# Zn Sorption edge
SOLUTION 1
 pH 13; Na 150; N(5) 100 charge
SURFACE 1
 Hfo_w 0.2e-3 600 88e-3; Hfo_s 0.5e-5; -equil 1
REACTION 1
 ZnNO3 1; 1e-6
USER_graph
 -headings pH Zn_tot=1uM
 -chart_title "Zn sorption on 88 mg Ferrihydrite"
 -axis_titles "pH"  "% sorbed"
  -axis_scale x_axis 4 14 2 1
 # -axis_scale y_axis 0 100 25
 -connect_simulations true
 -initial_solutions false
 -start
 10 graph_x -la("H+")
 20 graph_y (1e-6 - tot("Zn")) / 1e-6 * 100
 -end

 # write out the other pH solutions and sorption reactions...
SELECTED_OUTPUT; -reset false; -file Zn_1um.prn
USER_PUNCH
10 if step_no = 0 then goto 100
20 sc$ = chr$(59)
30 for i = 12.5 to 4 step -0.5
40   punch "SOLUTION 1" + sc$ + " pH " + str$(i) + sc$ + " Na 100" + sc$ + " N(5) 100 charge" + eol$
50   punch "SURFACE 1" + sc$ + " Hfo_w 0.2e-3 600 88e-3" + sc$ + " Hfo_s 0.5e-5" + sc$ + "  -equil 1" + eol$
60   punch "REACTION 1" + sc$ + "  ZnNO3 1" + sc$ + "  1e-6" + eol$
70   punch "END" + eol$
80 next i
100 end
END

PRINT; -reset false; -selected_out false
INCLUDE$ Zn_1um.prn
END

USER_GRAPH; -connect_sim false
END

# Now for 10 uM Zn.
# if you don't want to program, write the solutions etc. explicitly...
SOLUTION 1
 pH 13; Na 150; N(5) 100 charge
SURFACE 1
 Hfo_w 0.2e-3 600 88e-3; Hfo_s 0.5e-5; -equil 1
REACTION 1
 ZnNO3 1; 10e-6

USER_graph
 -headings pH Zn_tot=10uM
 -connect_simulations true
 10 graph_x -la("H+")
 20 graph_y (10e-6 - tot("Zn")) / 10e-6 * 100
 -end
END

SOLUTION 1; pH 12.5; Na 100; N(5) 100 charge
SURFACE 1; Hfo_w 0.2e-3 600 88e-3; Hfo_s 0.5e-5; -equil 1
REACTION 1; ZnNO3 1; 10e-6
END

SOLUTION 1; pH 12.0; Na 100; N(5) 100 charge
SURFACE 1; Hfo_w 0.2e-3 600 88e-3; Hfo_s 0.5e-5; -equil 1
REACTION 1; ZnNO3 1; 10e-6
END


SOLUTION 1; pH  11.5; Na 100; N(5) 100 charge
SURFACE 1; Hfo_w 0.2e-3 600 88e-3; Hfo_s 0.5e-5; -equil 1
REACTION 1; ZnNO3 1; 10e-6
END

SOLUTION 1; pH  11.0; Na 100; N(5) 100 charge
SURFACE 1; Hfo_w 0.2e-3 600 88e-3; Hfo_s 0.5e-5; -equil 1
REACTION 1; ZnNO3 1; 10e-6
END

SOLUTION 1; pH  10.5; Na 100; N(5) 100 charge
SURFACE 1; Hfo_w 0.2e-3 600 88e-3; Hfo_s 0.5e-5; -equil 1
REACTION 1; ZnNO3 1; 10e-6
END

SOLUTION 1; pH  8.5; Na 100; N(5) 100 charge
SURFACE 1; Hfo_w 0.2e-3 600 88e-3; Hfo_s 0.5e-5; -equil 1
REACTION 1; ZnNO3 1; 10e-6
END

SOLUTION 1; pH  8.0; Na 100; N(5) 100 charge
SURFACE 1; Hfo_w 0.2e-3 600 88e-3; Hfo_s 0.5e-5; -equil 1
REACTION 1; ZnNO3 1; 10e-6
END

SOLUTION 1; pH  7.5; Na 100; N(5) 100 charge
SURFACE 1; Hfo_w 0.2e-3 600 88e-3; Hfo_s 0.5e-5; -equil 1
REACTION 1; ZnNO3 1; 10e-6
END

SOLUTION 1; pH  7.0; Na 100; N(5) 100 charge
SURFACE 1; Hfo_w 0.2e-3 600 88e-3; Hfo_s 0.5e-5; -equil 1
REACTION 1; ZnNO3 1; 10e-6
END

SOLUTION 1; pH  6.5; Na 100; N(5) 100 charge
SURFACE 1; Hfo_w 0.2e-3 600 88e-3; Hfo_s 0.5e-5; -equil 1
REACTION 1; ZnNO3 1; 10e-6
END

SOLUTION 1; pH  6.0; Na 100; N(5) 100 charge
SURFACE 1; Hfo_w 0.2e-3 600 88e-3; Hfo_s 0.5e-5; -equil 1
REACTION 1; ZnNO3 1; 10e-6
END

SOLUTION 1; pH  5.5; Na 100; N(5) 100 charge
SURFACE 1; Hfo_w 0.2e-3 600 88e-3; Hfo_s 0.5e-5; -equil 1
REACTION 1; ZnNO3 1; 10e-6
END

SOLUTION 1; pH  5.0; Na 100; N(5) 100 charge
SURFACE 1; Hfo_w 0.2e-3 600 88e-3; Hfo_s 0.5e-5; -equil 1
REACTION 1; ZnNO3 1; 10e-6
END

SOLUTION 1; pH  4.5; Na 100; N(5) 100 charge
SURFACE 1; Hfo_w 0.2e-3 600 88e-3; Hfo_s 0.5e-5; -equil 1
REACTION 1; ZnNO3 1; 10e-6
END

SOLUTION 1; pH  4.0; Na 100; N(5) 100 charge
SURFACE 1; Hfo_w 0.2e-3 600 88e-3; Hfo_s 0.5e-5; -equil 1
REACTION 1; ZnNO3 1; 10e-6
END