Application of Computational Methods to Pretreatment Processes for Different Biomass Feedstocks

Abstract Lignocellulosic (LC) biomass is a very important source of renewable commodities because of its variety and widespread distribution as well as the infrastructure already available for collection, storage and treatment. Direct use is hampered by the complex chemical structures found in its highly recalcitrant LC matrix and pretreatments are required to gain access to its constituents. Efficient synthetic approaches and viable commercial transformation processes are under development for fuels as well as for new raw materials for the chemical industry. This work surveys recent trends in LC biomass pretreatments and highlights computational methods with potential applications to their optimization as well as the development of process strategies and selection of chemo- and bio-catalyst systems.