化学反应动力学的若干前沿课题研究立项报告
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摘要
化学是人类认识和改造物质世界的主要方法和工具之一,认识和研究化学反应的本质及其规律是化学学科的一个重要研究方向。化学动力学是一门从宏观反应速率到微观的原子、分子以及量子态的水平上研究各种化学反应的动力学本质及规律的学问。探索和认识化学反应过程中的动力学本质对于推动化学学科的发展发挥着极其重要的作用。在过去的几十年中,化学动力学研究取得一系列重大成就:揭示了化学反应的本质,弄清了大气臭氧层破坏的机理以及重要表面催化反应的机制,推进了化学激光的发展,发现了碳-60分子等。1990年以来,有7项诺贝尔化学奖的获奖内容与化学反应动力学密切相关。这一切表明化学反应动力学是当今最活跃、最前沿的研究领域之一,也是其他相关学科的重要基础。近20年来,化学动力学的研究已经从宏观层次深入到原子分子以及量子态的层次,时间尺度也从微秒、纳秒走向飞秒、阿秒,研究的对象也从简单的气相反应体系扩展到多元反应以及界面等体系,为与能源和环境等重要科学技术相关的化学反应过程的研究提供了重要的实验和理论基础。该研究的主要目的是发展和利用国际先进的动力学实验技术和高精度动力学理论相结合的方法,深入细致地研究若干重要化学过程中的动力学机理,在原子分子的层次和量子态分辨水平上揭示基本化学动力学规律。我们将以发展化学动力学理论为主线,紧密结合能源、环境等领域的需求,开展若干动力学前沿课题的基础性、原创性的研究工作。拟解决的关键科学问题包括:(1)包括多原子体系在内的基元化学反应动力学;(2)重要的燃烧反应动力学;(3)团簇分子以及表面反应动力学;(4)分子的激发态动力学行为(5)表面光化学反应的微观动力学机理;(6)多原子体系以及表面反应的动力学理论和方法的发展与应用。依据研究内容项目设置6个研究课题,我们将发展国际先进的、原创的化学动力学实验和理论方法,在若干重要化学过程的动力学前沿领域做出原创性的成果,建设具有国际先进水平的动力学实验和理论研究基地。
Understanding the natures and rules of chemical reactions is an important direction of research in chemistry. The chemical dynamics is a discipline which studies the dynamical natures and rules of various chemical reactions from macroscopic reaction rates to the microscopic mechanisms on atomic, molecular, and quantum state levels. The exploration and learning of the dynamical nature in the chemical reaction play a vital role in the development of chemistry discipline. Over the past decades, there have been a series of achievements in the research of chemical dynamics, such as the revelation of the nature of chemical reaction, the clarification of the mechanism of ozone depletion, the development of chemical lasers, the discovery of C60 molecule, etc. This program is aimed to study the dynamical mechanisms of several important chemical processes with depth and detail, revealed the fundamental rules of chemical dynamics on the atomic and molecular level with quantum-state resolved resolution, by developing and using the international advanced experimental techniques and high-precision dynamic theories. We will focus on the development of chemical dynamics theory and work on the fundamental and original research about several front dynamical subjects. These front subjects include the reaction dynamics on the polyatomic system, combustion chemical kinetics, reaction dynamics of cluster and surface, the dynamics of excited state molecule, photochemical dynamics on surface, and new methodologies for chemical cynamics and kinetics. According to the research content there are 6 subjects in this program, which are organized and implemented by the chief scientist and undertaken by Dalian Institute of Chemical Physics, CAS., University of Science and Technology of China, Fudan University, Institute of Chemistry, CAS., Tsinghua University, Peking University, Nanjing University, and Beijing Normal University respectively. The research team consists of 28 people, including one academician of CAS and 27 professors. We will publish 400 SCI papers, among which 40 papers in high-end academic journals such as JACS, PRL, and endeavour to publish our research results in Science or Nature. The budget of this program is 39.6 million RMB yuan.
Understanding the natures and rules of chemical reactions is an important direction of research in chemistry. The chemical dynamics is a discipline which studies the dynamical natures and rules of various chemical reactions from macroscopic reaction rates to the microscopic mechanisms on atomic, molecular, and quantum state levels. The exploration and learning of the dynamical nature in the chemical reaction play a vital role in the development of chemistry discipline. Over the past decades, there have been a series of achievements in the research of chemical dynamics, such as the revelation of the nature of chemical reaction, the clarification of the mechanism of ozone depletion, the development of chemical lasers, the discovery of C60 molecule, etc. This program is aimed to study the dynamical mechanisms of several important chemical processes with depth and detail, revealed the fundamental rules of chemical dynamics on the atomic and molecular level with quantum-state resolved resolution, by developing and using the international advanced experimental techniques and high-precision dynamic theories. We will focus on the development of chemical dynamics theory and work on the fundamental and original research about several front dynamical subjects. These front subjects include the reaction dynamics on the polyatomic system, combustion chemical kinetics, reaction dynamics of cluster and surface, the dynamics of excited state molecule, photochemical dynamics on surface, and new methodologies for chemical cynamics and kinetics. According to the research content there are 6 subjects in this program, which are organized and implemented by the chief scientist and undertaken by Dalian Institute of Chemical Physics, CAS., University of Science and Technology of China, Fudan University, Institute of Chemistry, CAS., Tsinghua University, Peking University, Nanjing University, and Beijing Normal University respectively. The research team consists of 28 people, including one academician of CAS and 27 professors. We will publish 400 SCI papers, among which 40 papers in high-end academic journals such as JACS, PRL, and endeavour to publish our research results in Science or Nature. The budget of this program is 39.6 million RMB yuan.
引文