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.... 展开 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. 收起