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

Mohan, Mood; Choudhary, Hemant; George, Anthe; Simmons, Blake A.; Sale, Kenneth; Gladden, John M.

doi:10.1039/D1GC01622A

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

Journal Article · 15 August 2021 · Green Chemistry

DOI: https://doi.org/10.1039/D1GC01622A · OSTI ID:1811340

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Deconstruction Division, Joint BioEnergy Institute, 5885 Hollis Street, Emeryville, California, 94608, USA, Department of Biomass Science and Conversion Technology, Sandia National Laboratories, 7011 East Avenue, Livermore, California 94551, USA
Deconstruction Division, Joint BioEnergy Institute, 5885 Hollis Street, Emeryville, California, 94608, USA, Biological Systems and Engineering Division, Lawrence Berkeley National Laboratory, 1 Cyclotron Road, Berkeley, California 94720, USA

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.

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Research Organization:: Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)

Sponsoring Organization:: USDOE; USDOE Office of Science (SC), Biological and Environmental Research (BER)

Grant/Contract Number:: AC02-05CH11231

OSTI ID:: 1811340

Journal Information:: Green Chemistry, Journal Name: Green Chemistry Journal Issue: 16 Vol. 23; ISSN GRCHFJ; ISSN 1463-9262

Publisher:: Royal Society of Chemistry (RSC)Copyright Statement

Country of Publication:: United Kingdom

Language:: English

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