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
Publication:	Physical Review B: Condensed Matter and Materials Physics
Publisher:	American Physical Society
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.ac.in/id/eprint/13536

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