The Enskog theory for classical vibrational energy relaxation in fluids with continuous potentials

Bagchi, Biman and Srinivas, Goundla and Miyazaki, Kunimasa (2001) The Enskog theory for classical vibrational energy relaxation in fluids with continuous potentials. In: Journal of Chemical Physics, 115 (9). pp. 4195-4198.

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Abstract

The recently developed Enskog theory for binary friction for fluids with continuous potentials, such as the Lennard-Jones, has been extended to calculate the frequency dependence of this friction, zeta E(omega). This zeta E(omega) is then applied to study vibrational energy relaxation of low-frequency modes via the Landau-Teller expression. The agreement with simulation results is found to be satisfactory. In the present approach we provide an exact prescription for the binary friction and thus remove a lacuna in this area. Zeta E(omega) shows an interesting structure with a hump at low frequency, the signature of which has already been seen in many simulation studies.

Item Type:	Journal Article
Publication:	Journal of Chemical Physics
Publisher:	American Institute of Physics
Additional Information:	Copyright for this article belongs to American Institute of Physics (AIP).
Department/Centre:	Division of Chemical Sciences > Solid State & Structural Chemistry Unit
Date Deposited:	13 Dec 2004
Last Modified:	19 Sep 2010 04:17
URI:	http://eprints.iisc.ac.in/id/eprint/2434

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