EFFECT OF THE INTENSITY OF COLLISIONS ON THE ORIENTATIONAL RELAXATIONOF SPHERICAL TOP MOLECULES

Citation
Ap. Blokhin et Mf. Gelin, EFFECT OF THE INTENSITY OF COLLISIONS ON THE ORIENTATIONAL RELAXATIONOF SPHERICAL TOP MOLECULES, Molecular physics, 87(2), 1996, pp. 455-468
Citations number
40
Categorie Soggetti
Physics, Atomic, Molecular & Chemical
Journal title
ISSN journal
00268976
Volume
87
Issue
2
Year of publication
1996
Pages
455 - 468
Database
ISI
SICI code
0026-8976(1996)87:2<455:EOTIOC>2.0.ZU;2-E
Abstract
The influence is investigated of the correlation of angular momenta be fore and after instantaneous impulsive collision on the course of the orientational relaxation of spherical top molecules. To do this, a Mar kovian master equation with a collision kernel by Keilson and Storer i s solved semianalytically for orientational correlation functions of t he first and second rank through the recursive relations. A particular case of the equation contains the J diffusion model and the rotationa l Fokker-Planck equation. The results of these calculations are compar ed with those of molecular dynamics simulations of the rough sphere fl uid and good agreement is found.