Uspeciation_animate.ppi

SPECIATION
  jobTitle                             "Speciation vs pH using 'species' plot type"
  calculationType                      species
  calculationMethod                    1
  mainSpecies                          "U"
  xmin                                 3.0
  xmax                                 10.0
  loopmin                              -70
  loopmax                              -50
  loopint                              1
  resolution                           100
  numericTags                          <pCO2> = "-3.5" \
                                       <pO2> = <loop>                 # quite strongly reducing
PLOT
  plotTitle                            "U speciation vs pH (varying redox)"
  pxmin                                3.0
  pxmajor                              1.0
  useLineColorDictionary               1                             # force colours of species to be fixed between plots
  labelSize                            1.5
  minimumYValueForPlotting             5.0                           # only plot species with max(conc)>5%
  extraText                            "extratextUspeciation_animate.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