1eAt1.ppi

SPECIATION
  calculationType                      custom

  xmin                                 3
  xmax                                 11
  resolution                           41

  numericTags                          <x> = <pxmin>+0.1*(<pxmax>-<pxmin>) \
                                       <y> = <pymax>-0.15*(<pymax>-<pymin>) \
                                       <totFe> = 4.94e-5 \
                                       <totel> = 6.67e-7 \
                                       <mass> = <totFe>*89 \
                                       <pH0> = 2.9 \
                                       <O2> = -65 \
                                       <mu> = 0.01 \
                                       <Hfo_w> = <totFe>*0.2 \
                                       <Hfo_s> = <totFe>*0.005

  characterTags                        <cation> = "Na" \
                                       <anion> = "N(5)" \
                                       <salt> = "NaNO<sub>3</sub>" \
                                       <base> = "NaOH" \
                                       <el> = "As" \
                                       <solutionspecies> = ""

PLOT
  plotTitle                            "As(III): 1EAT1"
  xAxisLength                          140
  customXcolumn                        pH
  xtitle                               "pH"
  ytitle                               "% sorbed"
  pymin                                0
  pymax                                100
  lines                                %sorbed
  resolution                           81
  labelSize                            0
  legendTextSize                       0
  extratext                            ..\extratextel.dat 



CHEMISTRY

include '..\pcsorption.inc'