Modeling Catalysis and Transport in Nanoporous Catalysts

阿默斯特这是授予位于阿默斯特的马萨诸塞州大学的启动补助金 将支持Scott M.奥尔巴赫。 主题 研究的是分子筛中的催化和传输。 本 研究集中在微孔的铝硅酸盐（沸石）上， 以及介孔的那些（例如，MCM-41）。研究 沸石酸质子迁移与烃类化学动力学 在经典反应和量子反应中， 率理论。 化学选择性催化和运输模型为： 调节骨架的静电和空间性质， 补偿离子和山梨酸盐。 还审查了如何衍生 MCM-41对极性和非极性扩散剂有不同的作用。 的 研究模型在捕获和储存碳氟化合物的选择性， 沸石，解决卤素取代基如何影响控制扩散， 微孔 这一研究将促进对微孔材料性能的理解， 以及可用于解决重要技术问题的介孔材料 问题 沸石用于分离化学混合物，如 环境安全的洗涤剂和石油裂化中的催化剂。 介孔分子筛显示出分离生物分子的前景， 用于制备具有大量量子点的光电子材料， 禁闭。

Amherst This starter grant award to the University of Massachusetts at Amherst will support the research of Professor Scott M. Auerbach. The theme of the research is catalysis and transport in molecular sieves. The present studies focus on aluminosilicates that are microporous (zeolites), as well as those that are mesoporous (for example, MCM-41). Study of the chemical dynamics of zeolite acid proton transport and hydrocarbon reactivity is advanced by new methods in classical and quantum reaction rate theory. Chemically selective catalysis and transport is modelled by adjusting the electrostatic and steric properties of the framework, compensating ions, and sorbates. Also examined is how derivatizing MCM-41 can have different effects on polar and nonpolar diffusants. The research models selectivity in trapping and storing fluorocarbons in zeolites, addressing how halogen substituent effects control diffusion in micropores. This research will advance understanding of the properties of microporous and mesoporous materials useful for solving important technological problems. Zeolites are used for separating chemical mixtures, as environmentally safe detergents, and as catalysts in petroleum cracking. Mesoporous sieves show promise for separating biomolecules and may be useful for making optical electronic materials with substantial quantum confinement.