RES³T - Rossendorf Expert System for Surface and Sorption Thermodynamics

Paper Details


Bibliographic Data:


Code: SF06a
Paper Type: Article
Author(s): Sverjensky DA, Fukushi K
Title: Anion Adsorption on Oxide Surfaces:  Inclusion of the Water Dipole in Modeling the Electrostatics of Ligand Exchange
Journal: Environmental Science & Technology
Volume: 40   Year: 2006   Pages: 263-271
ISSN-Print: 0013-936X
Internal Storage: V2592
DOI: 10.1021/es051521v
Abstract:

Adsorption of aqueous anions, such as sulfate, arsenite, and oxalate, to oxide surfaces is important in the retardation of toxic species in the environment, but predicting the surface speciation as a function of environmental parameters is a major challenge. Recent laboratory spectroscopic studies defining surface speciation must be integrated with surface complexation models. However, the latter have neglected the electrostatic work of desorption of water dipoles in treating anion adsorption by ligand exchange. Taking this effect into account permits close quantitative description of anion adsorption and the prediction of anion surface speciation as a function of pH, ionic strength, and surface coverage in agreement with spectroscopic results.

Comment: SCM data, FTIR

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