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Design and Characterization of Sugar-Based Deep Eutectic Solvents Using Conductor-like Screening Model for Real Solvents

2018Journal article Open access
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dc.contributor.authorSilva, Liliana P.
dc.contributor.authorFernandez, Luis
dc.contributor.authorConceição, João H.F.
dc.contributor.authorMartins, Mónia A.R.
dc.contributor.authorSosa, Adriel
dc.contributor.authorOrtega, Juan
dc.contributor.authorPinho, Simão
dc.contributor.authorCoutinho, João A.P.
dc.date.accessioned2018-02-19T10:00:00Z
dc.date.accessioned2019-02-04T17:11:35Z
dc.date.available2018-01-19T10:00:00Z
dc.date.available2019-02-04T17:11:35Z
dc.date.issued2018
dc.description.abstractInspired by the lack of characterization of natural eutectic and deep eutectic (DES) systems, we studied the solid-liquid equilibria (SLE) of binary and ternary mixtures involving choline chloride and sugars. The densities, viscosities and solvatochromic parameters for the binary systems containing choline chloride, [Ch]Cl, were measured at the eutectic composition, and the water impact on these properties was also investigated in order to address the tailoring of their properties using water. Mixtures of sugars are shown to present an ideal behavior, while their binary mixtures with choline chloride present negative deviations to the ideality, particularly in the sugar solubility curve. Aiming to develop a predictive model to design new sugar based DES, the [Ch]Cl + sugars phase diagrams were used to tune the COnductor-like Screening MOdel for Real Solvents (COSMO-RS) parameters, which was after applied in the estimation of the eutectic points of new ternary DES. The predictions quality was checked experimentally, proving that COSMO-RS can be a useful tool for the design of deep eutectic solvents.en_EN
dc.description.sponsorshipThis work was developed in the scope of the project CICECO − Aveiro Institute of Materials, POCI-01-0145-FEDER-007679 (ref. FCT UID/CTM/50011/2013) and Associate Laboratory LSRE-LCM, POCI-01-0145-FEDER-006984 (ref. FCT UID/EQU/50020/2013), both financed by national funds through the FCT/MEC and when appropriate cofinanced by FEDER under the PT2020 Partnership Agreement. This work is also a result of project “AIProc-Mat@N2020 - Advanced Industrial Processes and Materials for a Sustainable Northern Region of Portugal 2020”, with the reference NORTE-01-0145-FEDER-000006, supported by Norte Portugal Regional Operational Programme (NORTE 2020), under the Portugal 2020 Partnership Agreement, through the European Regional Development Fund (ERDF). M.A.R.M. acknowledges FCT for her Ph.D. grant (SFRH/BD/ 87084/2012). FCT is also acknowledged for funding the project DeepBiorefinery (PTDC/AGRTEC/1191/2014). J.O. and L.F. thank the financing provided by the Spanish Government, Ministerio de Economia y Competitividad (MINECO), under the project CTQ2012-37114 and the short-stay grant EEBB-I-16-11792.
dc.description.versioninfo:eu-repo/semantics/publishedVersionen_EN
dc.identifier.citationSilva, Liliana P.; Fernandez, Luis; Conceição, João H.F.; Martins, Mónia A.R.; Sosa, Adriel; Ortega, Juan; Pinho, Simão; Coutinho, João A.P. (2018). Design and Characterization of Sugar-Based Deep Eutectic Solvents Using Conductor-like Screening Model for Real Solvents. ACS Sustainable Chemistry and Engineering. ISSN 2168-0485. 6, p. 10724-10734en_EN
dc.identifier.doi10.1021/acssuschemeng.8b02042en_EN
dc.identifier.issn2168-0485
dc.identifier.urihttp://hdl.handle.net/10198/18741
dc.language.isoeng
dc.peerreviewedyesen_EN
dc.relationNatural Deep Eutectic Solvents: A platform to Boost Eucalyptus globulus and Quercus suber cork integrated Biorefineries
dc.relationPARÂMETROS QUÍMICO-FÍSICOS DE TERPENOS E TERPENOIDES PARA APLICAÇÃO EM ESTUDOS DE IMPACTO AMBIENTAL
dc.subjectCholine chlorideen_EN
dc.subjectConductor-like screening model for real solventsen_EN
dc.subjectDensitiesen_EN
dc.subjectEutectic solventsen_EN
dc.subjectSolid-liquid equilibriaen_EN
dc.subjectSolvatochromic parametersen_EN
dc.subjectSugarsen_EN
dc.subjectViscositiesen_EN
dc.titleDesign and Characterization of Sugar-Based Deep Eutectic Solvents Using Conductor-like Screening Model for Real Solventsen_EN
dc.typejournal article
dspace.entity.typePublication
oaire.awardTitleNatural Deep Eutectic Solvents: A platform to Boost Eucalyptus globulus and Quercus suber cork integrated Biorefineries
oaire.awardTitlePARÂMETROS QUÍMICO-FÍSICOS DE TERPENOS E TERPENOIDES PARA APLICAÇÃO EM ESTUDOS DE IMPACTO AMBIENTAL
oaire.awardURIinfo:eu-repo/grantAgreement/FCT/9471 - RIDTI/PTDC%2FAGR-TEC%2F1191%2F2014/PT
oaire.awardURIinfo:eu-repo/grantAgreement/FCT/5876/UID%2FCTM%2F50011%2F2013/PT
oaire.awardURIinfo:eu-repo/grantAgreement/FCT/5876/UID%2FEQU%2F50020%2F2013/PT
oaire.awardURIinfo:eu-repo/grantAgreement/FCT//SFRH%2FBD%2F87084%2F2012/PT
oaire.fundingStream9471 - RIDTI
oaire.fundingStream5876
oaire.fundingStream5876
person.familyNamePinho
person.givenNameSimão
person.identifier810882
person.identifier.ciencia-id481D-73AD-8D0F
person.identifier.orcid0000-0002-9211-857X
person.identifier.ridD-4148-2013
person.identifier.scopus-author-id7003570175
project.funder.identifierhttp://doi.org/10.13039/501100001871
project.funder.identifierhttp://doi.org/10.13039/501100001871
project.funder.identifierhttp://doi.org/10.13039/501100001871
project.funder.identifierhttp://doi.org/10.13039/501100001871
project.funder.nameFundação para a Ciência e a Tecnologia
project.funder.nameFundação para a Ciência e a Tecnologia
project.funder.nameFundação para a Ciência e a Tecnologia
project.funder.nameFundação para a Ciência e a Tecnologia
rcaap.rightsopenAccessen_EN
rcaap.typearticleen_EN
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relation.isAuthorOfPublication.latestForDiscovery8ef7789a-34f3-4915-a666-4efe26272a30
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