Transport cross sections and collision integrals for O(3P)-H(2S), O(1D)-H(2S), O(1S)-H(2S) interactions

被引:0
作者
Wang, Xiuting [1 ]
Ding, Zi [1 ,2 ]
Liu, Linhua [1 ,2 ]
Yang, Jia-Yue [1 ,2 ]
机构
[1] Shandong Univ, Inst Frontier & Interdisciplinary Sci, Opt & Thermal Radiat Res Ctr, Qingdao 266237, Peoples R China
[2] Shandong Univ, Sch Energy & Power Engn, Jinan 250061, Peoples R China
基金
中国国家自然科学基金;
关键词
POTENTIAL-ENERGY CURVES; LYING ELECTRONIC STATES; AB-INITIO; HYDROGEN; OH; OXYGEN; PHOTODISSOCIATION; COEFFICIENTS; SCATTERING; ESCAPE;
D O I
10.1063/5.0266248
中图分类号
O3 [力学];
学科分类号
08 ; 0801 ;
摘要
Transport properties for collisions between oxygen atoms and hydrogen atoms are important for studying planetary atmospheres and various plasma applications, and transport coefficients can be expressed as a linear combination of collision integrals. In this study, we use high-level ab initio methods to calculate potential energy curves (PECs) of OH over internuclear distances ranging from 0.2 to 9.0 & Aring;, with a focus on the short-range region. The PECs are then used to calculate transport cross sections and collision integrals for O(P-3)-H(S-2), O(D-1)-H(S-2), and O(S-1)-H(S-2) interactions using both classical and semiclassical methods. Transport cross sections are calculated for collision energies ranging from 10(-5) to 10 Hartree. Collision integrals are provided at 500 to 50 000 K. The results support the calculation of transport coefficients in a third-order approximation. The collision data for O(D-1)-H(S-2) and O(S-1)-H(S-2) interactions are provided for the first time. The transport cross sections and collision integrals provided are helpful for modeling oxygen-hydrogen plasmas and atmospheric phenomena.
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页数:15
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