SREL Reprint #2605

Accounting for diffuse layer ions in triple-layer models

Marianne Guerin and John Seaman

The University of Georgia, Savannah River Ecology Laboratory, Drawer E, Aiken, South Carolina 29802

Abstract: The triple-layer model is one of the most widely used surface complexation models for adsorption on mineral surfaces. In current implementations, the accounting of ions in the diffuse layer may be neglected, resulting in a charge imbalance in the modeled solution as well as errors in mass balance, particularly in low ionic strength solutions when mineral-specific surface area is large. This paper introduces an internally consistent scheme for modeling diffuse layer ions in the triple-layer model. Model calculations illustrate the difference between the proposed and previous implementations using an idealized example. The guarantee of charge balance on both sides of the interface assures that pH is accurately modeled. This may be important in reactive transport simulations, such as modeling adsorption in low ionic strength variable charge soil solutions.

Keywords: surface complexation modeling; triple-layer model; diffuse layer; charge balance; charge distribution

SREL Reprint #2605

Guerin, M. and J. Seaman. 2002. Accounting for diffuse layer ions in triple-layer models. Journal of Colloid and Interface Science 250:492-495.

This information was provided by the University of Georgia's Savannah River Ecology Laboratory (srel.uga.edu).