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Low temperature intracage and intercage migration rates for guest atoms of varying sizes in zeolite NaY

Ghorai, PK and Yashonath, Subramanian (2002) Low temperature intracage and intercage migration rates for guest atoms of varying sizes in zeolite NaY. In: Journal of Sound and vibration, 359 (5-6). pp. 507-515.

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Abstract

A recently proposed method has been employed for the calculation of the rate of intracage and intercage migration of Lennard-Jones (LJ) particles in NaY zeolite at low temperatures and over the linear and anomalous regimes in the Dvs. 1/sigma(2) plot by varying sigma, the LJ diameter. It is seen that for particles in the linear regime over the temperature range 10-100 K, the intra and intercage rates vary over 26-32 orders of magnitude. In comparison, for particles in the anomalous regime, the variation is just over 14 orders of magnitude. Activation energies obtained are consistent with earlier reports. The rate determining step is always the intracage site-to-site hop and not intercage hop as one would have expected. (C) 2002 Elsevier Science B.V. All rights reserved.

Item Type: Journal Article
Additional Information: Copyright of this article belongs to Elsevier Science.
Department/Centre: Division of Chemical Sciences > Solid State & Structural Chemistry Unit
Date Deposited: 04 Sep 2009 04:53
Last Modified: 19 Sep 2010 05:01
URI: http://eprints.iisc.ernet.in/id/eprint/18349

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