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iphreeqc/ex15.out
David L Parkhurst 93683e57ef No memory leak check in output files. 
git-svn-id: svn://136.177.114.72/svn_GW/phreeqcpp/trunk@2205 1feff8c3-07ed-0310-ac33-dd36852eb9cd
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Input file: ../examples/ex15
Output file: ex15.out
Database file: ../examples/ex15.dat
------------------
Reading data base.
------------------
SOLUTION_MASTER_SPECIES
SOLUTION_SPECIES
END
------------------------------------
Reading input data for simulation 1.
------------------------------------
TITLE Example 15.--1D Transport: Kinetic Biodegradation, Cell Growth, and Sorption
***********
PLEASE NOTE: This problem requires database file ex15.dat!!
***********
SOLUTION 0 Pulse solution with NTA and cobalt
units umol/L
pH 6
C .49
O(0) 62.5
Nta 5.23
Co 5.23
Na 1000
Cl 1000
END
-----
TITLE
-----
Example 15.--1D Transport: Kinetic Biodegradation, Cell Growth, and Sorption
***********
PLEASE NOTE: This problem requires database file ex15.dat!!
***********
-------------------------------------------
Beginning of initial solution calculations.
-------------------------------------------
Initial solution 0. Pulse solution with NTA and cobalt
-----------------------------Solution composition------------------------------
Elements Molality Moles
C 4.900e-07 4.900e-07
Cl 1.000e-03 1.000e-03
Co 5.230e-06 5.230e-06
Na 1.000e-03 1.000e-03
Nta 5.230e-06 5.230e-06
O(0) 6.250e-05 6.250e-05
----------------------------Description of solution----------------------------
pH = 6.000
pe = 4.000
Activity of water = 1.000
Ionic strength = 1.005e-03
Mass of water (kg) = 1.000e+00
Total alkalinity (eq/kg) = 1.539e-05
Total CO2 (mol/kg) = 4.900e-07
Temperature (deg C) = 25.000
Electrical balance (eq) = -3.954e-06
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.20
Iterations = 6
Total H = 1.110124e+02
Total O = 5.550628e+01
---------------------------------Redox couples---------------------------------
Redox couple pe Eh (volts)
O(-2)/O(0) 14.3937 0.8515
----------------------------Distribution of species----------------------------
Log Log Log
Species Molality Activity Molality Activity Gamma
H+ 1.000e-06 1.000e-06 -6.000 -6.000 0.000
OH- 1.000e-08 1.000e-08 -8.000 -8.000 0.000
H2O 5.551e+01 1.000e+00 1.744 0.000 0.000
C 4.900e-07
CO2 3.387e-07 3.387e-07 -6.470 -6.470 0.000
HCO3- 1.513e-07 1.513e-07 -6.820 -6.820 0.000
CO3-2 7.077e-12 7.077e-12 -11.150 -11.150 0.000
Cl 1.000e-03
Cl- 1.000e-03 1.000e-03 -3.000 -3.000 0.000
Co 5.230e-06
CoNta- 4.793e-06 4.793e-06 -5.319 -5.319 0.000
Co+2 4.370e-07 4.370e-07 -6.360 -6.360 0.000
CoOH+ 8.719e-11 8.719e-11 -10.060 -10.060 0.000
CoOHNta-2 3.024e-11 3.024e-11 -10.519 -10.519 0.000
CoNta2-4 6.618e-14 6.618e-14 -13.179 -13.179 0.000
Co(OH)2 5.501e-18 5.501e-18 -17.260 -17.260 0.000
Co(OH)3- 1.382e-20 1.382e-20 -19.860 -19.860 0.000
H(0) 1.416e-23
H2 7.079e-24 7.079e-24 -23.150 -23.150 0.000
Na 1.000e-03
Na+ 1.000e-03 1.000e-03 -3.000 -3.000 0.000
Nta 5.230e-06
CoNta- 4.793e-06 4.793e-06 -5.319 -5.319 0.000
HNta-2 4.366e-07 4.366e-07 -6.360 -6.360 0.000
H2Nta- 4.366e-10 4.366e-10 -9.360 -9.360 0.000
CoOHNta-2 3.024e-11 3.024e-11 -10.519 -10.519 0.000
Nta-3 2.188e-11 2.188e-11 -10.660 -10.660 0.000
CoNta2-4 6.618e-14 6.618e-14 -13.179 -13.179 0.000
H3Nta 1.738e-14 1.738e-14 -13.760 -13.760 0.000
O(0) 6.250e-05
O2 3.125e-05 3.125e-05 -4.505 -4.505 0.000
------------------------------Saturation indices-------------------------------
Phase SI log IAP log KT
------------------
End of simulation.
------------------
------------------------------------
Reading input data for simulation 2.
------------------------------------
SOLUTION 1-10 Background solution initially filling column # 1-20
units umol/L
pH 6
C .49
O(0) 62.5
Na 1000
Cl 1000
END
-------------------------------------------
Beginning of initial solution calculations.
-------------------------------------------
Initial solution 1. Background solution initially filling column
-----------------------------Solution composition------------------------------
Elements Molality Moles
C 4.900e-07 4.900e-07
Cl 1.000e-03 1.000e-03
Na 1.000e-03 1.000e-03
O(0) 6.250e-05 6.250e-05
----------------------------Description of solution----------------------------
pH = 6.000
pe = 4.000
Activity of water = 1.000
Ionic strength = 1.001e-03
Mass of water (kg) = 1.000e+00
Total alkalinity (eq/kg) = 1.414e-07
Total CO2 (mol/kg) = 4.900e-07
Temperature (deg C) = 25.000
Electrical balance (eq) = 8.387e-07
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.04
Iterations = 4
Total H = 1.110124e+02
Total O = 5.550628e+01
---------------------------------Redox couples---------------------------------
Redox couple pe Eh (volts)
O(-2)/O(0) 14.3937 0.8515
----------------------------Distribution of species----------------------------
Log Log Log
Species Molality Activity Molality Activity Gamma
H+ 1.000e-06 1.000e-06 -6.000 -6.000 0.000
OH- 1.000e-08 1.000e-08 -8.000 -8.000 0.000
H2O 5.551e+01 1.000e+00 1.744 0.000 0.000
C 4.900e-07
CO2 3.387e-07 3.387e-07 -6.470 -6.470 0.000
HCO3- 1.513e-07 1.513e-07 -6.820 -6.820 0.000
CO3-2 7.077e-12 7.077e-12 -11.150 -11.150 0.000
Cl 1.000e-03
Cl- 1.000e-03 1.000e-03 -3.000 -3.000 0.000
H(0) 1.416e-23
H2 7.079e-24 7.079e-24 -23.150 -23.150 0.000
Na 1.000e-03
Na+ 1.000e-03 1.000e-03 -3.000 -3.000 0.000
O(0) 6.250e-05
O2 3.125e-05 3.125e-05 -4.505 -4.505 0.000
------------------------------Saturation indices-------------------------------
Phase SI log IAP log KT
------------------
End of simulation.
------------------
------------------------------------
Reading input data for simulation 3.
------------------------------------
RATES Rate expressions for the four kinetic reactions
HNTA-2
start
10 Ks = 7.64e-7
20 Ka = 6.25e-6
30 qm = 1.407e-3/3600
40 f1 = MOL("HNta-2")/(Ks + MOL("HNta-2"))
50 f2 = MOL("O2")/(Ka + MOL("O2"))
60 rate = -qm * KIN("Biomass") * f1 * f2
70 moles = rate * TIME
80 PUT(rate, 1) # save the rate for use in Biomass rate calculation
90 SAVE moles
end
Biomass
start
10 Y = 65.14
20 b = 0.00208/3600
30 rate = GET(1) # uses rate calculated in HTNA-2 rate calculation
40 rate = -Y*rate -b*M
50 moles = -rate * TIME
60 if (M + moles) < 0 then moles = -M
70 SAVE moles
end
Co_sorption
start
10 km = 1/3600
20 kd = 5.07e-3
30 solids = 3.75e3
40 rate = -km*(MOL("Co+2") - (M/solids)/kd)
50 moles = rate * TIME
60 if (M - moles) < 0 then moles = M
70 SAVE moles
end
CoNta_sorption
start
10 km = 1/3600
20 kd = 5.33e-4
30 solids = 3.75e3
40 rate = -km*(MOL("CoNta-") - (M/solids)/kd)
50 moles = rate * TIME
60 if (M - moles) < 0 then moles = M
70 SAVE moles
end
KINETICS 1-10 Four kinetic reactions for all cells # 1-20
HNTA-2
formula C -3.12 H -1.968 O -4.848 N -0.424 Nta 1.
Biomass
formula H 0.0
m 1.36e-4
Co_sorption
formula CoCl2
m 0.0
tol 1e-11
CoNta_sorption
formula NaCoNta
m 0.0
tol 1e-11
SELECTED_OUTPUT
file ex15.sel
molalities Nta-3 CoNta- HNta-2 Co+2
USER_PUNCH
heading hours Co_sorb CoNta_sorb Biomass
start
10 punch TOTAL_TIME/3600 + 1800/3600 # TOTAL_TIME/3600 + 900/3600
20 punch KIN("Co_sorption")/3.75e3
30 punch KIN("CoNta_sorption")/3.75e3
40 punch KIN("Biomass")
end
TRANSPORT First 20 hours have NTA and cobalt in infilling solution
cells 10 # 20
length 1 # 0.5
shifts 20 # 40
time_step 3600 # 1800
flow_direction forward
boundary_conditions flux flux
dispersivity .05
correct_disp true
diffusion_coefficient 0.0e-9
punch_cells 10 # 20
punch_frequency 1 # 2
print_cells 10 # 20
print_frequency 5 # 10
END
WARNING: Cell-lengths were read for 1 cells. Last value is used till cell 10.
WARNING: Dispersivities were read for 1 cells. Last value is used till cell 10.
------------------------------------
Beginning of transport calculations.
------------------------------------
-------------------------------
Equilibrating initial solutions
-------------------------------
Using solution 10. Background solution initially filling column
-----------------------------Solution composition------------------------------
Elements Molality Moles
C 4.900e-07 4.900e-07
Cl 1.000e-03 1.000e-03
Na 1.000e-03 1.000e-03
----------------------------Description of solution----------------------------
pH = 6.000 Charge balance
pe = 14.394 Adjusted to redox equilibrium
Activity of water = 1.000
Ionic strength = 1.001e-03
Mass of water (kg) = 1.000e+00
Total alkalinity (eq/kg) = 1.414e-07
Total CO2 (mol/kg) = 4.900e-07
Temperature (deg C) = 25.000
Electrical balance (eq) = 8.387e-07
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.04
Iterations = 10
Total H = 1.110124e+02
Total O = 5.550628e+01
----------------------------Distribution of species----------------------------
Log Log Log
Species Molality Activity Molality Activity Gamma
H+ 1.000e-06 1.000e-06 -6.000 -6.000 0.000
OH- 1.000e-08 1.000e-08 -8.000 -8.000 0.000
H2O 5.551e+01 1.000e+00 1.744 0.000 0.000
C 4.900e-07
CO2 3.387e-07 3.387e-07 -6.470 -6.470 0.000
HCO3- 1.513e-07 1.513e-07 -6.820 -6.820 0.000
CO3-2 7.077e-12 7.077e-12 -11.150 -11.150 0.000
Cl 1.000e-03
Cl- 1.000e-03 1.000e-03 -3.000 -3.000 0.000
H(0) 0.000e+00
H2 0.000e+00 0.000e+00 -43.937 -43.937 0.000
Na 1.000e-03
Na+ 1.000e-03 1.000e-03 -3.000 -3.000 0.000
O(0) 6.250e-05
O2 3.125e-05 3.125e-05 -4.505 -4.505 0.000
------------------------------Saturation indices-------------------------------
Phase SI log IAP log KT
Transport step 1.
Transport step 1. Mixrun 1.
Transport step 2.
Transport step 2. Mixrun 1.
Transport step 3.
Transport step 3. Mixrun 1.
Transport step 4.
Transport step 4. Mixrun 1.
Transport step 5.
Transport step 5. Mixrun 1.
Using mix 10.
Using kinetics 10. Kinetics defined in simulation 3.
Mixture 10.
6.000e-02 Solution 9 Solution after simulation 3.
0.000e+00 Solution 11 Solution after simulation 3.
9.400e-01 Solution 10 Solution after simulation 3.
Kinetics 10. Kinetics defined in simulation 3.
Time: 18000 seconds
Time step: 3600 seconds
Rate name Delta Moles Total Moles Reactant Coefficient
HNTA-2 9.570e-14 1.000e+00 C -3.12
H -1.968
O -4.848
N -0.424
Nta 1
Biomass -2.804e-07 1.346e-04 H 0
Co_sorption 2.317e-14 2.317e-14 CoCl2 1
CoNta_sorption 5.391e-19 5.391e-19 NaCoNta 1
-----------------------------Solution composition------------------------------
Elements Molality Moles
C 4.900e-07 4.900e-07
Cl 1.000e-03 1.000e-03
Co 2.318e-14 2.318e-14
N 4.652e-13 4.652e-13
Na 1.000e-03 1.000e-03
Nta 8.316e-13 8.316e-13
----------------------------Description of solution----------------------------
pH = 6.000 Charge balance
pe = 14.394 Adjusted to redox equilibrium
Activity of water = 1.000
Ionic strength = 1.001e-03
Mass of water (kg) = 1.000e+00
Total alkalinity (eq/kg) = 1.414e-07
Total CO2 (mol/kg) = 4.900e-07
Temperature (deg C) = 25.000
Electrical balance (eq) = 8.387e-07
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.04
Iterations = 10
Total H = 1.110124e+02
Total O = 5.550628e+01
----------------------------Distribution of species----------------------------
Log Log Log
Species Molality Activity Molality Activity Gamma
H+ 1.000e-06 1.000e-06 -6.000 -6.000 0.000
OH- 1.000e-08 1.000e-08 -8.000 -8.000 0.000
H2O 5.551e+01 1.000e+00 1.744 0.000 0.000
C 4.900e-07
CO2 3.387e-07 3.387e-07 -6.470 -6.470 0.000
HCO3- 1.513e-07 1.513e-07 -6.820 -6.820 0.000
CO3-2 7.077e-12 7.077e-12 -11.150 -11.150 0.000
Cl 1.000e-03
Cl- 1.000e-03 1.000e-03 -3.000 -3.000 0.000
Co 2.318e-14
Co+2 2.317e-14 2.317e-14 -13.635 -13.635 0.000
CoOH+ 4.623e-18 4.623e-18 -17.335 -17.335 0.000
CoNta- 4.836e-19 4.836e-19 -18.316 -18.316 0.000
CoOHNta-2 3.051e-24 3.051e-24 -23.516 -23.516 0.000
Co(OH)2 2.917e-25 2.917e-25 -24.535 -24.535 0.000
Co(OH)3- 7.327e-28 7.327e-28 -27.135 -27.135 0.000
CoNta2-4 1.270e-32 1.270e-32 -31.896 -31.896 0.000
H(0) 0.000e+00
H2 0.000e+00 0.000e+00 -43.937 -43.937 0.000
N 4.652e-13
NH4+ 4.649e-13 4.649e-13 -12.333 -12.333 0.000
NH3 2.330e-16 2.330e-16 -15.633 -15.633 0.000
Na 1.000e-03
Na+ 1.000e-03 1.000e-03 -3.000 -3.000 0.000
Nta 8.316e-13
HNta-2 8.308e-13 8.308e-13 -12.081 -12.081 0.000
H2Nta- 8.308e-16 8.308e-16 -15.081 -15.081 0.000
Nta-3 4.164e-17 4.164e-17 -16.381 -16.381 0.000
CoNta- 4.836e-19 4.836e-19 -18.316 -18.316 0.000
H3Nta 3.307e-20 3.307e-20 -19.481 -19.481 0.000
CoOHNta-2 3.051e-24 3.051e-24 -23.516 -23.516 0.000
CoNta2-4 1.270e-32 1.270e-32 -31.896 -31.896 0.000
O(0) 6.250e-05
O2 3.125e-05 3.125e-05 -4.505 -4.505 0.000
------------------------------Saturation indices-------------------------------
Phase SI log IAP log KT
Transport step 6.
Transport step 6. Mixrun 1.
Transport step 7.
Transport step 7. Mixrun 1.
Transport step 8.
Transport step 8. Mixrun 1.
Transport step 9.
Transport step 9. Mixrun 1.
Transport step 10.
Transport step 10. Mixrun 1.
Using mix 10.
Using kinetics 10. Kinetics defined in simulation 3.
Mixture 10.
6.000e-02 Solution 9 Solution after simulation 3.
0.000e+00 Solution 11 Solution after simulation 3.
9.400e-01 Solution 10 Solution after simulation 3.
Kinetics 10. Kinetics defined in simulation 3.
Time: 36000 seconds
Time step: 3600 seconds
Rate name Delta Moles Total Moles Reactant Coefficient
HNTA-2 2.135e-08 1.000e+00 C -3.12
H -1.968
O -4.848
N -0.424
Nta 1
Biomass 1.110e-06 1.356e-04 H 0
Co_sorption 1.871e-09 3.691e-09 CoCl2 1
CoNta_sorption 7.149e-09 9.228e-09 NaCoNta 1
-----------------------------Solution composition------------------------------
Elements Molality Moles
C 1.541e-06 1.541e-06
Cl 9.992e-04 9.992e-04
Co 9.656e-09 9.656e-09
N 1.429e-07 1.429e-07
Na 9.967e-04 9.967e-04
Nta 1.196e-07 1.196e-07
----------------------------Description of solution----------------------------
pH = 6.237 Charge balance
pe = 14.155 Adjusted to redox equilibrium
Activity of water = 1.000
Ionic strength = 9.989e-04
Mass of water (kg) = 1.000e+00
Total alkalinity (eq/kg) = 3.439e-06
Total CO2 (mol/kg) = 1.541e-06
Temperature (deg C) = 25.000
Electrical balance (eq) = -2.646e-06
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.13
Iterations = 25
Total H = 1.110124e+02
Total O = 5.550628e+01
----------------------------Distribution of species----------------------------
Log Log Log
Species Molality Activity Molality Activity Gamma
H+ 5.796e-07 5.796e-07 -6.237 -6.237 0.000
OH- 1.725e-08 1.725e-08 -7.763 -7.763 0.000
H2O 5.551e+01 1.000e+00 1.744 0.000 0.000
C 1.541e-06
CO2 8.705e-07 8.705e-07 -6.060 -6.060 0.000
HCO3- 6.709e-07 6.709e-07 -6.173 -6.173 0.000
CO3-2 5.414e-11 5.414e-11 -10.266 -10.266 0.000
Cl 9.992e-04
Cl- 9.992e-04 9.992e-04 -3.000 -3.000 0.000
Co 9.656e-09
CoNta- 8.000e-09 8.000e-09 -8.097 -8.097 0.000
Co+2 1.655e-09 1.655e-09 -8.781 -8.781 0.000
CoOH+ 5.698e-13 5.698e-13 -12.244 -12.244 0.000
CoOHNta-2 8.710e-14 8.710e-14 -13.060 -13.060 0.000
CoNta2-4 4.869e-17 4.869e-17 -16.313 -16.313 0.000
Co(OH)2 6.203e-20 6.203e-20 -19.207 -19.207 0.000
Co(OH)3- 2.688e-22 2.688e-22 -21.571 -21.571 0.000
H(0) 0.000e+00
H2 0.000e+00 0.000e+00 -43.934 -43.934 0.000
N 1.429e-07
NH4+ 1.428e-07 1.428e-07 -6.845 -6.845 0.000
NH3 1.235e-10 1.235e-10 -9.908 -9.908 0.000
Na 9.967e-04
Na+ 9.967e-04 9.967e-04 -3.001 -3.001 0.000
Nta 1.196e-07
HNta-2 1.115e-07 1.115e-07 -6.953 -6.953 0.000
CoNta- 8.000e-09 8.000e-09 -8.097 -8.097 0.000
H2Nta- 6.464e-11 6.464e-11 -10.190 -10.190 0.000
Nta-3 9.645e-12 9.645e-12 -11.016 -11.016 0.000
CoOHNta-2 8.710e-14 8.710e-14 -13.060 -13.060 0.000
H3Nta 1.491e-15 1.491e-15 -14.826 -14.826 0.000
CoNta2-4 4.869e-17 4.869e-17 -16.313 -16.313 0.000
O(0) 6.141e-05
O2 3.071e-05 3.071e-05 -4.513 -4.513 0.000
------------------------------Saturation indices-------------------------------
Phase SI log IAP log KT
Transport step 11.
Transport step 11. Mixrun 1.
Transport step 12.
Transport step 12. Mixrun 1.
Transport step 13.
Transport step 13. Mixrun 1.
Transport step 14.
Transport step 14. Mixrun 1.
Transport step 15.
Transport step 15. Mixrun 1.
Using mix 10.
Using kinetics 10. Kinetics defined in simulation 3.
Mixture 10.
6.000e-02 Solution 9 Solution after simulation 3.
0.000e+00 Solution 11 Solution after simulation 3.
9.400e-01 Solution 10 Solution after simulation 3.
Kinetics 10. Kinetics defined in simulation 3.
Time: 54000 seconds
Time step: 3600 seconds
Rate name Delta Moles Total Moles Reactant Coefficient
HNTA-2 4.019e-08 1.000e+00 C -3.12
H -1.968
O -4.848
N -0.424
Nta 1
Biomass 2.318e-06 1.453e-04 H 0
Co_sorption 1.090e-08 3.661e-08 CoCl2 1
CoNta_sorption 9.432e-08 2.656e-07 NaCoNta 1
-----------------------------Solution composition------------------------------
Elements Molality Moles
C 2.330e-06 2.330e-06
Cl 9.985e-04 9.985e-04
Co 1.862e-07 1.862e-07
N 2.500e-07 2.500e-07
Na 9.958e-04 9.958e-04
Nta 4.001e-07 4.001e-07
----------------------------Description of solution----------------------------
pH = 6.448 Charge balance
pe = 13.942 Adjusted to redox equilibrium
Activity of water = 1.000
Ionic strength = 9.987e-04
Mass of water (kg) = 1.000e+00
Total alkalinity (eq/kg) = 6.603e-06
Total CO2 (mol/kg) = 2.330e-06
Temperature (deg C) = 25.000
Electrical balance (eq) = -3.954e-06
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.20
Iterations = 21
Total H = 1.110124e+02
Total O = 5.550628e+01
----------------------------Distribution of species----------------------------
Log Log Log
Species Molality Activity Molality Activity Gamma
H+ 3.564e-07 3.564e-07 -6.448 -6.448 0.000
OH- 2.806e-08 2.806e-08 -7.552 -7.552 0.000
H2O 5.551e+01 1.000e+00 1.744 0.000 0.000
C 2.330e-06
HCO3- 1.296e-06 1.296e-06 -5.887 -5.887 0.000
CO2 1.034e-06 1.034e-06 -5.985 -5.985 0.000
CO3-2 1.700e-10 1.700e-10 -9.769 -9.769 0.000
Cl 9.985e-04
Cl- 9.985e-04 9.985e-04 -3.001 -3.001 0.000
Co 1.862e-07
CoNta- 1.751e-07 1.751e-07 -6.757 -6.757 0.000
Co+2 1.105e-08 1.105e-08 -7.957 -7.957 0.000
CoOH+ 6.187e-12 6.187e-12 -11.209 -11.209 0.000
CoOHNta-2 3.100e-12 3.100e-12 -11.509 -11.509 0.000
CoNta2-4 3.494e-15 3.494e-15 -14.457 -14.457 0.000
Co(OH)2 1.095e-18 1.095e-18 -17.960 -17.960 0.000
Co(OH)3- 7.718e-21 7.718e-21 -20.112 -20.112 0.000
H(0) 0.000e+00
H2 0.000e+00 0.000e+00 -43.931 -43.931 0.000
N 2.500e-07
NH4+ 2.497e-07 2.497e-07 -6.603 -6.603 0.000
NH3 3.511e-10 3.511e-10 -9.455 -9.455 0.000
Na 9.958e-04
Na+ 9.958e-04 9.958e-04 -3.002 -3.002 0.000
Nta 4.001e-07
HNta-2 2.249e-07 2.249e-07 -6.648 -6.648 0.000
CoNta- 1.751e-07 1.751e-07 -6.757 -6.757 0.000
H2Nta- 8.014e-11 8.014e-11 -10.096 -10.096 0.000
Nta-3 3.162e-11 3.162e-11 -10.500 -10.500 0.000
CoOHNta-2 3.100e-12 3.100e-12 -11.509 -11.509 0.000
CoNta2-4 3.494e-15 3.494e-15 -14.457 -14.457 0.000
H3Nta 1.137e-15 1.137e-15 -14.944 -14.944 0.000
O(0) 6.059e-05
O2 3.030e-05 3.030e-05 -4.519 -4.519 0.000
------------------------------Saturation indices-------------------------------
Phase SI log IAP log KT
Transport step 16.
Transport step 16. Mixrun 1.
Transport step 17.
Transport step 17. Mixrun 1.
Transport step 18.
Transport step 18. Mixrun 1.
Transport step 19.
Transport step 19. Mixrun 1.
Transport step 20.
Transport step 20. Mixrun 1.
Using mix 10.
Using kinetics 10. Kinetics defined in simulation 3.
Mixture 10.
6.000e-02 Solution 9 Solution after simulation 3.
0.000e+00 Solution 11 Solution after simulation 3.
9.400e-01 Solution 10 Solution after simulation 3.
Kinetics 10. Kinetics defined in simulation 3.
Time: 72000 seconds
Time step: 3600 seconds
Rate name Delta Moles Total Moles Reactant Coefficient
HNTA-2 4.950e-08 1.000e+00 C -3.12
H -1.968
O -4.848
N -0.424
Nta 1
Biomass 2.897e-06 1.588e-04 H 0
Co_sorption 2.585e-08 1.347e-07 CoCl2 1
CoNta_sorption 2.379e-07 1.169e-06 NaCoNta 1
-----------------------------Solution composition------------------------------
Elements Molality Moles
C 2.638e-06 2.638e-06
Cl 9.982e-04 9.982e-04
Co 7.184e-07 7.184e-07
N 2.918e-07 2.918e-07
Na 9.965e-04 9.965e-04
Nta 9.571e-07 9.571e-07
----------------------------Description of solution----------------------------
pH = 6.540 Charge balance
pe = 13.850 Adjusted to redox equilibrium
Activity of water = 1.000
Ionic strength = 9.994e-04
Mass of water (kg) = 1.000e+00
Total alkalinity (eq/kg) = 9.227e-06
Total CO2 (mol/kg) = 2.638e-06
Temperature (deg C) = 25.000
Electrical balance (eq) = -3.954e-06
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.20
Iterations = 51
Total H = 1.110124e+02
Total O = 5.550628e+01
----------------------------Distribution of species----------------------------
Log Log Log
Species Molality Activity Molality Activity Gamma
H+ 2.887e-07 2.887e-07 -6.540 -6.540 0.000
OH- 3.464e-08 3.464e-08 -7.460 -7.460 0.000
H2O 5.551e+01 1.000e+00 1.744 0.000 0.000
C 2.638e-06
HCO3- 1.602e-06 1.602e-06 -5.795 -5.795 0.000
CO2 1.035e-06 1.035e-06 -5.985 -5.985 0.000
CO3-2 2.596e-10 2.596e-10 -9.586 -9.586 0.000
Cl 9.982e-04
Cl- 9.982e-04 9.982e-04 -3.001 -3.001 0.000
Co 7.184e-07
CoNta- 6.888e-07 6.888e-07 -6.162 -6.162 0.000
Co+2 2.952e-08 2.952e-08 -7.530 -7.530 0.000
CoOH+ 2.040e-11 2.040e-11 -10.690 -10.690 0.000
CoOHNta-2 1.505e-11 1.505e-11 -10.822 -10.822 0.000
CoNta2-4 2.024e-14 2.024e-14 -13.694 -13.694 0.000
Co(OH)2 4.459e-18 4.459e-18 -17.351 -17.351 0.000
Co(OH)3- 3.880e-20 3.880e-20 -19.411 -19.411 0.000
H(0) 0.000e+00
H2 0.000e+00 0.000e+00 -43.930 -43.930 0.000
N 2.918e-07
NH4+ 2.913e-07 2.913e-07 -6.536 -6.536 0.000
NH3 5.058e-10 5.058e-10 -9.296 -9.296 0.000
Na 9.965e-04
Na+ 9.965e-04 9.965e-04 -3.002 -3.002 0.000
Nta 9.571e-07
CoNta- 6.888e-07 6.888e-07 -6.162 -6.162 0.000
HNta-2 2.682e-07 2.682e-07 -6.572 -6.572 0.000
H2Nta- 7.742e-11 7.742e-11 -10.111 -10.111 0.000
Nta-3 4.656e-11 4.656e-11 -10.332 -10.332 0.000
CoOHNta-2 1.505e-11 1.505e-11 -10.822 -10.822 0.000
CoNta2-4 2.024e-14 2.024e-14 -13.694 -13.694 0.000
H3Nta 8.897e-16 8.897e-16 -15.051 -15.051 0.000
O(0) 6.027e-05
O2 3.014e-05 3.014e-05 -4.521 -4.521 0.000
------------------------------Saturation indices-------------------------------
Phase SI log IAP log KT
------------------
End of simulation.
------------------
------------------------------------
Reading input data for simulation 4.
------------------------------------
PRINT
selected_output false
SOLUTION 0 New infilling solution, same as background solution
units umol/L
pH 6
C .49
O(0) 62.5
Na 1000
Cl 1000
END
-------------------------------------------
Beginning of initial solution calculations.
-------------------------------------------
Initial solution 0. New infilling solution, same as background solution
-----------------------------Solution composition------------------------------
Elements Molality Moles
C 4.900e-07 4.900e-07
Cl 1.000e-03 1.000e-03
Na 1.000e-03 1.000e-03
O(0) 6.250e-05 6.250e-05
----------------------------Description of solution----------------------------
pH = 6.000
pe = 4.000
Activity of water = 1.000
Ionic strength = 1.001e-03
Mass of water (kg) = 1.000e+00
Total alkalinity (eq/kg) = 1.414e-07
Total CO2 (mol/kg) = 4.900e-07
Temperature (deg C) = 25.000
Electrical balance (eq) = 8.387e-07
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.04
Iterations = 4
Total H = 1.110124e+02
Total O = 5.550628e+01
---------------------------------Redox couples---------------------------------
Redox couple pe Eh (volts)
O(-2)/O(0) 14.3937 0.8515
----------------------------Distribution of species----------------------------
Log Log Log
Species Molality Activity Molality Activity Gamma
H+ 1.000e-06 1.000e-06 -6.000 -6.000 0.000
OH- 1.000e-08 1.000e-08 -8.000 -8.000 0.000
H2O 5.551e+01 1.000e+00 1.744 0.000 0.000
C 4.900e-07
CO2 3.387e-07 3.387e-07 -6.470 -6.470 0.000
HCO3- 1.513e-07 1.513e-07 -6.820 -6.820 0.000
CO3-2 7.077e-12 7.077e-12 -11.150 -11.150 0.000
Cl 1.000e-03
Cl- 1.000e-03 1.000e-03 -3.000 -3.000 0.000
H(0) 1.416e-23
H2 7.079e-24 7.079e-24 -23.150 -23.150 0.000
Na 1.000e-03
Na+ 1.000e-03 1.000e-03 -3.000 -3.000 0.000
O(0) 6.250e-05
O2 3.125e-05 3.125e-05 -4.505 -4.505 0.000
------------------------------Saturation indices-------------------------------
Phase SI log IAP log KT
------------------
End of simulation.
------------------
------------------------------------
Reading input data for simulation 5.
------------------------------------
PRINT
selected_output true
TRANSPORT Last 55 hours with background infilling solution
shifts 55 # 110
END
------------------------------------
Column data retained from former run
------------------------------------
------------------------------------
Beginning of transport calculations.
------------------------------------
-------------------------------
Equilibrating initial solutions
-------------------------------
Using solution 10. Solution after simulation 3.
-----------------------------Solution composition------------------------------
Elements Molality Moles
C 2.638e-06 2.638e-06
Cl 9.982e-04 9.982e-04
Co 7.184e-07 7.184e-07
N 2.918e-07 2.918e-07
Na 9.965e-04 9.965e-04
Nta 9.571e-07 9.571e-07
----------------------------Description of solution----------------------------
pH = 6.540 Charge balance
pe = 13.850 Adjusted to redox equilibrium
Activity of water = 1.000
Ionic strength = 9.994e-04
Mass of water (kg) = 1.000e+00
Total alkalinity (eq/kg) = 9.227e-06
Total CO2 (mol/kg) = 2.638e-06
Temperature (deg C) = 25.000
Electrical balance (eq) = -3.954e-06
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.20
Iterations = 0
Total H = 1.110124e+02
Total O = 5.550628e+01
----------------------------Distribution of species----------------------------
Log Log Log
Species Molality Activity Molality Activity Gamma
H+ 2.887e-07 2.887e-07 -6.540 -6.540 0.000
OH- 3.464e-08 3.464e-08 -7.460 -7.460 0.000
H2O 5.551e+01 1.000e+00 1.744 0.000 0.000
C 2.638e-06
HCO3- 1.602e-06 1.602e-06 -5.795 -5.795 0.000
CO2 1.035e-06 1.035e-06 -5.985 -5.985 0.000
CO3-2 2.596e-10 2.596e-10 -9.586 -9.586 0.000
Cl 9.982e-04
Cl- 9.982e-04 9.982e-04 -3.001 -3.001 0.000
Co 7.184e-07
CoNta- 6.888e-07 6.888e-07 -6.162 -6.162 0.000
Co+2 2.952e-08 2.952e-08 -7.530 -7.530 0.000
CoOH+ 2.040e-11 2.040e-11 -10.690 -10.690 0.000
CoOHNta-2 1.505e-11 1.505e-11 -10.822 -10.822 0.000
CoNta2-4 2.024e-14 2.024e-14 -13.694 -13.694 0.000
Co(OH)2 4.459e-18 4.459e-18 -17.351 -17.351 0.000
Co(OH)3- 3.880e-20 3.880e-20 -19.411 -19.411 0.000
H(0) 0.000e+00
H2 0.000e+00 0.000e+00 -43.930 -43.930 0.000
N 2.918e-07
NH4+ 2.913e-07 2.913e-07 -6.536 -6.536 0.000
NH3 5.058e-10 5.058e-10 -9.296 -9.296 0.000
Na 9.965e-04
Na+ 9.965e-04 9.965e-04 -3.002 -3.002 0.000
Nta 9.571e-07
CoNta- 6.888e-07 6.888e-07 -6.162 -6.162 0.000
HNta-2 2.682e-07 2.682e-07 -6.572 -6.572 0.000
H2Nta- 7.742e-11 7.742e-11 -10.111 -10.111 0.000
Nta-3 4.656e-11 4.656e-11 -10.332 -10.332 0.000
CoOHNta-2 1.505e-11 1.505e-11 -10.822 -10.822 0.000
CoNta2-4 2.024e-14 2.024e-14 -13.694 -13.694 0.000
H3Nta 8.897e-16 8.897e-16 -15.051 -15.051 0.000
O(0) 6.027e-05
O2 3.014e-05 3.014e-05 -4.521 -4.521 0.000
------------------------------Saturation indices-------------------------------
Phase SI log IAP log KT
Transport step 1.
Transport step 1. Mixrun 1.
Transport step 2.
Transport step 2. Mixrun 1.
Transport step 3.
Transport step 3. Mixrun 1.
Transport step 4.
Transport step 4. Mixrun 1.
Transport step 5.
Transport step 5. Mixrun 1.
Using mix 10.
Using kinetics 10. Kinetics defined in simulation 3.
Mixture 10.
6.000e-02 Solution 9 Solution after simulation 5.
0.000e+00 Solution 11 Solution after simulation 5.
9.400e-01 Solution 10 Solution after simulation 5.
Kinetics 10. Kinetics defined in simulation 3.
Time: 90000 seconds
Time step: 3600 seconds
Rate name Delta Moles Total Moles Reactant Coefficient
HNTA-2 5.582e-08 1.000e+00 C -3.12
H -1.968
O -4.848
N -0.424
Nta 1
Biomass 3.276e-06 1.744e-04 H 0
Co_sorption 4.161e-08 3.117e-07 CoCl2 1
CoNta_sorption 3.270e-07 2.663e-06 NaCoNta 1
-----------------------------Solution composition------------------------------
Elements Molality Moles
C 2.855e-06 2.855e-06
Cl 9.981e-04 9.981e-04
Co 1.525e-06 1.525e-06
N 3.213e-07 3.213e-07
Na 9.973e-04 9.973e-04
Nta 1.754e-06 1.754e-06
----------------------------Description of solution----------------------------
pH = 6.593 Charge balance
pe = 13.797 Adjusted to redox equilibrium
Activity of water = 1.000
Ionic strength = 1.000e-03
Mass of water (kg) = 1.000e+00
Total alkalinity (eq/kg) = 1.229e-05
Total CO2 (mol/kg) = 2.855e-06
Temperature (deg C) = 25.000
Electrical balance (eq) = -3.954e-06
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.20
Iterations = 49
Total H = 1.110124e+02
Total O = 5.550628e+01
----------------------------Distribution of species----------------------------
Log Log Log
Species Molality Activity Molality Activity Gamma
H+ 2.555e-07 2.555e-07 -6.593 -6.593 0.000
OH- 3.914e-08 3.914e-08 -7.407 -7.407 0.000
H2O 5.551e+01 1.000e+00 1.744 0.000 0.000
C 2.855e-06
HCO3- 1.816e-06 1.816e-06 -5.741 -5.741 0.000
CO2 1.039e-06 1.039e-06 -5.984 -5.984 0.000
CO3-2 3.324e-10 3.324e-10 -9.478 -9.478 0.000
Cl 9.981e-04
Cl- 9.981e-04 9.981e-04 -3.001 -3.001 0.000
Co 1.525e-06
CoNta- 1.472e-06 1.472e-06 -5.832 -5.832 0.000
Co+2 5.314e-08 5.314e-08 -7.275 -7.275 0.000
CoOH+ 4.150e-11 4.150e-11 -10.382 -10.382 0.000
CoOHNta-2 3.634e-11 3.634e-11 -10.440 -10.440 0.000
CoNta2-4 5.131e-14 5.131e-14 -13.290 -13.290 0.000
Co(OH)2 1.025e-17 1.025e-17 -16.989 -16.989 0.000
Co(OH)3- 1.008e-19 1.008e-19 -18.997 -18.997 0.000
H(0) 0.000e+00
H2 0.000e+00 0.000e+00 -43.929 -43.929 0.000
N 3.213e-07
NH4+ 3.207e-07 3.207e-07 -6.494 -6.494 0.000
NH3 6.291e-10 6.291e-10 -9.201 -9.201 0.000
Na 9.973e-04
Na+ 9.973e-04 9.973e-04 -3.001 -3.001 0.000
Nta 1.754e-06
CoNta- 1.472e-06 1.472e-06 -5.832 -5.832 0.000
HNta-2 2.817e-07 2.817e-07 -6.550 -6.550 0.000
H2Nta- 7.197e-11 7.197e-11 -10.143 -10.143 0.000
Nta-3 5.526e-11 5.526e-11 -10.258 -10.258 0.000
CoOHNta-2 3.634e-11 3.634e-11 -10.440 -10.440 0.000
CoNta2-4 5.131e-14 5.131e-14 -13.290 -13.290 0.000
H3Nta 7.320e-16 7.320e-16 -15.136 -15.136 0.000
O(0) 6.005e-05
O2 3.002e-05 3.002e-05 -4.523 -4.523 0.000
------------------------------Saturation indices-------------------------------
Phase SI log IAP log KT
Transport step 6.
Transport step 6. Mixrun 1.
Transport step 7.
Transport step 7. Mixrun 1.
Transport step 8.
Transport step 8. Mixrun 1.
Transport step 9.
Transport step 9. Mixrun 1.
Transport step 10.
Transport step 10. Mixrun 1.
Using mix 10.
Using kinetics 10. Kinetics defined in simulation 3.
Mixture 10.
6.000e-02 Solution 9 Solution after simulation 5.
0.000e+00 Solution 11 Solution after simulation 5.
9.400e-01 Solution 10 Solution after simulation 5.
Kinetics 10. Kinetics defined in simulation 3.
Time: 108000 seconds
Time step: 3600 seconds
Rate name Delta Moles Total Moles Reactant Coefficient
HNTA-2 5.493e-08 1.000e+00 C -3.12
H -1.968
O -4.848
N -0.424
Nta 1
Biomass 3.184e-06 1.911e-04 H 0
Co_sorption 5.379e-08 5.596e-07 CoCl2 1
CoNta_sorption 3.109e-07 4.300e-06 NaCoNta 1
-----------------------------Solution composition------------------------------
Elements Molality Moles
C 2.617e-06 2.617e-06
Cl 9.984e-04 9.984e-04
Co 2.356e-06 2.356e-06
N 2.891e-07 2.891e-07
Na 1.002e-03 1.002e-03
Nta 2.524e-06 2.524e-06
----------------------------Description of solution----------------------------
pH = 6.680 Charge balance
pe = 13.710 Adjusted to redox equilibrium
Activity of water = 1.000
Ionic strength = 1.003e-03
Mass of water (kg) = 1.000e+00
Total alkalinity (eq/kg) = 1.418e-05
Total CO2 (mol/kg) = 2.617e-06
Temperature (deg C) = 25.000
Electrical balance (eq) = -4.697e-07
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.02
Iterations = 47
Total H = 1.110124e+02
Total O = 5.550628e+01
----------------------------Distribution of species----------------------------
Log Log Log
Species Molality Activity Molality Activity Gamma
H+ 2.092e-07 2.092e-07 -6.680 -6.680 0.000
OH- 4.781e-08 4.781e-08 -7.321 -7.321 0.000
H2O 5.551e+01 1.000e+00 1.744 0.000 0.000
C 2.617e-06
HCO3- 1.782e-06 1.782e-06 -5.749 -5.749 0.000
CO2 8.346e-07 8.346e-07 -6.079 -6.079 0.000
CO3-2 3.985e-10 3.985e-10 -9.400 -9.400 0.000
Cl 9.984e-04
Cl- 9.984e-04 9.984e-04 -3.001 -3.001 0.000
Co 2.356e-06
CoNta- 2.278e-06 2.278e-06 -5.642 -5.642 0.000
Co+2 7.711e-08 7.711e-08 -7.113 -7.113 0.000
CoOH+ 7.356e-11 7.356e-11 -10.133 -10.133 0.000
CoOHNta-2 6.872e-11 6.872e-11 -10.163 -10.163 0.000
CoNta2-4 8.474e-14 8.474e-14 -13.072 -13.072 0.000
Co(OH)2 2.219e-17 2.219e-17 -16.654 -16.654 0.000
Co(OH)3- 2.664e-19 2.664e-19 -18.574 -18.574 0.000
H(0) 0.000e+00
H2 0.000e+00 0.000e+00 -43.930 -43.930 0.000
N 2.891e-07
NH4+ 2.884e-07 2.884e-07 -6.540 -6.540 0.000
NH3 6.910e-10 6.910e-10 -9.161 -9.161 0.000
Na 1.002e-03
Na+ 1.002e-03 1.002e-03 -2.999 -2.999 0.000
Nta 2.524e-06
CoNta- 2.278e-06 2.278e-06 -5.642 -5.642 0.000
HNta-2 2.460e-07 2.460e-07 -6.609 -6.609 0.000
CoOHNta-2 6.872e-11 6.872e-11 -10.163 -10.163 0.000
Nta-3 5.895e-11 5.895e-11 -10.230 -10.230 0.000
H2Nta- 5.146e-11 5.146e-11 -10.289 -10.289 0.000
CoNta2-4 8.474e-14 8.474e-14 -13.072 -13.072 0.000
H3Nta 4.285e-16 4.285e-16 -15.368 -15.368 0.000
O(0) 6.029e-05
O2 3.015e-05 3.015e-05 -4.521 -4.521 0.000
------------------------------Saturation indices-------------------------------
Phase SI log IAP log KT
Transport step 11.
Transport step 11. Mixrun 1.
Transport step 12.
Transport step 12. Mixrun 1.
Transport step 13.
Transport step 13. Mixrun 1.
Transport step 14.
Transport step 14. Mixrun 1.
Transport step 15.
Transport step 15. Mixrun 1.
Using mix 10.
Using kinetics 10. Kinetics defined in simulation 3.
Mixture 10.
6.000e-02 Solution 9 Solution after simulation 5.
0.000e+00 Solution 11 Solution after simulation 5.
9.400e-01 Solution 10 Solution after simulation 5.
Kinetics 10. Kinetics defined in simulation 3.
Time: 126000 seconds
Time step: 3600 seconds
Rate name Delta Moles Total Moles Reactant Coefficient
HNTA-2 5.701e-08 1.000e+00 C -3.12
H -1.968
O -4.848
N -0.424
Nta 1
Biomass 3.286e-06 2.072e-04 H 0
Co_sorption 6.691e-08 8.668e-07 CoCl2 1
CoNta_sorption 1.292e-07 5.375e-06 NaCoNta 1
-----------------------------Solution composition------------------------------
Elements Molality Moles
C 2.207e-06 2.207e-06
Cl 9.987e-04 9.987e-04
Co 2.833e-06 2.833e-06
N 2.334e-07 2.334e-07
Na 1.004e-03 1.004e-03
Nta 2.963e-06 2.963e-06
----------------------------Description of solution----------------------------
pH = 6.644 Charge balance
pe = 13.747 Adjusted to redox equilibrium
Activity of water = 1.000
Ionic strength = 1.004e-03
Mass of water (kg) = 1.000e+00
Total alkalinity (eq/kg) = 1.435e-05
Total CO2 (mol/kg) = 2.207e-06
Temperature (deg C) = 25.000
Electrical balance (eq) = 8.384e-07
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.04
Iterations = 18
Total H = 1.110124e+02
Total O = 5.550628e+01
----------------------------Distribution of species----------------------------
Log Log Log
Species Molality Activity Molality Activity Gamma
H+ 2.271e-07 2.271e-07 -6.644 -6.644 0.000
OH- 4.403e-08 4.403e-08 -7.356 -7.356 0.000
H2O 5.551e+01 1.000e+00 1.744 0.000 0.000
C 2.207e-06
HCO3- 1.463e-06 1.463e-06 -5.835 -5.835 0.000
CO2 7.440e-07 7.440e-07 -6.128 -6.128 0.000
CO3-2 3.013e-10 3.013e-10 -9.521 -9.521 0.000
Cl 9.987e-04
Cl- 9.987e-04 9.987e-04 -3.001 -3.001 0.000
Co 2.833e-06
CoNta- 2.728e-06 2.728e-06 -5.564 -5.564 0.000
Co+2 1.049e-07 1.049e-07 -6.979 -6.979 0.000
CoOH+ 9.212e-11 9.212e-11 -10.036 -10.036 0.000
CoOHNta-2 7.577e-11 7.577e-11 -10.120 -10.120 0.000
CoNta2-4 8.932e-14 8.932e-14 -13.049 -13.049 0.000
Co(OH)2 2.559e-17 2.559e-17 -16.592 -16.592 0.000
Co(OH)3- 2.830e-19 2.830e-19 -18.548 -18.548 0.000
H(0) 0.000e+00
H2 0.000e+00 0.000e+00 -43.931 -43.931 0.000
N 2.334e-07
NH4+ 2.329e-07 2.329e-07 -6.633 -6.633 0.000
NH3 5.139e-10 5.139e-10 -9.289 -9.289 0.000
Na 1.004e-03
Na+ 1.004e-03 1.004e-03 -2.998 -2.998 0.000
Nta 2.963e-06
CoNta- 2.728e-06 2.728e-06 -5.564 -5.564 0.000
HNta-2 2.352e-07 2.352e-07 -6.629 -6.629 0.000
CoOHNta-2 7.577e-11 7.577e-11 -10.120 -10.120 0.000
H2Nta- 5.342e-11 5.342e-11 -10.272 -10.272 0.000
Nta-3 5.190e-11 5.190e-11 -10.285 -10.285 0.000
CoNta2-4 8.932e-14 8.932e-14 -13.049 -13.049 0.000
H3Nta 4.830e-16 4.830e-16 -15.316 -15.316 0.000
O(0) 6.072e-05
O2 3.036e-05 3.036e-05 -4.518 -4.518 0.000
------------------------------Saturation indices-------------------------------
Phase SI log IAP log KT
Transport step 16.
Transport step 16. Mixrun 1.
Transport step 17.
Transport step 17. Mixrun 1.
Transport step 18.
Transport step 18. Mixrun 1.
Transport step 19.
Transport step 19. Mixrun 1.
Transport step 20.
Transport step 20. Mixrun 1.
Using mix 10.
Using kinetics 10. Kinetics defined in simulation 3.
Mixture 10.
6.000e-02 Solution 9 Solution after simulation 5.
0.000e+00 Solution 11 Solution after simulation 5.
9.400e-01 Solution 10 Solution after simulation 5.
Kinetics 10. Kinetics defined in simulation 3.
Time: 144000 seconds
Time step: 3600 seconds
Rate name Delta Moles Total Moles Reactant Coefficient
HNTA-2 5.782e-08 1.000e+00 C -3.12
H -1.968
O -4.848
N -0.424
Nta 1
Biomass 3.305e-06 2.237e-04 H 0
Co_sorption 7.697e-08 1.234e-06 CoCl2 1
CoNta_sorption -1.235e-07 5.251e-06 NaCoNta 1
-----------------------------Solution composition------------------------------
Elements Molality Moles
C 1.847e-06 1.847e-06
Cl 9.990e-04 9.990e-04
Co 2.681e-06 2.681e-06
N 1.845e-07 1.845e-07
Na 1.003e-03 1.003e-03
Nta 2.767e-06 2.767e-06
----------------------------Description of solution----------------------------
pH = 6.540 Charge balance
pe = 13.851 Adjusted to redox equilibrium
Activity of water = 1.000
Ionic strength = 1.004e-03
Mass of water (kg) = 1.000e+00
Total alkalinity (eq/kg) = 1.265e-05
Total CO2 (mol/kg) = 1.847e-06
Temperature (deg C) = 25.000
Electrical balance (eq) = 8.387e-07
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.04
Iterations = 19
Total H = 1.110124e+02
Total O = 5.550628e+01
----------------------------Distribution of species----------------------------
Log Log Log
Species Molality Activity Molality Activity Gamma
H+ 2.881e-07 2.881e-07 -6.540 -6.540 0.000
OH- 3.471e-08 3.471e-08 -7.460 -7.460 0.000
H2O 5.551e+01 1.000e+00 1.744 0.000 0.000
C 1.847e-06
HCO3- 1.123e-06 1.123e-06 -5.950 -5.950 0.000
CO2 7.243e-07 7.243e-07 -6.140 -6.140 0.000
CO3-2 1.823e-10 1.823e-10 -9.739 -9.739 0.000
Cl 9.990e-04
Cl- 9.990e-04 9.990e-04 -3.000 -3.000 0.000
Co 2.681e-06
CoNta- 2.547e-06 2.547e-06 -5.594 -5.594 0.000
Co+2 1.332e-07 1.332e-07 -6.875 -6.875 0.000
CoOH+ 9.225e-11 9.225e-11 -10.035 -10.035 0.000
CoOHNta-2 5.579e-11 5.579e-11 -10.253 -10.253 0.000
CoNta2-4 6.133e-14 6.133e-14 -13.212 -13.212 0.000
Co(OH)2 2.020e-17 2.020e-17 -16.695 -16.695 0.000
Co(OH)3- 1.761e-19 1.761e-19 -18.754 -18.754 0.000
H(0) 0.000e+00
H2 0.000e+00 0.000e+00 -43.933 -43.933 0.000
N 1.845e-07
NH4+ 1.841e-07 1.841e-07 -6.735 -6.735 0.000
NH3 3.203e-10 3.203e-10 -9.494 -9.494 0.000
Na 1.003e-03
Na+ 1.003e-03 1.003e-03 -2.999 -2.999 0.000
Nta 2.767e-06
CoNta- 2.547e-06 2.547e-06 -5.594 -5.594 0.000
HNta-2 2.193e-07 2.193e-07 -6.659 -6.659 0.000
H2Nta- 6.319e-11 6.319e-11 -10.199 -10.199 0.000
CoOHNta-2 5.579e-11 5.579e-11 -10.253 -10.253 0.000
Nta-3 3.816e-11 3.816e-11 -10.418 -10.418 0.000
CoNta2-4 6.133e-14 6.133e-14 -13.212 -13.212 0.000
H3Nta 7.247e-16 7.247e-16 -15.140 -15.140 0.000
O(0) 6.109e-05
O2 3.055e-05 3.055e-05 -4.515 -4.515 0.000
------------------------------Saturation indices-------------------------------
Phase SI log IAP log KT
Transport step 21.
Transport step 21. Mixrun 1.
Transport step 22.
Transport step 22. Mixrun 1.
Transport step 23.
Transport step 23. Mixrun 1.
Transport step 24.
Transport step 24. Mixrun 1.
Transport step 25.
Transport step 25. Mixrun 1.
Using mix 10.
Using kinetics 10. Kinetics defined in simulation 3.
Mixture 10.
6.000e-02 Solution 9 Solution after simulation 5.
0.000e+00 Solution 11 Solution after simulation 5.
9.400e-01 Solution 10 Solution after simulation 5.
Kinetics 10. Kinetics defined in simulation 3.
Time: 162000 seconds
Time step: 3600 seconds
Rate name Delta Moles Total Moles Reactant Coefficient
HNTA-2 5.421e-08 1.000e+00 C -3.12
H -1.968
O -4.848
N -0.424
Nta 1
Biomass 3.036e-06 2.396e-04 H 0
Co_sorption 7.935e-08 1.630e-06 CoCl2 1
CoNta_sorption -2.766e-07 4.115e-06 NaCoNta 1
-----------------------------Solution composition------------------------------
Elements Molality Moles
C 1.473e-06 1.473e-06
Cl 9.994e-04 9.994e-04
Co 2.065e-06 2.065e-06
N 1.336e-07 1.336e-07
Na 1.002e-03 1.002e-03
Nta 2.097e-06 2.097e-06
----------------------------Description of solution----------------------------
pH = 6.412 Charge balance
pe = 13.980 Adjusted to redox equilibrium
Activity of water = 1.000
Ionic strength = 1.003e-03
Mass of water (kg) = 1.000e+00
Total alkalinity (eq/kg) = 9.478e-06
Total CO2 (mol/kg) = 1.473e-06
Temperature (deg C) = 25.000
Electrical balance (eq) = 8.387e-07
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.04
Iterations = 50
Total H = 1.110124e+02
Total O = 5.550628e+01
----------------------------Distribution of species----------------------------
Log Log Log
Species Molality Activity Molality Activity Gamma
H+ 3.871e-07 3.871e-07 -6.412 -6.412 0.000
OH- 2.584e-08 2.584e-08 -7.588 -7.588 0.000
H2O 5.551e+01 1.000e+00 1.744 0.000 0.000
C 1.473e-06
HCO3- 7.893e-07 7.893e-07 -6.103 -6.103 0.000
CO2 6.840e-07 6.840e-07 -6.165 -6.165 0.000
CO3-2 9.539e-11 9.539e-11 -10.021 -10.021 0.000
Cl 9.994e-04
Cl- 9.994e-04 9.994e-04 -3.000 -3.000 0.000
Co 2.065e-06
CoNta- 1.909e-06 1.909e-06 -5.719 -5.719 0.000
Co+2 1.565e-07 1.565e-07 -6.806 -6.806 0.000
CoOH+ 8.067e-11 8.067e-11 -10.093 -10.093 0.000
CoOHNta-2 3.111e-11 3.111e-11 -10.507 -10.507 0.000
CoNta2-4 2.931e-14 2.931e-14 -13.533 -13.533 0.000
Co(OH)2 1.315e-17 1.315e-17 -16.881 -16.881 0.000
Co(OH)3- 8.534e-20 8.534e-20 -19.069 -19.069 0.000
H(0) 0.000e+00
H2 0.000e+00 0.000e+00 -43.934 -43.934 0.000
N 1.336e-07
NH4+ 1.335e-07 1.335e-07 -6.875 -6.875 0.000
NH3 1.728e-10 1.728e-10 -9.762 -9.762 0.000
Na 1.002e-03
Na+ 1.002e-03 1.002e-03 -2.999 -2.999 0.000
Nta 2.097e-06
CoNta- 1.909e-06 1.909e-06 -5.719 -5.719 0.000
HNta-2 1.879e-07 1.879e-07 -6.726 -6.726 0.000
H2Nta- 7.274e-11 7.274e-11 -10.138 -10.138 0.000
CoOHNta-2 3.111e-11 3.111e-11 -10.507 -10.507 0.000
Nta-3 2.434e-11 2.434e-11 -10.614 -10.614 0.000
CoNta2-4 2.931e-14 2.931e-14 -13.533 -13.533 0.000
H3Nta 1.121e-15 1.121e-15 -14.950 -14.950 0.000
O(0) 6.148e-05
O2 3.074e-05 3.074e-05 -4.512 -4.512 0.000
------------------------------Saturation indices-------------------------------
Phase SI log IAP log KT
Transport step 26.
Transport step 26. Mixrun 1.
Transport step 27.
Transport step 27. Mixrun 1.
Transport step 28.
Transport step 28. Mixrun 1.
Transport step 29.
Transport step 29. Mixrun 1.
Transport step 30.
Transport step 30. Mixrun 1.
Using mix 10.
Using kinetics 10. Kinetics defined in simulation 3.
Mixture 10.
6.000e-02 Solution 9 Solution after simulation 5.
0.000e+00 Solution 11 Solution after simulation 5.
9.400e-01 Solution 10 Solution after simulation 5.
Kinetics 10. Kinetics defined in simulation 3.
Time: 180000 seconds
Time step: 3600 seconds
Rate name Delta Moles Total Moles Reactant Coefficient
HNTA-2 4.557e-08 1.000e+00 C -3.12
H -1.968
O -4.848
N -0.424
Nta 1
Biomass 2.444e-06 2.531e-04 H 0
Co_sorption 7.182e-08 2.008e-06 CoCl2 1
CoNta_sorption -2.844e-07 2.658e-06 NaCoNta 1
-----------------------------Solution composition------------------------------
Elements Molality Moles
C 1.132e-06 1.132e-06
Cl 9.997e-04 9.997e-04
Co 1.349e-06 1.349e-06
N 8.723e-08 8.723e-08
Na 1.002e-03 1.002e-03
Nta 1.324e-06 1.324e-06
----------------------------Description of solution----------------------------
pH = 6.278 Charge balance
pe = 14.115 Adjusted to redox equilibrium
Activity of water = 1.000
Ionic strength = 1.002e-03
Mass of water (kg) = 1.000e+00
Total alkalinity (eq/kg) = 6.102e-06
Total CO2 (mol/kg) = 1.132e-06
Temperature (deg C) = 25.000
Electrical balance (eq) = 8.387e-07
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.04
Iterations = 50
Total H = 1.110124e+02
Total O = 5.550628e+01
----------------------------Distribution of species----------------------------
Log Log Log
Species Molality Activity Molality Activity Gamma
H+ 5.273e-07 5.273e-07 -6.278 -6.278 0.000
OH- 1.896e-08 1.896e-08 -7.722 -7.722 0.000
H2O 5.551e+01 1.000e+00 1.744 0.000 0.000
C 1.132e-06
CO2 6.128e-07 6.128e-07 -6.213 -6.213 0.000
HCO3- 5.191e-07 5.191e-07 -6.285 -6.285 0.000
CO3-2 4.605e-11 4.605e-11 -10.337 -10.337 0.000
Cl 9.997e-04
Cl- 9.997e-04 9.997e-04 -3.000 -3.000 0.000
Co 1.349e-06
CoNta- 1.179e-06 1.179e-06 -5.929 -5.929 0.000
Co+2 1.705e-07 1.705e-07 -6.768 -6.768 0.000
CoOH+ 6.450e-11 6.450e-11 -10.190 -10.190 0.000
CoOHNta-2 1.411e-11 1.411e-11 -10.851 -10.851 0.000
CoNta2-4 1.026e-14 1.026e-14 -13.989 -13.989 0.000
Co(OH)2 7.719e-18 7.719e-18 -17.112 -17.112 0.000
Co(OH)3- 3.677e-20 3.677e-20 -19.435 -19.435 0.000
H(0) 0.000e+00
H2 0.000e+00 0.000e+00 -43.935 -43.935 0.000
N 8.723e-08
NH4+ 8.715e-08 8.715e-08 -7.060 -7.060 0.000
NH3 8.284e-11 8.284e-11 -10.082 -10.082 0.000
Na 1.002e-03
Na+ 1.002e-03 1.002e-03 -2.999 -2.999 0.000
Nta 1.324e-06
CoNta- 1.179e-06 1.179e-06 -5.929 -5.929 0.000
HNta-2 1.452e-07 1.452e-07 -6.838 -6.838 0.000
H2Nta- 7.654e-11 7.654e-11 -10.116 -10.116 0.000
CoOHNta-2 1.411e-11 1.411e-11 -10.851 -10.851 0.000
Nta-3 1.380e-11 1.380e-11 -10.860 -10.860 0.000
CoNta2-4 1.026e-14 1.026e-14 -13.989 -13.989 0.000
H3Nta 1.607e-15 1.607e-15 -14.794 -14.794 0.000
O(0) 6.184e-05
O2 3.092e-05 3.092e-05 -4.510 -4.510 0.000
------------------------------Saturation indices-------------------------------
Phase SI log IAP log KT
Transport step 31.
Transport step 31. Mixrun 1.
Transport step 32.
Transport step 32. Mixrun 1.
Transport step 33.
Transport step 33. Mixrun 1.
Transport step 34.
Transport step 34. Mixrun 1.
Transport step 35.
Transport step 35. Mixrun 1.
Using mix 10.
Using kinetics 10. Kinetics defined in simulation 3.
Mixture 10.
6.000e-02 Solution 9 Solution after simulation 5.
0.000e+00 Solution 11 Solution after simulation 5.
9.400e-01 Solution 10 Solution after simulation 5.
Kinetics 10. Kinetics defined in simulation 3.
Time: 198000 seconds
Time step: 3600 seconds
Rate name Delta Moles Total Moles Reactant Coefficient
HNTA-2 3.282e-08 1.000e+00 C -3.12
H -1.968
O -4.848
N -0.424
Nta 1
Biomass 1.593e-06 2.629e-04 H 0
Co_sorption 5.514e-08 2.320e-06 CoCl2 1
CoNta_sorption -2.069e-07 1.451e-06 NaCoNta 1
-----------------------------Solution composition------------------------------
Elements Molality Moles
C 8.578e-07 8.578e-07
Cl 1.000e-03 1.000e-03
Co 7.877e-07 7.877e-07
N 4.998e-08 4.998e-08
Na 1.001e-03 1.001e-03
Nta 7.128e-07 7.128e-07
----------------------------Description of solution----------------------------
pH = 6.162 Charge balance
pe = 14.231 Adjusted to redox equilibrium
Activity of water = 1.000
Ionic strength = 1.002e-03
Mass of water (kg) = 1.000e+00
Total alkalinity (eq/kg) = 3.419e-06
Total CO2 (mol/kg) = 8.578e-07
Temperature (deg C) = 25.000
Electrical balance (eq) = 8.387e-07
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.04
Iterations = 20
Total H = 1.110124e+02
Total O = 5.550628e+01
----------------------------Distribution of species----------------------------
Log Log Log
Species Molality Activity Molality Activity Gamma
H+ 6.892e-07 6.892e-07 -6.162 -6.162 0.000
OH- 1.451e-08 1.451e-08 -7.838 -7.838 0.000
H2O 5.551e+01 1.000e+00 1.744 0.000 0.000
C 8.578e-07
CO2 5.205e-07 5.205e-07 -6.284 -6.284 0.000
HCO3- 3.373e-07 3.373e-07 -6.472 -6.472 0.000
CO3-2 2.289e-11 2.289e-11 -10.640 -10.640 0.000
Cl 1.000e-03
Cl- 1.000e-03 1.000e-03 -3.000 -3.000 0.000
Co 7.877e-07
CoNta- 6.150e-07 6.150e-07 -6.211 -6.211 0.000
Co+2 1.727e-07 1.727e-07 -6.763 -6.763 0.000
CoOH+ 4.999e-11 4.999e-11 -10.301 -10.301 0.000
CoOHNta-2 5.630e-12 5.630e-12 -11.249 -11.249 0.000
CoNta2-4 2.757e-15 2.757e-15 -14.560 -14.560 0.000
Co(OH)2 4.577e-18 4.577e-18 -17.339 -17.339 0.000
Co(OH)3- 1.668e-20 1.668e-20 -19.778 -19.778 0.000
H(0) 0.000e+00
H2 0.000e+00 0.000e+00 -43.936 -43.936 0.000
N 4.998e-08
NH4+ 4.995e-08 4.995e-08 -7.301 -7.301 0.000
NH3 3.632e-11 3.632e-11 -10.440 -10.440 0.000
Na 1.001e-03
Na+ 1.001e-03 1.001e-03 -3.000 -3.000 0.000
Nta 7.128e-07
CoNta- 6.150e-07 6.150e-07 -6.211 -6.211 0.000
HNta-2 9.771e-08 9.771e-08 -7.010 -7.010 0.000
H2Nta- 6.734e-11 6.734e-11 -10.172 -10.172 0.000
Nta-3 7.106e-12 7.106e-12 -11.148 -11.148 0.000
CoOHNta-2 5.630e-12 5.630e-12 -11.249 -11.249 0.000
CoNta2-4 2.757e-15 2.757e-15 -14.560 -14.560 0.000
H3Nta 1.848e-15 1.848e-15 -14.733 -14.733 0.000
O(0) 6.212e-05
O2 3.106e-05 3.106e-05 -4.508 -4.508 0.000
------------------------------Saturation indices-------------------------------
Phase SI log IAP log KT
Transport step 36.
Transport step 36. Mixrun 1.
Transport step 37.
Transport step 37. Mixrun 1.
Transport step 38.
Transport step 38. Mixrun 1.
Transport step 39.
Transport step 39. Mixrun 1.
Transport step 40.
Transport step 40. Mixrun 1.
Using mix 10.
Using kinetics 10. Kinetics defined in simulation 3.
Mixture 10.
6.000e-02 Solution 9 Solution after simulation 5.
0.000e+00 Solution 11 Solution after simulation 5.
9.400e-01 Solution 10 Solution after simulation 5.
Kinetics 10. Kinetics defined in simulation 3.
Time: 216000 seconds
Time step: 3600 seconds
Rate name Delta Moles Total Moles Reactant Coefficient
HNTA-2 1.946e-08 1.000e+00 C -3.12
H -1.968
O -4.848
N -0.424
Nta 1
Biomass 7.109e-07 2.681e-04 H 0
Co_sorption 3.544e-08 2.536e-06 CoCl2 1
CoNta_sorption -1.186e-07 6.881e-07 NaCoNta 1
-----------------------------Solution composition------------------------------
Elements Molality Moles
C 6.715e-07 6.715e-07
Cl 1.000e-03 1.000e-03
Co 4.456e-07 4.456e-07
N 2.467e-08 2.467e-08
Na 1.000e-03 1.000e-03
Nta 3.350e-07 3.350e-07
----------------------------Description of solution----------------------------
pH = 6.081 Charge balance
pe = 14.313 Adjusted to redox equilibrium
Activity of water = 1.000
Ionic strength = 1.001e-03
Mass of water (kg) = 1.000e+00
Total alkalinity (eq/kg) = 1.709e-06
Total CO2 (mol/kg) = 6.715e-07
Temperature (deg C) = 25.000
Electrical balance (eq) = 8.387e-07
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.04
Iterations = 22
Total H = 1.110124e+02
Total O = 5.550628e+01
----------------------------Distribution of species----------------------------
Log Log Log
Species Molality Activity Molality Activity Gamma
H+ 8.307e-07 8.307e-07 -6.081 -6.081 0.000
OH- 1.204e-08 1.204e-08 -7.919 -7.919 0.000
H2O 5.551e+01 1.000e+00 1.744 0.000 0.000
C 6.715e-07
CO2 4.367e-07 4.367e-07 -6.360 -6.360 0.000
HCO3- 2.348e-07 2.348e-07 -6.629 -6.629 0.000
CO3-2 1.322e-11 1.322e-11 -10.879 -10.879 0.000
Cl 1.000e-03
Cl- 1.000e-03 1.000e-03 -3.000 -3.000 0.000
Co 4.456e-07
CoNta- 2.794e-07 2.794e-07 -6.554 -6.554 0.000
Co+2 1.662e-07 1.662e-07 -6.779 -6.779 0.000
CoOH+ 3.992e-11 3.992e-11 -10.399 -10.399 0.000
CoOHNta-2 2.122e-12 2.122e-12 -11.673 -11.673 0.000
CoNta2-4 5.911e-16 5.911e-16 -15.228 -15.228 0.000
Co(OH)2 3.032e-18 3.032e-18 -17.518 -17.518 0.000
Co(OH)3- 9.168e-21 9.168e-21 -20.038 -20.038 0.000
H(0) 0.000e+00
H2 0.000e+00 0.000e+00 -43.937 -43.937 0.000
N 2.467e-08
NH4+ 2.465e-08 2.465e-08 -7.608 -7.608 0.000
NH3 1.487e-11 1.487e-11 -10.828 -10.828 0.000
Na 1.000e-03
Na+ 1.000e-03 1.000e-03 -3.000 -3.000 0.000
Nta 3.350e-07
CoNta- 2.794e-07 2.794e-07 -6.554 -6.554 0.000
HNta-2 5.558e-08 5.558e-08 -7.255 -7.255 0.000
H2Nta- 4.618e-11 4.618e-11 -10.336 -10.336 0.000
Nta-3 3.353e-12 3.353e-12 -11.475 -11.475 0.000
CoOHNta-2 2.122e-12 2.122e-12 -11.673 -11.673 0.000
H3Nta 1.527e-15 1.527e-15 -14.816 -14.816 0.000
CoNta2-4 5.911e-16 5.911e-16 -15.228 -15.228 0.000
O(0) 6.232e-05
O2 3.116e-05 3.116e-05 -4.506 -4.506 0.000
------------------------------Saturation indices-------------------------------
Phase SI log IAP log KT
Transport step 41.
Transport step 41. Mixrun 1.
Transport step 42.
Transport step 42. Mixrun 1.
Transport step 43.
Transport step 43. Mixrun 1.
Transport step 44.
Transport step 44. Mixrun 1.
Transport step 45.
Transport step 45. Mixrun 1.
Using mix 10.
Using kinetics 10. Kinetics defined in simulation 3.
Mixture 10.
6.000e-02 Solution 9 Solution after simulation 5.
0.000e+00 Solution 11 Solution after simulation 5.
9.400e-01 Solution 10 Solution after simulation 5.
Kinetics 10. Kinetics defined in simulation 3.
Time: 234000 seconds
Time step: 3600 seconds
Rate name Delta Moles Total Moles Reactant Coefficient
HNTA-2 9.475e-09 1.000e+00 C -3.12
H -1.968
O -4.848
N -0.424
Nta 1
Biomass 5.654e-08 2.696e-04 H 0
Co_sorption 2.003e-08 2.664e-06 CoCl2 1
CoNta_sorption -5.697e-08 2.930e-07 NaCoNta 1
-----------------------------Solution composition------------------------------
Elements Molality Moles
C 5.676e-07 5.676e-07
Cl 1.000e-03 1.000e-03
Co 2.732e-07 2.732e-07
N 1.054e-08 1.054e-08
Na 1.000e-03 1.000e-03
Nta 1.416e-07 1.416e-07
----------------------------Description of solution----------------------------
pH = 6.035 Charge balance
pe = 14.359 Adjusted to redox equilibrium
Activity of water = 1.000
Ionic strength = 1.001e-03
Mass of water (kg) = 1.000e+00
Total alkalinity (eq/kg) = 8.065e-07
Total CO2 (mol/kg) = 5.676e-07
Temperature (deg C) = 25.000
Electrical balance (eq) = 8.387e-07
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.04
Iterations = 23
Total H = 1.110124e+02
Total O = 5.550628e+01
----------------------------Distribution of species----------------------------
Log Log Log
Species Molality Activity Molality Activity Gamma
H+ 9.228e-07 9.228e-07 -6.035 -6.035 0.000
OH- 1.084e-08 1.084e-08 -7.965 -7.965 0.000
H2O 5.551e+01 1.000e+00 1.744 0.000 0.000
C 5.676e-07
CO2 3.825e-07 3.825e-07 -6.417 -6.417 0.000
HCO3- 1.851e-07 1.851e-07 -6.733 -6.733 0.000
CO3-2 9.383e-12 9.383e-12 -11.028 -11.028 0.000
Cl 1.000e-03
Cl- 1.000e-03 1.000e-03 -3.000 -3.000 0.000
Co 2.732e-07
Co+2 1.583e-07 1.583e-07 -6.801 -6.801 0.000
CoNta- 1.149e-07 1.149e-07 -6.940 -6.940 0.000
CoOH+ 3.422e-11 3.422e-11 -10.466 -10.466 0.000
CoOHNta-2 7.856e-13 7.856e-13 -12.105 -12.105 0.000
CoNta2-4 1.050e-16 1.050e-16 -15.979 -15.979 0.000
Co(OH)2 2.339e-18 2.339e-18 -17.631 -17.631 0.000
Co(OH)3- 6.368e-21 6.368e-21 -20.196 -20.196 0.000
H(0) 0.000e+00
H2 0.000e+00 0.000e+00 -43.937 -43.937 0.000
N 1.054e-08
NH4+ 1.054e-08 1.054e-08 -7.977 -7.977 0.000
NH3 5.723e-12 5.723e-12 -11.242 -11.242 0.000
Na 1.000e-03
Na+ 1.000e-03 1.000e-03 -3.000 -3.000 0.000
Nta 1.416e-07
CoNta- 1.149e-07 1.149e-07 -6.940 -6.940 0.000
HNta-2 2.667e-08 2.667e-08 -7.574 -7.574 0.000
H2Nta- 2.461e-11 2.461e-11 -10.609 -10.609 0.000
Nta-3 1.449e-12 1.449e-12 -11.839 -11.839 0.000
CoOHNta-2 7.856e-13 7.856e-13 -12.105 -12.105 0.000
H3Nta 9.043e-16 9.043e-16 -15.044 -15.044 0.000
CoNta2-4 1.050e-16 1.050e-16 -15.979 -15.979 0.000
O(0) 6.242e-05
O2 3.121e-05 3.121e-05 -4.506 -4.506 0.000
------------------------------Saturation indices-------------------------------
Phase SI log IAP log KT
Transport step 46.
Transport step 46. Mixrun 1.
Transport step 47.
Transport step 47. Mixrun 1.
Transport step 48.
Transport step 48. Mixrun 1.
Transport step 49.
Transport step 49. Mixrun 1.
Transport step 50.
Transport step 50. Mixrun 1.
Using mix 10.
Using kinetics 10. Kinetics defined in simulation 3.
Mixture 10.
6.000e-02 Solution 9 Solution after simulation 5.
0.000e+00 Solution 11 Solution after simulation 5.
9.400e-01 Solution 10 Solution after simulation 5.
Kinetics 10. Kinetics defined in simulation 3.
Time: 252000 seconds
Time step: 3600 seconds
Rate name Delta Moles Total Moles Reactant Coefficient
HNTA-2 3.947e-09 1.000e+00 C -3.12
H -1.968
O -4.848
N -0.424
Nta 1
Biomass -3.021e-07 2.687e-04 H 0
Co_sorption 1.119e-08 2.735e-06 CoCl2 1
CoNta_sorption -2.428e-08 1.158e-07 NaCoNta 1
-----------------------------Solution composition------------------------------
Elements Molality Moles
C 5.197e-07 5.197e-07
Cl 1.000e-03 1.000e-03
Co 1.976e-07 1.976e-07
N 4.028e-09 4.028e-09
Na 1.000e-03 1.000e-03
Nta 5.550e-08 5.550e-08
----------------------------Description of solution----------------------------
pH = 6.014 Charge balance
pe = 14.380 Adjusted to redox equilibrium
Activity of water = 1.000
Ionic strength = 1.001e-03
Mass of water (kg) = 1.000e+00
Total alkalinity (eq/kg) = 3.997e-07
Total CO2 (mol/kg) = 5.197e-07
Temperature (deg C) = 25.000
Electrical balance (eq) = 8.387e-07
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.04
Iterations = 23
Total H = 1.110124e+02
Total O = 5.550628e+01
----------------------------Distribution of species----------------------------
Log Log Log
Species Molality Activity Molality Activity Gamma
H+ 9.693e-07 9.693e-07 -6.014 -6.014 0.000
OH- 1.032e-08 1.032e-08 -7.986 -7.986 0.000
H2O 5.551e+01 1.000e+00 1.744 0.000 0.000
C 5.197e-07
CO2 3.557e-07 3.557e-07 -6.449 -6.449 0.000
HCO3- 1.639e-07 1.639e-07 -6.785 -6.785 0.000
CO3-2 7.911e-12 7.911e-12 -11.102 -11.102 0.000
Cl 1.000e-03
Cl- 1.000e-03 1.000e-03 -3.000 -3.000 0.000
Co 1.976e-07
Co+2 1.533e-07 1.533e-07 -6.815 -6.815 0.000
CoNta- 4.433e-08 4.433e-08 -7.353 -7.353 0.000
CoOH+ 3.155e-11 3.155e-11 -10.501 -10.501 0.000
CoOHNta-2 2.886e-13 2.886e-13 -12.540 -12.540 0.000
CoNta2-4 1.614e-17 1.614e-17 -16.792 -16.792 0.000
Co(OH)2 2.054e-18 2.054e-18 -17.687 -17.687 0.000
Co(OH)3- 5.322e-21 5.322e-21 -20.274 -20.274 0.000
H(0) 0.000e+00
H2 0.000e+00 0.000e+00 -43.937 -43.937 0.000
N 4.028e-09
NH4+ 4.026e-09 4.026e-09 -8.395 -8.395 0.000
NH3 2.082e-12 2.082e-12 -11.682 -11.682 0.000
Na 1.000e-03
Na+ 1.000e-03 1.000e-03 -3.000 -3.000 0.000
Nta 5.550e-08
CoNta- 4.433e-08 4.433e-08 -7.353 -7.353 0.000
HNta-2 1.116e-08 1.116e-08 -7.952 -7.952 0.000
H2Nta- 1.082e-11 1.082e-11 -10.966 -10.966 0.000
Nta-3 5.770e-13 5.770e-13 -12.239 -12.239 0.000
CoOHNta-2 2.886e-13 2.886e-13 -12.540 -12.540 0.000
H3Nta 4.174e-16 4.174e-16 -15.379 -15.379 0.000
CoNta2-4 1.614e-17 1.614e-17 -16.792 -16.792 0.000
O(0) 6.247e-05
O2 3.124e-05 3.124e-05 -4.505 -4.505 0.000
------------------------------Saturation indices-------------------------------
Phase SI log IAP log KT
Transport step 51.
Transport step 51. Mixrun 1.
Transport step 52.
Transport step 52. Mixrun 1.
Transport step 53.
Transport step 53. Mixrun 1.
Transport step 54.
Transport step 54. Mixrun 1.
Transport step 55.
Transport step 55. Mixrun 1.
Using mix 10.
Using kinetics 10. Kinetics defined in simulation 3.
Mixture 10.
6.000e-02 Solution 9 Solution after simulation 5.
0.000e+00 Solution 11 Solution after simulation 5.
9.400e-01 Solution 10 Solution after simulation 5.
Kinetics 10. Kinetics defined in simulation 3.
Time: 270000 seconds
Time step: 3600 seconds
Rate name Delta Moles Total Moles Reactant Coefficient
HNTA-2 1.487e-09 1.000e+00 C -3.12
H -1.968
O -4.848
N -0.424
Nta 1
Biomass -4.583e-07 2.667e-04 H 0
Co_sorption 6.974e-09 2.777e-06 CoCl2 1
CoNta_sorption -9.586e-09 4.346e-08 NaCoNta 1
-----------------------------Solution composition------------------------------
Elements Molality Moles
C 5.005e-07 5.005e-07
Cl 1.000e-03 1.000e-03
Co 1.677e-07 1.677e-07
N 1.429e-09 1.429e-09
Na 1.000e-03 1.000e-03
Nta 2.065e-08 2.065e-08
----------------------------Description of solution----------------------------
pH = 6.005 Charge balance
pe = 14.389 Adjusted to redox equilibrium
Activity of water = 1.000
Ionic strength = 1.001e-03
Mass of water (kg) = 1.000e+00
Total alkalinity (eq/kg) = 2.359e-07
Total CO2 (mol/kg) = 5.005e-07
Temperature (deg C) = 25.000
Electrical balance (eq) = 8.387e-07
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.04
Iterations = 23
Total H = 1.110124e+02
Total O = 5.550628e+01
----------------------------Distribution of species----------------------------
Log Log Log
Species Molality Activity Molality Activity Gamma
H+ 9.888e-07 9.888e-07 -6.005 -6.005 0.000
OH- 1.011e-08 1.011e-08 -7.995 -7.995 0.000
H2O 5.551e+01 1.000e+00 1.744 0.000 0.000
C 5.005e-07
CO2 3.448e-07 3.448e-07 -6.462 -6.462 0.000
HCO3- 1.558e-07 1.558e-07 -6.808 -6.808 0.000
CO3-2 7.368e-12 7.368e-12 -11.133 -11.133 0.000
Cl 1.000e-03
Cl- 1.000e-03 1.000e-03 -3.000 -3.000 0.000
Co 1.677e-07
Co+2 1.513e-07 1.513e-07 -6.820 -6.820 0.000
CoNta- 1.638e-08 1.638e-08 -7.786 -7.786 0.000
CoOH+ 3.053e-11 3.053e-11 -10.515 -10.515 0.000
CoOHNta-2 1.045e-13 1.045e-13 -12.981 -12.981 0.000
CoNta2-4 2.232e-18 2.232e-18 -17.651 -17.651 0.000
Co(OH)2 1.948e-18 1.948e-18 -17.710 -17.710 0.000
Co(OH)3- 4.948e-21 4.948e-21 -20.306 -20.306 0.000
H(0) 0.000e+00
H2 0.000e+00 0.000e+00 -43.937 -43.937 0.000
N 1.429e-09
NH4+ 1.429e-09 1.429e-09 -8.845 -8.845 0.000
NH3 7.241e-13 7.241e-13 -12.140 -12.140 0.000
Na 1.000e-03
Na+ 1.000e-03 1.000e-03 -3.000 -3.000 0.000
Nta 2.065e-08
CoNta- 1.638e-08 1.638e-08 -7.786 -7.786 0.000
HNta-2 4.262e-09 4.262e-09 -8.370 -8.370 0.000
H2Nta- 4.214e-12 4.214e-12 -11.375 -11.375 0.000
Nta-3 2.160e-13 2.160e-13 -12.666 -12.666 0.000
CoOHNta-2 1.045e-13 1.045e-13 -12.981 -12.981 0.000
H3Nta 1.659e-16 1.659e-16 -15.780 -15.780 0.000
CoNta2-4 2.232e-18 2.232e-18 -17.651 -17.651 0.000
O(0) 6.249e-05
O2 3.125e-05 3.125e-05 -4.505 -4.505 0.000
------------------------------Saturation indices-------------------------------
Phase SI log IAP log KT
------------------
End of simulation.
------------------
------------------------------------
Reading input data for simulation 6.
------------------------------------
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End of run.
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