Se_species.ppi
|
|
|
# plots selenium speciation betwenn pH 3-9 and log O2(g) -80 to 0 atm.
SPECIATION
calculationType species
calculationMethod 1
mainSpecies Se
xmin 3
xmax 9
resolution 61
loopmin -80
loopmax 0
loopint 10
numericTags <O2> = <loop> \
<mu> = 0.01
characterTags <cation> = "Na" \
<anion> = "Cl" \
<base> = "NaOH" \
<solutionspecies> = "Se 1e-4"
PLOT
plotTitle "Selenium speciation"
xAxisLength 140
customXcolumn pH
useLineColorDictionary 1
multipageFile t
pdf t
legendTitle "log O<sub>2</sub>(g) = <loop> atm"
CHEMISTRY
include 'logspeciesvsph.inc'
PRINT
-reset T
PHASES
Fixed_H+
H+ = H+
log_k 0.
SOLUTION 1
-units mol/kgw
pH <x_axis>
<cation> <mu>
<anion> <mu>
<solutionspecies>
EQUILIBRIUM_PHASES
Fixed_H+ -<x_axis> <base>
-force_equality true
O2(g) <O2>
END
|
|