As3-Pfig6right.ppi

# Stachowicz et al. (2008), Fig 6 (right)  As(III)-P competition
# Journal of Colloid and Interface Science 320 (2008) 400414.

SPECIATION
  calculationType                      custom
  calculationMethod                    1
  xmin                                 3.0
  xmax                                 12.0
  resolution                           91

  loopFile                             loopfileAs3-Pfig6.dat 
  numericTags                          <mass> = 5

PLOT
  plotTitle                            "CD-MUSIC: As(III)-P competition<br>(after Stachowicz et al., 2008, Fig. 6 (right))"
  xtitle                               pH
  ytitle                               "P in solution, log (mol/L)"

  xaxislength                          110
  pxmin                                3
  pxmajor                              2
  pymin                                -7
  pymax                                -2
  customxcolumn                        pH
  lines                                P
  changeColor                          T
  labelsize                            2

  extratext                            extratextfig6right.dat 

CHEMISTRY

SELECTED_OUTPUT
  -reset false

SOLUTION 1
  Temp      25
  pH        3
  units     mol/kgw
  As        <AsT> mmol/kgw                                 # total As from the loopfile
  P         <PT> mmol/kgw                                  # total P
  Na        1e-1                                           # background electrolyte
  [N5]      1e-1                                           # [N5] is not N(5) to avoid redox control


include 'ecosat.dat'                                       # aqueous species database
include 'cdmusic_hiemstra.dat'                             # adsorbed species database

USER_PUNCH
-headings pH P                                             # these column names are used in customxcolumn and lines above
10 PUNCH -la("H+"), log10(tot("P"))

PHASES ; Fix_H+; H+ = H+ ; log_k 0

SURFACE 1
  Goe_uniOHH0.5 3.45 98 <mass>   # sites/nm2  m2/g  g
    -cap    0.85  0.75           # C1  C2  (in F/m2)
  Goe_triOH0.5  2.7
    -cd_music
    -sites_units density

EQUILIBRIUM_PHASES 1
  Fix_H+  -<x_axis> NaOH
    -force_equality true
  O2(g)   -70
END