Theoretical Studies of the Liquid State

液态的理论研究

• 批准号: 9123172
• 负责人: David Oxtoby
• 金额: $ 33.8万
• 依托单位: University of Chicago
• 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: 1992-04-01 至 1995-09-30
• 项目状态: 已结题
• 来源: https://www.nsf.gov/awardsearch/showAward?AWD_ID=9123172&HistoricalAwards=false
• 关键词: Theoretical; Studies; Liquid; State

Professor David Oxtoby is supported by a grant from the Theoretical and Computational Chemistry Program to perform theoretical studies of the liquid state. His research is directed toward the fundamental properties that underlie the phase transitions between gas, liquid, and crystalline states of matter. Major emphasis is placed on studying the dynamics of these state changes, the rates of nucleation and the rates of crystal growth. Oxtoby will employ modern statistical mechanics methods which he has developed, especially density functional methods, to study these problems. Applications include the condensation of liquids from the vapor, the crystallization of colloidal fluids, and the rapid solidification of metal alloys. %%% Nucleation is a very important physical process which has important implications in such diverse areas as atmospheric chemistry and metallurgy. The dynamics of phase changes depend critically on the nucleation process. Professor Oxtoby has pioneered the development of a theoretical technique known as density functional theory which he is using to study gas phase to liquid phase nucleation, and liquid phase to solid phase nucleation.

教授大卫奥克斯托比是由赠款的支持， 理论和计算化学课程执行 液态的理论研究。 他的研究是 针对的基本属性， 气体、液体和晶体之间的相变 物质状态 主要重点放在研究 这些状态变化的动力学，成核速率和 晶体生长的速率。 Oxtoby将采用现代 统计力学的方法，他已经开发， 特别是密度泛函方法，来研究这些 问题 应用包括液体的冷凝 从蒸汽，胶体流体的结晶，和 金属合金的快速凝固。 %%% 成核是一个非常重要的物理过程， 对大气层等不同领域的重要影响 化学和冶金学。 相变动力学 关键取决于成核过程。 教授 奥克斯托比开创了一种理论 密度泛函理论， 用于研究气相到液相成核， 液相到固相成核。