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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
发表期刊PHYSICAL CHEMISTRY CHEMICAL PHYSICS
2021-06-02
卷号23期号:29页码:5
ISSN1463-9076
摘要

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.

关键词vibronic transition
DOI10.1039/d1cp01976g
收录类别SCI ; EI
语种英语
WOS记录号WOS:000664224800001
WOS研究方向Chemistry ; Physics
WOS类目Chemistry, Physical ; Physics, Atomic, Molecular & Chemical
资助项目Strategic 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]
项目资助者Strategic Priority Research Program of Chinese Academy of Sciences ; National Natural Science Foundation of China ; Spanish grant
课题组名称跨流域气体动力学
论文分区二类/Q1
力学所作者排名1
引用统计
被引频次:16[WOS]   [WOS记录]     [WOS相关记录]
文献类型期刊论文
条目标识符http://dspace.imech.ac.cn/handle/311007/86962
专题高温气体动力学国家重点实验室
通讯作者Coletti, Cecilia
作者单位1.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
推荐引用方式
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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