| Theoretical study of stereodynamics for the O（3P） ＋ H2 → OH ＋ H reaction |
| |
| 引用本文： | 刘世莉,石英.Theoretical study of stereodynamics for the O（3P） ＋ H2 → OH ＋ H reaction[J].中国物理 B,2011,20(1):13404-013404. |
| |
| 作者姓名： | 刘世莉 石英 |
| |
| 作者单位： | Institute of Atomic and Molecular Physics, Jilin University, Changchun 130012, China |
| |
| 基金项目： | Project supported by Jilin University, China (Grant No. 419080106440). |
| |
| 摘 要： | This paper employs the quasi-classical trajectory calculations to study the influence of collision energy on the title reaction on the potential energy surface of the ground 3A' triplet state developed by Rogers et al. (J. Phys. Chem. A 2000 104 2308). It calculates the product angular distribution of P(θr), P(φr) and P(θr, φr) which reflects vector correlation. The distribution P(θr) shows that product rotational angular momentum vectors j' of the products are strongly aligned along the relative velocity direction k. The distribution of P(φr) implies a preference for left-handed product rotation in planes parallel to the scattering plane. Four different polarisation-dependent cross-sections are also presented in the centre-of-mass frame. Results indicate that OH is sensitively affected by collision energies of H2.
|
| 关 键 词： | 反应势能面 飞机产品 氢气 羟基 轨迹计算 碰撞能量 注册商标 相对速度 |
| 收稿时间： | 6/1/2010 12:00:00 AM |
Theoretical study of stereodynamics for the O(3P) + H2 → OH + H reaction |
| |
| Liu Shi-Li and Shi Ying.Theoretical study of stereodynamics for the O(3P) + H2 → OH + H reaction[J].Chinese Physics B,2011,20(1):13404-013404. |
| |
| Authors: | Liu Shi-Li and Shi Ying |
| |
| Affiliation: | Institute of Atomic and Molecular Physics, Jilin University, Changchun 130012, China;Institute of Atomic and Molecular Physics, Jilin University, Changchun 130012, China |
| |
| Abstract: | This paper employs the quasi-classical trajectory calculations to study the influence of collision energy on the title reaction on the potential energy surface of the ground 3A' triplet state developed by Rogers et al. (J. Phys. Chem. A 2000 104 2308). It calculates the product angular distribution of P(θr), P(φr) and P(θr, φr) which reflects vector correlation. The distribution P(θr) shows that product rotational angular momentum vectors j' of the products are strongly aligned along the relative velocity direction k. The distribution of P(φr) implies a preference for left-handed product rotation in planes parallel to the scattering plane. Four different polarisation-dependent cross-sections are also presented in the centre-of-mass frame. Results indicate that OH is sensitively affected by collision energies of H2. |
| |
| Keywords: | quasi-classical trajectory polarisation-dependent generalised differential cross-sections stereodynamics |
| 本文献已被 维普 等数据库收录！ |
| 点击此处可从《中国物理 B》浏览原始摘要信息 |
|
点击此处可从《中国物理 B》下载免费的PDF全文 |
