Collective Dynamics and Solvation in Bulk and Confined Fluids

本体和受限流体中的集体动力学和溶剂化

• 批准号: 0608640
• 负责人: Branka Ladanyi
• 金额: $ 45.48万
• 依托单位: Colorado State University
• 依托单位国家: 美国
• 项目类别: Standard Grant
• 财政年份: 2006
• 资助国家: 美国
• 起止时间: 2006-06-01 至 2009-05-31
• 项目状态: 已结题
• 来源: https://www.nsf.gov/awardsearch/showAward?AWD_ID=0608640&HistoricalAwards=false
• 关键词: Collective; Dynamics; Solvation; Bulk; Confined

Branka Ladanyi of Colorado State University is supported by an award from the Theoretical and Computational Chemistry program for research on the collective dynamics and solvation of fluids. The research is developing theoretrical and simulation techniques for fluids both in the bulk and confined to small nanoscale volumes. Three separate, but interconnected, areas are being investigated: (1) solvation dynamics and its relation to solute electronic spectra; (2) solvation effects in supercritical fluids; and (3) collective dynamics in nano-confined fluids. The work is being carried out in close collaboration with several experimental groups and is having a broader impact on our understanding of systems with environmental and technological importance, for example the behavior of supercritical fluids which have promise for green chemistry applications.

科罗拉多州立大学的Branka Ladanyi获得了理论和计算化学计划颁发的关于流体集体动力学和溶剂化研究的奖项。这项研究正在开发理论和模拟技术，既适用于大块流体，也适用于小纳米体积的流体。人们正在研究三个相互独立但又相互关联的领域：(1)溶剂化动力学及其与溶质电子光谱的关系；(2)超临界流体中的溶剂化效应；(3)纳米受限流体中的集体动力学。这项工作是在与几个实验小组的密切合作下进行的，并对我们对具有环境和技术重要性的系统的理解产生了更广泛的影响，例如，超临界流体的行为有望用于绿色化学应用。