Collective Dynamics and Solvation in Bulk and Confined Fluids

科罗拉多州立大学的Branka Ladanyi获得了理论与计算化学项目的一项奖项，该奖项旨在研究流体的集体动力学和溶剂化。 这项研究正在为散装和局限于小纳米体积的流体开发理论和模拟技术。 三个独立的，但相互关联的领域正在研究：（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）纳米约束流体中的集体动力学。 这项工作正在与几个实验小组密切合作进行，并对我们理解具有环境和技术重要性的系统产生更广泛的影响，例如超临界流体的行为，这些流体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.