02 - Fit Langmuir Isotherm

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

This example fits lab data by adjusting the logK Zn sorption.

Studies

This project contains 2 Studies.

• PhreeqcStudy: “study_02 - Fit Langmuir Isotherm”

Db used: “wateq4f_dat” database

PHASES

Fix_H+

  H+ = H+

  log_k 0.0

SURFACE_MASTER_SPECIES

  Surf Surf

SURFACE_SPECIES

  Surf = Surf

  log_k  0.0

  Surf + Zn+2 = SurfZn+2                                             # Langmuir model

  log_K @{$log_k$}@                                                      # this is where log_k (updated parameter value) is substituted

PRINT

    -reset false

SOLUTION 1

  -pH @{$pHobs$}@

  -units mmol/L

  Na   1000                                                          # 1 M NaNO3 background electrolyte

  N(5) 1000

  Zn   @{$Znconcn$}@                                                     # <Znconcn> from iso.dat

SURFACE

  Surf @{$M_param$}@                                                          # this is where the max number of sites (updated parameter) is substituted

  -equil 1

  -no_edl

EQUILIBRIUM_PHASES

  Fix_H+ @{$-pHobs$}@  NaOH                                              # pHobs from the fit data file

  -force_equality true

END

/n

• CeresStudy: “CeresStudy”

Plots

This project contains 1 Plots.

• Plot 1: “HfPlotlyPlot”