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Time-Dependent Quantum Dynamics of T+CH4 → CH3+HT Reaction
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| BAI Li-Hua1;ZHANG Jing-Tao1;ZHANG Qing-Gang2;XU Zhi-Zhan1 |
| 1Laboratory for High Intensity Optics, Shanghai Institute of Optics and Fine Mechanics, Chinese Academy of Sciences, Shanghai 201800
2Department of Physics, Shandong Normal University, Jinan 250014
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| Cite this article: |
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BAI Li-Hua, ZHANG Jing-Tao, ZHANG Qing-Gang et al 2004 Chin. Phys. Lett. 21 832-835 |
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Abstract Reaction probability, cross section and rate constant are studied for polyatomic reaction T+CH4 → CH3+HT using the semirigid vibrating rotor target (SVRT) model. The numerical calculation for the reaction system is carried out using the time-dependent wavepacket method, and the wavepacket is propagated by the split-operator method. The calculation exhibits a variety of features that can be used for comparison with future experimental investigations. The reaction probability as a function of the translational energy shows slight oscillatory structures, similar to those observed in H abstraction reactions H+H2 and H+CH4. The comparisons with the H+CH4 reaction are described.
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| Keywords:
31.15.Qg
31.70.Hq
34.50.Dy
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Published: 01 May 2004
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