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Exploring the role of temperature on hydrotropy

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datacite.subject.fosCiências Agrárias::Agricultura, Silvicultura e Pescas
datacite.subject.sdg15:Proteger a Vida Terrestre
dc.contributor.authorAbranches, Dinis O.
dc.contributor.authorSoares, Bruna P.
dc.contributor.authorCordova, Isabella Weber
dc.contributor.authorBenfica, Jordana
dc.contributor.authorFerreira, Olga
dc.contributor.authorPinho, Simão
dc.contributor.authorCoutinho, João A.P.
dc.date.accessioned2025-06-02T14:03:41Z
dc.date.available2025-06-02T14:03:41Z
dc.date.issued2025
dc.description.abstractAqueous solubility can be enhanced through hydrotropy, where an amphiphilic molecule (the hydrotrope) ag-gregates around the solute, boosting its solubility. To understand the impact of temperature on this phenomenon, the solubility of syringic acid was measured in aqueous solutions of different bio-based hydrotropes. Solubility curves were modelled using Gaussian processes, a powerful class of machine learning interpolators. This allowed for a thermodynamic analysis of excess solvation properties that was complemented using the COSMO-RS model. As expected, the absolute solubility of syringic acid increased with temperature. However, at low hydrotrope concentrations, this increase was not driven by interactions in the liquid phase. Thus, the solubility enhancement of syringic acid was found to be independent of temperature. Conversely, at high hydrotrope concentrations, increasing the temperature significantly decreased the solubility enhancement of the solute. These effects were interpreted considering different solubilization mechanisms, namely hydrotropy (low hydrotrope concentrations) and co-solvency (high hydrotrope concentrations).eng
dc.description.sponsorshipThis work was developed within the scope of the project CICECO-Aveiro Institute of Materials, UIDB/50011/2020 (DOI 10.54499/UIDB/50011/2020), UIDP/50011/2020 (DOI 10.54499/UIDP/50011/2020) & LA/P/0006/2020 (DOI 10.54499/LA/P/0006/2020), and. CIMO-Centro de Investigação de Montanha, UIDB/00690/2020 (DOI: 10.54499/UIDB/00690/2020), UIDP/00690/2020 (DOI: 10.54499/ UIDP/00690/2020); and SusTEC, LA/P/0007/2020 (DOI: 10.54499/LA/P/0007/2020), all financed by national funds through the FCT/MCTES (PIDDAC).
dc.identifier.citationAbranches, Dinis O.; Soares, Bruna P.; Cordova, Isabella Weber; Benfica, Jordana; Ferreira, Olga; Pinho, Simão; Coutinho, João A.P. (2025). Exploring the role of temperature on hydrotropy. Chemical Engineering Science. ISSN 0009-2509. 313, p. 1-10
dc.identifier.doi10.1016/j.ces.2025.121759
dc.identifier.issn0009-2509
dc.identifier.urihttp://hdl.handle.net/10198/34541
dc.language.isoeng
dc.peerreviewedyes
dc.publisherElsevier
dc.relationCICECO-Aveiro Institute of Materials
dc.relationCICECO-Aveiro Institute of Materials
dc.relationCICECO – Aveiro Institute of Materials
dc.relationMountain Research Center
dc.relationMountain Research Center
dc.relationAssociate Laboratory for Sustainability and Tecnology in Mountain Regions
dc.relation.ispartofChemical Engineering Science
dc.rights.urihttp://creativecommons.org/licenses/by/4.0/
dc.subjectGreen Chemistry
dc.subjectSolvation
dc.subjectHydrotropes
dc.subjectHydrophobic Effect
dc.subjectThermodynamics
dc.subjectMachine Learning
dc.titleExploring the role of temperature on hydrotropyeng
dc.typejournal article
dspace.entity.typePublication
oaire.awardTitleCICECO-Aveiro Institute of Materials
oaire.awardTitleCICECO-Aveiro Institute of Materials
oaire.awardTitleCICECO – Aveiro Institute of Materials
oaire.awardTitleMountain Research Center
oaire.awardTitleMountain Research Center
oaire.awardTitleAssociate Laboratory for Sustainability and Tecnology in Mountain Regions
oaire.awardURIinfo:eu-repo/grantAgreement/FCT/6817 - DCRRNI ID/UIDB%2F50011%2F2020/PT
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oaire.awardURIinfo:eu-repo/grantAgreement/FCT/6817 - DCRRNI ID/UIDB%2F00690%2F2020/PT
oaire.awardURIinfo:eu-repo/grantAgreement/FCT/6817 - DCRRNI ID/UIDP%2F00690%2F2020/PT
oaire.awardURIinfo:eu-repo/grantAgreement/FCT/6817 - DCRRNI ID/LA%2FP%2F0007%2F2020/PT
oaire.citation.endPage10
oaire.citation.startPage1
oaire.citation.titleChemical Engineering Science
oaire.citation.volume313
oaire.fundingStream6817 - DCRRNI ID
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oaire.fundingStream6817 - DCRRNI ID
oaire.fundingStream6817 - DCRRNI ID
oaire.fundingStream6817 - DCRRNI ID
oaire.fundingStream6817 - DCRRNI ID
oaire.versionhttp://purl.org/coar/version/c_970fb48d4fbd8a85
person.familyNameCordova
person.familyNameFerreira
person.familyNamePinho
person.givenNameIsabella Weber
person.givenNameOlga
person.givenNameSimão
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person.identifier.orcid0000-0003-0753-8930
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person.identifier.ridM-4567-2013
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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
project.funder.nameFundação para a Ciência e a Tecnologia
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