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Evolution of populations in a multi-collision environment: Towards a quantum state resolved model of dis-equilibrium
journal contribution
posted on 2023-06-07, 23:58 authored by Richard J Marsh, Anthony J McCafferyWe 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.
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Publication status
- Published
Journal
Journal of Chemical PhysicsISSN
0021-9606External DOI
Issue
2Volume
117Page range
503-506Pages
4.0Department affiliated with
- Chemistry Publications
Notes
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.Full text available
- No
Peer reviewed?
- Yes
Legacy Posted Date
2012-02-06Usage metrics
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