# Define the substances... SOLUTION_MASTER_SPECIES Tca Tca 0 Tca 133.4 # 1,1,1-trichloroethane C2H3Cl3, TCA Pce Pce 0 Pce 165.8 # Tetrachloroethene C2Cl4, PCE SOLUTION_SPECIES Tca = Tca; log_k 0 # note the next-line character ; Pce = Pce; log_k 0 # Define the solubility... PHASES Tca_lq; Tca = Tca; log_k -2.01 # 1300 mg/L Pce_lq; Pce = Pce; log_k -2.92 # 200 mg/L # pipette the chemicals... SOLID_SOLUTIONS 1 Pool -comp Tca_lq 0.0008 -comp Pce_lq 0.0008 # take 0.1 L pure water... SOLUTION 1 -water 0.1 END # mix water and chemicals... USE solution 1 USE solid_solutions 1 SAVE solid_solutions 1 # the pool of chemicals after dissolution USER_GRAPH # plot the composition... -connect_simulations -axis_titles "Extraction" "mg / L" -axis_scale x_axis 1 10 1 # minimum, maximum, major interval # -axis_scale y_axis # automatic scaling, or define if you like... -headings Extr_no TCA PCE -start 10 graph_x sim_no - 1 # extraction no. on x-axis 20 graph_y tot("Tca")*133.4e3, tot("Pce")*165.8e3 -end END # 2nd extraction.. USE solid_solutions 1; USE solution 1; SAVE solid_solutions 1 END # 3rd extraction, etc... USE solid_solutions 1; USE solution 1; SAVE solid_solutions 1 END USE solid_solutions 1; USE solution 1; SAVE solid_solutions 1 END USE solid_solutions 1; USE solution 1; SAVE solid_solutions 1 END USE solid_solutions 1; USE solution 1; SAVE solid_solutions 1 END USE solid_solutions 1; USE solution 1; SAVE solid_solutions 1 END USE solid_solutions 1; USE solution 1; SAVE solid_solutions 1 END USE solid_solutions 1; USE solution 1; SAVE solid_solutions 1 END USE solid_solutions 1; USE solution 1; SAVE solid_solutions 1 END