Please use this identifier to cite or link to this item: http://hdl.handle.net/10773/28995
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dc.contributor.authorPassos, Helenapt_PT
dc.contributor.authorDinis, Teresa B. V.pt_PT
dc.contributor.authorCláudio, Ana Filipa M.pt_PT
dc.contributor.authorFreire, Mara G.pt_PT
dc.contributor.authorCoutinho, João A. P.pt_PT
dc.date.accessioned2020-08-07T18:40:26Z-
dc.date.available2020-08-07T18:40:26Z-
dc.date.issued2018-05-28-
dc.identifier.issn1463-9076pt_PT
dc.identifier.urihttp://hdl.handle.net/10773/28995-
dc.description.abstractAqueous biphasic systems (ABS) composed of ionic liquids (ILs) and conventional salts have been largely investigated and successfully used in separation processes, for which the determination of the corresponding ternary phase diagrams is a prerequisite. However, due the large number of ILs that can be prepared and their high structural versatility, it is impossible to experimentally cover and characterize all possible combinations of ILs and salts that may form ABS. The development of tools for the prediction and design of IL-based ABS is thus a crucial requirement. Based on a large compilation of experimental data, a correlation describing the formation of IL-based ABS is shown here, based on the hydrogen-bonding interaction energies of ILs (EHB) obtained by the COnductor-like Screening MOdel for Real Solvents (COSMO-RS) and the molar entropy of hydration of the salt ions. The ability of the proposed model to predict the formation of novel IL-based ABS is further ascertained.pt_PT
dc.language.isoengpt_PT
dc.publisherRoyal Society of Chemistrypt_PT
dc.relationinfo:eu-repo/grantAgreement/FCT/5876/147332/PTpt_PT
dc.relationSAICTPAC/0040/2015pt_PT
dc.relationPOCI-01-0145-FEDER-016403pt_PT
dc.relationinfo:eu-repo/grantAgreement/FCT/SFRH/SFRH%2FBD%2F85248%2F2012/PTpt_PT
dc.relationSFRH/BD/130958/2017pt_PT
dc.relationinfo:eu-repo/grantAgreement/EC/FP7/337753/EUpt_PT
dc.rightsrestrictedAccesspt_PT
dc.rights.urihttps://creativecommons.org/licenses/by/4.0/pt_PT
dc.titleHydrogen bond basicity of ionic liquids and molar entropy of hydration of salts as major descriptors in the formation of aqueous biphasic systemspt_PT
dc.typearticlept_PT
dc.description.versionpublishedpt_PT
dc.peerreviewedyespt_PT
degois.publication.firstPage14234pt_PT
degois.publication.issue20pt_PT
degois.publication.lastPage14241pt_PT
degois.publication.titlePhysical Chemistry Chemical Physicspt_PT
dc.identifier.doi10.1039/C8CP01401Apt_PT
dc.identifier.essn1463-9084pt_PT
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