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Minimal separation distance in energy transferring collisions. Trajectory calculations

✍ Scribed by V. Bernshtein; I. Oref

Publisher: Elsevier Science
Year: 1995
Tongue: English
Weight: 461 KB
Volume: 233
Category: Article
ISSN: 0009-2614
DOI: 10.1016/0009-2614(94)01406-l

No coin nor oath required. For personal study only.

✦ Synopsis

Classical trajectory calculations of toluene-Ar collisions were performed. The energy transferred in up, down and all collisions is reported as a function of the minimal distance, MD, of approach between the Ar atom and the nearest atom to it in the toluene molecule. There is a distribution of MD at which energy transfer takes place and most energy transfer occurs in the range 0.29-0.35 nm. Increasing the temperature shifts the average to lower values. The collision duration and the MD are independent. The average MD is 0.308 nm at 300 K and 0.299 nm at 1500 K. Supercollisions were found but no correlation could be made between their duration and their MD.

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