CALCULATION OF ROTATIONAL ENERGY-TRANSFER RATES FOR HD (V = 1) IN COLLISIONS WITH THERMAL HD

被引:1
作者
BROWN, NJ
LONGUEMARE, M
机构
[1] Applied Science Division, Lawrence Berkeley Laboratory, Berkeley
关键词
D O I
10.1063/1.459022
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
State resolved rotational energy transfer rates for HD + HD collisions have been computed using quasiclassical dynamics. One of the HD molecules is given an energy corresponding to υ = 1 and a specific rotational state, Z 1i≤6. The other HD molecule is given a rotational-vibrational energy corresponding to an eigenstate of HD but selected according to a thermal distribution at 300 K. The translational energy is selected according to the appropriate thermal distribution at 300 K. The energy transfer is dominated by translational-rotational energy exchange. The calculated rotational energy transfer rates are compared with the experiments of Chandler and Farrow. Modest agreement is achieved for J1 i,≤2. Reasons for the lack of agreement are discussed. © 1990 American Institute of Physics.
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页码:2413 / 2417
页数:5
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