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Solvent and temperature effects on the solubility of syringic, vanillic or veratric acids: Experimental, modeling and solid phase studies

2019Journal article Open access
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dc.contributor.authorVilas-Boas, Sérgio M.
dc.contributor.authorVieira, Vanessa
dc.contributor.authorBrandão, Paula
dc.contributor.authorAlves, Rebeca S.
dc.contributor.authorCoutinho, João A.P.
dc.contributor.authorPinho, Simão
dc.contributor.authorFerreira, Olga
dc.date.accessioned2018-02-19T10:00:00Z
dc.date.accessioned2020-01-06T14:09:56Z
dc.date.available2018-01-19T10:00:00Z
dc.date.available2020-01-06T14:09:56Z
dc.date.issued2019
dc.description.abstractThe solubility of syringic acid, vanillic acid and veratric acid was measured in pure water and eleven organic solvents (methanol, ethanol, 1-propanol, 2-propanol, 2-butanone, ethyl acetate, acetonitrile, dimethylformamide, 1,2-propanediol, 1,3-propanediol and 1,3-butanediol), at 298.2 K and 313.2 K. Besides the solubility data, the melting temperatures and enthalpies of the solutes were determined by differential scanning calorimetry, while powder and single X-ray diffractionwere used to resolve the solute solid structure, before and after the solubility studies. Formodeling purposes, theNRTL-SACmodel, also combinedwith the Reference Solvent Approach (RSA), and the Abraham solvation model were applied to describe the solid-liquid equilibria of the binary systems. A set of solvents was used to estimate the model parameters and afterwards, solubility predictions were carried out for binary systems not included in the correlation step. Better results were obtained using the Abraham solvation model with average relative deviations (ARD) of 15% for the correlation set and 26% for the predictions, which are more satisfactory than the results found with the NRTL-SAC model (33% for the correlation and 59% for the predictions) or the NRTL-SAC model combined with RSA (30% for the correlation and 59% for the predictions).
dc.description.sponsorshipWe acknowledge the support of the project “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); Associate Laboratory LSRE-LCM - UID/EQU/50020/2019 - funded by national funds through FCT/MCTES (PIDDAC); UID/CTM/50011/2019 (CICECO), financed by national funds through the FCT/MCTES; and project AllNat - POCI-01- 0145-FEDER-030463 (PTDC/EQU-EPQ/30463/2017), financed by FEDER funds through COMPETE and Portugal2020 and national funds through FCT - Fundação para a Ciência e a Tecnologia. The authors also thank FCT for financial support to S. M. Vilas-Boas grant (SFRH/BD/138149/2018) and V. Vieira grant (SFRH/BD/108487/ 2015).
dc.description.versioninfo:eu-repo/semantics/publishedVersionen_EN
dc.identifier.citationVilas-Boas, Sérgio M.; Vieira, Vanessa; Brandão, Paula; Alves, Rebeca S.; Coutinho, João A.P.; Pinho, Simão P.; Ferreira, Olga (2019). Solvent and temperature effects on the solubility of syringic, vanillic or veratric acids: Experimental, modeling and solid phase studies. Journal of Molecular Liquids. ISSN 0167-7322. 289, p. 1-10en_EN
dc.identifier.doi10.1016/j.molliq.2019.111089en_EN
dc.identifier.issn0167-7322
dc.identifier.urihttp://hdl.handle.net/10198/20255
dc.language.isoeng
dc.peerreviewedyesen_EN
dc.subjectAbraham solvation modelen_EN
dc.subjectMelting propertiesen_EN
dc.subjectNRTL-SACen_EN
dc.subjectPhenolic acidsen_EN
dc.subjectX-ray diffractionen_EN
dc.titleSolvent and temperature effects on the solubility of syringic, vanillic or veratric acids: Experimental, modeling and solid phase 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.latestForDiscovery8ef7789a-34f3-4915-a666-4efe26272a30

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