How much does thermal nonequilibrium influence the overall atomic recombination during de-excitation?

Sangdi Gu, Jiaao Hao, Chih Yung Wen, Qizhen Hong, Qiu Wang

Research output: Journal article publicationJournal articleAcademic researchpeer-review

Abstract

A parametric study is carried out via state-to-state constant-volume heat bath simulations for binary mixtures of O2/O and N2/N to identify nonequilibrium de-excitation conditions where the overall atomic recombination is influenced by thermal nonequilibrium and where it is not. The most important parameter is found to be the translational temperature at which the de-excitation occurs. A low translational temperature of around 500 K is found to prevent the overall atomic recombination process from being influenced by the thermal nonequilibrium, due to the small value of KEQ making the dissociation reaction less important. At a higher translational temperature of 2000 K, the overall atomic recombination process is influenced by the thermal nonequilibrium to an extent that is comparable to that seen in the corresponding excitation conditions, due to the nonequilibrium-accelerated dissociation rate. The current results have important implications in reduced-order modelling and experimental methods.

Original languageEnglish
Article number112220
JournalChemical Physics
Volume580
DOIs
Publication statusPublished - 1 Apr 2024

Keywords

  • Atomic recombination
  • High-enthalpy flows
  • Thermochemical nonequilibrium

ASJC Scopus subject areas

  • General Physics and Astronomy
  • Physical and Theoretical Chemistry

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