Theoretical and Experimental Studies of Liquid-X Interfaces

Stuart A.大米是由一个赠款， 理论和计算化学计划，继续他的 涉及液-液和液-气界面的研究。 赖斯将用理论和实验相结合的方法来表演 研究：1）几种分子的分子堆积和性质 液支单分子膜的相; 2）a 单层上的结构的相邻区域的 支持液; 3）单分子膜对膜的影响 溶质在相邻区域的分布 支持液体;和4）的结构后果 分离的成分在液体-蒸汽界面的 金属混合物 实验研究将涉及使用 掠入射X射线衍射和傅里叶变换 红外光谱法 模拟将涉及使用 分子动力学和蒙特卡罗技术以及 Car-Parinello理论 %%% 对界面的结构知之甚少 在两个不混溶的相之间。 许多化学和生物 这些现象取决于该界面的性质。 比如说， 长链两亲物和水之间的界面是 细胞壁中的生物膜模型。 赖斯教授结合理论和 最近才出现的实验方法 探索这些相界的详细结构， 影响这种结构的因素。

Professor Stuart A. Rice is supported by a grant from the Theoretical and Computational Chemistry Program to continue his studies involving liquid-liquid, and liquid-vapor interfaces. Rice will use a combination of theory and experiment to perform studies of: 1) the molecular packing and properties of several phases of liquid supported monolayers; 2) the influence of a monolayer on the structure of the adjacent region of the supporting liquid; 3) the influence of the monolayer on the distribution of solutes in the adjacent region of the supporting liquid; and 4) the structural consequences of segregation of the components in a liquid-vapor interface of a metallic mixture. Experimental studies will involve the use of grazing incidence X-ray diffraction and Fourier transform infrared spectroscopy. Simulations will involve the use of Molecular Dynamics and Monte Carlo techniques as well as Car-Parinello theory. %%% Very little is known about the sturcture of the interface between two immiscible phases. Many chemical and biological phenomena depend on the nature of this interface. For example, the interface between long chain amphiphiles and water is a model for biological membranes which occur in the cell wall. Professor Rice is using a combination of theoretical and experimental methods which have only recently become available to explore the detailed structure of these phase boundaries and the factors which influence this structure.