PMID: 11909438Mar 23, 2002Paper

Source of reaction-diffusion coupling in confined systems due to temperature inhomogeneities

Physical Review Letters
A V Anil KumarG Ananthakrishna

Abstract

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.

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Citations

Jul 10, 2021·The Journal of Chemical Physics·Shubhadeep NagYashonath Subramanian
Feb 24, 2006·The Journal of Physical Chemistry. B·A V Anil KumarG Ananthakrishna

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