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Reconciling experimental and theoretical vibrational deactivation in low-energy O + N-2 collisions
Hong QZ(洪启臻)1,2; Bartolomei, Massimiliano3; Esposito, Fabrizio4; Coletti, Cecilia5; Sun QH(孙泉华)1,2; Pirani, Fernando6
Source PublicationPHYSICAL CHEMISTRY CHEMICAL PHYSICS
2021-06-02
Volume23Issue:29Pages:5
ISSN1463-9076
Abstract

Molecular dynamics calculations of inelastic collisions of atomic oxygen with molecular nitrogen are known to show orders of magnitude discrepancies with experimental results in the range from room temperature to many thousands of degrees Kelvin. In this work, we have achieved an unprecedented quantitative agreement with experiments even at low temperature, by including a non-adiabatic treatment involving vibronic states on newly developed potential energy surfaces. This result paves the way for the calculation of accurate and detailed databases of vibrational energy exchange rates for this collisional system. This is bound to have an impact on air plasma simulations under a wide range of conditions and on the development of Very Low Earth Orbit (VLEO) satellites, operating in the low thermosphere, objects of great technological interest due to their potential at a competitive cost.

Keywordvibronic transition
DOI10.1039/d1cp01976g
Indexed BySCI
Language英语
WOS IDWOS:000664224800001
WOS Research AreaChemistry ; Physics
WOS SubjectChemistry, Physical ; Physics, Atomic, Molecular & Chemical
Funding ProjectStrategic Priority Research Program of Chinese Academy of Sciences[XDA17030100] ; National Natural Science Foundation of China[11372325] ; National Natural Science Foundation of China[91116013] ; Spanish grant[FIS2017-84391-C2-2-P]
Funding OrganizationStrategic Priority Research Program of Chinese Academy of Sciences ; National Natural Science Foundation of China ; Spanish grant
Department跨流域气体动力学
Classification二类/Q1
Ranking1
Citation statistics
Cited Times:3[WOS]   [WOS Record]     [Related Records in WOS]
Document Type期刊论文
Identifierhttp://dspace.imech.ac.cn/handle/311007/86962
Collection高温气体动力学国家重点实验室
Corresponding AuthorColetti, Cecilia
Affiliation1.Chinese Acad Sci, Inst Mech, State Key Lab High Temp Gas Dynam, Beijing 100190, Peoples R China
2.Univ Chinese Acad Sci, Sch Engn Sci, Beijing 100049, Peoples R China
3.CSIC, Inst Fis Fundamental, C Serrano 123, Madrid, Spain
4.CNR, Ist Sci & Tecnol Plasmi, Sede Secondaria Bari, Via Amendola 122-D, I-70126 Bari, Italy
5.Univ G dAnnunzio, Dipartimento Farm, Via Vestini, I-66100 Chieti, Italy
6.Univ Perugia, Dipartimento Chim Biol & Biotecnol, Via Elce di Sotto 8, I-06123 Perugia, Italy
Recommended Citation
GB/T 7714
Hong QZ,Bartolomei, Massimiliano,Esposito, Fabrizio,et al. Reconciling experimental and theoretical vibrational deactivation in low-energy O + N-2 collisions[J]. PHYSICAL CHEMISTRY CHEMICAL PHYSICS,2021,23(29):5.
APA Hong QZ,Bartolomei, Massimiliano,Esposito, Fabrizio,Coletti, Cecilia,Sun QH,&Pirani, Fernando.(2021).Reconciling experimental and theoretical vibrational deactivation in low-energy O + N-2 collisions.PHYSICAL CHEMISTRY CHEMICAL PHYSICS,23(29),5.
MLA Hong QZ,et al."Reconciling experimental and theoretical vibrational deactivation in low-energy O + N-2 collisions".PHYSICAL CHEMISTRY CHEMICAL PHYSICS 23.29(2021):5.
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