Modeling Orientational Randomization in Zeolites

with Kinetic Monte Carlo

Scott M. Auerbach

Departments of Chemistry and Chemical Engineering,
University of Massachusetts, Amherst, MA 01003

Horia I. Metiu

Departments of Chemistry and Physics,
University of California, Santa Barbara, CA 93106

Published in J. Chem. Phys. 106, 2893 (1997).

Introduction

NMR Orientational Correlation Functions

Theoretical Methodology

Results and Discussion

Concluding Remarks

Acknowledgments