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Source of Reaction-Diffusion Coupling in Confined Systems due to Temperature Inhomogeneities

Kumar, Anil AV and Yashonath, S and Ananthakrishna, G (2002) Source of Reaction-Diffusion Coupling in Confined Systems due to Temperature Inhomogeneities. In: Physical Review Letters, 88 (12). 120601/1-4.


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Diffusion is often accompanied by a reaction or sorption which can induce temperature inhomogeneities. Monte Carlo simulations of Lennard-Jones atoms in zeolite NaCaA are reported with a hot zone presumed to be created by a reaction. Our simulations show that localized hot regions can alter both the kinetic and transport properties. Further, enhancement of the diffusion constant is greater for larger barrier height, a surprising result of considerable significance to many chemical and biological processes. We find an unanticipated coupling between reaction and diffusion due to the presence of hot zone in addition to that which normally exists via concentration.

Item Type: Journal Article
Publication: Physical Review Letters
Publisher: American Physical Society
Additional Information: Copyright for this article belongs to American Physical Society (APS).
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: 16 Nov 2004
Last Modified: 19 Sep 2010 04:17
URI: http://eprints.iisc.ac.in/id/eprint/2320

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