Open AccessAsymmetry of molecular reactive collision of the DTO molecules
Author(s) -
Ruan Wen,
Wenbin Luo,
Zhang Li,
Zhu Zheng-He,
Yongchun Fu
Publication year - 2009
Publication title -
wuli xuebao
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.199
H-Index - 47
ISSN - 1000-3290
DOI - 10.7498/aps.58.1537
Subject(s) - collision , physics , asymmetry , monte carlo method , atomic physics , molecule , trajectory , potential energy surface , energy (signal processing) , function (biology) , cross section (physics) , molecular dynamics , potential energy , molecular physics , quantum mechanics , statistics , computer security , mathematics , evolutionary biology , computer science , biology
Based on the potential energy function which considers the nuclear motion and isotopic effect of DTO (X1A1), the atomic and molecular reactive collision for O+DT has been studied by Monte-Carlo quasi-classical trajectory approach. It is shown that the reaction O+DT→DTO with a long-lived complex compound has no threshold energy at low collision energy, which agrees with the potential surface. When the collision energy is higher than 209.2 kJ·mol-1, the interchange reactions will start and then increase until DTO molecules are decomposed completely into D, T, O with the collision energy increasing. The interchange reactions O+DT(0, 0)→OD+T and O+DT (0, 0)→OT+D have corresponding threshold energies. The trajectories and collision section of interchange reactions show asymmetrical distribution which corresponds to the potential surface.