Theoretical and Experimental Studies of Liquid-X Interfaces

Liquid-X 界面的理论与实验研究

• 批准号: 9220590
• 负责人: Stuart Rice
• 金额: $ 94.66万
• 依托单位: University of Chicago
• 依托单位国家: 美国
• 项目类别: Continuing Grant
• 财政年份: 1993
• 资助国家: 美国
• 起止时间: 1993-01-15 至 1996-06-30
• 项目状态: 已结题
• 来源: https://www.nsf.gov/awardsearch/showAward?AWD_ID=9220590&HistoricalAwards=false
• 关键词: Theoretical; Experimental; Studies; Liquid; Interfaces

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.

斯图尔特·A·赖斯教授得到了理论和计算化学计划的资助，继续他关于液-液和液-气界面的研究。赖斯将用理论和实验相结合的方法研究：1)多相液体支撑单分子膜的分子堆积和性质；2)单分子膜对支撑液相邻区域结构的影响；3)单分子膜对支撑液相邻区域溶质分布的影响；4)金属混合物液-汽界面组分分离的结构后果。实验研究将包括使用掠入射X射线衍射和傅里叶变换红外光谱。模拟将涉及分子动力学和蒙特卡罗技术以及CAR-Parinello理论的使用。%对两个不相容相间的界面结构知之甚少。许多化学和生物现象取决于这种界面的性质。例如，长链两亲分子与水之间的界面是发生在细胞壁中的生物膜的模型。赖斯教授正在使用最近才出现的理论和实验相结合的方法来探索这些相边界的详细结构以及影响这种结构的因素。