Monte Carlo trajectory study of Ar+H2 collisions: Thermally averaged vibrational transition rates at 4500 °K
- 1 December 1979
- journal article
- Published by AIP Publishing in The Journal of Chemical Physics
- Vol. 71 (11) , 4304-4320
- https://doi.org/10.1063/1.438237
Abstract
Quasiclassical trajectory calculations of vibrational transition rates in Ar+H2 collisions have been carried out. A realistic potential energy surface has been used, and the rates are averaged over rotational–translation distributions at 4500 °K. The same transition rates are calculated by eight distorted-wave-based theories which have been used by others for various applications. The present calculations provide a critical test of these theories, especially for high vibrational quantum numbers where data has been scarce. We also discuss dissociation rates, the rotational component of vibrational energy transfer, and a surprisal analysis of the vibrational transition rates.Keywords
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