Accounting for diffuse layer ions in triple-layer models.
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.
Guerin
Marianne
M
Savannah River Ecology Laboratory, The University of Georgia, Drawer E, Aiken, South Carolina 29802, USA. guerin@srel.edu
Seaman
John
J