contourFeAsS.ppi
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# 2D contour plot of total dissolved As as a function of pH and log f O2(g) for a fixed initial Fe(2)T, S(6)T and AsT
# cf predominance plot, FeAsSall.ppi
# default database = wateq4f.dat
SPECIATION
calculationType contour
calculationMethod 1
xmin 2
xmax 12
ymin -90
ymax 0
contourZvariable AsT
resolution 100
PLOT
xtitle "pH"
ytitle "log <i>f </i>O<sub>2</sub>(g)"
simplify 0.1
contours auto 10 p
contourFillColor auto
contourLineWidth 0.2
contourLineColor black
contourShiftLabel c 1 5 -5 1 7 -2 1 10 -1 1 14 -2 1 16 -1
contourLabelSize 1.5
contourLabelFigs auto
contourLabelFont Helvetica
contourLabelColor black
background nd sky0
extraText extratextcontourFeAsS.dat
CHEMISTRY
PHASES
Fix_H+
H+ = H+
log_k 0
SELECTED_OUTPUT
-reset false
USER_PUNCH
-heading pH logfO2 pe AsT
10 PUNCH -la("H+"), SI("O2(g)"), -la("e-"), log10(TOT("As"))
-end
SOLUTION 1
Temp 20
pH 1.8
units mol/kgw
Fe(2) 3.5e-1
As 1e-2
S(6) 1e-2
Na 1e-1
Cl 1e-1
END
include 'hfo.inc'
USE solution 1
EQUILIBRIUM_PHASES 1
Fix_H+ -<x_axis> NaOH
-force_equality true
O2(g) <y_axis> 0.1
As_native 0 0
Orpiment 0 0
Realgar 0 0
As2S3(am) 0 0
Pyrite 0 0
Arsenolite 0 0
Claudetite 0 0
Mackinawite 0 0
FeS(ppt) 0 0
Sulfur 0 0
Fe(OH)3(a) 0 0
Greigite 0 0
Scorodite 0 0
Mirabilite 0 0
Melanterite 0 0
Thenardite 0 0
As2O5(cr) 0 0
Jarosite-Na 0 0
JarositeH 0 0
END
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