| O+DT体系分子反应动力学的非对称性 |
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| 引用本文： | 朱志艳,朱正和,张莉,李培刚,傅景礼.O+DT体系分子反应动力学的非对称性[J].科学通报,2012(9):697-702. |
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| 作者姓名： | 朱志艳 朱正和 张莉 李培刚 傅景礼 |
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| 作者单位： | 浙江理工大学物理系光电材料与器件中心;四川大学原子与分子物理研究所 |
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| 基金项目： | 中国工程物理研究院科学技术基金(20030867,03H377);浙江省自然科学基金(Y6110314);国家自然科学基金(11072218)资助 |
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| 摘 要： | 基于考虑了氢同位素效应的DTO(1A1)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O+DT(0,0)体系的分子反应动力学过程.结果表明,在碰撞能较低时(<209.20kJ/mol),可以生成长寿命DTO(1A1)络合物,并且该络合反应是有阈能反应,这一结论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OT和OD,最终分子被完全碰散成D,T和O原子,而且反应O+DT(0,0)→OT+D,O+DT(0,0)→OD+T和O+DT(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,置换产物OD与OT的反应特征存在非对称性.
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| 关 键 词： | DTO 势能函数 分子反应动力学 轨线非对称性 反应截面 |
Asymmetry of molecular reaction dynamics of the O+DT system |
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| ZHU ZhiYan,ZHU ZhengHe,ZHANG Li,LI PeiGang,& FU JingLi.Asymmetry of molecular reaction dynamics of the O+DT system[J].Chinese Science Bulletin,2012(9):697-702. |
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| Authors: | ZHU ZhiYan ZHU ZhengHe ZHANG Li LI PeiGang & FU JingLi |
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| Institution: | 1 Department of Physics,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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| Abstract: | The atomic and molecular reaction dynamics for O+DT has been studied on the potential energy function of DTO (1A1) by Monte-Carlo quasi-classical trajectory approach.It is shown that the reaction O+DT→DTO with a long-lived complex has threshold energy at low collision energy,which agrees with the potential surface.The interchange reactions are increased with the collision energy increasing,until the DTO molecules will decompose into D,T,and O completely,and these reactions have threshold energy too.The trajectories and collision sections of O+DT(0,0)→D+OT and O+DT(0,0)→T+OD present asymmetrical distribution due to the isotopic effect of deuterium and tritium atom,which corresponds to the potential surface. |
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| Keywords: | DTO potential function molecular reaction dynamics asymmetrical trajectory reactive section |
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