Towards understanding of delignification of grassy and woody biomass in cholinium-based ionic liquids
Mood Mohan, Hemant Choudhary, Anthe George, Blake A. Simmons, Kenneth L. Sale, John M. Gladden
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 p K a of [Ch][Lys] makes it a better solvent for lignin than acidic ILs.
Topics & Concepts
Ionic liquidLigninDissolutionChemistryBiomass (ecology)SolventHydrogen bondIonic bondingMolecular dynamicsOrganic chemistryCatalysisComputational chemistryMoleculeIonAgronomyBiologyLignin and Wood ChemistryIonic liquids properties and applicationsBiochemical and biochemical processes