CRC: Molecular-Level Structure and Dynamics at Solid-Liquid Interfaces

点击翻译按钮获取中文摘要

John T. Fourkas, Robert A. Walker, John D. Weeks (University of Maryland College Park) and Bruce J. Berne (Columbia University) are jointly supported to study the structural and dynamic properties of liquids at solid surfaces. The team will combine experimental and theoretical approaches to develop an accurate and quantitative description of the behavior of different classes of liquid-silica interfaces. Efforts will focus on important issues including 1) the effects of inter-phase forces between a solid and a liquid on interfacial structure and dynamics; 2) the effects of liquid structure and connectivity on interfacial structure and dynamics; 3) differences in interfacial behavior among alkanes, alkane nitriles, and aromatic molecules; and 4) the influence of surface topology on interfacial solvent structure and dynamics. The team will use a variety of spectroscopic tools, including ultrafast optical Kerr effect spectroscopy and surface-selective, second-order, nonlinear-optical spectroscopies to study liquids at solid interfaces, and will develop a hybrid of the techniques that can probe the orientational dynamics of liquids at interfaces while excluding any singnal from molecules in the bulk liquid. Theoretical efforts will focus on developing realistic models of the solid substrates, on determining how short-range interactions between these substrates and an adjacent liquid force interfacial solvent species to organize at the liquid/solid interface, and on how this organization influences dynamics. Once validated, the models will be used to predict interfacial solvent dynamics and guide the development of new experimental methods.Developing a detailed picture of structure and dynamics at solid/liquid interfaces will have a direct impact on many areas of chemistry, physics, biology, and other sciences. Examples of areas in which the knowledge gained will be useful include corrosion, bone calcification, lubrication, separations and oil recovery. This project is funded through the Collaborative Research in Chemistry Program (CRC) and provides collaborative training and research opportunities for undergraduates, graduate students, and postdoctoral fellows.