Experimental and Theoretical Studies of Catalytic Hydrogenation and Hydrogenolysis Steps to Produce Novel Liquid Fuels from Biomass

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PI: Guliants, VadimProposal Number: 1236210Institution: University of Cincinnati Main CampusTitle: Experimental and Theoretical Studies of Catalytic Hydrogenation and Hydrogenolysis Steps to Produce Novel Liquid Fuels from BiomassThis project seeks to develop new catalytic technologies to produce novel liquid fuels, linear C5-C6 alcohols and ketones, by hydrogenation and hydrogenolysis of biomass-derived 2-methylfuran (2MF) and dimethylfuran (DMF). The project focuses on elucidating the fundamental relationships between the molecular structure and catalytic function of well-defined model Pt and Pd nanoparticles in 2MF and DMF hydrogenation and hydrogenolysis steps to produce linear C5-C6 alcohols and ketones selectively. The research program will address the following fundamental issues: the importance of preferential exposure of specific crystal planes; the roles of crystal size, shape and defects; the nature and number of surface metal sites participating in 2MF and DMF hydrogenation; the influence of the reaction conditions (H2/furan ratio, temperature, pressure); role of catalytic support (e.g., carbon, Al2O3 and SiO2); the impact of equilibria between the ketones and corresponding alcohols on hydrogenation selectivity; the fundamental kinetics and surface reaction mechanism. Additional insights into the mechanism of 2MF and DMF hydrogenation will come from molecular modeling studies employing close-packed (111) and other dominant Pd and Pt surfaces. The molecular structure-reactivity relationships from this research will be used to develop fundamental mechanistic models for 2MF and DMF hydrogenation over metal catalysts, which will assist in the design of improved catalysts, both noble (e.g., Pt, Pd) and base (e.g., Cu, Ni).This research will broadly impact on (1) society at large and (2) recruitment of undergraduate and underrepresented students. Society at large is expected to benefit from this research aimed at replacing nonrenewable, fossil fuels from unstable regions with renewable fuels from US-grown biomass. Recruitment of undergraduate and underrepresented students is an integral part of the proposed effort. Junior and senior students will take special project credits towards their technical elective requirements by performing research in the PI?s laboratory. The PI will continue to recruit women via Women in Science and Engineering Program (WISE) and Rowe Center for Women in Engineering at Cincinnati.