[OLD] HFO sorbing surfaces

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From: Katie Aguilar

Subject: HFO Sorbing Surfaces

I am modeling leachate through a clay layer. The contaminants of concern are metals, there are no organics in this problem. I am trying to model the natural attenuation in clay as the leachate runs through a set volume of clay (8 cubic feet) with a CEC = 0.6 eq/g. The model works well when I use

the ion exchange script for the model. However, when I add in the FeOH script, it tells me that the reactants are charge imbalanced by -539.8, and it does not continue the model. I am running GWB (React) Release 4.0.2 on Windows 2000, and have attached the script. I am also using the default thermo dataset.

# React script, saved Tue Jan 06 2004 by kaguilar

data = "C:Program FilesGwbGtdatathermo.dat" verify

surface_data = "C:Program FilesGwbGtdataIonEx.dat"

surface_data = "C:Program FilesGwbGtdataFeOH.dat"

exchange_capacity IonEx = .6 eq/g

time start = 0 days, end = 20 years

temperature = 25

decouple Fe+++

swap Kaolinite for Al+++

swap Quartz for SiO2(aq)

swap Goethite for Fe+++

66.4 kg free H2O

free kg Kaolinite = 173.3

free kg Quartz = 218.6

total mg/kg Mg++ = 94.59

total mg/kg H+ = -.1047

total mg/kg SeO3-- = .3186

total mg/kg Cr+++ = 1.074

total mg/kg Pb++ = .01556

total mg/kg Hg++ = .0004979

total mg/kg Ag+ = .4979

total mg/kg As(OH)4- = .9769

total mg/kg Ba++ = .0001944

total mg/kg O2(aq) = 132.9

total mg/kg Cl- = 28.88

balance on Na+

total mg/kg Na+ = 988.1

total mg/kg K+ = 291.7

total mg/kg SO4-- = 2755

free kg Goethite = 8.3

density = 1.013

react 9.42 kg of H2O

react 4.69 mg of Ag+

react 9.2 mg of As(OH)4-

react .0018 mg of Ba++

react 272 mg of Cl-

react 11.1 mg of Cr+++

react -.986 mg of H+

react .0047 mg of Hg++

react 2747.8 mg of K+

react 891 mg of Mg++

react 9307.9 mg of Na+

react 1251.9 mg of O2(aq)

react .15 mg of Pb++

react 25.95 kg of SO4--

react 3 mg of SeO3--

flush

itmax0 = 1000

itmax = 1000