scoroditehfo.ppi
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SPECIATION
jobTitle "Fe-As-O2-H2O" # aqueous, minerals and surface species
calculationType ht1
calculationMethod 1
mainSpecies As
xmin 2.0
xmax 12.0
ymin -85.0
ymax 0.0
resolution 200
PLOT
plotTitle "Fe-As-O<sub>2</sub>-H<sub>2</sub>O<br>(represented by a single adsorbed species)"
xtitle pH
pymin -20
yscale pe
extraText "extratextscorodite.dat"
CHEMISTRY
# first simulation
include 'ht1combined.inc' # treat all Hfo-As surface species as one 'super' species for plotting
SOLUTION 1
pH 1.8
units mol/kgw
Fe(3) 1e-1
Na 1e-1
Cl 1e-1
As 1e-2 # total As
END
# second simulation
include 'hfo.inc' # add Hfo surface
USE solution 1
EQUILIBRIUM_PHASES 1
Fix_H+ -<x_axis> NaOH 10
-force_equality true
O2(g) <y_axis> 0.1
Fe(OH)3(a) 0 0 # only consider this oxide
Arsenolite 0 0 # possible As minerals
Claudetite 0 0
Scorodite 0 0
As2O5(cr) 0 0
END
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