Cuedta.ppi

SPECIATION
  Database                             "minteq.v4.dat"                         # for EDTA
  calculationType                      ht1
  calculationMethod                    1
  mainSpecies                          Cu
  xmin                                 2.0                                     # pH range
  xmax                                 10.0
  ymin                                 -85.0                                   # O2(g) range
  ymax                                 0.0
  resolution                           300
PLOT
  plotTitle                            "Cu-EDTA<br>(using minteq.v4.dat)"
  xtitle                               pH
  pymin                                -10.0
  yscale                               pe                                      # use pe scale even though redox controlled by PO2(g)
  domain                               F                                       # omit domain boundary lines
  extraText                            "extratextCuedta.dat"

CHEMISTRY

PHASES
H2(g)                                                                          # not in minteq.dat
   H2 = H2
   log_k   -3.150                                                              # solubility of H2(g)
   delta_h -1.759  kcal

include 'ht1.inc'                                                              # standard hunt and track file

SOLUTION 1                                                                     # initial solution calculation
   temp  25
   pH    1.8                                                                   # start ing pH below minimum pH cos adding NaOH
   units mol/kgw
   Cu    1e-4                                                                  # total concentrations
   Edta  1e-4
   Na    1e-1                                                                  # background electrolyte
   Cl    1e-1                                                                  #
END

USE solution 1                                                                 # faster split into two simulations as here
                                                                               # - only loops on last simulation by default
EQUILIBRIUM_PHASES 1
   Fix_H+ -<x_axis>  NaOH 10                                                   # negative sign converts pH to logH
     -force_equality true
   O2(g)  <y_axis>  0.1                                                        # limit to 0.1 mol O2 max

   Atacamite       0 0                                                         # possible minerals
   Cu(OH)2         0 0
   CuMetal         0 0
   Cuprite         0 0
   Melanothallite  0 0
   Nantokite       0 0
   Tenorite        0 0
END