DATABASE C:\Users\International\Documents\PhD\AlexF\Modelo alex\Fitted\000_Database_PHREEQC\PKDLM_BRGM_database_phreeqc_ThermoddemV1.10_06Jun2017.dat#Soil-E (basic pH 7.2) 60% porositySURFACE 10-sites_units density Illitex 1.80E-04 97 1666.67 Montx 1.81E-06 800 1666.67 Kaolinitex 3.13E-06 10 1666.67 # ^site/nm^2 ^SSA (m^2/g) ^M/V (g/L) EXCHANGE 10 Illi 2.50E-02 Mont 7.29E-02 Kao 6.96E-04 SOLUTION 1units mol/LpH 7 chargeNa 8.33E-04K 9.50E-04Ca 1.14E-02Mg 1.55E-04N(5) 3.20E-03Cl 4.86E-04S(6) 2.56E-04USE SURFACE 10USE EXCHANGE 10EQUILIBRIUM_PHASES 1 Calcite 0.00 CO2(g) -2SELECTED_OUTPUT -reset false -file C:\Users\International\Desktop\VF_model\RHIZO_moy\Eau Porale au champ\SOL-E_EAU-P_PORO60%.sel -high_precision false USER_PUNCH -headings pH Na K Ca Mg NO3 Cl SO4 HCO3 -start 10 Caaq = tot("Ca") #(mol/L) 20 CO3aq = tot("C(4)") #(mol/L) 30 Kaq = tot("K") #(mol/L) 40 Naaq = tot("Na") #(mol/L) 50 Mgaq = tot("Mg") #(mol/L)60 Claq = tot("Cl") #(mol/L)70 NO3aq = tot("N(5)") #(mol/L)80 SO4aq = tot("S(6)") #(mol/L)200 punch -LA("H+"), Naaq, Kaq, Caaq, Mgaq, NO3aq, Claq, SO4aq, CO3aq,-end END

DATABASE C:\Users\International\Documents\PhD\AlexF\Modelo alex\Fitted\000_Database_PHREEQC\PKDLM_BRGM_database_phreeqc_ThermoddemV1.10_06Jun2017.dat#Soil-H (acidic pH 5) 60% porositySURFACE 10-sites_units density Illitex 4.48E-05 97 1666.67 Montx 2.64E-06 800 1666.67 Kaolinitex 6.63E-05 10 1666.67 # ^site/nm^2 ^SSA (m^2/g) ^M/V (g/L) EXCHANGE 10Illi 6.22E-03Mont 1.06E-01Kao 1.47E-02 SOLUTION 1units mol/LpH 7 charge Na 3.81E-03K 1.57E-03Ca 1.08E-03Mg 1.99E-04N(5) 5.75E-04Cl 7.20E-03S(6) 1.87E-03Al 1.59E-04USE SURFACE 10USE EXCHANGE 10EQUILIBRIUM_PHASES 1Gibbsite 0.00 CO2(g) -2.00SELECTED_OUTPUT -reset false -file C:\Users\International\Desktop\VF_model\RHIZO_moy\Eau Porale au champ\SOL-H_EAU-P_PORO60%.sel -high_precision false USER_PUNCH -headings pH Al Na K Ca Mg NO3 Cl SO4 HCO3 -start 10 Caaq = tot("Ca") #(mol/L) 20 CO3aq = tot("C(4)") #(mol/L) 30 Kaq = tot("K") #(mol/L) 40 Naaq = tot("Na") #(mol/L) 50 Mgaq = tot("Mg") #(mol/L)60 Claq = tot("Cl") #(mol/L)70 NO3aq = tot("N(5)") #(mol/L)80 SO4aq = tot("S(6)") #(mol/L)90 Alaq = tot("Al") #(mol/L)200 punch -LA("H+"), Alaq, Naaq, Kaq, Caaq, Mgaq, NO3aq, Claq, SO4aq, CO3aq,-end END

WARNING: Trying reduced tolerance 1e-16 ...WARNING: Maximum iterations exceeded, 200WARNING: Numerical method failed with this set of convergence parameters.WARNING: The program has failed to converge to a numerical solution.The following equations were not satisfied:ERROR: Ca has not converged. Total: 1.080567e-03 Calculated: 2.432248e-02 Residual: -2.324192e-02ERROR: Mg has not converged. Total: 1.991045e-04 Calculated: 4.408719e-03 Residual: -4.209615e-03ERROR: Illi Exchanger mass balance has not converged. Residual: 2.593439e-03ERROR: Mont Exchanger mass balance has not converged. Residual: 5.452718e-02ERROR: Kao Exchanger mass balance has not converged. Residual: 6.954154e-03Using solution 1. Using exchange 10. Using surface 10. Using pure phase assemblage 1.

EXCHANGE 10NaIlli 6.22E-03Ca0.5Mont 1.06E-01Na0.5Ca0.25Kao 1.47E-02

SURFACE 10-sites_units density IllitexOH0.5 4.48E-05 97 1666.67 MontxOH0.5 2.64E-06 800 1666.67 KaolinitexOH0.5 6.63E-05 10 1666.67

Na0.8Ca0.05Mg0.05X 1

Na0.8X0.8 1Ca0.05X0.1 1Mg0.05X0.1 1

NaX 0.8CaX2 0.05MgX2 0.05