gypsumsolubilitypitz.ppi

# 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