4289136
doi
10.1016/j.ijbiomac.2020.11.139
oai:zenodo.org:4289136
user-innorenew
user-eu
Oihana Gordobil
InnoRenew CoE
René Herrera Diaz
InnoRenew CoE; Chemical and Environmental Engineering Department, University of the Basque Country (UPV/EHU)
Anna Sandak
InnoRenew CoE / University of Primorska, Faculty of Mathematics, Natural Sciences and Information Technologies
Jakub Sandak
InnoRenew CoE & Andrej Marušič Institute, University of Primorska
Fractionation of lignin using organic solvents: A combined experimental and theoretical study
Veerapandian Ponnuchamy
InnoRenew CoE & Andrej Marušič Institute, University of Primorska
info:eu-repo/semantics/openAccess
Creative Commons Attribution 4.0 International
https://creativecommons.org/licenses/by/4.0/legalcode
Hardwood kraft lignin
Fractionation
Chemometrics
Density functional theory
Hydrogen bonds
Noncovalent interactions
<p>Refining of industrial lignin to produce homogeneous fractions is essential for high-value applications. However, the understanding of key interactions between a variety of solvents with lignin polymer is still uncertain. In this work, single-step fractionation of industrial hardwood kraft lignin (HKL) using organic solvents of different polarities – ethanol, acetone, diethyl ether and hexane – was investigated by combining an experimental and theoretical approach. Experimental results revealed that higher polarity solvents (ethanol and acetone) exhibited higher solubility yield compared to moderate and low polarity solvents. The chemical differences between lignin fractions were proven by pyrolysis gas chromatography mass spectrometry and near infrared spectroscopy. Density functional theory (DFT) results indicated that ethanol presented higher interaction energy followed by acetone, diethyl ether and hexane, which was consistent with experimental findings. Hydrogen bond and non-covalent interaction results from DFT demonstrated that the predominant interaction was found for high polarity of ethanol over other solvents and γ-OH in the lignin model is the key site.</p>
Zenodo
2020-11-23
info:eu-repo/semantics/article
4289135
user-innorenew
user-eu
award_title=Renewable materials and healthy environments research and innovation centre of excellence; award_number=739574; award_identifiers_scheme=url; award_identifiers_identifier=https://cordis.europa.eu/projects/739574; funder_id=00k4n6c32; funder_name=European Commission;
1606264036.187276
1713121
md5:d786dfe6eccf12bc4599f014167a1c87
https://zenodo.org/records/4289136/files/1-s2.0-S0141813020350662-main.pdf
public
International Journal of Biological Macromolecules
2020-11-23