Relationship between lignocellulosic biomass dissolution and physicochemical properties of ionic liquids composed of 3-methylimidazolium cations and carboxylate anions.
Identifieur interne : 000C99 ( Main/Exploration ); précédent : 000C98; suivant : 000D00Relationship between lignocellulosic biomass dissolution and physicochemical properties of ionic liquids composed of 3-methylimidazolium cations and carboxylate anions.
Auteurs : Preenaa Moyer [États-Unis] ; Micholas Dean Smith ; Nourredine Abdoulmoumine ; Stephen C. Chmely ; Jeremy C. Smith ; Loukas Petridis ; Nicole LabbéSource :
- Physical chemistry chemical physics : PCCP [ 1463-9084 ] ; 2018.
Descripteurs français
- KwdFr :
- Anions (composition chimique), Biomasse (MeSH), Cations (composition chimique), Composés allyliques (composition chimique), Imidazoles (composition chimique), Liquides ioniques (composition chimique), Polyosides (composition chimique), Simulation de dynamique moléculaire (MeSH), Solubilité (MeSH), Température (MeSH), Thermogravimétrie (MeSH).
- MESH :
- composition chimique : Anions, Cations, Composés allyliques, Imidazoles, Liquides ioniques, Polyosides.
- Biomasse, Simulation de dynamique moléculaire, Solubilité, Température, Thermogravimétrie.
English descriptors
- KwdEn :
- MESH :
- chemical , chemistry : Allyl Compounds, Anions, Cations, Imidazoles, Ionic Liquids, Polysaccharides.
- Biomass, Molecular Dynamics Simulation, Solubility, Temperature, Thermogravimetry.
Abstract
The ionic liquid (IL) 1-ethyl-3-methylimidazolium acetate ([EMIM]Acetate) has been widely used for biomass processing, i.e., to pretreat, activate, or fractionate lignocellulosic biomass to produce soluble sugars and lignin. However, this IL does not achieve high biomass solubility, therefore minimizing the efficiency of biomass processing. In this study, [EMIM]Acetate and three other ILs composed of different 3-methylimidazolium cations and carboxylate anions ([EMIM]Formate, 1-allyl-3-methylimidazolium ([AMIM]) formate, and [AMIM]Acetate) were analyzed to relate their physicochemical properties to their biomass solubility performance. While all four ILs are able to dissolve hybrid poplar under fairly mild process conditions (80 °C and 100 RPM stirring), [AMIM]Formate and [AMIM]Acetate have particularly increased biomass solubility of 40 and 32%, respectively, relative to [EMIM]Acetate. Molecular dynamics simulations suggest that strong interactions between IL and specific plant biopolymers may contribute to this enhanced solubilization, as the calculated second virial coefficients between ILs and hemicellullose are most favorable for [AMIM]Formate, matching the trend of the experimental solubility measurements. The simulations also reveal that the interactions between the ILs and hemicellulose are an important factor in determining the overall biomass solubility, whereas lignin-IL interactions were not found to vary significantly, consistent with literature. The combined experimental and simulation studies identify [AMIM]Formate as an efficient biomass solvent and explain its efficacy, suggesting a new approach to rationally select ionic liquid solvents for lignocellulosic deconstruction.
DOI: 10.1039/c7cp07195g
PubMed: 29313537
Affiliations:
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Chmely</name></author><author><name sortKey="Smith, Jeremy C" sort="Smith, Jeremy C" uniqKey="Smith J" first="Jeremy C" last="Smith">Jeremy C. Smith</name></author><author><name sortKey="Petridis, Loukas" sort="Petridis, Loukas" uniqKey="Petridis L" first="Loukas" last="Petridis">Loukas Petridis</name></author><author><name sortKey="Labbe, Nicole" sort="Labbe, Nicole" uniqKey="Labbe N" first="Nicole" last="Labbé">Nicole Labbé</name></author></titleStmt><publicationStmt><idno type="wicri:source">PubMed</idno><date when="2018">2018</date><idno type="RBID">pubmed:29313537</idno><idno type="pmid">29313537</idno><idno type="doi">10.1039/c7cp07195g</idno><idno type="wicri:Area/Main/Corpus">001011</idno><idno type="wicri:explorRef" wicri:stream="Main" wicri:step="Corpus" wicri:corpus="PubMed">001011</idno><idno type="wicri:Area/Main/Curation">001011</idno><idno type="wicri:explorRef" wicri:stream="Main" wicri:step="Curation">001011</idno><idno type="wicri:Area/Main/Exploration">001011</idno></publicationStmt><sourceDesc><biblStruct><analytic><title xml:lang="en">Relationship between lignocellulosic biomass dissolution and physicochemical properties of ionic liquids composed of 3-methylimidazolium cations and carboxylate anions.</title><author><name sortKey="Moyer, Preenaa" sort="Moyer, Preenaa" uniqKey="Moyer P" first="Preenaa" last="Moyer">Preenaa Moyer</name><affiliation wicri:level="2"><nlm:affiliation>Center for Renewable Carbon, University of Tennessee, 2506 Jacob Drive, Knoxville, TN 37996-4542, USA. nlabbe@utk.edu.</nlm:affiliation><country xml:lang="fr">États-Unis</country><wicri:regionArea>Center for Renewable Carbon, University of Tennessee, 2506 Jacob Drive, Knoxville, TN 37996-4542</wicri:regionArea><placeName><region type="state">Tennessee</region></placeName></affiliation></author><author><name sortKey="Smith, Micholas Dean" sort="Smith, Micholas Dean" uniqKey="Smith M" first="Micholas Dean" last="Smith">Micholas Dean Smith</name></author><author><name sortKey="Abdoulmoumine, Nourredine" sort="Abdoulmoumine, Nourredine" uniqKey="Abdoulmoumine N" first="Nourredine" last="Abdoulmoumine">Nourredine Abdoulmoumine</name></author><author><name sortKey="Chmely, Stephen C" sort="Chmely, Stephen C" uniqKey="Chmely S" first="Stephen C" last="Chmely">Stephen C. Chmely</name></author><author><name sortKey="Smith, Jeremy C" sort="Smith, Jeremy C" uniqKey="Smith J" first="Jeremy C" last="Smith">Jeremy C. Smith</name></author><author><name sortKey="Petridis, Loukas" sort="Petridis, Loukas" uniqKey="Petridis L" first="Loukas" last="Petridis">Loukas Petridis</name></author><author><name sortKey="Labbe, Nicole" sort="Labbe, Nicole" uniqKey="Labbe N" first="Nicole" last="Labbé">Nicole Labbé</name></author></analytic><series><title level="j">Physical chemistry chemical physics : PCCP</title><idno type="eISSN">1463-9084</idno><imprint><date when="2018" type="published">2018</date></imprint></series></biblStruct></sourceDesc></fileDesc><profileDesc><textClass><keywords scheme="KwdEn" xml:lang="en"><term>Allyl Compounds (chemistry)</term><term>Anions (chemistry)</term><term>Biomass (MeSH)</term><term>Cations (chemistry)</term><term>Imidazoles (chemistry)</term><term>Ionic Liquids (chemistry)</term><term>Molecular Dynamics Simulation (MeSH)</term><term>Polysaccharides (chemistry)</term><term>Solubility (MeSH)</term><term>Temperature (MeSH)</term><term>Thermogravimetry (MeSH)</term></keywords><keywords scheme="KwdFr" xml:lang="fr"><term>Anions (composition chimique)</term><term>Biomasse (MeSH)</term><term>Cations (composition chimique)</term><term>Composés allyliques (composition chimique)</term><term>Imidazoles (composition chimique)</term><term>Liquides ioniques (composition chimique)</term><term>Polyosides (composition chimique)</term><term>Simulation de dynamique moléculaire (MeSH)</term><term>Solubilité (MeSH)</term><term>Température (MeSH)</term><term>Thermogravimétrie (MeSH)</term></keywords><keywords scheme="MESH" type="chemical" qualifier="chemistry" xml:lang="en"><term>Allyl Compounds</term><term>Anions</term><term>Cations</term><term>Imidazoles</term><term>Ionic Liquids</term><term>Polysaccharides</term></keywords><keywords scheme="MESH" qualifier="composition chimique" xml:lang="fr"><term>Anions</term><term>Cations</term><term>Composés allyliques</term><term>Imidazoles</term><term>Liquides ioniques</term><term>Polyosides</term></keywords><keywords scheme="MESH" xml:lang="en"><term>Biomass</term><term>Molecular Dynamics Simulation</term><term>Solubility</term><term>Temperature</term><term>Thermogravimetry</term></keywords><keywords scheme="MESH" xml:lang="fr"><term>Biomasse</term><term>Simulation de dynamique moléculaire</term><term>Solubilité</term><term>Température</term><term>Thermogravimétrie</term></keywords></textClass></profileDesc></teiHeader><front><div type="abstract" xml:lang="en">The ionic liquid (IL) 1-ethyl-3-methylimidazolium acetate ([EMIM]Acetate) has been widely used for biomass processing, i.e., to pretreat, activate, or fractionate lignocellulosic biomass to produce soluble sugars and lignin. However, this IL does not achieve high biomass solubility, therefore minimizing the efficiency of biomass processing. In this study, [EMIM]Acetate and three other ILs composed of different 3-methylimidazolium cations and carboxylate anions ([EMIM]Formate, 1-allyl-3-methylimidazolium ([AMIM]) formate, and [AMIM]Acetate) were analyzed to relate their physicochemical properties to their biomass solubility performance. While all four ILs are able to dissolve hybrid poplar under fairly mild process conditions (80 °C and 100 RPM stirring), [AMIM]Formate and [AMIM]Acetate have particularly increased biomass solubility of 40 and 32%, respectively, relative to [EMIM]Acetate. Molecular dynamics simulations suggest that strong interactions between IL and specific plant biopolymers may contribute to this enhanced solubilization, as the calculated second virial coefficients between ILs and hemicellullose are most favorable for [AMIM]Formate, matching the trend of the experimental solubility measurements. The simulations also reveal that the interactions between the ILs and hemicellulose are an important factor in determining the overall biomass solubility, whereas lignin-IL interactions were not found to vary significantly, consistent with literature. The combined experimental and simulation studies identify [AMIM]Formate as an efficient biomass solvent and explain its efficacy, suggesting a new approach to rationally select ionic liquid solvents for lignocellulosic deconstruction.</div></front></TEI><pubmed><MedlineCitation Status="MEDLINE" Owner="NLM"><PMID Version="1">29313537</PMID><DateCompleted><Year>2018</Year><Month>02</Month><Day>26</Day></DateCompleted><DateRevised><Year>2018</Year><Month>02</Month><Day>26</Day></DateRevised><Article PubModel="Print"><Journal><ISSN IssnType="Electronic">1463-9084</ISSN><JournalIssue CitedMedium="Internet"><Volume>20</Volume><Issue>4</Issue><PubDate><Year>2018</Year><Month>Jan</Month><Day>24</Day></PubDate></JournalIssue><Title>Physical chemistry chemical physics : PCCP</Title><ISOAbbreviation>Phys Chem Chem Phys</ISOAbbreviation></Journal><ArticleTitle>Relationship between lignocellulosic biomass dissolution and physicochemical properties of ionic liquids composed of 3-methylimidazolium cations and carboxylate anions.</ArticleTitle><Pagination><MedlinePgn>2508-2516</MedlinePgn></Pagination><ELocationID EIdType="doi" ValidYN="Y">10.1039/c7cp07195g</ELocationID><Abstract><AbstractText>The ionic liquid (IL) 1-ethyl-3-methylimidazolium acetate ([EMIM]Acetate) has been widely used for biomass processing, i.e., to pretreat, activate, or fractionate lignocellulosic biomass to produce soluble sugars and lignin. However, this IL does not achieve high biomass solubility, therefore minimizing the efficiency of biomass processing. In this study, [EMIM]Acetate and three other ILs composed of different 3-methylimidazolium cations and carboxylate anions ([EMIM]Formate, 1-allyl-3-methylimidazolium ([AMIM]) formate, and [AMIM]Acetate) were analyzed to relate their physicochemical properties to their biomass solubility performance. While all four ILs are able to dissolve hybrid poplar under fairly mild process conditions (80 °C and 100 RPM stirring), [AMIM]Formate and [AMIM]Acetate have particularly increased biomass solubility of 40 and 32%, respectively, relative to [EMIM]Acetate. Molecular dynamics simulations suggest that strong interactions between IL and specific plant biopolymers may contribute to this enhanced solubilization, as the calculated second virial coefficients between ILs and hemicellullose are most favorable for [AMIM]Formate, matching the trend of the experimental solubility measurements. The simulations also reveal that the interactions between the ILs and hemicellulose are an important factor in determining the overall biomass solubility, whereas lignin-IL interactions were not found to vary significantly, consistent with literature. The combined experimental and simulation studies identify [AMIM]Formate as an efficient biomass solvent and explain its efficacy, suggesting a new approach to rationally select ionic liquid solvents for lignocellulosic deconstruction.</AbstractText></Abstract><AuthorList CompleteYN="Y"><Author ValidYN="Y"><LastName>Moyer</LastName><ForeName>Preenaa</ForeName><Initials>P</Initials><Suffix></Suffix><AffiliationInfo><Affiliation>Center for Renewable Carbon, University of Tennessee, 2506 Jacob Drive, Knoxville, TN 37996-4542, USA. nlabbe@utk.edu.</Affiliation></AffiliationInfo></Author><Author ValidYN="Y"><LastName>Smith</LastName><ForeName>Micholas Dean</ForeName><Initials>MD</Initials><Suffix></Suffix></Author><Author ValidYN="Y"><LastName>Abdoulmoumine</LastName><ForeName>Nourredine</ForeName><Initials>N</Initials><Suffix></Suffix></Author><Author ValidYN="Y"><LastName>Chmely</LastName><ForeName>Stephen C</ForeName><Initials>SC</Initials><Suffix></Suffix></Author><Author ValidYN="Y"><LastName>Smith</LastName><ForeName>Jeremy C</ForeName><Initials>JC</Initials><Suffix></Suffix></Author><Author ValidYN="Y"><LastName>Petridis</LastName><ForeName>Loukas</ForeName><Initials>L</Initials><Suffix></Suffix></Author><Author ValidYN="Y"><LastName>Labbé</LastName><ForeName>Nicole</ForeName><Initials>N</Initials><Suffix></Suffix></Author></AuthorList><Language>eng</Language><PublicationTypeList><PublicationType UI="D016428">Journal Article</PublicationType></PublicationTypeList></Article><MedlineJournalInfo><Country>England</Country><MedlineTA>Phys Chem Chem Phys</MedlineTA><NlmUniqueID>100888160</NlmUniqueID><ISSNLinking>1463-9076</ISSNLinking></MedlineJournalInfo><ChemicalList><Chemical><RegistryNumber>0</RegistryNumber><NameOfSubstance UI="C544334">1-allyl-3-methylimidazolium</NameOfSubstance></Chemical><Chemical><RegistryNumber>0</RegistryNumber><NameOfSubstance UI="D000498">Allyl 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Compounds</DescriptorName><QualifierName UI="Q000737" MajorTopicYN="Y">chemistry</QualifierName></MeshHeading><MeshHeading><DescriptorName UI="D000838" MajorTopicYN="N">Anions</DescriptorName><QualifierName UI="Q000737" MajorTopicYN="N">chemistry</QualifierName></MeshHeading><MeshHeading><DescriptorName UI="D018533" MajorTopicYN="N">Biomass</DescriptorName></MeshHeading><MeshHeading><DescriptorName UI="D002412" MajorTopicYN="N">Cations</DescriptorName><QualifierName UI="Q000737" MajorTopicYN="N">chemistry</QualifierName></MeshHeading><MeshHeading><DescriptorName UI="D007093" MajorTopicYN="N">Imidazoles</DescriptorName><QualifierName UI="Q000737" MajorTopicYN="Y">chemistry</QualifierName></MeshHeading><MeshHeading><DescriptorName UI="D052578" MajorTopicYN="N">Ionic Liquids</DescriptorName><QualifierName UI="Q000737" MajorTopicYN="Y">chemistry</QualifierName></MeshHeading><MeshHeading><DescriptorName UI="D056004" MajorTopicYN="N">Molecular Dynamics Simulation</DescriptorName></MeshHeading><MeshHeading><DescriptorName UI="D011134" MajorTopicYN="N">Polysaccharides</DescriptorName><QualifierName UI="Q000737" MajorTopicYN="Y">chemistry</QualifierName></MeshHeading><MeshHeading><DescriptorName UI="D012995" MajorTopicYN="N">Solubility</DescriptorName></MeshHeading><MeshHeading><DescriptorName UI="D013696" MajorTopicYN="N">Temperature</DescriptorName></MeshHeading><MeshHeading><DescriptorName UI="D013818" MajorTopicYN="N">Thermogravimetry</DescriptorName></MeshHeading></MeshHeadingList></MedlineCitation><PubmedData><History><PubMedPubDate PubStatus="pubmed"><Year>2018</Year><Month>1</Month><Day>10</Day><Hour>6</Hour><Minute>0</Minute></PubMedPubDate><PubMedPubDate PubStatus="medline"><Year>2018</Year><Month>2</Month><Day>27</Day><Hour>6</Hour><Minute>0</Minute></PubMedPubDate><PubMedPubDate PubStatus="entrez"><Year>2018</Year><Month>1</Month><Day>10</Day><Hour>6</Hour><Minute>0</Minute></PubMedPubDate></History><PublicationStatus>ppublish</PublicationStatus><ArticleIdList><ArticleId IdType="pubmed">29313537</ArticleId><ArticleId IdType="doi">10.1039/c7cp07195g</ArticleId></ArticleIdList></PubmedData></pubmed><affiliations><list><country><li>États-Unis</li></country><region><li>Tennessee</li></region></list><tree><noCountry><name sortKey="Abdoulmoumine, Nourredine" sort="Abdoulmoumine, Nourredine" uniqKey="Abdoulmoumine N" first="Nourredine" last="Abdoulmoumine">Nourredine Abdoulmoumine</name><name sortKey="Chmely, Stephen C" sort="Chmely, Stephen C" uniqKey="Chmely S" first="Stephen C" last="Chmely">Stephen C. Chmely</name><name sortKey="Labbe, Nicole" sort="Labbe, Nicole" uniqKey="Labbe N" first="Nicole" last="Labbé">Nicole Labbé</name><name sortKey="Petridis, Loukas" sort="Petridis, Loukas" uniqKey="Petridis L" first="Loukas" last="Petridis">Loukas Petridis</name><name sortKey="Smith, Jeremy C" sort="Smith, Jeremy C" uniqKey="Smith J" first="Jeremy C" last="Smith">Jeremy C. Smith</name><name sortKey="Smith, Micholas Dean" sort="Smith, Micholas Dean" uniqKey="Smith M" first="Micholas Dean" last="Smith">Micholas Dean Smith</name></noCountry><country name="États-Unis"><region name="Tennessee"><name sortKey="Moyer, Preenaa" sort="Moyer, Preenaa" uniqKey="Moyer P" first="Preenaa" last="Moyer">Preenaa Moyer</name></region></country></tree></affiliations></record>Pour manipuler ce document sous Unix (Dilib)
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