Energetics of Microporous Materials

纳夫罗茨基分子筛和其他纳米多孔材料在催化、离子交换、气体分离等技术中具有重要意义。它们由丰富的开放式骨架结构组成，具有不同的组成和水化程度。作为主导沸石合成和反应的能量驱动力正在进行的研究的一部分，这项工作使用加州大学戴维斯分校热化学设施中独特的量热功能来确定选定的铝硅酸盐沸石及其镓和锗类似物的生成、离子交换和水化的能量学。这项工作是通过分子模拟来完成的。沸石合成的原位量热研究形成了另一个研究重点。这种合成既受无机结构导向剂的控制，也受有机结构导向剂的控制，它们在沸石和介孔材料中的能量作用将通过量热法进行研究。这项研究的总体目标是在分子水平上了解导致特定结构形成的因素。热化学设施及其各种活动(包括参加NSF IGERT)为来自不同文化、种族和经济背景的大量学生和博士后提供积极、严格和支持性的教育。

0101391NavrotskyZeolites and other nanoporous materials are of major importance in catalysis, ion exchange, gas separation, and other technologies. They consist of a wealth of open framework structures with varying compositions and degrees of hydration. As Part of an ongoing study of the energetic driving forces which govern zeolite synthesis and reactivity, this work uses unique calorimetric capabilities in the UC Davis Thermochemistry Facility to determine energetics of formation, ion exchange, and hydration in selected aluminosilicate zeolites and their gallium and germanium analogues. This work is completed by molecular modeling. In situ calorimetric studies of zeolite synthesis form another focus of research. Such synthesis is controlled by both inorganic and organic structure directing agents, and their energetic role in both zeolites and mesoporous materials will be investigated by calorimetry. The overall goal of this research is an understanding, at the molecular level, of the factors which cause specific structures to form. The Thermochemistry Facility and its diverse activities (including participation in an NSF IGERT) provide vigorous, rigorous, and supportive education for a large number of students and postdocs from many cultural, ethnic, and economic backgrounds.