1eCh1.ppi

SPECIATION

  calculationType                      custom

  xmin                                 4
  xmax                                 10
  resolution                           41

  database                             minteq.v4.dat 

  numericTags                          <x> = <pxmin>+0.1*(<pxmax>-<pxmin>) \
                                       <y> = <pymax>-0.15*(<pymax>-<pymin>) \
                                       <totFe> = 1e-3 \
                                       <totel> = 5e-7 \
                                       <mass> = <totFe>*89 \
                                       <pH0> = 4 \
                                       <O2> = -0.7 \
                                       <mu> = 0.1 \
                                       <logh> = -<x_axis> \
                                       <Hfo_w> = <totFe>*0.2 \
                                       <Hfo_s> = <totFe>*0.005

  characterTags                        <cation> = "Na" \
                                       <anion> = "N(5)" \
                                       <salt> = "NaNO<sub>3</sub>" \
                                       <base> = "NaOH" \
                                       <el> = "Cr" \
                                       <solutionspecies> = ""

PLOT
  plotTitle                            "Cr(VI): 1ECH1"
  xAxisLength                          140
  customXcolumn                        pH
  xtitle                               "pH"
  ytitle                               "% sorbed"
  lines                                %sorbed
  resolution                           41
  labelSize                            0
  legendTextSize                       0
  extratext                            ..\extratextel.dat 



CHEMISTRY

SOLUTION_SPECIES

CrO4-2 + 2H+ = H2CrO4
	log_k	6.31   # 6.31 = 6.51 + (-0.20) as in D&M Table 10.9. Original 6.4188 as in #  $Id: minteq.v4.dat 794 2006-02-27 21:06:22Z dlpark $
	delta_h	39	kJ
	-gamma	0	0
		#                  Id:	2123301
		#        log K source:	NIST46.4
		#      Delta H source:	NIST46.4
		#T and ionic strength:	 0.00 20.0

SURFACE_SPECIES

# from Table 10.10 but does not fit data with logK1=10.82 or 10.85
Hfo_sOH + CrO4-2 = Hfo_sOHCrO4-2
	log_k	-99 #3.9
	delta_h	0	kJ
		#                  Id:	8112121
		#        log K source:
		#      Delta H source:
		#T and ionic strength:

Hfo_wOH + CrO4-2 = Hfo_wOHCrO4-2
	log_k	-99 #3.9
	delta_h	0	kJ
		#                  Id:	8122121
		#        log K source:
		#      Delta H source:
		#T and ionic strength:


include '..\pcsorption.inc'