US-UK Cooperative Research: Collision Induced and TransportProperties in Atomic and Molecular Fluids

该奖项将支持俄勒冈州立大学的Glenn Evans博士与牛津大学的Paul Madden博士和布里斯托尔大学的Michael Allen博士在物理化学方面的合作研究。埃文斯博士将在两个密切相关的领域开展研究，涉及分子液体的结构和动力学性质理论。液体中的分子会发生非常频繁的碰撞，碰撞诱导的现象直接作为这些碰撞的结果而出现。在这项合作研究的第一部分，埃文斯博士和马登博士将阐述从碰撞诱导的去偏振光散射、振动能量转移和红外光谱的研究中获得了什么类型的分子信息。这项与艾伦博士合作的研究的第二部分将涉及我们设想的在由非球形分子组成的液体中发生碰撞的方式。调查人员将研究碰撞是相关还是不相关的问题。也就是说，一对特定的分子是否会频繁地再碰撞，或者这对分子一旦碰撞就永远不会再碰撞了？这个问题的答案和结果也反映在碰撞诱导散射中，将通过对液体性质的分析来确定，如粘度、导热系数以及分子旋转和平移的速度。分析理论和计算机模拟以及实验数据将被用来解释这些发现。该项目将受益于三名调查员的互补专业知识。埃文斯博士是流体统计机械治疗领域为数不多的世界级理论家之一。马登博士是解释碰撞诱导现象的国际领先者。艾伦博士在模拟非球形物体的流体性质方面是公认的专家。

This award will support collaborative research in physical chemistry between Dr. Glenn Evans, Oregon State University and two British scientists: Dr. Paul Madden, Oxford University and Dr. Michael Allen, University of Bristol. Dr. Evans will carry out research in two closely related areas involving the theory of structural and dynamic properties of molecular liquids. Molecules in a liquid phase undergo extremely frequent encounters and collision induced phenomena arise directly as a consequence of these encounters. In the first part of this collaborative study, Dr. Evans and Dr. Madden will address what type of molecular information is learned from the study of collision induced depolarized light scattering, vibrational energy transfer and infrared spectra. The second part of the collaborative study with Dr. Allen will deal with the way in which we envision the collisions to take place in liquids comprised of nonspherical molecules. The investigators will examine the question of whether the collisions are correlated or uncorrelated. That is, does a specific pair of molecules undergo frequent recollisions or does this pair once having collided never recollide? The answer to and the consequences of this question, which is also reflected in collision induced scattering, will be determined by the analysis of liquid properties, such as the viscosity, thermal conductivity, and rates of molecular rotation and translation. Analytical theory and computer simulation, together with experimental data, will be employed to interpret the findings. The project will benefit from the complementary expertise of the three investigators. Dr. Evans is one of a few world class theoreticians in the statistical mechanical treatment of fluids. Dr. Madden is an international leader in the interpretation of collision induced phenomena. Dr. Allen is an acknowledged expert in the simulation of properties of fluids of nonspherical bodies.