Rate constants for the H+ + H2 reaction from 5 K to 3000 K with a statistical quantum method

被引:9
|
作者
Gonzalez-Lezana, Tomas [1 ]
Hily-Blant, Pierre [2 ]
Faure, Alexandre [2 ]
机构
[1] IFF CSIC, Inst Fis Fundamental, Serrano 123, Madrid 28006, Spain
[2] Univ Grenoble Alpes, CNRS, IPAG, F-38000 Grenoble, France
来源
JOURNAL OF CHEMICAL PHYSICS | 2021年 / 154卷 / 05期
关键词
32;
D O I
10.1063/5.0039629
中图分类号
O64 [物理化学(理论化学)、化学物理学];
学科分类号
070304 ; 081704 ;
摘要
An exhaustive investigation of state-to-state H+ + H-2(v, j) -> H+ + H-2(v ', j ') transitions for rovibrational levels of molecular hydrogen below 1.3 eV from the bottom of the H-2 well is carried out by means of a statistical quantum method, which assumes the complex-forming nature of the process. Integral cross sections for transitions involving states H-2(v = 0, j = 0-12), H-2(v = 1, j = 0-8), and H-2(v = 2, j = 0-3) are obtained for collision energies within a range of E-min = 10(-5) eV and E-max = 2 eV. Rate constants are then calculated between T = 5 K and 3000 K, and they are compared, when possible, with previous values reported in the literature. As a first application, the cooling rate coefficient of H-2 excited by protons is determined and compared with a recent estimate.
引用
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页数:8
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