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Solid-liquid phase equilibrium of trans-cinnamic acid, p-coumaric acid and ferulic acid in water and organic solvents: Experimental and modelling studies

2020Journal article Open access
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dc.contributor.authorVilas-Boas, Sérgio M.
dc.contributor.authorAlves, Rebeca S.
dc.contributor.authorBrandão, Paula
dc.contributor.authorCampos, Leila M.A.
dc.contributor.authorCoutinho, João A.P.
dc.contributor.authorPinho, Simão
dc.contributor.authorFerreira, Olga
dc.date.accessioned2018-02-19T10:00:00Z
dc.date.accessioned2021-02-27T16:11:43Z
dc.date.available2018-01-19T10:00:00Z
dc.date.available2021-02-27T16:11:43Z
dc.date.issued2020
dc.description.abstractThe solubility of the trans isomers of cinnamic acid, p-coumaric acid and ferulic acid was measured in water and seven organic solvents (methanol, ethanol, 1-propanol, 2-propanol, 2-butanone, ethyl acetate and acetonitrile), at 298.2 K and 313.2 K, using the analytical shake-flask technique. The melting temperatures and enthalpies of the solutes were studied by differential scanning calorimetry, while solute solid structures were identified by powder and single X-ray diffraction. The NRTL-SAC model was applied to calculate the solubility of trans-cinnamic acid and trans-ferulic acid in pure solvents. For trans-p-coumaric acid, the NRTL-SAC was combined with the Reference Solvent Approach, as the solute melting properties could not be determined. The global average relative deviations (ARD) were 32% and 41%, in the correlation and prediction stages, respectively. The Abraham solvation model was also applied. The global ARD were 20% for correlation and 29% for predictions, which can be considered very satisfactory results for these semi-predictive models.en_EN
dc.description.sponsorshipThis work was developed within the scope of the project CICECO-Aveiro Institute of Materials, UIDB/50011/2020 & UIDP/ 50011/2020, and CIMO-Mountain Research Center, UIDB/00690/ 2020, both financed by national funds through the Portuguese Foundation for Science and Technology/MCTES. We also acknowledge the support of the projects “AIProcMat@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); and project AllNat - POCI-01-0145-FEDER-030463, funded by the European Regional Development Fund (ERDF) through the Competitiveness and Internationalization Operational Program (COMPETE2020-POCI) and national funding from the Foundation for Science and Technology (FCT, Portugal). S. M. Vilas-Boas thanks the financial support provided by FCT PhD grant (SFRH/BD/138149/ 2018).
dc.description.versioninfo:eu-repo/semantics/publishedVersionen_EN
dc.identifier.citationVilas-Boas, Sérgio M.; Alves, Rebeca S.; Brandão, Paula; Campos, Leila M.A.; Coutinho, João A.P.; Pinho, Simão P.; Ferreira, Olga (2020). Solid-liquid phase equilibrium of trans-cinnamic acid, p-coumaric acid and ferulic acid in water and organic solvents: Experimental and modelling studies. Fluid Phase Equilibria. ISSN 0378-3812. 521, p. 1-10en_EN
dc.identifier.doi10.1016/j.fluid.2020.112747en_EN
dc.identifier.issn03783812
dc.identifier.urihttp://hdl.handle.net/10198/23368
dc.language.isoeng
dc.peerreviewedyesen_EN
dc.relationNORTE-01-0145-FEDER-000006
dc.subjectAbraham solvation modelen_EN
dc.subjectCinnamic acid derivativesen_EN
dc.subjectNRTL-SAC modelen_EN
dc.subjectSolid phase studiesen_EN
dc.subjectSolubilityen_EN
dc.titleSolid-liquid phase equilibrium of trans-cinnamic acid, p-coumaric acid and ferulic acid in water and organic solvents: Experimental and modelling studiesen_EN
dc.typejournal article
dspace.entity.typePublication
person.familyNamePinho
person.familyNameFerreira
person.givenNameSimão
person.givenNameOlga
person.identifier810882
person.identifier.ciencia-id481D-73AD-8D0F
person.identifier.ciencia-id9F1D-C75A-4A54
person.identifier.orcid0000-0002-9211-857X
person.identifier.orcid0000-0001-8414-3479
person.identifier.ridD-4148-2013
person.identifier.ridM-4567-2013
person.identifier.scopus-author-id7003570175
person.identifier.scopus-author-id57203083219
rcaap.rightsopenAccessen_EN
rcaap.typearticleen_EN
relation.isAuthorOfPublication8ef7789a-34f3-4915-a666-4efe26272a30
relation.isAuthorOfPublication59e0c608-0c21-4191-af5e-529d21970399
relation.isAuthorOfPublication.latestForDiscovery59e0c608-0c21-4191-af5e-529d21970399

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