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. ------------------------------------ ----------- End of run. -----------