Kinetics of Nucleation in Phase Changes of Large Molecular Clusters

大分子团簇相变成核动力学

• 批准号: 9530460
• 负责人: Lawrence Bartell
• 金额: $ 38.58万
• 依托单位: Regents of the University of Michigan - Ann Arbor
• 依托单位国家: 美国
• 项目类别: Continuing Grant
• 财政年份: 1996
• 资助国家: 美国
• 起止时间: 1996-05-15 至 1999-04-30
• 项目状态: 已结题
• 来源: https://www.nsf.gov/awardsearch/showAward?AWD_ID=9530460&HistoricalAwards=false
• 关键词: Kinetics; Nucleation; Phase; Changes; Large

In this project in the Experimental Physical Chemistry Program of the Chemistry Division, Bartell will study the kinetics of homogeneous nucleation in condensed matter using both experiments and numerical computations. Among the methods to be used are a new real-time electron diffraction experimental technique and a complementary computational technique involving Monte Carlo and Molecular Dynamics calculations. Nucleation rates will be studied for a variety of systems, the principal of which is water, which exhibits poorly understood and anomalous behavior. Water is important in many fields besides chemistry, such as atmospheric science, biology, and materials processing. The experimental and calculational studies in this project will help in our understanding of such phenomena as the condensation or freezing of water, very elementary processes which we still can not describe well.

在这个项目中，在实验物理化学计划的 化学部，巴特尔将研究均相动力学 凝聚态成核的实验和数值模拟 计算。 使用的方法包括一种新的实时电子 衍射实验技术和一个互补的计算 包括Monte Carlo和分子动力学计算的技术。 成核率将研究各种系统，主要的 其中之一是水，它表现出知之甚少和异常 行为 除了化学，水在许多领域都很重要，例如大气 科学、生物学和材料加工。 实验和 在这个项目中的计算研究将有助于我们理解 像水的凝结或冻结这样的现象，非常基本 我们仍然无法很好地描述的过程。