mmontecinos1 Posted February 28, 2018 Share Posted February 28, 2018 Hello everyone, I am using React program of GWB 9.0 to simulate surface complexation of Copper (Cu++) on Kaolinite. I want to reproduce the modeling results of Lund et al. (2008) (T.J. Lund, C.M. Koretsky, C.J. Landry, M.S. Schaller, S. Das, Surface complexation modeling of Cu(II) adsorption on mixtures of hydrous ferric oxide and kaolinite, Geochem. Trans. 9 (2008) 9). They describe the sorption of copper at a variety of ionic strength using different Double Layer Model (e.g. Monodentate variable charge site, Bidentate variable charge site, among others). I am modeling the sorption for the system with 1E-4 M Cu, 0.01 M NaNO3 and 2 g/L of Kaolinite using a 1-site model (Monodentate) (Fig 2A, blue line in Lund et al. 2008).I created a dataset of surface reaction using file FeOH.dat as a template, but changing basis species, sorbing minerals and surface species. I also modified the thermodynamic database to include minerals and dissolved species of interest. However, when I run React, GWB underestimate the sorption of Cu for pH > 5.5. I thought it could be due to changes in the Ionic Strenght, but it increase only for low pH (<4). I also tried excluding all other species of Cu, different than Cu++ but the results didn’t improve. I would appreciate any recommendation to understand the problem. Best regards, Mauricio Montecinos 2008 - Lund_Fig2a - Monodentate.rea KOH_KGa_Monodentate.dat thermo_editV8.dat Quote Link to comment Share on other sites More sharing options...
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