Energetics of Microporous Materials

沸石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。它们由丰富的开放框架结构组成，具有不同的成分和水化程度。作为正在进行的控制沸石合成和反应性的能量驱动力研究的一部分，这项工作使用加州大学戴维斯分校热化学设施的独特量热能力来确定选定的铝硅酸盐沸石及其镓和锗类似物的形成，离子交换和水合作用的能量学。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是另一个研究热点。这种合成是由无机和有机结构导向剂控制的，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理解导致特定结构形成的因素。热化学设施及其多样化的活动（包括参与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了有力、严谨和支持性的教育。

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.