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Quasi-Classical Trajectory Study on O++DH (v=0, j=0)→OD++H Reaction at Different Collision Energy
Hai-zhu Sun,Xin-guo Liu*,Juan-juan Lv,Hui-rong Liu
Author NameAffiliationE-mail
Hai-zhu Sun College of Physics and Electronics, Shandong Normal University, Ji'nan 250014, China  
Xin-guo Liu* College of Physics and Electronics, Shandong Normal University, Ji'nan 250014, China liuxinguo@sdnu.edu.cn 
Juan-juan Lv College of Physics and Electronics, Shandong Normal University, Ji'nan 250014, China  
Hui-rong Liu College of Physics and Electronics, Shandong Normal University, Ji'nan 250014, China  
Abstract:
The quasi-classical trajectory calculations O++DH (v=0, j=0)→OD++H reactions on the RODRIGO potential energy surface have been carried out to study the isotope effect onstereo-dynamics at the collision energies of 1.0, 1.5, 2.0, and 2.5 eV. The distributions of dihedral angle P(φr) and the distributions of P(θr) are discussed. Furthermore, the angular distributions of the product rotational vectors in the form of polar plot in θr and φr are calculated. The differential cross section shows interesting phenomenon that the reaction is dominated by the direct reaction mechanism. Reaction probability and reaction cross section are also calculated. The calculations indicate that the stereo-dynamics properties of the title reactions are sensitive to the collision energy.
Key words:  Stereo-dynamics, Quasi-classical trajectory method, Polarization-dependent differential cross-section
FundProject:
碰撞能对O++DH (v=0, j=0)→OD++H的准经典轨线
孙海竹,刘新国*,吕娟娟,刘会荣
摘要:
运用准经典轨线的方法,基于RODRIGO势能面,研究反应体系O++DH (v=0, j=0)→OD++H的立体动力学性质. 对描述k-j′两矢量相关和k-k′-j′三矢量相关的分布函数P(θr)和P(φr)以及产物转动取向参数进行了详细的讨论,发现极化微分反应截面呈现有趣的现象. 计算了反应几率与反应截面. O++DH (v=0, j=0)→OD++H反应的立体动力学性质对体系的碰撞能非常敏感.
关键词:  立体动力学,准经典轨线方法,极化微分反应截面
DOI:10.1088/1674-0068/23/05/521-526
分类号: