CAREER: Synthesis and Modeling of Novel Mesoporous Materials

Clemson University, Clemson SC

Investigators

Abstract

This research will focus on developing mesoporous materials that can be used as oxidation catalysts. Semi-rigid organic oligomers will be used as structure-directing agents in the synthesis of novel mesoporous materials. The oligomeric templates can adopt various regular geometries, and the resultant crystalline oxide structures can be analyzed. From these observations a generalized synthesis model that can describe the essential molecular characteristics of a sol-gel template will be developed. The specific molecular interactions affecting sieve formation will be studies using molecular dynamics as well as quantum mechanical techniques. The effects of advanced sol-gel processing techniques, such as microwave heating, supercritical carbon dioxide template extraction, and ultrasonic mixing will also be examined. An educational plan includes the development of an ensemble of teaching devices that will enhance low-level cognitive skills. The development of oxidation catalysts is important, as oxidation processing have become critical reaction steps in the production of pharmaceuticals, aroma chemicals, food additives, polymer precursors, and insecticides. The novel materials molecular modeling, and advanced processing techniques developed could expand the number of highly selective mesoporous catalysts available for the production of specialty chemicals.