408
S(6) 1.986e-002 S(6) 1.986e-02
SO4-2 1.260e-002 4.892e-003 -1.900 -2.311 -0.411 SO4-2 1.260e-02 4.892e-03 -1.900 -2.311 -0.411
CaSO4 3.813e-003 3.877e-003 -2.419 -2.411 0.007 CaSO4 3.813e-03 3.877e-03 -2.419 -2.411 0.007
MgSO4 2.360e-003 2.399e-003 -2.627 -2.620 0.007 MgSO4 2.360e-03 2.399e-03 -2.627 -2.620 0.007
NaSO4- 9.408e-004 7.393e-004 -3.027 -3.131 -0.105 NaSO4- 9.408e-04 7.393e-04 -3.027 -3.131 -0.105
KSO4- 1.459e-004 1.146e-004 -3.836 -3.941 -0.105 KSO4- 1.459e-04 1.146e-04 -3.836 -3.941 -0.105
HSO4- 3.792e-007 2.980e-007 -6.421 -6.526 -0.105 HSO4- 3.792e-07 2.980e-07 -6.421 -6.526 -0.105
FeSO4 3.911e-008 3.977e-008 -7.408 -7.400 0.007 FeSO4 3.911e-08 3.977e-08 -7.408 -7.400 0.007
CaHSO4+ 1.322e-008 1.039e-008 -7.879 -7.983 -0.105 CaHSO4+ 1.322e-08 1.039e-08 -7.879 -7.983 -0.105
FeHSO4+ 1.125e-013 8.843e-014 -12.949 -13.053 -0.105 FeHSO4+ 1.125e-13 8.843e-14 -12.949 -13.053 -0.105
------------------------------Saturation indices------------------------------- ------------------------------Saturation indices-------------------------------
@ -371,22 +371,22 @@ Using Cl1 standard precision optimization routine.
Solution 1: Recharge number 3 Solution 1: Recharge number 3
Input Delta Input+Delta Input Delta Input+Delta
pH 7.550e+000 + 0.000e+000 = 7.550e+000 pH 7.550e+00 + 0.000e+00 = 7.550e+00
Alkalinity 4.016e-003 + 0.000e+000 = 4.016e-003 Alkalinity 4.016e-03 + 0.000e+00 = 4.016e-03
C(-4) 0.000e+000 + 0.000e+000 = 0.000e+000 C(-4) 0.000e+00 + 0.000e+00 = 0.000e+00
C(4) 4.300e-003 + 0.000e+000 = 4.300e-003 C(4) 4.300e-03 + 0.000e+00 = 4.300e-03
Ca 1.200e-003 + -5.306e-005 = 1.147e-003 Ca 1.200e-03 + -5.306e-05 = 1.147e-03
Cl 2.000e-005 + 0.000e+000 = 2.000e-005 Cl 2.000e-05 + 0.000e+00 = 2.000e-05
Fe(2) 1.000e-006 + 0.000e+000 = 1.000e-006 Fe(2) 1.000e-06 + 0.000e+00 = 1.000e-06
Fe(3) 0.000e+000 + 0.000e+000 = 0.000e+000 Fe(3) 0.000e+00 + 0.000e+00 = 0.000e+00
H(0) 0.000e+000 + 0.000e+000 = 0.000e+000 H(0) 0.000e+00 + 0.000e+00 = 0.000e+00
K 2.000e-005 + 0.000e+000 = 2.000e-005 K 2.000e-05 + 0.000e+00 = 2.000e-05
Mg 1.010e-003 + 0.000e+000 = 1.010e-003 Mg 1.010e-03 + 0.000e+00 = 1.010e-03
Na 2.000e-005 + 0.000e+000 = 2.000e-005 Na 2.000e-05 + 0.000e+00 = 2.000e-05
O(0) 0.000e+000 + 0.000e+000 = 0.000e+000 O(0) 0.000e+00 + 0.000e+00 = 0.000e+00
S(-2) 0.000e+000 + 0.000e+000 = 0.000e+000 S(-2) 0.000e+00 + 0.000e+00 = 0.000e+00
S(6) 1.600e-004 + 0.000e+000 = 1.600e-004 S(6) 1.600e-04 + 0.000e+00 = 1.600e-04
X 0.000e+000 + 0.000e+000 = 0.000e+000 X 0.000e+00 + 0.000e+00 = 0.000e+00
13C(-4) -7 + 0 = -7 13C(-4) -7 + 0 = -7
13C(4) -7 + 0 = -7 13C(4) -7 + 0 = -7
34S(-2) 9.7 + 0 = 9.7 34S(-2) 9.7 + 0 = 9.7
@ -395,22 +395,22 @@ Solution 1: Recharge number 3
Solution 2: Mysse Solution 2: Mysse
Input Delta Input+Delta Input Delta Input+Delta
pH 6.610e+000 + 0.000e+000 = 6.610e+000 pH 6.610e+00 + 0.000e+00 = 6.610e+00
Alkalinity 5.258e-003 + 0.000e+000 = 5.258e-003 Alkalinity 5.258e-03 + 0.000e+00 = 5.258e-03
C(-4) 0.000e+000 + 0.000e+000 = 0.000e+000 C(-4) 0.000e+00 + 0.000e+00 = 0.000e+00
C(4) 6.870e-003 + 0.000e+000 = 6.870e-003 C(4) 6.870e-03 + 0.000e+00 = 6.870e-03
Ca 1.128e-002 + 0.000e+000 = 1.128e-002 Ca 1.128e-02 + 0.000e+00 = 1.128e-02
Cl 1.785e-002 + 0.000e+000 = 1.785e-002 Cl 1.785e-02 + 0.000e+00 = 1.785e-02
Fe(2) 4.000e-007 + 0.000e+000 = 4.000e-007 Fe(2) 4.000e-07 + 0.000e+00 = 4.000e-07
Fe(3) 0.000e+000 + 0.000e+000 = 0.000e+000 Fe(3) 0.000e+00 + 0.000e+00 = 0.000e+00
H(0) 1.190e-009 + 0.000e+000 = 1.190e-009 H(0) 1.190e-09 + 0.000e+00 = 1.190e-09
K 2.540e-003 + 0.000e+000 = 2.540e-003 K 2.540e-03 + 0.000e+00 = 2.540e-03
Mg 4.540e-003 + 0.000e+000 = 4.540e-003 Mg 4.540e-03 + 0.000e+00 = 4.540e-03
Na 3.189e-002 + -1.256e-003 = 3.063e-002 Na 3.189e-02 + -1.256e-03 = 3.063e-02
O(0) 0.000e+000 + 0.000e+000 = 0.000e+000 O(0) 0.000e+00 + 0.000e+00 = 0.000e+00
S(-2) 2.600e-004 + 0.000e+000 = 2.600e-004 S(-2) 2.600e-04 + 0.000e+00 = 2.600e-04
S(6) 1.986e-002 + 9.930e-004 = 2.085e-002 S(6) 1.986e-02 + 9.930e-04 = 2.085e-02
X 0.000e+000 + 0.000e+000 = 0.000e+000 X 0.000e+00 + 0.000e+00 = 0.000e+00
13C(-4) -2.3 + 0 = -2.3 13C(-4) -2.3 + 0 = -2.3
13C(4) -2.3 + 0 = -2.3 13C(4) -2.3 + 0 = -2.3
34S(-2) -22.1 + 0 = -22.1 34S(-2) -22.1 + 0 = -22.1
@ -424,29 +424,29 @@ Isotopic composition of phases:
34S Pyrite -22 + 2 = -20 34S Pyrite -22 + 2 = -20
Solution fractions: Minimum Maximum Solution fractions: Minimum Maximum
Solution 1 1.000e+000 9.999e-001 1.000e+000 Solution 1 1.000e+00 9.999e-01 1.000e+00
Solution 2 1.000e+000 1.000e+000 1.000e+000 Solution 2 1.000e+00 1.000e+00 1.000e+00
Phase mole transfers: Minimum Maximum Phase mole transfers: Minimum Maximum
Dolomite 1.118e-002 1.022e-002 1.193e-002 CaMg(CO3)2 Dolomite 1.118e-02 1.022e-02 1.193e-02 CaMg(CO3)2
Calcite -2.393e-002 -2.567e-002 -2.144e-002 CaCO3 Calcite -2.393e-02 -2.567e-02 -2.144e-02 CaCO3
Anhydrite 2.288e-002 2.076e-002 2.348e-002 CaSO4 Anhydrite 2.288e-02 2.076e-02 2.348e-02 CaSO4
CH2O 4.138e-003 3.003e-003 5.273e-003 CH2O CH2O 4.138e-03 3.003e-03 5.273e-03 CH2O
Goethite 9.642e-004 6.533e-004 1.275e-003 FeOOH Goethite 9.642e-04 6.533e-04 1.275e-03 FeOOH
Pyrite -9.648e-004 -1.274e-003 -6.553e-004 FeS2 Pyrite -9.648e-04 -1.274e-03 -6.553e-04 FeS2
MgX2 -7.652e-003 -8.576e-003 -6.972e-003 MgX2 MgX2 -7.652e-03 -8.576e-03 -6.972e-03 MgX2
NaX 1.530e-002 1.394e-002 1.715e-002 NaX NaX 1.530e-02 1.394e-02 1.715e-02 NaX
Halite 1.531e-002 1.429e-002 1.633e-002 NaCl Halite 1.531e-02 1.429e-02 1.633e-02 NaCl
Sylvite 2.520e-003 2.392e-003 2.648e-003 KCl Sylvite 2.520e-03 2.392e-03 2.648e-03 KCl
Redox mole transfers: Redox mole transfers:
Fe(3) 9.642e-004 Fe(3) 9.642e-04
H(0) -1.190e-009 H(0) -1.190e-09
S(-2) -2.190e-003 S(-2) -2.190e-03
Sum of residuals (epsilons in documentation): 2.684e+000 Sum of residuals (epsilons in documentation): 2.684e+00
Sum of delta/uncertainty limit: 4.711e+000 Sum of delta/uncertainty limit: 4.711e+00
Maximum fractional error in element concentration: 5.000e-002 Maximum fractional error in element concentration: 5.000e-02
Model contains minimum number of phases. Model contains minimum number of phases.
=============================================================================== ===============================================================================
@ -455,22 +455,22 @@ Model contains minimum number of phases.
Solution 1: Recharge number 3 Solution 1: Recharge number 3
Input Delta Input+Delta Input Delta Input+Delta
pH 7.550e+000 + 0.000e+000 = 7.550e+000 pH 7.550e+00 + 0.000e+00 = 7.550e+00
Alkalinity 4.016e-003 + 1.061e-004 = 4.122e-003 Alkalinity 4.016e-03 + 1.061e-04 = 4.122e-03
C(-4) 0.000e+000 + 0.000e+000 = 0.000e+000 C(-4) 0.000e+00 + 0.000e+00 = 0.000e+00
C(4) 4.300e-003 + 1.136e-004 = 4.414e-003 C(4) 4.300e-03 + 1.136e-04 = 4.414e-03
Ca 1.200e-003 + 0.000e+000 = 1.200e-003 Ca 1.200e-03 + 0.000e+00 = 1.200e-03
Cl 2.000e-005 + 0.000e+000 = 2.000e-005 Cl 2.000e-05 + 0.000e+00 = 2.000e-05
Fe(2) 1.000e-006 + 0.000e+000 = 1.000e-006 Fe(2) 1.000e-06 + 0.000e+00 = 1.000e-06
Fe(3) 0.000e+000 + 0.000e+000 = 0.000e+000 Fe(3) 0.000e+00 + 0.000e+00 = 0.000e+00
H(0) 0.000e+000 + 0.000e+000 = 0.000e+000 H(0) 0.000e+00 + 0.000e+00 = 0.000e+00
K 2.000e-005 + 0.000e+000 = 2.000e-005 K 2.000e-05 + 0.000e+00 = 2.000e-05
Mg 1.010e-003 + 0.000e+000 = 1.010e-003 Mg 1.010e-03 + 0.000e+00 = 1.010e-03
Na 2.000e-005 + 0.000e+000 = 2.000e-005 Na 2.000e-05 + 0.000e+00 = 2.000e-05
O(0) 0.000e+000 + 0.000e+000 = 0.000e+000 O(0) 0.000e+00 + 0.000e+00 = 0.000e+00
S(-2) 0.000e+000 + 0.000e+000 = 0.000e+000 S(-2) 0.000e+00 + 0.000e+00 = 0.000e+00
S(6) 1.600e-004 + 0.000e+000 = 1.600e-004 S(6) 1.600e-04 + 0.000e+00 = 1.600e-04
X 0.000e+000 + 0.000e+000 = 0.000e+000 X 0.000e+00 + 0.000e+00 = 0.000e+00
13C(-4) -7 + 0 = -7 13C(-4) -7 + 0 = -7
13C(4) -7 + 0 = -7 13C(4) -7 + 0 = -7
34S(-2) 9.7 + 0 = 9.7 34S(-2) 9.7 + 0 = 9.7
@ -479,22 +479,22 @@ Solution 1: Recharge number 3
Solution 2: Mysse Solution 2: Mysse
Input Delta Input+Delta Input Delta Input+Delta
pH 6.610e+000 + 5.872e-002 = 6.669e+000 pH 6.610e+00 + 5.872e-02 = 6.669e+00
Alkalinity 5.258e-003 + 0.000e+000 = 5.258e-003 Alkalinity 5.258e-03 + 0.000e+00 = 5.258e-03
C(-4) 0.000e+000 + 0.000e+000 = 0.000e+000 C(-4) 0.000e+00 + 0.000e+00 = 0.000e+00
C(4) 6.870e-003 + -2.581e-004 = 6.612e-003 C(4) 6.870e-03 + -2.581e-04 = 6.612e-03
Ca 1.128e-002 + 0.000e+000 = 1.128e-002 Ca 1.128e-02 + 0.000e+00 = 1.128e-02
Cl 1.785e-002 + 0.000e+000 = 1.785e-002 Cl 1.785e-02 + 0.000e+00 = 1.785e-02
Fe(2) 4.000e-007 + 0.000e+000 = 4.000e-007 Fe(2) 4.000e-07 + 0.000e+00 = 4.000e-07
Fe(3) 0.000e+000 + 0.000e+000 = 0.000e+000 Fe(3) 0.000e+00 + 0.000e+00 = 0.000e+00
H(0) 1.190e-009 + 0.000e+000 = 1.190e-009 H(0) 1.190e-09 + 0.000e+00 = 1.190e-09
K 2.540e-003 + 0.000e+000 = 2.540e-003 K 2.540e-03 + 0.000e+00 = 2.540e-03
Mg 4.540e-003 + 0.000e+000 = 4.540e-003 Mg 4.540e-03 + 0.000e+00 = 4.540e-03
Na 3.189e-002 + -1.256e-003 = 3.063e-002 Na 3.189e-02 + -1.256e-03 = 3.063e-02
O(0) 0.000e+000 + 0.000e+000 = 0.000e+000 O(0) 0.000e+00 + 0.000e+00 = 0.000e+00
S(-2) 2.600e-004 + 0.000e+000 = 2.600e-004 S(-2) 2.600e-04 + 0.000e+00 = 2.600e-04
S(6) 1.986e-002 + 9.930e-004 = 2.085e-002 S(6) 1.986e-02 + 9.930e-04 = 2.085e-02
X 0.000e+000 + 0.000e+000 = 0.000e+000 X 0.000e+00 + 0.000e+00 = 0.000e+00
13C(-4) -2.3 + 0 = -2.3 13C(-4) -2.3 + 0 = -2.3
13C(4) -2.3 + 0 = -2.3 13C(4) -2.3 + 0 = -2.3
34S(-2) -22.1 + 0 = -22.1 34S(-2) -22.1 + 0 = -22.1
@ -508,29 +508,29 @@ Isotopic composition of phases:
34S Pyrite -22 + 2 = -20 34S Pyrite -22 + 2 = -20
Solution fractions: Minimum Maximum Solution fractions: Minimum Maximum
Solution 1 1.000e+000 1.000e+000 1.000e+000 Solution 1 1.000e+00 1.000e+00 1.000e+00
Solution 2 1.000e+000 1.000e+000 1.000e+000 Solution 2 1.000e+00 1.000e+00 1.000e+00
Phase mole transfers: Minimum Maximum Phase mole transfers: Minimum Maximum
Dolomite 5.443e-003 4.995e-003 5.838e-003 CaMg(CO3)2 Dolomite 5.443e-03 4.995e-03 5.838e-03 CaMg(CO3)2
Calcite -1.214e-002 -1.333e-002 -1.098e-002 CaCO3 Calcite -1.214e-02 -1.333e-02 -1.098e-02 CaCO3
Anhydrite 2.252e-002 2.076e-002 2.297e-002 CaSO4 Anhydrite 2.252e-02 2.076e-02 2.297e-02 CaSO4
CH2O 3.455e-003 3.003e-003 4.297e-003 CH2O CH2O 3.455e-03 3.003e-03 4.297e-03 CH2O
Goethite 7.821e-004 6.533e-004 1.015e-003 FeOOH Goethite 7.821e-04 6.533e-04 1.015e-03 FeOOH
Pyrite -7.827e-004 -1.014e-003 -6.553e-004 FeS2 Pyrite -7.827e-04 -1.014e-03 -6.553e-04 FeS2
Ca.75Mg.25X2 -7.652e-003 -8.576e-003 -6.972e-003 Ca.75Mg.25X2 Ca.75Mg.25X2 -7.652e-03 -8.576e-03 -6.972e-03 Ca.75Mg.25X2
NaX 1.530e-002 1.394e-002 1.715e-002 NaX NaX 1.530e-02 1.394e-02 1.715e-02 NaX
Halite 1.531e-002 1.429e-002 1.633e-002 NaCl Halite 1.531e-02 1.429e-02 1.633e-02 NaCl
Sylvite 2.520e-003 2.392e-003 2.648e-003 KCl Sylvite 2.520e-03 2.392e-03 2.648e-03 KCl
Redox mole transfers: Redox mole transfers:
Fe(3) 7.821e-004 Fe(3) 7.821e-04
H(0) -1.190e-009 H(0) -1.190e-09
S(-2) -1.825e-003 S(-2) -1.825e-03
Sum of residuals (epsilons in documentation): 4.207e+000 Sum of residuals (epsilons in documentation): 4.207e+00
Sum of delta/uncertainty limit: 8.243e+000 Sum of delta/uncertainty limit: 8.243e+00
Maximum fractional error in element concentration: 5.000e-002 Maximum fractional error in element concentration: 5.000e-02
Model contains minimum number of phases. Model contains minimum number of phases.
=============================================================================== ===============================================================================

144
ex19b.out
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@ -21,147 +21,3 @@ Reading input data for simulation 1.
PRINT PRINT
reset false reset false
ug Cd/L = 1.1240e-001 ug Cd/g = 0 Kd (L/kg) = 0 ug Cd/g in DL = 0
Excess meq Ca in DL = 0
Excess meq Cl in DL = 0
Surface charge = 0
Total Ca in/on organic matter = 0 CEC on OM = WARNING: Zero divide in BASIC line
70 print 'Total Ca in/on organic matter =', H_Ca, ' CEC on OM =' H_Ca*200/TOT("X"), '%.'.
Value set to zero.
0 %.
ug Cd/L = 1.1240e-001 ug Cd/g = 0 Kd (L/kg) = 0 ug Cd/g in DL = 0
Excess meq Ca in DL = 0
Excess meq Cl in DL = 0
Surface charge = 0
Total Ca in/on organic matter = 0 CEC on OM = 0 %.
ug Cd/L = 1.1240e-001 ug Cd/g = 2.0656e-001 Kd (L/kg) = 1.8377e+003 ug Cd/g in DL = 8.5965e-004
Excess meq Ca in DL = 1.3252e-005
Excess meq Cl in DL = -1.8096e-006
Surface charge = -1.5066e-005
Total Ca in/on organic matter = 1.2742e-006 CEC on OM = WARNING: Zero divide in BASIC line
70 print 'Total Ca in/on organic matter =', H_Ca, ' CEC on OM =' H_Ca*200/TOT("X"), '%.'.
Value set to zero.
0 %.
ug Cd/L = 4.1729e+000 ug Cd/g = 7.2862e+000 Kd (L/kg) = 1.7461e+003 ug Cd/g in DL = 3.1881e-002
Excess meq Ca in DL = 1.3235e-005
Excess meq Cl in DL = -1.8090e-006
Surface charge = -1.5049e-005
Total Ca in/on organic matter = 1.2674e-006 CEC on OM = 4.5508e+000 %.
ug Cd/L = 8.4940e+000 ug Cd/g = 1.4099e+001 Kd (L/kg) = 1.6599e+003 ug Cd/g in DL = 6.4826e-002
Excess meq Ca in DL = 1.3218e-005
Excess meq Cl in DL = -1.8084e-006
Surface charge = -1.5031e-005
Total Ca in/on organic matter = 1.2609e-006 CEC on OM = 4.5275e+000 %.
ug Cd/L = 1.3075e+001 ug Cd/g = 2.0645e+001 Kd (L/kg) = 1.5790e+003 ug Cd/g in DL = 9.9680e-002
Excess meq Ca in DL = 1.3201e-005
Excess meq Cl in DL = -1.8077e-006
Surface charge = -1.5014e-005
Total Ca in/on organic matter = 1.2547e-006 CEC on OM = 4.5052e+000 %.
ug Cd/L = 1.7912e+001 ug Cd/g = 2.6929e+001 Kd (L/kg) = 1.5034e+003 ug Cd/g in DL = 1.3641e-001
Excess meq Ca in DL = 1.3183e-005
Excess meq Cl in DL = -1.8071e-006
Surface charge = -1.4996e-005
Total Ca in/on organic matter = 1.2487e-006 CEC on OM = 4.4838e+000 %.
ug Cd/L = 2.3001e+001 ug Cd/g = 3.2956e+001 Kd (L/kg) = 1.4328e+003 ug Cd/g in DL = 1.7497e-001
Excess meq Ca in DL = 1.3165e-005
Excess meq Cl in DL = -1.8064e-006
Surface charge = -1.4978e-005
Total Ca in/on organic matter = 1.2430e-006 CEC on OM = 4.4634e+000 %.
ug Cd/L = 2.8332e+001 ug Cd/g = 3.8733e+001 Kd (L/kg) = 1.3671e+003 ug Cd/g in DL = 2.1528e-001
Excess meq Ca in DL = 1.3147e-005
Excess meq Cl in DL = -1.8057e-006
Surface charge = -1.4959e-005
Total Ca in/on organic matter = 1.2376e-006 CEC on OM = 4.4438e+000 %.
ug Cd/L = 3.3897e+001 ug Cd/g = 4.4272e+001 Kd (L/kg) = 1.3061e+003 ug Cd/g in DL = 2.5728e-001
Excess meq Ca in DL = 1.3129e-005
Excess meq Cl in DL = -1.8051e-006
Surface charge = -1.4941e-005
Total Ca in/on organic matter = 1.2324e-006 CEC on OM = 4.4251e+000 %.
ug Cd/L = 3.9685e+001 ug Cd/g = 4.9582e+001 Kd (L/kg) = 1.2494e+003 ug Cd/g in DL = 3.0087e-001
Excess meq Ca in DL = 1.3110e-005
Excess meq Cl in DL = -1.8044e-006
Surface charge = -1.4923e-005
Total Ca in/on organic matter = 1.2274e-006 CEC on OM = 4.4072e+000 %.
ug Cd/L = 4.5685e+001 ug Cd/g = 5.4675e+001 Kd (L/kg) = 1.1968e+003 ug Cd/g in DL = 3.4597e-001
Excess meq Ca in DL = 1.3092e-005
Excess meq Cl in DL = -1.8037e-006
Surface charge = -1.4904e-005
Total Ca in/on organic matter = 1.2226e-006 CEC on OM = 4.3901e+000 %.
ug Cd/L = 5.1885e+001 ug Cd/g = 5.9563e+001 Kd (L/kg) = 1.1480e+003 ug Cd/g in DL = 3.9247e-001
Excess meq Ca in DL = 1.3073e-005
Excess meq Cl in DL = -1.8030e-006
Surface charge = -1.4886e-005
Total Ca in/on organic matter = 1.2181e-006 CEC on OM = 4.3737e+000 %.
ug Cd/L = 5.8272e+001 ug Cd/g = 6.4259e+001 Kd (L/kg) = 1.1027e+003 ug Cd/g in DL = 4.4029e-001
Excess meq Ca in DL = 1.3055e-005
Excess meq Cl in DL = -1.8023e-006
Surface charge = -1.4867e-005
Total Ca in/on organic matter = 1.2137e-006 CEC on OM = 4.3580e+000 %.
ug Cd/L = 6.4836e+001 ug Cd/g = 6.8775e+001 Kd (L/kg) = 1.0608e+003 ug Cd/g in DL = 4.8933e-001
Excess meq Ca in DL = 1.3036e-005
Excess meq Cl in DL = -1.8016e-006
Surface charge = -1.4849e-005
Total Ca in/on organic matter = 1.2095e-006 CEC on OM = 4.3429e+000 %.
ug Cd/L = 7.1564e+001 ug Cd/g = 7.3122e+001 Kd (L/kg) = 1.0218e+003 ug Cd/g in DL = 5.3950e-001
Excess meq Ca in DL = 1.3018e-005
Excess meq Cl in DL = -1.8009e-006
Surface charge = -1.4830e-005
Total Ca in/on organic matter = 1.2055e-006 CEC on OM = 4.3284e+000 %.
ug Cd/L = 7.8445e+001 ug Cd/g = 7.7312e+001 Kd (L/kg) = 9.8555e+002 ug Cd/g in DL = 5.9071e-001
Excess meq Ca in DL = 1.3000e-005
Excess meq Cl in DL = -1.8003e-006
Surface charge = -1.4812e-005
Total Ca in/on organic matter = 1.2016e-006 CEC on OM = 4.3145e+000 %.
ug Cd/L = 8.5470e+001 ug Cd/g = 8.1355e+001 Kd (L/kg) = 9.5185e+002 ug Cd/g in DL = 6.4289e-001
Excess meq Ca in DL = 1.2981e-005
Excess meq Cl in DL = -1.7996e-006
Surface charge = -1.4794e-005
Total Ca in/on organic matter = 1.1979e-006 CEC on OM = 4.3011e+000 %.
ug Cd/L = 9.2628e+001 ug Cd/g = 8.5262e+001 Kd (L/kg) = 9.2047e+002 ug Cd/g in DL = 6.9595e-001
Excess meq Ca in DL = 1.2963e-005
Excess meq Cl in DL = -1.7989e-006
Surface charge = -1.4776e-005
Total Ca in/on organic matter = 1.1943e-006 CEC on OM = 4.2882e+000 %.
ug Cd/L = 9.9910e+001 ug Cd/g = 8.9041e+001 Kd (L/kg) = 8.9121e+002 ug Cd/g in DL = 7.4983e-001
Excess meq Ca in DL = 1.2945e-005
Excess meq Cl in DL = -1.7982e-006
Surface charge = -1.4758e-005
Total Ca in/on organic matter = 1.1908e-006 CEC on OM = 4.2758e+000 %.
ug Cd/L = 1.0731e+002 ug Cd/g = 9.2702e+001 Kd (L/kg) = 8.6389e+002 ug Cd/g in DL = 8.0447e-001
Excess meq Ca in DL = 1.2927e-005
Excess meq Cl in DL = -1.7975e-006
Surface charge = -1.4740e-005
Total Ca in/on organic matter = 1.1875e-006 CEC on OM = 4.2637e+000 %.
ug Cd/L = 1.1481e+002 ug Cd/g = 9.6253e+001 Kd (L/kg) = 8.3833e+002 ug Cd/g in DL = 8.5979e-001
Excess meq Ca in DL = 1.2909e-005
Excess meq Cl in DL = -1.7969e-006
Surface charge = -1.4722e-005
Total Ca in/on organic matter = 1.1842e-006 CEC on OM = 4.2521e+000 %.
ug Cd/L = 1.2242e+002 ug Cd/g = 9.9700e+001 Kd (L/kg) = 8.1440e+002 ug Cd/g in DL = 9.1576e-001
Excess meq Ca in DL = 1.2892e-005
Excess meq Cl in DL = -1.7962e-006
Surface charge = -1.4704e-005
Total Ca in/on organic matter = 1.1811e-006 CEC on OM = 4.2408e+000 %.

3844
ex2.out
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File diff suppressed because it is too large Load Diff

102
ex2.sel
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@ -1,53 +1,53 @@
sim state soln dist_x time step pH pe temp si_anhydrite si_gypsum sim state soln dist_x time step pH pe temp si_anhydrite si_gypsum
1 i_soln 1 -99 -99 -99 7 4 25.000 -999.9990 -999.9990 1 i_soln 1 -99 -99 -99 7 4 25.000 -999.9990 -999.9990
1 react 1 -99 0 1 7.06676 10.685 25.000 -0.2197 0.0000 1 react 1 -99 0 1 7.06676 10.6858 25.000 -0.2197 0.0000
1 react 1 -99 0 2 7.05329 10.6165 26.000 -0.2157 0.0000 1 react 1 -99 0 2 7.05329 10.6167 26.000 -0.2157 0.0000
1 react 1 -99 0 3 7.03993 10.5481 27.000 -0.2115 0.0000 1 react 1 -99 0 3 7.03993 10.5472 27.000 -0.2115 0.0000
1 react 1 -99 0 4 7.02667 10.4786 28.000 -0.2071 0.0000 1 react 1 -99 0 4 7.02667 10.4794 28.000 -0.2071 0.0000
1 react 1 -99 0 5 7.01353 10.4112 29.000 -0.2025 0.0000 1 react 1 -99 0 5 7.01353 10.4117 29.000 -0.2025 -0.0000
1 react 1 -99 0 6 7.00051 10.3447 30.000 -0.1977 0.0000 1 react 1 -99 0 6 7.00051 10.3533 30.000 -0.1977 0.0000
1 react 1 -99 0 7 6.9876 10.278 31.000 -0.1928 0.0000 1 react 1 -99 0 7 6.9876 10.2767 31.000 -0.1928 0.0000
1 react 1 -99 0 8 6.97482 10.2111 32.000 -0.1877 0.0000 1 react 1 -99 0 8 6.97482 10.2106 32.000 -0.1877 -0.0000
1 react 1 -99 0 9 6.96217 10.144 33.000 -0.1824 0.0000 1 react 1 -99 0 9 6.96217 10.1506 33.000 -0.1824 0.0000
1 react 1 -99 0 10 6.94965 10.0778 34.000 -0.1769 0.0000 1 react 1 -99 0 10 6.94965 10.0794 34.000 -0.1769 0.0000
1 react 1 -99 0 11 6.93726 10.013 35.000 -0.1713 0.0000 1 react 1 -99 0 11 6.93726 10.0126 35.000 -0.1713 -0.0000
1 react 1 -99 0 12 6.925 9.94838 36.000 -0.1655 0.0000 1 react 1 -99 0 12 6.925 9.94892 36.000 -0.1655 -0.0000
1 react 1 -99 0 13 6.91288 9.88322 37.000 -0.1595 0.0000 1 react 1 -99 0 13 6.91288 9.88309 37.000 -0.1595 -0.0000
1 react 1 -99 0 14 6.90089 9.81904 38.000 -0.1533 0.0000 1 react 1 -99 0 14 6.90089 9.81981 38.000 -0.1533 -0.0000
1 react 1 -99 0 15 6.88905 9.75576 39.000 -0.1470 0.0000 1 react 1 -99 0 15 6.88905 9.76882 39.000 -0.1470 0.0000
1 react 1 -99 0 16 6.87734 9.69402 40.000 -0.1406 0.0000 1 react 1 -99 0 16 6.87734 9.69217 40.000 -0.1406 0.0000
1 react 1 -99 0 17 6.86578 9.63016 41.000 -0.1340 0.0000 1 react 1 -99 0 17 6.86578 9.62821 41.000 -0.1340 -0.0000
1 react 1 -99 0 18 6.85435 9.56453 42.000 -0.1272 0.0000 1 react 1 -99 0 18 6.85435 9.56599 42.000 -0.1272 -0.0000
1 react 1 -99 0 19 6.84307 9.50311 43.000 -0.1203 0.0000 1 react 1 -99 0 19 6.84307 9.50402 43.000 -0.1203 0.0000
1 react 1 -99 0 20 6.83193 9.4401 44.000 -0.1132 0.0000 1 react 1 -99 0 20 6.83193 9.44218 44.000 -0.1132 0.0000
1 react 1 -99 0 21 6.82093 9.37752 45.000 -0.1060 0.0000 1 react 1 -99 0 21 6.82093 9.37811 45.000 -0.1060 0.0000
1 react 1 -99 0 22 6.81008 9.31656 46.000 -0.0986 0.0000 1 react 1 -99 0 22 6.81008 9.31601 46.000 -0.0986 0.0000
1 react 1 -99 0 23 6.79936 9.25693 47.000 -0.0911 0.0000 1 react 1 -99 0 23 6.79936 9.25508 47.000 -0.0911 -0.0000
1 react 1 -99 0 24 6.78879 9.19396 48.000 -0.0835 0.0000 1 react 1 -99 0 24 6.78879 9.19389 48.000 -0.0835 0.0000
1 react 1 -99 0 25 6.77836 9.14114 49.000 -0.0757 0.0000 1 react 1 -99 0 25 6.77836 9.1336 49.000 -0.0757 0.0000
1 react 1 -99 0 26 6.76807 8.98281 50.000 -0.0678 0.0000 1 react 1 -99 0 26 6.76807 9.07108 50.000 -0.0678 -0.0000
1 react 1 -99 0 27 6.75793 9.05938 51.000 -0.0597 0.0000 1 react 1 -99 0 27 6.75793 9.01079 51.000 -0.0597 -0.0000
1 react 1 -99 0 28 6.74792 8.95351 52.000 -0.0515 0.0000 1 react 1 -99 0 28 6.74792 8.95305 52.000 -0.0515 0.0000
1 react 1 -99 0 29 6.73806 8.89285 53.000 -0.0432 0.0000 1 react 1 -99 0 29 6.73806 8.89279 53.000 -0.0432 -0.0000
1 react 1 -99 0 30 6.72833 8.83349 54.000 -0.0347 0.0000 1 react 1 -99 0 30 6.72833 8.83192 54.000 -0.0347 0.0000
1 react 1 -99 0 31 6.71874 8.77459 55.000 -0.0261 0.0000 1 react 1 -99 0 31 6.71874 8.77263 55.000 -0.0261 0.0000
1 react 1 -99 0 32 6.7093 8.71629 56.000 -0.0174 0.0000 1 react 1 -99 0 32 6.7093 8.71757 56.000 -0.0174 0.0000
1 react 1 -99 0 33 6.69999 8.6575 57.000 -0.0085 0.0000 1 react 1 -99 0 33 6.69999 8.70405 57.000 -0.0085 -0.0000
1 react 1 -99 0 34 6.69076 8.63801 58.000 0.0000 -0.0004 1 react 1 -99 0 34 6.69076 8.58975 58.000 0.0000 -0.0004
1 react 1 -99 0 35 6.68054 8.53344 59.000 0.0000 -0.0095 1 react 1 -99 0 35 6.68054 8.5322 59.000 0.0000 -0.0095
1 react 1 -99 0 36 6.67043 8.52512 60.000 0.0000 -0.0187 1 react 1 -99 0 36 6.67043 8.47682 60.000 0.0000 -0.0187
1 react 1 -99 0 37 6.66041 8.42249 61.000 0.0000 -0.0280 1 react 1 -99 0 37 6.66041 8.42234 61.000 0.0000 -0.0280
1 react 1 -99 0 38 6.65049 8.36439 62.000 0.0000 -0.0375 1 react 1 -99 0 38 6.65049 8.36438 62.000 0.0000 -0.0375
1 react 1 -99 0 39 6.64066 8.32984 63.000 0.0000 -0.0471 1 react 1 -99 0 39 6.64066 8.35744 63.000 0.0000 -0.0471
1 react 1 -99 0 40 6.63093 8.25431 64.000 0.0000 -0.0567 1 react 1 -99 0 40 6.63093 8.254 64.000 0.0000 -0.0567
1 react 1 -99 0 41 6.62129 8.19861 65.000 0.0000 -0.0665 1 react 1 -99 0 41 6.62129 8.20879 65.000 0.0000 -0.0665
1 react 1 -99 0 42 6.61175 8.14458 66.000 0.0000 -0.0764 1 react 1 -99 0 42 6.61175 8.19253 66.000 0.0000 -0.0764
1 react 1 -99 0 43 6.6023 8.09148 67.000 0.0000 -0.0864 1 react 1 -99 0 43 6.6023 8.09257 67.000 0.0000 -0.0864
1 react 1 -99 0 44 6.59294 8.03889 68.000 0.0000 -0.0966 1 react 1 -99 0 44 6.59294 8.03756 68.000 0.0000 -0.0966
1 react 1 -99 0 45 6.58367 7.98353 69.000 0.0000 -0.1068 1 react 1 -99 0 45 6.58367 7.98331 69.000 0.0000 -0.1068
1 react 1 -99 0 46 6.57449 7.9304 70.000 0.0000 -0.1171 1 react 1 -99 0 46 6.57449 7.93069 70.000 0.0000 -0.1171
1 react 1 -99 0 47 6.5654 7.87873 71.000 0.0000 -0.1276 1 react 1 -99 0 47 6.5654 7.87687 71.000 0.0000 -0.1276
1 react 1 -99 0 48 6.55641 7.82401 72.000 0.0000 -0.1381 1 react 1 -99 0 48 6.55641 7.82424 72.000 0.0000 -0.1381
1 react 1 -99 0 49 6.5475 7.81767 73.000 0.0000 -0.1488 1 react 1 -99 0 49 6.5475 7.76874 73.000 0.0000 -0.1488
1 react 1 -99 0 50 6.53867 7.76571 74.000 0.0000 -0.1595 1 react 1 -99 0 50 6.53867 7.71721 74.000 0.0000 -0.1595
1 react 1 -99 0 51 6.52994 7.66429 75.000 0.0000 -0.1704 1 react 1 -99 0 51 6.52994 7.66605 75.000 0.0000 -0.1704

446
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@ -56,77 +56,77 @@ Initial solution 1.
Isotope Molality Moles Ratio Units Isotope Molality Moles Ratio Units
H 1.10997e+002 1.10997e+002 H 1.10997e+02 1.10997e+02
D 1.72889e-002 1.72889e-002 0.00000e+000 permil D 1.72889e-02 1.72889e-02 0.00000e+00 permil
T 0.00000e+000 0.00000e+000 0.00000e+000 TU T 0.00000e+00 0.00000e+00 0.00000e+00 TU
C 1.97789e-003 1.97789e-003 C 1.97789e-03 1.97789e-03
[13C] 2.21132e-005 2.21132e-005 0.00000e+000 permil [13C] 2.21132e-05 2.21132e-05 0.00000e+00 permil
[14C] 0.00000e+000 0.00000e+000 0.00000e+000 pmc [14C] 0.00000e+00 0.00000e+00 0.00000e+00 pmc
O 5.54011e+001 5.54011e+001 O 5.54011e+01 5.54011e+01
[18O] 1.11090e-001 1.11090e-001 0.00000e+000 permil [18O] 1.11090e-01 1.11090e-01 0.00000e+00 permil
-----------------------------Solution composition------------------------------ -----------------------------Solution composition------------------------------
Elements Molality Moles Elements Molality Moles
C 2.000e-003 2.000e-003 C 2.000e-03 2.000e-03
Ca 3.089e-004 3.089e-004 Equilibrium with Calcite Ca 3.089e-04 3.089e-04 Equilibrium with Calcite
Na 1.380e-003 1.380e-003 Charge balance Na 1.380e-03 1.380e-03 Charge balance
----------------------------Description of solution---------------------------- ----------------------------Description of solution----------------------------
pH = 8.200 pH = 8.200
pe = 4.000 pe = 4.000
Activity of water = 1.000 Activity of water = 1.000
Ionic strength = 2.294e-003 Ionic strength = 2.294e-03
Mass of water (kg) = 1.000e+000 Mass of water (kg) = 1.000e+00
Total alkalinity (eq/kg) = 1.998e-003 Total alkalinity (eq/kg) = 1.998e-03
Total CO2 (mol/kg) = 2.000e-003 Total CO2 (mol/kg) = 2.000e-03
Temperature (deg C) = 25.00 Temperature (deg C) = 25.00
Electrical balance (eq) = 1.660e-013 Electrical balance (eq) = 1.660e-13
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00
Iterations = 8 Iterations = 8
Total H = 1.109971e+002 Total H = 1.109971e+02
Total O = 5.540110e+001 Total O = 5.540110e+01
----------------------------Distribution of species---------------------------- ----------------------------Distribution of species----------------------------
Log Log Log Log Log Log
Species Molality Activity Molality Activity Gamma Species Molality Activity Molality Activity Gamma
OH- 1.673e-006 1.586e-006 -5.776 -5.800 -0.023 OH- 1.673e-06 1.586e-06 -5.776 -5.800 -0.023
H3O+ 6.628e-009 6.310e-009 -8.179 -8.200 -0.021 H3O+ 6.628e-09 6.310e-09 -8.179 -8.200 -0.021
H2O 5.551e+001 9.999e-001 1.744 -0.000 0.000 H2O 5.551e+01 9.999e-01 1.744 -0.000 0.000
C(-4) 0.000e+000 C(-4) 0.000e+00
CH4 0.000e+000 0.000e+000 -77.792 -77.792 0.000 CH4 0.000e+00 0.000e+00 -77.792 -77.792 0.000
C(4) 2.000e-003 C(4) 2.000e-03
HCO3- 1.944e-003 1.844e-003 -2.711 -2.734 -0.023 HCO3- 1.944e-03 1.844e-03 -2.711 -2.734 -0.023
CO2 2.615e-005 2.616e-005 -4.583 -4.582 0.000 CO2 2.615e-05 2.616e-05 -4.583 -4.582 0.000
CO3-2 1.693e-005 1.371e-005 -4.771 -4.863 -0.092 CO3-2 1.693e-05 1.371e-05 -4.771 -4.863 -0.092
CaHCO3+ 5.989e-006 5.687e-006 -5.223 -5.245 -0.022 CaHCO3+ 5.989e-06 5.687e-06 -5.223 -5.245 -0.022
CaCO3 5.562e-006 5.565e-006 -5.255 -5.255 0.000 CaCO3 5.562e-06 5.565e-06 -5.255 -5.255 0.000
NaHCO3 1.356e-006 1.356e-006 -5.868 -5.868 0.000 NaHCO3 1.356e-06 1.356e-06 -5.868 -5.868 0.000
NaCO3- 3.520e-007 3.339e-007 -6.453 -6.476 -0.023 NaCO3- 3.520e-07 3.339e-07 -6.453 -6.476 -0.023
Ca 3.089e-004 Ca 3.089e-04
Ca+2 2.974e-004 2.417e-004 -3.527 -3.617 -0.090 Ca+2 2.974e-04 2.417e-04 -3.527 -3.617 -0.090
CaHCO3+ 5.989e-006 5.687e-006 -5.223 -5.245 -0.022 CaHCO3+ 5.989e-06 5.687e-06 -5.223 -5.245 -0.022
CaCO3 5.562e-006 5.565e-006 -5.255 -5.255 0.000 CaCO3 5.562e-06 5.565e-06 -5.255 -5.255 0.000
H(0) 5.634e-028 H(0) 5.634e-28
H2 2.817e-028 2.819e-028 -27.550 -27.550 0.000 H2 2.817e-28 2.819e-28 -27.550 -27.550 0.000
Na 1.380e-003 Na 1.380e-03
Na+ 1.379e-003 1.308e-003 -2.861 -2.883 -0.023 Na+ 1.379e-03 1.308e-03 -2.861 -2.883 -0.023
NaHCO3 1.356e-006 1.356e-006 -5.868 -5.868 0.000 NaHCO3 1.356e-06 1.356e-06 -5.868 -5.868 0.000
NaCO3- 3.520e-007 3.339e-007 -6.453 -6.476 -0.023 NaCO3- 3.520e-07 3.339e-07 -6.453 -6.476 -0.023
O(0) 1.049e-037 O(0) 1.049e-37
O2 5.243e-038 5.246e-038 -37.280 -37.280 0.000 O2 5.243e-38 5.246e-38 -37.280 -37.280 0.000
------------------------------Saturation indices------------------------------- ------------------------------Saturation indices-------------------------------
Phase SI log IAP log K(298 K, 1 atm) Phase SI log IAP log K(298 K, 1 atm)
Calcite -0.00 -8.48 -8.48 CaCO3 Calcite 0.00 -8.48 -8.48 CaCO3
CH4(g) -74.93 -77.79 -2.86 CH4 CH4(g) -74.93 -77.79 -2.86 CH4
CO2(g) -3.11 -4.58 -1.47 CO2 CO2(g) -3.11 -4.58 -1.47 CO2
H2(g) -24.40 -27.55 -3.15 H2 H2(g) -24.40 -27.55 -3.15 H2
@ -188,55 +188,55 @@ Using solid solution assemblage 1. No [14C]
----------------------------------User print----------------------------------- ----------------------------------User print-----------------------------------
Component Mole fraction Component Mole fraction
Calcite 9.8283e-001 Calcite 9.8283e-01
Ca[13C]O3(s) 1.1011e-002 Ca[13C]O3(s) 1.1011e-02
CaCO2[18O](s) 6.0825e-003 CaCO2[18O](s) 6.0825e-03
Ca[13C]O2[18O](s) 6.8147e-005 Ca[13C]O2[18O](s) 6.8147e-05
CaCO[18O]2(s) 1.2548e-005 CaCO[18O]2(s) 1.2548e-05
Ca[13C]O[18O]2(s) 1.4058e-007 Ca[13C]O[18O]2(s) 1.4058e-07
CaC[18O]3(s) 8.6284e-009 CaC[18O]3(s) 8.6284e-09
Ca[13C][18O]3(s) 9.6671e-011 Ca[13C][18O]3(s) 9.6671e-11
--------------------------------Solid solutions-------------------------------- --------------------------------Solid solutions--------------------------------
Solid solution Component Moles Delta moles Mole fract Solid solution Component Moles Delta moles Mole fract
Calcite 2.54e-007 Calcite 2.54e-07
Calcite 2.49e-007 2.49e-007 9.83e-001 Calcite 2.49e-07 2.49e-07 9.83e-01
CaCO2[18O](s) 1.54e-009 1.54e-009 6.08e-003 CaCO2[18O](s) 1.54e-09 1.54e-09 6.08e-03
CaCO[18O]2(s) 3.18e-012 3.18e-012 1.25e-005 CaCO[18O]2(s) 3.18e-12 3.18e-12 1.25e-05
CaC[18O]3(s) 2.19e-015 2.19e-015 8.63e-009 CaC[18O]3(s) 2.19e-15 2.19e-15 8.63e-09
Ca[13C]O3(s) 2.79e-009 2.79e-009 1.10e-002 Ca[13C]O3(s) 2.79e-09 2.79e-09 1.10e-02
Ca[13C]O2[18O](s) 1.73e-011 1.73e-011 6.81e-005 Ca[13C]O2[18O](s) 1.73e-11 1.73e-11 6.81e-05
Ca[13C]O[18O]2(s) 3.56e-014 3.56e-014 1.41e-007 Ca[13C]O[18O]2(s) 3.56e-14 3.56e-14 1.41e-07
Ca[13C][18O]3(s) 2.45e-017 2.45e-017 9.67e-011 Ca[13C][18O]3(s) 2.45e-17 2.45e-17 9.67e-11
--------------------------------Isotope Ratios--------------------------------- --------------------------------Isotope Ratios---------------------------------
Isotope Ratio Ratio Input Units Isotope Ratio Ratio Input Units
R(D) 1.55760e-004 4.4409e-013 permil R(D) 1.55760e-04 3.4803e-13 permil
R(18O) 2.00520e-003 -3.9446e-007 permil R(18O) 2.00520e-03 -3.9446e-07 permil
R(13C) 1.11802e-002 -0.00026756 permil R(13C) 1.11802e-02 -0.00026756 permil
R(D) H2O(l) 1.55760e-004 1.138e-005 permil R(D) H2O(l) 1.55760e-04 1.138e-05 permil
R(18O) H2O(l) 2.00520e-003 -3.9135e-005 permil R(18O) H2O(l) 2.00520e-03 -3.9135e-05 permil
R(D) OH- 3.70888e-005 -761.88 permil R(D) OH- 3.70888e-05 -761.88 permil
R(18O) OH- 1.93086e-003 -37.072 permil R(18O) OH- 1.93086e-03 -37.072 permil
R(D) H3O+ 1.62250e-004 41.665 permil R(D) H3O+ 1.62250e-04 41.665 permil
R(18O) H3O+ 2.05157e-003 23.123 permil R(18O) H3O+ 2.05157e-03 23.123 permil
R(D) H2(aq) 1.55760e-004 1.138e-005 permil R(D) H2(aq) 1.55760e-04 1.138e-05 permil
R(13C) CO2(aq) 1.10852e-002 -8.4965 permil R(13C) CO2(aq) 1.10852e-02 -8.4965 permil
R(18O) CO2(aq) 2.08959e-003 42.084 permil R(18O) CO2(aq) 2.08959e-03 42.084 permil
R(D) HCO3- 1.55760e-004 1.1382e-005 permil R(D) HCO3- 1.55760e-04 1.1382e-05 permil
R(18O) HCO3- 2.00520e-003 -3.9135e-005 permil R(18O) HCO3- 2.00520e-03 -3.9135e-05 permil
R(13C) HCO3- 1.11816e-002 0.12943 permil R(13C) HCO3- 1.11816e-02 0.12943 permil
R(18O) CO3-2 2.00520e-003 -3.9137e-005 permil R(18O) CO3-2 2.00520e-03 -3.9137e-05 permil
R(13C) CO3-2 1.11656e-002 -1.3058 permil R(13C) CO3-2 1.11656e-02 -1.3058 permil
R(D) CH4(aq) 1.55760e-004 1.138e-005 permil R(D) CH4(aq) 1.55760e-04 1.138e-05 permil
R(13C) CH4(aq) 1.10852e-002 -8.4965 permil R(13C) CH4(aq) 1.10852e-02 -8.4965 permil
R(18O) Calcite 2.06293e-003 28.79 permil R(18O) Calcite 2.06293e-03 28.79 permil
R(13C) Calcite 1.12038e-002 2.1103 permil R(13C) Calcite 1.12038e-02 2.1103 permil
--------------------------------Isotope Alphas--------------------------------- --------------------------------Isotope Alphas---------------------------------
@ -248,15 +248,15 @@ Alpha D OH-/H2O(l) 0.23812 -1435 -1435
Alpha 18O OH-/H2O(l) 0.96293 -37.777 -37.777 Alpha 18O OH-/H2O(l) 0.96293 -37.777 -37.777
Alpha D H3O+/H2O(l) 1.0417 40.82 40.82 Alpha D H3O+/H2O(l) 1.0417 40.82 40.82
Alpha 18O H3O+/H2O(l) 1.0231 22.86 22.86 Alpha 18O H3O+/H2O(l) 1.0231 22.86 22.86
Alpha D H2(aq)/H2O(l) 1 4.4409e-013 0 Alpha D H2(aq)/H2O(l) 1 8.6597e-12 0
Alpha 18O CO2(aq)/H2O(l) 1.0421 41.223 41.223 Alpha 18O CO2(aq)/H2O(l) 1.0421 41.223 41.223
Alpha D HCO3-/H2O(l) 1 2.258e-009 0 Alpha D HCO3-/H2O(l) 1 2.2582e-09 0
Alpha 18O HCO3-/H2O(l) 1 3.1086e-012 0 Alpha 18O HCO3-/H2O(l) 1 1.9984e-12 0
Alpha 13C HCO3-/CO2(aq) 1.0087 8.6622 8.6622 Alpha 13C HCO3-/CO2(aq) 1.0087 8.6622 8.6622
Alpha 18O CO3-2/H2O(l) 1 -1.551e-009 0 Alpha 18O CO3-2/H2O(l) 1 -1.653e-09 0
Alpha 13C CO3-2/CO2(aq) 1.0073 7.2261 7.2261 Alpha 13C CO3-2/CO2(aq) 1.0073 7.2261 7.2261
Alpha D CH4(aq)/H2O(l) 1 3.7081e-011 0 Alpha D CH4(aq)/H2O(l) 1 -4.2188e-12 0
Alpha 13C CH4(aq)/CO2(aq) 1 -1.2212e-011 0 Alpha 13C CH4(aq)/CO2(aq) 1 1.5543e-12 0
Alpha 18O Calcite/H2O(l) 1.0288 28.383 28.383 Alpha 18O Calcite/H2O(l) 1.0288 28.383 28.383
Alpha 13C Calcite/CO2(aq) 1.0107 10.641 10.641 Alpha 13C Calcite/CO2(aq) 1.0107 10.641 10.641
@ -264,152 +264,152 @@ Alpha 13C Calcite/CO2(aq) 1.0107 10.641 10.641
Elements Molality Moles Elements Molality Moles
[13C] 2.218e-005 2.211e-005 [13C] 2.218e-05 2.211e-05
[18O] 1.114e-001 1.111e-001 [18O] 1.114e-01 1.111e-01
C 1.984e-003 1.978e-003 C 1.984e-03 1.978e-03
Ca 3.097e-004 3.087e-004 Ca 3.097e-04 3.087e-04
D 1.734e-002 1.729e-002 D 1.734e-02 1.729e-02
Na 1.385e-003 1.380e-003 Na 1.385e-03 1.380e-03
----------------------------Description of solution---------------------------- ----------------------------Description of solution----------------------------
pH = 8.199 Charge balance pH = 8.199 Charge balance
pe = -2.896 Adjusted to redox equilibrium pe = -2.783 Adjusted to redox equilibrium
Activity of water = 0.998 Activity of water = 0.998
Ionic strength = 2.300e-003 Ionic strength = 2.300e-03
Mass of water (kg) = 9.968e-001 Mass of water (kg) = 9.968e-01
Total alkalinity (eq/kg) = 2.004e-003 Total alkalinity (eq/kg) = 2.004e-03
Total CO2 (mol/kg) = 1.984e-003 Total CO2 (mol/kg) = 1.984e-03
Temperature (deg C) = 25.00 Temperature (deg C) = 25.00
Electrical balance (eq) = 1.660e-013 Electrical balance (eq) = 1.660e-13
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00
Iterations = 33 Iterations = 40
Total H = 1.109971e+002 Total H = 1.109971e+02
Total O = 5.540110e+001 Total O = 5.540110e+01
----------------------------Distribution of species---------------------------- ----------------------------Distribution of species----------------------------
Log Log Log Log Log Log
Species Molality Activity Molality Activity Gamma Species Molality Activity Molality Activity Gamma
OH- 1.661e-006 1.575e-006 -5.780 -5.803 -0.023 OH- 1.661e-06 1.575e-06 -5.780 -5.803 -0.023
H3O+ 6.648e-009 6.328e-009 -8.177 -8.199 -0.021 H3O+ 6.648e-09 6.328e-09 -8.177 -8.199 -0.021
H2O 5.556e+001 9.977e-001 1.745 -0.001 0.000 H2O 5.556e+01 9.977e-01 1.745 -0.001 0.000
C(-4) 2.475e-023 C(-4) 3.063e-24
CH4 2.474e-023 2.475e-023 -22.607 -22.606 0.000 CH4 3.061e-24 3.063e-24 -23.514 -23.514 0.000
CH3D 1.541e-026 1.542e-026 -25.812 -25.812 0.000 CH3D 1.907e-27 1.908e-27 -26.720 -26.719 0.000
C(4) 1.984e-003 C(4) 1.984e-03
HCO3- 1.916e-003 1.818e-003 -2.718 -2.741 -0.023 HCO3- 1.916e-03 1.818e-03 -2.718 -2.741 -0.023
CO2 2.597e-005 2.598e-005 -4.586 -4.585 0.000 CO2 2.597e-05 2.598e-05 -4.586 -4.585 0.000
CO3-2 1.661e-005 1.344e-005 -4.780 -4.872 -0.092 CO3-2 1.661e-05 1.344e-05 -4.780 -4.872 -0.092
CaHCO3+ 5.916e-006 5.618e-006 -5.228 -5.250 -0.023 CaHCO3+ 5.916e-06 5.618e-06 -5.228 -5.250 -0.023
CaCO3 5.466e-006 5.469e-006 -5.262 -5.262 0.000 CaCO3 5.466e-06 5.469e-06 -5.262 -5.262 0.000
HCO[18O]O- 3.842e-006 3.645e-006 -5.415 -5.438 -0.023 HCO2[18O]- 3.842e-06 3.645e-06 -5.415 -5.438 -0.023
HC[18O]O2- 3.842e-006 3.645e-006 -5.415 -5.438 -0.023 HCO[18O]O- 3.842e-06 3.645e-06 -5.415 -5.438 -0.023
HCO2[18O]- 3.842e-006 3.645e-006 -5.415 -5.438 -0.023 HC[18O]O2- 3.842e-06 3.645e-06 -5.415 -5.438 -0.023
NaHCO3 1.341e-006 1.341e-006 -5.873 -5.872 0.000 NaHCO3 1.341e-06 1.341e-06 -5.873 -5.872 0.000
NaCO3- 3.463e-007 3.285e-007 -6.460 -6.483 -0.023 NaCO3- 3.463e-07 3.285e-07 -6.460 -6.483 -0.023
DCO3- 2.985e-007 2.831e-007 -6.525 -6.548 -0.023 DCO3- 2.985e-07 2.831e-07 -6.525 -6.548 -0.023
CO[18O] 1.085e-007 1.086e-007 -6.964 -6.964 0.000 CO[18O] 1.085e-07 1.086e-07 -6.964 -6.964 0.000
CO2[18O]-2 9.991e-008 8.087e-008 -7.000 -7.092 -0.092 CO2[18O]-2 9.991e-08 8.087e-08 -7.000 -7.092 -0.092
CaCO2[18O] 3.288e-008 3.290e-008 -7.483 -7.483 0.000 CaCO2[18O] 3.288e-08 3.290e-08 -7.483 -7.483 0.000
CaHCO2[18O]+ 1.186e-008 1.126e-008 -7.926 -7.948 -0.023 CaHCO2[18O]+ 1.186e-08 1.126e-08 -7.926 -7.948 -0.023
CaHC[18O]O2+ 1.186e-008 1.126e-008 -7.926 -7.948 -0.023 CaHCO[18O]O+ 1.186e-08 1.126e-08 -7.926 -7.948 -0.023
CaHCO[18O]O+ 1.186e-008 1.126e-008 -7.926 -7.948 -0.023 CaHC[18O]O2+ 1.186e-08 1.126e-08 -7.926 -7.948 -0.023
HCO[18O]2- 7.705e-009 7.308e-009 -8.113 -8.136 -0.023 HCO[18O]2- 7.705e-09 7.308e-09 -8.113 -8.136 -0.023
HC[18O]2O- 7.705e-009 7.308e-009 -8.113 -8.136 -0.023 HC[18O]2O- 7.705e-09 7.308e-09 -8.113 -8.136 -0.023
HC[18O]O[18O]- 7.705e-009 7.308e-009 -8.113 -8.136 -0.023 HC[18O]O[18O]- 7.705e-09 7.308e-09 -8.113 -8.136 -0.023
NaHC[18O]O2 2.688e-009 2.690e-009 -8.571 -8.570 0.000 NaHCO2[18O] 2.688e-09 2.690e-09 -8.571 -8.570 0.000
NaHCO2[18O] 2.688e-009 2.690e-009 -8.571 -8.570 0.000 NaHCO[18O]O 2.688e-09 2.690e-09 -8.571 -8.570 0.000
NaHCO[18O]O 2.688e-009 2.690e-009 -8.571 -8.570 0.000 NaHC[18O]O2 2.688e-09 2.690e-09 -8.571 -8.570 0.000
NaCO2[18O]- 2.083e-009 1.976e-009 -8.681 -8.704 -0.023 NaCO2[18O]- 2.083e-09 1.976e-09 -8.681 -8.704 -0.023
Ca 3.097e-004 Ca 3.097e-04
Ca+2 2.981e-004 2.422e-004 -3.526 -3.616 -0.090 Ca+2 2.981e-04 2.422e-04 -3.526 -3.616 -0.090
CaHCO3+ 5.916e-006 5.618e-006 -5.228 -5.250 -0.023 CaHCO3+ 5.916e-06 5.618e-06 -5.228 -5.250 -0.023
CaCO3 5.466e-006 5.469e-006 -5.262 -5.262 0.000 CaCO3 5.466e-06 5.469e-06 -5.262 -5.262 0.000
CaH[13C]O3+ 6.616e-008 6.281e-008 -7.179 -7.202 -0.023 CaH[13C]O3+ 6.616e-08 6.281e-08 -7.179 -7.202 -0.023
Ca[13C]O3 6.104e-008 6.107e-008 -7.214 -7.214 0.000 Ca[13C]O3 6.104e-08 6.107e-08 -7.214 -7.214 0.000
CaCO2[18O] 3.288e-008 3.290e-008 -7.483 -7.483 0.000 CaCO2[18O] 3.288e-08 3.290e-08 -7.483 -7.483 0.000
CaHCO2[18O]+ 1.186e-008 1.126e-008 -7.926 -7.948 -0.023 CaHCO2[18O]+ 1.186e-08 1.126e-08 -7.926 -7.948 -0.023
CaHC[18O]O2+ 1.186e-008 1.126e-008 -7.926 -7.948 -0.023 CaHCO[18O]O+ 1.186e-08 1.126e-08 -7.926 -7.948 -0.023
CaHCO[18O]O+ 1.186e-008 1.126e-008 -7.926 -7.948 -0.023 CaHC[18O]O2+ 1.186e-08 1.126e-08 -7.926 -7.948 -0.023
CaDCO3+ 9.216e-010 8.750e-010 -9.035 -9.058 -0.023 CaDCO3+ 9.216e-10 8.750e-10 -9.035 -9.058 -0.023
Ca[13C]O2[18O] 3.672e-010 3.674e-010 -9.435 -9.435 0.000 Ca[13C]O2[18O] 3.672e-10 3.674e-10 -9.435 -9.435 0.000
D(0) 5.495e-018 D(0) 3.259e-18
HD 5.494e-018 5.497e-018 -17.260 -17.260 0.000 HD 3.259e-18 3.261e-18 -17.487 -17.487 0.000
D2 4.279e-022 4.281e-022 -21.369 -21.368 0.000 D2 2.538e-22 2.539e-22 -21.596 -21.595 0.000
D(1) 1.734e-002 D(1) 1.734e-02
HDO 1.731e-002 3.108e-004 -1.762 -3.507 -1.746 HDO 1.731e-02 3.108e-04 -1.762 -3.507 -1.746
HD[18O] 3.470e-005 6.233e-007 -4.460 -6.205 -1.746 HD[18O] 3.470e-05 6.233e-07 -4.460 -6.205 -1.746
D2O 1.348e-006 2.421e-008 -5.870 -7.616 -1.746 D2O 1.348e-06 2.421e-08 -5.870 -7.616 -1.746
DCO3- 2.985e-007 2.831e-007 -6.525 -6.548 -0.023 DCO3- 2.985e-07 2.831e-07 -6.525 -6.548 -0.023
H(0) 3.529e-014 H(0) 2.093e-14
H2 1.764e-014 1.765e-014 -13.754 -13.753 0.000 H2 1.046e-14 1.047e-14 -13.980 -13.980 0.000
HD 5.494e-018 5.497e-018 -17.260 -17.260 0.000 HD 3.259e-18 3.261e-18 -17.487 -17.487 0.000
Na 1.385e-003 Na 1.385e-03
Na+ 1.383e-003 1.312e-003 -2.859 -2.882 -0.023 Na+ 1.383e-03 1.312e-03 -2.859 -2.882 -0.023
NaHCO3 1.341e-006 1.341e-006 -5.873 -5.872 0.000 NaHCO3 1.341e-06 1.341e-06 -5.873 -5.872 0.000
NaCO3- 3.463e-007 3.285e-007 -6.460 -6.483 -0.023 NaCO3- 3.463e-07 3.285e-07 -6.460 -6.483 -0.023
NaH[13C]O3 1.499e-008 1.500e-008 -7.824 -7.824 0.000 NaH[13C]O3 1.499e-08 1.500e-08 -7.824 -7.824 0.000
Na[13C]O3- 3.867e-009 3.668e-009 -8.413 -8.436 -0.023 Na[13C]O3- 3.867e-09 3.668e-09 -8.413 -8.436 -0.023
NaHCO[18O]O 2.688e-009 2.690e-009 -8.571 -8.570 0.000 NaHCO2[18O] 2.688e-09 2.690e-09 -8.571 -8.570 0.000
NaHC[18O]O2 2.688e-009 2.690e-009 -8.571 -8.570 0.000 NaHCO[18O]O 2.688e-09 2.690e-09 -8.571 -8.570 0.000
NaHCO2[18O] 2.688e-009 2.690e-009 -8.571 -8.570 0.000 NaHC[18O]O2 2.688e-09 2.690e-09 -8.571 -8.570 0.000
NaCO2[18O]- 2.083e-009 1.976e-009 -8.681 -8.704 -0.023 NaCO2[18O]- 2.083e-09 1.976e-09 -8.681 -8.704 -0.023
O(0) 0.000e+000 O(0) 0.000e+00
O2 0.000e+000 0.000e+000 -64.875 -64.875 0.000 O2 0.000e+00 0.000e+00 -64.422 -64.422 0.000
O[18O] 0.000e+000 0.000e+000 -67.272 -67.272 0.000 O[18O] 0.000e+00 0.000e+00 -66.819 -66.818 0.000
[13C](-4) 2.744e-025 [13C](-4) 3.396e-26
[13C]H4 2.742e-025 2.743e-025 -24.562 -24.562 0.000 [13C]H4 3.394e-26 3.395e-26 -25.469 -25.469 0.000
[13C]H3D 1.708e-028 1.709e-028 -27.767 -27.767 0.000 [13C]H3D 2.114e-29 2.115e-29 -28.675 -28.675 0.000
[13C](4) 2.218e-005 [13C](4) 2.218e-05
H[13C]O3- 2.143e-005 2.032e-005 -4.669 -4.692 -0.023 H[13C]O3- 2.143e-05 2.032e-05 -4.669 -4.692 -0.023
[13C]O2 2.879e-007 2.880e-007 -6.541 -6.541 0.000 [13C]O2 2.879e-07 2.880e-07 -6.541 -6.541 0.000
[13C]O3-2 1.854e-007 1.501e-007 -6.732 -6.824 -0.092 [13C]O3-2 1.854e-07 1.501e-07 -6.732 -6.824 -0.092
CaH[13C]O3+ 6.616e-008 6.281e-008 -7.179 -7.202 -0.023 CaH[13C]O3+ 6.616e-08 6.281e-08 -7.179 -7.202 -0.023
Ca[13C]O3 6.104e-008 6.107e-008 -7.214 -7.214 0.000 Ca[13C]O3 6.104e-08 6.107e-08 -7.214 -7.214 0.000
H[13C]O2[18O]- 4.296e-008 4.075e-008 -7.367 -7.390 -0.023 H[13C]O2[18O]- 4.296e-08 4.075e-08 -7.367 -7.390 -0.023
H[13C][18O]O2- 4.296e-008 4.075e-008 -7.367 -7.390 -0.023 H[13C]O[18O]O- 4.296e-08 4.075e-08 -7.367 -7.390 -0.023
H[13C]O[18O]O- 4.296e-008 4.075e-008 -7.367 -7.390 -0.023 H[13C][18O]O2- 4.296e-08 4.075e-08 -7.367 -7.390 -0.023
NaH[13C]O3 1.499e-008 1.500e-008 -7.824 -7.824 0.000 NaH[13C]O3 1.499e-08 1.500e-08 -7.824 -7.824 0.000
Na[13C]O3- 3.867e-009 3.668e-009 -8.413 -8.436 -0.023 Na[13C]O3- 3.867e-09 3.668e-09 -8.413 -8.436 -0.023
D[13C]O3- 3.337e-009 3.166e-009 -8.477 -8.500 -0.023 D[13C]O3- 3.337e-09 3.166e-09 -8.477 -8.500 -0.023
[13C]O[18O] 1.203e-009 1.204e-009 -8.920 -8.919 0.000 [13C]O[18O] 1.203e-09 1.204e-09 -8.920 -8.919 0.000
[13C]O2[18O]-2 1.116e-009 9.029e-010 -8.953 -9.044 -0.092 [13C]O2[18O]-2 1.116e-09 9.029e-10 -8.953 -9.044 -0.092
Ca[13C]O2[18O] 3.672e-010 3.674e-010 -9.435 -9.435 0.000 Ca[13C]O2[18O] 3.672e-10 3.674e-10 -9.435 -9.435 0.000
CaH[13C][18O]O2+ 1.327e-010 1.260e-010 -9.877 -9.900 -0.023 CaH[13C]O2[18O]+ 1.327e-10 1.260e-10 -9.877 -9.900 -0.023
CaH[13C]O[18O]O+ 1.327e-010 1.260e-010 -9.877 -9.900 -0.023 CaH[13C]O[18O]O+ 1.327e-10 1.260e-10 -9.877 -9.900 -0.023
CaH[13C]O2[18O]+ 1.327e-010 1.260e-010 -9.877 -9.900 -0.023 CaH[13C][18O]O2+ 1.327e-10 1.260e-10 -9.877 -9.900 -0.023
H[13C][18O]2O- 8.615e-011 8.172e-011 -10.065 -10.088 -0.023 H[13C]O[18O]2- 8.615e-11 8.172e-11 -10.065 -10.088 -0.023
H[13C][18O]O[18O]- 8.615e-011 8.172e-011 -10.065 -10.088 -0.023 H[13C][18O]2O- 8.615e-11 8.172e-11 -10.065 -10.088 -0.023
H[13C]O[18O]2- 8.615e-011 8.172e-011 -10.065 -10.088 -0.023 H[13C][18O]O[18O]- 8.615e-11 8.172e-11 -10.065 -10.088 -0.023
NaH[13C]O2[18O] 3.006e-011 3.008e-011 -10.522 -10.522 0.000 NaH[13C]O2[18O] 3.006e-11 3.008e-11 -10.522 -10.522 0.000
NaH[13C]O[18O]O 3.006e-011 3.008e-011 -10.522 -10.522 0.000 NaH[13C]O[18O]O 3.006e-11 3.008e-11 -10.522 -10.522 0.000
NaH[13C][18O]O2 3.006e-011 3.008e-011 -10.522 -10.522 0.000 NaH[13C][18O]O2 3.006e-11 3.008e-11 -10.522 -10.522 0.000
Na[13C]O2[18O]- 2.326e-011 2.207e-011 -10.633 -10.656 -0.023 Na[13C]O2[18O]- 2.326e-11 2.207e-11 -10.633 -10.656 -0.023
[18O](-2) 1.114e-001 [18O](-2) 1.114e-01
H2[18O] 1.114e-001 2.001e-003 -0.953 -2.699 -1.746 H2[18O] 1.114e-01 2.001e-03 -0.953 -2.699 -1.746
HD[18O] 3.470e-005 6.233e-007 -4.460 -6.205 -1.746 HD[18O] 3.470e-05 6.233e-07 -4.460 -6.205 -1.746
HCO2[18O]- 3.842e-006 3.645e-006 -5.415 -5.438 -0.023 HCO2[18O]- 3.842e-06 3.645e-06 -5.415 -5.438 -0.023
HC[18O]O2- 3.842e-006 3.645e-006 -5.415 -5.438 -0.023 HCO[18O]O- 3.842e-06 3.645e-06 -5.415 -5.438 -0.023
HCO[18O]O- 3.842e-006 3.645e-006 -5.415 -5.438 -0.023 HC[18O]O2- 3.842e-06 3.645e-06 -5.415 -5.438 -0.023
[18O](0) 0.000e+000 [18O](0) 0.000e+00
O[18O] 0.000e+000 0.000e+000 -67.272 -67.272 0.000 O[18O] 0.000e+00 0.000e+00 -66.819 -66.818 0.000
[18O]2 0.000e+000 0.000e+000 -70.271 -70.271 0.000 [18O]2 0.000e+00 0.000e+00 -69.817 -69.817 0.000
------------------------------Saturation indices------------------------------- ------------------------------Saturation indices-------------------------------
Phase SI log IAP log K(298 K, 1 atm) Phase SI log IAP log K(298 K, 1 atm)
[13C][18O]2(g) -10.43 -11.94 -1.50 [13C][18O]2 [13C][18O]2(g) -10.43 -11.94 -1.50 [13C][18O]2
[13C]D4(g) -36.93 -39.79 -2.86 [13C]D4 [13C]D4(g) -37.84 -40.70 -2.86 [13C]D4
[13C]H2D2(g) -28.54 -32.18 -3.64 [13C]H2D2 [13C]H2D2(g) -29.45 -33.08 -3.64 [13C]H2D2
[13C]H3D(g) -24.91 -28.37 -3.46 [13C]H3D [13C]H3D(g) -25.81 -29.28 -3.46 [13C]H3D
[13C]H4(g) -21.70 -24.56 -2.86 [13C]H4 [13C]H4(g) -22.61 -25.47 -2.86 [13C]H4
[13C]HD3(g) -32.52 -35.98 -3.46 [13C]HD3 [13C]HD3(g) -33.43 -36.89 -3.46 [13C]HD3
[13C]O2(g) -5.07 -6.54 -1.47 [13C]O2 [13C]O2(g) -5.07 -6.54 -1.47 [13C]O2
[13C]O[18O](g) -7.45 -9.24 -1.79 [13C]O[18O] [13C]O[18O](g) -7.45 -9.24 -1.79 [13C]O[18O]
[18O]2(g) -67.98 -70.27 -2.29 [18O]2 [18O]2(g) -67.53 -69.82 -2.29 [18O]2
C[18O]2(g) -8.48 -9.98 -1.50 C[18O]2 C[18O]2(g) -8.48 -9.98 -1.50 C[18O]2
Ca[13C][18O]3(s) -10.01 -1.86 8.16 Ca[13C][18O]3 Ca[13C][18O]3(s) -10.01 -1.86 8.16 Ca[13C][18O]3
Ca[13C]O2[18O](s) -4.17 3.54 7.71 Ca[13C]O2[18O] Ca[13C]O2[18O](s) -4.17 3.54 7.71 Ca[13C]O2[18O]
@ -419,24 +419,24 @@ O(0) 0.000e+000
CaCO2[18O](s) -2.22 5.50 7.71 CaCO2[18O] CaCO2[18O](s) -2.22 5.50 7.71 CaCO2[18O]
CaCO[18O]2(s) -4.90 2.80 7.70 CaCO[18O]2 CaCO[18O]2(s) -4.90 2.80 7.70 CaCO[18O]2
Calcite -0.01 -8.49 -8.48 CaCO3 Calcite -0.01 -8.49 -8.48 CaCO3
CD4(g) -34.98 -37.84 -2.86 CD4 CD4(g) -35.88 -38.74 -2.86 CD4
CH2D2(g) -26.58 -30.22 -3.64 CH2D2 CH2D2(g) -27.49 -31.13 -3.64 CH2D2
CH3D(g) -22.95 -26.41 -3.46 CH3D CH3D(g) -23.86 -27.32 -3.46 CH3D
CH4(g) -19.75 -22.61 -2.86 CH4 CH4(g) -20.65 -23.51 -2.86 CH4
CHD3(g) -30.57 -34.03 -3.46 CHD3 CHD3(g) -31.47 -34.94 -3.46 CHD3
CO2(g) -3.12 -4.59 -1.47 CO2 CO2(g) -3.12 -4.59 -1.47 CO2
CO[18O](g) -5.50 -7.28 -1.79 CO[18O] CO[18O](g) -5.50 -7.28 -1.79 CO[18O]
D2(g) -18.22 -21.37 -3.15 D2 D2(g) -18.45 -21.60 -3.15 D2
D2[18O](g) -11.89 -10.31 1.58 D2[18O] D2[18O](g) -11.89 -10.31 1.58 D2[18O]
D2O(g) -9.19 -7.62 1.58 D2O D2O(g) -9.19 -7.62 1.58 D2O
H2(g) -10.60 -13.75 -3.15 H2 H2(g) -10.83 -13.98 -3.15 H2
H2[18O](g) -4.21 -2.70 1.51 H2[18O] H2[18O](g) -4.21 -2.70 1.51 H2[18O]
H2O(g) -1.51 -0.00 1.51 H2O H2O(g) -1.51 -0.00 1.51 H2O
HD(g) -14.11 -17.56 -3.45 HD HD(g) -14.34 -17.79 -3.45 HD
HD[18O](g) -7.75 -6.51 1.25 HD[18O] HD[18O](g) -7.75 -6.51 1.25 HD[18O]
HDO(g) -5.05 -3.81 1.24 HDO HDO(g) -5.05 -3.81 1.24 HDO
O2(g) -61.98 -64.88 -2.89 O2 O2(g) -61.53 -64.42 -2.89 O2
O[18O](g) -64.68 -67.57 -2.89 O[18O] O[18O](g) -64.23 -67.12 -2.89 O[18O]
------------------ ------------------

63734
ex20b.out
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402
ex21_radial.out
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@ -98,8 +98,8 @@ Initial solution 0. column with only cell 1, two boundary solutions 0 and 2.
Elements Molality Moles Elements Molality Moles
Cl 1.000e-003 1.000e-003 Cl 1.000e-03 1.000e-03
Na 1.000e-003 1.000e-003 Na 1.000e-03 1.000e-03
----------------------------Description of solution---------------------------- ----------------------------Description of solution----------------------------
@ -108,35 +108,35 @@ Initial solution 0. column with only cell 1, two boundary solutions 0 and 2.
Specific Conductance (uS/cm, 25 oC) = 123 Specific Conductance (uS/cm, 25 oC) = 123
Density (g/cm3) = 0.99709 Density (g/cm3) = 0.99709
Activity of water = 1.000 Activity of water = 1.000
Ionic strength = 1.000e-003 Ionic strength = 1.000e-03
Mass of water (kg) = 1.000e+000 Mass of water (kg) = 1.000e+00
Total alkalinity (eq/kg) = 3.658e-010 Total alkalinity (eq/kg) = 3.658e-10
Total carbon (mol/kg) = 0.000e+000 Total carbon (mol/kg) = 0.000e+00
Total CO2 (mol/kg) = 0.000e+000 Total CO2 (mol/kg) = 0.000e+00
Temperature (deg C) = 25.00 Temperature (deg C) = 25.00
Electrical balance (eq) = -3.658e-010 Electrical balance (eq) = -3.658e-10
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00
Iterations = 3 Iterations = 3
Total H = 1.110124e+002 Total H = 1.110124e+02
Total O = 5.550622e+001 Total O = 5.550622e+01
----------------------------Distribution of species---------------------------- ----------------------------Distribution of species----------------------------
Log Log Log Log Log Log
Species Molality Activity Molality Activity Gamma Species Molality Activity Molality Activity Gamma
OH- 1.038e-007 1.001e-007 -6.984 -7.000 -0.016 OH- 1.038e-07 1.001e-07 -6.984 -7.000 -0.016
H+ 1.034e-007 1.000e-007 -6.985 -7.000 -0.015 H+ 1.034e-07 1.000e-07 -6.985 -7.000 -0.015
H2O 5.551e+001 1.000e+000 1.744 -0.000 0.000 H2O 5.551e+01 1.000e+00 1.744 -0.000 0.000
Cl 1.000e-003 Cl 1.000e-03
Cl- 1.000e-003 9.649e-004 -3.000 -3.016 -0.016 Cl- 1.000e-03 9.649e-04 -3.000 -3.016 -0.016
H(0) 1.416e-025 H(0) 1.416e-25
H2 7.078e-026 7.079e-026 -25.150 -25.150 0.000 H2 7.078e-26 7.079e-26 -25.150 -25.150 0.000
Na 1.000e-003 Na 1.000e-03
Na+ 1.000e-003 9.652e-004 -3.000 -3.015 -0.015 Na+ 1.000e-03 9.652e-04 -3.000 -3.015 -0.015
NaOH 6.375e-011 6.377e-011 -10.196 -10.195 0.000 NaOH 6.375e-11 6.377e-11 -10.196 -10.195 0.000
O(0) 0.000e+000 O(0) 0.000e+00
O2 0.000e+000 0.000e+000 -42.080 -42.080 0.000 O2 0.000e+00 0.000e+00 -42.080 -42.080 0.000
------------------------------Saturation indices------------------------------- ------------------------------Saturation indices-------------------------------
@ -423,15 +423,15 @@ WARNING: USER_PUNCH: Headings count doesn't match number of calls to PUNCH.
Elements Molality Moles Elements Molality Moles
Alkalinity 4.760e-004 9.520e-005 Alkalinity 4.760e-04 9.520e-05
Ca 2.580e-002 5.160e-003 Ca 2.580e-02 5.160e-03
Cl 3.000e-001 6.000e-002 Cl 3.000e-01 6.000e-02
Hto 1.140e-006 2.280e-007 Hto 1.140e-06 2.280e-07
K 1.610e-003 3.220e-004 K 1.610e-03 3.220e-04
Mg 1.690e-002 3.380e-003 Mg 1.690e-02 3.380e-03
Na 2.400e-001 4.800e-002 Na 2.400e-01 4.800e-02
S(6) 1.410e-002 2.820e-003 S(6) 1.410e-02 2.820e-03
Sr 5.050e-004 1.010e-004 Sr 5.050e-04 1.010e-04
----------------------------Description of solution---------------------------- ----------------------------Description of solution----------------------------
@ -440,83 +440,83 @@ WARNING: USER_PUNCH: Headings count doesn't match number of calls to PUNCH.
Specific Conductance (uS/cm, 23 oC) = 29744 Specific Conductance (uS/cm, 23 oC) = 29744
Density (g/cm3) = 1.01172 Density (g/cm3) = 1.01172
Activity of water = 0.990 Activity of water = 0.990
Ionic strength = 3.652e-001 Ionic strength = 3.652e-01
Mass of water (kg) = 2.000e-001 Mass of water (kg) = 2.000e-01
Total carbon (mol/kg) = 4.788e-004 Total carbon (mol/kg) = 4.788e-04
Total CO2 (mol/kg) = 4.788e-004 Total CO2 (mol/kg) = 4.788e-04
Temperature (deg C) = 23.00 Temperature (deg C) = 23.00
Electrical balance (eq) = -1.312e-004 Electrical balance (eq) = -1.312e-04
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.10 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.10
Iterations = 6 Iterations = 6
Total H = 2.220258e+001 Total H = 2.220258e+01
Total O = 1.111286e+001 Total O = 1.111286e+01
----------------------------Distribution of species---------------------------- ----------------------------Distribution of species----------------------------
Log Log Log Log Log Log
Species Molality Activity Molality Activity Gamma Species Molality Activity Molality Activity Gamma
OH- 5.138e-007 3.386e-007 -6.289 -6.470 -0.181 OH- 5.138e-07 3.386e-07 -6.289 -6.470 -0.181
H+ 3.237e-008 2.512e-008 -7.490 -7.600 -0.110 H+ 3.237e-08 2.512e-08 -7.490 -7.600 -0.110
H2O 5.551e+001 9.899e-001 1.744 -0.004 0.000 H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000
C(4) 4.788e-004 C(4) 4.788e-04
HCO3- 3.789e-004 2.694e-004 -3.421 -3.570 -0.148 HCO3- 3.789e-04 2.694e-04 -3.421 -3.570 -0.148
CaHCO3+ 3.068e-005 2.182e-005 -4.513 -4.661 -0.148 CaHCO3+ 3.068e-05 2.182e-05 -4.513 -4.661 -0.148
NaHCO3 2.379e-005 2.588e-005 -4.624 -4.587 0.037 NaHCO3 2.379e-05 2.588e-05 -4.624 -4.587 0.037
MgHCO3+ 1.977e-005 1.447e-005 -4.704 -4.840 -0.136 MgHCO3+ 1.977e-05 1.447e-05 -4.704 -4.840 -0.136
CO2 1.450e-005 1.577e-005 -4.839 -4.802 0.037 CO2 1.450e-05 1.577e-05 -4.839 -4.802 0.037
CaCO3 4.698e-006 5.110e-006 -5.328 -5.292 0.037 CaCO3 4.698e-06 5.110e-06 -5.328 -5.292 0.037
MgCO3 1.900e-006 2.067e-006 -5.721 -5.685 0.037 MgCO3 1.900e-06 2.067e-06 -5.721 -5.685 0.037
NaCO3- 1.895e-006 1.387e-006 -5.722 -5.858 -0.136 NaCO3- 1.895e-06 1.387e-06 -5.722 -5.858 -0.136
CO3-2 1.889e-006 4.825e-007 -5.724 -6.316 -0.593 CO3-2 1.889e-06 4.825e-07 -5.724 -6.316 -0.593
SrHCO3+ 6.950e-007 4.941e-007 -6.158 -6.306 -0.148 SrHCO3+ 6.950e-07 4.941e-07 -6.158 -6.306 -0.148
SrCO3 3.428e-008 3.729e-008 -7.465 -7.428 0.037 SrCO3 3.428e-08 3.729e-08 -7.465 -7.428 0.037
Ca 2.580e-002 Ca 2.580e-02
Ca+2 2.357e-002 6.553e-003 -1.628 -2.184 -0.556 Ca+2 2.357e-02 6.553e-03 -1.628 -2.184 -0.556
CaSO4 2.192e-003 2.384e-003 -2.659 -2.623 0.037 CaSO4 2.192e-03 2.384e-03 -2.659 -2.623 0.037
CaHCO3+ 3.068e-005 2.182e-005 -4.513 -4.661 -0.148 CaHCO3+ 3.068e-05 2.182e-05 -4.513 -4.661 -0.148
CaCO3 4.698e-006 5.110e-006 -5.328 -5.292 0.037 CaCO3 4.698e-06 5.110e-06 -5.328 -5.292 0.037
CaOH+ 5.856e-008 4.286e-008 -7.232 -7.368 -0.136 CaOH+ 5.856e-08 4.286e-08 -7.232 -7.368 -0.136
CaHSO4+ 4.678e-010 3.423e-010 -9.330 -9.466 -0.136 CaHSO4+ 4.678e-10 3.423e-10 -9.330 -9.466 -0.136
Cl 3.000e-001 Cl 3.000e-01
Cl- 3.000e-001 2.002e-001 -0.523 -0.699 -0.176 Cl- 3.000e-01 2.002e-01 -0.523 -0.699 -0.176
H(0) 0.000e+000 H(0) 0.000e+00
H2 0.000e+000 0.000e+000 -44.617 -44.580 0.037 H2 0.000e+00 0.000e+00 -44.617 -44.580 0.037
Hto 1.140e-006 Hto 1.140e-06
Hto 1.140e-006 1.140e-006 -5.943 -5.943 0.000 Hto 1.140e-06 1.140e-06 -5.943 -5.943 0.000
K 1.610e-003 K 1.610e-03
K+ 1.592e-003 1.062e-003 -2.798 -2.974 -0.176 K+ 1.592e-03 1.062e-03 -2.798 -2.974 -0.176
KSO4- 1.830e-005 1.339e-005 -4.738 -4.873 -0.136 KSO4- 1.830e-05 1.339e-05 -4.738 -4.873 -0.136
KOH 1.334e-010 1.452e-010 -9.875 -9.838 0.037 KOH 1.334e-10 1.452e-10 -9.875 -9.838 0.037
Mg 1.690e-002 Mg 1.690e-02
Mg+2 1.512e-002 4.629e-003 -1.821 -2.335 -0.514 Mg+2 1.512e-02 4.629e-03 -1.821 -2.335 -0.514
MgSO4 1.760e-003 1.914e-003 -2.754 -2.718 0.037 MgSO4 1.760e-03 1.914e-03 -2.754 -2.718 0.037
MgHCO3+ 1.977e-005 1.447e-005 -4.704 -4.840 -0.136 MgHCO3+ 1.977e-05 1.447e-05 -4.704 -4.840 -0.136
MgCO3 1.900e-006 2.067e-006 -5.721 -5.685 0.037 MgCO3 1.900e-06 2.067e-06 -5.721 -5.685 0.037
MgOH+ 7.546e-007 5.522e-007 -6.122 -6.258 -0.136 MgOH+ 7.546e-07 5.522e-07 -6.122 -6.258 -0.136
Na 2.400e-001 Na 2.400e-01
Na+ 2.378e-001 1.708e-001 -0.624 -0.767 -0.144 Na+ 2.378e-01 1.708e-01 -0.624 -0.767 -0.144
NaSO4- 2.146e-003 1.571e-003 -2.668 -2.804 -0.136 NaSO4- 2.146e-03 1.571e-03 -2.668 -2.804 -0.136
NaHCO3 2.379e-005 2.588e-005 -4.624 -4.587 0.037 NaHCO3 2.379e-05 2.588e-05 -4.624 -4.587 0.037
NaCO3- 1.895e-006 1.387e-006 -5.722 -5.858 -0.136 NaCO3- 1.895e-06 1.387e-06 -5.722 -5.858 -0.136
NaOH 4.089e-008 4.448e-008 -7.388 -7.352 0.037 NaOH 4.089e-08 4.448e-08 -7.388 -7.352 0.037
O(0) 2.437e-004 O(0) 2.437e-04
O2 1.219e-004 1.325e-004 -3.914 -3.878 0.037 O2 1.219e-04 1.325e-04 -3.914 -3.878 0.037
S(6) 1.410e-002 S(6) 1.410e-02
SO4-2 7.942e-003 1.858e-003 -2.100 -2.731 -0.631 SO4-2 7.942e-03 1.858e-03 -2.100 -2.731 -0.631
CaSO4 2.192e-003 2.384e-003 -2.659 -2.623 0.037 CaSO4 2.192e-03 2.384e-03 -2.659 -2.623 0.037
NaSO4- 2.146e-003 1.571e-003 -2.668 -2.804 -0.136 NaSO4- 2.146e-03 1.571e-03 -2.668 -2.804 -0.136
MgSO4 1.760e-003 1.914e-003 -2.754 -2.718 0.037 MgSO4 1.760e-03 1.914e-03 -2.754 -2.718 0.037
SrSO4 4.177e-005 4.543e-005 -4.379 -4.343 0.037 SrSO4 4.177e-05 4.543e-05 -4.379 -4.343 0.037
KSO4- 1.830e-005 1.339e-005 -4.738 -4.873 -0.136 KSO4- 1.830e-05 1.339e-05 -4.738 -4.873 -0.136
HSO4- 5.938e-009 4.346e-009 -8.226 -8.362 -0.136 HSO4- 5.938e-09 4.346e-09 -8.226 -8.362 -0.136
CaHSO4+ 4.678e-010 3.423e-010 -9.330 -9.466 -0.136 CaHSO4+ 4.678e-10 3.423e-10 -9.330 -9.466 -0.136
Sr 5.050e-004 Sr 5.050e-04
Sr+2 4.625e-004 1.284e-004 -3.335 -3.891 -0.557 Sr+2 4.625e-04 1.284e-04 -3.335 -3.891 -0.557
SrSO4 4.177e-005 4.543e-005 -4.379 -4.343 0.037 SrSO4 4.177e-05 4.543e-05 -4.379 -4.343 0.037
SrHCO3+ 6.950e-007 4.941e-007 -6.158 -6.306 -0.148 SrHCO3+ 6.950e-07 4.941e-07 -6.158 -6.306 -0.148
SrCO3 3.428e-008 3.729e-008 -7.465 -7.428 0.037 SrCO3 3.428e-08 3.729e-08 -7.465 -7.428 0.037
SrOH+ 3.701e-010 2.595e-010 -9.432 -9.586 -0.154 SrOH+ 3.701e-10 2.595e-10 -9.432 -9.586 -0.154
------------------------------Saturation indices------------------------------- ------------------------------Saturation indices-------------------------------
@ -550,7 +550,7 @@ Reading input data for simulation 3.
reset false reset false
user_print true user_print true
SOLUTION 4 SOLUTION 4
water 1.3963e-003 water 1.3963e-03
pH 7.6 pH 7.6
pe 14 O2(g) -1.0 pe 14 O2(g) -1.0
temp 23 temp 23
@ -564,7 +564,7 @@ Reading input data for simulation 3.
Fe(2) 0.0 Fe(2) 0.0
Alkalinity 0.476 Alkalinity 0.476
SOLUTION 5 SOLUTION 5
water 7.7322e-005 water 7.7322e-05
pH 7.6 pH 7.6
pe 14 O2(g) -1.0 pe 14 O2(g) -1.0
temp 23 temp 23
@ -579,15 +579,15 @@ Reading input data for simulation 3.
Alkalinity 0.476 Alkalinity 0.476
SURFACE 5 SURFACE 5
equilibrate 5 equilibrate 5
Su_ 5.0965e-004 5.2840e+005 6.6087e-004 Su_ 5.0965e-04 5.2840e+05 6.6087e-04
Su_ii 7.4371e-006 Su_ii 7.4371e-06
Su_fes 6.9841e-007 Su_fes 6.9841e-07
donnan 1.6711e-009 donnan 1.6711e-09
EXCHANGE 5 EXCHANGE 5
equilibrate 5 equilibrate 5
X 6.2290e-004 X 6.2290e-04
SOLUTION 6 SOLUTION 6
water 9.5113e-005 water 9.5113e-05
pH 7.6 pH 7.6
pe 14 O2(g) -1.0 pe 14 O2(g) -1.0
temp 23 temp 23
@ -602,15 +602,15 @@ Reading input data for simulation 3.
Alkalinity 0.476 Alkalinity 0.476
SURFACE 6 SURFACE 6
equilibrate 6 equilibrate 6
Su_ 6.2692e-004 5.2840e+005 8.1293e-004 Su_ 6.2692e-04 5.2840e+05 8.1293e-04
Su_ii 9.1484e-006 Su_ii 9.1484e-06
Su_fes 8.5911e-007 Su_fes 8.5911e-07
donnan 1.6711e-009 donnan 1.6711e-09
EXCHANGE 6 EXCHANGE 6
equilibrate 6 equilibrate 6
X 7.6624e-004 X 7.6624e-04
SOLUTION 7 SOLUTION 7
water 1.1291e-004 water 1.1291e-04
pH 7.6 pH 7.6
pe 14 O2(g) -1.0 pe 14 O2(g) -1.0
temp 23 temp 23
@ -625,15 +625,15 @@ Reading input data for simulation 3.
Alkalinity 0.476 Alkalinity 0.476
SURFACE 7 SURFACE 7
equilibrate 7 equilibrate 7
Su_ 7.4419e-004 5.2840e+005 9.6500e-004 Su_ 7.4419e-04 5.2840e+05 9.6500e-04
Su_ii 1.0860e-005 Su_ii 1.0860e-05
Su_fes 1.0198e-006 Su_fes 1.0198e-06
donnan 1.6711e-009 donnan 1.6711e-09
EXCHANGE 7 EXCHANGE 7
equilibrate 7 equilibrate 7
X 9.0957e-004 X 9.0957e-04
SOLUTION 8 SOLUTION 8
water 1.3070e-004 water 1.3070e-04
pH 7.6 pH 7.6
pe 14 O2(g) -1.0 pe 14 O2(g) -1.0
temp 23 temp 23
@ -648,15 +648,15 @@ Reading input data for simulation 3.
Alkalinity 0.476 Alkalinity 0.476
SURFACE 8 SURFACE 8
equilibrate 8 equilibrate 8
Su_ 8.6146e-004 5.2840e+005 1.1171e-003 Su_ 8.6146e-04 5.2840e+05 1.1171e-03
Su_ii 1.2571e-005 Su_ii 1.2571e-05
Su_fes 1.1805e-006 Su_fes 1.1805e-06
donnan 1.6711e-009 donnan 1.6711e-09
EXCHANGE 8 EXCHANGE 8
equilibrate 8 equilibrate 8
X 1.0529e-003 X 1.0529e-03
SOLUTION 9 SOLUTION 9
water 1.4849e-004 water 1.4849e-04
pH 7.6 pH 7.6
pe 14 O2(g) -1.0 pe 14 O2(g) -1.0
temp 23 temp 23
@ -671,15 +671,15 @@ Reading input data for simulation 3.
Alkalinity 0.476 Alkalinity 0.476
SURFACE 9 SURFACE 9
equilibrate 9 equilibrate 9
Su_ 9.7873e-004 5.2840e+005 1.2691e-003 Su_ 9.7873e-04 5.2840e+05 1.2691e-03
Su_ii 1.4282e-005 Su_ii 1.4282e-05
Su_fes 1.3412e-006 Su_fes 1.3412e-06
donnan 1.6711e-009 donnan 1.6711e-09
EXCHANGE 9 EXCHANGE 9
equilibrate 9 equilibrate 9
X 1.1962e-003 X 1.1962e-03
SOLUTION 10 SOLUTION 10
water 1.6628e-004 water 1.6628e-04
pH 7.6 pH 7.6
pe 14 O2(g) -1.0 pe 14 O2(g) -1.0
temp 23 temp 23
@ -694,15 +694,15 @@ Reading input data for simulation 3.
Alkalinity 0.476 Alkalinity 0.476
SURFACE 10 SURFACE 10
equilibrate 10 equilibrate 10
Su_ 1.0960e-003 5.2840e+005 1.4212e-003 Su_ 1.0960e-03 5.2840e+05 1.4212e-03
Su_ii 1.5994e-005 Su_ii 1.5994e-05
Su_fes 1.5019e-006 Su_fes 1.5019e-06
donnan 1.6711e-009 donnan 1.6711e-09
EXCHANGE 10 EXCHANGE 10
equilibrate 10 equilibrate 10
X 1.3396e-003 X 1.3396e-03
SOLUTION 11 SOLUTION 11
water 1.8407e-004 water 1.8407e-04
pH 7.6 pH 7.6
pe 14 O2(g) -1.0 pe 14 O2(g) -1.0
temp 23 temp 23
@ -717,15 +717,15 @@ Reading input data for simulation 3.
Alkalinity 0.476 Alkalinity 0.476
SURFACE 11 SURFACE 11
equilibrate 11 equilibrate 11
Su_ 1.2133e-003 5.2840e+005 1.5733e-003 Su_ 1.2133e-03 5.2840e+05 1.5733e-03
Su_ii 1.7705e-005 Su_ii 1.7705e-05
Su_fes 1.6626e-006 Su_fes 1.6626e-06
donnan 1.6711e-009 donnan 1.6711e-09
EXCHANGE 11 EXCHANGE 11
equilibrate 11 equilibrate 11
X 1.4829e-003 X 1.4829e-03
SOLUTION 12 SOLUTION 12
water 2.0186e-004 water 2.0186e-04
pH 7.6 pH 7.6
pe 14 O2(g) -1.0 pe 14 O2(g) -1.0
temp 23 temp 23
@ -740,15 +740,15 @@ Reading input data for simulation 3.
Alkalinity 0.476 Alkalinity 0.476
SURFACE 12 SURFACE 12
equilibrate 12 equilibrate 12
Su_ 1.3305e-003 5.2840e+005 1.7253e-003 Su_ 1.3305e-03 5.2840e+05 1.7253e-03
Su_ii 1.9416e-005 Su_ii 1.9416e-05
Su_fes 1.8233e-006 Su_fes 1.8233e-06
donnan 1.6711e-009 donnan 1.6711e-09
EXCHANGE 12 EXCHANGE 12
equilibrate 12 equilibrate 12
X 1.6262e-003 X 1.6262e-03
SOLUTION 13 SOLUTION 13
water 2.1966e-004 water 2.1966e-04
pH 7.6 pH 7.6
pe 14 O2(g) -1.0 pe 14 O2(g) -1.0
temp 23 temp 23
@ -763,15 +763,15 @@ Reading input data for simulation 3.
Alkalinity 0.476 Alkalinity 0.476
SURFACE 13 SURFACE 13
equilibrate 13 equilibrate 13
Su_ 1.4478e-003 5.2840e+005 1.8774e-003 Su_ 1.4478e-03 5.2840e+05 1.8774e-03
Su_ii 2.1127e-005 Su_ii 2.1127e-05
Su_fes 1.9840e-006 Su_fes 1.9840e-06
donnan 1.6711e-009 donnan 1.6711e-09
EXCHANGE 13 EXCHANGE 13
equilibrate 13 equilibrate 13
X 1.7696e-003 X 1.7696e-03
SOLUTION 14 SOLUTION 14
water 2.3745e-004 water 2.3745e-04
pH 7.6 pH 7.6
pe 14 O2(g) -1.0 pe 14 O2(g) -1.0
temp 23 temp 23
@ -786,15 +786,15 @@ Reading input data for simulation 3.
Alkalinity 0.476 Alkalinity 0.476
SURFACE 14 SURFACE 14
equilibrate 14 equilibrate 14
Su_ 1.5651e-003 5.2840e+005 2.0295e-003 Su_ 1.5651e-03 5.2840e+05 2.0295e-03
Su_ii 2.2839e-005 Su_ii 2.2839e-05
Su_fes 2.1448e-006 Su_fes 2.1448e-06
donnan 1.6711e-009 donnan 1.6711e-09
EXCHANGE 14 EXCHANGE 14
equilibrate 14 equilibrate 14
X 1.9129e-003 X 1.9129e-03
SOLUTION 15 SOLUTION 15
water 2.5524e-004 water 2.5524e-04
pH 7.6 pH 7.6
pe 14 O2(g) -1.0 pe 14 O2(g) -1.0
temp 23 temp 23
@ -809,15 +809,15 @@ Reading input data for simulation 3.
Alkalinity 0.476 Alkalinity 0.476
SURFACE 15 SURFACE 15
equilibrate 15 equilibrate 15
Su_ 1.6824e-003 5.2840e+005 2.1815e-003 Su_ 1.6824e-03 5.2840e+05 2.1815e-03
Su_ii 2.4550e-005 Su_ii 2.4550e-05
Su_fes 2.3055e-006 Su_fes 2.3055e-06
donnan 1.6711e-009 donnan 1.6711e-09
EXCHANGE 15 EXCHANGE 15
equilibrate 15 equilibrate 15
X 2.0562e-003 X 2.0562e-03
SOLUTION 16 SOLUTION 16
water 5.0266e-003 water 5.0266e-03
pH 7.6 pH 7.6
pe 14 O2(g) -1.0 pe 14 O2(g) -1.0
temp 23 temp 23
@ -831,7 +831,7 @@ Reading input data for simulation 3.
Fe(2) 0.0 Fe(2) 0.0
Alkalinity 0.476 Alkalinity 0.476
SOLUTION 17 SOLUTION 17
water 2.0000e-001 water 2.0000e-01
pH 7.6 pH 7.6
pe 14 O2(g) -1.0 pe 14 O2(g) -1.0
temp 23 temp 23
@ -862,33 +862,33 @@ Reading input data for simulation 3.
A_Hto 0 0 A_Hto 0 0
END END
MIX 3 MIX 3
4 6.6932e-004 4 6.6932e-04
MIX 4 MIX 4
5 1.9640e-004 5 1.9640e-04
MIX 5 MIX 5
6 1.5725e-004 6 1.5725e-04
MIX 6 MIX 6
7 1.8971e-004 7 1.8971e-04
MIX 7 MIX 7
8 2.2216e-004 8 2.2216e-04
MIX 8 MIX 8
9 2.5461e-004 9 2.5461e-04
MIX 9 MIX 9
10 2.8706e-004 10 2.8706e-04
MIX 10 MIX 10
11 3.1951e-004 11 3.1951e-04
MIX 11 MIX 11
12 3.5196e-004 12 3.5196e-04
MIX 12 MIX 12
13 3.8441e-004 13 3.8441e-04
MIX 13 MIX 13
14 4.1686e-004 14 4.1686e-04
MIX 14 MIX 14
15 4.4931e-004 15 4.4931e-04
MIX 15 MIX 15
16 7.7653e-004 16 7.7653e-04
MIX 16 MIX 16
17 4.2533e-003 17 4.2533e-03
END END
TRANSPORT TRANSPORT
warnings true warnings true
@ -897,8 +897,8 @@ Reading input data for simulation 3.
cells 1 cells 1
bcond 1 2 bcond 1 2
stagnant 15 stagnant 15
timest 1.5429e+003 timest 1.5429e+03
multi_d true 2.5000e-009 1.5900e-001 0.0 9.9000e-001 multi_d true 2.5000e-09 1.5900e-01 0.0 9.9000e-01
interlayer_d false 0.04 0.0 750 interlayer_d false 0.04 0.0 750
punch_frequency 14 punch_frequency 14
punch_cells 17 punch_cells 17
@ -912,12 +912,12 @@ WARNING: No dispersivities were read; disp = 0 assumed.
-plot_concentration_vs time -plot_concentration_vs time
10 days = total_time / (3600 * 24) 10 days = total_time / (3600 * 24)
20 IF INSTR("Hto", "C") THEN mm = 1 ELSE mm = 1e-3 20 IF INSTR("Hto", "C") THEN mm = 1 ELSE mm = 1e-3
30 s1 = 1.0000e+015 * mm 30 s1 = 1.0000e+15 * mm
40 s2 = 1e+011 * mm 40 s2 = 1e+11 * mm
50 a = equi("A_Hto") * s2 50 a = equi("A_Hto") * s2
60 IF get(1) = 0 AND total_time > 0 THEN put(total_time, 1) 60 IF get(1) = 0 AND total_time > 0 THEN put(total_time, 1)
70 dt = get(1) 70 dt = get(1)
80 plot_xy days - dt / (2 * 3600 * 24), (a - get(2)) * s1 / s2 / dt / 8.2988e-003, color = Green, symbol = None 80 plot_xy days - dt / (2 * 3600 * 24), (a - get(2)) * s1 / s2 / dt / 8.2988e-03, color = Green, symbol = None
90 put(a, 2) 90 put(a, 2)
100 plot_xy days, equi("A_Hto") * s2, y_axis = 2, color = Red, symbol = None 100 plot_xy days, equi("A_Hto") * s2, y_axis = 2, color = Red, symbol = None
END END
@ -925,7 +925,7 @@ WARNING: Maximum iterations exceeded, 2000
WARNING: Numerical method failed with this set of convergence parameters. WARNING: Numerical method failed with this set of convergence parameters.
WARNING: Trying reduced tolerance 1e-016 ... WARNING: Trying reduced tolerance 1e-16 ...
TRANSPORT TRANSPORT
shifts 0 shifts 0
@ -935,34 +935,34 @@ WARNING: Trying reduced tolerance 1e-016 ...
-detach -detach
USER_GRAPH 5 Example 21 USER_GRAPH 5 Example 21
-chart_title "Hto Concentration Profile: Filter1 | Clay | Filter2" -chart_title "Hto Concentration Profile: Filter1 | Clay | Filter2"
-axis_scale x_axis 0 2.2220e+001 -axis_scale x_axis 0 2.2220e+01
-axis_scale y_axis 0 1.2000e-006 -axis_scale y_axis 0 1.2000e-06
-axis_scale sy_axis 0 1.2000e-006 -axis_scale sy_axis 0 1.2000e-06
-axis_titles "DISTANCE, IN MILLIMETERS" "FREE PORE-WATER MOLALITY" "TOTAL MOLALITY" -axis_titles "DISTANCE, IN MILLIMETERS" "FREE PORE-WATER MOLALITY" "TOTAL MOLALITY"
-headings Hto_free Hto_tot -headings Hto_free Hto_tot
-plot_concentration_vs x -plot_concentration_vs x
-initial_solutions true -initial_solutions true
10 IF cell_no = 3 THEN xval = 0 ELSE xval = get(14) 10 IF cell_no = 3 THEN xval = 0 ELSE xval = get(14)
20 IF (1 = 0 OR cell_no > 4) THEN GOTO 60 20 IF (1 = 0 OR cell_no > 4) THEN GOTO 60
30 IF (cell_no = 4) THEN xval = xval + 0.5 * 1.8000e-003 30 IF (cell_no = 4) THEN xval = xval + 0.5 * 1.8000e-03
40 IF (cell_no > 4 AND cell_no < 5) THEN xval = xval + 1.8000e-003 40 IF (cell_no > 4 AND cell_no < 5) THEN xval = xval + 1.8000e-03
50 GOTO 200 50 GOTO 200
60 IF (cell_no = 5) THEN xval = xval + 0.5 * 1.8000e-003 + 0.5 * 1.7109e-003 60 IF (cell_no = 5) THEN xval = xval + 0.5 * 1.8000e-03 + 0.5 * 1.7109e-03
70 IF (cell_no > 5 AND cell_no < 16) THEN xval = xval + 1.7109e-003 ELSE GOTO 90 70 IF (cell_no > 5 AND cell_no < 16) THEN xval = xval + 1.7109e-03 ELSE GOTO 90
80 GOTO 200 80 GOTO 200
90 IF (cell_no = 16) THEN xval = xval + 0.5 * 1.7109e-003 + 0.5 * 1.6000e-003 90 IF (cell_no = 16) THEN xval = xval + 0.5 * 1.7109e-03 + 0.5 * 1.6000e-03
100 IF (cell_no > 16 AND cell_no <= 16) THEN xval = xval + 1.6000e-003 100 IF (cell_no > 16 AND cell_no <= 16) THEN xval = xval + 1.6000e-03
110 IF (cell_no = 17) THEN xval = xval + 0.5 * 1.6000e-003 110 IF (cell_no = 17) THEN xval = xval + 0.5 * 1.6000e-03
200 y1 = TOT("Hto") 200 y1 = TOT("Hto")
210 plot_xy xval * 1e3, y1, color = Blue, symbol = Plus 210 plot_xy xval * 1e3, y1, color = Blue, symbol = Plus
220 IF cell_no = 3 THEN put(y1, 15) 220 IF cell_no = 3 THEN put(y1, 15)
230 IF (cell_no < 5 OR cell_no > 15) THEN GOTO 400 230 IF (cell_no < 5 OR cell_no > 15) THEN GOTO 400
240 y2 = SYS("Hto") / (tot("water") + edl("water")) 240 y2 = SYS("Hto") / (tot("water") + edl("water"))
250 REM y2 = y2 / 1.4281e+001 250 REM y2 = y2 / 1.4281e+01# conc / kg solid
260 plot_xy xval * 1e3, y2, symbol = Circle, y_axis = 2 260 plot_xy xval * 1e3, y2, symbol = Circle, y_axis = 2
270 IF (cell_no > 6) THEN GOTO 400 270 IF (cell_no > 6) THEN GOTO 400
280 IF 1 THEN plot_xy 1.8000e+000, get(15), color = Black, symbol = None 280 IF 1 THEN plot_xy 1.8000e+00, get(15), color = Black, symbol = None
290 IF 1 THEN plot_xy 2.0620e+001, get(15), color = Black, symbol = None 290 IF 1 THEN plot_xy 2.0620e+01, get(15), color = Black, symbol = None
300 put(0, 15) 300 put(0, 15)
400 put(xval, 14) 400 put(xval, 14)
END END

734
ex3.out
View File

@ -53,30 +53,30 @@ Initial solution 1. Pure water
Specific Conductance (uS/cm, 25 oC) = 0 Specific Conductance (uS/cm, 25 oC) = 0
Density (g/cm3) = 0.99705 Density (g/cm3) = 0.99705
Activity of water = 1.000 Activity of water = 1.000
Ionic strength = 1.001e-007 Ionic strength = 1.001e-07
Mass of water (kg) = 1.000e+000 Mass of water (kg) = 1.000e+00
Total alkalinity (eq/kg) = 1.082e-010 Total alkalinity (eq/kg) = 1.082e-10
Total carbon (mol/kg) = 0.000e+000 Total carbon (mol/kg) = 0.000e+00
Total CO2 (mol/kg) = 0.000e+000 Total CO2 (mol/kg) = 0.000e+00
Temperature (deg C) = 25.00 Temperature (deg C) = 25.00
Electrical balance (eq) = -1.082e-010 Electrical balance (eq) = -1.082e-10
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.05 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.05
Iterations = 0 Iterations = 0
Total H = 1.110124e+002 Total H = 1.110124e+02
Total O = 5.550622e+001 Total O = 5.550622e+01
----------------------------Distribution of species---------------------------- ----------------------------Distribution of species----------------------------
Log Log Log Log Log Log
Species Molality Activity Molality Activity Gamma Species Molality Activity Molality Activity Gamma
OH- 1.002e-007 1.001e-007 -6.999 -6.999 -0.000 OH- 1.002e-07 1.001e-07 -6.999 -6.999 -0.000
H+ 1.001e-007 1.000e-007 -7.000 -7.000 -0.000 H+ 1.001e-07 1.000e-07 -7.000 -7.000 -0.000
H2O 5.551e+001 1.000e+000 1.744 0.000 0.000 H2O 5.551e+01 1.000e+00 1.744 0.000 0.000
H(0) 1.416e-025 H(0) 1.416e-25
H2 7.079e-026 7.079e-026 -25.150 -25.150 0.000 H2 7.079e-26 7.079e-26 -25.150 -25.150 0.000
O(0) 0.000e+000 O(0) 0.000e+00
O2 0.000e+000 0.000e+000 -42.080 -42.080 0.000 O2 0.000e+00 0.000e+00 -42.080 -42.080 0.000
------------------------------Saturation indices------------------------------- ------------------------------Saturation indices-------------------------------
@ -101,59 +101,59 @@ Using pure phase assemblage 1.
Moles in assemblage Moles in assemblage
Phase SI log IAP log K(T, P) Initial Final Delta Phase SI log IAP log K(T, P) Initial Final Delta
Calcite 0.00 -8.48 -8.48 1.000e+001 9.998e+000 -1.646e-003 Calcite 0.00 -8.48 -8.48 1.000e+01 9.998e+00 -1.646e-03
CO2(g) -2.00 -3.47 -1.47 1.000e+001 9.998e+000 -1.976e-003 CO2(g) -2.00 -3.47 -1.47 1.000e+01 9.998e+00 -1.976e-03
-----------------------------Solution composition------------------------------ -----------------------------Solution composition------------------------------
Elements Molality Moles Elements Molality Moles
C 3.622e-003 3.622e-003 C 3.622e-03 3.622e-03
Ca 1.646e-003 1.646e-003 Ca 1.646e-03 1.646e-03
----------------------------Description of solution---------------------------- ----------------------------Description of solution----------------------------
pH = 7.297 Charge balance pH = 7.297 Charge balance
pe = -0.985 Adjusted to redox equilibrium pe = -0.986 Adjusted to redox equilibrium
Specific Conductance (uS/cm, 25 oC) = 306 Specific Conductance (uS/cm, 25 oC) = 306
Density (g/cm3) = 0.99726 Density (g/cm3) = 0.99726
Activity of water = 1.000 Activity of water = 1.000
Ionic strength = 4.826e-003 Ionic strength = 4.826e-03
Mass of water (kg) = 1.000e+000 Mass of water (kg) = 1.000e+00
Total alkalinity (eq/kg) = 3.291e-003 Total alkalinity (eq/kg) = 3.291e-03
Total CO2 (mol/kg) = 3.622e-003 Total CO2 (mol/kg) = 3.622e-03
Temperature (deg C) = 25.00 Temperature (deg C) = 25.00
Electrical balance (eq) = -1.082e-010 Electrical balance (eq) = -1.082e-10
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00
Iterations = 16 Iterations = 16
Total H = 1.110124e+002 Total H = 1.110124e+02
Total O = 5.551511e+001 Total O = 5.551511e+01
----------------------------Distribution of species---------------------------- ----------------------------Distribution of species----------------------------
Log Log Log Log Log Log
Species Molality Activity Molality Activity Gamma Species Molality Activity Molality Activity Gamma
OH- 2.137e-007 1.982e-007 -6.670 -6.703 -0.033 OH- 2.137e-07 1.982e-07 -6.670 -6.703 -0.033
H+ 5.403e-008 5.050e-008 -7.267 -7.297 -0.029 H+ 5.403e-08 5.050e-08 -7.267 -7.297 -0.029
H2O 5.551e+001 9.999e-001 1.744 -0.000 0.000 H2O 5.551e+01 9.999e-01 1.744 -0.000 0.000
C(-4) 2.680e-030 C(-4) 2.718e-30
CH4 2.680e-030 2.683e-030 -29.572 -29.571 0.000 CH4 2.718e-30 2.722e-30 -29.566 -29.565 0.000
C(4) 3.622e-003 C(4) 3.622e-03
HCO3- 3.224e-003 2.998e-003 -2.492 -2.523 -0.032 HCO3- 3.224e-03 2.998e-03 -2.492 -2.523 -0.032
CO2 3.401e-004 3.405e-004 -3.468 -3.468 0.000 CO2 3.401e-04 3.405e-04 -3.468 -3.468 0.000
CaHCO3+ 4.894e-005 4.551e-005 -4.310 -4.342 -0.032 CaHCO3+ 4.894e-05 4.551e-05 -4.310 -4.342 -0.032
CaCO3 5.559e-006 5.565e-006 -5.255 -5.255 0.000 CaCO3 5.559e-06 5.565e-06 -5.255 -5.255 0.000
CO3-2 3.721e-006 2.784e-006 -5.429 -5.555 -0.126 CO3-2 3.721e-06 2.784e-06 -5.429 -5.555 -0.126
Ca 1.646e-003 Ca 1.646e-03
Ca+2 1.591e-003 1.190e-003 -2.798 -2.925 -0.126 Ca+2 1.591e-03 1.190e-03 -2.798 -2.925 -0.126
CaHCO3+ 4.894e-005 4.551e-005 -4.310 -4.342 -0.032 CaHCO3+ 4.894e-05 4.551e-05 -4.310 -4.342 -0.032
CaCO3 5.559e-006 5.565e-006 -5.255 -5.255 0.000 CaCO3 5.559e-06 5.565e-06 -5.255 -5.255 0.000
CaOH+ 4.212e-009 3.910e-009 -8.376 -8.408 -0.032 CaOH+ 4.212e-09 3.910e-09 -8.376 -8.408 -0.032
H(0) 3.366e-016 H(0) 3.378e-16
H2 1.683e-016 1.685e-016 -15.774 -15.773 0.000 H2 1.689e-16 1.691e-16 -15.772 -15.772 0.000
O(0) 0.000e+000 O(0) 0.000e+00
O2 0.000e+000 0.000e+000 -60.834 -60.833 0.000 O2 0.000e+00 0.000e+00 -60.837 -60.836 0.000
------------------------------Saturation indices------------------------------- ------------------------------Saturation indices-------------------------------
@ -165,7 +165,7 @@ O(0) 0.000e+000
CO2(g) -2.00 -3.47 -1.47 CO2 CO2(g) -2.00 -3.47 -1.47 CO2
H2(g) -12.62 -15.77 -3.15 H2 H2(g) -12.62 -15.77 -3.15 H2
H2O(g) -1.51 -0.00 1.51 H2O H2O(g) -1.51 -0.00 1.51 H2O
O2(g) -57.94 -60.83 -2.89 O2 O2(g) -57.94 -60.84 -2.89 O2
------------------ ------------------
@ -208,14 +208,14 @@ Initial solution 2. Seawater
Elements Molality Moles Elements Molality Moles
Alkalinity 2.406e-003 2.406e-003 Alkalinity 2.406e-03 2.406e-03
Ca 1.066e-002 1.066e-002 Ca 1.066e-02 1.066e-02
Cl 5.657e-001 5.657e-001 Cl 5.657e-01 5.657e-01
K 1.058e-002 1.058e-002 K 1.058e-02 1.058e-02
Mg 5.507e-002 5.507e-002 Mg 5.507e-02 5.507e-02
Na 4.854e-001 4.854e-001 Na 4.854e-01 4.854e-01
S(6) 2.926e-002 2.926e-002 S(6) 2.926e-02 2.926e-02
Si 7.382e-005 7.382e-005 Si 7.382e-05 7.382e-05
----------------------------Description of solution---------------------------- ----------------------------Description of solution----------------------------
@ -224,76 +224,76 @@ Initial solution 2. Seawater
Specific Conductance (uS/cm, 25 oC) = 52808 Specific Conductance (uS/cm, 25 oC) = 52808
Density (g/cm3) = 1.02328 Density (g/cm3) = 1.02328
Activity of water = 0.981 Activity of water = 0.981
Ionic strength = 6.748e-001 Ionic strength = 6.748e-01
Mass of water (kg) = 1.000e+000 Mass of water (kg) = 1.000e+00
Total carbon (mol/kg) = 2.180e-003 Total carbon (mol/kg) = 2.180e-03
Total CO2 (mol/kg) = 2.180e-003 Total CO2 (mol/kg) = 2.180e-03
Temperature (deg C) = 25.00 Temperature (deg C) = 25.00
Electrical balance (eq) = 7.967e-004 Electrical balance (eq) = 7.967e-04
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.07 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.07
Iterations = 7 Iterations = 7
Total H = 1.110147e+002 Total H = 1.110147e+02
Total O = 5.563008e+001 Total O = 5.563008e+01
----------------------------Distribution of species---------------------------- ----------------------------Distribution of species----------------------------
Log Log Log Log Log Log
Species Molality Activity Molality Activity Gamma Species Molality Activity Molality Activity Gamma
OH- 2.674e-006 1.629e-006 -5.573 -5.788 -0.215 OH- 2.674e-06 1.629e-06 -5.573 -5.788 -0.215
H+ 7.981e-009 6.026e-009 -8.098 -8.220 -0.122 H+ 7.981e-09 6.026e-09 -8.098 -8.220 -0.122
H2O 5.551e+001 9.806e-001 1.744 -0.009 0.000 H2O 5.551e+01 9.806e-01 1.744 -0.009 0.000
C(4) 2.180e-003 C(4) 2.180e-03
HCO3- 1.514e-003 1.023e-003 -2.820 -2.990 -0.170 HCO3- 1.514e-03 1.023e-03 -2.820 -2.990 -0.170
MgHCO3+ 2.196e-004 1.640e-004 -3.658 -3.785 -0.127 MgHCO3+ 2.196e-04 1.640e-04 -3.658 -3.785 -0.127
NaHCO3 1.668e-004 1.948e-004 -3.778 -3.710 0.067 NaHCO3 1.668e-04 1.948e-04 -3.778 -3.710 0.067
MgCO3 8.914e-005 1.041e-004 -4.050 -3.982 0.067 MgCO3 8.914e-05 1.041e-04 -4.050 -3.982 0.067
NaCO3- 6.719e-005 5.020e-005 -4.173 -4.299 -0.127 NaCO3- 6.719e-05 5.020e-05 -4.173 -4.299 -0.127
CaHCO3+ 4.598e-005 3.106e-005 -4.337 -4.508 -0.170 CaHCO3+ 4.598e-05 3.106e-05 -4.337 -4.508 -0.170
CO3-2 3.821e-005 7.960e-006 -4.418 -5.099 -0.681 CO3-2 3.821e-05 7.960e-06 -4.418 -5.099 -0.681
CaCO3 2.725e-005 3.183e-005 -4.565 -4.497 0.067 CaCO3 2.725e-05 3.183e-05 -4.565 -4.497 0.067
CO2 1.210e-005 1.413e-005 -4.917 -4.850 0.067 CO2 1.210e-05 1.413e-05 -4.917 -4.850 0.067
Ca 1.066e-002 Ca 1.066e-02
Ca+2 9.504e-003 2.380e-003 -2.022 -2.623 -0.601 Ca+2 9.504e-03 2.380e-03 -2.022 -2.623 -0.601
CaSO4 1.083e-003 1.266e-003 -2.965 -2.898 0.067 CaSO4 1.083e-03 1.266e-03 -2.965 -2.898 0.067
CaHCO3+ 4.598e-005 3.106e-005 -4.337 -4.508 -0.170 CaHCO3+ 4.598e-05 3.106e-05 -4.337 -4.508 -0.170
CaCO3 2.725e-005 3.183e-005 -4.565 -4.497 0.067 CaCO3 2.725e-05 3.183e-05 -4.565 -4.497 0.067
CaOH+ 8.604e-008 6.429e-008 -7.065 -7.192 -0.127 CaOH+ 8.604e-08 6.429e-08 -7.065 -7.192 -0.127
CaHSO4+ 5.979e-011 4.467e-011 -10.223 -10.350 -0.127 CaHSO4+ 5.979e-11 4.467e-11 -10.223 -10.350 -0.127
Cl 5.657e-001 Cl 5.657e-01
Cl- 5.657e-001 3.528e-001 -0.247 -0.452 -0.205 Cl- 5.657e-01 3.528e-01 -0.247 -0.452 -0.205
H(0) 5.515e-037 H(0) 5.515e-37
H2 2.757e-037 3.221e-037 -36.559 -36.492 0.067 H2 2.757e-37 3.221e-37 -36.559 -36.492 0.067
K 1.058e-002 K 1.058e-02
K+ 1.041e-002 6.495e-003 -1.982 -2.187 -0.205 K+ 1.041e-02 6.495e-03 -1.982 -2.187 -0.205
KSO4- 1.627e-004 1.216e-004 -3.789 -3.915 -0.127 KSO4- 1.627e-04 1.216e-04 -3.789 -3.915 -0.127
KOH 3.137e-009 3.665e-009 -8.503 -8.436 0.067 KOH 3.137e-09 3.665e-09 -8.503 -8.436 0.067
Mg 5.507e-002 Mg 5.507e-02
Mg+2 4.742e-002 1.371e-002 -1.324 -1.863 -0.539 Mg+2 4.742e-02 1.371e-02 -1.324 -1.863 -0.539
MgSO4 7.330e-003 8.562e-003 -2.135 -2.067 0.067 MgSO4 7.330e-03 8.562e-03 -2.135 -2.067 0.067
MgHCO3+ 2.196e-004 1.640e-004 -3.658 -3.785 -0.127 MgHCO3+ 2.196e-04 1.640e-04 -3.658 -3.785 -0.127
MgCO3 8.914e-005 1.041e-004 -4.050 -3.982 0.067 MgCO3 8.914e-05 1.041e-04 -4.050 -3.982 0.067
MgOH+ 1.084e-005 8.100e-006 -4.965 -5.092 -0.127 MgOH+ 1.084e-05 8.100e-06 -4.965 -5.092 -0.127
Na 4.854e-001 Na 4.854e-01
Na+ 4.791e-001 3.387e-001 -0.320 -0.470 -0.151 Na+ 4.791e-01 3.387e-01 -0.320 -0.470 -0.151
NaSO4- 6.053e-003 4.523e-003 -2.218 -2.345 -0.127 NaSO4- 6.053e-03 4.523e-03 -2.218 -2.345 -0.127
NaHCO3 1.668e-004 1.948e-004 -3.778 -3.710 0.067 NaHCO3 1.668e-04 1.948e-04 -3.778 -3.710 0.067
NaCO3- 6.719e-005 5.020e-005 -4.173 -4.299 -0.127 NaCO3- 6.719e-05 5.020e-05 -4.173 -4.299 -0.127
NaOH 3.117e-007 3.641e-007 -6.506 -6.439 0.067 NaOH 3.117e-07 3.641e-07 -6.506 -6.439 0.067
O(0) 6.614e-020 O(0) 6.614e-20
O2 3.307e-020 3.863e-020 -19.481 -19.413 0.067 O2 3.307e-20 3.863e-20 -19.481 -19.413 0.067
S(6) 2.926e-002 S(6) 2.926e-02
SO4-2 1.463e-002 2.664e-003 -1.835 -2.574 -0.740 SO4-2 1.463e-02 2.664e-03 -1.835 -2.574 -0.740
MgSO4 7.330e-003 8.562e-003 -2.135 -2.067 0.067 MgSO4 7.330e-03 8.562e-03 -2.135 -2.067 0.067
NaSO4- 6.053e-003 4.523e-003 -2.218 -2.345 -0.127 NaSO4- 6.053e-03 4.523e-03 -2.218 -2.345 -0.127
CaSO4 1.083e-003 1.266e-003 -2.965 -2.898 0.067 CaSO4 1.083e-03 1.266e-03 -2.965 -2.898 0.067
KSO4- 1.627e-004 1.216e-004 -3.789 -3.915 -0.127 KSO4- 1.627e-04 1.216e-04 -3.789 -3.915 -0.127
HSO4- 2.089e-009 1.561e-009 -8.680 -8.807 -0.127 HSO4- 2.089e-09 1.561e-09 -8.680 -8.807 -0.127
CaHSO4+ 5.979e-011 4.467e-011 -10.223 -10.350 -0.127 CaHSO4+ 5.979e-11 4.467e-11 -10.223 -10.350 -0.127
Si 7.382e-005 Si 7.382e-05
H4SiO4 7.110e-005 8.306e-005 -4.148 -4.081 0.067 H4SiO4 7.110e-05 8.306e-05 -4.148 -4.081 0.067
H3SiO4- 2.720e-006 2.032e-006 -5.565 -5.692 -0.127 H3SiO4- 2.720e-06 2.032e-06 -5.565 -5.692 -0.127
H2SiO4-2 7.362e-011 2.294e-011 -10.133 -10.639 -0.506 H2SiO4-2 7.362e-11 2.294e-11 -10.133 -10.639 -0.506
------------------------------Saturation indices------------------------------- ------------------------------Saturation indices-------------------------------
@ -348,105 +348,105 @@ Using mix 1.
Mixture 1. Mixture 1.
7.000e-001 Solution 1 Solution after simulation 1. 7.000e-01 Solution 1 Solution after simulation 1.
3.000e-001 Solution 2 Seawater 3.000e-01 Solution 2 Seawater
-----------------------------Solution composition------------------------------ -----------------------------Solution composition------------------------------
Elements Molality Moles Elements Molality Moles
C 3.189e-003 3.189e-003 C 3.189e-03 3.189e-03
Ca 4.350e-003 4.350e-003 Ca 4.350e-03 4.350e-03
Cl 1.697e-001 1.697e-001 Cl 1.697e-01 1.697e-01
K 3.173e-003 3.173e-003 K 3.173e-03 3.173e-03
Mg 1.652e-002 1.652e-002 Mg 1.652e-02 1.652e-02
Na 1.456e-001 1.456e-001 Na 1.456e-01 1.456e-01
S 8.777e-003 8.777e-003 S 8.777e-03 8.777e-03
Si 2.215e-005 2.215e-005 Si 2.215e-05 2.215e-05
----------------------------Description of solution---------------------------- ----------------------------Description of solution----------------------------
pH = 7.351 Charge balance pH = 7.351 Charge balance
pe = -1.952 Adjusted to redox equilibrium pe = -1.714 Adjusted to redox equilibrium
Specific Conductance (uS/cm, 25 oC) = 18679 Specific Conductance (uS/cm, 25 oC) = 18679
Density (g/cm3) = 1.00526 Density (g/cm3) = 1.00526
Activity of water = 0.994 Activity of water = 0.994
Ionic strength = 2.087e-001 Ionic strength = 2.087e-01
Mass of water (kg) = 1.000e+000 Mass of water (kg) = 1.000e+00
Total alkalinity (eq/kg) = 3.026e-003 Total alkalinity (eq/kg) = 3.026e-03
Total CO2 (mol/kg) = 3.189e-003 Total CO2 (mol/kg) = 3.189e-03
Temperature (deg C) = 25.00 Temperature (deg C) = 25.00
Electrical balance (eq) = 2.390e-004 Electrical balance (eq) = 2.390e-04
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.06 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.06
Iterations = 14 Iterations = 13
Total H = 1.110131e+002 Total H = 1.110131e+02
Total O = 5.554960e+001 Total O = 5.554960e+01
----------------------------Distribution of species---------------------------- ----------------------------Distribution of species----------------------------
Log Log Log Log Log Log
Species Molality Activity Molality Activity Gamma Species Molality Activity Molality Activity Gamma
OH- 3.170e-007 2.231e-007 -6.499 -6.651 -0.153 OH- 3.170e-07 2.231e-07 -6.499 -6.651 -0.153
H+ 5.603e-008 4.460e-008 -7.252 -7.351 -0.099 H+ 5.603e-08 4.460e-08 -7.252 -7.351 -0.099
H2O 5.551e+001 9.941e-001 1.744 -0.003 0.000 H2O 5.551e+01 9.941e-01 1.744 -0.003 0.000
C(-4) 3.069e-023 C(-4) 3.792e-25
CH4 3.069e-023 3.220e-023 -22.513 -22.492 0.021 CH4 3.792e-25 3.978e-25 -24.421 -24.400 0.021
C(4) 3.189e-003 C(4) 3.189e-03
HCO3- 2.662e-003 1.980e-003 -2.575 -2.703 -0.129 HCO3- 2.662e-03 1.980e-03 -2.575 -2.703 -0.129
CO2 1.904e-004 1.998e-004 -3.720 -3.699 0.021 CO2 1.904e-04 1.998e-04 -3.720 -3.699 0.021
MgHCO3+ 1.545e-004 1.151e-004 -3.811 -3.939 -0.128 MgHCO3+ 1.545e-04 1.151e-04 -3.811 -3.939 -0.128
NaHCO3 1.137e-004 1.192e-004 -3.944 -3.924 0.021 NaHCO3 1.137e-04 1.192e-04 -3.944 -3.924 0.021
CaHCO3+ 4.245e-005 3.158e-005 -4.372 -4.501 -0.129 CaHCO3+ 4.245e-05 3.158e-05 -4.372 -4.501 -0.129
MgCO3 9.408e-006 9.871e-006 -5.027 -5.006 0.021 MgCO3 9.408e-06 9.871e-06 -5.027 -5.006 0.021
CO3-2 6.803e-006 2.082e-006 -5.167 -5.682 -0.514 CO3-2 6.803e-06 2.082e-06 -5.167 -5.682 -0.514
NaCO3- 5.572e-006 4.151e-006 -5.254 -5.382 -0.128 NaCO3- 5.572e-06 4.151e-06 -5.254 -5.382 -0.128
CaCO3 4.166e-006 4.371e-006 -5.380 -5.359 0.021 CaCO3 4.166e-06 4.371e-06 -5.380 -5.359 0.021
Ca 4.350e-003 Ca 4.350e-03
Ca+2 3.928e-003 1.250e-003 -2.406 -2.903 -0.497 Ca+2 3.928e-03 1.250e-03 -2.406 -2.903 -0.497
CaSO4 3.753e-004 3.938e-004 -3.426 -3.405 0.021 CaSO4 3.753e-04 3.938e-04 -3.426 -3.405 0.021
CaHCO3+ 4.245e-005 3.158e-005 -4.372 -4.501 -0.129 CaHCO3+ 4.245e-05 3.158e-05 -4.372 -4.501 -0.129
CaCO3 4.166e-006 4.371e-006 -5.380 -5.359 0.021 CaCO3 4.166e-06 4.371e-06 -5.380 -5.359 0.021
CaOH+ 6.204e-009 4.622e-009 -8.207 -8.335 -0.128 CaOH+ 6.204e-09 4.622e-09 -8.207 -8.335 -0.128
CaHSO4+ 1.381e-010 1.029e-010 -9.860 -9.988 -0.128 CaHSO4+ 1.381e-10 1.029e-10 -9.860 -9.988 -0.128
Cl 1.697e-001 Cl 1.697e-01
Cl- 1.697e-001 1.203e-001 -0.770 -0.920 -0.149 Cl- 1.697e-01 1.203e-01 -0.770 -0.920 -0.149
H(0) 2.153e-014 H(0) 7.179e-15
H2 1.077e-014 1.130e-014 -13.968 -13.947 0.021 H2 3.590e-15 3.766e-15 -14.445 -14.424 0.021
K 3.173e-003 K 3.173e-03
K+ 3.140e-003 2.226e-003 -2.503 -2.652 -0.149 K+ 3.140e-03 2.226e-03 -2.503 -2.652 -0.149
KSO4- 3.316e-005 2.470e-005 -4.479 -4.607 -0.128 KSO4- 3.316e-05 2.470e-05 -4.479 -4.607 -0.128
KOH 1.639e-010 1.720e-010 -9.785 -9.764 0.021 KOH 1.639e-10 1.720e-10 -9.785 -9.764 0.021
Mg 1.652e-002 Mg 1.652e-02
Mg+2 1.460e-002 4.968e-003 -1.836 -2.304 -0.468 Mg+2 1.460e-02 4.968e-03 -1.836 -2.304 -0.468
MgSO4 1.753e-003 1.839e-003 -2.756 -2.735 0.021 MgSO4 1.753e-03 1.839e-03 -2.756 -2.735 0.021
MgHCO3+ 1.545e-004 1.151e-004 -3.811 -3.939 -0.128 MgHCO3+ 1.545e-04 1.151e-04 -3.811 -3.939 -0.128
MgCO3 9.408e-006 9.871e-006 -5.027 -5.006 0.021 MgCO3 9.408e-06 9.871e-06 -5.027 -5.006 0.021
MgOH+ 5.396e-007 4.020e-007 -6.268 -6.396 -0.128 MgOH+ 5.396e-07 4.020e-07 -6.268 -6.396 -0.128
Na 1.456e-001 Na 1.456e-01
Na+ 1.444e-001 1.071e-001 -0.841 -0.970 -0.130 Na+ 1.444e-01 1.071e-01 -0.841 -0.970 -0.130
NaSO4- 1.138e-003 8.476e-004 -2.944 -3.072 -0.128 NaSO4- 1.138e-03 8.476e-04 -2.944 -3.072 -0.128
NaHCO3 1.137e-004 1.192e-004 -3.944 -3.924 0.021 NaHCO3 1.137e-04 1.192e-04 -3.944 -3.924 0.021
NaCO3- 5.572e-006 4.151e-006 -5.254 -5.382 -0.128 NaCO3- 5.572e-06 4.151e-06 -5.254 -5.382 -0.128
NaOH 1.503e-008 1.577e-008 -7.823 -7.802 0.021 NaOH 1.503e-08 1.577e-08 -7.823 -7.802 0.021
O(0) 0.000e+000 O(0) 0.000e+00
O2 0.000e+000 0.000e+000 -64.512 -64.491 0.021 O2 0.000e+00 0.000e+00 -63.558 -63.537 0.021
S(-2) 3.746e-020 S(-2) 4.628e-22
HS- 2.969e-020 2.090e-020 -19.527 -19.680 -0.153 HS- 3.668e-22 2.581e-22 -21.436 -21.588 -0.153
H2S 7.767e-021 8.149e-021 -20.110 -20.089 0.021 H2S 9.595e-23 1.007e-22 -22.018 -21.997 0.021
S-2 1.925e-025 5.658e-026 -24.716 -25.247 -0.532 S-2 2.378e-27 6.990e-28 -26.624 -27.156 -0.532
S(6) 8.777e-003 S(6) 8.777e-03
SO4-2 5.478e-003 1.579e-003 -2.261 -2.802 -0.540 SO4-2 5.478e-03 1.579e-03 -2.261 -2.802 -0.540
MgSO4 1.753e-003 1.839e-003 -2.756 -2.735 0.021 MgSO4 1.753e-03 1.839e-03 -2.756 -2.735 0.021
NaSO4- 1.138e-003 8.476e-004 -2.944 -3.072 -0.128 NaSO4- 1.138e-03 8.476e-04 -2.944 -3.072 -0.128
CaSO4 3.753e-004 3.938e-004 -3.426 -3.405 0.021 CaSO4 3.753e-04 3.938e-04 -3.426 -3.405 0.021
KSO4- 3.316e-005 2.470e-005 -4.479 -4.607 -0.128 KSO4- 3.316e-05 2.470e-05 -4.479 -4.607 -0.128
HSO4- 9.193e-009 6.849e-009 -8.037 -8.164 -0.128 HSO4- 9.193e-09 6.849e-09 -8.037 -8.164 -0.128
CaHSO4+ 1.381e-010 1.029e-010 -9.860 -9.988 -0.128 CaHSO4+ 1.381e-10 1.029e-10 -9.860 -9.988 -0.128
Si 2.215e-005 Si 2.215e-05
H4SiO4 2.204e-005 2.313e-005 -4.657 -4.636 0.021 H4SiO4 2.204e-05 2.313e-05 -4.657 -4.636 0.021
H3SiO4- 1.026e-007 7.646e-008 -6.989 -7.117 -0.128 H3SiO4- 1.026e-07 7.646e-08 -6.989 -7.117 -0.128
H2SiO4-2 3.784e-013 1.166e-013 -12.422 -12.933 -0.511 H2SiO4-2 3.784e-13 1.166e-13 -12.422 -12.933 -0.511
------------------------------Saturation indices------------------------------- ------------------------------Saturation indices-------------------------------
@ -455,22 +455,22 @@ Si 2.215e-005
Anhydrite -1.34 -5.70 -4.36 CaSO4 Anhydrite -1.34 -5.70 -4.36 CaSO4
Aragonite -0.25 -8.58 -8.34 CaCO3 Aragonite -0.25 -8.58 -8.34 CaCO3
Calcite -0.10 -8.58 -8.48 CaCO3 Calcite -0.10 -8.58 -8.48 CaCO3
CH4(g) -19.63 -22.49 -2.86 CH4 CH4(g) -21.54 -24.40 -2.86 CH4
Chalcedony -1.08 -4.63 -3.55 SiO2 Chalcedony -1.08 -4.63 -3.55 SiO2
Chrysotile -4.28 27.92 32.20 Mg3Si2O5(OH)4 Chrysotile -4.28 27.92 32.20 Mg3Si2O5(OH)4
CO2(g) -2.23 -3.70 -1.47 CO2 CO2(g) -2.23 -3.70 -1.47 CO2
Dolomite 0.52 -16.57 -17.09 CaMg(CO3)2 Dolomite 0.52 -16.57 -17.09 CaMg(CO3)2
Gypsum -1.13 -5.71 -4.58 CaSO4:2H2O Gypsum -1.13 -5.71 -4.58 CaSO4:2H2O
H2(g) -10.80 -13.95 -3.15 H2 H2(g) -11.27 -14.42 -3.15 H2
H2O(g) -1.51 -0.00 1.51 H2O H2O(g) -1.51 -0.00 1.51 H2O
H2S(g) -19.09 -20.09 -1.00 H2S H2S(g) -21.00 -22.00 -1.00 H2S
Halite -3.47 -1.89 1.58 NaCl Halite -3.47 -1.89 1.58 NaCl
O2(g) -61.60 -64.49 -2.89 O2 O2(g) -60.64 -63.54 -2.89 O2
Quartz -0.65 -4.63 -3.98 SiO2 Quartz -0.65 -4.63 -3.98 SiO2
Sepiolite -4.87 10.89 15.76 Mg2Si3O7.5OH:3H2O Sepiolite -4.87 10.89 15.76 Mg2Si3O7.5OH:3H2O
Sepiolite(d) -7.77 10.89 18.66 Mg2Si3O7.5OH:3H2O Sepiolite(d) -7.77 10.89 18.66 Mg2Si3O7.5OH:3H2O
SiO2(a) -1.92 -4.63 -2.71 SiO2 SiO2(a) -1.92 -4.63 -2.71 SiO2
Sulfur -14.17 -9.29 4.88 S Sulfur -15.61 -10.72 4.88 S
Talc -2.74 18.66 21.40 Mg3Si4O10(OH)2 Talc -2.74 18.66 21.40 Mg3Si4O10(OH)2
@ -508,105 +508,105 @@ Using pure phase assemblage 1.
Moles in assemblage Moles in assemblage
Phase SI log IAP log K(T, P) Initial Final Delta Phase SI log IAP log K(T, P) Initial Final Delta
Calcite 0.00 -8.48 -8.48 1.000e+001 9.984e+000 -1.571e-002 Calcite 0.00 -8.48 -8.48 1.000e+01 9.984e+00 -1.571e-02
Dolomite 0.00 -17.09 -17.09 1.000e+001 1.001e+001 7.935e-003 Dolomite 0.00 -17.09 -17.09 1.000e+01 1.001e+01 7.935e-03
-----------------------------Solution composition------------------------------ -----------------------------Solution composition------------------------------
Elements Molality Moles Elements Molality Moles
C 3.029e-003 3.029e-003 C 3.029e-03 3.029e-03
Ca 1.213e-002 1.212e-002 Ca 1.213e-02 1.212e-02
Cl 1.697e-001 1.697e-001 Cl 1.697e-01 1.697e-01
K 3.173e-003 3.173e-003 K 3.173e-03 3.173e-03
Mg 8.585e-003 8.585e-003 Mg 8.585e-03 8.585e-03
Na 1.456e-001 1.456e-001 Na 1.456e-01 1.456e-01
S 8.777e-003 8.777e-003 S 8.777e-03 8.777e-03
Si 2.215e-005 2.215e-005 Si 2.215e-05 2.215e-05
----------------------------Description of solution---------------------------- ----------------------------Description of solution----------------------------
pH = 7.056 Charge balance pH = 7.056 Charge balance
pe = -1.546 Adjusted to redox equilibrium pe = -1.420 Adjusted to redox equilibrium
Specific Conductance (uS/cm, 25 oC) = 18723 Specific Conductance (uS/cm, 25 oC) = 18723
Density (g/cm3) = 1.00534 Density (g/cm3) = 1.00534
Activity of water = 0.994 Activity of water = 0.994
Ionic strength = 2.087e-001 Ionic strength = 2.087e-01
Mass of water (kg) = 1.000e+000 Mass of water (kg) = 1.000e+00
Total alkalinity (eq/kg) = 2.704e-003 Total alkalinity (eq/kg) = 2.704e-03
Total CO2 (mol/kg) = 3.029e-003 Total CO2 (mol/kg) = 3.029e-03
Temperature (deg C) = 25.00 Temperature (deg C) = 25.00
Electrical balance (eq) = 2.390e-004 Electrical balance (eq) = 2.390e-04
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.06 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.06
Iterations = 5 Iterations = 5
Total H = 1.110131e+002 Total H = 1.110131e+02
Total O = 5.554912e+001 Total O = 5.554912e+01
----------------------------Distribution of species---------------------------- ----------------------------Distribution of species----------------------------
Log Log Log Log Log Log
Species Molality Activity Molality Activity Gamma Species Molality Activity Molality Activity Gamma
OH- 1.609e-007 1.132e-007 -6.793 -6.946 -0.153 OH- 1.609e-07 1.132e-07 -6.793 -6.946 -0.153
H+ 1.104e-007 8.788e-008 -6.957 -7.056 -0.099 H+ 1.104e-07 8.788e-08 -6.957 -7.056 -0.099
H2O 5.551e+001 9.941e-001 1.744 -0.003 0.000 H2O 5.551e+01 9.941e-01 1.744 -0.003 0.000
C(-4) 6.919e-024 C(-4) 6.810e-25
CH4 6.919e-024 7.260e-024 -23.160 -23.139 0.021 CH4 6.810e-25 7.146e-25 -24.167 -24.146 0.021
C(4) 3.029e-003 C(4) 3.029e-03
HCO3- 2.397e-003 1.783e-003 -2.620 -2.749 -0.129 HCO3- 2.397e-03 1.783e-03 -2.620 -2.749 -0.129
CO2 3.377e-004 3.543e-004 -3.471 -3.451 0.021 CO2 3.377e-04 3.543e-04 -3.471 -3.451 0.021
CaHCO3+ 1.065e-004 7.920e-005 -3.973 -4.101 -0.129 CaHCO3+ 1.065e-04 7.920e-05 -3.973 -4.101 -0.129
NaHCO3 1.023e-004 1.073e-004 -3.990 -3.969 0.021 NaHCO3 1.023e-04 1.073e-04 -3.990 -3.969 0.021
MgHCO3+ 7.221e-005 5.380e-005 -4.141 -4.269 -0.128 MgHCO3+ 7.221e-05 5.380e-05 -4.141 -4.269 -0.128
CaCO3 5.304e-006 5.565e-006 -5.275 -5.255 0.021 CaCO3 5.304e-06 5.565e-06 -5.275 -5.255 0.021
CO3-2 3.109e-006 9.513e-007 -5.507 -6.022 -0.514 CO3-2 3.109e-06 9.513e-07 -5.507 -6.022 -0.514
NaCO3- 2.546e-006 1.897e-006 -5.594 -5.722 -0.128 NaCO3- 2.546e-06 1.897e-06 -5.594 -5.722 -0.128
MgCO3 2.232e-006 2.341e-006 -5.651 -5.631 0.021 MgCO3 2.232e-06 2.341e-06 -5.651 -5.631 0.021
Ca 1.213e-002 Ca 1.213e-02
Ca+2 1.095e-002 3.482e-003 -1.961 -2.458 -0.497 Ca+2 1.095e-02 3.482e-03 -1.961 -2.458 -0.497
CaSO4 1.067e-003 1.119e-003 -2.972 -2.951 0.021 CaSO4 1.067e-03 1.119e-03 -2.972 -2.951 0.021
CaHCO3+ 1.065e-004 7.920e-005 -3.973 -4.101 -0.129 CaHCO3+ 1.065e-04 7.920e-05 -3.973 -4.101 -0.129
CaCO3 5.304e-006 5.565e-006 -5.275 -5.255 0.021 CaCO3 5.304e-06 5.565e-06 -5.275 -5.255 0.021
CaOH+ 8.774e-009 6.537e-009 -8.057 -8.185 -0.128 CaOH+ 8.774e-09 6.537e-09 -8.057 -8.185 -0.128
CaHSO4+ 7.734e-010 5.762e-010 -9.112 -9.239 -0.128 CaHSO4+ 7.734e-10 5.762e-10 -9.112 -9.239 -0.128
Cl 1.697e-001 Cl 1.697e-01
Cl- 1.697e-001 1.203e-001 -0.770 -0.920 -0.149 Cl- 1.697e-01 1.203e-01 -0.770 -0.920 -0.149
H(0) 1.286e-014 H(0) 7.202e-15
H2 6.429e-015 6.746e-015 -14.192 -14.171 0.021 H2 3.601e-15 3.778e-15 -14.444 -14.423 0.021
K 3.173e-003 K 3.173e-03
K+ 3.140e-003 2.225e-003 -2.503 -2.653 -0.149 K+ 3.140e-03 2.225e-03 -2.503 -2.653 -0.149
KSO4- 3.381e-005 2.519e-005 -4.471 -4.599 -0.128 KSO4- 3.381e-05 2.519e-05 -4.471 -4.599 -0.128
KOH 8.319e-011 8.729e-011 -10.080 -10.059 0.021 KOH 8.319e-11 8.729e-11 -10.080 -10.059 0.021
Mg 8.585e-003 Mg 8.585e-03
Mg+2 7.582e-003 2.579e-003 -2.120 -2.588 -0.468 Mg+2 7.582e-03 2.579e-03 -2.120 -2.588 -0.468
MgSO4 9.283e-004 9.740e-004 -3.032 -3.011 0.021 MgSO4 9.283e-04 9.740e-04 -3.032 -3.011 0.021
MgHCO3+ 7.221e-005 5.380e-005 -4.141 -4.269 -0.128 MgHCO3+ 7.221e-05 5.380e-05 -4.141 -4.269 -0.128
MgCO3 2.232e-006 2.341e-006 -5.651 -5.631 0.021 MgCO3 2.232e-06 2.341e-06 -5.651 -5.631 0.021
MgOH+ 1.422e-007 1.059e-007 -6.847 -6.975 -0.128 MgOH+ 1.422e-07 1.059e-07 -6.847 -6.975 -0.128
Na 1.456e-001 Na 1.456e-01
Na+ 1.444e-001 1.071e-001 -0.841 -0.970 -0.130 Na+ 1.444e-01 1.071e-01 -0.841 -0.970 -0.130
NaSO4- 1.160e-003 8.644e-004 -2.935 -3.063 -0.128 NaSO4- 1.160e-03 8.644e-04 -2.935 -3.063 -0.128
NaHCO3 1.023e-004 1.073e-004 -3.990 -3.969 0.021 NaHCO3 1.023e-04 1.073e-04 -3.990 -3.969 0.021
NaCO3- 2.546e-006 1.897e-006 -5.594 -5.722 -0.128 NaCO3- 2.546e-06 1.897e-06 -5.594 -5.722 -0.128
NaOH 7.627e-009 8.002e-009 -8.118 -8.097 0.021 NaOH 7.627e-09 8.002e-09 -8.118 -8.097 0.021
O(0) 0.000e+000 O(0) 0.000e+00
O2 0.000e+000 0.000e+000 -64.064 -64.043 0.021 O2 0.000e+00 0.000e+00 -63.561 -63.540 0.021
S(-2) 1.149e-020 S(-2) 1.131e-21
HS- 7.584e-021 5.337e-021 -20.120 -20.273 -0.153 HS- 7.465e-22 5.254e-22 -21.127 -21.280 -0.153
H2S 3.909e-021 4.101e-021 -20.408 -20.387 0.021 H2S 3.847e-22 4.037e-22 -21.415 -21.394 0.021
S-2 2.496e-026 7.336e-027 -25.603 -26.135 -0.532 S-2 2.457e-27 7.221e-28 -26.610 -27.141 -0.532
S(6) 8.777e-003 S(6) 8.777e-03
SO4-2 5.588e-003 1.611e-003 -2.253 -2.793 -0.540 SO4-2 5.588e-03 1.611e-03 -2.253 -2.793 -0.540
NaSO4- 1.160e-003 8.644e-004 -2.935 -3.063 -0.128 NaSO4- 1.160e-03 8.644e-04 -2.935 -3.063 -0.128
CaSO4 1.067e-003 1.119e-003 -2.972 -2.951 0.021 CaSO4 1.067e-03 1.119e-03 -2.972 -2.951 0.021
MgSO4 9.283e-004 9.740e-004 -3.032 -3.011 0.021 MgSO4 9.283e-04 9.740e-04 -3.032 -3.011 0.021
KSO4- 3.381e-005 2.519e-005 -4.471 -4.599 -0.128 KSO4- 3.381e-05 2.519e-05 -4.471 -4.599 -0.128
HSO4- 1.847e-008 1.376e-008 -7.733 -7.861 -0.128 HSO4- 1.847e-08 1.376e-08 -7.733 -7.861 -0.128
CaHSO4+ 7.734e-010 5.762e-010 -9.112 -9.239 -0.128 CaHSO4+ 7.734e-10 5.762e-10 -9.112 -9.239 -0.128
Si 2.215e-005 Si 2.215e-05
H4SiO4 2.210e-005 2.318e-005 -4.656 -4.635 0.021 H4SiO4 2.210e-05 2.318e-05 -4.656 -4.635 0.021
H3SiO4- 5.221e-008 3.890e-008 -7.282 -7.410 -0.128 H3SiO4- 5.221e-08 3.890e-08 -7.282 -7.410 -0.128
H2SiO4-2 9.772e-014 3.011e-014 -13.010 -13.521 -0.511 H2SiO4-2 9.772e-14 3.011e-14 -13.010 -13.521 -0.511
------------------------------Saturation indices------------------------------- ------------------------------Saturation indices-------------------------------
@ -615,22 +615,22 @@ Si 2.215e-005
Anhydrite -0.89 -5.25 -4.36 CaSO4 Anhydrite -0.89 -5.25 -4.36 CaSO4
Aragonite -0.14 -8.48 -8.34 CaCO3 Aragonite -0.14 -8.48 -8.34 CaCO3
Calcite 0.00 -8.48 -8.48 CaCO3 Calcite 0.00 -8.48 -8.48 CaCO3
CH4(g) -20.28 -23.14 -2.86 CH4 CH4(g) -21.29 -24.15 -2.86 CH4
Chalcedony -1.08 -4.63 -3.55 SiO2 Chalcedony -1.08 -4.63 -3.55 SiO2
Chrysotile -6.90 25.30 32.20 Mg3Si2O5(OH)4 Chrysotile -6.90 25.30 32.20 Mg3Si2O5(OH)4
CO2(g) -1.98 -3.45 -1.47 CO2 CO2(g) -1.98 -3.45 -1.47 CO2
Dolomite 0.00 -17.09 -17.09 CaMg(CO3)2 Dolomite 0.00 -17.09 -17.09 CaMg(CO3)2
Gypsum -0.68 -5.26 -4.58 CaSO4:2H2O Gypsum -0.68 -5.26 -4.58 CaSO4:2H2O
H2(g) -11.02 -14.17 -3.15 H2 H2(g) -11.27 -14.42 -3.15 H2
H2O(g) -1.51 -0.00 1.51 H2O H2O(g) -1.51 -0.00 1.51 H2O
H2S(g) -19.39 -20.39 -1.00 H2S H2S(g) -20.40 -21.39 -1.00 H2S
Halite -3.47 -1.89 1.58 NaCl Halite -3.47 -1.89 1.58 NaCl
O2(g) -61.15 -64.04 -2.89 O2 O2(g) -60.65 -63.54 -2.89 O2
Quartz -0.65 -4.63 -3.98 SiO2 Quartz -0.65 -4.63 -3.98 SiO2
Sepiolite -6.62 9.14 15.76 Mg2Si3O7.5OH:3H2O Sepiolite -6.62 9.14 15.76 Mg2Si3O7.5OH:3H2O
Sepiolite(d) -9.52 9.14 18.66 Mg2Si3O7.5OH:3H2O Sepiolite(d) -9.52 9.14 18.66 Mg2Si3O7.5OH:3H2O
SiO2(a) -1.92 -4.63 -2.71 SiO2 SiO2(a) -1.92 -4.63 -2.71 SiO2
Sulfur -14.25 -9.37 4.88 S Sulfur -15.00 -10.12 4.88 S
Talc -5.36 16.04 21.40 Mg3Si4O10(OH)2 Talc -5.36 16.04 21.40 Mg3Si4O10(OH)2
@ -667,104 +667,104 @@ Using pure phase assemblage 2.
Moles in assemblage Moles in assemblage
Phase SI log IAP log K(T, P) Initial Final Delta Phase SI log IAP log K(T, P) Initial Final Delta
Calcite 0.00 -8.48 -8.48 1.000e+001 1.000e+001 -3.992e-005 Calcite -0.00 -8.48 -8.48 1.000e+01 1.000e+01 -3.992e-05
-----------------------------Solution composition------------------------------ -----------------------------Solution composition------------------------------
Elements Molality Moles Elements Molality Moles
C 3.229e-003 3.229e-003 C 3.229e-03 3.229e-03
Ca 4.390e-003 4.390e-003 Ca 4.390e-03 4.390e-03
Cl 1.697e-001 1.697e-001 Cl 1.697e-01 1.697e-01
K 3.173e-003 3.173e-003 K 3.173e-03 3.173e-03
Mg 1.652e-002 1.652e-002 Mg 1.652e-02 1.652e-02
Na 1.456e-001 1.456e-001 Na 1.456e-01 1.456e-01
S 8.777e-003 8.777e-003 S 8.777e-03 8.777e-03
Si 2.215e-005 2.215e-005 Si 2.215e-05 2.215e-05
----------------------------Description of solution---------------------------- ----------------------------Description of solution----------------------------
pH = 7.442 Charge balance pH = 7.442 Charge balance
pe = -1.931 Adjusted to redox equilibrium pe = -1.806 Adjusted to redox equilibrium
Specific Conductance (uS/cm, 25 oC) = 18683 Specific Conductance (uS/cm, 25 oC) = 18683
Density (g/cm3) = 1.00527 Density (g/cm3) = 1.00527
Activity of water = 0.994 Activity of water = 0.994
Ionic strength = 2.088e-001 Ionic strength = 2.088e-01
Mass of water (kg) = 1.000e+000 Mass of water (kg) = 1.000e+00
Total alkalinity (eq/kg) = 3.106e-003 Total alkalinity (eq/kg) = 3.106e-03
Total CO2 (mol/kg) = 3.229e-003 Total CO2 (mol/kg) = 3.229e-03
Temperature (deg C) = 25.00 Temperature (deg C) = 25.00
Electrical balance (eq) = 2.390e-004 Electrical balance (eq) = 2.390e-04
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.06 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.06
Iterations = 3 Iterations = 3
Total H = 1.110131e+002 Total H = 1.110131e+02
Total O = 5.554972e+001 Total O = 5.554972e+01
----------------------------Distribution of species---------------------------- ----------------------------Distribution of species----------------------------
Log Log Log Log Log Log
Species Molality Activity Molality Activity Gamma Species Molality Activity Molality Activity Gamma
OH- 3.915e-007 2.755e-007 -6.407 -6.560 -0.153 OH- 3.915e-07 2.755e-07 -6.407 -6.560 -0.153
H+ 4.537e-008 3.612e-008 -7.343 -7.442 -0.099 H+ 4.537e-08 3.612e-08 -7.343 -7.442 -0.099
H2O 5.551e+001 9.941e-001 1.744 -0.003 0.000 H2O 5.551e+01 9.941e-01 1.744 -0.003 0.000
C(-4) 3.195e-024 C(-4) 3.167e-25
CH4 3.195e-024 3.353e-024 -23.495 -23.475 0.021 CH4 3.167e-25 3.323e-25 -24.499 -24.479 0.021
C(4) 3.229e-003 C(4) 3.229e-03
HCO3- 2.721e-003 2.024e-003 -2.565 -2.694 -0.129 HCO3- 2.721e-03 2.024e-03 -2.565 -2.694 -0.129
MgHCO3+ 1.579e-004 1.176e-004 -3.802 -3.930 -0.128 MgHCO3+ 1.579e-04 1.176e-04 -3.802 -3.930 -0.128
CO2 1.576e-004 1.653e-004 -3.803 -3.782 0.021 CO2 1.576e-04 1.653e-04 -3.803 -3.782 0.021
NaHCO3 1.161e-004 1.219e-004 -3.935 -3.914 0.021 NaHCO3 1.161e-04 1.219e-04 -3.935 -3.914 0.021
CaHCO3+ 4.376e-005 3.255e-005 -4.359 -4.487 -0.129 CaHCO3+ 4.376e-05 3.255e-05 -4.359 -4.487 -0.129
MgCO3 1.187e-005 1.245e-005 -4.926 -4.905 0.021 MgCO3 1.187e-05 1.245e-05 -4.926 -4.905 0.021
CO3-2 8.587e-006 2.628e-006 -5.066 -5.580 -0.514 CO3-2 8.587e-06 2.628e-06 -5.066 -5.580 -0.514
NaCO3- 7.033e-006 5.240e-006 -5.153 -5.281 -0.128 NaCO3- 7.033e-06 5.240e-06 -5.153 -5.281 -0.128
CaCO3 5.304e-006 5.565e-006 -5.275 -5.255 0.021 CaCO3 5.304e-06 5.565e-06 -5.275 -5.255 0.021
Ca 4.390e-003 Ca 4.390e-03
Ca+2 3.963e-003 1.261e-003 -2.402 -2.899 -0.497 Ca+2 3.963e-03 1.261e-03 -2.402 -2.899 -0.497
CaSO4 3.784e-004 3.971e-004 -3.422 -3.401 0.021 CaSO4 3.784e-04 3.971e-04 -3.422 -3.401 0.021
CaHCO3+ 4.376e-005 3.255e-005 -4.359 -4.487 -0.129 CaHCO3+ 4.376e-05 3.255e-05 -4.359 -4.487 -0.129
CaCO3 5.304e-006 5.565e-006 -5.275 -5.255 0.021 CaCO3 5.304e-06 5.565e-06 -5.275 -5.255 0.021
CaOH+ 7.728e-009 5.758e-009 -8.112 -8.240 -0.128 CaOH+ 7.728e-09 5.758e-09 -8.112 -8.240 -0.128
CaHSO4+ 1.128e-010 8.402e-011 -9.948 -10.076 -0.128 CaHSO4+ 1.128e-10 8.402e-11 -9.948 -10.076 -0.128
Cl 1.697e-001 Cl 1.697e-01
Cl- 1.697e-001 1.203e-001 -0.770 -0.920 -0.149 Cl- 1.697e-01 1.203e-01 -0.770 -0.920 -0.149
H(0) 1.282e-014 H(0) 7.196e-15
H2 6.412e-015 6.728e-015 -14.193 -14.172 0.021 H2 3.598e-15 3.775e-15 -14.444 -14.423 0.021
K 3.173e-003 K 3.173e-03
K+ 3.140e-003 2.226e-003 -2.503 -2.652 -0.149 K+ 3.140e-03 2.226e-03 -2.503 -2.652 -0.149
KSO4- 3.314e-005 2.469e-005 -4.480 -4.607 -0.128 KSO4- 3.314e-05 2.469e-05 -4.480 -4.607 -0.128
KOH 2.025e-010 2.124e-010 -9.694 -9.673 0.021 KOH 2.025e-10 2.124e-10 -9.694 -9.673 0.021
Mg 1.652e-002 Mg 1.652e-02
Mg+2 1.460e-002 4.966e-003 -1.836 -2.304 -0.468 Mg+2 1.460e-02 4.966e-03 -1.836 -2.304 -0.468
MgSO4 1.752e-003 1.838e-003 -2.757 -2.736 0.021 MgSO4 1.752e-03 1.838e-03 -2.757 -2.736 0.021
MgHCO3+ 1.579e-004 1.176e-004 -3.802 -3.930 -0.128 MgHCO3+ 1.579e-04 1.176e-04 -3.802 -3.930 -0.128
MgCO3 1.187e-005 1.245e-005 -4.926 -4.905 0.021 MgCO3 1.187e-05 1.245e-05 -4.926 -4.905 0.021
MgOH+ 6.661e-007 4.963e-007 -6.176 -6.304 -0.128 MgOH+ 6.661e-07 4.963e-07 -6.176 -6.304 -0.128
Na 1.456e-001 Na 1.456e-01
Na+ 1.444e-001 1.071e-001 -0.841 -0.970 -0.130 Na+ 1.444e-01 1.071e-01 -0.841 -0.970 -0.130
NaSO4- 1.137e-003 8.472e-004 -2.944 -3.072 -0.128 NaSO4- 1.137e-03 8.472e-04 -2.944 -3.072 -0.128
NaHCO3 1.161e-004 1.219e-004 -3.935 -3.914 0.021 NaHCO3 1.161e-04 1.219e-04 -3.935 -3.914 0.021
NaCO3- 7.033e-006 5.240e-006 -5.153 -5.281 -0.128 NaCO3- 7.033e-06 5.240e-06 -5.153 -5.281 -0.128
NaOH 1.856e-008 1.947e-008 -7.731 -7.711 0.021 NaOH 1.856e-08 1.947e-08 -7.731 -7.711 0.021
O(0) 0.000e+000 O(0) 0.000e+00
O2 0.000e+000 0.000e+000 -64.062 -64.041 0.021 O2 0.000e+00 0.000e+00 -63.560 -63.539 0.021
S(-2) 3.664e-021 S(-2) 3.631e-22
HS- 3.024e-021 2.128e-021 -20.519 -20.672 -0.153 HS- 2.996e-22 2.109e-22 -21.523 -21.676 -0.153
H2S 6.404e-022 6.720e-022 -21.194 -21.173 0.021 H2S 6.347e-23 6.659e-23 -22.197 -22.177 0.021
S-2 2.422e-026 7.116e-027 -25.616 -26.148 -0.532 S-2 2.400e-27 7.052e-28 -26.620 -27.152 -0.532
S(6) 8.777e-003 S(6) 8.777e-03
SO4-2 5.477e-003 1.579e-003 -2.261 -2.802 -0.540 SO4-2 5.477e-03 1.579e-03 -2.261 -2.802 -0.540
MgSO4 1.752e-003 1.838e-003 -2.757 -2.736 0.021 MgSO4 1.752e-03 1.838e-03 -2.757 -2.736 0.021
NaSO4- 1.137e-003 8.472e-004 -2.944 -3.072 -0.128 NaSO4- 1.137e-03 8.472e-04 -2.944 -3.072 -0.128
CaSO4 3.784e-004 3.971e-004 -3.422 -3.401 0.021 CaSO4 3.784e-04 3.971e-04 -3.422 -3.401 0.021
KSO4- 3.314e-005 2.469e-005 -4.480 -4.607 -0.128 KSO4- 3.314e-05 2.469e-05 -4.480 -4.607 -0.128
HSO4- 7.441e-009 5.544e-009 -8.128 -8.256 -0.128 HSO4- 7.441e-09 5.544e-09 -8.128 -8.256 -0.128
CaHSO4+ 1.128e-010 8.402e-011 -9.948 -10.076 -0.128 CaHSO4+ 1.128e-10 8.402e-11 -9.948 -10.076 -0.128
Si 2.215e-005 Si 2.215e-05
H4SiO4 2.202e-005 2.311e-005 -4.657 -4.636 0.021 H4SiO4 2.202e-05 2.311e-05 -4.657 -4.636 0.021
H3SiO4- 1.266e-007 9.432e-008 -6.898 -7.025 -0.128 H3SiO4- 1.266e-07 9.432e-08 -6.898 -7.025 -0.128
H2SiO4-2 5.766e-013 1.776e-013 -12.239 -12.750 -0.511 H2SiO4-2 5.766e-13 1.776e-13 -12.239 -12.750 -0.511
------------------------------Saturation indices------------------------------- ------------------------------Saturation indices-------------------------------
@ -772,23 +772,23 @@ Si 2.215e-005
Anhydrite -1.34 -5.70 -4.36 CaSO4 Anhydrite -1.34 -5.70 -4.36 CaSO4
Aragonite -0.14 -8.48 -8.34 CaCO3 Aragonite -0.14 -8.48 -8.34 CaCO3
Calcite 0.00 -8.48 -8.48 CaCO3 Calcite -0.00 -8.48 -8.48 CaCO3
CH4(g) -20.61 -23.47 -2.86 CH4 CH4(g) -21.62 -24.48 -2.86 CH4
Chalcedony -1.08 -4.63 -3.55 SiO2 Chalcedony -1.08 -4.63 -3.55 SiO2
Chrysotile -3.73 28.47 32.20 Mg3Si2O5(OH)4 Chrysotile -3.73 28.47 32.20 Mg3Si2O5(OH)4
CO2(g) -2.31 -3.78 -1.47 CO2 CO2(g) -2.31 -3.78 -1.47 CO2
Dolomite 0.73 -16.36 -17.09 CaMg(CO3)2 Dolomite 0.73 -16.36 -17.09 CaMg(CO3)2
Gypsum -1.13 -5.71 -4.58 CaSO4:2H2O Gypsum -1.13 -5.71 -4.58 CaSO4:2H2O
H2(g) -11.02 -14.17 -3.15 H2 H2(g) -11.27 -14.42 -3.15 H2
H2O(g) -1.51 -0.00 1.51 H2O H2O(g) -1.51 -0.00 1.51 H2O
H2S(g) -20.18 -21.17 -1.00 H2S H2S(g) -21.18 -22.18 -1.00 H2S
Halite -3.47 -1.89 1.58 NaCl Halite -3.47 -1.89 1.58 NaCl
O2(g) -61.15 -64.04 -2.89 O2 O2(g) -60.65 -63.54 -2.89 O2
Quartz -0.65 -4.63 -3.98 SiO2 Quartz -0.65 -4.63 -3.98 SiO2
Sepiolite -4.51 11.25 15.76 Mg2Si3O7.5OH:3H2O Sepiolite -4.51 11.25 15.76 Mg2Si3O7.5OH:3H2O
Sepiolite(d) -7.41 11.25 18.66 Mg2Si3O7.5OH:3H2O Sepiolite(d) -7.41 11.25 18.66 Mg2Si3O7.5OH:3H2O
SiO2(a) -1.92 -4.63 -2.71 SiO2 SiO2(a) -1.92 -4.63 -2.71 SiO2
Sulfur -15.03 -10.15 4.88 S Sulfur -15.79 -10.90 4.88 S
Talc -2.19 19.21 21.40 Mg3Si4O10(OH)2 Talc -2.19 19.21 21.40 Mg3Si4O10(OH)2

478
ex4.out
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@ -54,15 +54,15 @@ Initial solution 1. Precipitation from Central Oklahoma
Elements Molality Moles Elements Molality Moles
C(4) 1.092e-005 1.092e-005 Equilibrium with CO2(g) C(4) 1.092e-05 1.092e-05 Equilibrium with CO2(g)
Ca 9.581e-006 9.581e-006 Ca 9.581e-06 9.581e-06
Cl 6.657e-006 6.657e-006 Cl 6.657e-06 6.657e-06
K 9.207e-007 9.207e-007 K 9.207e-07 9.207e-07
Mg 1.769e-006 1.769e-006 Mg 1.769e-06 1.769e-06
N(-3) 1.485e-005 1.485e-005 N(-3) 1.485e-05 1.485e-05
N(5) 1.692e-005 1.692e-005 N(5) 1.692e-05 1.692e-05
Na 6.133e-006 6.133e-006 Na 6.133e-06 6.133e-06
S(6) 1.353e-005 1.353e-005 S(6) 1.353e-05 1.353e-05
----------------------------Description of solution---------------------------- ----------------------------Description of solution----------------------------
@ -71,16 +71,16 @@ Initial solution 1. Precipitation from Central Oklahoma
Specific Conductance (uS/cm, 25 oC) = 17 Specific Conductance (uS/cm, 25 oC) = 17
Density (g/cm3) = 0.99705 Density (g/cm3) = 0.99705
Activity of water = 1.000 Activity of water = 1.000
Ionic strength = 8.838e-005 Ionic strength = 8.838e-05
Mass of water (kg) = 1.000e+000 Mass of water (kg) = 1.000e+00
Total alkalinity (eq/kg) = -3.185e-005 Total alkalinity (eq/kg) = -3.185e-05
Total CO2 (mol/kg) = 1.092e-005 Total CO2 (mol/kg) = 1.092e-05
Temperature (deg C) = 25.00 Temperature (deg C) = 25.00
Electrical balance (eq) = 2.581e-005 Electrical balance (eq) = 2.581e-05
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 20.29 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 20.29
Iterations = 3 Iterations = 3
Total H = 1.110125e+002 Total H = 1.110125e+02
Total O = 5.550634e+001 Total O = 5.550634e+01
---------------------------------Redox couples--------------------------------- ---------------------------------Redox couples---------------------------------
@ -93,63 +93,63 @@ Initial solution 1. Precipitation from Central Oklahoma
Log Log Log Log Log Log
Species Molality Activity Molality Activity Gamma Species Molality Activity Molality Activity Gamma
H+ 3.196e-005 3.162e-005 -4.495 -4.500 -0.005 H+ 3.196e-05 3.162e-05 -4.495 -4.500 -0.005
OH- 3.200e-010 3.166e-010 -9.495 -9.500 -0.005 OH- 3.200e-10 3.166e-10 -9.495 -9.500 -0.005
H2O 5.551e+001 1.000e+000 1.744 -0.000 0.000 H2O 5.551e+01 1.000e+00 1.744 -0.000 0.000
C(4) 1.092e-005 C(4) 1.092e-05
CO2 1.077e-005 1.077e-005 -4.968 -4.968 0.000 CO2 1.077e-05 1.077e-05 -4.968 -4.968 0.000
HCO3- 1.531e-007 1.514e-007 -6.815 -6.820 -0.005 HCO3- 1.531e-07 1.514e-07 -6.815 -6.820 -0.005
CaHCO3+ 1.787e-011 1.768e-011 -10.748 -10.753 -0.005 CaHCO3+ 1.787e-11 1.768e-11 -10.748 -10.753 -0.005
MgHCO3+ 3.025e-012 2.992e-012 -11.519 -11.524 -0.005 MgHCO3+ 3.025e-12 2.992e-12 -11.519 -11.524 -0.005
NaHCO3 5.166e-013 5.166e-013 -12.287 -12.287 0.000 NaHCO3 5.166e-13 5.166e-13 -12.287 -12.287 0.000
CO3-2 2.345e-013 2.246e-013 -12.630 -12.649 -0.019 CO3-2 2.345e-13 2.246e-13 -12.630 -12.649 -0.019
CaCO3 3.452e-015 3.452e-015 -14.462 -14.462 0.000 CaCO3 3.452e-15 3.452e-15 -14.462 -14.462 0.000
MgCO3 3.619e-016 3.619e-016 -15.441 -15.441 0.000 MgCO3 3.619e-16 3.619e-16 -15.441 -15.441 0.000
NaCO3- 2.565e-017 2.537e-017 -16.591 -16.596 -0.005 NaCO3- 2.565e-17 2.537e-17 -16.591 -16.596 -0.005
Ca 9.581e-006 Ca 9.581e-06
Ca+2 9.557e-006 9.151e-006 -5.020 -5.039 -0.019 Ca+2 9.557e-06 9.151e-06 -5.020 -5.039 -0.019
CaSO4 2.353e-008 2.353e-008 -7.628 -7.628 0.000 CaSO4 2.353e-08 2.353e-08 -7.628 -7.628 0.000
CaHCO3+ 1.787e-011 1.768e-011 -10.748 -10.753 -0.005 CaHCO3+ 1.787e-11 1.768e-11 -10.748 -10.753 -0.005
CaHSO4+ 4.408e-012 4.360e-012 -11.356 -11.361 -0.005 CaHSO4+ 4.408e-12 4.360e-12 -11.356 -11.361 -0.005
CaOH+ 4.855e-014 4.803e-014 -13.314 -13.319 -0.005 CaOH+ 4.855e-14 4.803e-14 -13.314 -13.319 -0.005
CaCO3 3.452e-015 3.452e-015 -14.462 -14.462 0.000 CaCO3 3.452e-15 3.452e-15 -14.462 -14.462 0.000
Cl 6.657e-006 Cl 6.657e-06
Cl- 6.657e-006 6.585e-006 -5.177 -5.181 -0.005 Cl- 6.657e-06 6.585e-06 -5.177 -5.181 -0.005
H(0) 1.416e-020 H(0) 1.416e-20
H2 7.079e-021 7.079e-021 -20.150 -20.150 0.000 H2 7.079e-21 7.079e-21 -20.150 -20.150 0.000
K 9.207e-007 K 9.207e-07
K+ 9.206e-007 9.106e-007 -6.036 -6.041 -0.005 K+ 9.206e-07 9.106e-07 -6.036 -6.041 -0.005
KSO4- 8.337e-011 8.247e-011 -10.079 -10.084 -0.005 KSO4- 8.337e-11 8.247e-11 -10.079 -10.084 -0.005
KOH 9.984e-017 9.985e-017 -16.001 -16.001 0.000 KOH 9.984e-17 9.985e-17 -16.001 -16.001 0.000
Mg 1.769e-006 Mg 1.769e-06
Mg+2 1.764e-006 1.689e-006 -5.754 -5.772 -0.019 Mg+2 1.764e-06 1.689e-06 -5.754 -5.772 -0.019
MgSO4 5.103e-009 5.103e-009 -8.292 -8.292 0.000 MgSO4 5.103e-09 5.103e-09 -8.292 -8.292 0.000
MgHCO3+ 3.025e-012 2.992e-012 -11.519 -11.524 -0.005 MgHCO3+ 3.025e-12 2.992e-12 -11.519 -11.524 -0.005
MgOH+ 1.960e-013 1.939e-013 -12.708 -12.712 -0.005 MgOH+ 1.960e-13 1.939e-13 -12.708 -12.712 -0.005
MgCO3 3.619e-016 3.619e-016 -15.441 -15.441 0.000 MgCO3 3.619e-16 3.619e-16 -15.441 -15.441 0.000
N(-3) 1.485e-005 N(-3) 1.485e-05
NH4+ 1.485e-005 1.469e-005 -4.828 -4.833 -0.005 NH4+ 1.485e-05 1.469e-05 -4.828 -4.833 -0.005
NH4SO4- 2.465e-009 2.438e-009 -8.608 -8.613 -0.005 NH4SO4- 2.465e-09 2.438e-09 -8.608 -8.613 -0.005
NH3 2.646e-010 2.647e-010 -9.577 -9.577 0.000 NH3 2.646e-10 2.647e-10 -9.577 -9.577 0.000
N(5) 1.692e-005 N(5) 1.692e-05
NO3- 1.692e-005 1.674e-005 -4.772 -4.776 -0.005 NO3- 1.692e-05 1.674e-05 -4.772 -4.776 -0.005
Na 6.133e-006 Na 6.133e-06
Na+ 6.133e-006 6.066e-006 -5.212 -5.217 -0.005 Na+ 6.133e-06 6.066e-06 -5.212 -5.217 -0.005
NaSO4- 3.962e-010 3.919e-010 -9.402 -9.407 -0.005 NaSO4- 3.962e-10 3.919e-10 -9.402 -9.407 -0.005
NaHCO3 5.166e-013 5.166e-013 -12.287 -12.287 0.000 NaHCO3 5.166e-13 5.166e-13 -12.287 -12.287 0.000
NaOH 1.267e-015 1.267e-015 -14.897 -14.897 0.000 NaOH 1.267e-15 1.267e-15 -14.897 -14.897 0.000
NaCO3- 2.565e-017 2.537e-017 -16.591 -16.596 -0.005 NaCO3- 2.565e-17 2.537e-17 -16.591 -16.596 -0.005
O(0) 0.000e+000 O(0) 0.000e+00
O2 0.000e+000 0.000e+000 -52.080 -52.080 0.000 O2 0.000e+00 0.000e+00 -52.080 -52.080 0.000
S(6) 1.353e-005 S(6) 1.353e-05
SO4-2 1.346e-005 1.289e-005 -4.871 -4.890 -0.019 SO4-2 1.346e-05 1.289e-05 -4.871 -4.890 -0.019
HSO4- 4.006e-008 3.963e-008 -7.397 -7.402 -0.005 HSO4- 4.006e-08 3.963e-08 -7.397 -7.402 -0.005
CaSO4 2.353e-008 2.353e-008 -7.628 -7.628 0.000 CaSO4 2.353e-08 2.353e-08 -7.628 -7.628 0.000
MgSO4 5.103e-009 5.103e-009 -8.292 -8.292 0.000 MgSO4 5.103e-09 5.103e-09 -8.292 -8.292 0.000
NH4SO4- 2.465e-009 2.438e-009 -8.608 -8.613 -0.005 NH4SO4- 2.465e-09 2.438e-09 -8.608 -8.613 -0.005
NaSO4- 3.962e-010 3.919e-010 -9.402 -9.407 -0.005 NaSO4- 3.962e-10 3.919e-10 -9.402 -9.407 -0.005
KSO4- 8.337e-011 8.247e-011 -10.079 -10.084 -0.005 KSO4- 8.337e-11 8.247e-11 -10.079 -10.084 -0.005
CaHSO4+ 4.408e-012 4.360e-012 -11.356 -11.361 -0.005 CaHSO4+ 4.408e-12 4.360e-12 -11.356 -11.361 -0.005
------------------------------Saturation indices------------------------------- ------------------------------Saturation indices-------------------------------
@ -179,7 +179,7 @@ Using reaction 1.
Reaction 1. Irreversible reaction defined in simulation 1. Reaction 1. Irreversible reaction defined in simulation 1.
5.273e+001 moles of the following reaction have been added: 5.273e+01 moles of the following reaction have been added:
Relative Relative
Reactant moles Reactant moles
@ -195,14 +195,14 @@ Reaction 1. Irreversible reaction defined in simulation 1.
Elements Molality Moles Elements Molality Moles
C 2.183e-004 1.092e-005 C 2.183e-04 1.092e-05
Ca 1.916e-004 9.581e-006 Ca 1.916e-04 9.581e-06
Cl 1.331e-004 6.657e-006 Cl 1.331e-04 6.657e-06
K 1.841e-005 9.207e-007 K 1.841e-05 9.207e-07
Mg 3.536e-005 1.769e-006 Mg 3.536e-05 1.769e-06
N 6.352e-004 3.177e-005 N 6.352e-04 3.177e-05
Na 1.226e-004 6.133e-006 Na 1.226e-04 6.133e-06
S 2.706e-004 1.353e-005 S 2.706e-04 1.353e-05
----------------------------Description of solution---------------------------- ----------------------------Description of solution----------------------------
@ -211,89 +211,89 @@ Reaction 1. Irreversible reaction defined in simulation 1.
Specific Conductance (uS/cm, 25 oC) = 342 Specific Conductance (uS/cm, 25 oC) = 342
Density (g/cm3) = 0.99709 Density (g/cm3) = 0.99709
Activity of water = 1.000 Activity of water = 1.000
Ionic strength = 1.528e-003 Ionic strength = 1.528e-03
Mass of water (kg) = 5.002e-002 Mass of water (kg) = 5.002e-02
Total alkalinity (eq/kg) = -7.555e-004 Total alkalinity (eq/kg) = -7.555e-04
Total CO2 (mol/kg) = 2.183e-004 Total CO2 (mol/kg) = 2.183e-04
Temperature (deg C) = 25.00 Temperature (deg C) = 25.00
Electrical balance (eq) = 2.581e-005 Electrical balance (eq) = 2.581e-05
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 24.31 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 24.31
Iterations = 32 Iterations = 32
Total H = 5.552525e+000 Total H = 5.552525e+00
Total O = 2.776344e+000 Total O = 2.776344e+00
----------------------------Distribution of species---------------------------- ----------------------------Distribution of species----------------------------
Log Log Log Log Log Log
Species Molality Activity Molality Activity Gamma Species Molality Activity Molality Activity Gamma
H+ 7.406e-004 7.108e-004 -3.130 -3.148 -0.018 H+ 7.406e-04 7.108e-04 -3.130 -3.148 -0.018
OH- 1.472e-011 1.408e-011 -10.832 -10.851 -0.019 OH- 1.472e-11 1.408e-11 -10.832 -10.851 -0.019
H2O 5.551e+001 1.000e+000 1.744 -0.000 0.000 H2O 5.551e+01 1.000e+00 1.744 -0.000 0.000
C(-4) 0.000e+000 C(-4) 0.000e+00
CH4 0.000e+000 0.000e+000 -136.693 -136.693 0.000 CH4 0.000e+00 0.000e+00 -136.693 -136.693 0.000
C(4) 2.183e-004 C(4) 2.183e-04
CO2 2.182e-004 2.182e-004 -3.661 -3.661 0.000 CO2 2.182e-04 2.182e-04 -3.661 -3.661 0.000
HCO3- 1.425e-007 1.366e-007 -6.846 -6.865 -0.019 HCO3- 1.425e-07 1.366e-07 -6.846 -6.865 -0.019
CaHCO3+ 2.834e-010 2.715e-010 -9.548 -9.566 -0.019 CaHCO3+ 2.834e-10 2.715e-10 -9.548 -9.566 -0.019
MgHCO3+ 4.780e-011 4.576e-011 -10.321 -10.340 -0.019 MgHCO3+ 4.780e-11 4.576e-11 -10.321 -10.340 -0.019
NaHCO3 9.005e-012 9.008e-012 -11.046 -11.045 0.000 NaHCO3 9.005e-12 9.008e-12 -11.046 -11.045 0.000
CO3-2 1.070e-014 9.010e-015 -13.971 -14.045 -0.074 CO3-2 1.070e-14 9.010e-15 -13.971 -14.045 -0.074
CaCO3 2.358e-015 2.359e-015 -14.627 -14.627 0.000 CaCO3 2.358e-15 2.359e-15 -14.627 -14.627 0.000
MgCO3 2.461e-016 2.462e-016 -15.609 -15.609 0.000 MgCO3 2.461e-16 2.462e-16 -15.609 -15.609 0.000
NaCO3- 2.056e-017 1.968e-017 -16.687 -16.706 -0.019 NaCO3- 2.056e-17 1.968e-17 -16.687 -16.706 -0.019
Ca 1.916e-004 Ca 1.916e-04
Ca+2 1.851e-004 1.559e-004 -3.733 -3.807 -0.075 Ca+2 1.851e-04 1.559e-04 -3.733 -3.807 -0.075
CaSO4 6.474e-006 6.477e-006 -5.189 -5.189 0.000 CaSO4 6.474e-06 6.477e-06 -5.189 -5.189 0.000
CaHSO4+ 2.817e-008 2.697e-008 -7.550 -7.569 -0.019 CaHSO4+ 2.817e-08 2.697e-08 -7.550 -7.569 -0.019
CaHCO3+ 2.834e-010 2.715e-010 -9.548 -9.566 -0.019 CaHCO3+ 2.834e-10 2.715e-10 -9.548 -9.566 -0.019
CaOH+ 3.801e-014 3.639e-014 -13.420 -13.439 -0.019 CaOH+ 3.801e-14 3.639e-14 -13.420 -13.439 -0.019
CaCO3 2.358e-015 2.359e-015 -14.627 -14.627 0.000 CaCO3 2.358e-15 2.359e-15 -14.627 -14.627 0.000
Cl 1.331e-004 Cl 1.331e-04
Cl- 1.331e-004 1.274e-004 -3.876 -3.895 -0.019 Cl- 1.331e-04 1.274e-04 -3.876 -3.895 -0.019
H(0) 0.000e+000 H(0) 0.000e+00
H2 0.000e+000 0.000e+000 -42.506 -42.506 0.000 H2 0.000e+00 0.000e+00 -42.506 -42.506 0.000
K 1.841e-005 K 1.841e-05
K+ 1.838e-005 1.759e-005 -4.736 -4.755 -0.019 K+ 1.838e-05 1.759e-05 -4.736 -4.755 -0.019
KSO4- 2.689e-008 2.575e-008 -7.570 -7.589 -0.019 KSO4- 2.689e-08 2.575e-08 -7.570 -7.589 -0.019
KOH 8.579e-017 8.582e-017 -16.067 -16.066 0.000 KOH 8.579e-17 8.582e-17 -16.067 -16.066 0.000
Mg 3.536e-005 Mg 3.536e-05
Mg+2 3.396e-005 2.864e-005 -4.469 -4.543 -0.074 Mg+2 3.396e-05 2.864e-05 -4.469 -4.543 -0.074
MgSO4 1.398e-006 1.398e-006 -5.855 -5.854 0.000 MgSO4 1.398e-06 1.398e-06 -5.855 -5.854 0.000
MgHCO3+ 4.780e-011 4.576e-011 -10.321 -10.340 -0.019 MgHCO3+ 4.780e-11 4.576e-11 -10.321 -10.340 -0.019
MgOH+ 1.528e-013 1.463e-013 -12.816 -12.835 -0.019 MgOH+ 1.528e-13 1.463e-13 -12.816 -12.835 -0.019
MgCO3 2.461e-016 2.462e-016 -15.609 -15.609 0.000 MgCO3 2.461e-16 2.462e-16 -15.609 -15.609 0.000
N(-3) 0.000e+000 N(-3) 0.000e+00
NH4+ 0.000e+000 0.000e+000 -48.438 -48.457 -0.019 NH4+ 0.000e+00 0.000e+00 -48.438 -48.457 -0.019
NH4SO4- 0.000e+000 0.000e+000 -51.009 -51.028 -0.019 NH4SO4- 0.000e+00 0.000e+00 -51.009 -51.028 -0.019
NH3 0.000e+000 0.000e+000 -54.553 -54.553 0.000 NH3 0.000e+00 0.000e+00 -54.553 -54.553 0.000
N(0) 4.751e-004 N(0) 4.751e-04
N2 2.375e-004 2.376e-004 -3.624 -3.624 0.000 N2 2.375e-04 2.376e-04 -3.624 -3.624 0.000
N(3) 2.623e-015 N(3) 2.623e-15
NO2- 2.623e-015 2.510e-015 -14.581 -14.600 -0.019 NO2- 2.623e-15 2.510e-15 -14.581 -14.600 -0.019
N(5) 1.601e-004 N(5) 1.601e-04
NO3- 1.601e-004 1.532e-004 -3.796 -3.815 -0.019 NO3- 1.601e-04 1.532e-04 -3.796 -3.815 -0.019
Na 1.226e-004 Na 1.226e-04
Na+ 1.225e-004 1.173e-004 -3.912 -3.931 -0.019 Na+ 1.225e-04 1.173e-04 -3.912 -3.931 -0.019
NaSO4- 1.279e-007 1.224e-007 -6.893 -6.912 -0.019 NaSO4- 1.279e-07 1.224e-07 -6.893 -6.912 -0.019
NaHCO3 9.005e-012 9.008e-012 -11.046 -11.045 0.000 NaHCO3 9.005e-12 9.008e-12 -11.046 -11.045 0.000
NaOH 1.090e-015 1.090e-015 -14.963 -14.962 0.000 NaOH 1.090e-15 1.090e-15 -14.963 -14.962 0.000
NaCO3- 2.056e-017 1.968e-017 -16.687 -16.706 -0.019 NaCO3- 2.056e-17 1.968e-17 -16.687 -16.706 -0.019
O(0) 8.553e-008 O(0) 8.553e-08
O2 4.277e-008 4.278e-008 -7.369 -7.369 0.000 O2 4.277e-08 4.278e-08 -7.369 -7.369 0.000
S(-2) 0.000e+000 S(-2) 0.000e+00
H2S 0.000e+000 0.000e+000 -126.809 -126.809 0.000 H2S 0.000e+00 0.000e+00 -126.809 -126.809 0.000
HS- 0.000e+000 0.000e+000 -130.583 -130.602 -0.019 HS- 0.000e+00 0.000e+00 -130.583 -130.602 -0.019
S-2 0.000e+000 0.000e+000 -140.297 -140.372 -0.075 S-2 0.000e+00 0.000e+00 -140.297 -140.372 -0.075
S(6) 2.706e-004 S(6) 2.706e-04
SO4-2 2.475e-004 2.083e-004 -3.606 -3.681 -0.075 SO4-2 2.475e-04 2.083e-04 -3.606 -3.681 -0.075
HSO4- 1.503e-005 1.439e-005 -4.823 -4.842 -0.019 HSO4- 1.503e-05 1.439e-05 -4.823 -4.842 -0.019
CaSO4 6.474e-006 6.477e-006 -5.189 -5.189 0.000 CaSO4 6.474e-06 6.477e-06 -5.189 -5.189 0.000
MgSO4 1.398e-006 1.398e-006 -5.855 -5.854 0.000 MgSO4 1.398e-06 1.398e-06 -5.855 -5.854 0.000
NaSO4- 1.279e-007 1.224e-007 -6.893 -6.912 -0.019 NaSO4- 1.279e-07 1.224e-07 -6.893 -6.912 -0.019
CaHSO4+ 2.817e-008 2.697e-008 -7.550 -7.569 -0.019 CaHSO4+ 2.817e-08 2.697e-08 -7.550 -7.569 -0.019
KSO4- 2.689e-008 2.575e-008 -7.570 -7.589 -0.019 KSO4- 2.689e-08 2.575e-08 -7.570 -7.589 -0.019
NH4SO4- 0.000e+000 0.000e+000 -51.009 -51.028 -0.019 NH4SO4- 0.000e+00 0.000e+00 -51.009 -51.028 -0.019
------------------------------Saturation indices------------------------------- ------------------------------Saturation indices-------------------------------
@ -345,20 +345,20 @@ Using mix 1.
Mixture 1. Mixture 1.
2.000e+001 Solution 2 Solution after simulation 1. 2.000e+01 Solution 2 Solution after simulation 1.
-----------------------------Solution composition------------------------------ -----------------------------Solution composition------------------------------
Elements Molality Moles Elements Molality Moles
C 2.183e-004 2.184e-004 C 2.183e-04 2.184e-04
Ca 1.916e-004 1.916e-004 Ca 1.916e-04 1.916e-04
Cl 1.331e-004 1.331e-004 Cl 1.331e-04 1.331e-04
K 1.841e-005 1.841e-005 K 1.841e-05 1.841e-05
Mg 3.536e-005 3.537e-005 Mg 3.536e-05 3.537e-05
N 6.352e-004 6.354e-004 N 6.352e-04 6.354e-04
Na 1.226e-004 1.227e-004 Na 1.226e-04 1.227e-04
S 2.706e-004 2.707e-004 S 2.706e-04 2.707e-04
----------------------------Description of solution---------------------------- ----------------------------Description of solution----------------------------
@ -367,89 +367,89 @@ Mixture 1.
Specific Conductance (uS/cm, 25 oC) = 342 Specific Conductance (uS/cm, 25 oC) = 342
Density (g/cm3) = 0.99709 Density (g/cm3) = 0.99709
Activity of water = 1.000 Activity of water = 1.000
Ionic strength = 1.528e-003 Ionic strength = 1.528e-03
Mass of water (kg) = 1.000e+000 Mass of water (kg) = 1.000e+00
Total alkalinity (eq/kg) = -7.555e-004 Total alkalinity (eq/kg) = -7.555e-04
Total CO2 (mol/kg) = 2.183e-004 Total CO2 (mol/kg) = 2.183e-04
Temperature (deg C) = 25.00 Temperature (deg C) = 25.00
Electrical balance (eq) = 5.162e-004 Electrical balance (eq) = 5.162e-04
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 24.31 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 24.31
Iterations = 0 Iterations = 0
Total H = 1.110505e+002 Total H = 1.110505e+02
Total O = 5.552687e+001 Total O = 5.552687e+01
----------------------------Distribution of species---------------------------- ----------------------------Distribution of species----------------------------
Log Log Log Log Log Log
Species Molality Activity Molality Activity Gamma Species Molality Activity Molality Activity Gamma
H+ 7.406e-004 7.108e-004 -3.130 -3.148 -0.018 H+ 7.406e-04 7.108e-04 -3.130 -3.148 -0.018
OH- 1.472e-011 1.408e-011 -10.832 -10.851 -0.019 OH- 1.472e-11 1.408e-11 -10.832 -10.851 -0.019
H2O 5.551e+001 1.000e+000 1.744 -0.000 0.000 H2O 5.551e+01 1.000e+00 1.744 -0.000 0.000
C(-4) 0.000e+000 C(-4) 0.000e+00
CH4 0.000e+000 0.000e+000 -136.693 -136.693 0.000 CH4 0.000e+00 0.000e+00 -136.693 -136.693 0.000
C(4) 2.183e-004 C(4) 2.183e-04
CO2 2.182e-004 2.182e-004 -3.661 -3.661 0.000 CO2 2.182e-04 2.182e-04 -3.661 -3.661 0.000
HCO3- 1.425e-007 1.366e-007 -6.846 -6.865 -0.019 HCO3- 1.425e-07 1.366e-07 -6.846 -6.865 -0.019
CaHCO3+ 2.834e-010 2.715e-010 -9.548 -9.566 -0.019 CaHCO3+ 2.834e-10 2.715e-10 -9.548 -9.566 -0.019
MgHCO3+ 4.780e-011 4.576e-011 -10.321 -10.340 -0.019 MgHCO3+ 4.780e-11 4.576e-11 -10.321 -10.340 -0.019
NaHCO3 9.005e-012 9.008e-012 -11.046 -11.045 0.000 NaHCO3 9.005e-12 9.008e-12 -11.046 -11.045 0.000
CO3-2 1.070e-014 9.010e-015 -13.971 -14.045 -0.074 CO3-2 1.070e-14 9.010e-15 -13.971 -14.045 -0.074
CaCO3 2.358e-015 2.359e-015 -14.627 -14.627 0.000 CaCO3 2.358e-15 2.359e-15 -14.627 -14.627 0.000
MgCO3 2.461e-016 2.462e-016 -15.609 -15.609 0.000 MgCO3 2.461e-16 2.462e-16 -15.609 -15.609 0.000
NaCO3- 2.056e-017 1.968e-017 -16.687 -16.706 -0.019 NaCO3- 2.056e-17 1.968e-17 -16.687 -16.706 -0.019
Ca 1.916e-004 Ca 1.916e-04
Ca+2 1.851e-004 1.559e-004 -3.733 -3.807 -0.075 Ca+2 1.851e-04 1.559e-04 -3.733 -3.807 -0.075
CaSO4 6.474e-006 6.477e-006 -5.189 -5.189 0.000 CaSO4 6.474e-06 6.477e-06 -5.189 -5.189 0.000
CaHSO4+ 2.817e-008 2.697e-008 -7.550 -7.569 -0.019 CaHSO4+ 2.817e-08 2.697e-08 -7.550 -7.569 -0.019
CaHCO3+ 2.834e-010 2.715e-010 -9.548 -9.566 -0.019 CaHCO3+ 2.834e-10 2.715e-10 -9.548 -9.566 -0.019
CaOH+ 3.801e-014 3.639e-014 -13.420 -13.439 -0.019 CaOH+ 3.801e-14 3.639e-14 -13.420 -13.439 -0.019
CaCO3 2.358e-015 2.359e-015 -14.627 -14.627 0.000 CaCO3 2.358e-15 2.359e-15 -14.627 -14.627 0.000
Cl 1.331e-004 Cl 1.331e-04
Cl- 1.331e-004 1.274e-004 -3.876 -3.895 -0.019 Cl- 1.331e-04 1.274e-04 -3.876 -3.895 -0.019
H(0) 0.000e+000 H(0) 0.000e+00
H2 0.000e+000 0.000e+000 -42.506 -42.506 0.000 H2 0.000e+00 0.000e+00 -42.506 -42.506 0.000
K 1.841e-005 K 1.841e-05
K+ 1.838e-005 1.759e-005 -4.736 -4.755 -0.019 K+ 1.838e-05 1.759e-05 -4.736 -4.755 -0.019
KSO4- 2.689e-008 2.575e-008 -7.570 -7.589 -0.019 KSO4- 2.689e-08 2.575e-08 -7.570 -7.589 -0.019
KOH 8.579e-017 8.582e-017 -16.067 -16.066 0.000 KOH 8.579e-17 8.582e-17 -16.067 -16.066 0.000
Mg 3.536e-005 Mg 3.536e-05
Mg+2 3.396e-005 2.864e-005 -4.469 -4.543 -0.074 Mg+2 3.396e-05 2.864e-05 -4.469 -4.543 -0.074
MgSO4 1.398e-006 1.398e-006 -5.855 -5.854 0.000 MgSO4 1.398e-06 1.398e-06 -5.855 -5.854 0.000
MgHCO3+ 4.780e-011 4.576e-011 -10.321 -10.340 -0.019 MgHCO3+ 4.780e-11 4.576e-11 -10.321 -10.340 -0.019
MgOH+ 1.528e-013 1.463e-013 -12.816 -12.835 -0.019 MgOH+ 1.528e-13 1.463e-13 -12.816 -12.835 -0.019
MgCO3 2.461e-016 2.462e-016 -15.609 -15.609 0.000 MgCO3 2.461e-16 2.462e-16 -15.609 -15.609 0.000
N(-3) 0.000e+000 N(-3) 0.000e+00
NH4+ 0.000e+000 0.000e+000 -48.438 -48.457 -0.019 NH4+ 0.000e+00 0.000e+00 -48.438 -48.457 -0.019
NH4SO4- 0.000e+000 0.000e+000 -51.009 -51.028 -0.019 NH4SO4- 0.000e+00 0.000e+00 -51.009 -51.028 -0.019
NH3 0.000e+000 0.000e+000 -54.553 -54.553 0.000 NH3 0.000e+00 0.000e+00 -54.553 -54.553 0.000
N(0) 4.751e-004 N(0) 4.751e-04
N2 2.375e-004 2.376e-004 -3.624 -3.624 0.000 N2 2.375e-04 2.376e-04 -3.624 -3.624 0.000
N(3) 2.623e-015 N(3) 2.623e-15
NO2- 2.623e-015 2.510e-015 -14.581 -14.600 -0.019 NO2- 2.623e-15 2.510e-15 -14.581 -14.600 -0.019
N(5) 1.601e-004 N(5) 1.601e-04
NO3- 1.601e-004 1.532e-004 -3.796 -3.815 -0.019 NO3- 1.601e-04 1.532e-04 -3.796 -3.815 -0.019
Na 1.226e-004 Na 1.226e-04
Na+ 1.225e-004 1.173e-004 -3.912 -3.931 -0.019 Na+ 1.225e-04 1.173e-04 -3.912 -3.931 -0.019
NaSO4- 1.279e-007 1.224e-007 -6.893 -6.912 -0.019 NaSO4- 1.279e-07 1.224e-07 -6.893 -6.912 -0.019
NaHCO3 9.005e-012 9.008e-012 -11.046 -11.045 0.000 NaHCO3 9.005e-12 9.008e-12 -11.046 -11.045 0.000
NaOH 1.090e-015 1.090e-015 -14.963 -14.962 0.000 NaOH 1.090e-15 1.090e-15 -14.963 -14.962 0.000
NaCO3- 2.056e-017 1.968e-017 -16.687 -16.706 -0.019 NaCO3- 2.056e-17 1.968e-17 -16.687 -16.706 -0.019
O(0) 8.553e-008 O(0) 8.553e-08
O2 4.277e-008 4.278e-008 -7.369 -7.369 0.000 O2 4.277e-08 4.278e-08 -7.369 -7.369 0.000
S(-2) 0.000e+000 S(-2) 0.000e+00
H2S 0.000e+000 0.000e+000 -126.809 -126.809 0.000 H2S 0.000e+00 0.000e+00 -126.809 -126.809 0.000
HS- 0.000e+000 0.000e+000 -130.583 -130.602 -0.019 HS- 0.000e+00 0.000e+00 -130.583 -130.602 -0.019
S-2 0.000e+000 0.000e+000 -140.297 -140.372 -0.075 S-2 0.000e+00 0.000e+00 -140.297 -140.372 -0.075
S(6) 2.706e-004 S(6) 2.706e-04
SO4-2 2.475e-004 2.083e-004 -3.606 -3.681 -0.075 SO4-2 2.475e-04 2.083e-04 -3.606 -3.681 -0.075
HSO4- 1.503e-005 1.439e-005 -4.823 -4.842 -0.019 HSO4- 1.503e-05 1.439e-05 -4.823 -4.842 -0.019
CaSO4 6.474e-006 6.477e-006 -5.189 -5.189 0.000 CaSO4 6.474e-06 6.477e-06 -5.189 -5.189 0.000
MgSO4 1.398e-006 1.398e-006 -5.855 -5.854 0.000 MgSO4 1.398e-06 1.398e-06 -5.855 -5.854 0.000
NaSO4- 1.279e-007 1.224e-007 -6.893 -6.912 -0.019 NaSO4- 1.279e-07 1.224e-07 -6.893 -6.912 -0.019
CaHSO4+ 2.817e-008 2.697e-008 -7.550 -7.569 -0.019 CaHSO4+ 2.817e-08 2.697e-08 -7.550 -7.569 -0.019
KSO4- 2.689e-008 2.575e-008 -7.570 -7.589 -0.019 KSO4- 2.689e-08 2.575e-08 -7.570 -7.589 -0.019
NH4SO4- 0.000e+000 0.000e+000 -51.009 -51.028 -0.019 NH4SO4- 0.000e+00 0.000e+00 -51.009 -51.028 -0.019
------------------------------Saturation indices------------------------------- ------------------------------Saturation indices-------------------------------

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@ -1,8 +1,8 @@
sim state soln dist_x time step pH pe Cl pyrite d_pyrite goethite d_goethite calcite d_calcite CO2(g) d_CO2(g) gypsum d_gypsum si_Gypsum sim state soln dist_x time step pH pe Cl pyrite d_pyrite goethite d_goethite calcite d_calcite CO2(g) d_CO2(g) gypsum d_gypsum si_Gypsum
1 i_soln 1 -99 -99 -99 7 4 0.0000e+000 0.0000e+000 0.0000e+000 0.0000e+000 0.0000e+000 0.0000e+000 0.0000e+000 0.0000e+000 0.0000e+000 0.0000e+000 0.0000e+000 -999.9990 1 i_soln 1 -99 -99 -99 7 4 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 -999.9990
1 react 1 -99 0 1 8.27904 -4.94284 0.0000e+000 1.0000e+001 -3.1538e-008 1.0000e+001 1.1047e-008 9.9995e+000 -4.9340e-004 9.9995e+000 -4.8697e-004 0.0000e+000 0.0000e+000 -6.1283 1 react 1 -99 0 1 8.27904 -4.94284 0.0000e+00 1.0000e+01 -3.1538e-08 1.0000e+01 1.1047e-08 9.9995e+00 -4.9340e-04 9.9995e+00 -4.8697e-04 0.0000e+00 0.0000e+00 -6.1283
1 react 1 -99 0 2 8.17103 -4.28707 5.0000e-004 9.9997e+000 -2.6667e-004 1.0000e+001 2.6666e-004 9.9991e+000 -9.2766e-004 1.0000e+001 1.4180e-004 0.0000e+000 0.0000e+000 -2.0202 1 react 1 -99 0 2 8.17103 -4.28707 5.0000e-04 9.9997e+00 -2.6667e-04 1.0000e+01 2.6666e-04 9.9991e+00 -9.2766e-04 1.0000e+01 1.4180e-04 0.0000e+00 0.0000e+00 -2.0202
1 react 1 -99 0 3 7.98207 -3.97043 2.5000e-003 9.9987e+000 -1.3333e-003 1.0001e+001 1.3333e-003 9.9971e+000 -2.9374e-003 1.0002e+001 2.3951e-003 0.0000e+000 0.0000e+000 -1.0629 1 react 1 -99 0 3 7.98207 -3.97043 2.5000e-03 9.9987e+00 -1.3333e-03 1.0001e+01 1.3333e-03 9.9971e+00 -2.9374e-03 1.0002e+01 2.3951e-03 0.0000e+00 0.0000e+00 -1.0629
1 react 1 -99 0 4 7.88418 -3.81741 5.0001e-003 9.9973e+000 -2.6667e-003 1.0003e+001 2.6666e-003 9.9944e+000 -5.5594e-003 1.0005e+001 5.1054e-003 0.0000e+000 0.0000e+000 -0.6499 1 react 1 -99 0 4 7.88418 -3.81741 5.0001e-03 9.9973e+00 -2.6667e-03 1.0003e+01 2.6666e-03 9.9944e+00 -5.5594e-03 1.0005e+01 5.1054e-03 0.0000e+00 0.0000e+00 -0.6499
1 react 1 -99 0 5 7.72978 -3.58045 1.5001e-002 9.9920e+000 -8.0000e-003 1.0008e+001 7.9999e-003 9.9838e+000 -1.6175e-002 1.0016e+001 1.5822e-002 0.0000e+000 0.0000e+000 -0.0323 1 react 1 -99 0 5 7.72978 -3.58045 1.5001e-02 9.9920e+00 -8.0000e-03 1.0008e+01 7.9999e-03 9.9838e+00 -1.6175e-02 1.0016e+01 1.5822e-02 0.0000e+00 0.0000e+00 -0.0323
1 react 1 -99 0 6 7.71922 -3.56545 2.5011e-002 9.9867e+000 -1.3333e-002 1.0013e+001 1.3333e-002 9.9732e+000 -2.6841e-002 1.0026e+001 2.6489e-002 9.0018e-003 9.0018e-003 0.0000 1 react 1 -99 0 6 7.71922 -3.56545 2.5011e-02 9.9867e+00 -1.3333e-02 1.0013e+01 1.3333e-02 9.9732e+00 -2.6841e-02 1.0026e+01 2.6489e-02 9.0018e-03 9.0018e-03 -0.0000

2662
ex6.out
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ex6A-B.sel
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sim state soln dist_x time step pH pe la_K+ la_H+ la_H4SiO4 Gibbsite d_Gibbsite Kaolinite d_Kaolinite K-mica d_K-mica K-feldspar d_K-feldspar si_Gibbsite si_Kaolinite si_K-mica si_K-feldspar sim state soln dist_x time step pH pe la_K+ la_H+ la_H4SiO4 Gibbsite d_Gibbsite Kaolinite d_Kaolinite K-mica d_K-mica K-feldspar d_K-feldspar si_Gibbsite si_Kaolinite si_K-mica si_K-feldspar
1 i_soln 1 -99 -99 -99 6.99977 4 -1.0000e+003 -6.9998e+000 -1.0000e+003 0.0000e+000 0.0000e+000 0.0000e+000 0.0000e+000 0.0000e+000 0.0000e+000 0.0000e+000 0.0000e+000 -999.9990 -999.9990 -999.9990 -999.9990 1 i_soln 1 -99 -99 -99 6.99977 4 -1.0000e+03 -6.9998e+00 -1.0000e+03 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 -999.9990 -999.9990 -999.9990 -999.9990
2 react 1 -99 0 1 7.00609 11.4683 -7.5735e+000 -7.0061e+000 -7.0969e+000 1.0000e+001 -2.6709e-008 0.0000e+000 0.0000e+000 0.0000e+000 0.0000e+000 0.0000e+000 0.0000e+000 0.0000 -3.8037 -10.6810 -14.6840 2 react 1 -99 0 1 7.00609 11.4683 -7.5735e+00 -7.0061e+00 -7.0969e+00 1.0000e+01 -2.6709e-08 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 0.0000 -3.8037 -10.6810 -14.6840
3 react 1 -99 0 1 8.2125 9.89391 -5.6625e+000 -8.2125e+000 -5.1950e+000 1.7820e-006 1.7820e-006 1.0000e+001 -2.1788e-006 0.0000e+000 0.0000e+000 0.0000e+000 0.0000e+000 0.0000 0.0000 -1.8580 -5.8610 3 react 1 -99 0 1 8.2125 9.89391 -5.6625e+00 -8.2125e+00 -5.1950e+00 1.7820e-06 1.7820e-06 1.0000e+01 -2.1788e-06 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 -0.0000 -0.0000 -1.8580 -5.8610
4 react 1 -99 0 1 9.10891 9.06313 -4.7009e+000 -9.1089e+000 -4.4670e+000 0.0000e+000 0.0000e+000 9.7149e-006 9.7149e-006 1.0000e+001 -2.0015e-005 0.0000e+000 0.0000e+000 -0.7280 0.0000 0.0000 -2.5471 4 react 1 -99 0 1 9.10891 9.06313 -4.7009e+00 -9.1089e+00 -4.4670e+00 0.0000e+00 0.0000e+00 9.7149e-06 9.7149e-06 1.0000e+01 -2.0015e-05 0.0000e+00 0.0000e+00 -0.7280 -0.0000 -0.0000 -2.5471
5 react 1 -99 0 1 9.3893 8.71926 -3.9009e+000 -9.3893e+000 -3.5536e+000 0.0000e+000 0.0000e+000 0.0000e+000 0.0000e+000 6.3607e-005 6.3607e-005 9.9998e+000 -1.9088e-004 -2.0015 -0.7202 -0.0000 0.0000 5 react 1 -99 0 1 9.3893 8.68345 -3.9009e+00 -9.3893e+00 -3.5536e+00 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 6.3607e-05 6.3607e-05 9.9998e+00 -1.9088e-04 -2.0015 -0.7202 0.0000 0.0000
6 react 1 -99 0 1 8.35402 9.7856 -5.5204e+000 -8.3540e+000 -5.1950e+000 1.0000e+001 -3.0232e-006 1.0000e+000 1.2370e-006 0.0000e+000 0.0000e+000 0.0000e+000 0.0000e+000 0.0000 -0.0000 -1.5744 -5.5774 6 react 1 -99 0 1 8.35402 9.7856 -5.5204e+00 -8.3540e+00 -5.1950e+00 1.0000e+01 -3.0232e-06 1.0000e+00 1.2370e-06 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 -0.0000 -0.0000 -1.5744 -5.5774
7 react 1 -99 0 1 9.06998 8.8364 -4.6620e+000 -9.0700e+000 -4.2522e+000 0.0000e+000 0.0000e+000 1.0000e+001 -3.2683e-005 1.0000e+000 1.0785e-005 0.0000e+000 0.0000e+000 -0.9428 0.0000 0.0000 -2.1175 7 react 1 -99 0 1 9.06998 8.8364 -4.6620e+00 -9.0700e+00 -4.2522e+00 0.0000e+00 0.0000e+00 1.0000e+01 -3.2683e-05 1.0000e+00 1.0785e-05 0.0000e+00 0.0000e+00 -0.9428 -0.0000 -0.0000 -2.1175
8 react 1 -99 0 1 7.03143 11.4569 -7.3981e+000 -7.0314e+000 -6.9215e+000 1.1865e-008 1.1865e-008 0.0000e+000 0.0000e+000 0.0000e+000 0.0000e+000 0.0000e+000 0.0000e+000 0.0000 -3.4530 -9.9542 -13.9572 8 react 1 -99 0 1 7.03143 11.4569 -7.3981e+00 -7.0314e+00 -6.9215e+00 1.1865e-08 1.1865e-08 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 0.0000 -3.4530 -9.9542 -13.9572
8 react 1 -99 0 2 7.10578 11.2881 -7.0971e+000 -7.1058e+000 -6.6206e+000 4.7135e-008 4.7135e-008 0.0000e+000 0.0000e+000 0.0000e+000 0.0000e+000 0.0000e+000 0.0000e+000 -0.0000 -2.8512 -8.6762 -12.6792 8 react 1 -99 0 2 7.10578 11.2881 -7.0971e+00 -7.1058e+00 -6.6206e+00 4.7135e-08 4.7135e-08 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 0.0000 -2.8512 -8.6762 -12.6792
8 react 1 -99 0 3 7.24112 11.2405 -6.7961e+000 -7.2411e+000 -6.3199e+000 1.1602e-007 1.1602e-007 0.0000e+000 0.0000e+000 0.0000e+000 0.0000e+000 0.0000e+000 0.0000e+000 0.0000 -2.2497 -7.3376 -11.3406 8 react 1 -99 0 3 7.24112 11.2405 -6.7961e+00 -7.2411e+00 -6.3199e+00 1.1602e-07 1.1602e-07 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 -0.0000 -2.2497 -7.3376 -11.3406
8 react 1 -99 0 4 7.45138 11.1879 -6.4952e+000 -7.4514e+000 -6.0195e+000 2.4993e-007 2.4993e-007 0.0000e+000 0.0000e+000 0.0000e+000 0.0000e+000 0.0000e+000 0.0000e+000 0.0000 -1.6491 -5.9254 -9.9284 8 react 1 -99 0 4 7.45138 11.1879 -6.4952e+00 -7.4514e+00 -6.0195e+00 2.4993e-07 2.4993e-07 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 -0.0000 -1.6491 -5.9254 -9.9284
8 react 1 -99 0 5 7.71458 10.9939 -6.1942e+000 -7.7146e+000 -5.7200e+000 5.1299e-007 5.1299e-007 0.0000e+000 0.0000e+000 0.0000e+000 0.0000e+000 0.0000e+000 0.0000e+000 0.0000 -1.0500 -4.4627 -8.4657 8 react 1 -99 0 5 7.71458 10.9939 -6.1942e+00 -7.7146e+00 -5.7200e+00 5.1299e-07 5.1299e-07 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 -0.0000 -1.0500 -4.4627 -8.4657
8 react 1 -99 0 6 7.89551 10.7897 -6.0005e+000 -7.8955e+000 -5.5279e+000 8.0811e-007 8.0811e-007 0.0000e+000 0.0000e+000 0.0000e+000 0.0000e+000 0.0000e+000 0.0000e+000 0.0000 -0.6658 -3.5117 -7.5147 8 react 1 -99 0 6 7.89551 10.7897 -6.0005e+00 -7.8955e+00 -5.5279e+00 8.0811e-07 8.0811e-07 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 0.0000 -0.6658 -3.5117 -7.5147
8 react 1 -99 0 7 8.17803 10.4253 -5.6997e+000 -8.1780e+000 -5.2314e+000 1.6334e-006 1.6334e-006 0.0000e+000 0.0000e+000 0.0000e+000 0.0000e+000 0.0000e+000 0.0000e+000 -0.0000 -0.0728 -2.0389 -6.0419 8 react 1 -99 0 7 8.17803 10.6003 -5.6997e+00 -8.1780e+00 -5.2314e+00 1.6334e-06 1.6334e-06 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 0.0000 -0.0728 -2.0389 -6.0419
8 react 1 -99 0 8 8.48402 9.43227 -5.3990e+000 -8.4840e+000 -5.0858e+000 0.0000e+000 0.0000e+000 1.7119e-006 1.7119e-006 0.0000e+000 0.0000e+000 0.0000e+000 0.0000e+000 -0.1092 0.0000 -1.3229 -5.1076 8 react 1 -99 0 8 8.48402 9.4054 -5.3990e+00 -8.4840e+00 -5.0858e+00 0.0000e+00 0.0000e+00 1.7119e-06 1.7119e-06 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 -0.1092 -0.0000 -1.3229 -5.1076
8 react 1 -99 0 9 8.77878 9.59586 -5.0983e+000 -8.7788e+000 -4.8166e+000 0.0000e+000 0.0000e+000 3.6945e-006 3.6945e-006 0.0000e+000 0.0000e+000 0.0000e+000 0.0000e+000 -0.3784 0.0000 -0.7276 -3.9737 8 react 1 -99 0 9 8.77878 9.15385 -5.0983e+00 -8.7788e+00 -4.8166e+00 0.0000e+00 0.0000e+00 3.6945e-06 3.6945e-06 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 -0.3784 -0.0000 -0.7276 -3.9737
8 react 1 -99 0 10 9.0347 8.80148 -4.7979e+000 -9.0347e+000 -4.5514e+000 0.0000e+000 0.0000e+000 7.7006e-006 7.7006e-006 0.0000e+000 0.0000e+000 0.0000e+000 0.0000e+000 -0.6436 0.0000 -0.1712 -2.8871 8 react 1 -99 0 10 9.0347 8.80148 -4.7979e+00 -9.0347e+00 -4.5514e+00 0.0000e+00 0.0000e+00 7.7006e-06 7.7006e-06 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 -0.6436 0.0000 -0.1712 -2.8871
8 react 1 -99 0 11 9.07198 8.83948 -4.6640e+000 -9.0720e+000 -4.2616e+000 0.0000e+000 0.0000e+000 5.2701e-007 5.2701e-007 1.0204e-005 1.0204e-005 0.0000e+000 0.0000e+000 -0.9334 -0.0000 -0.0000 -2.1362 8 react 1 -99 0 11 9.07198 9.2997 -4.6640e+00 -9.0720e+00 -4.2616e+00 0.0000e+00 0.0000e+00 5.2701e-07 5.2701e-07 1.0204e-05 1.0204e-05 0.0000e+00 0.0000e+00 -0.9334 -0.0000 0.0000 -2.1362
8 react 1 -99 0 12 9.2252 8.69156 -4.3726e+000 -9.2252e+000 -3.9889e+000 0.0000e+000 0.0000e+000 0.0000e+000 0.0000e+000 2.1273e-005 2.1273e-005 0.0000e+000 0.0000e+000 -1.3543 -0.2964 0.0000 -1.2945 8 react 1 -99 0 12 9.2252 8.80391 -4.3726e+00 -9.2252e+00 -3.9889e+00 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 2.1273e-05 2.1273e-05 0.0000e+00 0.0000e+00 -1.3543 -0.2964 0.0000 -1.2945
8 react 1 -99 0 13 9.30457 8.56999 -4.1800e+000 -9.3046e+000 -3.8127e+000 0.0000e+000 0.0000e+000 0.0000e+000 0.0000e+000 3.3294e-005 3.3294e-005 0.0000e+000 0.0000e+000 -1.6212 -0.4777 -0.0000 -0.7607 8 react 1 -99 0 13 9.30457 8.57 -4.1800e+00 -9.3046e+00 -3.8127e+00 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 3.3294e-05 3.3294e-05 0.0000e+00 0.0000e+00 -1.6212 -0.4777 0.0000 -0.7607
8 react 1 -99 0 14 9.3893 8.81787 -3.9009e+000 -9.3893e+000 -3.5536e+000 0.0000e+000 0.0000e+000 0.0000e+000 0.0000e+000 6.3607e-005 6.3607e-005 9.1200e-006 9.1200e-006 -2.0015 -0.7202 -0.0000 0.0000 8 react 1 -99 0 14 9.3893 8.96093 -3.9009e+00 -9.3893e+00 -3.5536e+00 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 6.3607e-05 6.3607e-05 9.1200e-06 9.1200e-06 -2.0015 -0.7202 -0.0000 -0.0000

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ex6C.sel
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pH+log[K] log[H4SiO4] pH+log[K] log[H4SiO4]
-6.0002e+000 -1.2524e+001 -6.0002e+00 -1.2524e+01
-1.8975e+000 -8.4212e+000 -1.8975e+00 -8.4212e+00
-8.5316e-001 -7.3798e+000 -8.5316e-01 -7.3798e+00
3.5755e-001 -6.3763e+000 3.5755e-01 -6.3763e+00
2.1823e+000 -5.3818e+000 2.1823e+00 -5.3818e+00
4.1360e+000 -4.6005e+000 4.1360e+00 -4.6005e+00
5.2614e+000 -3.7187e+000 5.2614e+00 -3.7187e+00
5.4884e+000 -3.5536e+000 5.4884e+00 -3.5536e+00
8.0000e+000 -6.3924e+000 8.0000e+00 -6.3924e+00
4.4080e+000 -5.1950e+000 4.4080e+00 -5.1950e+00
4.4080e+000 -3.1935e+000 4.4080e+00 -3.1935e+00
-1.0000e+000 -4.9484e-001 -1.0000e+00 -4.9484e-01
8.0000e+000 -4.3909e+000 8.0000e+00 -4.3909e+00
4.4080e+000 -3.1935e+000 4.4080e+00 -3.1935e+00
4.4080e+000 -5.1950e+000 4.4080e+00 -5.1950e+00
-1.0000e+000 -5.1950e+000 -1.0000e+00 -5.1950e+00

2312
ex7.out
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sim state reaction si_CO2(g) si_CH4(g) si_N2(g) si_NH3(g) pressure total mol volume g_CO2(g) g_CH4(g) g_N2(g) g_NH3(g) sim state reaction si_CO2(g) si_CH4(g) si_N2(g) si_NH3(g) pressure total mol volume g_CO2(g) g_CH4(g) g_N2(g) g_NH3(g)
1 i_soln -99 -999.9990 -999.9990 -999.9990 -999.9990 0.0000e+000 0.0000e+000 0.0000e+000 0.0000e+000 0.0000e+000 0.0000e+000 0.0000e+000 1 i_soln -99 -999.9990 -999.9990 -999.9990 -999.9990 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00
1 react -99 -1.5000 -26.2042 -999.9990 -999.9990 0.0000e+000 0.0000e+000 0.0000e+000 0.0000e+000 0.0000e+000 0.0000e+000 0.0000e+000 1 react -99 -1.5000 -26.1957 -999.9990 -999.9990 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00
2 react 1.0000e-003 -1.3544 -0.4402 -3.8961 -8.3809 1.1000e+000 1.0000e-025 2.2242e-024 0.0000e+000 0.0000e+000 0.0000e+000 0.0000e+000 2 react 1.0000e-03 -1.3544 -0.4402 -3.8961 -8.3809 1.1000e+00 1.0000e-25 2.2242e-24 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00
2 react 2.0000e-003 -1.2453 -0.1392 -3.6436 -8.1826 1.1000e+000 1.0000e-025 2.2242e-024 0.0000e+000 0.0000e+000 0.0000e+000 0.0000e+000 2 react 2.0000e-03 -1.2453 -0.1392 -3.6436 -8.1826 1.1000e+00 1.0000e-25 2.2242e-24 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00
2 react 3.0000e-003 -1.1597 -0.0002 -3.4911 -8.0864 1.1000e+000 1.3518e-004 3.0067e-003 8.5072e-006 1.2284e-004 3.9667e-008 0.0000e+000 2 react 3.0000e-03 -1.1597 -0.0002 -3.4911 -8.0864 1.1000e+00 1.3518e-04 3.0067e-03 8.5072e-06 1.2284e-04 3.9667e-08 0.0000e+00
2 react 4.0000e-003 -1.0937 -0.0052 -3.3105 -8.0228 1.1000e+000 7.1146e-004 1.5824e-002 5.2128e-005 6.3903e-004 3.1639e-007 0.0000e+000 2 react 4.0000e-03 -1.0937 -0.0052 -3.3105 -8.0228 1.1000e+00 7.1146e-04 1.5824e-02 5.2128e-05 6.3903e-04 3.1639e-07 0.0000e+00
2 react 8.0000e-003 -0.9117 -0.0244 -2.8894 -7.8877 1.1000e+000 3.1430e-003 6.9907e-002 3.5018e-004 2.7009e-003 3.6858e-006 0.0000e+000 2 react 8.0000e-03 -0.9117 -0.0244 -2.8894 -7.8877 1.1000e+00 3.1430e-03 6.9907e-02 3.5018e-04 2.7009e-03 3.6858e-06 0.0000e+00
2 react 1.6000e-002 -0.7186 -0.0582 -2.4625 -7.7593 1.1000e+000 8.5745e-003 1.9071e-001 1.4900e-003 6.8168e-003 2.6875e-005 0.0000e+000 2 react 1.6000e-02 -0.7186 -0.0582 -2.4625 -7.7593 1.1000e+00 8.5745e-03 1.9071e-01 1.4900e-03 6.8168e-03 2.6875e-05 0.0000e+00
2 react 3.2000e-002 -0.5494 -0.1092 -2.0389 -7.6301 1.1000e+000 2.1309e-002 4.7395e-001 5.4678e-003 1.5065e-002 1.7712e-004 0.0000e+000 2 react 3.2000e-02 -0.5494 -0.1092 -2.0389 -7.6301 1.1000e+00 2.1309e-02 4.7395e-01 5.4678e-03 1.5065e-02 1.7712e-04 0.0000e+00
2 react 6.4000e-002 -0.4332 -0.1665 -1.7268 -7.5391 1.1000e+000 5.1202e-002 1.1388e+000 1.7167e-002 3.1724e-002 8.7314e-004 0.0000e+000 2 react 6.4000e-02 -0.4332 -0.1665 -1.7268 -7.5391 1.1000e+00 5.1202e-02 1.1388e+00 1.7167e-02 3.1724e-02 8.7314e-04 0.0000e+00
2 react 1.2500e-001 -0.3717 -0.2093 -1.5737 -7.5017 1.1000e+000 1.1352e-001 2.5248e+000 4.3849e-002 6.3726e-002 2.7539e-003 0.0000e+000 2 react 1.2500e-01 -0.3717 -0.2093 -1.5737 -7.5017 1.1000e+00 1.1352e-01 2.5248e+00 4.3849e-02 6.3726e-02 2.7539e-03 0.0000e+00
2 react 2.5000e-001 -0.3402 -0.2359 -1.5030 -7.4881 1.1000e+000 2.4517e-001 5.4531e+000 1.0183e-001 1.2946e-001 7.0001e-003 0.0000e+000 2 react 2.5000e-01 -0.3402 -0.2359 -1.5030 -7.4881 1.1000e+00 2.4517e-01 5.4531e+00 1.0183e-01 1.2946e-01 7.0001e-03 0.0000e+00
2 react 5.0000e-001 -0.3250 -0.2501 -1.4711 -7.4832 1.1000e+000 5.1067e-001 1.1358e+001 2.1964e-001 2.6101e-001 1.5690e-002 0.0000e+000 2 react 5.0000e-01 -0.3250 -0.2501 -1.4711 -7.4832 1.1000e+00 5.1067e-01 1.1358e+01 2.1964e-01 2.6101e-01 1.5690e-02 0.0000e+00
2 react 1.0000e+000 -0.3176 -0.2574 -1.4562 -7.4813 1.1000e+000 1.0428e+000 2.3193e+001 4.5620e-001 5.2412e-001 3.3161e-002 0.0000e+000 2 react 1.0000e+00 -0.3176 -0.2574 -1.4562 -7.4813 1.1000e+00 1.0428e+00 2.3193e+01 4.5620e-01 5.2412e-01 3.3161e-02 0.0000e+00
3 i_gas -99 -1.5000 -999.9990 -999.9990 -999.9990 0.0000e+000 0.0000e+000 0.0000e+000 0.0000e+000 0.0000e+000 0.0000e+000 0.0000e+000 3 i_gas -99 -1.5000 -999.9990 -999.9990 -999.9990 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00
3 react 1.0000e-003 -1.4934 -3.2570 -4.4500 -9.6620 6.3591e-002 6.0274e-002 2.3190e+001 3.0429e-002 5.2448e-004 3.3633e-005 0.0000e+000 3 react 1.0000e-03 -1.4934 -3.2570 -4.4500 -9.6620 6.3591e-02 6.0274e-02 2.3190e+01 3.0429e-02 5.2448e-04 3.3633e-05 0.0000e+00
3 react 2.0000e-003 -1.4870 -2.9559 -4.1477 -9.4003 6.4661e-002 6.1288e-002 2.3190e+001 3.0885e-002 1.0491e-003 6.7465e-005 0.0000e+000 3 react 2.0000e-03 -1.4870 -2.9559 -4.1477 -9.4003 6.4661e-02 6.1288e-02 2.3190e+01 3.0885e-02 1.0491e-03 6.7465e-05 0.0000e+00
3 react 3.0000e-003 -1.4806 -2.7798 -3.9709 -9.2483 6.5731e-002 6.2303e-002 2.3190e+001 3.1341e-002 1.5738e-003 1.0135e-004 0.0000e+000 3 react 3.0000e-03 -1.4806 -2.7798 -3.9709 -9.2483 6.5731e-02 6.2303e-02 2.3190e+01 3.1341e-02 1.5738e-03 1.0135e-04 0.0000e+00
3 react 4.0000e-003 -1.4744 -2.6548 -3.8456 -9.1411 6.6802e-002 6.3317e-002 2.3190e+001 3.1797e-002 2.0985e-003 1.3526e-004 0.0000e+000 3 react 4.0000e-03 -1.4744 -2.6548 -3.8456 -9.1411 6.6802e-02 6.3317e-02 2.3190e+01 3.1797e-02 2.0985e-03 1.3526e-04 0.0000e+00
3 react 8.0000e-003 -1.4501 -2.3538 -3.5438 -8.8864 7.1083e-002 6.7376e-002 2.3190e+001 3.3621e-002 4.1973e-003 2.7100e-004 0.0000e+000 3 react 8.0000e-03 -1.4501 -2.3538 -3.5438 -8.8864 7.1083e-02 6.7376e-02 2.3190e+01 3.3621e-02 4.1973e-03 2.7100e-04 0.0000e+00
3 react 1.6000e-002 -1.4054 -2.0527 -3.2424 -8.6396 7.9647e-002 7.5493e-002 2.3190e+001 3.7269e-002 8.3949e-003 5.4244e-004 0.0000e+000 3 react 1.6000e-02 -1.4054 -2.0527 -3.2424 -8.6396 7.9647e-02 7.5493e-02 2.3190e+01 3.7269e-02 8.3949e-03 5.4244e-04 0.0000e+00
3 react 3.2000e-002 -1.3278 -1.7517 -2.9416 -8.4054 9.6771e-002 9.1724e-002 2.3190e+001 4.4564e-002 1.6789e-002 1.0843e-003 0.0000e+000 3 react 3.2000e-02 -1.3278 -1.7517 -2.9416 -8.4054 9.6771e-02 9.1724e-02 2.3190e+01 4.4564e-02 1.6789e-02 1.0843e-03 0.0000e+00
3 react 6.4000e-002 -1.2048 -1.4507 -2.6416 -8.1887 1.3101e-001 1.2417e-001 2.3190e+001 5.9149e-002 3.3575e-002 2.1633e-003 0.0000e+000 3 react 6.4000e-02 -1.2048 -1.4507 -2.6416 -8.1887 1.3101e-01 1.2417e-01 2.3190e+01 5.9149e-02 3.3575e-02 2.1633e-03 0.0000e+00
3 react 1.2500e-001 -1.0375 -1.1601 -2.3528 -7.9980 1.9622e-001 1.8599e-001 2.3190e+001 8.6937e-002 6.5561e-002 4.2062e-003 0.0000e+000 3 react 1.2500e-01 -1.0375 -1.1601 -2.3528 -7.9980 1.9622e-01 1.8599e-01 2.3190e+01 8.6937e-02 6.5561e-02 4.2062e-03 0.0000e+00
3 react 2.5000e-001 -0.8189 -0.8592 -2.0546 -7.8181 3.2976e-001 3.1256e-001 2.3190e+001 1.4384e-001 1.3108e-001 8.3591e-003 0.0000e+000 3 react 2.5000e-01 -0.8189 -0.8592 -2.0546 -7.8181 3.2976e-01 3.1256e-01 2.3190e+01 1.4384e-01 1.3108e-01 8.3591e-03 0.0000e+00
3 react 5.0000e-001 -0.5658 -0.5583 -1.7563 -7.6510 5.9669e-001 5.6557e-001 2.3190e+001 2.5759e-001 2.6209e-001 1.6614e-002 0.0000e+000 3 react 5.0000e-01 -0.5658 -0.5583 -1.7563 -7.6510 5.9669e-01 5.6557e-01 2.3190e+01 2.5759e-01 2.6209e-01 1.6614e-02 0.0000e+00
3 react 1.0000e+000 -0.2909 -0.2573 -1.4568 -7.4916 1.1305e+000 1.0715e+000 2.3190e+001 4.8506e-001 5.2408e-001 3.3109e-002 0.0000e+000 3 react 1.0000e+00 -0.2909 -0.2573 -1.4568 -7.4916 1.1305e+00 1.0715e+00 2.3190e+01 4.8506e-01 5.2408e-01 3.3109e-02 0.0000e+00

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sim state soln dist_x time step pH pe reaction temp Alk mu mass_H2O charge pct_err m_Zn+2 m_Hfo_wOZn+ m_Hfo_sOZn+ sim state soln dist_x time step pH pe reaction temp Alk mu mass_H2O charge pct_err m_Zn+2 m_Hfo_wOZn+ m_Hfo_sOZn+
5 react 1 -99 0 1 5 15.0946 -99 25.000 -1.21115e-005 0.0999426 0.999998 -0.000112296 -0.0561802 9.9667e-008 1.3194e-011 3.1498e-010 5 react 1 -99 0 1 5 15.0946 -99 25.000 -1.21115e-05 0.0999426 0.999998 -0.000112296 -0.0561802 9.9667e-08 1.3194e-11 3.1498e-10
6 react 1 -99 0 1 5.25 14.8089 -99 25.000 -6.80917e-006 0.0999508 0.999998 -9.67118e-005 -0.0483798 9.9093e-008 3.6118e-011 8.6216e-010 6 react 1 -99 0 1 5.25 14.8089 -99 25.000 -6.80917e-06 0.0999508 0.999998 -9.67118e-05 -0.0483798 9.9093e-08 3.6118e-11 8.6216e-10
7 react 1 -99 0 1 5.5 14.5232 -99 25.000 -3.82614e-006 0.0999584 0.999998 -8.21703e-005 -0.0411024 9.7567e-008 9.7221e-011 2.3200e-009 7 react 1 -99 0 1 5.5 14.5232 -99 25.000 -3.82614e-06 0.0999584 0.999998 -8.21703e-05 -0.0411024 9.7567e-08 9.7221e-11 2.3200e-09
8 react 1 -99 0 1 5.75 14.2374 -99 25.000 -2.14636e-006 0.0999652 0.999999 -6.89133e-005 -0.0344687 9.3657e-008 2.5418e-010 6.0611e-009 8 react 1 -99 0 1 5.75 14.2374 -99 25.000 -2.14636e-06 0.0999652 0.999999 -6.89133e-05 -0.0344687 9.3657e-08 2.5418e-10 6.0611e-09
9 react 1 -99 0 1 6 13.9517 -99 25.000 -1.19766e-006 0.0999713 0.999999 -5.70276e-005 -0.028522 8.4476e-008 6.2406e-010 1.4855e-008 9 react 1 -99 0 1 6 13.9517 -99 25.000 -1.19766e-06 0.0999713 0.999999 -5.70276e-05 -0.028522 8.4476e-08 6.2406e-10 1.4855e-08
10 react 1 -99 0 1 6.25 13.666 -99 25.000 -6.56922e-007 0.0999766 0.999999 -4.64966e-005 -0.0232538 6.6695e-008 1.3446e-009 3.1897e-008 10 react 1 -99 0 1 6.25 13.666 -99 25.000 -6.56922e-07 0.0999766 0.999999 -4.64966e-05 -0.0232538 6.6695e-08 1.3446e-09 3.1897e-08
11 react 1 -99 0 1 6.5 13.3803 -99 25.000 -3.39973e-007 0.0999813 0.999999 -3.72384e-005 -0.0186227 4.2322e-008 2.3406e-009 5.5265e-008 11 react 1 -99 0 1 6.5 13.3803 -99 25.000 -3.39973e-07 0.0999813 0.999999 -3.72384e-05 -0.0186227 4.2322e-08 2.3406e-09 5.5265e-08
12 react 1 -99 0 1 6.75 13.0946 -99 25.000 -1.38865e-007 0.0999854 0.999999 -2.91306e-005 -0.0145674 2.1052e-008 3.2179e-009 7.5665e-008 12 react 1 -99 0 1 6.75 13.0946 -99 25.000 -1.38865e-07 0.0999854 0.999999 -2.91306e-05 -0.0145674 2.1052e-08 3.2179e-09 7.5665e-08
13 react 1 -99 0 1 7 12.8089 -99 25.000 1.49123e-008 0.0999891 1 -2.20259e-005 -0.0110142 8.7494e-009 3.7289e-009 8.7472e-008 13 react 1 -99 0 1 7 12.8089 -99 25.000 1.49123e-08 0.0999891 1 -2.20259e-05 -0.0110142 8.7494e-09 3.7289e-09 8.7472e-08
14 react 1 -99 0 1 7.25 12.5232 -99 25.000 1.73752e-007 0.0999923 1 -1.57575e-005 -0.00787937 3.3000e-009 3.9564e-009 9.2708e-008 14 react 1 -99 0 1 7.25 12.5232 -99 25.000 1.73752e-07 0.0999923 1 -1.57575e-05 -0.00787937 3.3000e-09 3.9564e-09 9.2708e-08
15 react 1 -99 0 1 7.5 12.2374 -99 25.000 3.91767e-007 0.0999953 1 -1.01388e-005 -0.00506966 1.1903e-009 4.0447e-009 9.4740e-008 15 react 1 -99 0 1 7.5 12.2374 -99 25.000 3.91767e-07 0.0999953 1 -1.01388e-05 -0.00506966 1.1903e-09 4.0447e-09 9.4740e-08
16 react 1 -99 0 1 7.75 11.9517 -99 25.000 7.43222e-007 0.0999982 1 -4.96513e-006 -0.00248261 4.2114e-010 4.0771e-009 9.5483e-008 16 react 1 -99 0 1 7.75 11.9517 -99 25.000 7.43222e-07 0.0999982 1 -4.96513e-06 -0.00248261 4.2114e-10 4.0771e-09 9.5483e-08
17 react 1 -99 0 1 8 11.666 -99 25.000 1.34783e-006 0.100001 1 -1.78819e-008 -8.94082e-006 1.4799e-010 4.0887e-009 9.5749e-008 17 react 1 -99 0 1 8 11.666 -99 25.000 1.34783e-06 0.100001 1 -1.78819e-08 -8.94083e-06 1.4799e-10 4.0887e-09 9.5749e-08
20 react 2 -99 0 1 5 15.0946 -99 25.000 -1.21069e-005 0.100042 0.999998 -0.000112395 -0.0562298 9.9686e-005 1.3187e-008 2.9620e-007 20 react 2 -99 0 1 5 15.0946 -99 25.000 -1.21069e-05 0.100042 0.999998 -0.000112395 -0.0562298 9.9686e-05 1.3187e-08 2.9620e-07
21 react 2 -99 0 1 5.25 14.8089 -99 25.000 -6.8002e-006 0.10005 0.999998 -9.69284e-005 -0.0484882 9.9220e-005 3.6081e-008 7.3494e-007 21 react 2 -99 0 1 5.25 14.8089 -99 25.000 -6.8002e-06 0.10005 0.999998 -9.69284e-05 -0.0484882 9.9220e-05 3.6081e-08 7.3494e-07
22 react 2 -99 0 1 5.5 14.5231 -99 25.000 -3.80989e-006 0.100056 0.999998 -8.26283e-005 -0.0413315 9.8300e-005 9.7297e-008 1.5866e-006 22 react 2 -99 0 1 5.5 14.5231 -99 25.000 -3.80989e-06 0.100056 0.999998 -8.26283e-05 -0.0413315 9.8300e-05 9.7297e-08 1.5866e-06
23 react 2 -99 0 1 5.75 14.2374 -99 25.000 -2.1175e-006 0.100062 0.999999 -6.97307e-005 -0.0348777 9.6947e-005 2.5891e-007 2.7658e-006 23 react 2 -99 0 1 5.75 14.2374 -99 25.000 -2.1175e-06 0.100062 0.999999 -6.97307e-05 -0.0348777 9.6947e-05 2.5891e-07 2.7658e-06
24 react 2 -99 0 1 6 13.9517 -99 25.000 -1.14663e-006 0.100066 0.999999 -5.82348e-005 -0.029126 9.5437e-005 6.8302e-007 3.8297e-006 24 react 2 -99 0 1 6 13.9517 -99 25.000 -1.14663e-06 0.100066 0.999999 -5.82349e-05 -0.029126 9.5437e-05 6.8302e-07 3.8297e-06
25 react 2 -99 0 1 6.25 13.666 -99 25.000 -5.666e-007 0.100069 0.999999 -4.81332e-005 -0.0240725 9.3651e-005 1.7815e-006 4.4782e-006 25 react 2 -99 0 1 6.25 13.666 -99 25.000 -5.666e-07 0.100069 0.999999 -4.81332e-05 -0.0240725 9.3651e-05 1.7815e-06 4.4782e-06
26 react 2 -99 0 1 6.5 13.3803 -99 25.000 -1.80895e-007 0.100071 1 -3.9588e-005 -0.019798 9.0584e-005 4.4798e-006 4.7815e-006 26 react 2 -99 0 1 6.5 13.3803 -99 25.000 -1.80895e-07 0.100071 1 -3.9588e-05 -0.019798 9.0584e-05 4.4798e-06 4.7815e-06
27 react 2 -99 0 1 6.75 13.0945 -99 25.000 1.36074e-007 0.100068 1 -3.28951e-005 -0.0164503 8.4566e-005 1.0266e-005 4.9051e-006 27 react 2 -99 0 1 6.75 13.0945 -99 25.000 1.36074e-07 0.100068 1 -3.28951e-05 -0.0164503 8.4566e-05 1.0266e-05 4.9051e-06
28 react 2 -99 0 1 7 12.8089 -99 25.000 4.76212e-007 0.10006 1 -2.82078e-005 -0.0141059 7.4581e-005 2.0039e-005 4.9534e-006 28 react 2 -99 0 1 7 12.8089 -99 25.000 4.76212e-07 0.10006 1 -2.82078e-05 -0.0141059 7.4581e-05 2.0039e-05 4.9534e-06
29 react 2 -99 0 1 7.25 12.5231 -99 25.000 9.32114e-007 0.100049 1 -2.51381e-005 -0.0125706 6.1786e-005 3.2572e-005 4.9732e-006 29 react 2 -99 0 1 7.25 12.5232 -99 25.000 9.32114e-07 0.100049 1 -2.51381e-05 -0.0125706 6.1786e-05 3.2572e-05 4.9732e-06
30 react 2 -99 0 1 7.5 12.2374 -99 25.000 1.64293e-006 0.100037 1 -2.28968e-005 -0.0114497 4.8388e-005 4.5601e-005 4.9823e-006 30 react 2 -99 0 1 7.5 12.2374 -99 25.000 1.64293e-06 0.100037 1 -2.28968e-05 -0.0114497 4.8388e-05 4.5601e-05 4.9823e-06
31 react 2 -99 0 1 7.75 11.9515 -99 25.000 2.85258e-006 0.100026 1 -2.08203e-005 -0.0104111 3.5918e-005 5.7508e-005 4.9871e-006 31 react 2 -99 0 1 7.75 11.9514 -99 25.000 2.85258e-06 0.100026 1 -2.08203e-05 -0.0104111 3.5918e-05 5.7508e-05 4.9871e-06
32 react 2 -99 0 1 8 11.666 -99 25.000 4.98504e-006 0.100017 1 -1.85571e-005 -0.00927929 2.5127e-005 6.7404e-005 4.9897e-006 32 react 2 -99 0 1 8 11.666 -99 25.000 4.98504e-06 0.100017 1 -1.85571e-05 -0.00927929 2.5127e-05 6.7404e-05 4.9897e-06

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Days Fe(2) Fe(3) pH si_goethite Days Fe(2) Fe(3) pH si_goethite
0.0000e+000 1.0000e+002 0.0000e+000 7.0000e+000 -9.9990e+001 0.0000e+00 1.0000e+02 0.0000e+00 7.0000e+00 -9.9990e+01
1.1574e-003 9.8942e+001 1.0578e+000 6.0476e+000 6.6424e+000 1.1574e-03 9.8942e+01 1.0578e+00 6.0476e+00 6.6424e+00
5.7870e-003 9.8206e+001 1.7942e+000 5.8097e+000 6.6543e+000 5.7870e-03 9.8206e+01 1.7942e+00 5.8097e+00 6.6543e+00
4.1667e-002 9.6592e+001 3.4082e+000 5.5247e+000 6.6602e+000 4.1667e-02 9.6592e+01 3.4082e+00 5.5247e+00 6.6602e+00
1.6667e-001 9.4639e+001 5.3610e+000 5.3268e+000 6.6620e+000 1.6667e-01 9.4639e+01 5.3610e+00 5.3268e+00 6.6620e+00
4.1667e-001 9.2764e+001 7.2360e+000 5.1975e+000 6.6627e+000 4.1667e-01 9.2764e+01 7.2360e+00 5.1975e+00 6.6627e+00
1.0000e+000 9.0358e+001 9.6422e+000 5.0750e+000 6.6632e+000 1.0000e+00 9.0358e+01 9.6422e+00 5.0750e+00 6.6632e+00
2.0000e+000 8.7896e+001 1.2104e+001 4.9790e+000 6.6635e+000 2.0000e+00 8.7896e+01 1.2104e+01 4.9790e+00 6.6635e+00
4.0000e+000 8.4808e+001 1.5192e+001 4.8840e+000 6.6638e+000 4.0000e+00 8.4808e+01 1.5192e+01 4.8840e+00 6.6638e+00
6.0000e+000 8.2651e+001 1.7349e+001 4.8290e+000 6.6639e+000 6.0000e+00 8.2651e+01 1.7349e+01 4.8290e+00 6.6639e+00
8.0000e+000 8.0939e+001 1.9061e+001 4.7903e+000 6.6640e+000 8.0000e+00 8.0939e+01 1.9061e+01 4.7903e+00 6.6640e+00
1.0000e+001 7.9498e+001 2.0502e+001 4.7605e+000 6.6640e+000 1.0000e+01 7.9498e+01 2.0502e+01 4.7605e+00 6.6640e+00

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PRINT ; -reset false; -echo_input true; -user_print true PRINT ; -reset false; -echo_input true; -user_print true
# filter cells at tracer-in side... # filter cells at tracer-in side...
SOLUTION 4; -water 1.3963e-003 SOLUTION 4; -water 1.3963e-03
pH 7.6; pe 14 O2(g) -1.0; temp 23 pH 7.6; pe 14 O2(g) -1.0; temp 23
Na 240; K 1.61; Mg 16.9; Ca 25.8; Sr 0.505 Na 240; K 1.61; Mg 16.9; Ca 25.8; Sr 0.505
Cl 300; S(6) 14.1; Fe(2) 0.0; Alkalinity 0.476 Cl 300; S(6) 14.1; Fe(2) 0.0; Alkalinity 0.476
# cells in Opalinus Clay... # cells in Opalinus Clay...
SOLUTION 5; -water 7.7322e-005 SOLUTION 5; -water 7.7322e-05
pH 7.6; pe 14 O2(g) -1.0; temp 23 pH 7.6; pe 14 O2(g) -1.0; temp 23
Na 240; K 1.61; Mg 16.9; Ca 25.8; Sr 0.505 Na 240; K 1.61; Mg 16.9; Ca 25.8; Sr 0.505
Cl 300; S(6) 14.1; Fe(2) 0.0; Alkalinity 0.476 Cl 300; S(6) 14.1; Fe(2) 0.0; Alkalinity 0.476
SURFACE 5; -equil 5; SURFACE 5; -equil 5;
Su_ 5.0965e-004 5.2840e+005 6.6087e-004 Su_ 5.0965e-04 5.2840e+05 6.6087e-04
Su_ii 7.4371e-006 Su_ii 7.4371e-06
Su_fes 6.9841e-007 Su_fes 6.9841e-07
-Donnan 1.6711e-009 -Donnan 1.6711e-09
EXCHANGE 5; -equil 5; EXCHANGE 5; -equil 5;
X 6.2290e-004 X 6.2290e-04
SOLUTION 6; -water 9.5113e-005 SOLUTION 6; -water 9.5113e-05
pH 7.6; pe 14 O2(g) -1.0; temp 23 pH 7.6; pe 14 O2(g) -1.0; temp 23
Na 240; K 1.61; Mg 16.9; Ca 25.8; Sr 0.505 Na 240; K 1.61; Mg 16.9; Ca 25.8; Sr 0.505
Cl 300; S(6) 14.1; Fe(2) 0.0; Alkalinity 0.476 Cl 300; S(6) 14.1; Fe(2) 0.0; Alkalinity 0.476
SURFACE 6; -equil 6; SURFACE 6; -equil 6;
Su_ 6.2692e-004 5.2840e+005 8.1293e-004 Su_ 6.2692e-04 5.2840e+05 8.1293e-04
Su_ii 9.1484e-006 Su_ii 9.1484e-06
Su_fes 8.5911e-007 Su_fes 8.5911e-07
-Donnan 1.6711e-009 -Donnan 1.6711e-09
EXCHANGE 6; -equil 6; EXCHANGE 6; -equil 6;
X 7.6624e-004 X 7.6624e-04
SOLUTION 7; -water 1.1291e-004 SOLUTION 7; -water 1.1291e-04
pH 7.6; pe 14 O2(g) -1.0; temp 23 pH 7.6; pe 14 O2(g) -1.0; temp 23
Na 240; K 1.61; Mg 16.9; Ca 25.8; Sr 0.505 Na 240; K 1.61; Mg 16.9; Ca 25.8; Sr 0.505
Cl 300; S(6) 14.1; Fe(2) 0.0; Alkalinity 0.476 Cl 300; S(6) 14.1; Fe(2) 0.0; Alkalinity 0.476
SURFACE 7; -equil 7; SURFACE 7; -equil 7;
Su_ 7.4419e-004 5.2840e+005 9.6500e-004 Su_ 7.4419e-04 5.2840e+05 9.6500e-04
Su_ii 1.0860e-005 Su_ii 1.0860e-05
Su_fes 1.0198e-006 Su_fes 1.0198e-06
-Donnan 1.6711e-009 -Donnan 1.6711e-09
EXCHANGE 7; -equil 7; EXCHANGE 7; -equil 7;
X 9.0957e-004 X 9.0957e-04
SOLUTION 8; -water 1.3070e-004 SOLUTION 8; -water 1.3070e-04
pH 7.6; pe 14 O2(g) -1.0; temp 23 pH 7.6; pe 14 O2(g) -1.0; temp 23
Na 240; K 1.61; Mg 16.9; Ca 25.8; Sr 0.505 Na 240; K 1.61; Mg 16.9; Ca 25.8; Sr 0.505
Cl 300; S(6) 14.1; Fe(2) 0.0; Alkalinity 0.476 Cl 300; S(6) 14.1; Fe(2) 0.0; Alkalinity 0.476
SURFACE 8; -equil 8; SURFACE 8; -equil 8;
Su_ 8.6146e-004 5.2840e+005 1.1171e-003 Su_ 8.6146e-04 5.2840e+05 1.1171e-03
Su_ii 1.2571e-005 Su_ii 1.2571e-05
Su_fes 1.1805e-006 Su_fes 1.1805e-06
-Donnan 1.6711e-009 -Donnan 1.6711e-09
EXCHANGE 8; -equil 8; EXCHANGE 8; -equil 8;
X 1.0529e-003 X 1.0529e-03
SOLUTION 9; -water 1.4849e-004 SOLUTION 9; -water 1.4849e-04
pH 7.6; pe 14 O2(g) -1.0; temp 23 pH 7.6; pe 14 O2(g) -1.0; temp 23
Na 240; K 1.61; Mg 16.9; Ca 25.8; Sr 0.505 Na 240; K 1.61; Mg 16.9; Ca 25.8; Sr 0.505
Cl 300; S(6) 14.1; Fe(2) 0.0; Alkalinity 0.476 Cl 300; S(6) 14.1; Fe(2) 0.0; Alkalinity 0.476
SURFACE 9; -equil 9; SURFACE 9; -equil 9;
Su_ 9.7873e-004 5.2840e+005 1.2691e-003 Su_ 9.7873e-04 5.2840e+05 1.2691e-03
Su_ii 1.4282e-005 Su_ii 1.4282e-05
Su_fes 1.3412e-006 Su_fes 1.3412e-06
-Donnan 1.6711e-009 -Donnan 1.6711e-09
EXCHANGE 9; -equil 9; EXCHANGE 9; -equil 9;
X 1.1962e-003 X 1.1962e-03
SOLUTION 10; -water 1.6628e-004 SOLUTION 10; -water 1.6628e-04
pH 7.6; pe 14 O2(g) -1.0; temp 23 pH 7.6; pe 14 O2(g) -1.0; temp 23
Na 240; K 1.61; Mg 16.9; Ca 25.8; Sr 0.505 Na 240; K 1.61; Mg 16.9; Ca 25.8; Sr 0.505
Cl 300; S(6) 14.1; Fe(2) 0.0; Alkalinity 0.476 Cl 300; S(6) 14.1; Fe(2) 0.0; Alkalinity 0.476
SURFACE 10; -equil 10; SURFACE 10; -equil 10;
Su_ 1.0960e-003 5.2840e+005 1.4212e-003 Su_ 1.0960e-03 5.2840e+05 1.4212e-03
Su_ii 1.5994e-005 Su_ii 1.5994e-05
Su_fes 1.5019e-006 Su_fes 1.5019e-06
-Donnan 1.6711e-009 -Donnan 1.6711e-09
EXCHANGE 10; -equil 10; EXCHANGE 10; -equil 10;
X 1.3396e-003 X 1.3396e-03
SOLUTION 11; -water 1.8407e-004 SOLUTION 11; -water 1.8407e-04
pH 7.6; pe 14 O2(g) -1.0; temp 23 pH 7.6; pe 14 O2(g) -1.0; temp 23
Na 240; K 1.61; Mg 16.9; Ca 25.8; Sr 0.505 Na 240; K 1.61; Mg 16.9; Ca 25.8; Sr 0.505
Cl 300; S(6) 14.1; Fe(2) 0.0; Alkalinity 0.476 Cl 300; S(6) 14.1; Fe(2) 0.0; Alkalinity 0.476
SURFACE 11; -equil 11; SURFACE 11; -equil 11;
Su_ 1.2133e-003 5.2840e+005 1.5733e-003 Su_ 1.2133e-03 5.2840e+05 1.5733e-03
Su_ii 1.7705e-005 Su_ii 1.7705e-05
Su_fes 1.6626e-006 Su_fes 1.6626e-06
-Donnan 1.6711e-009 -Donnan 1.6711e-09
EXCHANGE 11; -equil 11; EXCHANGE 11; -equil 11;
X 1.4829e-003 X 1.4829e-03
SOLUTION 12; -water 2.0186e-004 SOLUTION 12; -water 2.0186e-04
pH 7.6; pe 14 O2(g) -1.0; temp 23 pH 7.6; pe 14 O2(g) -1.0; temp 23
Na 240; K 1.61; Mg 16.9; Ca 25.8; Sr 0.505 Na 240; K 1.61; Mg 16.9; Ca 25.8; Sr 0.505
Cl 300; S(6) 14.1; Fe(2) 0.0; Alkalinity 0.476 Cl 300; S(6) 14.1; Fe(2) 0.0; Alkalinity 0.476
SURFACE 12; -equil 12; SURFACE 12; -equil 12;
Su_ 1.3305e-003 5.2840e+005 1.7253e-003 Su_ 1.3305e-03 5.2840e+05 1.7253e-03
Su_ii 1.9416e-005 Su_ii 1.9416e-05
Su_fes 1.8233e-006 Su_fes 1.8233e-06
-Donnan 1.6711e-009 -Donnan 1.6711e-09
EXCHANGE 12; -equil 12; EXCHANGE 12; -equil 12;
X 1.6262e-003 X 1.6262e-03
SOLUTION 13; -water 2.1966e-004 SOLUTION 13; -water 2.1966e-04
pH 7.6; pe 14 O2(g) -1.0; temp 23 pH 7.6; pe 14 O2(g) -1.0; temp 23
Na 240; K 1.61; Mg 16.9; Ca 25.8; Sr 0.505 Na 240; K 1.61; Mg 16.9; Ca 25.8; Sr 0.505
Cl 300; S(6) 14.1; Fe(2) 0.0; Alkalinity 0.476 Cl 300; S(6) 14.1; Fe(2) 0.0; Alkalinity 0.476
SURFACE 13; -equil 13; SURFACE 13; -equil 13;
Su_ 1.4478e-003 5.2840e+005 1.8774e-003 Su_ 1.4478e-03 5.2840e+05 1.8774e-03
Su_ii 2.1127e-005 Su_ii 2.1127e-05
Su_fes 1.9840e-006 Su_fes 1.9840e-06
-Donnan 1.6711e-009 -Donnan 1.6711e-09
EXCHANGE 13; -equil 13; EXCHANGE 13; -equil 13;
X 1.7696e-003 X 1.7696e-03
SOLUTION 14; -water 2.3745e-004 SOLUTION 14; -water 2.3745e-04
pH 7.6; pe 14 O2(g) -1.0; temp 23 pH 7.6; pe 14 O2(g) -1.0; temp 23
Na 240; K 1.61; Mg 16.9; Ca 25.8; Sr 0.505 Na 240; K 1.61; Mg 16.9; Ca 25.8; Sr 0.505
Cl 300; S(6) 14.1; Fe(2) 0.0; Alkalinity 0.476 Cl 300; S(6) 14.1; Fe(2) 0.0; Alkalinity 0.476
SURFACE 14; -equil 14; SURFACE 14; -equil 14;
Su_ 1.5651e-003 5.2840e+005 2.0295e-003 Su_ 1.5651e-03 5.2840e+05 2.0295e-03
Su_ii 2.2839e-005 Su_ii 2.2839e-05
Su_fes 2.1448e-006 Su_fes 2.1448e-06
-Donnan 1.6711e-009 -Donnan 1.6711e-09
EXCHANGE 14; -equil 14; EXCHANGE 14; -equil 14;
X 1.9129e-003 X 1.9129e-03
SOLUTION 15; -water 2.5524e-004 SOLUTION 15; -water 2.5524e-04
pH 7.6; pe 14 O2(g) -1.0; temp 23 pH 7.6; pe 14 O2(g) -1.0; temp 23
Na 240; K 1.61; Mg 16.9; Ca 25.8; Sr 0.505 Na 240; K 1.61; Mg 16.9; Ca 25.8; Sr 0.505
Cl 300; S(6) 14.1; Fe(2) 0.0; Alkalinity 0.476 Cl 300; S(6) 14.1; Fe(2) 0.0; Alkalinity 0.476
SURFACE 15; -equil 15; SURFACE 15; -equil 15;
Su_ 1.6824e-003 5.2840e+005 2.1815e-003 Su_ 1.6824e-03 5.2840e+05 2.1815e-03
Su_ii 2.4550e-005 Su_ii 2.4550e-05
Su_fes 2.3055e-006 Su_fes 2.3055e-06
-Donnan 1.6711e-009 -Donnan 1.6711e-09
EXCHANGE 15; -equil 15; EXCHANGE 15; -equil 15;
X 2.0562e-003 X 2.0562e-03
# tracer-out filter cells... # tracer-out filter cells...
SOLUTION 16; -water 5.0266e-003 SOLUTION 16; -water 5.0266e-03
pH 7.6; pe 14 O2(g) -1.0; temp 23 pH 7.6; pe 14 O2(g) -1.0; temp 23
Na 240; K 1.61; Mg 16.9; Ca 25.8; Sr 0.505 Na 240; K 1.61; Mg 16.9; Ca 25.8; Sr 0.505
Cl 300; S(6) 14.1; Fe(2) 0.0; Alkalinity 0.476 Cl 300; S(6) 14.1; Fe(2) 0.0; Alkalinity 0.476
# outside solution... # outside solution...
SOLUTION 17; -water 2.0000e-001 SOLUTION 17; -water 2.0000e-01
pH 7.6; pe 14 O2(g) -1.0; temp 23 pH 7.6; pe 14 O2(g) -1.0; temp 23
Na 240; K 1.61; Mg 16.9; Ca 25.8; Sr 0.505 Na 240; K 1.61; Mg 16.9; Ca 25.8; Sr 0.505
Cl 300; S(6) 14.1; Fe(2) 0.0; Alkalinity 0.476 Cl 300; S(6) 14.1; Fe(2) 0.0; Alkalinity 0.476
@ -169,27 +169,27 @@ A_Hto 0 0
END END
# mixing factors... # mixing factors...
MIX 3; 4 6.6932e-004 MIX 3; 4 6.6932e-04
MIX 4; 5 1.9640e-004 MIX 4; 5 1.9640e-04
MIX 5; 6 1.5725e-004 MIX 5; 6 1.5725e-04
MIX 6; 7 1.8971e-004 MIX 6; 7 1.8971e-04
MIX 7; 8 2.2216e-004 MIX 7; 8 2.2216e-04
MIX 8; 9 2.5461e-004 MIX 8; 9 2.5461e-04
MIX 9; 10 2.8706e-004 MIX 9; 10 2.8706e-04
MIX 10; 11 3.1951e-004 MIX 10; 11 3.1951e-04
MIX 11; 12 3.5196e-004 MIX 11; 12 3.5196e-04
MIX 12; 13 3.8441e-004 MIX 12; 13 3.8441e-04
MIX 13; 14 4.1686e-004 MIX 13; 14 4.1686e-04
MIX 14; 15 4.4931e-004 MIX 14; 15 4.4931e-04
MIX 15; 16 7.7653e-004 MIX 15; 16 7.7653e-04
MIX 16; 17 4.2533e-003 MIX 16; 17 4.2533e-03
END END
TRANSPORT TRANSPORT
-warnings true -warnings true
-shifts 1120 -shifts 1120
-flow diff; -cells 1; -bcon 1 2; -stag 15 -flow diff; -cells 1; -bcon 1 2; -stag 15
-time 1.5429e+003 -time 1.5429e+03
-multi_D true 2.5000e-009 1.5900e-001 0.0 9.9000e-001 -multi_D true 2.5000e-09 1.5900e-01 0.0 9.9000e-01
-interlayer_D false 0.04 0.0 750 -interlayer_D false 0.04 0.0 750
-punch_fr 14; -punch_c 17 -punch_fr 14; -punch_c 17
USER_GRAPH 1 Example 21 USER_GRAPH 1 Example 21
@ -201,12 +201,12 @@ USER_GRAPH 1 Example 21
-plot_concentration_vs time -plot_concentration_vs time
10 days = total_time / (3600 * 24) 10 days = total_time / (3600 * 24)
20 IF INSTR("Hto", "C") THEN mm = 1 ELSE mm = 1e-3 20 IF INSTR("Hto", "C") THEN mm = 1 ELSE mm = 1e-3
30 s1 = 1.0000e+015 * mm 30 s1 = 1.0000e+15 * mm
40 s2 = 1e+011 * mm 40 s2 = 1e+11 * mm
50 a = equi("A_Hto") * s2 50 a = equi("A_Hto") * s2
60 IF get(1) = 0 AND total_time > 0 THEN put(total_time, 1) 60 IF get(1) = 0 AND total_time > 0 THEN put(total_time, 1)
70 dt = get(1) 70 dt = get(1)
80 plot_xy days - dt / (2 * 3600 * 24), (a - get(2)) * s1 / s2 / dt / 8.2988e-003, color = Green, symbol = None 80 plot_xy days - dt / (2 * 3600 * 24), (a - get(2)) * s1 / s2 / dt / 8.2988e-03, color = Green, symbol = None
90 put(a, 2) 90 put(a, 2)
100 plot_xy days, equi("A_Hto") * s2, y_axis = 2, color = Red, symbol = None 100 plot_xy days, equi("A_Hto") * s2, y_axis = 2, color = Red, symbol = None
END END
@ -217,34 +217,34 @@ USER_GRAPH 1; -detach
USER_GRAPH 5 Example 21 USER_GRAPH 5 Example 21
-chart_title "Hto Concentration Profile: Filter1 | Clay | Filter2" -chart_title "Hto Concentration Profile: Filter1 | Clay | Filter2"
-axis_scale x_axis 0 2.2220e+001 -axis_scale x_axis 0 2.2220e+01
-axis_scale y_axis 0 1.2000e-006 -axis_scale y_axis 0 1.2000e-06
-axis_scale sy_axis 0 1.2000e-006 -axis_scale sy_axis 0 1.2000e-06
-axis_titles "DISTANCE, IN MILLIMETERS" "FREE PORE-WATER MOLALITY" "TOTAL MOLALITY" -axis_titles "DISTANCE, IN MILLIMETERS" "FREE PORE-WATER MOLALITY" "TOTAL MOLALITY"
-headings Hto_free Hto_tot -headings Hto_free Hto_tot
-plot_concentration_vs x -plot_concentration_vs x
-initial_solutions true -initial_solutions true
10 IF cell_no = 3 THEN xval = 0 ELSE xval = get(14) 10 IF cell_no = 3 THEN xval = 0 ELSE xval = get(14)
20 IF (1 = 0 OR cell_no > 4) THEN GOTO 60 20 IF (1 = 0 OR cell_no > 4) THEN GOTO 60
30 IF (cell_no = 4) THEN xval = xval + 0.5 * 1.8000e-003 30 IF (cell_no = 4) THEN xval = xval + 0.5 * 1.8000e-03
40 IF (cell_no > 4 AND cell_no < 5) THEN xval = xval + 1.8000e-003 40 IF (cell_no > 4 AND cell_no < 5) THEN xval = xval + 1.8000e-03
50 GOTO 200 50 GOTO 200
60 IF (cell_no = 5) THEN xval = xval + 0.5 * 1.8000e-003 + 0.5 * 1.7109e-003 60 IF (cell_no = 5) THEN xval = xval + 0.5 * 1.8000e-03 + 0.5 * 1.7109e-03
70 IF (cell_no > 5 AND cell_no < 16) THEN xval = xval + 1.7109e-003 ELSE GOTO 90 70 IF (cell_no > 5 AND cell_no < 16) THEN xval = xval + 1.7109e-03 ELSE GOTO 90
80 GOTO 200 80 GOTO 200
90 IF (cell_no = 16) THEN xval = xval + 0.5 * 1.7109e-003 + 0.5 * 1.6000e-003 90 IF (cell_no = 16) THEN xval = xval + 0.5 * 1.7109e-03 + 0.5 * 1.6000e-03
100 IF (cell_no > 16 AND cell_no <= 16) THEN xval = xval + 1.6000e-003 100 IF (cell_no > 16 AND cell_no <= 16) THEN xval = xval + 1.6000e-03
110 IF (cell_no = 17) THEN xval = xval + 0.5 * 1.6000e-003 110 IF (cell_no = 17) THEN xval = xval + 0.5 * 1.6000e-03
200 y1 = TOT("Hto") 200 y1 = TOT("Hto")
210 plot_xy xval * 1e3, y1, color = Blue, symbol = Plus 210 plot_xy xval * 1e3, y1, color = Blue, symbol = Plus
220 IF cell_no = 3 THEN put(y1, 15) 220 IF cell_no = 3 THEN put(y1, 15)
230 IF (cell_no < 5 OR cell_no > 15) THEN GOTO 400 230 IF (cell_no < 5 OR cell_no > 15) THEN GOTO 400
240 y2 = SYS("Hto") / (tot("water") + edl("water")) 240 y2 = SYS("Hto") / (tot("water") + edl("water"))
250 REM y2 = y2 / 1.4281e+001# conc / kg solid 250 REM y2 = y2 / 1.4281e+01# conc / kg solid
260 plot_xy xval * 1e3, y2, symbol = Circle, y_axis = 2 260 plot_xy xval * 1e3, y2, symbol = Circle, y_axis = 2
270 IF (cell_no > 6) THEN GOTO 400 270 IF (cell_no > 6) THEN GOTO 400
280 IF 1 THEN plot_xy 1.8000e+000, get(15), color = Black, symbol = None 280 IF 1 THEN plot_xy 1.8000e+00, get(15), color = Black, symbol = None
290 IF 1 THEN plot_xy 2.0620e+001, get(15), color = Black, symbol = None 290 IF 1 THEN plot_xy 2.0620e+01, get(15), color = Black, symbol = None
300 put(0, 15) 300 put(0, 15)
400 put(xval, 14) 400 put(xval, 14)
END END