Microscopic origin of the jump diffusion model

Gelin, M.F., and Kosov, D.S. (2009) Microscopic origin of the jump diffusion model. Journal of Chemical Physics, 130. 134502. pp. 1-7.

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Abstract

The present paper is aimed at studying the microscopic origin of the jump diffusion. Starting from the N-body Liouville equation and making only the assumption that molecular reorientation is overdamped, we derive and solve the new (hereafter generalized diffusion) equation. This is the most general equation which governs orientational relaxation of an equilibrium molecular ensemble in the hindered rotation limit and in the long time limit. The generalized diffusion equation is an extension of the small-angle diffusion equation beyond the impact approximation. We establish the conditions under which the generalized diffusion equation can be identified with the jump diffusion equation, and also discuss the similarities and differences between the two approaches.

Item ID: 26202
Item Type: Article (Research - C1)
ISSN: 1089-7690
Date Deposited: 11 Apr 2013 00:51
FoR Codes: 02 PHYSICAL SCIENCES > 0202 Atomic, Molecular, Nuclear, Particle and Plasma Physics > 020201 Atomic and Molecular Physics @ 50%
03 CHEMICAL SCIENCES > 0307 Theoretical and Computational Chemistry > 030704 Statistical Mechanics in Chemistry @ 50%
SEO Codes: 97 EXPANDING KNOWLEDGE > 970102 Expanding Knowledge in the Physical Sciences @ 100%
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