Experimental and Theoretical Studies of Molecular Motions in Liquids

液体中分子运动的实验和理论研究

• 批准号: 9117192
• 负责人: Daniel Kivelson
• 金额: $ 46.1万
• 依托单位: University of California-Los Angeles
• 依托单位国家: 美国
• 项目类别: Continuing Grant
• 财政年份: 1992
• 资助国家: 美国
• 起止时间: 1992-01-15 至 1995-06-30
• 项目状态: 已结题
• 来源: https://www.nsf.gov/awardsearch/showAward?AWD_ID=9117192&HistoricalAwards=false
• 关键词: Experimental; Theoretical; Studies; Molecular; Motions

Professor Kivelson is supported by a grant from the Theoretical and Compuational Chemistry Program to study motions of molecules in liquids, especially supercooled liquids whose motions exhibit many anomalous properties. Experimental dynamic light scattering measurements will be carried out together with relevant computer molecular dynamics simulations, and the results will be used, together with extant data, to develop theoretical models relating the molecular motions to the structure of the liquids. Kivelson will devote a major portion of his research effort to searching for a correlation length which diverges with decreasing temperature for supercooled liquids in an effort to confirm the existence of a second order (or higher) phase transition. In another aspect of his research, Kivelson will study the high-frequency molecular motions in liquids which are characterized by cage rattling and barrier crossing. %%% Since most chemical reactions take place in solution, it is of fundamental importance in the field of chemistry to have a molecular level understanding of molecular motion and the interaction between solute and solvent. Kivelson's research involves the use of light scattering experiments and computer simulation to further our understanding of this detailed molecular picture.

Kivelson教授获得了理论与计算化学计划的资助，研究液体中分子的运动，特别是运动表现出许多异常性质的过冷液体。实验动态光散射测量将与相关的计算机分子动力学模拟一起进行，结果将与现有数据一起用于建立分子运动与液体结构相关的理论模型。Kivelson将把他的大部分研究工作用于寻找过冷液体随温度降低而发散的相关长度，以证实二阶（或更高）相变的存在。在他研究的另一个方面，Kivelson将研究液体中的高频分子运动，其特征是笼鸣和屏障穿越。由于大多数化学反应发生在溶液中，所以从分子水平上了解分子运动以及溶质和溶剂之间的相互作用，在化学领域具有根本的重要性。Kivelson的研究包括使用光散射实验和计算机模拟来进一步了解这一详细的分子图像。