Uspeciationred.ppi
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SPECIATION
jobTitle "Speciation vs pH using 'species' plot type"
calculationType species
calculationMethod 1
mainSpecies "U"
xmin 3.0
xmax 10.0
resolution 100
numericTags <pCO2> = "-3.5" \
<pO2> = "-70" # quite strongly reducing
PLOT
plotTitle "U speciation vs pH (reducing conditions)<br>(using speciesvsph.inc)"
pxmin 3.0
pxmajor 1.0
labelSize 1.5
minimumYValueForPlotting 5.0 # only plot species with max(conc)>5%
extraText "extratextUspeciation_red.dat"
CHEMISTRY
include 'speciesvsph.inc' # PHREEQC code for outputting species-concn pairs
PHASES
Fix_H+
H+ = H+
log_k 0.0
SELECTED_OUTPUT
-reset false # omit all default output
SOLUTION 1
temp 25
pH 7
pe 4
units mol/kgw
U 1e-6 # total U
Cl 0.01 # background electrolyte
Na 0.01
END
USE solution 1 # second (final) simulation - loops on this one
EQUILIBRIUM_PHASES
O2(g) <pO2> 0.1
Fix_H+ -<x_axis> NaOH 1
-force_equality true
# Uraninite(c) 0 0 # omit for solution only
CO2(g) <pCO2> 1.0
END
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