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Microscopic origin of the jump diffusion model

par Gelin, Maxim F.;Kosov, Daniil
Référence The Journal of Chemical Physics, 130, 134502
Publication Publié, 2009

Article révisé par les pairs

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Résumé :

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. © 2009 American Institute of Physics.