Prediction of solubility parameters of lignin and ionic liquids using multi-resolution simulation approaches-Reference-Cited by-同舟云学术

Prediction of solubility parameters of lignin and ionic liquids using multi-resolution simulation approaches

Published:2022 Issue:3 Volume:24 Page:1165-1176
ISSN:1463-9262
Container-title:Green Chemistry
language:en
Short-container-title:Green Chem.

Author:

Mohan Mood¹²^ORCID,Huang Kaixuan¹³⁴⁵,Pidatala Venkataramana R.¹³,Simmons Blake A.¹³^ORCID,Singh Seema¹²^ORCID,Sale Kenneth L.¹⁶^ORCID,Gladden John M.¹²^ORCID

Affiliation:

1. Deconstruction Division, Joint BioEnergy Institute, 5885 Hollis Street, Emeryville, California 94608, USA

2. Department of Biomaterials and Biomanufacturing, Sandia National Laboratories, 7011 East Avenue, Livermore, California 94551, USA

3. Biological Systems and Engineering Division, Lawrence Berkeley National Laboratory, 1 Cyclotron Road, Berkeley, California 94720, USA

4. Key Laboratory of Forestry Genetics & Biotechnology (Nanjing Forestry University), Ministry of Education, Nanjing 210037, People's Republic of China

5. College of Marine and Bio-engineering, Yancheng Teachers University, Yancheng, Jiangsu 224002, People's Republic of China

6. Department of Computational Biology and Biophysics, Sandia National Laboratories, 7011 East Avenue, Livermore, California 94551, USA

Abstract

Herein, we report the prediction of Hansen solubility parameters of lignin, ILs and DESs using multi-resolution simulation approaches. Solvents with closer solubility parameter values that of lignin are said to be better solvents for lignin removal.

Funder

U.S. Department of Energy

Publisher

Royal Society of Chemistry (RSC)

Subject

Pollution,Environmental Chemistry

Link

http://pubs.rsc.org/en/content/articlepdf/2022/GC/D1GC03798F

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