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Influence of non-geometrical factors on intracrystalline diffusion -- Role of sorbate-zeolite interactions

Yashonath, Subramanian and Santikary, P (1993) Influence of non-geometrical factors on intracrystalline diffusion -- Role of sorbate-zeolite interactions. In: Molecular Physics, 78 (1). pp. 1-6.

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Abstract

Molecular dynamics simulations on Xe in NaY and Ar in NaCaA zeolite are reported. Rates of cage-to-cage crossovers in the two zeolites exhibit trends which are contrary to that expected from geometrical considerations. The results suggest the important role of the sorbate-zeolite interactions in determining the molecular sieve properties of zeolites for small sized sorbates. The results are explained in terms of the barrier height for cage-to-cage crossover in the two zeolites.

Item Type: Editorials/Short Communications
Additional Information: Copyright of this article belongs to Taylor and Francis Group.
Department/Centre: Division of Chemical Sciences > Solid State & Structural Chemistry Unit
Date Deposited: 10 Feb 2011 08:18
Last Modified: 10 Feb 2011 08:18
URI: http://eprints.iisc.ernet.in/id/eprint/35502

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