max/iphreeqc
1
0
Fork 0
mirror of https://git.gfz-potsdam.de/naaice/iphreeqc.git synced 2025-12-15 16:18:22 +01:00
Code Issues Packages Projects Releases Wiki Activity

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
Show Stats Download Patch File Download Diff File Expand all files Collapse all files

18
Zn1e_4
View File

@ -7,17 +7,17 @@ END
USE solution 2; USE surface 1
EQUILIBRIUM_PHASES 1
Fix_H+ -5.2500e+000 NaOH 10.0
Fix_H+ -5.2500e+00 NaOH 10.0
END
USE solution 2; USE surface 1
EQUILIBRIUM_PHASES 1
Fix_H+ -5.5000e+000 NaOH 10.0
Fix_H+ -5.5000e+00 NaOH 10.0
END
USE solution 2; USE surface 1
EQUILIBRIUM_PHASES 1
Fix_H+ -5.7500e+000 NaOH 10.0
Fix_H+ -5.7500e+00 NaOH 10.0
END
USE solution 2; USE surface 1
@ -27,17 +27,17 @@ END
USE solution 2; USE surface 1
EQUILIBRIUM_PHASES 1
Fix_H+ -6.2500e+000 NaOH 10.0
Fix_H+ -6.2500e+00 NaOH 10.0
END
USE solution 2; USE surface 1
EQUILIBRIUM_PHASES 1
Fix_H+ -6.5000e+000 NaOH 10.0
Fix_H+ -6.5000e+00 NaOH 10.0
END
USE solution 2; USE surface 1
EQUILIBRIUM_PHASES 1
Fix_H+ -6.7500e+000 NaOH 10.0
Fix_H+ -6.7500e+00 NaOH 10.0
END
USE solution 2; USE surface 1
@ -47,17 +47,17 @@ END
USE solution 2; USE surface 1
EQUILIBRIUM_PHASES 1
Fix_H+ -7.2500e+000 NaOH 10.0
Fix_H+ -7.2500e+00 NaOH 10.0
END
USE solution 2; USE surface 1
EQUILIBRIUM_PHASES 1
Fix_H+ -7.5000e+000 NaOH 10.0
Fix_H+ -7.5000e+00 NaOH 10.0
END
USE solution 2; USE surface 1
EQUILIBRIUM_PHASES 1
Fix_H+ -7.7500e+000 NaOH 10.0
Fix_H+ -7.7500e+00 NaOH 10.0
END
USE solution 2; USE surface 1

18
Zn1e_7
View File

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

302
ex1.out
View File

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

10032
ex10.out
View File

File diff suppressed because it is too large Load Diff

1240
ex10.sel
View File

File diff suppressed because it is too large Load Diff

181
ex11.out
View File

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

200
ex11adv.sel
View File

@ -1,101 +1,101 @@
step Na Cl K Ca Pore_vol
1 1.0000e-003 0.0000e+000 2.0000e-004 0.0000e+000 3.7500e-002
2 1.0000e-003 0.0000e+000 2.0000e-004 0.0000e+000 6.2500e-002
3 1.0000e-003 0.0000e+000 2.0000e-004 0.0000e+000 8.7500e-002
4 1.0000e-003 0.0000e+000 2.0000e-004 0.0000e+000 1.1250e-001
5 1.0000e-003 0.0000e+000 2.0000e-004 0.0000e+000 1.3750e-001
6 1.0000e-003 0.0000e+000 2.0000e-004 0.0000e+000 1.6250e-001
7 1.0000e-003 0.0000e+000 2.0000e-004 0.0000e+000 1.8750e-001
8 1.0000e-003 0.0000e+000 2.0000e-004 0.0000e+000 2.1250e-001
9 1.0000e-003 0.0000e+000 2.0000e-004 0.0000e+000 2.3750e-001
10 1.0000e-003 0.0000e+000 2.0000e-004 0.0000e+000 2.6250e-001
11 1.0000e-003 0.0000e+000 2.0000e-004 0.0000e+000 2.8750e-001
12 1.0000e-003 0.0000e+000 2.0000e-004 0.0000e+000 3.1250e-001
13 1.0000e-003 0.0000e+000 2.0000e-004 0.0000e+000 3.3750e-001
14 1.0000e-003 0.0000e+000 2.0000e-004 0.0000e+000 3.6250e-001
15 1.0000e-003 0.0000e+000 2.0000e-004 0.0000e+000 3.8750e-001
16 1.0000e-003 0.0000e+000 2.0000e-004 0.0000e+000 4.1250e-001
17 1.0000e-003 0.0000e+000 2.0000e-004 0.0000e+000 4.3750e-001
18 1.0000e-003 0.0000e+000 2.0000e-004 0.0000e+000 4.6250e-001
19 1.0000e-003 0.0000e+000 2.0000e-004 0.0000e+000 4.8750e-001
20 1.0000e-003 0.0000e+000 2.0000e-004 0.0000e+000 5.1250e-001
21 1.0000e-003 0.0000e+000 2.0000e-004 0.0000e+000 5.3750e-001
22 1.0000e-003 0.0000e+000 2.0000e-004 0.0000e+000 5.6250e-001
23 1.0000e-003 0.0000e+000 2.0000e-004 0.0000e+000 5.8750e-001
24 1.0000e-003 0.0000e+000 2.0000e-004 0.0000e+000 6.1250e-001
25 1.0000e-003 0.0000e+000 2.0000e-004 0.0000e+000 6.3750e-001
26 1.0000e-003 0.0000e+000 2.0000e-004 0.0000e+000 6.6250e-001
27 1.0000e-003 0.0000e+000 2.0000e-004 0.0000e+000 6.8750e-001
28 1.0000e-003 0.0000e+000 2.0000e-004 0.0000e+000 7.1250e-001
29 1.0000e-003 0.0000e+000 2.0000e-004 0.0000e+000 7.3750e-001
30 1.0000e-003 0.0000e+000 2.0000e-004 0.0000e+000 7.6250e-001
31 1.0000e-003 0.0000e+000 2.0000e-004 0.0000e+000 7.8750e-001
32 1.0000e-003 0.0000e+000 2.0000e-004 0.0000e+000 8.1250e-001
33 1.0000e-003 0.0000e+000 2.0000e-004 0.0000e+000 8.3750e-001
34 1.0000e-003 0.0000e+000 2.0000e-004 0.0000e+000 8.6250e-001
35 1.0000e-003 0.0000e+000 2.0000e-004 0.0000e+000 8.8750e-001
36 1.0000e-003 0.0000e+000 2.0000e-004 0.0000e+000 9.1250e-001
37 1.0000e-003 0.0000e+000 2.0000e-004 0.0000e+000 9.3750e-001
38 1.0000e-003 0.0000e+000 2.0000e-004 0.0000e+000 9.6250e-001
39 1.0000e-003 0.0000e+000 2.0000e-004 0.0000e+000 9.8750e-001
40 1.0000e-003 1.2000e-003 2.0000e-004 0.0000e+000 1.0125e+000
41 1.0000e-003 1.2000e-003 2.0000e-004 0.0000e+000 1.0375e+000
42 1.0000e-003 1.2000e-003 2.0000e-004 0.0000e+000 1.0625e+000
43 1.0000e-003 1.2000e-003 2.0000e-004 0.0000e+000 1.0875e+000
44 1.0000e-003 1.2000e-003 2.0000e-004 0.0000e+000 1.1125e+000
45 1.0000e-003 1.2000e-003 2.0000e-004 0.0000e+000 1.1375e+000
46 1.0000e-003 1.2000e-003 2.0000e-004 0.0000e+000 1.1625e+000
47 1.0000e-003 1.2000e-003 2.0000e-004 0.0000e+000 1.1875e+000
48 1.0000e-003 1.2000e-003 2.0000e-004 0.0000e+000 1.2125e+000
49 1.0000e-003 1.2000e-003 2.0000e-004 0.0000e+000 1.2375e+000
50 1.0000e-003 1.2000e-003 2.0000e-004 0.0000e+000 1.2625e+000
51 1.0000e-003 1.2000e-003 2.0000e-004 0.0000e+000 1.2875e+000
52 1.0000e-003 1.2000e-003 2.0000e-004 0.0000e+000 1.3125e+000
53 1.0000e-003 1.2000e-003 2.0000e-004 0.0000e+000 1.3375e+000
54 9.9998e-004 1.2000e-003 2.0002e-004 0.0000e+000 1.3625e+000
55 9.9993e-004 1.2000e-003 2.0007e-004 0.0000e+000 1.3875e+000
56 9.9969e-004 1.2000e-003 2.0031e-004 0.0000e+000 1.4125e+000
57 9.9860e-004 1.2000e-003 2.0140e-004 0.0000e+000 1.4375e+000
58 9.9376e-004 1.2000e-003 2.0624e-004 0.0000e+000 1.4625e+000
59 9.7266e-004 1.2000e-003 2.2734e-004 0.0000e+000 1.4875e+000
60 8.8947e-004 1.2000e-003 3.1053e-004 0.0000e+000 1.5125e+000
61 6.5396e-004 1.2000e-003 5.4604e-004 0.0000e+000 1.5375e+000
62 3.1876e-004 1.2000e-003 8.8124e-004 0.0000e+000 1.5625e+000
63 1.0663e-004 1.2000e-003 1.0934e-003 0.0000e+000 1.5875e+000
64 2.9829e-005 1.2000e-003 1.1702e-003 0.0000e+000 1.6125e+000
65 7.8763e-006 1.2000e-003 1.1921e-003 1.2216e-027 1.6375e+000
66 2.0460e-006 1.2000e-003 1.1980e-003 1.8112e-025 1.6625e+000
67 5.2878e-007 1.2000e-003 1.1995e-003 2.6557e-023 1.6875e+000
68 1.3629e-007 1.2000e-003 1.1999e-003 3.9376e-021 1.7125e+000
69 3.5021e-008 1.2000e-003 1.2000e-003 5.8912e-019 1.7375e+000
70 8.9558e-009 1.2000e-003 1.2000e-003 8.8181e-017 1.7625e+000
71 2.2719e-009 1.2000e-003 1.2000e-003 1.3080e-014 1.7875e+000
72 5.6835e-010 1.2000e-003 1.2000e-003 1.9126e-012 1.8125e+000
73 1.3869e-010 1.2000e-003 1.2000e-003 2.7576e-010 1.8375e+000
74 3.2281e-011 1.2000e-003 1.1999e-003 3.9374e-008 1.8625e+000
75 6.7673e-012 1.2000e-003 1.1890e-003 5.4946e-006 1.8875e+000
76 8.0510e-013 1.2000e-003 7.0494e-004 2.4753e-004 1.9125e+000
77 2.1968e-014 1.2000e-003 9.6079e-005 5.5196e-004 1.9375e+000
78 4.1771e-016 1.2000e-003 9.1269e-006 5.9544e-004 1.9625e+000
79 7.6748e-018 1.2000e-003 8.3782e-007 5.9958e-004 1.9875e+000
80 1.4057e-019 1.2000e-003 7.6671e-008 5.9996e-004 2.0125e+000
81 2.5740e-021 1.2000e-003 7.0147e-009 6.0000e-004 2.0375e+000
82 4.7052e-023 1.2000e-003 6.4179e-010 6.0000e-004 2.0625e+000
83 8.2642e-025 1.2000e-003 5.8721e-011 6.0000e-004 2.0875e+000
84 0.0000e+000 1.2000e-003 5.3731e-012 6.0000e-004 2.1125e+000
85 0.0000e+000 1.2000e-003 4.9168e-013 6.0000e-004 2.1375e+000
86 0.0000e+000 1.2000e-003 4.4995e-014 6.0000e-004 2.1625e+000
87 0.0000e+000 1.2000e-003 4.1178e-015 6.0000e-004 2.1875e+000
88 0.0000e+000 1.2000e-003 3.7688e-016 6.0000e-004 2.2125e+000
89 0.0000e+000 1.2000e-003 3.4497e-017 6.0000e-004 2.2375e+000
90 0.0000e+000 1.2000e-003 3.1577e-018 6.0000e-004 2.2625e+000
91 0.0000e+000 1.2000e-003 2.8907e-019 6.0000e-004 2.2875e+000
92 0.0000e+000 1.2000e-003 2.6465e-020 6.0000e-004 2.3125e+000
93 0.0000e+000 1.2000e-003 2.4231e-021 6.0000e-004 2.3375e+000
94 0.0000e+000 1.2000e-003 2.2183e-022 6.0000e-004 2.3625e+000
95 0.0000e+000 1.2000e-003 2.0287e-023 6.0000e-004 2.3875e+000
96 0.0000e+000 1.2000e-003 1.8364e-024 6.0000e-004 2.4125e+000
97 0.0000e+000 1.2000e-003 1.5102e-025 6.0000e-004 2.4375e+000
98 0.0000e+000 1.2000e-003 0.0000e+000 6.0000e-004 2.4625e+000
99 0.0000e+000 1.2000e-003 0.0000e+000 6.0000e-004 2.4875e+000
100 0.0000e+000 1.2000e-003 0.0000e+000 6.0000e-004 2.5125e+000
1 1.0000e-03 0.0000e+00 2.0000e-04 0.0000e+00 3.7500e-02
2 1.0000e-03 0.0000e+00 2.0000e-04 0.0000e+00 6.2500e-02
3 1.0000e-03 0.0000e+00 2.0000e-04 0.0000e+00 8.7500e-02
4 1.0000e-03 0.0000e+00 2.0000e-04 0.0000e+00 1.1250e-01
5 1.0000e-03 0.0000e+00 2.0000e-04 0.0000e+00 1.3750e-01
6 1.0000e-03 0.0000e+00 2.0000e-04 0.0000e+00 1.6250e-01
7 1.0000e-03 0.0000e+00 2.0000e-04 0.0000e+00 1.8750e-01
8 1.0000e-03 0.0000e+00 2.0000e-04 0.0000e+00 2.1250e-01
9 1.0000e-03 0.0000e+00 2.0000e-04 0.0000e+00 2.3750e-01
10 1.0000e-03 0.0000e+00 2.0000e-04 0.0000e+00 2.6250e-01
11 1.0000e-03 0.0000e+00 2.0000e-04 0.0000e+00 2.8750e-01
12 1.0000e-03 0.0000e+00 2.0000e-04 0.0000e+00 3.1250e-01
13 1.0000e-03 0.0000e+00 2.0000e-04 0.0000e+00 3.3750e-01
14 1.0000e-03 0.0000e+00 2.0000e-04 0.0000e+00 3.6250e-01
15 1.0000e-03 0.0000e+00 2.0000e-04 0.0000e+00 3.8750e-01
16 1.0000e-03 0.0000e+00 2.0000e-04 0.0000e+00 4.1250e-01
17 1.0000e-03 0.0000e+00 2.0000e-04 0.0000e+00 4.3750e-01
18 1.0000e-03 0.0000e+00 2.0000e-04 0.0000e+00 4.6250e-01
19 1.0000e-03 0.0000e+00 2.0000e-04 0.0000e+00 4.8750e-01
20 1.0000e-03 0.0000e+00 2.0000e-04 0.0000e+00 5.1250e-01
21 1.0000e-03 0.0000e+00 2.0000e-04 0.0000e+00 5.3750e-01
22 1.0000e-03 0.0000e+00 2.0000e-04 0.0000e+00 5.6250e-01
23 1.0000e-03 0.0000e+00 2.0000e-04 0.0000e+00 5.8750e-01
24 1.0000e-03 0.0000e+00 2.0000e-04 0.0000e+00 6.1250e-01
25 1.0000e-03 0.0000e+00 2.0000e-04 0.0000e+00 6.3750e-01
26 1.0000e-03 0.0000e+00 2.0000e-04 0.0000e+00 6.6250e-01
27 1.0000e-03 0.0000e+00 2.0000e-04 0.0000e+00 6.8750e-01
28 1.0000e-03 0.0000e+00 2.0000e-04 0.0000e+00 7.1250e-01
29 1.0000e-03 0.0000e+00 2.0000e-04 0.0000e+00 7.3750e-01
30 1.0000e-03 0.0000e+00 2.0000e-04 0.0000e+00 7.6250e-01
31 1.0000e-03 0.0000e+00 2.0000e-04 0.0000e+00 7.8750e-01
32 1.0000e-03 0.0000e+00 2.0000e-04 0.0000e+00 8.1250e-01
33 1.0000e-03 0.0000e+00 2.0000e-04 0.0000e+00 8.3750e-01
34 1.0000e-03 0.0000e+00 2.0000e-04 0.0000e+00 8.6250e-01
35 1.0000e-03 0.0000e+00 2.0000e-04 0.0000e+00 8.8750e-01
36 1.0000e-03 0.0000e+00 2.0000e-04 0.0000e+00 9.1250e-01
37 1.0000e-03 0.0000e+00 2.0000e-04 0.0000e+00 9.3750e-01
38 1.0000e-03 0.0000e+00 2.0000e-04 0.0000e+00 9.6250e-01
39 1.0000e-03 0.0000e+00 2.0000e-04 0.0000e+00 9.8750e-01
40 1.0000e-03 1.2000e-03 2.0000e-04 0.0000e+00 1.0125e+00
41 1.0000e-03 1.2000e-03 2.0000e-04 0.0000e+00 1.0375e+00
42 1.0000e-03 1.2000e-03 2.0000e-04 0.0000e+00 1.0625e+00
43 1.0000e-03 1.2000e-03 2.0000e-04 0.0000e+00 1.0875e+00
44 1.0000e-03 1.2000e-03 2.0000e-04 0.0000e+00 1.1125e+00
45 1.0000e-03 1.2000e-03 2.0000e-04 0.0000e+00 1.1375e+00
46 1.0000e-03 1.2000e-03 2.0000e-04 0.0000e+00 1.1625e+00
47 1.0000e-03 1.2000e-03 2.0000e-04 0.0000e+00 1.1875e+00
48 1.0000e-03 1.2000e-03 2.0000e-04 0.0000e+00 1.2125e+00
49 1.0000e-03 1.2000e-03 2.0000e-04 0.0000e+00 1.2375e+00
50 1.0000e-03 1.2000e-03 2.0000e-04 0.0000e+00 1.2625e+00
51 1.0000e-03 1.2000e-03 2.0000e-04 0.0000e+00 1.2875e+00
52 1.0000e-03 1.2000e-03 2.0000e-04 0.0000e+00 1.3125e+00
53 1.0000e-03 1.2000e-03 2.0000e-04 0.0000e+00 1.3375e+00
54 9.9998e-04 1.2000e-03 2.0002e-04 0.0000e+00 1.3625e+00
55 9.9993e-04 1.2000e-03 2.0007e-04 0.0000e+00 1.3875e+00
56 9.9969e-04 1.2000e-03 2.0031e-04 0.0000e+00 1.4125e+00
57 9.9860e-04 1.2000e-03 2.0140e-04 0.0000e+00 1.4375e+00
58 9.9376e-04 1.2000e-03 2.0624e-04 0.0000e+00 1.4625e+00
59 9.7266e-04 1.2000e-03 2.2734e-04 0.0000e+00 1.4875e+00
60 8.8947e-04 1.2000e-03 3.1053e-04 0.0000e+00 1.5125e+00
61 6.5396e-04 1.2000e-03 5.4604e-04 0.0000e+00 1.5375e+00
62 3.1876e-04 1.2000e-03 8.8124e-04 0.0000e+00 1.5625e+00
63 1.0663e-04 1.2000e-03 1.0934e-03 0.0000e+00 1.5875e+00
64 2.9829e-05 1.2000e-03 1.1702e-03 0.0000e+00 1.6125e+00
65 7.8763e-06 1.2000e-03 1.1921e-03 1.2216e-27 1.6375e+00
66 2.0460e-06 1.2000e-03 1.1980e-03 1.8112e-25 1.6625e+00
67 5.2878e-07 1.2000e-03 1.1995e-03 2.6557e-23 1.6875e+00
68 1.3629e-07 1.2000e-03 1.1999e-03 3.9376e-21 1.7125e+00
69 3.5021e-08 1.2000e-03 1.2000e-03 5.8912e-19 1.7375e+00
70 8.9558e-09 1.2000e-03 1.2000e-03 8.8181e-17 1.7625e+00
71 2.2719e-09 1.2000e-03 1.2000e-03 1.3080e-14 1.7875e+00
72 5.6835e-10 1.2000e-03 1.2000e-03 1.9126e-12 1.8125e+00
73 1.3869e-10 1.2000e-03 1.2000e-03 2.7576e-10 1.8375e+00
74 3.2281e-11 1.2000e-03 1.1999e-03 3.9374e-08 1.8625e+00
75 6.7673e-12 1.2000e-03 1.1890e-03 5.4946e-06 1.8875e+00
76 8.0510e-13 1.2000e-03 7.0494e-04 2.4753e-04 1.9125e+00
77 2.1968e-14 1.2000e-03 9.6079e-05 5.5196e-04 1.9375e+00
78 4.1771e-16 1.2000e-03 9.1269e-06 5.9544e-04 1.9625e+00
79 7.6748e-18 1.2000e-03 8.3782e-07 5.9958e-04 1.9875e+00
80 1.4057e-19 1.2000e-03 7.6671e-08 5.9996e-04 2.0125e+00
81 2.5740e-21 1.2000e-03 7.0147e-09 6.0000e-04 2.0375e+00
82 4.7052e-23 1.2000e-03 6.4179e-10 6.0000e-04 2.0625e+00
83 8.2642e-25 1.2000e-03 5.8721e-11 6.0000e-04 2.0875e+00
84 0.0000e+00 1.2000e-03 5.3731e-12 6.0000e-04 2.1125e+00
85 0.0000e+00 1.2000e-03 4.9168e-13 6.0000e-04 2.1375e+00
86 0.0000e+00 1.2000e-03 4.4995e-14 6.0000e-04 2.1625e+00
87 0.0000e+00 1.2000e-03 4.1178e-15 6.0000e-04 2.1875e+00
88 0.0000e+00 1.2000e-03 3.7688e-16 6.0000e-04 2.2125e+00
89 0.0000e+00 1.2000e-03 3.4497e-17 6.0000e-04 2.2375e+00
90 0.0000e+00 1.2000e-03 3.1577e-18 6.0000e-04 2.2625e+00
91 0.0000e+00 1.2000e-03 2.8907e-19 6.0000e-04 2.2875e+00
92 0.0000e+00 1.2000e-03 2.6465e-20 6.0000e-04 2.3125e+00
93 0.0000e+00 1.2000e-03 2.4231e-21 6.0000e-04 2.3375e+00
94 0.0000e+00 1.2000e-03 2.2183e-22 6.0000e-04 2.3625e+00
95 0.0000e+00 1.2000e-03 2.0287e-23 6.0000e-04 2.3875e+00
96 0.0000e+00 1.2000e-03 1.8364e-24 6.0000e-04 2.4125e+00
97 0.0000e+00 1.2000e-03 1.5102e-25 6.0000e-04 2.4375e+00
98 0.0000e+00 1.2000e-03 0.0000e+00 6.0000e-04 2.4625e+00
99 0.0000e+00 1.2000e-03 0.0000e+00 6.0000e-04 2.4875e+00
100 0.0000e+00 1.2000e-03 0.0000e+00 6.0000e-04 2.5125e+00

202
ex11trn.sel
View File

@ -1,102 +1,102 @@
step Na Cl K Ca Pore_vol
0 1.000000000001e-003 0.000000000000e+000 2.000000000001e-004 0.000000000000e+000 1.250000000000e-002
1 1.000000000001e-003 0.000000000000e+000 2.000000000001e-004 0.000000000000e+000 3.750000000000e-002
2 1.000000000001e-003 0.000000000000e+000 2.000000000001e-004 0.000000000000e+000 6.250000000000e-002
3 1.000000000001e-003 0.000000000000e+000 2.000000000001e-004 0.000000000000e+000 8.750000000000e-002
4 1.000000000001e-003 0.000000000000e+000 2.000000000001e-004 0.000000000000e+000 1.125000000000e-001
5 1.000000000001e-003 0.000000000000e+000 2.000000000001e-004 0.000000000000e+000 1.375000000000e-001
6 1.000000000001e-003 0.000000000000e+000 2.000000000001e-004 0.000000000000e+000 1.625000000000e-001
7 1.000000000001e-003 0.000000000000e+000 2.000000000001e-004 0.000000000000e+000 1.875000000000e-001
8 1.000000000001e-003 3.099695935214e-022 2.000000000001e-004 0.000000000000e+000 2.125000000000e-001
9 1.000000000001e-003 1.500903350308e-017 2.000000000001e-004 0.000000000000e+000 2.375000000000e-001
10 1.000000000001e-003 6.337810057702e-015 2.000000000001e-004 0.000000000000e+000 2.625000000000e-001
11 1.000000000001e-003 4.494806171135e-013 2.000000000001e-004 0.000000000000e+000 2.875000000000e-001
12 1.000000000001e-003 1.148716182463e-011 2.000000000001e-004 0.000000000000e+000 3.125000000000e-001
13 1.000000000001e-003 1.502206811008e-010 2.000000000001e-004 0.000000000000e+000 3.375000000000e-001
14 1.000000000001e-003 1.222542811896e-009 2.000000000001e-004 0.000000000000e+000 3.625000000000e-001
15 1.000000000001e-003 6.992469583245e-009 2.000000000001e-004 0.000000000000e+000 3.875000000000e-001
16 1.000000000001e-003 3.048043440193e-008 2.000000000001e-004 0.000000000000e+000 4.125000000000e-001
17 1.000000000001e-003 1.071736884871e-007 2.000000000002e-004 0.000000000000e+000 4.375000000000e-001
18 1.000000000000e-003 3.167880505853e-007 2.000000000003e-004 0.000000000000e+000 4.625000000000e-001
19 9.999999999998e-004 8.119152403767e-007 2.000000000008e-004 0.000000000000e+000 4.875000000000e-001
20 9.999999999970e-004 1.847753784005e-006 2.000000000036e-004 0.000000000000e+000 5.125000000000e-001
21 9.999999999829e-004 3.804229075498e-006 2.000000000177e-004 0.000000000000e+000 5.375000000000e-001
22 9.999999999206e-004 7.191769366289e-006 2.000000000799e-004 0.000000000000e+000 5.625000000000e-001
23 9.999999996780e-004 1.263506022275e-005 2.000000003224e-004 0.000000000000e+000 5.875000000000e-001
24 9.999999988272e-004 2.083413717060e-005 2.000000011730e-004 0.000000000000e+000 6.125000000000e-001
25 9.999999961121e-004 3.250742767487e-005 2.000000038879e-004 0.000000000000e+000 6.375000000000e-001
26 9.999999881426e-004 4.832522920511e-005 2.000000118570e-004 0.000000000000e+000 6.625000000000e-001
27 9.999999664326e-004 6.884373211801e-005 2.000000335675e-004 0.000000000000e+000 6.875000000000e-001
28 9.999999111052e-004 9.444901160182e-005 2.000000888945e-004 0.000000000000e+000 7.125000000000e-001
29 9.999997782999e-004 1.253179893806e-004 2.000002216982e-004 0.000000000000e+000 7.375000000000e-001
30 9.999994762263e-004 1.614000573130e-004 2.000005237710e-004 0.000000000000e+000 7.625000000000e-001
31 9.999988216501e-004 2.024196971828e-004 2.000011783463e-004 0.000000000000e+000 7.875000000000e-001
32 9.999974639175e-004 2.478976466358e-004 2.000025360779e-004 0.000000000000e+000 8.125000000000e-001
33 9.999947567692e-004 2.971862880205e-004 2.000052432252e-004 0.000000000000e+000 8.375000000000e-001
34 9.999895484272e-004 3.495140484273e-004 2.000104515661e-004 0.000000000000e+000 8.625000000000e-001
35 9.999798465377e-004 4.040335770961e-004 2.000201534545e-004 0.000000000000e+000 8.875000000000e-001
36 9.999622949272e-004 4.598690859741e-004 2.000377050640e-004 0.000000000000e+000 9.125000000000e-001
37 9.999313715085e-004 5.161592448416e-004 2.000686284816e-004 0.000000000000e+000 9.375000000000e-001
38 9.998781779316e-004 5.720931802486e-004 2.001218220576e-004 0.000000000000e+000 9.625000000000e-001
39 9.997886375191e-004 6.269382550206e-004 2.002113624691e-004 0.000000000000e+000 9.875000000000e-001
40 9.996408433074e-004 6.800592808319e-004 2.003591566810e-004 0.000000000000e+000 1.012500000000e+000
41 9.994011963369e-004 7.309295762323e-004 2.005988036505e-004 0.000000000000e+000 1.037500000000e+000
42 9.990188397468e-004 7.791348087967e-004 2.009811602397e-004 0.000000000000e+000 1.062500000000e+000
43 9.984177242045e-004 8.243708674752e-004 2.015822757811e-004 0.000000000000e+000 1.087500000000e+000
44 9.974854438368e-004 8.664371340741e-004 2.025145561487e-004 0.000000000000e+000 1.112500000000e+000
45 9.960577962298e-004 9.052265038234e-004 2.039422037552e-004 0.000000000000e+000 1.137500000000e+000
46 9.938979443520e-004 9.407133877485e-004 2.061020556313e-004 0.000000000000e+000 1.162500000000e+000
47 9.906693141040e-004 9.729407531501e-004 2.093306858788e-004 0.000000000000e+000 1.187500000000e+000
48 9.859023890758e-004 1.002007055047e-003 2.140976109065e-004 0.000000000000e+000 1.212500000000e+000
49 9.789581342800e-004 1.028053705197e-003 2.210418657019e-004 0.000000000000e+000 1.237500000000e+000
50 9.689960020447e-004 1.051253532901e-003 2.310039979368e-004 0.000000000000e+000 1.262500000000e+000
51 9.549633406191e-004 1.071800523379e-003 2.450366593620e-004 0.000000000000e+000 1.287500000000e+000
52 9.356347611896e-004 1.089900980031e-003 2.643652387912e-004 0.000000000000e+000 1.312500000000e+000
53 9.097384556518e-004 1.105766147280e-003 2.902615443288e-004 0.000000000000e+000 1.337500000000e+000
54 8.761960791077e-004 1.119606249493e-003 3.238039208726e-004 0.000000000000e+000 1.362500000000e+000
55 8.344533162911e-004 1.131625845339e-003 3.655466836889e-004 0.000000000000e+000 1.387500000000e+000
56 7.847919483098e-004 1.142020362046e-003 4.152080516700e-004 0.000000000000e+000 1.412500000000e+000
57 7.284538180972e-004 1.150973656036e-003 4.715461818823e-004 3.527691327785e-028 1.437500000000e+000
58 6.674661085728e-004 1.158656441395e-003 5.325338914065e-004 4.210830213867e-026 1.462500000000e+000
59 6.042301539949e-004 1.165225432017e-003 5.957698459843e-004 2.111263595520e-024 1.487500000000e+000
60 5.410706823262e-004 1.170823053924e-003 6.589293176528e-004 9.153151825903e-023 1.512500000000e+000
61 4.799176852845e-004 1.175577598780e-003 7.200823146944e-004 3.514329610546e-021 1.537500000000e+000
62 4.221746161474e-004 1.179603706072e-003 7.778253838313e-004 1.207212911796e-019 1.562500000000e+000
63 3.687296676774e-004 1.183003078327e-003 8.312703323011e-004 3.694069939282e-018 1.587500000000e+000
64 3.200377921536e-004 1.185865350145e-003 8.799622078245e-004 1.035721394428e-016 1.612500000000e+000
65 2.762284275372e-004 1.188269047044e-003 9.237715724357e-004 2.657315704079e-015 1.637500000000e+000
66 2.371960301433e-004 1.190282583742e-003 9.628039697093e-004 6.272118966951e-014 1.662500000000e+000
67 2.026802537178e-004 1.191965263410e-003 9.973197434519e-004 1.404107859393e-012 1.687500000000e+000
68 1.723175271426e-004 1.193368249525e-003 1.027682413416e-003 2.970942511569e-011 1.712500000000e+000
69 1.456986432175e-004 1.194535490349e-003 1.054300183622e-003 5.865690677708e-010 1.737500000000e+000
70 1.223834613831e-004 1.195504582884e-003 1.077593525039e-003 1.150677796598e-008 1.762500000000e+000
71 1.019262234261e-004 1.196307568531e-003 1.097657248009e-003 2.082642713301e-007 1.787500000000e+000
72 8.381479862784e-005 1.196971656899e-003 1.109525482812e-003 3.329859268700e-006 1.812500000000e+000
73 6.668224772913e-005 1.197519877322e-003 1.024937217503e-003 5.419026737413e-005 1.837500000000e+000
74 5.053198030740e-005 1.197971659938e-003 7.350507168382e-004 2.072086514207e-004 1.862500000000e+000
75 3.879701101061e-005 1.198343349753e-003 5.356918172487e-004 3.127555858660e-004 1.887500000000e+000
76 3.007678125634e-005 1.198648658204e-003 4.021188022964e-004 3.839022082205e-004 1.912500000000e+000
77 2.344463396945e-005 1.198899057198e-003 3.068522378227e-004 4.348515641016e-004 1.937500000000e+000
78 1.834047853706e-005 1.199104120994e-003 2.366187850151e-004 4.725203682222e-004 1.962500000000e+000
79 1.438416241054e-005 1.199271821253e-003 1.838015688635e-004 5.009071343616e-004 1.987500000000e+000
80 1.130287480376e-005 1.199408780438e-003 1.435541335214e-004 5.225714958364e-004 2.012500000000e+000
81 8.894853586721e-006 1.199520488471e-003 1.125953623369e-004 5.392548920374e-004 2.037500000000e+000
82 7.008145405263e-006 1.199611487223e-003 8.861328604998e-005 5.521892842718e-004 2.062500000000e+000
83 5.526939417495e-006 1.199685527006e-003 6.993373946413e-005 5.622696605587e-004 2.087500000000e+000
84 4.362237112771e-006 1.199745698858e-003 5.532050296936e-005 5.701586299586e-004 2.112500000000e+000
85 3.445231408136e-006 1.199794545990e-003 4.384740194449e-005 5.763536833234e-004 2.137500000000e+000
86 2.722483451924e-006 1.199834157394e-003 3.481279215853e-005 5.812323621945e-004 2.162500000000e+000
87 2.152343598662e-006 1.199866246232e-003 2.768046289400e-005 5.850835967535e-004 2.187500000000e+000
88 1.702259794937e-006 1.199892215323e-003 2.203774523396e-005 5.881299974854e-004 2.212500000000e+000
89 1.346732993952e-006 1.199913211686e-003 1.756522015977e-005 5.905440234230e-004 2.237500000000e+000
90 1.065752132321e-006 1.199930171882e-003 1.401446561895e-005 5.924598911243e-004 2.262500000000e+000
91 8.435890067651e-007 1.199943859609e-003 1.119149949798e-005 5.939824557476e-004 2.287500000000e+000
92 6.678658674970e-007 1.199954896813e-003 8.944331558137e-006 5.951939012871e-004 2.312500000000e+000
93 5.288312413438e-007 1.199963789378e-003 7.153523569680e-006 5.961588225944e-004 2.337500000000e+000
94 4.187957150894e-007 1.199970948301e-003 5.724978837426e-006 5.969281127237e-004 2.362500000000e+000
95 3.316912047505e-007 1.199976707113e-003 4.584400903362e-006 5.975419539459e-004 2.387500000000e+000
96 2.627259384113e-007 1.199981336185e-003 3.673012801159e-006 5.980321306302e-004 2.412500000000e+000
97 2.081138742758e-007 1.199985054462e-003 2.944235273407e-006 5.984238254261e-004 2.437500000000e+000
98 1.648621675745e-007 1.199988039067e-003 2.361099114094e-006 5.987370193592e-004 2.462500000000e+000
99 1.306040136021e-007 1.199990433149e-003 1.894222567902e-006 5.989875867092e-004 2.487500000000e+000
100 1.034670313119e-007 1.199992352295e-003 1.520225705677e-006 5.991881536315e-004 2.512500000000e+000
0 1.000000000001e-03 0.000000000000e+00 2.000000000001e-04 0.000000000000e+00 1.250000000000e-02
1 1.000000000001e-03 0.000000000000e+00 2.000000000001e-04 0.000000000000e+00 3.750000000000e-02
2 1.000000000001e-03 0.000000000000e+00 2.000000000001e-04 0.000000000000e+00 6.250000000000e-02
3 1.000000000001e-03 0.000000000000e+00 2.000000000001e-04 0.000000000000e+00 8.750000000000e-02
4 1.000000000001e-03 0.000000000000e+00 2.000000000001e-04 0.000000000000e+00 1.125000000000e-01
5 1.000000000001e-03 0.000000000000e+00 2.000000000001e-04 0.000000000000e+00 1.375000000000e-01
6 1.000000000001e-03 0.000000000000e+00 2.000000000001e-04 0.000000000000e+00 1.625000000000e-01
7 1.000000000001e-03 0.000000000000e+00 2.000000000001e-04 0.000000000000e+00 1.875000000000e-01
8 1.000000000001e-03 3.099695935214e-22 2.000000000001e-04 0.000000000000e+00 2.125000000000e-01
9 1.000000000001e-03 1.500903350308e-17 2.000000000001e-04 0.000000000000e+00 2.375000000000e-01
10 1.000000000001e-03 6.337810057702e-15 2.000000000001e-04 0.000000000000e+00 2.625000000000e-01
11 1.000000000001e-03 4.494806171135e-13 2.000000000001e-04 0.000000000000e+00 2.875000000000e-01
12 1.000000000001e-03 1.148716182463e-11 2.000000000001e-04 0.000000000000e+00 3.125000000000e-01
13 1.000000000001e-03 1.502206811008e-10 2.000000000001e-04 0.000000000000e+00 3.375000000000e-01
14 1.000000000001e-03 1.222542811896e-09 2.000000000001e-04 0.000000000000e+00 3.625000000000e-01
15 1.000000000001e-03 6.992469583245e-09 2.000000000001e-04 0.000000000000e+00 3.875000000000e-01
16 1.000000000001e-03 3.048043440193e-08 2.000000000001e-04 0.000000000000e+00 4.125000000000e-01
17 1.000000000001e-03 1.071736884871e-07 2.000000000002e-04 0.000000000000e+00 4.375000000000e-01
18 1.000000000000e-03 3.167880505853e-07 2.000000000003e-04 0.000000000000e+00 4.625000000000e-01
19 9.999999999998e-04 8.119152403767e-07 2.000000000008e-04 0.000000000000e+00 4.875000000000e-01
20 9.999999999970e-04 1.847753784005e-06 2.000000000036e-04 0.000000000000e+00 5.125000000000e-01
21 9.999999999829e-04 3.804229075498e-06 2.000000000177e-04 0.000000000000e+00 5.375000000000e-01
22 9.999999999206e-04 7.191769366289e-06 2.000000000799e-04 0.000000000000e+00 5.625000000000e-01
23 9.999999996780e-04 1.263506022275e-05 2.000000003224e-04 0.000000000000e+00 5.875000000000e-01
24 9.999999988272e-04 2.083413717060e-05 2.000000011730e-04 0.000000000000e+00 6.125000000000e-01
25 9.999999961121e-04 3.250742767487e-05 2.000000038879e-04 0.000000000000e+00 6.375000000000e-01
26 9.999999881426e-04 4.832522920511e-05 2.000000118570e-04 0.000000000000e+00 6.625000000000e-01
27 9.999999664326e-04 6.884373211801e-05 2.000000335675e-04 0.000000000000e+00 6.875000000000e-01
28 9.999999111052e-04 9.444901160182e-05 2.000000888945e-04 0.000000000000e+00 7.125000000000e-01
29 9.999997782999e-04 1.253179893806e-04 2.000002216982e-04 0.000000000000e+00 7.375000000000e-01
30 9.999994762263e-04 1.614000573130e-04 2.000005237710e-04 0.000000000000e+00 7.625000000000e-01
31 9.999988216501e-04 2.024196971828e-04 2.000011783463e-04 0.000000000000e+00 7.875000000000e-01
32 9.999974639175e-04 2.478976466358e-04 2.000025360779e-04 0.000000000000e+00 8.125000000000e-01
33 9.999947567692e-04 2.971862880205e-04 2.000052432252e-04 0.000000000000e+00 8.375000000000e-01
34 9.999895484273e-04 3.495140484273e-04 2.000104515661e-04 0.000000000000e+00 8.625000000000e-01
35 9.999798465377e-04 4.040335770961e-04 2.000201534545e-04 0.000000000000e+00 8.875000000000e-01
36 9.999622949272e-04 4.598690859741e-04 2.000377050640e-04 0.000000000000e+00 9.125000000000e-01
37 9.999313715085e-04 5.161592448416e-04 2.000686284816e-04 0.000000000000e+00 9.375000000000e-01
38 9.998781779316e-04 5.720931802486e-04 2.001218220576e-04 0.000000000000e+00 9.625000000000e-01
39 9.997886375191e-04 6.269382550206e-04 2.002113624691e-04 0.000000000000e+00 9.875000000000e-01
40 9.996408433074e-04 6.800592808319e-04 2.003591566810e-04 0.000000000000e+00 1.012500000000e+00
41 9.994011963369e-04 7.309295762323e-04 2.005988036505e-04 0.000000000000e+00 1.037500000000e+00
42 9.990188397469e-04 7.791348087967e-04 2.009811602397e-04 0.000000000000e+00 1.062500000000e+00
43 9.984177242045e-04 8.243708674752e-04 2.015822757811e-04 0.000000000000e+00 1.087500000000e+00
44 9.974854438368e-04 8.664371340741e-04 2.025145561487e-04 0.000000000000e+00 1.112500000000e+00
45 9.960577962298e-04 9.052265038234e-04 2.039422037552e-04 0.000000000000e+00 1.137500000000e+00
46 9.938979443520e-04 9.407133877485e-04 2.061020556313e-04 0.000000000000e+00 1.162500000000e+00
47 9.906693141040e-04 9.729407531501e-04 2.093306858788e-04 0.000000000000e+00 1.187500000000e+00
48 9.859023890758e-04 1.002007055047e-03 2.140976109065e-04 0.000000000000e+00 1.212500000000e+00
49 9.789581342800e-04 1.028053705197e-03 2.210418657019e-04 0.000000000000e+00 1.237500000000e+00
50 9.689960020447e-04 1.051253532901e-03 2.310039979368e-04 0.000000000000e+00 1.262500000000e+00
51 9.549633406191e-04 1.071800523379e-03 2.450366593620e-04 0.000000000000e+00 1.287500000000e+00
52 9.356347611896e-04 1.089900980031e-03 2.643652387912e-04 0.000000000000e+00 1.312500000000e+00
53 9.097384556518e-04 1.105766147280e-03 2.902615443288e-04 0.000000000000e+00 1.337500000000e+00
54 8.761960791077e-04 1.119606249493e-03 3.238039208726e-04 0.000000000000e+00 1.362500000000e+00
55 8.344533162911e-04 1.131625845339e-03 3.655466836889e-04 0.000000000000e+00 1.387500000000e+00
56 7.847919483098e-04 1.142020362046e-03 4.152080516700e-04 0.000000000000e+00 1.412500000000e+00
57 7.284538180972e-04 1.150973656036e-03 4.715461818824e-04 3.527691327786e-28 1.437500000000e+00
58 6.674661085728e-04 1.158656441395e-03 5.325338914065e-04 4.210830213869e-26 1.462500000000e+00
59 6.042301539949e-04 1.165225432017e-03 5.957698459843e-04 2.111263595521e-24 1.487500000000e+00
60 5.410706823262e-04 1.170823053924e-03 6.589293176528e-04 9.153151825907e-23 1.512500000000e+00
61 4.799176852845e-04 1.175577598780e-03 7.200823146944e-04 3.514329610547e-21 1.537500000000e+00
62 4.221746161474e-04 1.179603706072e-03 7.778253838313e-04 1.207212911796e-19 1.562500000000e+00
63 3.687296676774e-04 1.183003078327e-03 8.312703323011e-04 3.694069939283e-18 1.587500000000e+00
64 3.200377921536e-04 1.185865350145e-03 8.799622078245e-04 1.035721394428e-16 1.612500000000e+00
65 2.762284275372e-04 1.188269047044e-03 9.237715724357e-04 2.657315704080e-15 1.637500000000e+00
66 2.371960301433e-04 1.190282583742e-03 9.628039697093e-04 6.272118966953e-14 1.662500000000e+00
67 2.026802537178e-04 1.191965263410e-03 9.973197434519e-04 1.404107859393e-12 1.687500000000e+00
68 1.723175271426e-04 1.193368249525e-03 1.027682413416e-03 2.970942511571e-11 1.712500000000e+00
69 1.456986432175e-04 1.194535490349e-03 1.054300183622e-03 5.865690677711e-10 1.737500000000e+00
70 1.223834613831e-04 1.195504582884e-03 1.077593525039e-03 1.150677796599e-08 1.762500000000e+00
71 1.019262234261e-04 1.196307568531e-03 1.097657248009e-03 2.082642713302e-07 1.787500000000e+00
72 8.381479862784e-05 1.196971656899e-03 1.109525482812e-03 3.329859268702e-06 1.812500000000e+00
73 6.668224772913e-05 1.197519877322e-03 1.024937217503e-03 5.419026737416e-05 1.837500000000e+00
74 5.053198030740e-05 1.197971659938e-03 7.350507168382e-04 2.072086514207e-04 1.862500000000e+00
75 3.879701101061e-05 1.198343349753e-03 5.356918172486e-04 3.127555858661e-04 1.887500000000e+00
76 3.007678125634e-05 1.198648658204e-03 4.021188022964e-04 3.839022082205e-04 1.912500000000e+00
77 2.344463396944e-05 1.198899057198e-03 3.068522378226e-04 4.348515641016e-04 1.937500000000e+00
78 1.834047853706e-05 1.199104120994e-03 2.366187850151e-04 4.725203682222e-04 1.962500000000e+00
79 1.438416241054e-05 1.199271821253e-03 1.838015688635e-04 5.009071343616e-04 1.987500000000e+00
80 1.130287480376e-05 1.199408780438e-03 1.435541335214e-04 5.225714958364e-04 2.012500000000e+00
81 8.894853586721e-06 1.199520488471e-03 1.125953623369e-04 5.392548920374e-04 2.037500000000e+00
82 7.008145405263e-06 1.199611487223e-03 8.861328604998e-05 5.521892842718e-04 2.062500000000e+00
83 5.526939417495e-06 1.199685527006e-03 6.993373946413e-05 5.622696605587e-04 2.087500000000e+00
84 4.362237112771e-06 1.199745698858e-03 5.532050296935e-05 5.701586299586e-04 2.112500000000e+00
85 3.445231408136e-06 1.199794545990e-03 4.384740194448e-05 5.763536833234e-04 2.137500000000e+00
86 2.722483451924e-06 1.199834157394e-03 3.481279215853e-05 5.812323621945e-04 2.162500000000e+00
87 2.152343598662e-06 1.199866246232e-03 2.768046289400e-05 5.850835967535e-04 2.187500000000e+00
88 1.702259794937e-06 1.199892215323e-03 2.203774523396e-05 5.881299974854e-04 2.212500000000e+00
89 1.346732993952e-06 1.199913211686e-03 1.756522015977e-05 5.905440234230e-04 2.237500000000e+00
90 1.065752132321e-06 1.199930171882e-03 1.401446561895e-05 5.924598911243e-04 2.262500000000e+00
91 8.435890067651e-07 1.199943859609e-03 1.119149949798e-05 5.939824557476e-04 2.287500000000e+00
92 6.678658674970e-07 1.199954896813e-03 8.944331558136e-06 5.951939012871e-04 2.312500000000e+00
93 5.288312413437e-07 1.199963789378e-03 7.153523569680e-06 5.961588225944e-04 2.337500000000e+00
94 4.187957150894e-07 1.199970948301e-03 5.724978837426e-06 5.969281127237e-04 2.362500000000e+00
95 3.316912047505e-07 1.199976707113e-03 4.584400903361e-06 5.975419539459e-04 2.387500000000e+00
96 2.627259384113e-07 1.199981336185e-03 3.673012801159e-06 5.980321306302e-04 2.412500000000e+00
97 2.081138742758e-07 1.199985054462e-03 2.944235273407e-06 5.984238254261e-04 2.437500000000e+00
98 1.648621675744e-07 1.199988039067e-03 2.361099114094e-06 5.987370193592e-04 2.462500000000e+00
99 1.306040136021e-07 1.199990433149e-03 1.894222567902e-06 5.989875867092e-04 2.487500000000e+00
100 1.034670313119e-07 1.199992352295e-03 1.520225705677e-06 5.991881536315e-04 2.512500000000e+00

246
ex12.sel
View File

@ -1,124 +1,124 @@
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+001 2.400000000000e+001 0.000000000000e+000 2.400000000000e+001
-99 2.400000000000e+001 2.400000000000e+001 0.000000000000e+000 2.400000000000e+001
0.166667 0.000000000000e+000 0.000000000000e+000 2.400000000000e+001 0.000000000000e+000
0.499999 0.000000000000e+000 0.000000000000e+000 2.400000000000e+001 0.000000000000e+000
0.833333 0.000000000000e+000 0.000000000000e+000 2.400000000000e+001 0.000000000000e+000
1.16667 0.000000000000e+000 0.000000000000e+000 2.400000000000e+001 0.000000000000e+000
1.5 0.000000000000e+000 0.000000000000e+000 2.400000000000e+001 0.000000000000e+000
1.83333 0.000000000000e+000 0.000000000000e+000 2.400000000000e+001 0.000000000000e+000
2.16666 0.000000000000e+000 0.000000000000e+000 2.400000000000e+001 0.000000000000e+000
2.5 0.000000000000e+000 0.000000000000e+000 2.400000000000e+001 0.000000000000e+000
2.83333 0.000000000000e+000 0.000000000000e+000 2.400000000000e+001 0.000000000000e+000
3.16666 0.000000000000e+000 0.000000000000e+000 2.400000000000e+001 0.000000000000e+000
3.5 0.000000000000e+000 0.000000000000e+000 2.400000000000e+001 0.000000000000e+000
3.83333 0.000000000000e+000 0.000000000000e+000 2.400000000000e+001 0.000000000000e+000
4.16666 0.000000000000e+000 0.000000000000e+000 2.400000000000e+001 0.000000000000e+000
4.5 0.000000000000e+000 0.000000000000e+000 2.400000000000e+001 0.000000000000e+000
4.83333 0.000000000000e+000 0.000000000000e+000 2.400000000000e+001 0.000000000000e+000
5.16666 0.000000000000e+000 0.000000000000e+000 2.400000000000e+001 0.000000000000e+000
5.49999 0.000000000000e+000 0.000000000000e+000 2.400000000000e+001 0.000000000000e+000
5.83333 0.000000000000e+000 0.000000000000e+000 2.400000000000e+001 0.000000000000e+000
6.16666 0.000000000000e+000 0.000000000000e+000 2.400000000000e+001 0.000000000000e+000
6.49999 0.000000000000e+000 0.000000000000e+000 2.400000000000e+001 0.000000000000e+000
6.83333 0.000000000000e+000 0.000000000000e+000 2.400000000000e+001 0.000000000000e+000
7.16666 0.000000000000e+000 0.000000000000e+000 2.400000000000e+001 0.000000000000e+000
7.49999 0.000000000000e+000 0.000000000000e+000 2.400000000000e+001 0.000000000000e+000
7.83333 0.000000000000e+000 0.000000000000e+000 2.400000000000e+001 0.000000000000e+000
8.16666 0.000000000000e+000 0.000000000000e+000 2.400000000000e+001 0.000000000000e+000
8.49999 0.000000000000e+000 0.000000000000e+000 2.400000000000e+001 0.000000000000e+000
8.83332 0.000000000000e+000 0.000000000000e+000 2.400000000000e+001 0.000000000000e+000
9.16666 0.000000000000e+000 0.000000000000e+000 2.400000000000e+001 0.000000000000e+000
9.49999 0.000000000000e+000 0.000000000000e+000 2.400000000000e+001 0.000000000000e+000
9.83332 0.000000000000e+000 0.000000000000e+000 2.400000000000e+001 0.000000000000e+000
10.1667 0.000000000000e+000 0.000000000000e+000 2.400000000000e+001 0.000000000000e+000
10.5 0.000000000000e+000 0.000000000000e+000 2.400000000000e+001 0.000000000000e+000
10.8333 0.000000000000e+000 0.000000000000e+000 2.400000000000e+001 0.000000000000e+000
11.1667 0.000000000000e+000 0.000000000000e+000 2.400000000000e+001 0.000000000000e+000
11.5 0.000000000000e+000 0.000000000000e+000 2.400000000000e+001 0.000000000000e+000
11.8333 0.000000000000e+000 0.000000000000e+000 2.400000000000e+001 0.000000000000e+000
12.1667 0.000000000000e+000 0.000000000000e+000 2.400000000000e+001 0.000000000000e+000
12.5 0.000000000000e+000 0.000000000000e+000 2.400000000000e+001 0.000000000000e+000
12.8333 0.000000000000e+000 0.000000000000e+000 2.400000000000e+001 0.000000000000e+000
13.1667 0.000000000000e+000 0.000000000000e+000 2.400000000000e+001 0.000000000000e+000
13.5 0.000000000000e+000 0.000000000000e+000 2.400000000000e+001 0.000000000000e+000
13.8333 0.000000000000e+000 0.000000000000e+000 2.400000000000e+001 0.000000000000e+000
14.1667 0.000000000000e+000 0.000000000000e+000 2.400000000000e+001 0.000000000000e+000
14.5 0.000000000000e+000 0.000000000000e+000 2.400000000000e+001 0.000000000000e+000
14.8333 0.000000000000e+000 0.000000000000e+000 2.400000000000e+001 0.000000000000e+000
15.1667 0.000000000000e+000 0.000000000000e+000 2.400000000000e+001 0.000000000000e+000
15.5 0.000000000000e+000 0.000000000000e+000 2.400000000000e+001 0.000000000000e+000
15.8333 0.000000000000e+000 0.000000000000e+000 2.400000000000e+001 0.000000000000e+000
16.1667 0.000000000000e+000 0.000000000000e+000 2.400000000000e+001 0.000000000000e+000
16.5 0.000000000000e+000 0.000000000000e+000 2.400000000000e+001 0.000000000000e+000
16.8333 0.000000000000e+000 0.000000000000e+000 2.400000000000e+001 0.000000000000e+000
17.1666 0.000000000000e+000 0.000000000000e+000 2.400000000000e+001 0.000000000000e+000
17.5 0.000000000000e+000 0.000000000000e+000 2.400000000000e+001 0.000000000000e+000
17.8333 0.000000000000e+000 0.000000000000e+000 2.400000000000e+001 0.000000000000e+000
18.1666 0.000000000000e+000 0.000000000000e+000 2.400000000000e+001 0.000000000000e+000
18.5 0.000000000000e+000 0.000000000000e+000 2.400000000000e+001 0.000000000000e+000
18.8333 0.000000000000e+000 0.000000000000e+000 2.400000000000e+001 0.000000000000e+000
19.1666 2.400000000000e+001 2.400000000000e+001 0.000000000000e+000 2.400000000000e+001
19.5 2.400000000000e+001 2.400000000000e+001 0.000000000000e+000 2.400000000000e+001
19.8333 2.400000000000e+001 2.400000000000e+001 0.000000000000e+000 2.400000000000e+001
0.166667 2.173421535788e+001 2.173421536215e+001 2.265784634987e+000 2.269804797038e+001
0.499999 1.732877881413e+001 1.732877883101e+001 6.671221161461e+000 2.011807085425e+001
0.833333 1.328084086748e+001 1.328084090220e+001 1.071915908712e+001 1.760856603219e+001
1.16667 9.764795286473e+000 9.764795340311e+000 1.423520464732e+001 1.521227157420e+001
1.5 6.876991640216e+000 6.876991708398e+000 1.712300827879e+001 1.296595961062e+001
1.83333 4.633455928133e+000 4.633456001521e+000 1.936654398618e+001 1.089879733971e+001
2.16666 2.983966658034e+000 2.983966727069e+000 2.101603326175e+001 9.031344427837e+000
2.5 1.835677067050e+000 1.835677125017e+000 2.216432286524e+001 7.375229710947e+000
2.83333 1.078314727713e+000 1.078314771866e+000 2.292168521994e+001 5.933476222868e+000
3.16666 6.047305557783e-001 6.047305866560e-001 2.339526940664e+001 4.701379781834e+000
3.5 3.237709470080e-001 3.237709670136e-001 2.367622902763e+001 3.667800399962e+000
3.83333 1.655104664086e-001 1.655104784988e-001 2.383448951733e+001 2.816701882849e+000
4.16666 8.080257204240e-002 8.080257889296e-002 2.391919741792e+001 2.128773573948e+000
4.5 3.768568646672e-002 3.768569012054e-002 2.396231430751e+001 1.582986272156e+000
4.83333 1.679767756894e-002 1.679767940908e-002 2.398320231887e+001 1.157966472264e+000
5.16666 7.158752063679e-003 7.158752941003e-003 2.399284124583e+001 8.331126368309e-001
5.49999 2.918449214332e-003 2.918449611132e-003 2.399708154953e+001 5.894176946331e-001
5.83333 1.138722696040e-003 1.138722866585e-003 2.399886127655e+001 4.099979928619e-001
6.16666 4.254688736287e-004 4.254689433885e-004 2.399957453067e+001 2.803568840121e-001
6.49999 1.523139982618e-004 1.523140254535e-004 2.399984768573e+001 1.884293356562e-001
6.83333 5.227267557720e-005 5.227268568918e-005 2.399994772716e+001 1.244625136570e-001
7.16666 1.720732480116e-005 1.720732839255e-005 2.399998279259e+001 8.078763518360e-002
7.49999 5.436192373459e-006 5.436193592827e-006 2.399999456377e+001 5.153271367650e-002
7.83333 1.649130959657e-006 1.649131355792e-006 2.399999835086e+001 3.231654723609e-002
8.16666 4.806491381349e-007 4.806492613754e-007 2.399999951936e+001 1.995365519783e-002
8.49999 1.346725366297e-007 1.346725733799e-007 2.399999986535e+001 1.218958904149e-002
8.83332 3.634765898121e-008 3.634766951239e-008 2.399999996368e+001 7.477287155035e-003
9.16666 9.688623034758e-009 9.688626015705e-009 2.399999999035e+001 4.798487469940e-003
9.49999 3.521368975345e-009 3.521370119087e-009 2.399999999651e+001 3.529761276507e-003
9.83332 5.266906600210e-009 5.266908249078e-009 2.399999999477e+001 3.350250040820e-003
10.1667 1.826871464229e-008 1.826871999928e-008 2.399999998177e+001 4.187235208032e-003
10.5 6.734356349056e-008 6.734358208535e-008 2.399999993269e+001 6.195716013759e-003
10.8333 2.402639314420e-007 2.402639938261e-007 2.399999975976e+001 9.768664012937e-003
11.1667 8.242843018529e-007 8.242845025552e-007 2.399999917573e+001 1.557505013537e-002
11.5 2.716922549622e-006 2.716923168042e-006 2.399999728308e+001 2.462264894639e-002
11.8333 8.598959192629e-006 8.598961016095e-006 2.399999140102e+001 3.834165440477e-002
12.1667 2.611819663843e-005 2.611820177908e-005 2.399997388175e+001 5.868305693655e-002
12.5 7.608967015818e-005 7.608968400155e-005 2.399992391022e+001 8.822247450113e-002
12.8333 2.124941138159e-004 2.124941493905e-004 2.399978750569e+001 1.302558794731e-001
13.1667 5.685367828663e-004 5.685368700124e-004 2.399943146288e+001 1.888688939341e-001
13.5 1.456506511045e-003 1.456506714311e-003 2.399854349291e+001 2.689568433455e-001
13.8333 3.570772369452e-003 3.570772820314e-003 2.399642922664e+001 3.761696764507e-001
14.1667 8.372702446682e-003 8.372703396368e-003 2.399162729585e+001 5.167554989999e-001
14.5 1.876668623423e-002 1.876668813093e-002 2.398123331084e+001 6.972801618707e-001
14.8333 4.018855158439e-002 4.018855516968e-002 2.395981144346e+001 9.242091443397e-001
15.1667 8.218587185627e-002 8.218587825846e-002 2.391781411995e+001 1.203352315084e+000
15.5 1.604262488969e-001 1.604262596736e-001 2.383957373807e+001 1.539191520810e+000
15.8333 2.987859018573e-001 2.987859189194e-001 2.370121407830e+001 1.934133647615e+000
16.1667 5.307585250720e-001 5.307585504220e-001 2.346924144625e+001 2.387754908522e+000
16.5 8.989956902916e-001 8.989957255682e-001 2.310100427056e+001 2.896121734271e+000
16.8333 1.451582042996e+000 1.451582088933e+000 2.254841790671e+001 3.451285434110e+000
17.1666 2.233972730862e+000 2.233972786914e+000 2.176602720837e+001 4.041047732573e+000
17.5 3.276610346604e+000 3.276610411034e+000 2.072338958408e+001 4.649079608393e+000
17.8333 4.580032365347e+000 4.580032435936e+000 1.941996755929e+001 5.255445898777e+000
18.1666 6.101263069883e+000 6.101263144995e+000 1.789873685066e+001 5.837544906652e+000
18.5 7.746550873541e+000 7.746550952900e+000 1.625344904349e+001 6.371420572414e+000
18.8333 9.375124349924e+000 9.375124434474e+000 1.462487556287e+001 6.833351769802e+000
19.1666 1.081616435699e+001 1.081616444777e+001 1.318383555060e+001 7.201577340350e+000
19.5 1.189711477283e+001 1.189711486958e+001 1.210288512967e+001 7.457984760744e+000
19.8333 1.247718192302e+001 1.247718202349e+001 1.152281797625e+001 7.589581188921e+000
-99 2.400000000000e+01 2.400000000000e+01 0.000000000000e+00 2.400000000000e+01
-99 2.400000000000e+01 2.400000000000e+01 0.000000000000e+00 2.400000000000e+01
-99 2.400000000000e+01 2.400000000000e+01 0.000000000000e+00 2.400000000000e+01
0.166666 0.000000000000e+00 0.000000000000e+00 2.400000000000e+01 0.000000000000e+00
0.499999 0.000000000000e+00 0.000000000000e+00 2.400000000000e+01 0.000000000000e+00
0.833333 0.000000000000e+00 0.000000000000e+00 2.400000000000e+01 0.000000000000e+00
1.16667 0.000000000000e+00 0.000000000000e+00 2.400000000000e+01 0.000000000000e+00
1.5 0.000000000000e+00 0.000000000000e+00 2.400000000000e+01 0.000000000000e+00
1.83333 0.000000000000e+00 0.000000000000e+00 2.400000000000e+01 0.000000000000e+00
2.16666 0.000000000000e+00 0.000000000000e+00 2.400000000000e+01 0.000000000000e+00
2.5 0.000000000000e+00 0.000000000000e+00 2.400000000000e+01 0.000000000000e+00
2.83333 0.000000000000e+00 0.000000000000e+00 2.400000000000e+01 0.000000000000e+00
3.16666 0.000000000000e+00 0.000000000000e+00 2.400000000000e+01 0.000000000000e+00
3.5 0.000000000000e+00 0.000000000000e+00 2.400000000000e+01 0.000000000000e+00
3.83333 0.000000000000e+00 0.000000000000e+00 2.400000000000e+01 0.000000000000e+00
4.16666 0.000000000000e+00 0.000000000000e+00 2.400000000000e+01 0.000000000000e+00
4.5 0.000000000000e+00 0.000000000000e+00 2.400000000000e+01 0.000000000000e+00
4.83333 0.000000000000e+00 0.000000000000e+00 2.400000000000e+01 0.000000000000e+00
5.16666 0.000000000000e+00 0.000000000000e+00 2.400000000000e+01 0.000000000000e+00
5.49999 0.000000000000e+00 0.000000000000e+00 2.400000000000e+01 0.000000000000e+00
5.83333 0.000000000000e+00 0.000000000000e+00 2.400000000000e+01 0.000000000000e+00
6.16666 0.000000000000e+00 0.000000000000e+00 2.400000000000e+01 0.000000000000e+00
6.49999 0.000000000000e+00 0.000000000000e+00 2.400000000000e+01 0.000000000000e+00
6.83333 0.000000000000e+00 0.000000000000e+00 2.400000000000e+01 0.000000000000e+00
7.16666 0.000000000000e+00 0.000000000000e+00 2.400000000000e+01 0.000000000000e+00
7.49999 0.000000000000e+00 0.000000000000e+00 2.400000000000e+01 0.000000000000e+00
7.83333 0.000000000000e+00 0.000000000000e+00 2.400000000000e+01 0.000000000000e+00
8.16666 0.000000000000e+00 0.000000000000e+00 2.400000000000e+01 0.000000000000e+00
8.49999 0.000000000000e+00 0.000000000000e+00 2.400000000000e+01 0.000000000000e+00
8.83332 0.000000000000e+00 0.000000000000e+00 2.400000000000e+01 0.000000000000e+00
9.16666 0.000000000000e+00 0.000000000000e+00 2.400000000000e+01 0.000000000000e+00
9.49999 0.000000000000e+00 0.000000000000e+00 2.400000000000e+01 0.000000000000e+00
9.83332 0.000000000000e+00 0.000000000000e+00 2.400000000000e+01 0.000000000000e+00
10.1667 0.000000000000e+00 0.000000000000e+00 2.400000000000e+01 0.000000000000e+00
10.5 0.000000000000e+00 0.000000000000e+00 2.400000000000e+01 0.000000000000e+00
10.8333 0.000000000000e+00 0.000000000000e+00 2.400000000000e+01 0.000000000000e+00
11.1667 0.000000000000e+00 0.000000000000e+00 2.400000000000e+01 0.000000000000e+00
11.5 0.000000000000e+00 0.000000000000e+00 2.400000000000e+01 0.000000000000e+00
11.8333 0.000000000000e+00 0.000000000000e+00 2.400000000000e+01 0.000000000000e+00
12.1667 0.000000000000e+00 0.000000000000e+00 2.400000000000e+01 0.000000000000e+00
12.5 0.000000000000e+00 0.000000000000e+00 2.400000000000e+01 0.000000000000e+00
12.8333 0.000000000000e+00 0.000000000000e+00 2.400000000000e+01 0.000000000000e+00
13.1667 0.000000000000e+00 0.000000000000e+00 2.400000000000e+01 0.000000000000e+00
13.5 0.000000000000e+00 0.000000000000e+00 2.400000000000e+01 0.000000000000e+00
13.8333 0.000000000000e+00 0.000000000000e+00 2.400000000000e+01 0.000000000000e+00
14.1667 0.000000000000e+00 0.000000000000e+00 2.400000000000e+01 0.000000000000e+00
14.5 0.000000000000e+00 0.000000000000e+00 2.400000000000e+01 0.000000000000e+00
14.8333 0.000000000000e+00 0.000000000000e+00 2.400000000000e+01 0.000000000000e+00
15.1667 0.000000000000e+00 0.000000000000e+00 2.400000000000e+01 0.000000000000e+00
15.5 0.000000000000e+00 0.000000000000e+00 2.400000000000e+01 0.000000000000e+00
15.8333 0.000000000000e+00 0.000000000000e+00 2.400000000000e+01 0.000000000000e+00
16.1667 0.000000000000e+00 0.000000000000e+00 2.400000000000e+01 0.000000000000e+00
16.5 0.000000000000e+00 0.000000000000e+00 2.400000000000e+01 0.000000000000e+00
16.8333 0.000000000000e+00 0.000000000000e+00 2.400000000000e+01 0.000000000000e+00
17.1666 0.000000000000e+00 0.000000000000e+00 2.400000000000e+01 0.000000000000e+00
17.5 0.000000000000e+00 0.000000000000e+00 2.400000000000e+01 0.000000000000e+00
17.8333 0.000000000000e+00 0.000000000000e+00 2.400000000000e+01 0.000000000000e+00
18.1666 0.000000000000e+00 0.000000000000e+00 2.400000000000e+01 0.000000000000e+00
18.5 0.000000000000e+00 0.000000000000e+00 2.400000000000e+01 0.000000000000e+00
18.8333 0.000000000000e+00 0.000000000000e+00 2.400000000000e+01 0.000000000000e+00
19.1666 2.400000000000e+01 2.400000000000e+01 0.000000000000e+00 2.400000000000e+01
19.5 2.400000000000e+01 2.400000000000e+01 0.000000000000e+00 2.400000000000e+01
19.8333 2.400000000000e+01 2.400000000000e+01 0.000000000000e+00 2.400000000000e+01
0.166666 2.173421535788e+01 2.173421536215e+01 2.265784634987e+00 2.269804797038e+01
0.499999 1.732877881413e+01 1.732877883101e+01 6.671221161461e+00 2.011807085425e+01
0.833333 1.328084086748e+01 1.328084090220e+01 1.071915908712e+01 1.760856603219e+01
1.16667 9.764795286473e+00 9.764795340311e+00 1.423520464732e+01 1.521227157420e+01
1.5 6.876991640216e+00 6.876991708398e+00 1.712300827879e+01 1.296595961062e+01
1.83333 4.633455928133e+00 4.633456001521e+00 1.936654398618e+01 1.089879733971e+01
2.16666 2.983966658034e+00 2.983966727068e+00 2.101603326175e+01 9.031344427837e+00
2.5 1.835677067050e+00 1.835677125017e+00 2.216432286525e+01 7.375229710947e+00
2.83333 1.078314727713e+00 1.078314771866e+00 2.292168521994e+01 5.933476222868e+00
3.16666 6.047305557783e-01 6.047305866559e-01 2.339526940664e+01 4.701379781834e+00
3.5 3.237709470080e-01 3.237709670136e-01 2.367622902763e+01 3.667800399962e+00
3.83333 1.655104664086e-01 1.655104784987e-01 2.383448951733e+01 2.816701882849e+00
4.16666 8.080257204240e-02 8.080257889295e-02 2.391919741792e+01 2.128773573948e+00
4.5 3.768568646672e-02 3.768569012054e-02 2.396231430751e+01 1.582986272156e+00
4.83333 1.679767756894e-02 1.679767940908e-02 2.398320231887e+01 1.157966472264e+00
5.16666 7.158752063679e-03 7.158752941001e-03 2.399284124583e+01 8.331126368309e-01
5.49999 2.918449214332e-03 2.918449611131e-03 2.399708154953e+01 5.894176946331e-01
5.83333 1.138722696040e-03 1.138722866584e-03 2.399886127655e+01 4.099979928619e-01
6.16666 4.254688736287e-04 4.254689433884e-04 2.399957453067e+01 2.803568840121e-01
6.49999 1.523139982618e-04 1.523140254534e-04 2.399984768573e+01 1.884293356562e-01
6.83333 5.227267557720e-05 5.227268568915e-05 2.399994772716e+01 1.244625136570e-01
7.16666 1.720732480116e-05 1.720732839254e-05 2.399998279259e+01 8.078763518360e-02
7.49999 5.436192373459e-06 5.436193592823e-06 2.399999456377e+01 5.153271367650e-02
7.83333 1.649130959657e-06 1.649131355791e-06 2.399999835086e+01 3.231654723609e-02
8.16666 4.806491381349e-07 4.806492613749e-07 2.399999951936e+01 1.995365519783e-02
8.49999 1.346725366297e-07 1.346725733798e-07 2.399999986535e+01 1.218958904149e-02
8.83332 3.634765898121e-08 3.634766951235e-08 2.399999996368e+01 7.477287155035e-03
9.16666 9.688623034758e-09 9.688626015692e-09 2.399999999035e+01 4.798487469940e-03
9.49999 3.521368975345e-09 3.521370119081e-09 2.399999999651e+01 3.529761276507e-03
9.83332 5.266906600210e-09 5.266908249070e-09 2.399999999477e+01 3.350250040820e-03
10.1667 1.826871464229e-08 1.826871999925e-08 2.399999998177e+01 4.187235208032e-03
10.5 6.734356349056e-08 6.734358208526e-08 2.399999993269e+01 6.195716013759e-03
10.8333 2.402639314420e-07 2.402639938257e-07 2.399999975976e+01 9.768664012937e-03
11.1667 8.242843018529e-07 8.242845025543e-07 2.399999917573e+01 1.557505013537e-02
11.5 2.716922549622e-06 2.716923168039e-06 2.399999728308e+01 2.462264894639e-02
11.8333 8.598959192629e-06 8.598961016087e-06 2.399999140102e+01 3.834165440477e-02
12.1667 2.611819663843e-05 2.611820177906e-05 2.399997388175e+01 5.868305693655e-02
12.5 7.608967015818e-05 7.608968400149e-05 2.399992391022e+01 8.822247450113e-02
12.8333 2.124941138159e-04 2.124941493904e-04 2.399978750569e+01 1.302558794731e-01
13.1667 5.685367828663e-04 5.685368700121e-04 2.399943146288e+01 1.888688939341e-01
13.5 1.456506511045e-03 1.456506714310e-03 2.399854349291e+01 2.689568433455e-01
13.8333 3.570772369452e-03 3.570772820312e-03 2.399642922664e+01 3.761696764507e-01
14.1667 8.372702446682e-03 8.372703396364e-03 2.399162729585e+01 5.167554989999e-01
14.5 1.876668623423e-02 1.876668813092e-02 2.398123331084e+01 6.972801618707e-01
14.8333 4.018855158439e-02 4.018855516967e-02 2.395981144346e+01 9.242091443397e-01
15.1667 8.218587185627e-02 8.218587825844e-02 2.391781411995e+01 1.203352315084e+00
15.5 1.604262488969e-01 1.604262596736e-01 2.383957373807e+01 1.539191520810e+00
15.8333 2.987859018573e-01 2.987859189194e-01 2.370121407830e+01 1.934133647615e+00
16.1667 5.307585250720e-01 5.307585504219e-01 2.346924144625e+01 2.387754908522e+00
16.5 8.989956902916e-01 8.989957255681e-01 2.310100427056e+01 2.896121734271e+00
16.8333 1.451582042996e+00 1.451582088933e+00 2.254841790671e+01 3.451285434110e+00
17.1666 2.233972730862e+00 2.233972786913e+00 2.176602720837e+01 4.041047732573e+00
17.5 3.276610346604e+00 3.276610411034e+00 2.072338958408e+01 4.649079608393e+00
17.8333 4.580032365347e+00 4.580032435936e+00 1.941996755929e+01 5.255445898777e+00
18.1666 6.101263069883e+00 6.101263144995e+00 1.789873685066e+01 5.837544906652e+00
18.5 7.746550873541e+00 7.746550952900e+00 1.625344904349e+01 6.371420572414e+00
18.8333 9.375124349924e+00 9.375124434474e+00 1.462487556287e+01 6.833351769802e+00
19.1666 1.081616435699e+01 1.081616444777e+01 1.318383555060e+01 7.201577340350e+00
19.5 1.189711477283e+01 1.189711486958e+01 1.210288512967e+01 7.457984760744e+00
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
5.0000e-001 4.3817e-006 9.0009e-008 5.0636e-004 3.9397e-005
1.5000e+000 1.7304e-005 1.0407e-006 5.1077e-004 5.5286e-005
2.5000e+000 3.5613e-005 3.2028e-006 9.0486e-005 1.4725e-005
3.5000e+000 4.9599e-005 5.2170e-006 -3.7312e-005 -3.8884e-006
4.5000e+000 5.0063e-005 5.6393e-006 -1.9794e-005 -2.5770e-006
5.5000e+000 3.8208e-005 4.4560e-006 -4.0684e-006 -5.0254e-007
6.5000e+000 2.2627e-005 2.6979e-006 -4.8926e-007 -4.8938e-008
7.5000e+000 1.0547e-005 1.2626e-006 -3.9174e-008 -2.7009e-009
8.5000e+000 3.8231e-006 2.9867e-007 -2.2318e-009 -9.0095e-011
5.0000e-01 4.3817e-06 9.0009e-08 5.0636e-04 3.9397e-05
1.5000e+00 1.7304e-05 1.0407e-06 5.1077e-04 5.5286e-05
2.5000e+00 3.5613e-05 3.2028e-06 9.0486e-05 1.4725e-05
3.5000e+00 4.9599e-05 5.2170e-06 -3.7312e-05 -3.8884e-06
4.5000e+00 5.0063e-05 5.6393e-06 -1.9794e-05 -2.5770e-06
5.5000e+00 3.8208e-05 4.4560e-06 -4.0684e-06 -5.0254e-07
6.5000e+00 2.2627e-05 2.6979e-06 -4.8926e-07 -4.8938e-08
7.5000e+00 1.0547e-05 1.2626e-06 -3.9174e-08 -2.7009e-09
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
0.5 0.000000000000e+000 0.000000000000e+000 2.400000000010e+001 0.000000000000e+000
1.5 0.000000000000e+000 0.000000000000e+000 2.400000000010e+001 0.000000000000e+000
2.5 0.000000000000e+000 0.000000000000e+000 2.400000000010e+001 0.000000000000e+000
3.5 0.000000000000e+000 0.000000000000e+000 2.400000000010e+001 0.000000000000e+000
4.5 0.000000000000e+000 0.000000000000e+000 2.400000000010e+001 0.000000000000e+000
5.5 0.000000000000e+000 0.000000000000e+000 2.400000000010e+001 0.000000000000e+000
6.5 0.000000000000e+000 0.000000000000e+000 2.400000000010e+001 0.000000000000e+000
7.5 0.000000000000e+000 0.000000000000e+000 2.400000000010e+001 0.000000000000e+000
8.5 0.000000000000e+000 0.000000000000e+000 2.400000000010e+001 0.000000000000e+000
9.5 0.000000000000e+000 0.000000000000e+000 2.400000000010e+001 0.000000000000e+000
10.5 0.000000000000e+000 0.000000000000e+000 2.400000000010e+001 0.000000000000e+000
11.5 0.000000000000e+000 0.000000000000e+000 2.400000000010e+001 0.000000000000e+000
12.5 0.000000000000e+000 0.000000000000e+000 2.400000000010e+001 0.000000000000e+000
13.5 0.000000000000e+000 0.000000000000e+000 2.400000000010e+001 0.000000000000e+000
14.5 0.000000000000e+000 0.000000000000e+000 2.400000000010e+001 0.000000000000e+000
15.5 0.000000000000e+000 0.000000000000e+000 2.400000000010e+001 0.000000000000e+000
16.5 0.000000000000e+000 0.000000000000e+000 2.400000000010e+001 0.000000000000e+000
17.5 0.000000000000e+000 0.000000000000e+000 2.400000000010e+001 0.000000000000e+000
18.5 0.000000000000e+000 0.000000000000e+000 2.400000000010e+001 0.000000000000e+000
19.5 2.400000000000e+001 2.400000000000e+001 0.000000000000e+000 2.400000000000e+001
0.5 1.686181418415e+001 1.686181419284e+001 7.138185798942e+000 2.011377529332e+001 4.381717721817e-006 5.063555346725e-004
1.5 6.421492325960e+000 6.421492401968e+000 1.757850758483e+001 1.294968671951e+001 1.730376465524e-005 5.107739267527e-004
2.5 1.759908541854e+000 1.759908596888e+000 2.224009139343e+001 7.342808261321e+000 3.561257289983e-005 9.048612448175e-005
3.5 3.571924631562e-001 3.571924817828e-001 2.364280751303e+001 3.623408283684e+000 4.959925523712e-005 -3.731213350981e-005
4.5 5.490209781370e-002 5.490210180420e-002 2.394509789598e+001 1.538555967129e+000 5.006313596727e-005 -1.979378199420e-005
5.5 6.484238380348e-003 6.484238983036e-003 2.399351576029e+001 5.556625533113e-001 3.820767165714e-005 -4.068366980652e-006
6.5 5.926340095484e-004 5.926340766454e-004 2.399940736579e+001 1.684990632469e-001 2.262672987200e-005 -4.892608394201e-007
7.5 4.190926756604e-005 4.190927316647e-005 2.399995809079e+001 4.224784404205e-002 1.054699173423e-005 -3.917411153371e-008
8.5 2.276345750780e-006 2.276346101869e-006 2.399999772377e+001 8.664946370896e-003 3.823149392506e-006 -2.231772077920e-009
9.5 1.396593677778e-007 1.396593921610e-007 2.399999986047e+001 2.055609847093e-003
10.5 1.138869021831e-006 1.138869196843e-006 2.399999886125e+001 4.374443607427e-003
11.5 2.090811414205e-005 2.090811693116e-005 2.399997909198e+001 2.044715368548e-002
12.5 2.951795282278e-004 2.951795617165e-004 2.399970482045e+001 7.995922685941e-002
13.5 3.221164570742e-003 3.221164872776e-003 2.399677883486e+001 2.567109777341e-001
14.5 2.715473190226e-002 2.715473392144e-002 2.397284526516e+001 6.850286499844e-001
15.5 1.753541123879e-001 1.753541220808e-001 2.382464587577e+001 1.533872870596e+000
16.5 8.525032220200e-001 8.525032534630e-001 2.314749674272e+001 2.902126148041e+000
17.5 3.032149931402e+000 3.032149994217e+000 2.096785000079e+001 4.663139220104e+000
18.5 7.550952821146e+000 7.550952899111e+000 1.644904709715e+001 6.385483516941e+000
19.5 1.235834674495e+001 1.235834684370e+001 1.164165315612e+001 7.468268986482e+000
0.5 0.000000000000e+00 0.000000000000e+00 2.400000000010e+01 0.000000000000e+00
1.5 0.000000000000e+00 0.000000000000e+00 2.400000000010e+01 0.000000000000e+00
2.5 0.000000000000e+00 0.000000000000e+00 2.400000000010e+01 0.000000000000e+00
3.5 0.000000000000e+00 0.000000000000e+00 2.400000000010e+01 0.000000000000e+00
4.5 0.000000000000e+00 0.000000000000e+00 2.400000000010e+01 0.000000000000e+00
5.5 0.000000000000e+00 0.000000000000e+00 2.400000000010e+01 0.000000000000e+00
6.5 0.000000000000e+00 0.000000000000e+00 2.400000000010e+01 0.000000000000e+00
7.5 0.000000000000e+00 0.000000000000e+00 2.400000000010e+01 0.000000000000e+00
8.5 0.000000000000e+00 0.000000000000e+00 2.400000000010e+01 0.000000000000e+00
9.5 0.000000000000e+00 0.000000000000e+00 2.400000000010e+01 0.000000000000e+00
10.5 0.000000000000e+00 0.000000000000e+00 2.400000000010e+01 0.000000000000e+00
11.5 0.000000000000e+00 0.000000000000e+00 2.400000000010e+01 0.000000000000e+00
12.5 0.000000000000e+00 0.000000000000e+00 2.400000000010e+01 0.000000000000e+00
13.5 0.000000000000e+00 0.000000000000e+00 2.400000000010e+01 0.000000000000e+00
14.5 0.000000000000e+00 0.000000000000e+00 2.400000000010e+01 0.000000000000e+00
15.5 0.000000000000e+00 0.000000000000e+00 2.400000000010e+01 0.000000000000e+00
16.5 0.000000000000e+00 0.000000000000e+00 2.400000000010e+01 0.000000000000e+00
17.5 0.000000000000e+00 0.000000000000e+00 2.400000000010e+01 0.000000000000e+00
18.5 0.000000000000e+00 0.000000000000e+00 2.400000000010e+01 0.000000000000e+00
19.5 2.400000000000e+01 2.400000000000e+01 0.000000000000e+00 2.400000000000e+01
0.5 1.686181418415e+01 1.686181419284e+01 7.138185798942e+00 2.011377529332e+01 4.381717721796e-06 5.063555346725e-04
1.5 6.421492325960e+00 6.421492401968e+00 1.757850758483e+01 1.294968671951e+01 1.730376465524e-05 5.107739267527e-04
2.5 1.759908541854e+00 1.759908596888e+00 2.224009139343e+01 7.342808261321e+00 3.561257289983e-05 9.048612448175e-05
3.5 3.571924631562e-01 3.571924817828e-01 2.364280751303e+01 3.623408283684e+00 4.959925523712e-05 -3.731213350981e-05
4.5 5.490209781370e-02 5.490210180420e-02 2.394509789598e+01 1.538555967129e+00 5.006313596727e-05 -1.979378199420e-05
5.5 6.484238380348e-03 6.484238983036e-03 2.399351576029e+01 5.556625533113e-01 3.820767165714e-05 -4.068366980652e-06
6.5 5.926340095484e-04 5.926340766454e-04 2.399940736579e+01 1.684990632469e-01 2.262672987200e-05 -4.892608394201e-07
7.5 4.190926756604e-05 4.190927316647e-05 2.399995809079e+01 4.224784404205e-02 1.054699173423e-05 -3.917411153371e-08
8.5 2.276345750780e-06 2.276346101869e-06 2.399999772377e+01 8.664946370896e-03 3.823149392506e-06 -2.231772077920e-09
9.5 1.396593677778e-07 1.396593921610e-07 2.399999986047e+01 2.055609847093e-03
10.5 1.138869021831e-06 1.138869196843e-06 2.399999886125e+01 4.374443607427e-03
11.5 2.090811414205e-05 2.090811693116e-05 2.399997909198e+01 2.044715368548e-02
12.5 2.951795282278e-04 2.951795617165e-04 2.399970482045e+01 7.995922685941e-02
13.5 3.221164570742e-03 3.221164872776e-03 2.399677883486e+01 2.567109777341e-01
14.5 2.715473190226e-02 2.715473392144e-02 2.397284526516e+01 6.850286499844e-01
15.5 1.753541123879e-01 1.753541220808e-01 2.382464587577e+01 1.533872870596e+00
16.5 8.525032220200e-01 8.525032534630e-01 2.314749674272e+01 2.902126148041e+00
17.5 3.032149931402e+00 3.032149994217e+00 2.096785000079e+01 4.663139220104e+00
18.5 7.550952821146e+00 7.550952899111e+00 1.644904709715e+01 6.385483516941e+00
19.5 1.235834674495e+01 1.235834684370e+01 1.164165315612e+01 7.468268986482e+00
dist_x temp
-99 0.000000000000e+000
-99 0.000000000000e+000
-99 0.000000000000e+00
-99 0.000000000000e+00
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
0.5 0.000000000000e+000 0.000000000000e+000 2.400000000000e+001 0.000000000000e+000
0.833333 0.000000000000e+000 0.000000000000e+000 2.400000000000e+001 0.000000000000e+000
1.16667 0.000000000000e+000 0.000000000000e+000 2.400000000000e+001 0.000000000000e+000
1.5 0.000000000000e+000 0.000000000000e+000 2.400000000000e+001 0.000000000000e+000
1.83333 0.000000000000e+000 0.000000000000e+000 2.400000000000e+001 0.000000000000e+000
2.16667 0.000000000000e+000 0.000000000000e+000 2.400000000000e+001 0.000000000000e+000
2.5 0.000000000000e+000 0.000000000000e+000 2.400000000000e+001 0.000000000000e+000
2.83333 0.000000000000e+000 0.000000000000e+000 2.400000000000e+001 0.000000000000e+000
3.16667 0.000000000000e+000 0.000000000000e+000 2.400000000000e+001 0.000000000000e+000
3.5 0.000000000000e+000 0.000000000000e+000 2.400000000000e+001 0.000000000000e+000
3.83333 0.000000000000e+000 0.000000000000e+000 2.400000000000e+001 0.000000000000e+000
4.16667 0.000000000000e+000 0.000000000000e+000 2.400000000000e+001 0.000000000000e+000
4.5 0.000000000000e+000 0.000000000000e+000 2.400000000000e+001 0.000000000000e+000
4.83333 0.000000000000e+000 0.000000000000e+000 2.400000000000e+001 0.000000000000e+000
5.16667 0.000000000000e+000 0.000000000000e+000 2.400000000000e+001 0.000000000000e+000
5.5 0.000000000000e+000 0.000000000000e+000 2.400000000000e+001 0.000000000000e+000
5.83333 0.000000000000e+000 0.000000000000e+000 2.400000000000e+001 0.000000000000e+000
6.16667 0.000000000000e+000 0.000000000000e+000 2.400000000000e+001 0.000000000000e+000
6.5 0.000000000000e+000 0.000000000000e+000 2.400000000000e+001 0.000000000000e+000
6.83333 0.000000000000e+000 0.000000000000e+000 2.400000000000e+001 0.000000000000e+000
7.16667 0.000000000000e+000 0.000000000000e+000 2.400000000000e+001 0.000000000000e+000
7.5 0.000000000000e+000 0.000000000000e+000 2.400000000000e+001 0.000000000000e+000
7.83333 0.000000000000e+000 0.000000000000e+000 2.400000000000e+001 0.000000000000e+000
8.16667 0.000000000000e+000 0.000000000000e+000 2.400000000000e+001 0.000000000000e+000
8.5 0.000000000000e+000 0.000000000000e+000 2.400000000000e+001 0.000000000000e+000
8.83333 0.000000000000e+000 0.000000000000e+000 2.400000000000e+001 0.000000000000e+000
9.16667 0.000000000000e+000 0.000000000000e+000 2.400000000000e+001 0.000000000000e+000
9.5 0.000000000000e+000 0.000000000000e+000 2.400000000000e+001 0.000000000000e+000
9.83333 0.000000000000e+000 0.000000000000e+000 2.400000000000e+001 0.000000000000e+000
10.1667 0.000000000000e+000 0.000000000000e+000 2.400000000000e+001 0.000000000000e+000
10.5 0.000000000000e+000 0.000000000000e+000 2.400000000000e+001 0.000000000000e+000
10.8333 0.000000000000e+000 0.000000000000e+000 2.400000000000e+001 0.000000000000e+000
11.1667 0.000000000000e+000 0.000000000000e+000 2.400000000000e+001 0.000000000000e+000
11.5 0.000000000000e+000 0.000000000000e+000 2.400000000000e+001 0.000000000000e+000
11.8333 0.000000000000e+000 0.000000000000e+000 2.400000000000e+001 0.000000000000e+000
12.1667 0.000000000000e+000 0.000000000000e+000 2.400000000000e+001 0.000000000000e+000
12.5 0.000000000000e+000 0.000000000000e+000 2.400000000000e+001 0.000000000000e+000
12.8333 0.000000000000e+000 0.000000000000e+000 2.400000000000e+001 0.000000000000e+000
13.1667 0.000000000000e+000 0.000000000000e+000 2.400000000000e+001 0.000000000000e+000
13.5 0.000000000000e+000 0.000000000000e+000 2.400000000000e+001 0.000000000000e+000
13.8333 0.000000000000e+000 0.000000000000e+000 2.400000000000e+001 0.000000000000e+000
14.1667 0.000000000000e+000 0.000000000000e+000 2.400000000000e+001 0.000000000000e+000
14.5 0.000000000000e+000 0.000000000000e+000 2.400000000000e+001 0.000000000000e+000
14.8333 0.000000000000e+000 0.000000000000e+000 2.400000000000e+001 0.000000000000e+000
15.1667 0.000000000000e+000 0.000000000000e+000 2.400000000000e+001 0.000000000000e+000
15.5 0.000000000000e+000 0.000000000000e+000 2.400000000000e+001 0.000000000000e+000
15.8333 0.000000000000e+000 0.000000000000e+000 2.400000000000e+001 0.000000000000e+000
16.1667 0.000000000000e+000 0.000000000000e+000 2.400000000000e+001 0.000000000000e+000
16.5 0.000000000000e+000 0.000000000000e+000 2.400000000000e+001 0.000000000000e+000
16.8333 0.000000000000e+000 0.000000000000e+000 2.400000000000e+001 0.000000000000e+000
17.1667 0.000000000000e+000 0.000000000000e+000 2.400000000000e+001 0.000000000000e+000
17.5 0.000000000000e+000 0.000000000000e+000 2.400000000000e+001 0.000000000000e+000
17.8333 0.000000000000e+000 0.000000000000e+000 2.400000000000e+001 0.000000000000e+000
18.1667 0.000000000000e+000 0.000000000000e+000 2.400000000000e+001 0.000000000000e+000
18.5 0.000000000000e+000 0.000000000000e+000 2.400000000000e+001 0.000000000000e+000
18.8333 0.000000000000e+000 0.000000000000e+000 2.400000000000e+001 0.000000000000e+000
19.1667 2.400000000000e+001 2.400000000000e+001 0.000000000000e+000 2.400000000000e+001
19.5 2.400000000000e+001 2.400000000000e+001 0.000000000000e+000 2.400000000000e+001
19.8333 2.400000000000e+001 2.400000000000e+001 0.000000000000e+000 2.400000000000e+001
0.166667 2.173421305916e+001 2.173421306343e+001 2.265786933713e+000 2.269804666237e+001
0.5 1.732877230198e+001 1.732877231885e+001 6.671227673617e+000 2.011806700231e+001 9.000873106221e-008 3.939740866209e-005
0.833333 1.328083118787e+001 1.328083122259e+001 1.071916876673e+001 1.760855984610e+001
1.16667 9.764783869793e+000 9.764783923632e+000 1.423521606399e+001 1.521226338251e+001
1.5 6.876979954453e+000 6.876980022636e+000 1.712301996456e+001 1.296594983181e+001 1.040652360852e-006 5.528630608452e-005
1.83333 4.633445178532e+000 4.633445251920e+000 1.936655473578e+001 1.089878644689e+001
2.16667 2.983957613764e+000 2.983957682798e+000 2.101604230602e+001 9.031332911206e+000
2.5 1.835670035272e+000 1.835670093239e+000 2.216432989702e+001 7.375218041959e+000 3.202792262630e-006 1.472462813060e-005
2.83333 1.078309641703e+000 1.078309685856e+000 2.292169030594e+001 5.933464823790e+000
3.16667 6.047271172834e-001 6.047271481609e-001 2.339527284513e+001 4.701369003170e+000
3.5 3.237687663205e-001 3.237687863260e-001 2.367623120832e+001 3.667790507037e+000 5.217031883862e-006 -3.888438053031e-006
3.83333 1.655091653734e-001 1.655091774635e-001 2.383449081836e+001 2.816693051608e+000
4.16667 8.080184009388e-002 8.080184694437e-002 2.391919814987e+001 2.128765894914e+000
4.5 3.768529738011e-002 3.768530103390e-002 2.396231469660e+001 1.582979760726e+000 5.639342369832e-006 -2.576981223894e-006
4.83333 1.679748179371e-002 1.679748363383e-002 2.398320251464e+001 1.157961083145e+000
5.16667 7.158658672534e-003 7.158659549845e-003 2.399284133922e+001 8.331082803365e-001
5.5 2.918406916536e-003 2.918407313330e-003 2.399708159183e+001 5.894142528793e-001 4.455972089161e-006 -5.025353109459e-007
5.83333 1.138704483513e-003 1.138704654055e-003 2.399886129476e+001 4.099953343111e-001
6.16667 4.254614091982e-004 4.254614789566e-004 2.399957453813e+001 2.803548753968e-001
6.5 1.523110828883e-004 1.523111100794e-004 2.399984768864e+001 1.884278508346e-001 2.697942284308e-006 -4.893787285414e-008
6.83333 5.227158933236e-005 5.227159944410e-005 2.399994772825e+001 1.244614394094e-001
7.16667 1.720693831522e-005 1.720694190652e-005 2.399998279298e+001 8.078687428794e-002
7.5 5.436060934909e-006 5.436062154243e-006 2.399999456390e+001 5.153218578899e-002 1.262649987295e-006 -2.700900521486e-009
7.83333 1.649088195275e-006 1.649088591398e-006 2.399999835090e+001 3.231618817421e-002
8.16667 4.806358157844e-007 4.806359390210e-007 2.399999951937e+001 1.995341519399e-002
8.5 1.346685590700e-007 1.346685958190e-007 2.399999986535e+001 1.218943044691e-002 2.986653164920e-007 -9.009457187028e-011
8.83333 3.634651793240e-008 3.634652846321e-008 2.399999996368e+001 7.477181954110e-003
9.16667 9.688299803978e-009 9.688302784811e-009 2.399999999035e+001 4.798414842280e-003
9.5 3.521245209155e-009 3.521246352850e-009 2.399999999651e+001 3.529705335044e-003
9.83333 5.266729325119e-009 5.266730973922e-009 2.399999999477e+001 3.350197790839e-003
10.1667 1.826814042878e-008 1.826814578557e-008 2.399999998177e+001 4.187174718013e-003
10.5 6.734157441183e-008 6.734159300596e-008 2.399999993269e+001 6.195634765149e-003
10.8333 2.402572726136e-007 2.402573349956e-007 2.399999975977e+001 9.768547400314e-003
11.1667 8.242629300769e-007 8.242631307729e-007 2.399999917575e+001 1.557488011753e-002
11.5 2.716856871595e-006 2.716857489997e-006 2.399999728315e+001 2.462240289780e-002
11.8333 8.598766106045e-006 8.598767929461e-006 2.399999140121e+001 3.834130427907e-002
12.1667 2.611765408526e-005 2.611765922578e-005 2.399997388229e+001 5.868256892004e-002
12.5 7.608821445992e-005 7.608822830296e-005 2.399992391168e+001 8.822180939123e-002
12.8333 2.124903882618e-004 2.124904238356e-004 2.399978750942e+001 1.302549940491e-001
13.1667 5.685276979853e-004 5.685277851296e-004 2.399943147197e+001 1.888677435756e-001
13.5 1.456485427866e-003 1.456485631129e-003 2.399854351400e+001 2.689553860819e-001
13.8333 3.570725867122e-003 3.570726317977e-003 2.399642927315e+001 3.761678784771e-001
14.1667 8.372605102191e-003 8.372606051862e-003 2.399162739320e+001 5.167533414739e-001
14.5 1.876649314861e-002 1.876649504529e-002 2.398123350393e+001 6.972776485213e-001
14.8333 4.018818934234e-002 4.018819292759e-002 2.395981180570e+001 9.242063091076e-001
15.1667 8.218523044497e-002 8.218523684709e-002 2.391781476136e+001 1.203349228728e+000
15.5 1.604251797020e-001 1.604251904787e-001 2.383957480726e+001 1.539188295219e+000
15.8333 2.987842293055e-001 2.987842463674e-001 2.370121575085e+001 1.934130436527e+000
16.1667 5.307560799548e-001 5.307561053046e-001 2.346924389137e+001 2.387751903542e+000
16.5 8.989923689458e-001 8.989924042222e-001 2.310100759190e+001 2.896119155491e+000
16.8333 1.451577886835e+000 1.451577932772e+000 2.254842206287e+001 3.451283515311e+000
17.1667 2.233968006579e+000 2.233968062630e+000 2.176603193265e+001 4.041046701784e+000
17.5 3.276605594066e+000 3.276605658496e+000 2.072339433662e+001 4.649079665446e+000
17.8333 4.580028376255e+000 4.580028446844e+000 1.941997154838e+001 5.255447192263e+000
18.1667 6.101260773083e+000 6.101260848195e+000 1.789873914746e+001 5.837547513147e+000
18.5 7.746551133352e+000 7.746551212711e+000 1.625344878367e+001 6.371424480938e+000
18.8333 9.375127722697e+000 9.375127807246e+000 1.462487219010e+001 6.833356874108e+000
19.1667 1.081617088116e+001 1.081617097194e+001 1.318382902644e+001 7.201583440769e+000
19.5 1.189712387179e+001 1.189712396854e+001 1.210287603071e+001 7.457991576124e+000
19.8333 1.247719247117e+001 1.247719257163e+001 1.152280742811e+001 7.589588377811e+000
0.166667 0.000000000000e+00 0.000000000000e+00 2.400000000000e+01 0.000000000000e+00
0.5 0.000000000000e+00 0.000000000000e+00 2.400000000000e+01 0.000000000000e+00
0.833333 0.000000000000e+00 0.000000000000e+00 2.400000000000e+01 0.000000000000e+00
1.16667 0.000000000000e+00 0.000000000000e+00 2.400000000000e+01 0.000000000000e+00
1.5 0.000000000000e+00 0.000000000000e+00 2.400000000000e+01 0.000000000000e+00
1.83333 0.000000000000e+00 0.000000000000e+00 2.400000000000e+01 0.000000000000e+00
2.16667 0.000000000000e+00 0.000000000000e+00 2.400000000000e+01 0.000000000000e+00
2.5 0.000000000000e+00 0.000000000000e+00 2.400000000000e+01 0.000000000000e+00
2.83333 0.000000000000e+00 0.000000000000e+00 2.400000000000e+01 0.000000000000e+00
3.16667 0.000000000000e+00 0.000000000000e+00 2.400000000000e+01 0.000000000000e+00
3.5 0.000000000000e+00 0.000000000000e+00 2.400000000000e+01 0.000000000000e+00
3.83333 0.000000000000e+00 0.000000000000e+00 2.400000000000e+01 0.000000000000e+00
4.16667 0.000000000000e+00 0.000000000000e+00 2.400000000000e+01 0.000000000000e+00
4.5 0.000000000000e+00 0.000000000000e+00 2.400000000000e+01 0.000000000000e+00
4.83333 0.000000000000e+00 0.000000000000e+00 2.400000000000e+01 0.000000000000e+00
5.16667 0.000000000000e+00 0.000000000000e+00 2.400000000000e+01 0.000000000000e+00
5.5 0.000000000000e+00 0.000000000000e+00 2.400000000000e+01 0.000000000000e+00
5.83333 0.000000000000e+00 0.000000000000e+00 2.400000000000e+01 0.000000000000e+00
6.16667 0.000000000000e+00 0.000000000000e+00 2.400000000000e+01 0.000000000000e+00
6.5 0.000000000000e+00 0.000000000000e+00 2.400000000000e+01 0.000000000000e+00
6.83333 0.000000000000e+00 0.000000000000e+00 2.400000000000e+01 0.000000000000e+00
7.16667 0.000000000000e+00 0.000000000000e+00 2.400000000000e+01 0.000000000000e+00
7.5 0.000000000000e+00 0.000000000000e+00 2.400000000000e+01 0.000000000000e+00
7.83333 0.000000000000e+00 0.000000000000e+00 2.400000000000e+01 0.000000000000e+00
8.16667 0.000000000000e+00 0.000000000000e+00 2.400000000000e+01 0.000000000000e+00
8.5 0.000000000000e+00 0.000000000000e+00 2.400000000000e+01 0.000000000000e+00
8.83333 0.000000000000e+00 0.000000000000e+00 2.400000000000e+01 0.000000000000e+00
9.16667 0.000000000000e+00 0.000000000000e+00 2.400000000000e+01 0.000000000000e+00
9.5 0.000000000000e+00 0.000000000000e+00 2.400000000000e+01 0.000000000000e+00
9.83333 0.000000000000e+00 0.000000000000e+00 2.400000000000e+01 0.000000000000e+00
10.1667 0.000000000000e+00 0.000000000000e+00 2.400000000000e+01 0.000000000000e+00
10.5 0.000000000000e+00 0.000000000000e+00 2.400000000000e+01 0.000000000000e+00
10.8333 0.000000000000e+00 0.000000000000e+00 2.400000000000e+01 0.000000000000e+00
11.1667 0.000000000000e+00 0.000000000000e+00 2.400000000000e+01 0.000000000000e+00
11.5 0.000000000000e+00 0.000000000000e+00 2.400000000000e+01 0.000000000000e+00
11.8333 0.000000000000e+00 0.000000000000e+00 2.400000000000e+01 0.000000000000e+00
12.1667 0.000000000000e+00 0.000000000000e+00 2.400000000000e+01 0.000000000000e+00
12.5 0.000000000000e+00 0.000000000000e+00 2.400000000000e+01 0.000000000000e+00
12.8333 0.000000000000e+00 0.000000000000e+00 2.400000000000e+01 0.000000000000e+00
13.1667 0.000000000000e+00 0.000000000000e+00 2.400000000000e+01 0.000000000000e+00
13.5 0.000000000000e+00 0.000000000000e+00 2.400000000000e+01 0.000000000000e+00
13.8333 0.000000000000e+00 0.000000000000e+00 2.400000000000e+01 0.000000000000e+00
14.1667 0.000000000000e+00 0.000000000000e+00 2.400000000000e+01 0.000000000000e+00
14.5 0.000000000000e+00 0.000000000000e+00 2.400000000000e+01 0.000000000000e+00
14.8333 0.000000000000e+00 0.000000000000e+00 2.400000000000e+01 0.000000000000e+00
15.1667 0.000000000000e+00 0.000000000000e+00 2.400000000000e+01 0.000000000000e+00
15.5 0.000000000000e+00 0.000000000000e+00 2.400000000000e+01 0.000000000000e+00
15.8333 0.000000000000e+00 0.000000000000e+00 2.400000000000e+01 0.000000000000e+00
16.1667 0.000000000000e+00 0.000000000000e+00 2.400000000000e+01 0.000000000000e+00
16.5 0.000000000000e+00 0.000000000000e+00 2.400000000000e+01 0.000000000000e+00
16.8333 0.000000000000e+00 0.000000000000e+00 2.400000000000e+01 0.000000000000e+00
17.1667 0.000000000000e+00 0.000000000000e+00 2.400000000000e+01 0.000000000000e+00
17.5 0.000000000000e+00 0.000000000000e+00 2.400000000000e+01 0.000000000000e+00
17.8333 0.000000000000e+00 0.000000000000e+00 2.400000000000e+01 0.000000000000e+00
18.1667 0.000000000000e+00 0.000000000000e+00 2.400000000000e+01 0.000000000000e+00
18.5 0.000000000000e+00 0.000000000000e+00 2.400000000000e+01 0.000000000000e+00
18.8333 0.000000000000e+00 0.000000000000e+00 2.400000000000e+01 0.000000000000e+00
19.1667 2.400000000000e+01 2.400000000000e+01 0.000000000000e+00 2.400000000000e+01
19.5 2.400000000000e+01 2.400000000000e+01 0.000000000000e+00 2.400000000000e+01
19.8333 2.400000000000e+01 2.400000000000e+01 0.000000000000e+00 2.400000000000e+01
0.166667 2.173421305916e+01 2.173421306343e+01 2.265786933713e+00 2.269804666237e+01
0.5 1.732877230198e+01 1.732877231885e+01 6.671227673617e+00 2.011806700231e+01 9.000873107262e-08 3.939740866210e-05
0.833333 1.328083118787e+01 1.328083122259e+01 1.071916876673e+01 1.760855984610e+01
1.16667 9.764783869793e+00 9.764783923632e+00 1.423521606399e+01 1.521226338251e+01
1.5 6.876979954453e+00 6.876980022636e+00 1.712301996456e+01 1.296594983181e+01 1.040652360852e-06 5.528630608450e-05
1.83333 4.633445178532e+00 4.633445251920e+00 1.936655473578e+01 1.089878644689e+01
2.16667 2.983957613764e+00 2.983957682798e+00 2.101604230602e+01 9.031332911206e+00
2.5 1.835670035272e+00 1.835670093239e+00 2.216432989702e+01 7.375218041959e+00 3.202792262636e-06 1.472462813059e-05
2.83333 1.078309641703e+00 1.078309685856e+00 2.292169030595e+01 5.933464823790e+00
3.16667 6.047271172834e-01 6.047271481609e-01 2.339527284513e+01 4.701369003170e+00
3.5 3.237687663205e-01 3.237687863260e-01 2.367623120832e+01 3.667790507037e+00 5.217031883860e-06 -3.888438053031e-06
3.83333 1.655091653734e-01 1.655091774635e-01 2.383449081836e+01 2.816693051608e+00
4.16667 8.080184009388e-02 8.080184694437e-02 2.391919814987e+01 2.128765894914e+00
4.5 3.768529738011e-02 3.768530103390e-02 2.396231469660e+01 1.582979760726e+00 5.639342369829e-06 -2.576981223895e-06
4.83333 1.679748179371e-02 1.679748363383e-02 2.398320251464e+01 1.157961083145e+00
5.16667 7.158658672534e-03 7.158659549845e-03 2.399284133922e+01 8.331082803365e-01
5.5 2.918406916536e-03 2.918407313330e-03 2.399708159183e+01 5.894142528793e-01 4.455972089159e-06 -5.025353109460e-07
5.83333 1.138704483513e-03 1.138704654055e-03 2.399886129476e+01 4.099953343111e-01
6.16667 4.254614091982e-04 4.254614789566e-04 2.399957453813e+01 2.803548753968e-01
6.5 1.523110828883e-04 1.523111100794e-04 2.399984768864e+01 1.884278508346e-01 2.697942284307e-06 -4.893787285415e-08
6.83333 5.227158933236e-05 5.227159944410e-05 2.399994772825e+01 1.244614394094e-01
7.16667 1.720693831522e-05 1.720694190652e-05 2.399998279298e+01 8.078687428794e-02
7.5 5.436060934909e-06 5.436062154243e-06 2.399999456390e+01 5.153218578899e-02 1.262649987294e-06 -2.700900521486e-09
7.83333 1.649088195275e-06 1.649088591398e-06 2.399999835090e+01 3.231618817421e-02
8.16667 4.806358157844e-07 4.806359390210e-07 2.399999951937e+01 1.995341519399e-02
8.5 1.346685590700e-07 1.346685958190e-07 2.399999986535e+01 1.218943044691e-02 2.986653164919e-07 -9.009457187029e-11
8.83333 3.634651793240e-08 3.634652846321e-08 2.399999996368e+01 7.477181954110e-03
9.16667 9.688299803978e-09 9.688302784812e-09 2.399999999035e+01 4.798414842281e-03
9.5 3.521245209155e-09 3.521246352851e-09 2.399999999651e+01 3.529705335044e-03
9.83333 5.266729325119e-09 5.266730973922e-09 2.399999999477e+01 3.350197790839e-03
10.1667 1.826814042878e-08 1.826814578557e-08 2.399999998177e+01 4.187174718013e-03
10.5 6.734157441183e-08 6.734159300597e-08 2.399999993269e+01 6.195634765149e-03
10.8333 2.402572726136e-07 2.402573349956e-07 2.399999975977e+01 9.768547400314e-03
11.1667 8.242629300769e-07 8.242631307729e-07 2.399999917575e+01 1.557488011753e-02
11.5 2.716856871595e-06 2.716857489997e-06 2.399999728315e+01 2.462240289780e-02
11.8333 8.598766106045e-06 8.598767929462e-06 2.399999140121e+01 3.834130427907e-02
12.1667 2.611765408526e-05 2.611765922578e-05 2.399997388229e+01 5.868256892004e-02
12.5 7.608821445992e-05 7.608822830296e-05 2.399992391168e+01 8.822180939123e-02
12.8333 2.124903882618e-04 2.124904238356e-04 2.399978750942e+01 1.302549940491e-01
13.1667 5.685276979853e-04 5.685277851296e-04 2.399943147197e+01 1.888677435756e-01
13.5 1.456485427866e-03 1.456485631129e-03 2.399854351400e+01 2.689553860820e-01
13.8333 3.570725867122e-03 3.570726317977e-03 2.399642927315e+01 3.761678784771e-01
14.1667 8.372605102191e-03 8.372606051862e-03 2.399162739320e+01 5.167533414739e-01
14.5 1.876649314861e-02 1.876649504529e-02 2.398123350393e+01 6.972776485213e-01
14.8333 4.018818934234e-02 4.018819292759e-02 2.395981180570e+01 9.242063091076e-01
15.1667 8.218523044497e-02 8.218523684709e-02 2.391781476136e+01 1.203349228728e+00
15.5 1.604251797020e-01 1.604251904787e-01 2.383957480726e+01 1.539188295219e+00
15.8333 2.987842293055e-01 2.987842463674e-01 2.370121575085e+01 1.934130436527e+00
16.1667 5.307560799548e-01 5.307561053046e-01 2.346924389137e+01 2.387751903542e+00
16.5 8.989923689458e-01 8.989924042222e-01 2.310100759190e+01 2.896119155491e+00
16.8333 1.451577886835e+00 1.451577932772e+00 2.254842206287e+01 3.451283515311e+00
17.1667 2.233968006579e+00 2.233968062630e+00 2.176603193265e+01 4.041046701784e+00
17.5 3.276605594066e+00 3.276605658496e+00 2.072339433662e+01 4.649079665446e+00
17.8333 4.580028376255e+00 4.580028446844e+00 1.941997154838e+01 5.255447192263e+00
18.1667 6.101260773083e+00 6.101260848195e+00 1.789873914746e+01 5.837547513147e+00
18.5 7.746551133353e+00 7.746551212711e+00 1.625344878367e+01 6.371424480938e+00
18.8333 9.375127722697e+00 9.375127807246e+00 1.462487219010e+01 6.833356874108e+00
19.1667 1.081617088116e+01 1.081617097194e+01 1.318382902644e+01 7.201583440769e+00
19.5 1.189712387179e+01 1.189712396854e+01 1.210287603071e+01 7.457991576124e+00
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
-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
View File

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

132
ex13a.sel
View File

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

162
ex13ac.out
View File

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

162
ex13b.out
View File

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

80
ex13b.sel
View File

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

162
ex13c.out
View File

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

80
ex13c.sel
View File

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

884
ex14.out
View File

File diff suppressed because it is too large Load Diff

402
ex14.sel
View File

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

308
ex15.sel
View File

@ -1,155 +1,155 @@
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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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
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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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
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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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
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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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
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+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+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+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+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-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-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-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-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-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-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-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-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-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-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-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-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-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-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-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-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-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-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-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-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-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-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-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-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-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-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-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-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-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-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-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-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-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-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-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-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-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-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-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-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-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-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-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-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-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-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-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-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-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-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-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-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-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-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-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-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-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-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-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-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-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-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-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-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-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-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-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-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-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-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-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-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+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+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+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+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+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-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-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-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-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-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-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-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-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-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-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-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-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-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-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-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-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-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-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-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-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-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-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-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-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-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-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-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-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-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-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-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-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-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-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-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-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-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-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-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-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-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-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-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-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-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-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-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-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-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-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-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-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-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-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-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-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-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-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-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-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-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-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-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-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-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-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-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-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-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-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-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-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
Alkalinity 3.280e-004 3.280e-004
Ca 7.800e-005 7.800e-005
Cl 1.400e-005 1.400e-005
K 2.800e-005 2.800e-005
Mg 2.900e-005 2.900e-005
Na 1.340e-004 1.340e-004
S(6) 1.000e-005 1.000e-005
Si 2.730e-004 2.730e-004
Alkalinity 3.280e-04 3.280e-04
Ca 7.800e-05 7.800e-05
Cl 1.400e-05 1.400e-05
K 2.800e-05 2.800e-05
Mg 2.900e-05 2.900e-05
Na 1.340e-04 1.340e-04
S(6) 1.000e-05 1.000e-05
Si 2.730e-04 2.730e-04
----------------------------Description of solution----------------------------
@ -81,76 +81,76 @@ Initial solution 1.
Specific Conductance (uS/cm, 25 oC) = 37
Density (g/cm3) = 0.99707
Activity of water = 1.000
Ionic strength = 4.851e-004
Mass of water (kg) = 1.000e+000
Total carbon (mol/kg) = 7.825e-004
Total CO2 (mol/kg) = 7.825e-004
Ionic strength = 4.851e-04
Mass of water (kg) = 1.000e+00
Total carbon (mol/kg) = 7.825e-04
Total CO2 (mol/kg) = 7.825e-04
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
Iterations = 7
Total H = 1.110139e+002
Total O = 5.550924e+001
Total H = 1.110139e+02
Total O = 5.550924e+01
----------------------------Distribution of species----------------------------
Log Log Log
Species Molality Activity Molality Activity Gamma
H+ 6.464e-007 6.310e-007 -6.189 -6.200 -0.011
OH- 1.627e-008 1.587e-008 -7.789 -7.800 -0.011
H2O 5.551e+001 1.000e+000 1.744 -0.000 0.000
C(4) 7.825e-004
CO2 4.540e-004 4.540e-004 -3.343 -3.343 0.000
HCO3- 3.281e-004 3.200e-004 -3.484 -3.495 -0.011
CaHCO3+ 2.940e-007 2.868e-007 -6.532 -6.542 -0.011
MgHCO3+ 1.003e-007 9.783e-008 -6.999 -7.010 -0.011
CO3-2 2.628e-008 2.379e-008 -7.580 -7.624 -0.043
NaHCO3 2.351e-008 2.352e-008 -7.629 -7.629 0.000
CaCO3 2.806e-009 2.807e-009 -8.552 -8.552 0.000
MgCO3 5.929e-010 5.930e-010 -9.227 -9.227 0.000
NaCO3- 5.935e-011 5.788e-011 -10.227 -10.237 -0.011
Ca 7.800e-005
Ca+2 7.758e-005 7.023e-005 -4.110 -4.153 -0.043
CaHCO3+ 2.940e-007 2.868e-007 -6.532 -6.542 -0.011
CaSO4 1.244e-007 1.245e-007 -6.905 -6.905 0.000
CaCO3 2.806e-009 2.807e-009 -8.552 -8.552 0.000
CaOH+ 1.894e-011 1.847e-011 -10.723 -10.733 -0.011
CaHSO4+ 4.717e-013 4.600e-013 -12.326 -12.337 -0.011
Cl 1.400e-005
Cl- 1.400e-005 1.365e-005 -4.854 -4.865 -0.011
H(0) 5.636e-024
H2 2.818e-024 2.818e-024 -23.550 -23.550 0.000
K 2.800e-005
K+ 2.800e-005 2.730e-005 -4.553 -4.564 -0.011
KSO4- 1.747e-009 1.704e-009 -8.758 -8.769 -0.011
KOH 1.500e-013 1.500e-013 -12.824 -12.824 0.000
Mg 2.900e-005
Mg+2 2.885e-005 2.612e-005 -4.540 -4.583 -0.043
MgHCO3+ 1.003e-007 9.783e-008 -6.999 -7.010 -0.011
MgSO4 5.438e-008 5.439e-008 -7.265 -7.264 0.000
MgCO3 5.929e-010 5.930e-010 -9.227 -9.227 0.000
MgOH+ 1.541e-010 1.503e-010 -9.812 -9.823 -0.011
Na 1.340e-004
Na+ 1.340e-004 1.307e-004 -3.873 -3.884 -0.011
NaHCO3 2.351e-008 2.352e-008 -7.629 -7.629 0.000
NaSO4- 5.964e-009 5.816e-009 -8.224 -8.235 -0.011
NaCO3- 5.935e-011 5.788e-011 -10.227 -10.237 -0.011
NaOH 1.368e-012 1.368e-012 -11.864 -11.864 0.000
O(0) 0.000e+000
O2 0.000e+000 0.000e+000 -45.280 -45.280 0.000
S(6) 1.000e-005
SO4-2 9.813e-006 8.882e-006 -5.008 -5.052 -0.043
CaSO4 1.244e-007 1.245e-007 -6.905 -6.905 0.000
MgSO4 5.438e-008 5.439e-008 -7.265 -7.264 0.000
NaSO4- 5.964e-009 5.816e-009 -8.224 -8.235 -0.011
KSO4- 1.747e-009 1.704e-009 -8.758 -8.769 -0.011
HSO4- 5.587e-010 5.448e-010 -9.253 -9.264 -0.011
CaHSO4+ 4.717e-013 4.600e-013 -12.326 -12.337 -0.011
Si 2.730e-004
H4SiO4 2.729e-004 2.730e-004 -3.564 -3.564 0.000
H3SiO4- 6.541e-008 6.379e-008 -7.184 -7.195 -0.011
H2SiO4-2 7.604e-015 6.877e-015 -14.119 -14.163 -0.044
H+ 6.464e-07 6.310e-07 -6.189 -6.200 -0.011
OH- 1.627e-08 1.587e-08 -7.789 -7.800 -0.011
H2O 5.551e+01 1.000e+00 1.744 -0.000 0.000
C(4) 7.825e-04
CO2 4.540e-04 4.540e-04 -3.343 -3.343 0.000
HCO3- 3.281e-04 3.200e-04 -3.484 -3.495 -0.011
CaHCO3+ 2.940e-07 2.868e-07 -6.532 -6.542 -0.011
MgHCO3+ 1.003e-07 9.783e-08 -6.999 -7.010 -0.011
CO3-2 2.628e-08 2.379e-08 -7.580 -7.624 -0.043
NaHCO3 2.351e-08 2.352e-08 -7.629 -7.629 0.000
CaCO3 2.806e-09 2.807e-09 -8.552 -8.552 0.000
MgCO3 5.929e-10 5.930e-10 -9.227 -9.227 0.000
NaCO3- 5.935e-11 5.788e-11 -10.227 -10.237 -0.011
Ca 7.800e-05
Ca+2 7.758e-05 7.023e-05 -4.110 -4.153 -0.043
CaHCO3+ 2.940e-07 2.868e-07 -6.532 -6.542 -0.011
CaSO4 1.244e-07 1.245e-07 -6.905 -6.905 0.000
CaCO3 2.806e-09 2.807e-09 -8.552 -8.552 0.000
CaOH+ 1.894e-11 1.847e-11 -10.723 -10.733 -0.011
CaHSO4+ 4.717e-13 4.600e-13 -12.326 -12.337 -0.011
Cl 1.400e-05
Cl- 1.400e-05 1.365e-05 -4.854 -4.865 -0.011
H(0) 5.636e-24
H2 2.818e-24 2.818e-24 -23.550 -23.550 0.000
K 2.800e-05
K+ 2.800e-05 2.730e-05 -4.553 -4.564 -0.011
KSO4- 1.747e-09 1.704e-09 -8.758 -8.769 -0.011
KOH 1.500e-13 1.500e-13 -12.824 -12.824 0.000
Mg 2.900e-05
Mg+2 2.885e-05 2.612e-05 -4.540 -4.583 -0.043
MgHCO3+ 1.003e-07 9.783e-08 -6.999 -7.010 -0.011
MgSO4 5.438e-08 5.439e-08 -7.265 -7.264 0.000
MgCO3 5.929e-10 5.930e-10 -9.227 -9.227 0.000
MgOH+ 1.541e-10 1.503e-10 -9.812 -9.823 -0.011
Na 1.340e-04
Na+ 1.340e-04 1.307e-04 -3.873 -3.884 -0.011
NaHCO3 2.351e-08 2.352e-08 -7.629 -7.629 0.000
NaSO4- 5.964e-09 5.816e-09 -8.224 -8.235 -0.011
NaCO3- 5.935e-11 5.788e-11 -10.227 -10.237 -0.011
NaOH 1.368e-12 1.368e-12 -11.864 -11.864 0.000
O(0) 0.000e+00
O2 0.000e+00 0.000e+00 -45.280 -45.280 0.000
S(6) 1.000e-05
SO4-2 9.813e-06 8.882e-06 -5.008 -5.052 -0.043
CaSO4 1.244e-07 1.245e-07 -6.905 -6.905 0.000
MgSO4 5.438e-08 5.439e-08 -7.265 -7.264 0.000
NaSO4- 5.964e-09 5.816e-09 -8.224 -8.235 -0.011
KSO4- 1.747e-09 1.704e-09 -8.758 -8.769 -0.011
HSO4- 5.587e-10 5.448e-10 -9.253 -9.264 -0.011
CaHSO4+ 4.717e-13 4.600e-13 -12.326 -12.337 -0.011
Si 2.730e-04
H4SiO4 2.729e-04 2.730e-04 -3.564 -3.564 0.000
H3SiO4- 6.541e-08 6.379e-08 -7.184 -7.195 -0.011
H2SiO4-2 7.604e-15 6.877e-15 -14.119 -14.163 -0.044
------------------------------Saturation indices-------------------------------
@ -181,14 +181,14 @@ Initial solution 2.
Elements Molality Moles
Alkalinity 8.951e-004 8.951e-004
Ca 2.600e-004 2.600e-004
Cl 3.000e-005 3.000e-005
K 4.000e-005 4.000e-005
Mg 7.101e-005 7.101e-005
Na 2.590e-004 2.590e-004
S(6) 2.500e-005 2.500e-005
Si 4.100e-004 4.100e-004
Alkalinity 8.951e-04 8.951e-04
Ca 2.600e-04 2.600e-04
Cl 3.000e-05 3.000e-05
K 4.000e-05 4.000e-05
Mg 7.101e-05 7.101e-05
Na 2.590e-04 2.590e-04
S(6) 2.500e-05 2.500e-05
Si 4.100e-04 4.100e-04
----------------------------Description of solution----------------------------
@ -197,76 +197,76 @@ Initial solution 2.
Specific Conductance (uS/cm, 25 oC) = 95
Density (g/cm3) = 0.99711
Activity of water = 1.000
Ionic strength = 1.313e-003
Mass of water (kg) = 1.000e+000
Total carbon (mol/kg) = 1.199e-003
Total CO2 (mol/kg) = 1.199e-003
Ionic strength = 1.313e-03
Mass of water (kg) = 1.000e+00
Total carbon (mol/kg) = 1.199e-03
Total CO2 (mol/kg) = 1.199e-03
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
Iterations = 6
Total H = 1.110150e+002
Total O = 5.551125e+001
Total H = 1.110150e+02
Total O = 5.551125e+01
----------------------------Distribution of species----------------------------
Log Log Log
Species Molality Activity Molality Activity Gamma
H+ 1.647e-007 1.585e-007 -6.783 -6.800 -0.017
OH- 6.579e-008 6.316e-008 -7.182 -7.200 -0.018
H2O 5.551e+001 1.000e+000 1.744 -0.000 0.000
C(4) 1.199e-003
HCO3- 8.907e-004 8.559e-004 -3.050 -3.068 -0.017
CO2 3.049e-004 3.050e-004 -3.516 -3.516 0.000
CaHCO3+ 2.485e-006 2.387e-006 -5.605 -5.622 -0.017
MgHCO3+ 6.235e-007 5.987e-007 -6.205 -6.223 -0.018
CO3-2 2.971e-007 2.533e-007 -6.527 -6.596 -0.069
NaHCO3 1.196e-007 1.197e-007 -6.922 -6.922 0.000
CaCO3 9.299e-008 9.302e-008 -7.032 -7.031 0.000
MgCO3 1.444e-008 1.445e-008 -7.840 -7.840 0.000
NaCO3- 1.221e-009 1.173e-009 -8.913 -8.931 -0.018
Ca 2.600e-004
Ca+2 2.566e-004 2.186e-004 -3.591 -3.660 -0.069
CaHCO3+ 2.485e-006 2.387e-006 -5.605 -5.622 -0.017
CaSO4 8.841e-007 8.843e-007 -6.054 -6.053 0.000
CaCO3 9.299e-008 9.302e-008 -7.032 -7.031 0.000
CaOH+ 2.384e-010 2.289e-010 -9.623 -9.640 -0.018
CaHSO4+ 8.551e-013 8.211e-013 -12.068 -12.086 -0.018
Cl 3.000e-005
Cl- 3.000e-005 2.880e-005 -4.523 -4.541 -0.018
H(0) 3.555e-025
H2 1.778e-025 1.778e-025 -24.750 -24.750 0.000
K 4.000e-005
K+ 4.000e-005 3.840e-005 -4.398 -4.416 -0.018
KSO4- 5.696e-009 5.470e-009 -8.244 -8.262 -0.018
KOH 8.398e-013 8.401e-013 -12.076 -12.076 0.000
Mg 7.101e-005
Mg+2 7.008e-005 5.978e-005 -4.154 -4.223 -0.069
MgHCO3+ 6.235e-007 5.987e-007 -6.205 -6.223 -0.018
MgSO4 2.840e-007 2.841e-007 -6.547 -6.547 0.000
MgCO3 1.444e-008 1.445e-008 -7.840 -7.840 0.000
MgOH+ 1.426e-009 1.370e-009 -8.846 -8.863 -0.018
Na 2.590e-004
Na+ 2.589e-004 2.486e-004 -3.587 -3.604 -0.018
NaHCO3 1.196e-007 1.197e-007 -6.922 -6.922 0.000
NaSO4- 2.631e-008 2.526e-008 -7.580 -7.598 -0.018
NaCO3- 1.221e-009 1.173e-009 -8.913 -8.931 -0.018
NaOH 1.036e-011 1.036e-011 -10.985 -10.984 0.000
O(0) 0.000e+000
O2 0.000e+000 0.000e+000 -42.880 -42.880 0.000
S(6) 2.500e-005
SO4-2 2.380e-005 2.027e-005 -4.623 -4.693 -0.070
CaSO4 8.841e-007 8.843e-007 -6.054 -6.053 0.000
MgSO4 2.840e-007 2.841e-007 -6.547 -6.547 0.000
NaSO4- 2.631e-008 2.526e-008 -7.580 -7.598 -0.018
KSO4- 5.696e-009 5.470e-009 -8.244 -8.262 -0.018
HSO4- 3.253e-010 3.124e-010 -9.488 -9.505 -0.018
CaHSO4+ 8.551e-013 8.211e-013 -12.068 -12.086 -0.018
Si 4.100e-004
H4SiO4 4.096e-004 4.098e-004 -3.388 -3.387 0.000
H3SiO4- 3.970e-007 3.812e-007 -6.401 -6.419 -0.018
H2SiO4-2 1.924e-013 1.636e-013 -12.716 -12.786 -0.070
H+ 1.647e-07 1.585e-07 -6.783 -6.800 -0.017
OH- 6.579e-08 6.316e-08 -7.182 -7.200 -0.018
H2O 5.551e+01 1.000e+00 1.744 -0.000 0.000
C(4) 1.199e-03
HCO3- 8.907e-04 8.559e-04 -3.050 -3.068 -0.017
CO2 3.049e-04 3.050e-04 -3.516 -3.516 0.000
CaHCO3+ 2.485e-06 2.387e-06 -5.605 -5.622 -0.017
MgHCO3+ 6.235e-07 5.987e-07 -6.205 -6.223 -0.018
CO3-2 2.971e-07 2.533e-07 -6.527 -6.596 -0.069
NaHCO3 1.196e-07 1.197e-07 -6.922 -6.922 0.000
CaCO3 9.299e-08 9.302e-08 -7.032 -7.031 0.000
MgCO3 1.444e-08 1.445e-08 -7.840 -7.840 0.000
NaCO3- 1.221e-09 1.173e-09 -8.913 -8.931 -0.018
Ca 2.600e-04
Ca+2 2.566e-04 2.186e-04 -3.591 -3.660 -0.069
CaHCO3+ 2.485e-06 2.387e-06 -5.605 -5.622 -0.017
CaSO4 8.841e-07 8.843e-07 -6.054 -6.053 0.000
CaCO3 9.299e-08 9.302e-08 -7.032 -7.031 0.000
CaOH+ 2.384e-10 2.289e-10 -9.623 -9.640 -0.018
CaHSO4+ 8.551e-13 8.211e-13 -12.068 -12.086 -0.018
Cl 3.000e-05
Cl- 3.000e-05 2.880e-05 -4.523 -4.541 -0.018
H(0) 3.555e-25
H2 1.778e-25 1.778e-25 -24.750 -24.750 0.000
K 4.000e-05
K+ 4.000e-05 3.840e-05 -4.398 -4.416 -0.018
KSO4- 5.696e-09 5.470e-09 -8.244 -8.262 -0.018
KOH 8.398e-13 8.401e-13 -12.076 -12.076 0.000
Mg 7.101e-05
Mg+2 7.008e-05 5.978e-05 -4.154 -4.223 -0.069
MgHCO3+ 6.235e-07 5.987e-07 -6.205 -6.223 -0.018
MgSO4 2.840e-07 2.841e-07 -6.547 -6.547 0.000
MgCO3 1.444e-08 1.445e-08 -7.840 -7.840 0.000
MgOH+ 1.426e-09 1.370e-09 -8.846 -8.863 -0.018
Na 2.590e-04
Na+ 2.589e-04 2.486e-04 -3.587 -3.604 -0.018
NaHCO3 1.196e-07 1.197e-07 -6.922 -6.922 0.000
NaSO4- 2.631e-08 2.526e-08 -7.580 -7.598 -0.018
NaCO3- 1.221e-09 1.173e-09 -8.913 -8.931 -0.018
NaOH 1.036e-11 1.036e-11 -10.985 -10.984 0.000
O(0) 0.000e+00
O2 0.000e+00 0.000e+00 -42.880 -42.880 0.000
S(6) 2.500e-05
SO4-2 2.380e-05 2.027e-05 -4.623 -4.693 -0.070
CaSO4 8.841e-07 8.843e-07 -6.054 -6.053 0.000
MgSO4 2.840e-07 2.841e-07 -6.547 -6.547 0.000
NaSO4- 2.631e-08 2.526e-08 -7.580 -7.598 -0.018
KSO4- 5.696e-09 5.470e-09 -8.244 -8.262 -0.018
HSO4- 3.253e-10 3.124e-10 -9.488 -9.505 -0.018
CaHSO4+ 8.551e-13 8.211e-13 -12.068 -12.086 -0.018
Si 4.100e-04
H4SiO4 4.096e-04 4.098e-04 -3.388 -3.387 0.000
H3SiO4- 3.970e-07 3.812e-07 -6.401 -6.419 -0.018
H2SiO4-2 1.924e-13 1.636e-13 -12.716 -12.786 -0.070
------------------------------Saturation indices-------------------------------
@ -300,60 +300,60 @@ Using Cl1 standard precision optimization routine.
Solution 1:
Input Delta Input+Delta
pH 6.200e+000 + 1.246e-002 = 6.212e+000
Al 0.000e+000 + 0.000e+000 = 0.000e+000
Alkalinity 3.280e-004 + 5.500e-006 = 3.335e-004
C(-4) 0.000e+000 + 0.000e+000 = 0.000e+000
C(4) 7.825e-004 + 0.000e+000 = 7.825e-004
Ca 7.800e-005 + -3.900e-006 = 7.410e-005
Cl 1.400e-005 + 0.000e+000 = 1.400e-005
H(0) 0.000e+000 + 0.000e+000 = 0.000e+000
K 2.800e-005 + -7.000e-007 = 2.730e-005
Mg 2.900e-005 + 0.000e+000 = 2.900e-005
Na 1.340e-004 + 0.000e+000 = 1.340e-004
O(0) 0.000e+000 + 0.000e+000 = 0.000e+000
S(-2) 0.000e+000 + 0.000e+000 = 0.000e+000
S(6) 1.000e-005 + 0.000e+000 = 1.000e-005
Si 2.730e-004 + 0.000e+000 = 2.730e-004
pH 6.200e+00 + 1.246e-02 = 6.212e+00
Al 0.000e+00 + 0.000e+00 = 0.000e+00
Alkalinity 3.280e-04 + 5.500e-06 = 3.335e-04
C(-4) 0.000e+00 + 0.000e+00 = 0.000e+00
C(4) 7.825e-04 + 0.000e+00 = 7.825e-04
Ca 7.800e-05 + -3.900e-06 = 7.410e-05
Cl 1.400e-05 + 0.000e+00 = 1.400e-05
H(0) 0.000e+00 + 0.000e+00 = 0.000e+00
K 2.800e-05 + -7.000e-07 = 2.730e-05
Mg 2.900e-05 + 0.000e+00 = 2.900e-05
Na 1.340e-04 + 0.000e+00 = 1.340e-04
O(0) 0.000e+00 + 0.000e+00 = 0.000e+00
S(-2) 0.000e+00 + 0.000e+00 = 0.000e+00
S(6) 1.000e-05 + 0.000e+00 = 1.000e-05
Si 2.730e-04 + 0.000e+00 = 2.730e-04
Solution 2:
Input Delta Input+Delta
pH 6.800e+000 + -3.407e-003 = 6.797e+000
Al 0.000e+000 + 0.000e+000 = 0.000e+000
Alkalinity 8.951e-004 + -1.796e-006 = 8.933e-004
C(-4) 0.000e+000 + 0.000e+000 = 0.000e+000
C(4) 1.199e-003 + 0.000e+000 = 1.199e-003
Ca 2.600e-004 + 6.501e-006 = 2.665e-004
Cl 3.000e-005 + 0.000e+000 = 3.000e-005
H(0) 0.000e+000 + 0.000e+000 = 0.000e+000
K 4.000e-005 + 1.000e-006 = 4.100e-005
Mg 7.101e-005 + -8.979e-007 = 7.011e-005
Na 2.590e-004 + 0.000e+000 = 2.590e-004
O(0) 0.000e+000 + 0.000e+000 = 0.000e+000
S(-2) 0.000e+000 + 0.000e+000 = 0.000e+000
S(6) 2.500e-005 + 0.000e+000 = 2.500e-005
Si 4.100e-004 + 0.000e+000 = 4.100e-004
pH 6.800e+00 + -3.407e-03 = 6.797e+00
Al 0.000e+00 + 0.000e+00 = 0.000e+00
Alkalinity 8.951e-04 + -1.796e-06 = 8.933e-04
C(-4) 0.000e+00 + 0.000e+00 = 0.000e+00
C(4) 1.199e-03 + 0.000e+00 = 1.199e-03
Ca 2.600e-04 + 6.501e-06 = 2.665e-04
Cl 3.000e-05 + 0.000e+00 = 3.000e-05
H(0) 0.000e+00 + 0.000e+00 = 0.000e+00
K 4.000e-05 + 1.000e-06 = 4.100e-05
Mg 7.101e-05 + -8.979e-07 = 7.011e-05
Na 2.590e-04 + 0.000e+00 = 2.590e-04
O(0) 0.000e+00 + 0.000e+00 = 0.000e+00
S(-2) 0.000e+00 + 0.000e+00 = 0.000e+00
S(6) 2.500e-05 + 0.000e+00 = 2.500e-05
Si 4.100e-04 + 0.000e+00 = 4.100e-04
Solution fractions: Minimum Maximum
Solution 1 1.000e+000 1.000e+000 1.000e+000
Solution 2 1.000e+000 1.000e+000 1.000e+000
Solution 1 1.000e+00 1.000e+00 1.000e+00
Solution 2 1.000e+00 1.000e+00 1.000e+00
Phase mole transfers: Minimum Maximum
Halite 1.600e-005 1.490e-005 1.710e-005 NaCl
Gypsum 1.500e-005 1.413e-005 1.588e-005 CaSO4:2H2O
Kaolinite -3.392e-005 -5.587e-005 -1.224e-005 Al2Si2O5(OH)4
Ca-Montmorillon -8.090e-005 -1.100e-004 -5.154e-005 Ca0.165Al2.33Si3.67O10(OH)2
CO2(g) 2.928e-004 2.363e-004 3.563e-004 CO2
Calcite 1.240e-004 1.007e-004 1.309e-004 CaCO3
Biotite 1.370e-005 1.317e-005 1.370e-005 KMg3AlSi3O10(OH)2
Plagioclase 1.758e-004 1.582e-004 1.935e-004 Na0.62Ca0.38Al1.38Si2.62O8
Halite 1.600e-05 1.490e-05 1.710e-05 NaCl
Gypsum 1.500e-05 1.413e-05 1.588e-05 CaSO4:2H2O
Kaolinite -3.392e-05 -5.587e-05 -1.224e-05 Al2Si2O5(OH)4
Ca-Montmorillon -8.090e-05 -1.100e-04 -5.154e-05 Ca0.165Al2.33Si3.67O10(OH)2
CO2(g) 2.928e-04 2.363e-04 3.563e-04 CO2
Calcite 1.240e-04 1.007e-04 1.309e-04 CaCO3
Biotite 1.370e-05 1.317e-05 1.370e-05 KMg3AlSi3O10(OH)2
Plagioclase 1.758e-04 1.582e-04 1.935e-04 Na0.62Ca0.38Al1.38Si2.62O8
Redox mole transfers:
Sum of residuals (epsilons in documentation): 5.574e+000
Sum of delta/uncertainty limit: 5.574e+000
Maximum fractional error in element concentration: 5.000e-002
Sum of residuals (epsilons in documentation): 5.574e+00
Sum of delta/uncertainty limit: 5.574e+00
Maximum fractional error in element concentration: 5.000e-02
Model contains minimum number of phases.
===============================================================================
@ -362,60 +362,60 @@ Model contains minimum number of phases.
Solution 1:
Input Delta Input+Delta
pH 6.200e+000 + 1.246e-002 = 6.212e+000
Al 0.000e+000 + 0.000e+000 = 0.000e+000
Alkalinity 3.280e-004 + 5.500e-006 = 3.335e-004
C(-4) 0.000e+000 + 0.000e+000 = 0.000e+000
C(4) 7.825e-004 + 0.000e+000 = 7.825e-004
Ca 7.800e-005 + -3.900e-006 = 7.410e-005
Cl 1.400e-005 + 0.000e+000 = 1.400e-005
H(0) 0.000e+000 + 0.000e+000 = 0.000e+000
K 2.800e-005 + -7.000e-007 = 2.730e-005
Mg 2.900e-005 + 0.000e+000 = 2.900e-005
Na 1.340e-004 + 0.000e+000 = 1.340e-004
O(0) 0.000e+000 + 0.000e+000 = 0.000e+000
S(-2) 0.000e+000 + 0.000e+000 = 0.000e+000
S(6) 1.000e-005 + 0.000e+000 = 1.000e-005
Si 2.730e-004 + 0.000e+000 = 2.730e-004
pH 6.200e+00 + 1.246e-02 = 6.212e+00
Al 0.000e+00 + 0.000e+00 = 0.000e+00
Alkalinity 3.280e-04 + 5.500e-06 = 3.335e-04
C(-4) 0.000e+00 + 0.000e+00 = 0.000e+00
C(4) 7.825e-04 + 0.000e+00 = 7.825e-04
Ca 7.800e-05 + -3.900e-06 = 7.410e-05
Cl 1.400e-05 + 0.000e+00 = 1.400e-05
H(0) 0.000e+00 + 0.000e+00 = 0.000e+00
K 2.800e-05 + -7.000e-07 = 2.730e-05
Mg 2.900e-05 + 0.000e+00 = 2.900e-05
Na 1.340e-04 + 0.000e+00 = 1.340e-04
O(0) 0.000e+00 + 0.000e+00 = 0.000e+00
S(-2) 0.000e+00 + 0.000e+00 = 0.000e+00
S(6) 1.000e-05 + 0.000e+00 = 1.000e-05
Si 2.730e-04 + 0.000e+00 = 2.730e-04
Solution 2:
Input Delta Input+Delta
pH 6.800e+000 + -3.407e-003 = 6.797e+000
Al 0.000e+000 + 0.000e+000 = 0.000e+000
Alkalinity 8.951e-004 + -1.796e-006 = 8.933e-004
C(-4) 0.000e+000 + 0.000e+000 = 0.000e+000
C(4) 1.199e-003 + 0.000e+000 = 1.199e-003
Ca 2.600e-004 + 6.501e-006 = 2.665e-004
Cl 3.000e-005 + 0.000e+000 = 3.000e-005
H(0) 0.000e+000 + 0.000e+000 = 0.000e+000
K 4.000e-005 + 1.000e-006 = 4.100e-005
Mg 7.101e-005 + -8.980e-007 = 7.011e-005
Na 2.590e-004 + 0.000e+000 = 2.590e-004
O(0) 0.000e+000 + 0.000e+000 = 0.000e+000
S(-2) 0.000e+000 + 0.000e+000 = 0.000e+000
S(6) 2.500e-005 + 0.000e+000 = 2.500e-005
Si 4.100e-004 + 0.000e+000 = 4.100e-004
pH 6.800e+00 + -3.407e-03 = 6.797e+00
Al 0.000e+00 + 0.000e+00 = 0.000e+00
Alkalinity 8.951e-04 + -1.796e-06 = 8.933e-04
C(-4) 0.000e+00 + 0.000e+00 = 0.000e+00
C(4) 1.199e-03 + 0.000e+00 = 1.199e-03
Ca 2.600e-04 + 6.501e-06 = 2.665e-04
Cl 3.000e-05 + 0.000e+00 = 3.000e-05
H(0) 0.000e+00 + 0.000e+00 = 0.000e+00
K 4.000e-05 + 1.000e-06 = 4.100e-05
Mg 7.101e-05 + -8.980e-07 = 7.011e-05
Na 2.590e-04 + 0.000e+00 = 2.590e-04
O(0) 0.000e+00 + 0.000e+00 = 0.000e+00
S(-2) 0.000e+00 + 0.000e+00 = 0.000e+00
S(6) 2.500e-05 + 0.000e+00 = 2.500e-05
Si 4.100e-04 + 0.000e+00 = 4.100e-04
Solution fractions: Minimum Maximum
Solution 1 1.000e+000 1.000e+000 1.000e+000
Solution 2 1.000e+000 1.000e+000 1.000e+000
Solution 1 1.000e+00 1.000e+00 1.000e+00
Solution 2 1.000e+00 1.000e+00 1.000e+00
Phase mole transfers: Minimum Maximum
Halite 1.600e-005 1.490e-005 1.710e-005 NaCl
Gypsum 1.500e-005 1.413e-005 1.588e-005 CaSO4:2H2O
Kaolinite -1.282e-004 -1.403e-004 -1.159e-004 Al2Si2O5(OH)4
CO2(g) 3.061e-004 2.490e-004 3.703e-004 CO2
Calcite 1.106e-004 8.680e-005 1.182e-004 CaCO3
Chalcedony -1.084e-004 -1.473e-004 -6.906e-005 SiO2
Biotite 1.370e-005 1.317e-005 1.370e-005 KMg3AlSi3O10(OH)2
Plagioclase 1.758e-004 1.582e-004 1.935e-004 Na0.62Ca0.38Al1.38Si2.62O8
Halite 1.600e-05 1.490e-05 1.710e-05 NaCl
Gypsum 1.500e-05 1.413e-05 1.588e-05 CaSO4:2H2O
Kaolinite -1.282e-04 -1.403e-04 -1.159e-04 Al2Si2O5(OH)4
CO2(g) 3.061e-04 2.490e-04 3.703e-04 CO2
Calcite 1.106e-04 8.680e-05 1.182e-04 CaCO3
Chalcedony -1.084e-04 -1.473e-04 -6.906e-05 SiO2
Biotite 1.370e-05 1.317e-05 1.370e-05 KMg3AlSi3O10(OH)2
Plagioclase 1.758e-04 1.582e-04 1.935e-04 Na0.62Ca0.38Al1.38Si2.62O8
Redox mole transfers:
Sum of residuals (epsilons in documentation): 5.574e+000
Sum of delta/uncertainty limit: 5.574e+000
Maximum fractional error in element concentration: 5.000e-002
Sum of residuals (epsilons in documentation): 5.574e+00
Sum of delta/uncertainty limit: 5.574e+00
Maximum fractional error in element concentration: 5.000e-02
Model contains minimum number of phases.
===============================================================================

218
ex17.out
View File

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

2706
ex17b.out
View File

File diff suppressed because it is too large Load Diff

530
ex18.out
View File

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

144
ex19b.out
View File

@ -21,147 +21,3 @@ Reading input data for simulation 1.
PRINT
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
View File

File diff suppressed because it is too large Load Diff

102
ex2.sel
View File

@ -1,53 +1,53 @@
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 react 1 -99 0 1 7.06676 10.685 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 3 7.03993 10.5481 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 5 7.01353 10.4112 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 7 6.9876 10.278 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 9 6.96217 10.144 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 11 6.93726 10.013 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 13 6.91288 9.88322 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 15 6.88905 9.75576 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 17 6.86578 9.63016 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 19 6.84307 9.50311 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 21 6.82093 9.37752 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 23 6.79936 9.25693 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 25 6.77836 9.14114 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 27 6.75793 9.05938 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 29 6.73806 8.89285 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 31 6.71874 8.77459 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 33 6.69999 8.6575 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 35 6.68054 8.53344 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 37 6.66041 8.42249 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 39 6.64066 8.32984 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 41 6.62129 8.19861 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 43 6.6023 8.09148 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 45 6.58367 7.98353 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 47 6.5654 7.87873 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 49 6.5475 7.81767 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 51 6.52994 7.66429 75.000 0.0000 -0.1704
1 react 1 -99 0 1 7.06676 10.6858 25.000 -0.2197 0.0000
1 react 1 -99 0 2 7.05329 10.6167 26.000 -0.2157 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 10.4794 28.000 -0.2071 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 10.3533 30.000 -0.1977 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 10.2106 32.000 -0.1877 -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 10.0794 34.000 -0.1769 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 9.94892 36.000 -0.1655 -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 9.81981 38.000 -0.1533 -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 9.69217 40.000 -0.1406 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 9.56599 42.000 -0.1272 -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 9.44218 44.000 -0.1132 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 9.31601 46.000 -0.0986 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 9.19389 48.000 -0.0835 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 9.07108 50.000 -0.0678 -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 8.95305 52.000 -0.0515 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 8.83192 54.000 -0.0347 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 8.71757 56.000 -0.0174 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 8.58975 58.000 0.0000 -0.0004
1 react 1 -99 0 35 6.68054 8.5322 59.000 0.0000 -0.0095
1 react 1 -99 0 36 6.67043 8.47682 60.000 0.0000 -0.0187
1 react 1 -99 0 37 6.66041 8.42234 61.000 0.0000 -0.0280
1 react 1 -99 0 38 6.65049 8.36438 62.000 0.0000 -0.0375
1 react 1 -99 0 39 6.64066 8.35744 63.000 0.0000 -0.0471
1 react 1 -99 0 40 6.63093 8.254 64.000 0.0000 -0.0567
1 react 1 -99 0 41 6.62129 8.20879 65.000 0.0000 -0.0665
1 react 1 -99 0 42 6.61175 8.19253 66.000 0.0000 -0.0764
1 react 1 -99 0 43 6.6023 8.09257 67.000 0.0000 -0.0864
1 react 1 -99 0 44 6.59294 8.03756 68.000 0.0000 -0.0966
1 react 1 -99 0 45 6.58367 7.98331 69.000 0.0000 -0.1068
1 react 1 -99 0 46 6.57449 7.93069 70.000 0.0000 -0.1171
1 react 1 -99 0 47 6.5654 7.87687 71.000 0.0000 -0.1276
1 react 1 -99 0 48 6.55641 7.82424 72.000 0.0000 -0.1381
1 react 1 -99 0 49 6.5475 7.76874 73.000 0.0000 -0.1488
1 react 1 -99 0 50 6.53867 7.71721 74.000 0.0000 -0.1595
1 react 1 -99 0 51 6.52994 7.66605 75.000 0.0000 -0.1704

446
ex20a.out
View File

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

63734
ex20b.out
View File

File diff suppressed because it is too large Load Diff

402
ex21_radial.out
View File

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

734
ex3.out
View File

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

478
ex4.out
View File

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

1186
ex5.out
View File

File diff suppressed because it is too large Load Diff

14
ex5.sel
View File

@ -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
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 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 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 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 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 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 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 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+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-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-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-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-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-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
View File

File diff suppressed because it is too large Load Diff

42
ex6A-B.sel
View File

@ -1,22 +1,22 @@
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
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
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
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
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
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
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
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 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 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 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 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 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 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 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 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 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 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 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 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 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
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+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+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+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 8.68345 -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+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+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+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+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+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+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+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+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 10.6003 -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 9.4054 -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 9.15385 -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+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 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 8.80391 -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 8.57 -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 8.96093 -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

32
ex6C.sel
View File

@ -1,17 +1,17 @@
pH+log[K] log[H4SiO4]
-6.0002e+000 -1.2524e+001
-1.8975e+000 -8.4212e+000
-8.5316e-001 -7.3798e+000
3.5755e-001 -6.3763e+000
2.1823e+000 -5.3818e+000
4.1360e+000 -4.6005e+000
5.2614e+000 -3.7187e+000
5.4884e+000 -3.5536e+000
8.0000e+000 -6.3924e+000
4.4080e+000 -5.1950e+000
4.4080e+000 -3.1935e+000
-1.0000e+000 -4.9484e-001
8.0000e+000 -4.3909e+000
4.4080e+000 -3.1935e+000
4.4080e+000 -5.1950e+000
-1.0000e+000 -5.1950e+000
-6.0002e+00 -1.2524e+01
-1.8975e+00 -8.4212e+00
-8.5316e-01 -7.3798e+00
3.5755e-01 -6.3763e+00
2.1823e+00 -5.3818e+00
4.1360e+00 -4.6005e+00
5.2614e+00 -3.7187e+00
5.4884e+00 -3.5536e+00
8.0000e+00 -6.3924e+00
4.4080e+00 -5.1950e+00
4.4080e+00 -3.1935e+00
-1.0000e+00 -4.9484e-01
8.0000e+00 -4.3909e+00
4.4080e+00 -3.1935e+00
4.4080e+00 -5.1950e+00
-1.0000e+00 -5.1950e+00

2312
ex7.out
View File

File diff suppressed because it is too large Load Diff

54
ex7.sel
View File

@ -1,28 +1,28 @@
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 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
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 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 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 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 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 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 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 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 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 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 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 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
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 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 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 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 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 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 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 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 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 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 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 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 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
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 -26.1957 -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-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-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-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-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-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-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-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-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-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-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-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+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+00 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00
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-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-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-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-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-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-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-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-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-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-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+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

2978
ex8.out
View File

File diff suppressed because it is too large Load Diff

52
ex8.sel
View File

@ -1,27 +1,27 @@
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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-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-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-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-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-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-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-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-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-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-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-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-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-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-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-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-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-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-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-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-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-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 12.5232 -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-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 11.9514 -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-06 0.100017 1 -1.85571e-05 -0.00927929 2.5127e-05 6.7404e-05 4.9897e-06

1050
ex9.out
View File

File diff suppressed because it is too large Load Diff

24
ex9.sel
View File

@ -1,13 +1,13 @@
Days Fe(2) Fe(3) pH si_goethite
0.0000e+000 1.0000e+002 0.0000e+000 7.0000e+000 -9.9990e+001
1.1574e-003 9.8942e+001 1.0578e+000 6.0476e+000 6.6424e+000
5.7870e-003 9.8206e+001 1.7942e+000 5.8097e+000 6.6543e+000
4.1667e-002 9.6592e+001 3.4082e+000 5.5247e+000 6.6602e+000
1.6667e-001 9.4639e+001 5.3610e+000 5.3268e+000 6.6620e+000
4.1667e-001 9.2764e+001 7.2360e+000 5.1975e+000 6.6627e+000
1.0000e+000 9.0358e+001 9.6422e+000 5.0750e+000 6.6632e+000
2.0000e+000 8.7896e+001 1.2104e+001 4.9790e+000 6.6635e+000
4.0000e+000 8.4808e+001 1.5192e+001 4.8840e+000 6.6638e+000
6.0000e+000 8.2651e+001 1.7349e+001 4.8290e+000 6.6639e+000
8.0000e+000 8.0939e+001 1.9061e+001 4.7903e+000 6.6640e+000
1.0000e+001 7.9498e+001 2.0502e+001 4.7605e+000 6.6640e+000
0.0000e+00 1.0000e+02 0.0000e+00 7.0000e+00 -9.9990e+01
1.1574e-03 9.8942e+01 1.0578e+00 6.0476e+00 6.6424e+00
5.7870e-03 9.8206e+01 1.7942e+00 5.8097e+00 6.6543e+00
4.1667e-02 9.6592e+01 3.4082e+00 5.5247e+00 6.6602e+00
1.6667e-01 9.4639e+01 5.3610e+00 5.3268e+00 6.6620e+00
4.1667e-01 9.2764e+01 7.2360e+00 5.1975e+00 6.6627e+00
1.0000e+00 9.0358e+01 9.6422e+00 5.0750e+00 6.6632e+00
2.0000e+00 8.7896e+01 1.2104e+01 4.9790e+00 6.6635e+00
4.0000e+00 8.4808e+01 1.5192e+01 4.8840e+00 6.6638e+00
6.0000e+00 8.2651e+01 1.7349e+01 4.8290e+00 6.6639e+00
8.0000e+00 8.0939e+01 1.9061e+01 4.7903e+00 6.6640e+00
1.0000e+01 7.9498e+01 2.0502e+01 4.7605e+00 6.6640e+00

202
radial
View File

@ -2,154 +2,154 @@
PRINT ; -reset false; -echo_input true; -user_print true
# 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
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
# 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
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
SURFACE 5; -equil 5;
Su_ 5.0965e-004 5.2840e+005 6.6087e-004
Su_ii 7.4371e-006
Su_fes 6.9841e-007
-Donnan 1.6711e-009
Su_ 5.0965e-04 5.2840e+05 6.6087e-04
Su_ii 7.4371e-06
Su_fes 6.9841e-07
-Donnan 1.6711e-09
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
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
SURFACE 6; -equil 6;
Su_ 6.2692e-004 5.2840e+005 8.1293e-004
Su_ii 9.1484e-006
Su_fes 8.5911e-007
-Donnan 1.6711e-009
Su_ 6.2692e-04 5.2840e+05 8.1293e-04
Su_ii 9.1484e-06
Su_fes 8.5911e-07
-Donnan 1.6711e-09
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
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
SURFACE 7; -equil 7;
Su_ 7.4419e-004 5.2840e+005 9.6500e-004
Su_ii 1.0860e-005
Su_fes 1.0198e-006
-Donnan 1.6711e-009
Su_ 7.4419e-04 5.2840e+05 9.6500e-04
Su_ii 1.0860e-05
Su_fes 1.0198e-06
-Donnan 1.6711e-09
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
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
SURFACE 8; -equil 8;
Su_ 8.6146e-004 5.2840e+005 1.1171e-003
Su_ii 1.2571e-005
Su_fes 1.1805e-006
-Donnan 1.6711e-009
Su_ 8.6146e-04 5.2840e+05 1.1171e-03
Su_ii 1.2571e-05
Su_fes 1.1805e-06
-Donnan 1.6711e-09
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
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
SURFACE 9; -equil 9;
Su_ 9.7873e-004 5.2840e+005 1.2691e-003
Su_ii 1.4282e-005
Su_fes 1.3412e-006
-Donnan 1.6711e-009
Su_ 9.7873e-04 5.2840e+05 1.2691e-03
Su_ii 1.4282e-05
Su_fes 1.3412e-06
-Donnan 1.6711e-09
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
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
SURFACE 10; -equil 10;
Su_ 1.0960e-003 5.2840e+005 1.4212e-003
Su_ii 1.5994e-005
Su_fes 1.5019e-006
-Donnan 1.6711e-009
Su_ 1.0960e-03 5.2840e+05 1.4212e-03
Su_ii 1.5994e-05
Su_fes 1.5019e-06
-Donnan 1.6711e-09
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
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
SURFACE 11; -equil 11;
Su_ 1.2133e-003 5.2840e+005 1.5733e-003
Su_ii 1.7705e-005
Su_fes 1.6626e-006
-Donnan 1.6711e-009
Su_ 1.2133e-03 5.2840e+05 1.5733e-03
Su_ii 1.7705e-05
Su_fes 1.6626e-06
-Donnan 1.6711e-09
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
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
SURFACE 12; -equil 12;
Su_ 1.3305e-003 5.2840e+005 1.7253e-003
Su_ii 1.9416e-005
Su_fes 1.8233e-006
-Donnan 1.6711e-009
Su_ 1.3305e-03 5.2840e+05 1.7253e-03
Su_ii 1.9416e-05
Su_fes 1.8233e-06
-Donnan 1.6711e-09
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
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
SURFACE 13; -equil 13;
Su_ 1.4478e-003 5.2840e+005 1.8774e-003
Su_ii 2.1127e-005
Su_fes 1.9840e-006
-Donnan 1.6711e-009
Su_ 1.4478e-03 5.2840e+05 1.8774e-03
Su_ii 2.1127e-05
Su_fes 1.9840e-06
-Donnan 1.6711e-09
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
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
SURFACE 14; -equil 14;
Su_ 1.5651e-003 5.2840e+005 2.0295e-003
Su_ii 2.2839e-005
Su_fes 2.1448e-006
-Donnan 1.6711e-009
Su_ 1.5651e-03 5.2840e+05 2.0295e-03
Su_ii 2.2839e-05
Su_fes 2.1448e-06
-Donnan 1.6711e-09
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
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
SURFACE 15; -equil 15;
Su_ 1.6824e-003 5.2840e+005 2.1815e-003
Su_ii 2.4550e-005
Su_fes 2.3055e-006
-Donnan 1.6711e-009
Su_ 1.6824e-03 5.2840e+05 2.1815e-03
Su_ii 2.4550e-05
Su_fes 2.3055e-06
-Donnan 1.6711e-09
EXCHANGE 15; -equil 15;
X 2.0562e-003
X 2.0562e-03
# 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
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
# 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
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
@ -169,27 +169,27 @@ A_Hto 0 0
END
# mixing factors...
MIX 3; 4 6.6932e-004
MIX 4; 5 1.9640e-004
MIX 5; 6 1.5725e-004
MIX 6; 7 1.8971e-004
MIX 7; 8 2.2216e-004
MIX 8; 9 2.5461e-004
MIX 9; 10 2.8706e-004
MIX 10; 11 3.1951e-004
MIX 11; 12 3.5196e-004
MIX 12; 13 3.8441e-004
MIX 13; 14 4.1686e-004
MIX 14; 15 4.4931e-004
MIX 15; 16 7.7653e-004
MIX 16; 17 4.2533e-003
MIX 3; 4 6.6932e-04
MIX 4; 5 1.9640e-04
MIX 5; 6 1.5725e-04
MIX 6; 7 1.8971e-04
MIX 7; 8 2.2216e-04
MIX 8; 9 2.5461e-04
MIX 9; 10 2.8706e-04
MIX 10; 11 3.1951e-04
MIX 11; 12 3.5196e-04
MIX 12; 13 3.8441e-04
MIX 13; 14 4.1686e-04
MIX 14; 15 4.4931e-04
MIX 15; 16 7.7653e-04
MIX 16; 17 4.2533e-03
END
TRANSPORT
-warnings true
-shifts 1120
-flow diff; -cells 1; -bcon 1 2; -stag 15
-time 1.5429e+003
-multi_D true 2.5000e-009 1.5900e-001 0.0 9.9000e-001
-time 1.5429e+03
-multi_D true 2.5000e-09 1.5900e-01 0.0 9.9000e-01
-interlayer_D false 0.04 0.0 750
-punch_fr 14; -punch_c 17
USER_GRAPH 1 Example 21
@ -201,12 +201,12 @@ USER_GRAPH 1 Example 21
-plot_concentration_vs time
10 days = total_time / (3600 * 24)
20 IF INSTR("Hto", "C") THEN mm = 1 ELSE mm = 1e-3
30 s1 = 1.0000e+015 * mm
40 s2 = 1e+011 * mm
30 s1 = 1.0000e+15 * mm
40 s2 = 1e+11 * mm
50 a = equi("A_Hto") * s2
60 IF get(1) = 0 AND total_time > 0 THEN put(total_time, 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)
100 plot_xy days, equi("A_Hto") * s2, y_axis = 2, color = Red, symbol = None
END
@ -217,34 +217,34 @@ USER_GRAPH 1; -detach
USER_GRAPH 5 Example 21
-chart_title "Hto Concentration Profile: Filter1 | Clay | Filter2"
-axis_scale x_axis 0 2.2220e+001
-axis_scale y_axis 0 1.2000e-006
-axis_scale sy_axis 0 1.2000e-006
-axis_scale x_axis 0 2.2220e+01
-axis_scale y_axis 0 1.2000e-06
-axis_scale sy_axis 0 1.2000e-06
-axis_titles "DISTANCE, IN MILLIMETERS" "FREE PORE-WATER MOLALITY" "TOTAL MOLALITY"
-headings Hto_free Hto_tot
-plot_concentration_vs x
-initial_solutions true
10 IF cell_no = 3 THEN xval = 0 ELSE xval = get(14)
20 IF (1 = 0 OR cell_no > 4) THEN GOTO 60
30 IF (cell_no = 4) THEN xval = xval + 0.5 * 1.8000e-003
40 IF (cell_no > 4 AND cell_no < 5) THEN xval = xval + 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-03
50 GOTO 200
60 IF (cell_no = 5) THEN xval = xval + 0.5 * 1.8000e-003 + 0.5 * 1.7109e-003
70 IF (cell_no > 5 AND cell_no < 16) THEN xval = xval + 1.7109e-003 ELSE GOTO 90
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-03 ELSE GOTO 90
80 GOTO 200
90 IF (cell_no = 16) THEN xval = xval + 0.5 * 1.7109e-003 + 0.5 * 1.6000e-003
100 IF (cell_no > 16 AND cell_no <= 16) THEN xval = xval + 1.6000e-003
110 IF (cell_no = 17) THEN xval = xval + 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-03
110 IF (cell_no = 17) THEN xval = xval + 0.5 * 1.6000e-03
200 y1 = TOT("Hto")
210 plot_xy xval * 1e3, y1, color = Blue, symbol = Plus
220 IF cell_no = 3 THEN put(y1, 15)
230 IF (cell_no < 5 OR cell_no > 15) THEN GOTO 400
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
270 IF (cell_no > 6) THEN GOTO 400
280 IF 1 THEN plot_xy 1.8000e+000, get(15), color = Black, symbol = None
290 IF 1 THEN plot_xy 2.0620e+001, 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+01, get(15), color = Black, symbol = None
300 put(0, 15)
400 put(xval, 14)
END