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Polyol-based deep eutectic solvents: betaine versus choline chloride

2026Artigo científico Acesso aberto
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datacite.subject.fosEngenharia e Tecnologia::Engenharia Química
datacite.subject.fosEngenharia e Tecnologia::Engenharia dos Materiais
datacite.subject.sdg09:Indústria, Inovação e Infraestruturas
datacite.subject.sdg04:Educação de Qualidade
dc.contributor.authorTeixeira, Gabriel
dc.contributor.authorAbranches, Dinis O.
dc.contributor.authorYu, Gangqiang
dc.contributor.authorHeld, Christoph
dc.contributor.authorSantos, Luís M. N. B. F.
dc.contributor.authorFerreira, Olga
dc.contributor.authorCoutinho, João A. P.
dc.date.accessioned2026-06-29T14:54:31Z
dc.date.available2026-06-29T14:54:31Z
dc.date.issued2026
dc.description.abstractThis work investigates the potential of betaine as a substitute for choline chloride in the formation of polyol-based DES. The solid-liquid equilibrium (SLE) phase diagrams of binary mixtures of betaine with one polyol (ethylene glycol, 1,3-propanediol, glycerol, meso-erythritol, xylitol, or sorbitol) were studied across the entire composition range. Experimental measurements of the phase diagrams were limited by the thermal degradation of betaine and by the boiling points or high viscosities of some polyols. Overall, betaine exhibited negative deviations from ideality, while most polyols displayed near-ideal behaviour. COSMO-RS, a thermodynamic model, satisfactorily predicts these deviations from ideality and the observed phase behaviour. Mixtures of betaine and polyols yielded a narrower liquid-phase window for room-temperature applications than the corresponding choline chloride systems. The cross-association of betaine with polyols is more favourable than its self-association, and stronger interactions between the polyols and betaine than with choline chloride are expected, leading to more negative deviations; thus, the smaller melting temperature depression must result from a higher enthalpy of fusion of betaine than that of choline chloride.eng
dc.description.sponsorshipThis work was developed within the scope of the projects CICECO - Aveiro Institute of Materials, UID/50011/2025 (https://doi.org/10.54499/UID/50011/2025) & LA/P/0006/2020 (https://doi.org/10.54499/LA/P/0006/2020); CIMO UID/00690/2025 (https://doi.org/10.54499/UID/00690/2025) e UID/PRR/00690/2025 (https://doi.org/10.54499/UID/PRR/00690/2025); SusTEC, LA/P/0007/2020 (https://doi.org/10.54499/LA/P/0007/2020); CIQUP, Faculty of Science, University of Porto (Project UIDB/00081/2025), and IMS – Institute of Molecular Sciences (https://doi.org/10.54499/LA/P/0056/2020) financed by national funds through the Portuguese Foundation for Science and Technology FCT/MCTES (PIDDAC). G.T. thanks FCT for his PhD grant (UI/BD/151114/2021).
dc.identifier.citationTeixeira, Gabriel; Abrancher, Dinis O.; Yu, Gangqiang; Held, Christoph; Santos, Luis M. N. B. F.; Ferreira, Olga; Coutinho, Joao A. P. (2026). Polyol-based deep eutectic solvents: betaine versus choline chloride. Physical Chemistry Chemical Physics. ISSN 1463-9076. 28:21, p. 13153-13163
dc.identifier.doi10.1039/d6cp00104a
dc.identifier.issn1463-9076
dc.identifier.issn1463-9084
dc.identifier.urihttp://hdl.handle.net/10198/36945
dc.language.isoeng
dc.peerreviewedyes
dc.publisherRoyal Society of Chemistry
dc.relationCICECO-Aveiro Institute of Materials
dc.relationCICECO – Aveiro Institute of Materials
dc.relationCIMO - Mountain Research Center - UID/PRR/00690/2025
dc.relationMountain Research Center - UID/00690/2025
dc.relationAssociate Laboratory for Sustainability and Tecnology in Mountain Regions - LA/P/0007/2020
dc.relationChemistry Research Unit of University of Porto
dc.relationInstitute of Molecular Sciences
dc.relationValleytronics Excitons Qubits
dc.relation.ispartofPhysical Chemistry Chemical Physics
dc.rights.urihttp://creativecommons.org/licenses/by/4.0/
dc.subjectOrganic-compounds
dc.subjectHeat-capacities
dc.subjectThermodynamic properties
dc.subjectMolecular-interactions
dc.subjectCosmo-RS
dc.subject1-3-Propanediol
dc.subjectStability
dc.subjectEntropies
dc.titlePolyol-based deep eutectic solvents: betaine versus choline chlorideeng
dc.typejournal article
dspace.entity.typePublication
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oaire.awardTitleCICECO-Aveiro Institute of Materials
oaire.awardTitleCICECO – Aveiro Institute of Materials
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oaire.awardTitleMountain Research Center - UID/00690/2025
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oaire.citation.endPage13163
oaire.citation.issue21
oaire.citation.startPage13153
oaire.citation.titlePhysical Chemistry Chemical Physics
oaire.citation.volume28
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