T+OD体系的同位素交换反应动力学  

Isotope interchange reaction dynamics of the T+OD system

作　　者：朱志艳[1] 朱正和[2] 张莉[2] 李培刚[1] 唐为华[1] 郑莹莹[1] 

机构地区：[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

出　　处：《物理学报》2011年第12期132-138,共7页Acta Physica Sinica

基　　金：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~~

摘　　要：基于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121.34kJ·mol-1)时,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.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＋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.

关 键 词：DTO 分子反应动力学 轨线 反应截面 

分 类 号：O643.1[理学—物理化学]