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WARNING: Numerical method failed with this set of convergence parameters.WARNING: Trying reduced tolerance 1e-14 ...WARNING: Maximum iterations exceeded, 200WARNING: Numerical method failed with this set of convergence parameters.WARNING: Trying reduced tolerance 1e-15 ...ERROR: C has not converged. Total: 5.607351e-04 Calculated: 5.607253e-04 Residual: 9.804688e-09ERROR: S has not converged. Total: 8.643901e-04 Calculated: 8.644072e-04 Residual: -1.709325e-08ERROR: U has not converged. Total: 6.704384e-09 Calculated: 3.089464e-09 Residual: 3.614920e-09ERROR: Mu Ionic strength has not converged. Residual: 1.037241e-08ERROR: pH Charge balance has not converged. Residual: -9.487852e-09ERROR: Numerical method failed on all combinations of convergence parameters, cell/soln/mix 966ERROR: PhreeqcRM failed.ERROR: PhreeqcRM::RunCellsFailure in PhreeqcRM

SOLUTION 1 units mg/l temp 18.9 pH 6.95 pe 3.6 Alkalinity 97.8 as HCO3 Ca 36.2 K 0.98 Mg 5.96 Na 8.26 Cl 2.92 Fe 0.067825 S 43.4 U 0.000356 Mn 0.34512EQUILIBRIUM_PHASES 1 Fe(OH)3(a) 0.4RATES 1 Fe -start 10 k = 2e13 #2e13 20 r = (2.91e-9 + k * (MOL("OH-"))^2 * TOT("Do")/2 / 0.0015236 ) 30 if (r > 0.3) then r = 0.3 40 rate = r * MOL("Fe+2") 50 moles = rate * (60* 0.05) 200 save moles -end

RATES 1 Fe -start 10 k = 2e13 #2e13 20 r = (2.91e-9 + k * (MOL("OH-"))^2 * TOT("Do")/2 / 0.0015236 ) 30 if (r > 0.3) then r = 0.3 40 rate = r * MOL("Fe+2") 50 moles = rate * (60* 0.05) 200 save moles -end

TITLE GSSOLUTION 1 # groundwater units mg/l temp 18.9 pH 6.95 pe 3.6 Do 1.09 Alkalinity 97.8 as HCO3 Ca 36.2 K 0.98 Mg 5.96 Na 8.26 Cl 2.92 Fe 0.067825 S 43.4 U 0.000356 SOLUTION 2 # surface water units mg/l temp 24.5 pH 7.12 pe 10.8 Do 10.66 Alkalinity 29.2 as HCO3 Ca 29 K 0.77 Mg 9.67 Na 3.91 Cl 3.26 Fe 0.012247 S 83.3 U 0.001602SOLUTION_MASTER_SPECIES Do Do-2 0.0 Do 16 SOLUTION_SPECIES Do-2 = Do-2 log_k 0.0MIX 1 1 0.5 2 0.5SAVE solution 3ENDEQUILIBRIUM_PHASE 1 Fe(OH)3(a) 0.8RATES 1 Uraninite -start 10 k1 = 0.00273 20 k2 = 0.00152 30 k_1 = 5e-5 40 rate = (k1 * k2 * 22e-6 / 238 * TOT("Do") * MOL("HCO3-")) / (k_1 + k2 * MOL("HCO3-") + k1 * TOT("Do")) 50 moles = rate * TIME * 2.3e-3 #Surface area of UO2 200 save moles -endKINETICS 1Uraninite -formula U 1-steps 255600 USE solution 3END

Cell number 4674 Selected output: 1 soln: 4673 2 pH: 9.4081 3 pe: -5.3467 4 Alk(eq/kgw): 0.00081813 5 H(mol/kgw): 1.1819e-11 6 U(mol/kgw): 9.4951e-08 7 Fe(mol/kgw): 0.00013725 8 Do(mol/kgw): 0.00052216 9 m_OH-(mol/kgw): 1.2373e-05 10 m_HCO3-(mol/kgw): 0.00048401 11 m_Fe+2(mol/kgw): 6.2171e-05 12 m_Fe(OH)3(mol/kgw): 1.2581e-08

TITLE GSRATES 1 Uraninite -start 10 k1 = 0.00273 20 k2 = 0.00152 30 k_1 = 5e-5 #40 rate = (k1 * k2 * 22e-6 / 238 * TOT("Do") * MOL("HCO3-")) / (k_1 + k2 * MOL("HCO3-") + k1 * TOT("Do")) 40 rate = (k1 * k2 * 22e-6 / 238 * TOT("O(0)") * MOL("HCO3-")) / (k_1 + k2 * MOL("HCO3-") + k1 * TOT("O(0)")) 50 moles = rate * TIME * 2.3e-3 #Surface area of UO2 60 moles = moles * 1e9 200 save moles -endENDSOLUTION 1 # groundwater units mg/l temp 18.9 pH 6.95 pe 3.6 #Do 1.09 O(0) 1.09 Alkalinity 97.8 as HCO3 Ca 36.2 K 0.98 Mg 5.96 Na 8.26 Cl 2.92 Fe 0.067825 S 43.4 U 0.000356SOLUTION 2 # surface water units mg/l temp 24.5 pH 7.12 pe 10.8 #Do 10.66 O(0) 10.66 Alkalinity 29.2 as HCO3 Ca 29 K 0.77 Mg 9.67 Na 3.91 Cl 3.26 Fe 0.012247 S 83.3 U 0.001602MIX 1 1 0.5 2 0.5SAVE solution 3ENDUSE solution 3EQUILIBRIUM_PHASE 1 Fe(OH)3(a) 0.8KINETICS 1Uraninite -formula U 1-steps 255600 in 10 stepsUSER_GRAPH 1 -headings time U O(0) -axis_titles "Time, seconds" "Molality" "" -initial_solutions false -connect_simulations true -plot_concentration_vs x -start10 GRAPH_X TOTAL_TIME20 GRAPH_Y TOT("U"), TOT("O(0)") -end -active trueEND