Understanding and Controlling Reactivity of Functionalized Alcohols on Metal Surfaces

University Of Colorado At Boulder, Boulder CO

Investigators

Abstract

In this project funded by the Chemical Catalysis Program, Prof. Will Medlin of the University of Colorado at Boulder will investigate the reactions of functional alcohols on metal surfaces. The objective is to identify methods to design solid catalysts for selective reactions of biomass-derived compounds. Surface spectroscopy will be used in conjunction with quantum chemical modeling to understand how the molecular structure of alcohols controls their reactivity on the surfaces of metals that are commonly used as active components in industrial catalysts. The role of molecular structure will be linked to the influence of pendant functional groups on C-OH bond strength and on the geometry of the chemisorbed alcohol. For the purpose of controlling reaction selectivity, this work will investigate the use of surface modifiers that favor the adsorption of functional alcohols in specific geometries above metal surfaces. As a specific model system of real-world importance, the selective hydrogenolysis of furfuryl alcohol will be used to test the catalyst design principles developed in this project. This research is directed toward making important advances for the conversion of renewable biomass feedstocks to fuels and chemicals. Functional alcohols such as furfuryl alcohol and 5-hydroxymethylfurfural can be produced in large volumes from biomass-derived sugars. Identification of robust solid catalysts that selectively convert these intermediates to desired products is hampered by the complexity of the reagents. By developing fundamental design principles for such catalysts, this work can lead to new, sustainable pathways for production of fuels and useful chemicals. Graduate students will conduct research for the project, and the impact of their research will be extended from ongoing collaborations with researchers at the National Renewable Energy Laboratory. Undergraduate students will also conduct independent research on their own small-scale projects that build on the research of graduate students. Finally, outreach activities oriented toward a general audience will be organized through existing programs in which the principal investigator plays an active or leadership role, including the Renewable Energy Materials Research Science and Engineering Center, the Colorado Center for Biorefining and Biofuels, and the Renewable and Sustainable Energy Institute.