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Hydrogen Production from Renewable Alcohols over Pt and Ni Catalysts

Published by the American Society of Agricultural and Biological Engineers, St. Joseph, Michigan

Citation:  2007 ASAE Annual Meeting  076001.(doi:10.13031/2013.23288)
Authors:   Sushil Adhikari, Sandun D Fernando, Agus Haryanto
Keywords:   Activation energy, Binding energy, Methanol, Ni (1 1 1), Pt (1 1 1)

Recently, biomass resources have attracted considerable attention as an energy source because they are renewable and carbon dioxide neutral. Alcohols that are derived from biomass are perceived as an alternative for hydrogen production. Efficient systems of producing hydrogen are greatly desired. Without catalysts, economical production of hydrogen is impossible and the selection of highly active catalyst(s) is vital. Significant work has been done to understand the decomposition of methanol using various metals for hydrogen production. This paper discusses the activity of two catalysts, Ni (1 1 1) and Pt (1 1 1), for hydrogen production from methanol based on the literature. Results are based on density functional theory calculations. Also, our results obtained using DMol3 are discussed. Analysis using DMol3 is on-going and only a part of the results are presented. We are continuing our analysis for glycerin decomposition. Studies have shown that O-H bond scission is a feasible pathway in case of Ni (1 1 1); whereas both O-H and C-H bond scissions are feasible pathways in Pt (1 1 1). Our study also found that activation energy from O-H bond scission is much lower than C-O bond scission.

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