# For convergence, add a redox buffer in the input file: SOLUTION_SPECIES H2O + 0.01e- = H2O-0.01 -log_k -9 SOLUTION 1 pH 6.0 Na 1.236; K 0.041; Mg 0.115; Ca 0.067 Cl 1.467; N(5) 0.058; S(6) 0.085; Alkalinity 0.26 O(0) 0.124 EQUILIBRIUM_PHASES 1 Goethite 0 2.5e-3 FeS(ppt) 0 0 Pyrolusite 0 4e-5 REACTION 1 C; 0.572E-3 in 26 steps INCREMENTAL_REACTIONS true PRINT; -reset false USER_GRAPH 1 initial_solutions true headings C O2 NO3 Mn Fe SO4 S(-2) C(-4) axis_titles "Carbon added, mmol/L" "Concentration, mol/L" -start 10 graph_x step_no * 0.572 / 26 20 graph_y tot("O(0)")/2, tot("N(5)"), tot("Mn(2)"), tot("Fe(2)"),\ tot("S(6)"), tot("S(-2)"), tot("C(-4)") -end END