Manifestation of nonequilibrium initial conditions in molecular rotation: the generalized J-diffusion model - Condensed Matter > Soft Condensed MatterReport as inadecuate




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Abstract: In order to adequately describe molecular rotation far from equilibrium, wehave generalized the J-diffusion model by allowing the rotational relaxationrate to be angular momentum dependent. The calculated nonequilibrium rotationalcorrelation functions CFs are shown to decay much slower than theirequilibrium counterparts, and orientational CFs of hot molecules exhibitcoherent behavior, which persists for several rotational periods. As distinctfrom the results of standard theories, rotational and orientational CFs arefound to dependent strongly on the nonequilibrium preparation of the molecularensemble. We predict the Arrhenius energy dependence of rotational relaxationtimes and violation of the Hubbard relations for orientational relaxationtimes. The standard and generalized J-diffusion models are shown to be almostindistinguishable under equilibrium conditions. Far from equilibrium, theirpredictions may differ dramatically.



Author: M. F. Gelin, D. S. Kosov

Source: https://arxiv.org/







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