03 - Fit Ni Sorption

This example corresponds to the an example from Phreeplot manual (Kinniburgh, D., & Cooper, D. (2011). PhreePlot: Creating graphical output with PHREEQC).

Studies

This project contains 2 Studies.

  • PhreeqcStudy: “study_03 - Fit Ni Sorption”

Db used: “wateq4f_dat” database

TITLE Goethite surface 1pK model, Ni sorption 1 site.
PHASES
Fix_H+
  H+ = H+
  log_k 0.
SURFACE_MASTER_SPECIES
        Fes_   Fes_OH-0.5
SURFACE_SPECIES
        Fes_OH-0.5  = Fes_OH-0.5                                               # surface charging
        log_k  0.0
        Fes_OH-0.5  + H+ = Fes_OH2+0.5
        log_k 8.50
        2Fes_OH-0.5 + Ni+2 = (Fes_OH)2Ni+                                      # bidentate model
        log_k  @{$log_k1$}@
        2Fes_OH-0.5 + Ni+2 + H2O = (Fes_OH)2NiOH + H+
        log_k @{$log_k2$}@
SURFACE 1
# -diffuse_layer
# -no_edl
  Fes_OH-0.5    1.09e-3  32.7    3.33                                          # goethite parameters
SOLUTION 1
  units mol/kgw
  Ni     0.4258e-3                                                             # NiT
  Na     0.1                                                                   # background electrolyte
  N(5)   0.1 charge
EQUILIBRIUM_PHASES
  O2(g)  -0.67   0.1
  Fix_H+ -@{$pHobs$}@ NaOH
    -force_equality true
  Ni(OH)2 0 0
END

/n

  • CeresStudy: “CeresStudy”

Plots

This project contains 1 Plots.

  • Plot 1: “HfPlotlyPlot”

HfPlotlyPlot.svg