Se_species.ppi

# plots selenium speciation betwenn pH 3-9 and log O2(g) -80 to 0 atm.

SPECIATION

  calculationType                      species
  calculationMethod                    1

  mainSpecies                          Se

  xmin                                 3
  xmax                                 9
  resolution                           61

  loopmin                              -80
  loopmax                              0
  loopint                              10

  numericTags                          <O2> = <loop> \
                                       <mu> = 0.01

  characterTags                        <cation> = "Na" \
                                       <anion> = "Cl" \
                                       <base> = "NaOH" \
                                       <solutionspecies> = "Se  1e-4"

PLOT
  plotTitle                            "Selenium speciation"
  xAxisLength                          140
  customXcolumn                        pH
  useLineColorDictionary               1
  multipageFile                        t
  pdf                                  t
  legendTitle                          "log O<sub>2</sub>(g) = <loop> atm"


CHEMISTRY

include 'logspeciesvsph.inc' 

PRINT
  -reset T

PHASES
  Fixed_H+
  H+ = H+
  log_k 0.

SOLUTION 1
  -units mol/kgw
  pH   <x_axis>
  <cation>   <mu>
  <anion>    <mu>
  <solutionspecies>

EQUILIBRIUM_PHASES
  Fixed_H+ -<x_axis> <base>
  -force_equality true
  O2(g)  <O2>

END