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Solubility and solid phase studies of isomeric phenolic acids in pure solvents

2018Journal article Open access
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dc.contributor.authorVilas-Boas, Sérgio M.
dc.contributor.authorBrandão, Paula
dc.contributor.authorMartins, Mónia A.R.
dc.contributor.authorSilva, Liliana P.
dc.contributor.authorSchreiner, Tatiana B.
dc.contributor.authorFernandes, Luciano
dc.contributor.authorFerreira, Olga
dc.contributor.authorPinho, Simão
dc.date.accessioned2018-02-19T10:00:00Z
dc.date.accessioned2019-01-28T11:58:51Z
dc.date.available2018-01-19T10:00:00Z
dc.date.available2019-01-28T11:58:51Z
dc.date.issued2018
dc.description.abstractThe solubilities of gallic, protocatechuic, gentisic or α-resorcylic acids were measured in nine pure solvents (water, methanol, ethanol, 1-propanol, 2-propanol, 2-butanone, ethyl acetate, acetonitrile and dimethylformamide) at 298.15 K and 313.15 K, using the analytical isothermal shake-flask method. Additionally, solid phase studies of the selected phenolic acids were carried out using differential scanning calorimetry (DSC) and X-ray diffraction (XRD), giving access to important data on melting properties as well as on the structure of the solid phase before and after the dissolution. The NRTL-SAC model coupled to the reference solvent approach (RSA) were applied to correlate the solubility data in a set of seven solvents and, after used to predict the solubility in 1-propanol and dimethylformamide. Average relative deviations (ARD) between 28 and 40% for the correlation and between 16 and 59% for the predictions were obtained. These values are within the order of magnitude usually found for such type of semi-predictive models, using a limited set of data.
dc.description.sponsorshipThis work is supported by: Project “AIProcMat@N2020 - Advanced Industrial Processes and Materials for a Sustainable Northern Region of Portugal 2020”, supported by Norte Portugal Regional Operational Programme (NORTE 2020), under the Portugal 2020 Partnership Agreement, through the European Regional Development Fund (ERDF); Project POCI-01-0145-FEDER-006984 – Associate Laboratory LSRE-LCM funded by ERDF through COMPETE2020 - Programa Operacional Competitividade e Internacionalização (POCI); Project POCI-01-0145-FEDER-030463 financed by COMPETE and Portugal2020 and national funds through FCT - Fundação para a Ciência e a Tecnologia . We also acknowledge the support of CICECO – Aveiro Institute of Materials, POCI-01-0145-FEDER-007679 (Ref. FCT UID/CTM/50011/2013 ). Appendix A
dc.description.versioninfo:eu-repo/semantics/publishedVersionen_EN
dc.identifier.citationVilas-Boas, Sérgio M.; Brandão, Paula; Martins, Mónia A.R.; Silva, Liliana P.; Schreiner, Tatiana B.; Fernandes, Luciano; Ferreira, Olga; Pinho, Simão P. (2018). Solubility and solid phase studies of isomeric phenolic acids in pure solvents. Journal of Molecular Liquids. ISSN 0167-7322. 272, p. 1048-1057en_EN
dc.identifier.doi10.1016/j.molliq.2018.10.108en_EN
dc.identifier.issn0167-7322
dc.identifier.urihttp://hdl.handle.net/10198/16168
dc.language.isoeng
dc.peerreviewedyesen_EN
dc.subjectMeltingen_EN
dc.subjectNRTL-SACen_EN
dc.subjectPhenolic acidsen_EN
dc.subjectSolubilityen_EN
dc.subjectX-ray diffractionen_EN
dc.titleSolubility and solid phase studies of isomeric phenolic acids in pure solventsen_EN
dc.typejournal article
dspace.entity.typePublication
oaire.awardURIinfo:eu-repo/grantAgreement/FCT/5876/UID%2FCTM%2F50011%2F2013/PT
oaire.fundingStream5876
person.familyNameSchreiner
person.familyNameFerreira
person.familyNamePinho
person.givenNameTatiana B.
person.givenNameOlga
person.givenNameSimão
person.identifier810882
person.identifier.ciencia-idBA13-066A-678F
person.identifier.ciencia-id9F1D-C75A-4A54
person.identifier.ciencia-id481D-73AD-8D0F
person.identifier.orcid0000-0001-8436-9216
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.nameFundação para a Ciência e a Tecnologia
rcaap.rightsopenAccessen_EN
rcaap.typearticleen_EN
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relation.isAuthorOfPublication59e0c608-0c21-4191-af5e-529d21970399
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