Spatially resolved studies of transport and selectivity of chemically reacting flows in topologically distinct microporous frameworks

University Of California-Los Angeles, Los Angeles CA

Investigators

Abstract

With this award, the Chemical Catalysis Program of the Division of Chemistry is funding Professor Louis Bouchard at the University of California, Los Angeles is studying the interplay between molecular transport and reaction selectivity in reactions catalyzed by metal-organic frameworks (MOFs). MOF's are three-dimensional structures built, in a tinker toy-like manner, from metal atoms and organic molecules and are of interest to the chemical industry due to the fact that their structure can be easily varied. Several MOFs have been developed as catalysts, but very little is known about the behavior of MOFs inside catalytic reactors, which are used in the industry to carry out reactions. Research in catalysis leads to many new everyday products, lower production costs and increased accessibility worldwide, all of which are desirable outcomes to society. Better and more efficient catalysis, along with the optimization methods will ultimately lead to a cleaner environment, lower production costs and increased accessibility to the consumer. The project is also integrating research, training and education. Graduate and undergraduate students participating in the research project are learning important research and communication skills, and Professor Bouchard is partnering with a local high school to host these students for research experiences in the laboratory. Professor Bouchard is investigating catalytic reactions from a unique angle: by mapping flow and transport processes occurring inside live reactors and correlating them with the outcomes of the reaction. Thermodynamic fluxes yield an understanding of transport processes in microporous materials, in relation to the catalytic outcome, enabling optimization of reaction parameters and catalyst. Two kinds of reactions are being studied: epoxidations and oligomerizations. Epoxidations are important to the chemical industry, in which epoxides are used as starting materials for the synthesis of polycarbonates. Oligomerizations are important to the petroleum industry, and an important challenge is to maximize selectivity with respect to selected product(s) of the reaction. Professor Bouchard's group found evidence that transport and topology of the framework strongly influence the outcome of such reactions, the details of which are still unclear. A fundamental understanding of the reaction in live reaction settings is therefore needed. In this project microporous catalytic frameworks are being optimized as function of framework topology, size and active centers, with the goal of identifying industrially viable MOF catalysts.