The time-dependent rotational and vibrational temperatures were measured to study the shock-heated thermal nonequilibrium behaviors of CO with Ar, He, and H2 as collision partners. Three interference-free transition lines in the fundamental vibrational band of CO were applied to the fast, in situ, and state-specific measurements. Vibrational relaxation times of CO were summarized over a temperature range of 1110–2820 K behind reflected shocks. The measured rotational temperature instantaneously reached an equilibrium state behind shock waves. The measured vibrational temperature experienced a relaxation process before reaching the equilibrium state. The measured vibrational temperature time histories were compared with predictions based on the Landau–Teller model and the state-to-state approach. The state-to-state approach treats the vibrational energy levels of CO as pseudo-species and accurately describes the detailed thermal nonequilibrium processes behind shock waves. The datasets of state-specific inelastic rate coefficients of CO–Ar, CO–He, CO–CO, and CO–H2 collisions were calculated in this study using the mixed quantum-classical method and the semiclassical forced harmonic oscillator model. The predictions based on the state-to-state approach agreed well with the measured data and nonequilibrium (non-Boltzmann) vibrational distributions were found in the post-shock regions, while the Landau–Teller model predicted slower vibrational temperature time histories than the measured data. Modifications were applied to the Millikan–White vibrational relaxation data of the CO–Ar and CO–H2 systems to improve the performance of the Landau–Teller model. In addition, the thermal nonequilibrium processes behind incident shocks, the acceleration effects of H2O on the relaxation process of CO, and the characterization of vibrational temperature were highlighted.
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21 December 2023
Research Article|
December 18 2023
Experimental and numerical studies on the thermal nonequilibrium behaviors of CO with Ar, He, and H2
Dong He
;
Dong He
(Conceptualization, Data curation, Formal analysis, Investigation, Methodology, Writing – original draft)
1
Deep Space Exploration Laboratory, Department of Modern Mechanics, University of Science and Technology of China
, Hefei 230026, People’s Republic of China
2
State Key Laboratory of High Temperature Gas Dynamics, Institute of Mechanics, Chinese Academy of Sciences
, Beijing 100190, People’s Republic of China
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Qizhen Hong
;
Qizhen Hong
(Conceptualization, Data curation, Formal analysis, Investigation, Methodology, Writing – original draft)
2
State Key Laboratory of High Temperature Gas Dynamics, Institute of Mechanics, Chinese Academy of Sciences
, Beijing 100190, People’s Republic of China
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Fei Li
;
Fei Li
(Project administration, Resources, Supervision, Writing – review & editing)
2
State Key Laboratory of High Temperature Gas Dynamics, Institute of Mechanics, Chinese Academy of Sciences
, Beijing 100190, People’s Republic of China
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Quanhua Sun
;
Quanhua Sun
a)
(Formal analysis, Supervision, Validation, Writing – review & editing)
2
State Key Laboratory of High Temperature Gas Dynamics, Institute of Mechanics, Chinese Academy of Sciences
, Beijing 100190, People’s Republic of China
3
School of Engineering Science, University of Chinese Academy of Sciences
, Beijing 100049, People’s Republic of China
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Ting Si
;
Ting Si
a)
(Funding acquisition, Project administration, Supervision, Validation, Writing – review & editing)
1
Deep Space Exploration Laboratory, Department of Modern Mechanics, University of Science and Technology of China
, Hefei 230026, People’s Republic of China
2
State Key Laboratory of High Temperature Gas Dynamics, Institute of Mechanics, Chinese Academy of Sciences
, Beijing 100190, People’s Republic of China
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Xisheng Luo
Xisheng Luo
(Funding acquisition, Project administration, Supervision, Visualization, Writing – review & editing)
1
Deep Space Exploration Laboratory, Department of Modern Mechanics, University of Science and Technology of China
, Hefei 230026, People’s Republic of China
2
State Key Laboratory of High Temperature Gas Dynamics, Institute of Mechanics, Chinese Academy of Sciences
, Beijing 100190, People’s Republic of China
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J. Chem. Phys. 159, 234302 (2023)
Article history
Received:
September 11 2023
Accepted:
November 24 2023
Citation
Dong He, Qizhen Hong, Fei Li, Quanhua Sun, Ting Si, Xisheng Luo; Experimental and numerical studies on the thermal nonequilibrium behaviors of CO with Ar, He, and H2. J. Chem. Phys. 21 December 2023; 159 (23): 234302. https://doi.org/10.1063/5.0176176
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