Liquid Metal-X Interfaces

芝加哥大学的Stuart Rice是由理论与计算化学项目资助的，他研究纯金属、合金和其他凝聚态物质之间的界面，采用实验和理论相结合的方法。这些研究主要针对液体和蒸汽、液体和固体之间的界面，以及液体和液体表面上的吸附质的界面。实验研究将使用掠入射x射线衍射、掠入射微分异常x射线衍射、x射线反射率、x射线反射率精细结构和表面敏感EXAFS测量。理论研究将采用自洽量子蒙特卡罗模拟。对合金液-气界面的纵向和横向结构进行了研究，并着重研究了异价合金。本文将研究纯金属和合金液固界面的纵向和横向结构，以研究固体场对界面处液体结构的影响。界面的变化将作为合金成分和温度的函数进行研究。对于两个不混相之间的界面结构所知甚少。许多化学现象取决于这个界面的性质。Rice教授正在使用理论和实验相结合的方法来探索这些相边界的详细结构和影响这种结构的因素。

Stuart Rice of the University of Chicago is funded by the Theoretical and Computational Chemistry Program for a combined experimental and theoretical approach to study the interfaces between pure metals and alloys and other species of condensed matter. The studies are directed primarily at interfaces between liquid and vapor, liquid and solid, and between liquid and an adsorbate on the liquid surface. The experimental studies will use grazing incidence x-ray diffraction, grazing incidence differential anomalous x-ray diffraction, x-ray reflectivity, x-ray reflectivity fine structure and surface sensitive EXAFS measurements. The theoretical studies will employ self-consistent quantum Monte Carlo simulations. The longitudinal and transverse structure in the liquid-vapor interface of alloys will be studied with particular attention to the heterovalent alloys. The longitudinal and transverse structure in the liquid-solid interfaces of pure metals and alloys will be examined for the influence of the field of the solid on the structure of the liquid at the interface. The variation of the interface will be studied as a function of the alloy composition and temperature.Very little is known about the structure of the interface between two immiscible phases. Many chemical phenomena depend on the nature of this interface. 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.