Microscopic origin of the jump diffusion model

Journal Publication ResearchOnline@JCU
Gelin, M.F.;Kosov, D.S.
Daniel Kosov
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.

Journal

Journal of Chemical Physics

Publication Name

Journal of Chemical Physics

Volume

130

ISBN/ISSN

1089-7690

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Pages Count

7

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Publisher

American Institute of Physics

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EISSN

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DOI

10.1063/1.3103263