Collective Dynamics and Solvation in Bulk and Confined Fluids

科罗拉多州立大学的Branka Ladanyi在流体的集体动力学和溶剂化方面的研究获得了理论与计算化学项目的奖励。该研究正在开发流体的理论和模拟技术，既适用于整体流体，也适用于小纳米尺度的流体。三个独立但相互联系的领域正在进行研究：(1)溶剂化动力学及其与溶质电子谱的关系；(2)超临界流体的溶剂化效应；(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，它有望用于绿色化学应用。

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.