Published August 1, 2006 | Version v1
Journal article

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

  • 1. Business Computing Research Laboratory, St. Cloud State University, 31 Centennial Hall, 720 Fourth Avenue South, St Cloud, MN 56301-4498 (United States)

Description

Rotational transitions in molecular hydrogen collisions are computed. The two most recently developed potential energy surfaces for the H2-H2 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

Additional details

Identifiers

DOI
10.1016/j.chemphys.2006.03.038;
arXiv
arXiv:physics/0512093v1;
PII
S0301-0104(06)00230-8;

Publishing Information

Journal Title
Chemical Physics
Journal Volume
326
Journal Issue
2-3
Journal Page Range
p. 641-646
ISSN
0301-0104
CODEN
CMPHC2

INIS

Country of Publication
Netherlands
Country of Input or Organization
International Atomic Energy Agency (IAEA)
INIS RN
39096731
Subject category
S74: ATOMIC AND MOLECULAR PHYSICS;
Descriptors DEI
CHEMICAL REACTION KINETICS; CROSS SECTIONS; EXCITATION; HYDROGEN; MOLECULE-MOLECULE COLLISIONS; POTENTIAL ENERGY; QUANTUM MECHANICS
Descriptors DEC
COLLISIONS; ELEMENTS; ENERGY; ENERGY-LEVEL TRANSITIONS; KINETICS; MECHANICS; MOLECULE COLLISIONS; NONMETALS; REACTION KINETICS

Optional Information

Copyright
Copyright (c) 2006 Elsevier Science B.V., Amsterdam, The Netherlands, All rights reserved.