# D_CaCl2 = 1.336e-9
#database phreeqc.dat # contains Dw's since version 2.17
SOLUTION_MASTER_SPECIES
#element        species alk     gfw_formula     element_gfw
Ca_t    Ca_t+0  0       Ca_t    40
SOLUTION_SPECIES
Ca_t+0 = Ca_t+0; log_k 0; -gamma 5 0.165; Dw 1.336e-9
SOLUTION 0
 Ca 0.1; Cl 0.2; Ca_t 1e-4
SOLUTION 1-20
 K 1e-4; Br 1e-4
END
PRINT; -reset false; -status false
TRANSPORT
 -cells 10; -lengths 0.1
 -shifts 1; -flow_direction diffusion
 -boundary_conditions 1 2
 -time_step 9e7
 -multi_d true 1.34e-9 0.3 0 1
USER_GRAPH
 -headings dist Ca Cl/2 1.34e-9
 -axis_titles "Distance / m"  "mmol / L"
 -chart_title "MCD and classic diffusion of 0.1 mM CaCl2"
 -axis_scale x_axis 0 1 0.2
 -axis_scale y_axis 0 0.11 0.02
 -plot_concentration_vs x
 -connect_simulations true
 -initial_solutions true
 -start
 10 if step_no > 0 then goto 60
 20   if cell_no > 1 then goto 80
# concentrations at the boundary (x = 0, solution 0)...
 30   graph_x 0
 40   graph_y 0.1, 0.1, 0.1
 50   goto 80
 60 graph_x dist
 70 graph_y tot("Ca")*1e3, tot("Cl")*1e3/2, tot("Ca_t")*1e6
 80 end
 -end
END
SOLUTION 1-20
USER_GRAPH; -active false # deactivates USER_GRAPH no
-connect_simulations false # for new line colors, symbols
END
USER_GRAPH; -active true; -connect_simulations true
 -headings dist 'classic'..Ca Cl/2 1.34e-9
TRANSPORT
 -multi_d false; -diffc 0.402e-9; -shifts 1
END