THEORETICAL STUDY OF VIBRATIONAL TRANSITION ATOM EXCHANGE REACTION, AND DISSOCIATION PROCESSES OF VIBRATIONALLY HIGHLY EXCITED MOLECULES BY IMPACT OF ATOMS

振动跃迁原子交换反应和原子撞击引起的高振动激发分子解离过程的理论研究

• 批准号: 08640515
• 负责人: ONDA Kunizo
• 金额: $ 1.15万
• 依托单位: SCIENCE UNIVERSITY OF TOKYO
• 依托单位国家: 日本
• 项目类别: Grant-in-Aid for Scientific Research (C)
• 财政年份: 1996
• 资助国家: 日本
• 起止时间: 1996 至 1997
• 项目状态: 已结题
• 来源: https://kaken.nii.ac.jp/grant/KAKENHI-PROJECT-08640515/
• 关键词: ATOM-MOLUCULE COLLISION; VIBRATIONALLY EXCITED MOLECULES; DISSOCIATION; ATOM EXCHANGE REACTION; VIBRATIONAL TRANSITION; QUANTUM MECHANICAL STUDY; COLLINEAR COLLISION; 原子の組替え反応; 分子の解離過程

1. Collision system investigated. We have investigated collision systems of He + HィイD3+(/)2ィエD3 and H + HィイD22ィエD2, in which interaction potential energy surfaces are available with sufficient accuracy, under a collinear configuration at the total energy from 2 to 10 eV by solving the quantum mechanically proper Schrodinger equation with our numerically accurate method. We have studied collision dynamics for all the vibrational states of HィイD22ィエD2 as an initial vibrational state by exactly taking into account coupling among vibrational elastic and inelastic, atom exchange reaction, and dissociation channels. This is the first investigation for the H + HィイD22ィエD2 collision system with the realistic potential energy surface at the total energy above the dissociation energy of the HィイD22ィエD2 molecule.2. Results. The following subjects have been investigated thoroughly and interesting results have been gained. Some of them have already been published and others are in preparation for publ … More ication.(1) Dependence of probabilities of vibrational transitions, atom exchange reactions, and dissociation in a collinear collision of He with HィイD3+(/)2ィエD3(υィイD2iィエD2) on the total energy;(2) Dependence of probabilities of vibrational transitions, atom exchange reactions, and dissociation in a collinear collision of He with HィイD3+(/)2ィエD3(υィイD2iィエD2) on the initial vibrational state υィイD2iィエD2;(3) Isotope effect on collision dynamics between He and HィイD3+(/)2ィエD3(υィイD2iィエD2);(4) Dependence of probabilities of vibrational transitions, atom exchange reactions, and dissociation in a collinear collision of He with HィイD22ィエD2(υィイD2iィエD2) on the total energy;(5) Dependence of probabilities of vibrational transitions, atom exchange reactions, and dissociation in a collinear collision of He with HィイD22ィエD2(υィイD2iィエD2) on the initial vibrational state υィイD2iィエD2;(6) Isotope effect on collision dynamics between He and HィイD22ィエD2(υィイD2iィエD2);(7) Role of two-body and many-body interaction potentials in collision dynamics between atoms and molecules. Less

1。调查碰撞系统。我们已经研究了HE + HII D3 +（/）2IE D3和H + HII D22IE D2的碰撞系统，其中通过在2到10 eV的共线配置下，通过与我们的数字准确的方法求解了量子机械适当的Schrodinger方程，以足够的准确性可用。我们通过精确考虑了虚拟弹性和非弹性，原子交换反应和解离通道之间的耦合，研究了H-D22-E D2的所有振动状态作为初始病毒状态的碰撞动力学。这是H + H-D22-E D2碰撞系统的首次投资，其逼真的势能表面在H-D22-E D2分子的离解能量上方的总能量上。2。结果。已经对以下主题进行了彻底的研究，并获得了有趣的结果。其中一些已经发表过，另一些已经为公众做准备……更多。 HE与H-D3+（/）2-E-D3（υ-E-D2I-E-D2）在最初的振动状态下吻合攻击HE和H-D3+（/）2-E-D3（υ-E-D2I-D2-D2）的HE和H-D3+（/）23+（4）依赖性的依赖性的依赖性的同位素对He和H-d3+（/）2-e-d3+（/）2-e-d3（3）同位素的影响； HE与H-D22-E-D2（υ-E-D2I-E-D2）的分线对总能量的碰撞；（5）HE与H-D22（∂D2IYED2）在HE的分离率（∂D2IYED2）中对IS的最初振动对IS conterational Coll ch Hee的振动过渡，原子交换反应以及分离的依赖性（原子交换反应以及分离）（6） H-D22（υD2IYED2）;（7）两体和多体相互作用势在原子和分子之间的碰撞动力学中的作用。较少的

项目成果

Kunizo Onda, Kazuhiro Sakimoto: "Quantum mechanical study on energy dependence of probabilities of nonreactive vibrational transitions,atom exchange reaction,and disscociation in acollinear He+H^+_2 collision"Journal of Chemical Physics. 111. 988-996 (199

Kunizo Onda、Kazuhiro Sakimoto：“共线 He H^ _2 碰撞中非反应振动跃迁、原子交换反应和解离的能量依赖性的量子力学研究”化学物理杂志。

KUNIZO ONDA and KAZUHIRO SAKIMOTO: "QUANTUM MECHANICAL STUDY ON ENERGY DEPENDENCE OF PROBABLITIES OF NONREACTIVE VIBRATIONAL TRANSITIONS, ATOM EXCHNGE REACTION, AND DISSOCIATION IN A COLLINEAR He + HィイD3+(/)2ィエD3 COLLISION"JOURNAL OF CHEMICAL PHYSICS. 111

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H.Tawara(editor): "Present Status on Atomic and Molecular Data Relevant to Fusion Plasma Diagnosticsand Modeling" National lnstitute For Fusion Science, 211(62-76) (1997)

H.Tawara（编辑）：“与融合等离子体诊断和建模相关的原子和分子数据的现状”国家融合科学研究所，211（62-76）（1997）