Dynamics of adsorbates in micropores of zeolites and breakdown of Arrhenius behavior
- 1 May 1992
- journal article
- research article
- Published by American Physical Society (APS) in Physical Review B
- Vol. 45 (17) , 10095-10098
- https://doi.org/10.1103/physrevb.45.10095
Abstract
A molecular-dynamics calculation of diffusion of xenon in the micropores of zeolite Y shows several unusual features. Xenon atoms migrating from one cage to another through a twelve-membered ring exhibit a temperature-dependent barrier height and a breakdown of Arrhenius behavior. Barrierless trajectories for cage-to-cage migration have been found. The mechanism of migration as a function of temperature is discussed. The activation-energy spectra show the existence of both positive and negative barrier heights.Keywords
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