Mechanisms for supercollisions

Clary, D. C., Gilbert, R. G., Bernshtein, V. and Oref, I. (1995) Mechanisms for supercollisions. Faraday Discussions, 102 102: 423-433. doi:10.1039/fd9950200423

Author Clary, D. C.
Gilbert, R. G.
Bernshtein, V.
Oref, I.
Title Mechanisms for supercollisions
Journal name Faraday Discussions   Check publisher's open access policy
ISSN 0301-7249
Publication date 1995
Sub-type Article (original research)
DOI 10.1039/fd9950200423
Open Access Status Not Open Access
Volume 102
Issue 102
Start page 423
End page 433
Total pages 11
Place of publication London, United Kingdom
Publisher Royal Society of Chemistry
Language eng
Abstract The mechanism of collisional energy transfer in collisions between a highly excited polyatomic and a monatomic bath gas is investigated for benzene-rare-gas systems by carrying out both vibrational close-coupling, infinite-order sudden quantum-scattering computations and classical trajectory calculations with a high degree of initial internal excitation; the quantum calculations involved up to two vibrational modes. It is found in the quantum-scattering calculations that if one of the vibrational modes is of low frequency (and particularly if it is an out-of-plane motion), then the cross-section for transferring large amounts of energy is particularly large, and involves multi-quantum transitions. Although the quantum simulations have far fewer modes (and hence involve a far lower density of states) than in an actual system, this suggests that low-frequency/out-of-plane modes are prominent in transferring significant amounts of energy (and perhaps in 'supercollisions'), since a microcanonical ensemble in an actual system at high internal energy will contain a large proportion of states with high excitation in low-frequency modes. Both the quantum and trajectory results are consistent with a supercollision mechanism which is a head-on collision between a bath-gas atom and a rapidly moving substrate atom involved in a large-amplitude motion such as occurs with a highly excited low-frequency out-of-plane vibration.
Q-Index Code C1
Q-Index Status Provisional Code
Institutional Status Non-UQ

Document type: Journal Article
Sub-type: Article (original research)
Collection: Centre for Nutrition and Food Sciences Publications
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Created: Mon, 07 Mar 2011, 15:39:21 EST