Marsh, Richard J and McCaffery, Anthony J (2002) Evolution of populations in a multi-collision environment: Towards a quantum state resolved model of dis-equilibrium. Journal of Chemical Physics, 117 (2). pp. 503-506. ISSN 0021-9606

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Abstract

We exploit the accuracy and computational speed of the angular momentum model of inelastic transfer to follow changes in quantum state populations as a gas ensemble evolves from an initial state of dis-equilibrium. Results on two prototype systems in specific initial states are presented and the manner by which these approach equilibrium is discussed. There are wide differences in the rates at which different internal modes equilibrate and although Boltzmann-type distributions are found within a mode, individual modes may not be in equilibrium with one another. These findings have relevance, e.g., to upper atmosphere modeling where the rapid establishment of local thermodynamic equilibrium is often assumed.

Item Type:	Article
Additional Information:	AJM directed work and is corresponding author. First study of changes in quantum state populations in gas ensembles (< 10,000 molecules) over many (>1000) collisions, without loss of quantum information. Allows modelling without assumption of local thermodynamic equilibrium and enables quantitative study of evolution of disequilibrium in gases.
Schools and Departments:	School of Life Sciences > Chemistry
Depositing User:	Anthony McCaffery
Date Deposited:	06 Feb 2012 19:46
Last Modified:	23 Mar 2012 15:27
URI:	http://sro.sussex.ac.uk/id/eprint/22123

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