| The characteristics of O＋HD （v = 0, j = 0） reaction dynamics |
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| 引用本文： | 罗文浪,阮文,张莉,朱正和,傅依备.The characteristics of O＋HD （v = 0, j = 0） reaction dynamics[J].中国物理 B,2009,18(1):167-173. |
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| 作者姓名： | 罗文浪 阮文 张莉 朱正和 傅依备 |
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| 作者单位： | Institute of Atomic and Molecular Physics, Sichuan University, Chendu 610065, China;College of Information Science, Jinggangshan University,
Ji'an 343009, China;Institute of Atomic and Molecular Physics, Sichuan University, Chendu 610065, China;College of Information Science, Jinggangshan University,
Ji'an 343009, China;Institute of Atomic and Molecular Physics, Sichuan University, Chendu 610065, China;Institute of Atomic and Molecular Physics, Sichuan University, Chendu 610065, China;Institute of Atomic and Molecular Physics, Sichuan University, Chendu 610065, China |
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| 基金项目： | Project
supported by the National Natural Science Foundation of China (Grant
No 10676022). |
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| 摘 要： | The analytical potential energy function of HDO is constructed at first using the many-body expansion method.The reaction dynamics of O+HD(v = 0,j = 0) in five product channels are all studied by quasi-classical trajectory(QCT) method.The results show that the long-lived complex compound HDO is the dominant product at low collision energy.With increasing collision energy,O+HD → OH+D and O+HD → OD+H exchange reactions will occur with remarkable characteristics,such as near threshold energies,different reaction probabilities,and different reaction cross sections,implying the isotopic effect between H and D.With further increasing collision energy(e.g.,up to 502.08 kJ/mol),O+HD → O+H+D will occur and induce the complete dissociation into single O,H,and D atoms.
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| 关 键 词： | O+HD molecular reaction dynamics analytical potential energy function(APEF) quasi-classical trajectory(QCT) method |
| 收稿时间： | 2008-05-24 |
The characteristics of O+HD (v=0, j=0) reaction dynamics |
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| Luo Wen-Lang,Ruan Wen,Zhang Li,Zhu Zheng-He and Fu Yi-Bei.The characteristics of O+HD (v=0, j=0) reaction dynamics[J].Chinese Physics B,2009,18(1):167-173. |
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| Authors: | Luo Wen-Lang Ruan Wen Zhang Li Zhu Zheng-He and Fu Yi-Bei |
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| Institution: | Institute of Atomic and Molecular Physics, Sichuan University, Chendu 610065, China; Institute of Atomic and Molecular Physics, Sichuan University, Chendu 610065, China;College of Information Science, Jinggangshan University,
Ji'an 343009, China |
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| Abstract: | The analytical potential energy function of HDO is constructed at
first using the many-body expansion method. The reaction dynamics of
O+HD (v=0, j=0) in five product channels are all studied by
quasi-classical trajectory (QCT) method. The results show that the
long-lived complex compound HDO is the dominant product at low
collision energy. With increasing collision energy, O+HD $\to$ OH+D
and O+HD $\to$ OD+H exchange reactions will occur with remarkable
characteristics, such as near threshold energies, different reaction
probabilities, and different reaction cross sections, implying the
isotopic effect between H and D. With further increasing collision
energy (e.g., up to 502.08\,kJ/mol), O+HD $\to$ O+H+D will occur and
induce the complete dissociation into single O, H, and D atoms. |
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| Keywords: | O+HD molecular reaction
dynamics analytical potential energy function (APEF) quasi-classical trajectory (QCT) method |
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