Kemod: A Mixed Chemical Kinetic And Equilibrium Model of Aqueous and Solid Phase Geochemical Reactions

Authors

• G. T. Yeh, Pacific Northwest National Laboratory
• G. A. Iskra, Pacific Northwest National Laboratory
• J. E. Szecsody, Pacific Northwest National Laboratory
• John M. Zachara, Pacific Northwest National LaboratoryFollow
• G. P. Streile, Pacific Northwest National Laboratory

Date of this Version

1995

Citation

Prepared by Pennsylvania State University for Pacific Northwest Laboratory, (1995)

Abstract

This report presents the development of a mixed chemical Kinetic and Equilibrium MODel (KEMOD), in which every chemical species can be treated either as a equilibrium-controlled or as a kinetically controlled reaction. The reaction processes include aqueous complexation, adsorption/ desorption, ion exchange, precipitation/dissolution, oxidation/reduction, and acid/base reactions. Further development and modification of KEMOD can be made in: (1) inclusion of species switching solution algorithms, (2) incorporation of the effect of temperature and pressure on equilibrium and rate constants, and (3) extension to high ionic strength.