Chandra Saravanan, Fabien Jousse and Scott M. Auerbach,
``Ising Model of Diffusion in Molecular Sieves,''
Phys. Rev. Lett. 80, 5754-5757 (1998).
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.
Prof SM Auerbach
29 August 2000