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104 lines
2.6 KiB
Plaintext
104 lines
2.6 KiB
Plaintext
TITLE Example 8.--Sorption of zinc on hydrous iron oxides.
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SURFACE_SPECIES
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Hfo_sOH + H+ = Hfo_sOH2+
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log_k 7.18
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Hfo_sOH = Hfo_sO- + H+
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log_k -8.82
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Hfo_sOH + Zn+2 = Hfo_sOZn+ + H+
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log_k 0.66
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Hfo_wOH + H+ = Hfo_wOH2+
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log_k 7.18
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Hfo_wOH = Hfo_wO- + H+
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log_k -8.82
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Hfo_wOH + Zn+2 = Hfo_wOZn+ + H+
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log_k -2.32
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SURFACE 1
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Hfo_sOH 5e-6 600. 0.09
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Hfo_wOH 2e-4
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# -donnan
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END
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SOLUTION 1
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-units mmol/kgw
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pH 8.0
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Zn 0.0001
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Na 100. charge
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N(5) 100.
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SELECTED_OUTPUT
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-file Zn1e_7
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-reset false
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USER_PUNCH
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10 FOR i = 5.0 to 8 STEP 0.25
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20 a$ = EOL$ + "USE solution 1" + CHR$(59) + " USE surface 1" + EOL$
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30 a$ = a$ + "EQUILIBRIUM_PHASES 1" + EOL$
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40 a$ = a$ + " Fix_H+ " + STR$(-i) + " NaOH 10.0" + EOL$
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50 a$ = a$ + "END" + EOL$
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60 PUNCH a$
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70 NEXT i
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END
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SOLUTION 2
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-units mmol/kgw
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pH 8.0
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Zn 0.1
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Na 100. charge
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N(5) 100.
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SELECTED_OUTPUT
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-file Zn1e_4
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-reset false
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USER_PUNCH
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10 FOR i = 5 to 8 STEP 0.25
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20 a$ = EOL$ + "USE solution 2" + CHR$(59) + " USE surface 1" + EOL$
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30 a$ = a$ + "EQUILIBRIUM_PHASES 1" + EOL$
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40 a$ = a$ + " Fix_H+ " + STR$(-i) + " NaOH 10.0" + EOL$
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50 a$ = a$ + "END" + EOL$
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60 PUNCH a$
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70 NEXT i
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END
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#
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# Model definitions
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#
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PHASES
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Fix_H+
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H+ = H+
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log_k 0.0
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END
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#
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# Zn = 1e-7
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SELECTED_OUTPUT
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-file ex8.sel
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-reset true
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-molalities Zn+2 Hfo_wOZn+ Hfo_sOZn+
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USER_PUNCH
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10
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USER_GRAPH 1 Example 8
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-headings pH Zn_solute Zn_weak_sites Zn_strong_sites Charge_Balance
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-chart_title "Total Zn = 1e-7 molal"
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-axis_titles pH "MOLES PER KILOGRAM WATER" "CHARGE BALANCE, IN MILLIEQUIVALENTS"
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-axis_scale x_axis 5.0 8.0 1 0.25
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-axis_scale y_axis 1e-11 1e-6 1 1 log
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-axis_scale sy_axis -0.15 0 0.03
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-start
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10 GRAPH_X -LA("H+")
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20 GRAPH_Y MOL("Zn+2"), MOL("Hfo_wOZn+"), MOL("Hfo_sOZn+")
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30 GRAPH_SY CHARGE_BALANCE * 1e3
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-end
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INCLUDE$ Zn1e_7
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END
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USER_GRAPH 1
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-detach
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END
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#
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# Zn = 1e-4
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USER_GRAPH 2 Example 8
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-chart_title "Total Zn = 1e-4 molal"
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-headings pH Zn_solute Zn_weak_sites Zn_strong_sites Charge_Balance
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-axis_titles pH "MOLES PER KILOGRAM WATER" "CHARGE BALANCE, IN MILLIEQUIVALENTS"
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-axis_scale x_axis 5.0 8.0 1 0.25
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-axis_scale y_axis 1e-8 1e-3 1 1 log
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-axis_scale sy_axis -0.15 0 0.03
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-start
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10 GRAPH_X -LA("H+")
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20 GRAPH_Y MOL("Zn+2"), MOL("Hfo_wOZn+"), MOL("Hfo_sOZn+")
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30 GRAPH_SY CHARGE_BALANCE * 1e3
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-end
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INCLUDE$ Zn1e_4
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END |