Monte Carlo trajectory study of Ar+H2collisions: Thermally averaged vibrational transition rates at 4500thinsp;deg;K

摘要

Quasiclassical trajectory calculations of vibrational transition rates in Ar+H2collisions have been carried out. A realistic potential energy surface has been used, and the rates are averaged over rotationalndash;translation distributions at 4500thinsp;deg;K. The same transition rates are calculated by eight distortedhyphen;wavehyphen;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.