Calculation of collisional-energy-transfer rates in highly excited molecules

Lim, K.F. and Gilbert, R.G. (1990) Calculation of collisional-energy-transfer rates in highly excited molecules. Journal of Physical Chemistry, 94 1: 72-77. doi:10.1021/j100364a011


Author Lim, K.F.
Gilbert, R.G.
Title Calculation of collisional-energy-transfer rates in highly excited molecules
Journal name Journal of Physical Chemistry   Check publisher's open access policy
ISSN 0022-3654
1541-5740
Publication date 1990-01
Sub-type Article (original research)
DOI 10.1021/j100364a011
Volume 94
Issue 1
Start page 72
End page 77
Total pages 6
Place of publication Washington, DC, United States
Publisher American Chemical Society
Language eng
Abstract Expressions are deduced to enable the mean energy transferred in collisions between a highly excited molecule and a bath gas to be obtained economically from trajectory calculations. To relate experimental and theoretical results, it is shown that the quantity of interest is the distribution function for the rate of energy transfer (or its moments), rather than that for the energy transferred per collision. The latter is related to the rate by a collision number Z (or collision frequency ω) whose definition is arbitrary. This enables theory and experiment to be compared without the artifactual removal of the "elastic peak" in the energy-transfer distribution which has caused problems in the past.
Q-Index Code C1
Q-Index Status Provisional Code
Institutional Status Non-UQ

Document type: Journal Article
Sub-type: Article (original research)
Collections: School of Chemistry and Molecular Biosciences
Centre for Nutrition and Food Sciences Publications
 
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Created: Mon, 07 Mar 2011, 15:51:17 EST