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Collision integrals of electronically excited atoms in air plasmas: II. N-O interactions

文献类型：期刊论文

作者Zhao WS(赵文盛)1,2; Hong QZ(洪启臻)1; Yang C(杨超)3; Sun QH(孙泉华)1,2; Hu Y(胡远)1,2
刊名PLASMA SOURCES SCIENCE & TECHNOLOGY
出版日期2025-02-01
卷号34期号:2
关键词collision integrals potential energy curves air plasmas N-O interactions electronic excitation
ISSN号0963-0252
DOI10.1088/1361-6595/adb787
英文摘要This paper is a continuation of our work on constructing the high-accuracy database of the collision integrals (CIs) and transport properties for weakly ionized air plasmas involving electronically excited atoms (Zhao et al 2023 Plasma Sources Sci. Technol. 32 125002). In this work, CIs for N(4S,2D,2P)-O(3P) and N(4S)-O(1D) interactions over a wide temperature range are calculated based on the high-quality potential energy curves (PECs). The high-level ab initio calculations are first carried out to obtain the potential energy data covering a broad energy range, which are then fitted to cubic spline interpolation functions to derive the PECs. The accuracy of these PECs is confirmed by their excellent agreement with the available experimental data. Based on the present PECs, the multi-channel quantum mechanical approach in the diabatic representation is adopted to explore nonadiabatic effects on CIs resulting from the avoided crossings between the excited states. The results reveal that ignoring the nonadiabatic effects leads to an underestimation of the calculated CIs, especially at high temperatures. Therefore, a semiclassical-based correction model that effectively considers the multi-channel effects is employed for fast and accurate CI calculations in the temperature range of 500-50 000 K. Based on the present high-accuracy CI data, two most successful phenomenological collision models suitable for the widely used particle simulation methods are re-parameterized. Furthermore, we calculate rate coefficients of electronic quenching and excitation based on our high-quality PECs using the semiclassical method, demonstrating an improvement on prediction accuracy compared to previous calculations when benchmarked against experimental data.
分类号一类
WOS研究方向Physics, Fluids & Plasmas ; Physics
语种英语
WOS记录号WOS:001434668100001
资助机构The authors would like to thank Prof. Igor Adamovich and Dr Ryan Brady for the helpful discussions. This work was supported by the Strategic Priority Research Program of the Chinese Academy of Sciences (Grant No. XDB0620201).
其他责任者胡远
源URL[http://dspace.imech.ac.cn/handle/311007/101452]  
专题力学研究所_高温气体动力学国家重点实验室
宽域飞行工程科学与应用中心
作者单位1.Institute of Mechanics, CAS;
2.University of Chinese Academy of Sciences, CAS;
3.Chinese Academy of Sciences Inst Mech
推荐引用方式
GB/T 7714		 Zhao WS,Hong QZ,Yang C,et al. Collision integrals of electronically excited atoms in air plasmas: II. N-O interactions[J]. PLASMA SOURCES SCIENCE & TECHNOLOGY,2025,34(2).
APA 赵文盛,洪启臻,杨超,孙泉华,&胡远.(2025).Collision integrals of electronically excited atoms in air plasmas: II. N-O interactions.PLASMA SOURCES SCIENCE & TECHNOLOGY,34(2).
MLA 赵文盛,et al."Collision integrals of electronically excited atoms in air plasmas: II. N-O interactions".PLASMA SOURCES SCIENCE & TECHNOLOGY 34.2(2025).

入库方式： OAI收割

来源：力学研究所

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