中国物理B ›› 2009, Vol. 18 ›› Issue (1): 167-173.doi: 10.1088/1674-1056/18/1/026
张莉1, 朱正和1, 傅依备1, 罗文浪2, 阮文2
Luo Wen-Lang(罗文浪)a)b), Ruan Wen (阮文)a)b), Zhang Li (张莉)a), Zhu Zheng-He(朱正和)a)†, and Fu Yi-Bei(傅依备)
摘要: The analytical potential energy function of HDO is constructed at first using the many-body expansion method. The reaction dynamics of O+HD (υ=0, j=0) in five product channels are all studied by quasi-classical trajectory (QCT) method. The results show that the long-lived complex compound HDO is the dominant product at low collision energy. With increasing collision energy, O+HD → OH+D and O+HD → OD+H exchange reactions will occur with remarkable characteristics, such as near threshold energies, different reaction probabilities, and different reaction cross sections, implying the isotopic effect between H and D. With further increasing collision energy (e.g., up to 502.08 kJ/mol), O+HD → O+H+D will occur and induce the complete dissociation into single O, H, and D atoms.
中图分类号: (Atom and radical reactions; chain reactions; molecule-molecule reactions)