Journal article Open Access

Fractionation of lignin using organic solvents: A combined experimental and theoretical study

Veerapandian Ponnuchamy; Oihana Gordobil; René Herrera Diaz; Anna Sandak; Jakub Sandak


DataCite XML Export

<?xml version='1.0' encoding='utf-8'?>
<resource xmlns:xsi="http://www.w3.org/2001/XMLSchema-instance" xmlns="http://datacite.org/schema/kernel-4" xsi:schemaLocation="http://datacite.org/schema/kernel-4 http://schema.datacite.org/meta/kernel-4.1/metadata.xsd">
  <identifier identifierType="URL">https://zenodo.org/record/4289136</identifier>
  <creators>
    <creator>
      <creatorName>Veerapandian Ponnuchamy</creatorName>
      <affiliation>InnoRenew CoE &amp; Andrej Marušič Institute, University of Primorska</affiliation>
    </creator>
    <creator>
      <creatorName>Oihana Gordobil</creatorName>
      <affiliation>InnoRenew CoE</affiliation>
    </creator>
    <creator>
      <creatorName>René Herrera Diaz</creatorName>
      <affiliation>InnoRenew CoE; Chemical and Environmental Engineering Department, University of the Basque Country (UPV/EHU)</affiliation>
    </creator>
    <creator>
      <creatorName>Anna Sandak</creatorName>
      <affiliation>InnoRenew CoE / University of Primorska, Faculty of Mathematics, Natural Sciences and Information Technologies</affiliation>
    </creator>
    <creator>
      <creatorName>Jakub Sandak</creatorName>
      <affiliation>InnoRenew CoE &amp; Andrej Marušič Institute, University of Primorska</affiliation>
    </creator>
  </creators>
  <titles>
    <title>Fractionation of lignin using organic solvents: A combined experimental and theoretical study</title>
  </titles>
  <publisher>Zenodo</publisher>
  <publicationYear>2020</publicationYear>
  <subjects>
    <subject>Hardwood kraft lignin</subject>
    <subject>Fractionation</subject>
    <subject>Chemometrics</subject>
    <subject>Density functional theory</subject>
    <subject>Hydrogen bonds</subject>
    <subject>Noncovalent interactions</subject>
  </subjects>
  <dates>
    <date dateType="Issued">2020-11-23</date>
  </dates>
  <resourceType resourceTypeGeneral="JournalArticle"/>
  <alternateIdentifiers>
    <alternateIdentifier alternateIdentifierType="issn">0141-8130</alternateIdentifier>
    <alternateIdentifier alternateIdentifierType="url">https://zenodo.org/record/4289136</alternateIdentifier>
  </alternateIdentifiers>
  <relatedIdentifiers>
    <relatedIdentifier relatedIdentifierType="DOI" relationType="IsIdenticalTo">10.1016/j.ijbiomac.2020.11.139</relatedIdentifier>
    <relatedIdentifier relatedIdentifierType="URL" relationType="IsPartOf">https://zenodo.org/communities/innorenew</relatedIdentifier>
  </relatedIdentifiers>
  <rightsList>
    <rights rightsURI="https://creativecommons.org/licenses/by/4.0/legalcode">Creative Commons Attribution 4.0 International</rights>
    <rights rightsURI="info:eu-repo/semantics/openAccess">Open Access</rights>
  </rightsList>
  <descriptions>
    <description descriptionType="Abstract">&lt;p&gt;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 &amp;ndash; ethanol, acetone, diethyl ether and hexane &amp;ndash; 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 &amp;gamma;-OH in the lignin model is the key site.&lt;/p&gt;</description>
  </descriptions>
  <fundingReferences>
    <fundingReference>
      <funderName>European Commission</funderName>
      <funderIdentifier funderIdentifierType="Crossref Funder ID">10.13039/501100000780</funderIdentifier>
      <awardNumber awardURI="info:eu-repo/grantAgreement/EC/H2020/739574/">739574</awardNumber>
      <awardTitle>Renewable materials and healthy environments research and innovation centre of excellence</awardTitle>
    </fundingReference>
  </fundingReferences>
</resource>
81
62
views
downloads
Views 81
Downloads 62
Data volume 106.2 MB
Unique views 79
Unique downloads 62

Share

Cite as