State resolved rotational excitation cross-sections and rates in H2+H2 collisions

被引：16

作者：

Sultanov, Renat A. ^{[1
]}

Guster, Dennis ^{[1
]}

机构：

[1] St Cloud State Univ, Business Comp Res Lab, Toyono, Osaka 56301, Japan

来源：

CHEMICAL PHYSICS | 2006年 / 326卷 / 2-3期

关键词：

hydrogen molecule; rotational excitation; potential energy surface; close-coupling method; rate constants;

D O I：

10.1016/j.chemphys.2006.03.038

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：

Rotational transitions in molecular hydrogen collisions are computed. The two most recently developed potential energy surfaces for the H-2-H-2 system are used from the following works: [A.I. Boothroyd, P.G. Martin, W.J. Keogh, M.J. Peterson, J. Chem. Phys., 116 (2002) 666; P. Diep, J.K. Johnson, J. Chem. Phys., 113 (2000) 3480; P. Diep, J.K. Johnson, J. Chem. Phys., 112 (2000) 4465]. Cross-sections for rotational transitions 00, 20, 22, 40, 42, 44 and corresponding rate coefficients are calculated using a quantum-mechanical approach. Results are compared for a wide range of kinetic temperatures 300 K <= T <= 3000 K. (c) 2006 Elsevier B.V. All rights reserved.

引用

页码：641 / 646

页数：6

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