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Towards understanding of delignification of grassy and woody biomass in cholinium-based ionic liquids

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Herein we report the dissolution mechanism of lignin in cholinium-based ionic liquids by molecular dynamics simulations. Multiple hydrogen bonds, longer HB lifetimes, and higher pKa of [Ch][Lys] makes it a… Click to show full abstract

Herein we report the dissolution mechanism of lignin in cholinium-based ionic liquids by molecular dynamics simulations. Multiple hydrogen bonds, longer HB lifetimes, and higher pKa of [Ch][Lys] makes it a better solvent for lignin than acidic ILs.

Keywords: cholinium based; towards understanding; understanding delignification; ionic liquids; based ionic

Journal Title: Green Chemistry
Year Published: 2021

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