中国物理B ›› 2004, Vol. 13 ›› Issue (7): 1013-1017.doi: 10.1088/1009-1963/13/7/008
王明良1, 张增辉1, 刘新国2, 张庆刚2, 张怿慈2
Liu Xin-Guo (刘新国)a, Zhang Qing-Gang (张庆刚)a, Zhang Yi-Ci (张怿慈)a, Wang Ming-Liang (王明良)b, John Zhang Zeng-Hui (张增辉)b
摘要: The semirigid vibrating rotor target (SVRT) model has been applied to the study of the reaction of D+CH_4→CH_3+HD using a time-dependent wave packet method. The energy dependence of the calculated reaction probability shows oscillatory structures similar to those observed in the abstraction reaction of H+H_2, H+CH_4 etc. We have also studied the influence of rotational and vibrational excitation of the reacting molecule (CH_4) on reaction probability. The excitation of the H-CH_3 stretching vibration gives significant enhancement of reaction probability, which rises significantly with the enhancement of rotational quantum number j. Finally, we have compared the cross section and the rate constant of the D+CH_4 system with that of the H+CH_4 system.
中图分类号: (Quantum theory of reaction cross section)