database C:\Phreeqc\database\sit_Hwang_ver2.dat SOLUTION 1 -units mmol/kgw temp 25 pH 7.0 pe -2.42 C 2.1829 Ca 19.4914 Cl 153 Fe 0.0331 K 0.95357 Mg 8.0629 Na 111.7143 S 13.2571 Si 0.151 end EXCHANGE 1-1 NaBentonite_ex 3.4844 end SURFACE 1-1 Bentonite_sOH 0.00801 Bentonitea_wOH 0.1602 Bentoniteb_wOH 0.1602 no_edl end SELECTED_OUTPUT -reset false USER_PUNCH -headings C(4) Ca Cl Fe(2) Fe(3) K Mg Na S(-2) S(6) Si 10 PUNCH TOTMOLE("C(4)") TOTMOLE("Ca") TOTMOLE("Cl") TOTMOLE("Fe(2)") TOTMOLE("Fe(3)") TOTMOLE("K") TOTMOLE("Mg") TOTMOLE("Na") TOTMOLE("S(-2)") TOTMOLE("S(6)") TOTMOLE("Si") end end Run_Cells -Cells 1-1 end DUMP -file TOTAL.dmp -append false -solution 1-1 -surface 1-1 -exchange 1-1 end