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Dynamics of adsorbates in micropores of zeolites and breakdown of Arrhenius behavior

Yashonath, S and Santikary, Prakriteswar (1992) Dynamics of adsorbates in micropores of zeolites and breakdown of Arrhenius behavior. In: Physical Review B: Condensed Matter and Materials Physics, 45 (17). pp. 10095-10098.

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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.

Item Type: Journal Article
Additional Information: Copyright of this article belongs to American Physical Society
Keywords: Dynamics of adsorbates;micropores of zeolites;breakdown of Arrhenius
Department/Centre: Division of Chemical Sciences > Solid State & Structural Chemistry Unit
Date Deposited: 02 Apr 2008
Last Modified: 19 Sep 2010 04:43
URI: http://eprints.iisc.ernet.in/id/eprint/13536

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