| Sr＋HF→SrF＋H反应动力学 |
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| 引用本文： | 蔡孟秋,唐碧玉,杨益民,杨国伟.Sr＋HF→SrF＋H反应动力学[J].湘潭大学自然科学学报,2001,23(1):138-142. |
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| 作者姓名： | 蔡孟秋 唐碧玉 杨益民 杨国伟 |
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| 作者单位： | 湘潭大学物理系, |
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| 基金项目： | 国家自然科学基金资助项目 |
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| 摘 要： | 依据LEPS,运用经典轨线来研究振动激发和转动激发对吸热反应 Sr+HF(SrF+H,ΔH0=27.652±6.688kJ/mol的影响．计算结果表明，SrF产物的振动布居与激发无关,相对反应截面随碰撞能量地增加而增加,当碰撞能量增大到48.07kJ/mol后,相对反应截面随碰撞能量地增加而下降．计算结果基本符合实验结果．我们初步地探讨了此反应的动力学．
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| 关 键 词： | 经典轨线 LPES势能面 振动激发 转动激发 吸热反应 反应动力学 相对反应截面 |
| 文章编号： | 1000－5900(2001)01－0138－05 |
| 修稿时间： | 2000年10月20 |
The Dynamics of the
Reaction Sr+HF |
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| Cai Meng-Qiu,Tang Bi-Yu,YANG Yi-min,YANG Guo-wei.The Dynamics of the
Reaction Sr+HF[J].Natural Science Journal of Xiangtan University,2001,23(1):138-142. |
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| Authors: | Cai Meng-Qiu Tang Bi-Yu YANG Yi-min YANG Guo-wei |
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| Abstract: | Quasiclassical trajectory method (QCT) based on the London-Eyring-Polanyi-Sato (LEPS) potential energy surface has been used to investigate the effect of reagent vibrational excitation and translational excitation on the endothermic reaction Sr+HF→SrF+H,ΔH0=(26.752±6.688) kJ/mol. The calculated results show the SrF vibrational distributions are quite similar irrespective of whether the reagent energy is in translation or in vibration. The relative cross section increases with collision energy to about 48.07 kJ/mol and then levels off. The calculated results are in good agreement with experimental results. Moreover, The dynamics on the reaction is initially discussed. |
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| Keywords: | Quasiclassical trajectory LEPS potential energy surface vibrational excitation translational excitation |
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