T+OD体系的同位素交换反应动力学

朱志艳; 朱正和; 张莉; 李培刚; 唐为华; 郑莹莹

doi:10.7498/aps.60.123102

摘要

基于DTO(1 A1)分子的多体展式分析势能函数,用准经典的Monte Carlo轨迹法研究了T+OD(0,0)体系的分子反应动力学过程. 结果表明,在碰撞能较低(小于121.34 kJ mol-1)时,可以生成长寿命DTO(1 A1)络合物,并且该络合反应是有阈能反应,这与用多体项展式理论计算的DTO分子势能曲线结果一致. 随碰撞能增加,逐渐出现置换产物DT和OT,最终分子被完全碰散成D,T和O原子,而且反应T+OD(0,0)OT+D,T+OD(0,0)DT+O和T+OD(0,0)D+T+O也是有阈能反应. 由于D和T原子的同位素效应,T+OD(0,0)与D+OT(0,0)体系的碰撞反应特征存在非一致性.

关键词:

Abstract

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.

Keywords:

作者及机构信息

1.
浙江理工大学光电材料与器件中心,杭州 310018;

2.
四川大学原子与分子物理研究所,成都 610065

基金项目: 中国工程物理研究院科学技术发展基金(批准号: 20030867, 03H377)资助的课题.

Authors and contacts

1.
Center for Optoelectronics Materials and Devices, Zhejiang Sci-Tech University, Hangzhou 310018, China;

2.
Institute of Atomic and Molecular Physics, Sichuan University, Chengdu 610065, China

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施引文献

[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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