Guanna Li, Emiel J.M. Hensen, Evgeny A. Pidko,
Title book: “Reaction Pathways and Mechanisms in Thermocatalytic Biomass Conversion”; chapter: “Computational Chemistry of Catalytic Biomass Conversion” (Marcel Schlaf and Conrad Zhang as editors. Publisher-Springer)
Volume II presents the latest advances in catalytic hydrodeoxygenation and other transformations of some cellulosic platform chemicals to high value-added products. It presents the theoretical evaluation of the energetics and catalytic species involved in potential pathways of catalyzed carbohydrate conversion, pathways leading to the formation of humin-based by-products, and thermal pathways in deriving chemicals from lignin pyrolysis and hydrodeoxygenation. Catalytic gasification of biomass under extreme thermal conditions as an extension of pyrolysis is also discussed.