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Influence of temperature inhomogeneity on product profile of reactions occurring within zeolites

Kumar, Anil AV and Yashonath, S and Ananthakrishna, G (2003) Influence of temperature inhomogeneity on product profile of reactions occurring within zeolites. In: Journal of Chemical Sciences, 115 (5-6). pp. 543-552.

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Abstract

In zeolites, diffusion is often accompanied by a reaction or sorption which in turn can induce temperature inhomogeneities. Monte Carlo simulations of Lennard–Jones atoms in zeolite NaCaA are reported for the presence of a hot zone presumed to be created by a reaction or chemi- or physi-sorption site. These simulations show that the presence of localized hot regions can alter both kinetic and transport properties such as diffusion. Further, we show that enhancement of diffusion constant is greater for systems with larger barrier height, a surprising result that may be of considerable significance in many chemical and biological processes. We find an unanticipated coupling between reaction and diffusion due to the presence of a hot zone in addition to that which normally exists via concentration. Implications of this coupling for the product profile of a reaction are discussed. We also propose a mechanism by which mobility of ions or diffusion of molecular species within biomembranes may take place.

Item Type: Journal Article
Additional Information: Copyright of this article belongs to Indian Academy of Science.
Department/Centre: Division of Chemical Sciences > Materials Research Centre
Division of Chemical Sciences > Solid State & Structural Chemistry Unit
Division of Physical & Mathematical Sciences > Physics
Date Deposited: 07 Apr 2006
Last Modified: 01 Mar 2012 10:43
URI: http://eprints.iisc.ernet.in/id/eprint/6225

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