ex8
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TITLE Example 8.--Sorption of zinc on hydrous
iron oxides.
SURFACE_SPECIES
Hfo_sOH + H+ = Hfo_sOH2+
log_k 7.18
Hfo_sOH = Hfo_sO- + H+
log_k -8.82
Hfo_sOH + Zn+2 = Hfo_sOZn+ + H+
log_k 0.66
Hfo_wOH + H+ = Hfo_wOH2+
log_k 7.18
Hfo_wOH = Hfo_wO- + H+
log_k -8.82
Hfo_wOH + Zn+2 = Hfo_wOZn+ + H+
log_k -2.32
SURFACE 1
Hfo_sOH 5e-6 600. 0.09
Hfo_wOH 2e-4
SOLUTION 1
-units mmol/kgw
pH 8.0
Zn 0.0001
Na 100. charge
N(5) 100.
SOLUTION 2
-units mmol/kgw
pH 8.0
Zn 0.1
Na 100. charge
N(5) 100.
USE solution none
#
# Model definitions
#
PHASES
Fix_H+
H+ = H+
log_k 0.0
END
#
# Zn = 1e-7
#
SELECTED_OUTPUT
-file ex8.sel
-molalities Zn+2 Hfo_wOZn+ Hfo_sOZn+
USE solution 1
USE surface 1
EQUILIBRIUM_PHASES 1
Fix_H+ -5.0 NaOH 10.0
END
USE solution 1
USE surface 1
EQUILIBRIUM_PHASES 1
Fix_H+ -5.25 NaOH 10.0
END
USE solution 1
USE surface 1
EQUILIBRIUM_PHASES 1
Fix_H+ -5.5 NaOH 10.0
END
USE solution 1
USE surface 1
EQUILIBRIUM_PHASES 1
Fix_H+ -5.75 NaOH 10.0
END
USE solution 1
USE surface 1
EQUILIBRIUM_PHASES 1
Fix_H+ -6.0 NaOH 10.0
END
USE solution 1
USE surface 1
EQUILIBRIUM_PHASES 1
Fix_H+ -6.25 NaOH 10.0
END
USE solution 1
USE surface 1
EQUILIBRIUM_PHASES 1
Fix_H+ -6.5 NaOH 10.0
END
USE solution 1
USE surface 1
EQUILIBRIUM_PHASES 1
Fix_H+ -6.75 NaOH 10.0
END
USE solution 1
USE surface 1
EQUILIBRIUM_PHASES 1
Fix_H+ -7.0 NaOH 10.0
END
USE solution 1
USE surface 1
EQUILIBRIUM_PHASES 1
Fix_H+ -7.25 NaOH 10.0
END
USE solution 1
USE surface 1
EQUILIBRIUM_PHASES 1
Fix_H+ -7.5 NaOH 10.0
END
USE solution 1
USE surface 1
EQUILIBRIUM_PHASES 1
Fix_H+ -7.75 NaOH 10.0
END
USE solution 1
USE surface 1
EQUILIBRIUM_PHASES 1
Fix_H+ -8.0 NaOH 10.0
END
#
# Zn = 1e-4
#
USE solution 2
USE surface 1
EQUILIBRIUM_PHASES 1
Fix_H+ -5.0 NaOH 10.0
END
USE solution 2
USE surface 1
EQUILIBRIUM_PHASES 1
Fix_H+ -5.25 NaOH 10.0
END
USE solution 2
USE surface 1
EQUILIBRIUM_PHASES 1
Fix_H+ -5.5 NaOH 10.0
END
USE solution 2
USE surface 1
EQUILIBRIUM_PHASES 1
Fix_H+ -5.75 NaOH 10.0
END
USE solution 2
USE surface 1
EQUILIBRIUM_PHASES 1
Fix_H+ -6.0 NaOH 10.0
END
USE solution 2
USE surface 1
EQUILIBRIUM_PHASES 1
Fix_H+ -6.25 NaOH 10.0
END
USE solution 2
USE surface 1
EQUILIBRIUM_PHASES 1
Fix_H+ -6.5 NaOH 10.0
END
USE solution 2
USE surface 1
EQUILIBRIUM_PHASES 1
Fix_H+ -6.75 NaOH 10.0
END
USE solution 2
USE surface 1
EQUILIBRIUM_PHASES 1
Fix_H+ -7.0 NaOH 10.0
END
USE solution 2
USE surface 1
EQUILIBRIUM_PHASES 1
Fix_H+ -7.25 NaOH 10.0
END
USE solution 2
USE surface 1
EQUILIBRIUM_PHASES 1
Fix_H+ -7.5 NaOH 10.0
END
USE solution 2
USE surface 1
EQUILIBRIUM_PHASES 1
Fix_H+ -7.75 NaOH 10.0
END
USE solution 2
USE surface 1
EQUILIBRIUM_PHASES 1
Fix_H+ -8.0 NaOH 10.0
END
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