The mutual interaction of molecular rotation and translation |
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| Authors: | MW Evans M Ferrario P Grigolini |
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| Institution: | 1. Chemistry Department , U.C.W. , Aberystwyth, SY23 1NE, Wales;2. Istituto di Fisica, Gruppo Nazionale di Struttura della Materia del C.N.R. , Piazza Torricelli 2, 56100, PISA, Italy |
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| Abstract: | The dynamics of molecular rototranslation are treated with an equation of motion with a non-Markovian, stochastic force/torque. It is shown that this Mori/Kubo/Zwanzig representation is equivalent to a multidimensional Markov equation which may be identified with analytical models of the molecular motion. Langevin and Fokker-Planck equations for two such models are derived from the general equations of motion. The analytical results are compared with a computer simulation of the velocity/angular velocity mixed autocorrelation function, C vω(t) = <v(0) . ω(t)> for a triatomic of C 2v symmetry. |
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