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 |
ISSN | 1463-9076 |
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 |
DOI | 10.1039/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 | |
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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