Χ1 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(Χ1 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.

"/>         Χ1 A1) by Monte Carlo quasi-classical trajectory approach. It is shown that the reaction T+OD→DTO 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.

"/>     T+OD体系的同位素交换反应动力学
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物理学报  2011, Vol. 60 Issue (12): 123102     doi:10.7498/aps.60.123102
原子和分子物理学 当期目录| 过刊浏览| 高级检索     
T+OD体系的同位素交换反应动力学
朱志艳1, 朱正和2, 张莉2, 李培刚1, 唐为华1, 郑莹莹1
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
Isotope interchange reaction dynamics of the T+OD system
Zhu Zhi-Yan1, Zhu Zheng-He2, Zhang Li2, Li Pei-Gang1, Tang Wei-Hua1, Zheng Ying-Ying1
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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