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Extending the Diffuse Layer Model of Surface Acidity Behavior: III. Estimating Bound Site Activity Coefficients
Citation:
LOUX, N. T. Extending the Diffuse Layer Model of Surface Acidity Behavior: III. Estimating Bound Site Activity Coefficients. CHEMICAL SPECIATION AND BIOAVAILABILITY. Science and Technology Letters, 21(4):233-244, (2009).
Impact/Purpose:
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Description:
Although detailed thermodynamic analyses of the 2-pK diffuse layer surface complexation model generally specify bound site activity coefficients for the purpose of accounting for those non-ideal excess free energies contributing to bound site electrochemical potentials, in application these terms are ignored based on one or more of the following assumptions: (1) bound site activity coefficients cancel out in the mass action quotients; (2) bound sites display ideal behaviour; and/or (3) these energies are already included in the exponential Boltzmann terms. In this work it is demonstrated that the bound site charging energy terms discussed in the two previous papers in this series have both conceptual and computational analogies to the charging energy contribution to the activity coefficients obtained from the Debye-Huckel Limiting Law.
