Distribution and Dynamic Behavior of Adsorbed Species in Microporous Solids

在这个由化学部实验物理化学项目支持的项目中，Cynthia Jameson将使用129Xe核磁共振光谱、化学位移从头计算和计算机模拟来研究气体与沸石相互作用的动力学。该项目将着眼于表面的基本过程，如吸附和扩散，以获得对有时复杂的表面化学的微观理解。目前的工作将把模拟和实验扩展到更复杂的系统。微孔固体，如沸石，被广泛用于大量的应用，包括多相催化、分离、石油回收和其他工业过程。工业过程涉及到从含有多种组分的气流中吸附，这取决于这些组分通过在催化表面上的竞争性吸附而分离。这个研究项目的结果将有助于理解这些类型的应用系统。

In this project supported by the Experimental Physical Chemistry Program of the Chemistry Division, Cynthia Jameson will study the dynamics of gases interacting with zeolites using 129Xe NMR spectroscopy, ab initio calculations of chemical shifts, and computer simulations. The project will look at elementary processes at surfaces, such as adsorption and diffusion, in order to gain a microscopic understanding of the sometimes complicated surface chemistry. The current effort will extend both simulations and experiments to more complex systems. %%% Microporous solids, such as zeolites, are widely used for a large number of applications, including heterogeneous catalysis, separations, oil recovery, and other industrial processes. Industrial processes which involve adsorption from gas streams with multiple components depend on the separation of these components through competitive adsorption on the catalytic surfaces. The results of this research project will aid in understanding these sorts of applied systems.