contourFeAsS.ppi

# 2D contour plot of total dissolved As as a function of pH and log f O2(g) for a fixed initial Fe(2)T, S(6)T and AsT

# cf predominance plot, FeAsSall.ppi
# default database = wateq4f.dat

SPECIATION
  calculationType                      contour
  calculationMethod                    1
  xmin                                 2
  xmax                                 12
  ymin                                 -90
  ymax                                 0
  contourZvariable                     AsT
  resolution                           100

PLOT
  xtitle                               "pH"
  ytitle                               "log <i>f </i>O<sub>2</sub>(g)"
  simplify                             0.1
  contours                             auto 10 p
  contourFillColor                     auto
  contourLineWidth                     0.2
  contourLineColor                     black
  contourShiftLabel                    c 1 5 -5  1 7 -2   1 10 -1   1 14 -2  1 16 -1
  contourLabelSize                     1.5
  contourLabelFigs                     auto
  contourLabelFont                     Helvetica
  contourLabelColor                    black
  background                           nd sky0

  extraText                            extratextcontourFeAsS.dat 


CHEMISTRY
  PHASES
    Fix_H+
    H+ = H+
    log_k 0
  SELECTED_OUTPUT
      -reset false
  USER_PUNCH
      -heading  pH logfO2 pe AsT
    10 PUNCH -la("H+"), SI("O2(g)"), -la("e-"), log10(TOT("As"))
      -end
  SOLUTION 1
    Temp      20
    pH        1.8
    units     mol/kgw
    Fe(2)     3.5e-1
    As        1e-2
    S(6)      1e-2
    Na        1e-1
    Cl        1e-1
  END

  include 'hfo.inc' 

  USE solution 1
  EQUILIBRIUM_PHASES 1
    Fix_H+     -<x_axis> NaOH
      -force_equality true
    O2(g)      <y_axis>            0.1
    As_native                      0 0
    Orpiment                       0 0
    Realgar                        0 0
    As2S3(am)                      0 0
    Pyrite                         0 0
    Arsenolite                     0 0
    Claudetite                     0 0
    Mackinawite                    0 0
    FeS(ppt)                       0 0
    Sulfur                         0 0
    Fe(OH)3(a)                     0 0
    Greigite                       0 0
    Scorodite                      0 0
    Mirabilite                     0 0
    Melanterite                    0 0
    Thenardite                     0 0
    As2O5(cr)                      0 0
    Jarosite-Na                    0 0
    JarositeH                      0 0
  END