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
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
收藏
页码:641 / 646
页数:6
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