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The atomic and molecular reaction dynamics for T+OD have been studied basad on the potential energy function of DTO(1 A1) by Monte Carlo quasi-classical trajectory approach. It is shown that the reaction T+ODDTO with a long-lived complex has a threshold energy at low collision energy, which accords with the potential curve. The interchange reaction increases with collision energy increasing, until the DTO molecules decompose into D, T, and O completely, and these reactions have threshold energyies too. The trajectories and the collision cross-sections of T+OD(0, 0) and D+OT(0, 0) are different due to the isotopic effect of D atom and T atom.
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Keywords:
- DTO /
- molecular reaction dynamics /
- trajectory /
- reactive section
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[35] -
[1] Spagnolo D A, Everatt A E, Seto P W K 1988 Fusion Sci. Technol. 14 501
[2] [3] Lu G D, Jiang G Q,Shen C S 1995 Fusion Sci. Technol. 28 672
[4] [5] Alekseev I A, Bondarenko S D, Fedorchenko O A 2002 Fusion Sci. Technol. 41 1097
[6] [7] Zhong Z K, Zhang L, Sun Y, Chen Y L, Zhu Z H 2004 At. Ener. Sci. Technol. 38 148 (in Chinese) [钟正坤、张 莉、孙颖、陈银亮、朱正和 2004 原子能科学技术 38 148]
[8] Luo Y M, Wang H Y, Liu J 2005 At. Ener. Sci. Technol. 39 49(in Chinese) [罗阳明、王和义、刘 俊 2005 原子能科学技术 39 49]
[9] [10] Pyper J W, Chritensen L D 1975 J. Chem. Phys. 62 2596
[11] [12] Wang W L, Emanuel S, Joao B 2006 J. Chem. Phys. 124 074305
[13] [14] Chu T S, Zhang X, Han K L 2005 J. Chem. Phys. 122 214301
[15] [16] [17] Chu T S, Zhang Y, Han K L 2006 Int. Rev. Phys. Chem. 25 201
[18] [19] Meng D Q, Jiang G, Liu X Y, Luo D L, Zhang W X, Zhu Z H 2001 Acta Phys. Sin. 50 1268 (in Chinese) [蒙大桥、蒋 刚、刘晓亚、罗德礼、张万箱、朱正和 2001 物理学报 50 1268]
[20] Xue W D, Wang H Y, Zhu Z H, Zhang G F, Zou L X, Chen C A, Sun Y 2002 Acta Phys. Sin. 51 2503 (in Chinese) [薛卫 东、王红艳、朱正和、张广丰、邹乐西、陈长安、孙 颖 2002 物理学报 51 2503]
[21] [22] [23] Luo D L, Meng D Q, Zhu Z H 2003 Acta Phys. Sin. 52 2438(in Chinese) [罗德礼、蒙大桥、朱正和 2003物理学报 52 2438]
[24] [25] Liu X Y, Zhu Z H, Jiang G, Chen H D 2005 Sci. China G 35 415 (in Chinese) [刘晓亚、朱正和、蒋 刚、陈涵德 2005 中国科学 G 35 415]
[26] Feng X, Zhu Z H, Liu X Y, Yang X D, Huang W 2009 Acta Phys. Sin. 58 8217 (in Chinese) [冯 兴、朱正和、刘晓亚、杨向东、黄 玮 2009 物理学报 58 8217]
[27] [28] Zhu Z Y, Zhu Z H, Zhang L, Wang H Y, Gao T 2009 Sci. China G 39 378 (in Chinese) [朱志艳、朱正和、张 莉、王红艳、高 涛 2009 中国科学 G 39 378]
[29] [30] Han K L, He G Z, Lou N Q 1996 J. Chem. Phys. 105 8699
[31] [32] Gao T, Wang H Y, Huang Z, Tan M L, Zhu Z H, Sun Y, Wang X L, Fu Y B 1999 J. At. Mol. Phys. 16 162 (in Chinese) [高 涛、王红艳、黄 整、谭明亮、朱正和、孙 颖、汪小琳、傅依备 1999 原子与分子物理学报 16 162]
[33] [34] Zhu Z Y, Zhu Z H, Zhang L, Hong F Y, Zhu H W, Shi S Q 2011 Sci. China G 41 267(in Chinese) [朱志艳、朱正和、张 莉、洪方昱、朱晖文、施思齐 2011 中国科学 G 41 267]
[35]
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