pcsorption.inc
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SOLUTION_MASTER_SPECIES
Perchlorate Perchlorate- 0 35 35
[N] [N]O3- 0.0 14.0067 14.0067
SOLUTION_SPECIES
Perchlorate- = Perchlorate-
log_k 0
[N]O3- = [N]O3-
log_k 0
# turn off the reduction of nitrate
#NH4 secondary master species 127
NO3- + 10H+ + 8e- = NH4+ + 3H2O
log_k -99
#N2 secondary master species
2 NO3- + 12 H+ + 10 e- = N2 + 6 H2O
log_k -99
PHASES
Fixed_H+
H+ = H+
log_k 0.
END
# the above is fixed and so can be 'pre-loop' (run only once)
SURFACE 1
Hfo_w <Hfo_w> 600 <mass>
Hfo_s <Hfo_s>
SELECTED_OUTPUT
-reset FALSE
-pH TRUE
USER_PUNCH
-headings %sorbed
10 elt = SYS("<el>")
20 IF (elt>0) THEN pcsorbed = 100*SURF("<el>","Hfo")/elt ELSE pcsorbed = 0
30 PUNCH pcsorbed
EQUILIBRIUM_PHASES
Fixed_H+ -<x_axis> <base> 1
-force_equality true
O2(g) <O2>
SOLUTION 1
-units mol/kgw
pH <x_axis>
<el> <totel>
<cation> <mu>
<anion> <mu>
<solutionspecies>
END
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