gypsumsolubilitywqf.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 this to generate wateq4f.dat data (gypsumsolubilitywqf.out) then run gypsumsolubilitypitz.ppi to generate Pitzer curve and plot both

SPECIATION
  calculationType                      custom
  calculationMethod                    -1   # don't plot
  database                             wateq4f.dat
  resolution                           1
  selectedOutputLines                  auto

CHEMISTRY

SOLUTION 1
END

INCREMENTAL_REACTIONS
REACTION
NaCl 1.0
0 60*0.1 moles
EQUILIBRIUM_PHASES
Gypsum
USE solution 1
SELECTED_OUTPUT
-reset false
USER_PUNCH
 -headings NaCl Gypsum_wqf       # give gypsum solubility column a unique name
  10 PUNCH TOT("Na"), TOT("S(6)")
END