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Diffusion in zeolites: Anomalous dependence on sorbate diameter

Yashonath, Subramanian and Santikary, Prakriteswar (1994) Diffusion in zeolites: Anomalous dependence on sorbate diameter. In: The Journal of Chemical Physics, 100 (5). pp. 4013-4016.

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Molecular dynamics calculations on sorbate atoms of varying diameters in zeolites A and Y are reported. Rates of cage-to-cage diffusions, rate of cage visits, and diffusion coefficients show unexpected behavior. A generalized parameter has been defined that exhibit a peak in diffusion coefficient around 0.84 for both the zeolites investigated.

Item Type: Journal Article
Publication: The Journal of Chemical Physics
Publisher: American Institute of Physics
Additional Information: Copyright of this article belongs to American Institute of Physics.
Department/Centre: Division of Chemical Sciences > Solid State & Structural Chemistry Unit
Date Deposited: 19 Oct 2006
Last Modified: 19 Sep 2010 04:31
URI: http://eprints.iisc.ac.in/id/eprint/8316

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