CHOICE OF GAS KINETIC RATE COEFFICIENTS IN THE VIBRATIONAL-RELAXATION OF HIGHLY EXCITED POLYATOMIC-MOLECULES

被引:57
作者
LENDVAY, G [1 ]
SCHATZ, GC [1 ]
机构
[1] NORTHWESTERN UNIV,DEPT CHEM,EVANSTON,IL 60208
关键词
D O I
10.1021/j100188a035
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
We examine the convergence of average energy transfer with maximum impact parameter in classical trajectory studies of CS2 collisional relaxation by He, Xe, H-2, CO, CS2, and CH4, SF6 relaxation by He, Ar, Xe, and SF6, and SiF4 relaxation by Ar. This leads to estimates of the gas kinetic collision rate coefficient that are substantially larger (by a factor of 3.1 on average, and a maximum of 4.7) than are obtained using the traditional Lennard-Jones collision frequency.
引用
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页码:3752 / 3756
页数:5
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