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

John T.作者声明：A.约翰·步行者Weeks（马里兰州大学帕克分校）和布鲁斯J.伯恩（哥伦比亚大学）共同支持研究固体表面液体的结构和动力学性质。该团队将联合收割机结合实验和理论方法，以开发不同类别的液体-二氧化硅界面的行为的准确和定量描述。努力将集中在重要的问题，包括1）之间的固体和液体的界面结构和动力学的相间力的影响; 2）界面结构和动力学的液体结构和连接性的影响; 3）在烷烃，烷烃腈，和芳香族分子之间的界面行为的差异;和4）表面拓扑结构对界面溶剂结构和动力学的影响。该团队将使用各种光谱工具，包括超快光学克尔效应光谱和表面选择性，二阶，非线性光谱来研究固体界面处的液体，并将开发一种混合技术，可以探测界面处液体的取向动力学，同时排除散装液体中分子的任何信号。理论上的努力将集中在开发现实的固体基板模型，确定如何短距离这些基板和相邻的液体之间的相互作用力界面溶剂物种组织在液体/固体界面，以及如何组织影响动力学。一旦得到验证，这些模型将被用于预测界面溶剂动力学，并指导新实验方法的开发。开发固/液界面结构和动力学的详细图像将对化学，物理学，生物学和其他科学的许多领域产生直接影响。 获得的知识将是有用的领域的例子包括腐蚀，骨钙化，润滑，分离和石油回收。 该项目通过化学合作研究计划（CRC）资助，并为本科生，研究生和博士后研究员提供合作培训和研究机会。

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.