Abstract: Upgrading of furan and small oxygenates obtained from the decomposition of cellulosic materials via formation of carbon-carbon bonds is critical to effective conversion of biomass to liquid transportation fuels. Simulation-driven molecular level understanding of carbon-carbon bond formation is required to design efficient catalysts and processes. Accurate quantum chemical methods are utilized here to predict the reaction energetics for conversion of furan (C4H4O) to C5-C8 ethers and the transformation of furfural (C5H6O2) to C13-C26 alkanes. …
Hydrolysis meets Pyrolysis!
Interesting Furan Chemistry: Vapour phase catalysis for upgrading of furans/furfurals to longer chain hydrocarbons. (also see www.dalinyebo.com/tag/biofuels).
See on pubs.acs.org, via Scoop.it – Furfural and its many By-products...