Application of computational methods for pretreatment processes of different biomass feedstocks

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 and for new raw materials for the chemical industry. This work surveys recent trends in LC biomass pretreatments and highlights computational methods with potential applications for their optimization, as well as the development of process strategies and selection of chemocatalyst and biocatalyst systems.