Lignocellulosic biomass is a promising, plentiful, raw material for the development of biofuels and bioproducts; however, in order to take full advantage this raw material, it is necessary to overcome its natural recalcitrance. In order to provide insight into how to overcome this challenge, we use extensive molecular dynamics simulations to investigate the solvation of lignin and lignocelluose under four organic solvents (tetrahydrofuran-, γ-valerolactone-, ethanol-, and acetone) and their cosolvent mixtures with water. Our results provide a detailed account of the initial breakdown of lignocellulose and the solvation of lignin under these chemical pretreatments.

Study of lignin-lignin and lignin-cellulose interactions in organic solvents and organosolv-water cosolvent environments: Insights into lignocellulose deconstruction

254th National Meeting (2017)

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