PRINT; -reset false # SOLUTION_SPECIES # Cl- = Cl- # -gamma 3.5 0.015 # -gamma 3.63 0.017 # cf. pitzer.dat # -dw 2.03e-9 194 1.6 6.9 # -Vm 4.465 4.801 4.325 -2.847 1.748 0 -0.331 20.16 0 1 # ref. 1 SOLUTION 0-1; -water 1e3; Cl 0.1; Na 0.1 SOLUTION 2; -water 1e3; Cl 0.1; Na 0.1 potential 1 END TRANSPORT -boundary_conditions 1 1 -multi_d true 1e-9 1 0.0 1 true -flow_direction diffusion_only -time_step 1; -punch_cells 1; -shifts 1 USER_GRAPH -initial_solutions false -axis_titles "NaCl / (mol/kgw)" "Specific Conductance (Ohm`s law) / (mS/cm)" "Specific Conductance (PHREEQC) / (mS/cm)" -axis_scale x_axis 0 6.2 -axis_scale y_axis 0 350 -axis_scale sy_axis 0 350 -headings Ohm`s..law PHREEQC`s..SC 10 if get(1) > 0 then plot_xy get(1), -current_a * 10, symbol_size = 3 20 if get(1) > 0 then plot_xy get(1), get(2) / 1e3, y_axis = 2, symbol = Square, symbol_size = 8, line_width = 2 30 put(tot("Cl"), 1) : put(SC, 2) # TRANSPORT calc`n after adding REACTION END REACTION 0-2 NaCl 1; 600 TRANSPORT -shifts 11 END # Now with concentration-independent Dw... USER_GRAPH 1; -active false; -connect_simulations false SOLUTION 0-1; -water 1e3; Cl 0.1; Na 0.1 SOLUTION 2; -water 1e3; Cl 0.1; Na 0.1 potential 1 END USER_GRAPH 1; -active true; -connect_simulations true -headings Dw:..correct..false 10 if sim_no > 5 then plot_xy get(1), -current_a * 10, symbol_size = 7, symbol = XCross , color = Red 30 put(tot("Cl"), 1) : put(SC, 2) # TRANSPORT calc`n after adding REACTION REACTION 0-2 TRANSPORT -multi_d true 1e-9 1 0.0 1 false -shifts 1 END REACTION 0-2 NaCl 1; 300 TRANSPORT -shifts 11 END SOLUTION_SPREAD -units mol/kgw number Cl Na pH 1 1.0047e-01 1.0047e-01 7 charge 2 1.2564e-01 1.2564e-01 7 charge 3 1.5084e-01 1.5084e-01 7 charge 4 1.7606e-01 1.7606e-01 7 charge 5 2.0131e-01 2.0131e-01 7 charge 6 2.5184e-01 2.5184e-01 7 charge 7 3.0249e-01 3.0249e-01 7 charge 8 4.0407e-01 4.0407e-01 7 charge 9 5.0603e-01 5.0603e-01 7 charge 10 6.0844e-01 6.0844e-01 7 charge 11 7.1117e-01 7.1117e-01 7 charge 12 8.1438e-01 8.1438e-01 7 charge 13 9.1799e-01 9.1799e-01 7 charge 14 1.0220e+00 1.0220e+00 7 charge 15 1.2314e+00 1.2314e+00 7 charge 16 1.4426e+00 1.4426e+00 7 charge 17 1.6556e+00 1.6556e+00 7 charge 18 1.8705e+00 1.8705e+00 7 charge 19 2.0872e+00 2.0872e+00 7 charge 20 2.6383e+00 2.6383e+00 7 charge 21 3.2025e+00 3.2025e+00 7 charge 22 3.7807e+00 3.7807e+00 7 charge 23 4.3738e+00 4.3738e+00 7 charge 24 4.9828e+00 4.9828e+00 7 charge 25 5.6092e+00 5.6092e+00 7 charge 26 6.0587e+00 6.0587e+00 7 charge USER_GRAPH 1 -initial_solutions true -headings measured..SC 10 DATA 106.24, 104.67, 103.34, 102.12, 101.05, 99.16, 97.56, 94.81, 92.50, 90.46, 88.63, 86.95, 85.38, 83.91, 81.14, 78.56, 76.12, 73.81, 71.59, 66.35, 61.42, 56.78, 52.34, 48.12, 44.09, 41.38, 100.82, 94.97, 90.75, 87.58, 84.16, 81.59, 77.79, 74.49, 68.35, 62.96, 57.89, 53.47, 48.96, 101.05, 92.84, 84.27, 72.44, 63.12, 55.10, 124.50, 123.70, 122.70, 120.60, 118.53, 115.80, 111.10, 106.70, 100.82, 0.379, 0.372, 0.369, 0.366, 0.364, 0.363, 0.362, 0.360, 0.359, 0.358, 0.357, 0.356, 0.354, 0.353, 0.353, 0.353, 0.352, 0.352 20 restore 10 : dim HB(100) : for i = 1 to cell_no : READ HB(i) : next i 30 plot_xy tot("Cl"), tot("Cl") * HB(cell_no), line_width = 0, color = Magenta, symbol = XCross