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The Role of Polyfunctionality in the Formation of [Ch]Cl-Carboxylic Acid-Based Deep Eutectic Solvents

2018Journal article Open access
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dc.contributor.authorCrespo, Emanuel A.
dc.contributor.authorSilva, Liliana P.
dc.contributor.authorMartins, Mónia A.R.
dc.contributor.authorBülow, Mark
dc.contributor.authorFerreira, Olga
dc.contributor.authorSadowski, Gabrielle
dc.contributor.authorHeld, Christoph
dc.contributor.authorPinho, Simão
dc.contributor.authorCoutinho, João A.P.
dc.date.accessioned2018-02-19T10:00:00Z
dc.date.accessioned2019-02-04T17:10:53Z
dc.date.available2018-01-19T10:00:00Z
dc.date.available2019-02-04T17:10:53Z
dc.date.issued2018
dc.description.abstractAiming at providing an extensive characterization of the solid−liquid equilibria (SLE) of deep eutectic solvents (DESs), the phase diagrams of nine eutectic mixtures composed of choline chloride ([Ch]Cl) and (poly)carboxylic acids, commonly reported in the literature as DESs, were measured experimentally. Contrarily to the behavior reported for eutectic mixtures composed of [Ch]Cl (hydrogen-bond acceptor, HBA) and monofunctional hydrogen-bond donors (HBD) such as fatty acids and fatty alcohols, which have recently been shown to be almost ideal mixtures, a significant decrease of the melting temperature, at the eutectic point, was observed for most of the systems studied. This melting temperature depression was attributed to a pronounced nonideality of the liquid phase induced by the strong hydrogen-bond interactions between the two mixture components. Perturbed-chain statistical associating fluid theory (PC-SAFT) was used to describe these interactions physically. PC-SAFT allowed accurately modeling the experimental phase diagrams over the entire concentration and temperature ranges. Depending on the kind of mixture, up to two temperature-independent binary interaction parameters between HBA and HBD were applied. The PC-SAFT approach was used to provide trustworthy information on the nonideality of the liquid phase (expressed as the activity coefficients of HBA and HBD) as well as to estimate the eutectic points coordinates. The experimental data along with the modeling results allowed us to infer about the importance of the HBD’s chemical structure on the formation of [Ch]Cl-based DESs.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 “AlProc- 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 and E.A.C acknowledge FCT for the Ph.D. grants SFRH/BD/87084/2012 and SFRH/BD/130870/2017, respectively. FCT is also acknowledged for funding the project DeepBiorefinery (PTDC/AGRTEC/1191/2014). C.H. gratefully acknowledges financial support from the Max-Buchner Research Foundation and from German Science Foundation (DFG), grant HE 7165/7-1.
dc.description.versioninfo:eu-repo/semantics/publishedVersionen_EN
dc.identifier.citationCrespo, Emanuel A.; Silva, Liliana P.; Martins, Mónia A.R.; Bülow, Mark; Ferreira, Olga; Sadowski, Gabrielle; Held, Christoph; Pinho, Simão.; Coutinho, João A.P. (2018). The Role of Polyfunctionality in the Formation of [Ch]Cl-Carboxylic Acid-Based Deep Eutectic Solvents. Industrial and Engineering Chemistry Research. ISSN 0888-5885. 57, p. 11195-11209en_EN
dc.identifier.doi10.1021/acs.iecr.8b01249en_EN
dc.identifier.issn0888-5885
dc.identifier.urihttp://hdl.handle.net/10198/18736
dc.language.isoeng
dc.peerreviewedyesen_EN
dc.relationPARÂMETROS QUÍMICO-FÍSICOS DE TERPENOS E TERPENOIDES PARA APLICAÇÃO EM ESTUDOS DE IMPACTO AMBIENTAL
dc.subjectAlcohols
dc.subjectChlorine compounds
dc.subjectEutectics
dc.subjectFatty acids
dc.subjectHydrogen bonds
dc.titleThe Role of Polyfunctionality in the Formation of [Ch]Cl-Carboxylic Acid-Based Deep Eutectic Solventsen_EN
dc.typejournal article
dspace.entity.typePublication
oaire.awardTitlePARÂMETROS QUÍMICO-FÍSICOS DE TERPENOS E TERPENOIDES PARA APLICAÇÃO EM ESTUDOS DE IMPACTO AMBIENTAL
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.fundingStream5876
oaire.fundingStream5876
person.familyNameFerreira
person.familyNamePinho
person.givenNameOlga
person.givenNameSimão
person.identifier810882
person.identifier.ciencia-id9F1D-C75A-4A54
person.identifier.ciencia-id481D-73AD-8D0F
person.identifier.orcid0000-0001-8414-3479
person.identifier.orcid0000-0002-9211-857X
person.identifier.ridM-4567-2013
person.identifier.ridD-4148-2013
person.identifier.scopus-author-id57203083219
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.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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