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.
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|
|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|
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