Yashonath, S. ; Santikary, Prakriteswar (1992) Dynamics of adsorbates in micropores of zeolites and breakdown of Arrhenius behavior Physical Review B: Condensed Matter and Materials Physics, 45 (17). pp. 10095-10098. ISSN 1098-0121
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Official URL: http://prb.aps.org/abstract/PRB/v45/i17/p10095_1
Related URL: http://dx.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.
| Item Type: | Article |
|---|---|
| Source: | Copyright of this article belongs to The American Physical Society. |
| ID Code: | 55840 |
| Deposited On: | 19 Aug 2011 05:39 |
| Last Modified: | 19 Aug 2011 05:39 |
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