Reduction of dependency on fossil fuels, development of cleaner technologies for transportation fuels, energy storage applications are crucial to sustainability and economic growth of our present and future generations. Moving beyond the conventional fossil fuels for transportation needs require a naturally abundant source of carbon and biomass has that potential, where efficient catalysis is required to convert biomass to fuels and industrial chemicals. Accurate molecular level understanding of the chemical transformation of naturally abundant cellulosic materials to platform chemicals is essential to succeed in industrializing these processes and produce sustainable materials for energy1-4. In order to address the design of improved catalysts, understanding of the reaction mechanisms and energetics of dehydration/rehydration, ethanolysis, isomerization, and retro aldol reactions are very important 5-12. In this paper, detailed quantum chemical studies for acid (mineral) catalyzed dehydration/rehydration and Lewis acid-catalyzed isomerization of sugar molecules are presented.

Chemical transformation of biomass to platform chemicals: Quantum chemicals studies

245th National Meeting (2013)

The official archive and repository for all ACS Meetings & Expositions abstracts and select posters or presentations.