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

Bagchi, Biman ; Srinivas, Goundla ; Miyazaki, Kunimasa (2001) The Enskog theory for classical vibrational energy relaxation in fluids with continuous potentials Journal of Chemical Physics, 119 (9). pp. 4195-4198. ISSN 0021-9606

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Official URL: http://jcp.aip.org/jcpsa6/v115/i9/p4195_s1

Related URL: http://dx.doi.org/10.1063/1.1392360

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, ζE(ω). This ζE(ω) 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. ζE(ω) shows an interesting structure with a hump at low frequency, the signature of which has already been seen in many simulation studies.

Item Type:Article
Source:Copyright of this article belongs to American Institute of Physics.
ID Code:4206
Deposited On:18 Oct 2010 09:11
Last Modified:16 May 2016 14:53

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