Ising Model of Diffusion in Molecular Sieves
- 29 June 1998
- journal article
- research article
- Published by American Physical Society (APS) in Physical Review Letters
- Vol. 80 (26), 5754-5757
- https://doi.org/10.1103/physrevlett.80.5754
Abstract
We have developed a new analytical theory for activated diffusion in zeolites at finite loadings, including the effect of adsorbate-adsorbate interactions. Excellent qualitative agreement is obtained comparing our new theory to kinetic Monte Carlo simulations. We have applied this theory to benzene diffusion in faujasite, to help resolve discrepancies among different experiments. Our results are in qualitative agreement with pulsed field gradient NMR, and in qualitative disagreement with tracer zero-length column data.Keywords
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