gypsumsolubilitypitz.ppi
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# Example from Charlton & Parkhurst (2011) Computers & Geosciences, doi:10.1016/j.cageo.2011.02.005
# ftp://brrcrftp.cr.usgs.gov/pub/charlton/iphreeqc/IPhreeqc.pdf
#
# First run gypsumsolubilitywqf.ppi to generate wateq4f.dat data in (gypsumsolubilitywqf.out) file.
# This script will then plot both curves in one plot
SPECIATION
calculationType custom
calculationMethod 1
database pitzer.dat
resolution 1
selectedOutputLines auto # write all the selected output lines to the out file, not just the last one
PLOT
plotTitle "Solubility of gypsum in sodium chloride solutions <br>calculated using the wateq4f.dat and the pitzer.dat databases"
xtitle "NaCl, MOLES PER KILOGRAM WATER"
ytitle "GYPSUM SOLUBILITY, MOLES PER KILOGRAM WATER"
axisTitleSize 2.2
axisNumberSize 2.2
customXcolumn NaCl # x-axis variable
lines Gypsum_pitz Gypsum_wqf
xaxislength 130 # mm
yaxislength 100
pymin 0
pymax 0.06
pxminor 0 # no minor ticks
pyminor 0
linewidth 0.3 -0.3 # full line then dashed line
labels PITZER WATEQ4F # relabel
convertLabels F # prevent subscript 4 in WATEQ4F
legendTextSize 0 # no legend
trackSymbolSize 0 # no label anchors
extradat gypsumsolubilitywqf.out # the data generated by gypsumsolubilitywqf.ppi
CHEMISTRY
SOLUTION 1 # make a kg of water
END
INCREMENTAL_REACTIONS
REACTION
NaCl 1.0
0 60*0.1 moles # PHREEQC does its own looping here
EQUILIBRIUM_PHASES
Gypsum
USE solution 1
SELECTED_OUTPUT
-reset false
USER_PUNCH
-headings NaCl Gypsum_pitz # give gypsum solubility column a unique name
10 PUNCH TOT("Na"), TOT("S(6)")
END
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