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 |
|---|---|
| Publication: | Molecular Physics |
| Publisher: | Taylor and Francis Group |
| 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.ac.in/id/eprint/35502 |
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