Experimental Studies of the Dynamic Structure of Liquids

Jiri Jonas得到了理论和计算科学基金会的资助。 化学计划继续他的研究在实验研究的 利用核磁共振和激光拉曼光谱学研究液体的动态结构。 的 这项研究的主要目的是研究高压下的液体， 封闭区域。 高压下液体的高分辨率NMR是 用来区分密度和温度对 动态过程，如自扩散和剪切粘度。 最近 溶胶-凝胶法制备多孔硅玻璃的研究 已经导致了对受限于液体的NMR和拉曼光谱的研究， 具有从10 A到200 A的良好限定的孔径的玻璃。 主要 研究方向包括：1）核磁共振研究 流体动力学Stokes-Einstein方程和Debye方程的适用性 液体在玻璃化转变温度附近的分子水平; 2)核磁共振实验研究角动量的约束效应 在液体中的构象异构化行为; 3）NMR研究 限制液体; 4）振动限制效应的拉曼研究 和液体中的再取向弛豫;和5） 压力对酰胺水溶液中氢交换的影响， 聚酰胺。 在原子和分子水平上获得了关于液体的新信息 在高压下对液体的核磁共振研究将有助于 了解润滑剂的功能。 液体的研究 受限几何在许多领域都有技术应用 包括催化、色谱、膜分离和液相 地质构造的渗透性。

Jiri Jonas is supported by a grant from The Theoretical and Computational Chemistry Program to continue his research in experimental studies of the dynamic structure of liquids using NMR and laser Raman spectroscopy. The major thrust of the research is to study liquids at high pressures and in confined regions. High resolution NMR of liquids under high pressures is being used to separate the effects of density and temperature on dynamical processes such as self-diffusion and shear viscosities. Recent work on the preparation of porous silica glasses by sol-gel processes have led to studies of both NMR and Raman spectra of liquids confined in glasses with well defined pore sizes from 10 A to 200 A. The main research directions to be explored include: 1) NMR studies of the applicability of the hydrodynamic Stokes-Einstein and Debye equations at the molecular level in liquids near their glass transition temperature; 2) NMR experiments dealing with confinement effects on angular momentum behavior in liquids; 3) NMR study of conformational isomerization in confined liquids; 4) Raman studies of confinement effects on vibrational and reorientational relaxation in liquids; and 5) NMR study of the pressure effects on hydrogen exchange in aqueous solutions of amides and polyamides. New information on liquids at the atomic and molecular level obtained through NMR studies of liquids at high pressure will help in understanding the function of lubricants. The studies of liquids in confined geometries has technological applications in many fields including catalysis, chromatography, membrane separations, and liquid permeability in geological formations.