minstab.ppi
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# an example of a classical mineral stability diagram - diagram only includes minerals (not aqueous etc species)
SPECIATION
jobTitle "Clay mineral stability diagram"
Database "phreeqc.dat"
calculationType ht1 # use this approach for finding field boundaries of most abundant minerals
calculationMethod 1
mainSpecies "minerals" # NB "minerals" is a special case that invokes this type of plot
xmin -5.0
xmax -1.0
ymin -2.0
ymax 8.0
resolution 200
PLOT
plotTitle "Clay mineral stability diagram<br>(using mainSpecies = minerals)"
xtitle "log H<sub>4</sub>SiO<sub>4</sub>"
ytitle "log (K/H)"
extraText "extratextminstab.dat"
CHEMISTRY
# first simulation - initial solution calculation
include 'minstab1.inc' # special file for generating mineral stability diagrams
PHASES
Fix_Si # used for driving the x-axis variable
H4SiO4 = H4SiO4
log_k 0.0
Fix_H/K # used for driving the y-axis variable
KOH = K+ + H2O - H+
log_k 0.0
PRINT
reset FALSE
SOLUTION 1
pH 4
units mol/kgw
K 0 # added by reaction
Na 1e-2
Cl 1e-2
Al 1e-2
Si 0 #added by reaction
Ca 1e-0
END
# second (final) simulation - iterates on this simulation when driving the x- and y-axes
USE solution 1
EQUILIBRIUM_PHASES 1
Fix_Si <x_axis> H4SiO4 10 # fix H4SiO4 activity
Fix_H/K <y_axis> KOH 10 # fix H/K activity ratio
Kaolinite 0 0 # list of minerals considered
K-feldspar 0 0
K-mica 0 0
Gibbsite 0 0
# SiO2(a) 0 0 # can't add this cos Si activity fixed by Fix_Si
Ca-Montmorillonite 0 0
END
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