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Journal Article | FZJ-2020-02249 |
2020
IOP Publ.
Bristol
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Please use a persistent id in citations: http://hdl.handle.net/2128/25310 doi:10.1088/1361-6455/ab9d01
Abstract: Two-modes (symmetric-asymmetric) reduction of the CO2 vibrational kinetics has been introduced systematically for the purpose of the state-to-state modelling. The two-modes approach is known from the multi-temperature models. Its basic assumption is that vibrational energy of the CO2 molecule which depends on 4 quantum numbers can be approximated by a function of only 2 numbers. Subsequently, vibrational states of CO2 with same quantum numbers of the effective symmetric and of the asymmetric mode can be grouped into one combined state. The paper presents the calculation of the average probabilities of transitions between combined states based on the Schwartz-Slawsky-Herzfeld theory. Closed analytical formulas are derived for vibrational-translational and vibrational-vibrational transitions.
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