Vibrational-rotational energy transfer in H2-H2 collisions:: III.: Ortho-ortho collisions

被引:9
作者
Zenevich, VA
Billing, GD [1 ]
Jolicard, G
机构
[1] Univ Copenhagen, HC Orsted Inst, Dept Chem, DK-2100 Copenhagen, Denmark
[2] Observ Besancon, Astrophys Lab, CNRS, UPRESA 6091, F-25010 Besancon, France
关键词
D O I
10.1080/00268970009483374
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
A recently proposed [1999, J. chem. Phys., 111, 2401 and 1999, Chem. Phys. Lett., 312, 530] new semi-classical decoupling procedure for rotational projection states in ro-vibrationally inelastic atom-diatom and diatom-diatom collisions is applied to inelastic collisions in molecular hydrogen. The role of initial rotational excitation of both collision partners in the ro-vibrational transitions, attached to the vibrational (10 --> 00) transition in ortho-H-2, is analysed in detail. The computed vibrational self-relaxation rate constant for ortho-H-2 (as earlier for para-H-2, too) is in good quantitative agreement (within a factor of 2) with experimental data over the whole experimentally investigated temperature range, 50-3000 K. This also indicates that the more detailed (non-measured) rate constants for ro-vibrational state-to-state transitions in molecular hydrogen, calculated by our new model, are sufficiently accurate for astrophysical applications.
引用
收藏
页码:1691 / 1695
页数:5
相关论文
共 21 条
[1]   THEORETICAL-STUDY OF LOW-TEMPERATURE VIBRATIONAL-RELAXATION OF ORTHO-H-2 IN COLLISIONS WITH HE-4 [J].
ALEXANDER, MH .
CHEMICAL PHYSICS LETTERS, 1976, 38 (03) :417-421
[2]   VIBRATIONAL-RELAXATION OF H2 IN RANGE 500-40 DEGREES K [J].
AUDIBERT, MM ;
JOFFRIN, C ;
DUCUING, J .
CHEMICAL PHYSICS LETTERS, 1974, 25 (02) :158-163
[3]   VIBRATIONAL-RELAXATION OF ORTHO AND PARA-H2 IN RANGE 400-50K [J].
AUDIBERT, MM ;
VILASECA, R ;
LUKASIK, J ;
DUCUING, J .
CHEMICAL PHYSICS LETTERS, 1975, 31 (02) :232-236
[4]   SEMICLASSICAL CALCULATIONS OF RATE CONSTANTS FOR VIBRATIONAL TRANSITIONS IN HYDROGEN [J].
BILLING, GD ;
KOLESNICK, RE .
CHEMICAL PHYSICS LETTERS, 1993, 215 (06) :571-575
[5]   CLASSICAL PATH METHOD IN INELASTIC AND REACTIVE SCATTERING [J].
BILLING, GD .
INTERNATIONAL REVIEWS IN PHYSICAL CHEMISTRY, 1994, 13 (02) :309-335
[6]  
BILLING GD, 1984, COMPUT PHYS REP, V1, P237, DOI 10.1016/0167-7977(84)90006-6
[7]  
BILLING GD, 1998, ENCY COMPUTATIONAL C, P1587
[8]   A quasiclassical trajectory study of the H2+H2 reaction [J].
Ceballos, A ;
Garcia, E ;
Rodríguez, A ;
Laganà, A .
CHEMICAL PHYSICS LETTERS, 1999, 305 (3-4) :276-284
[9]   VIBRATIONAL-RELAXATION OF H2 .1. EXPERIMENTAL MEASUREMENTS OF RATE OF RELAXATION BY H2, HE, NE, AR AND KR [J].
DOVE, JE ;
TEITELBAUM, H .
CHEMICAL PHYSICS, 1974, 6 (03) :431-444
[10]   JZETA-CONSERVING COUPLED STATES APPROXIMATION - MAGNETIC TRANSITIONS AND ANGULAR-DISTRIBUTIONS IN ROTATING AND FIXED FRAMES [J].
KOURI, DJ ;
SHIMONI, Y .
JOURNAL OF CHEMICAL PHYSICS, 1977, 67 (01) :86-98