Please use this identifier to cite or link to this item: http://hdl.handle.net/10553/33742
DC FieldValueLanguage
dc.contributor.authorCrespo, Emanuel A.en_US
dc.contributor.authorSilva, Liliana P.en_US
dc.contributor.authorMartins, Mónia A. R.en_US
dc.contributor.authorFernández, Luisen_US
dc.contributor.authorOrtega Saavedra, Juanen_US
dc.contributor.authorFerreira, Olgaen_US
dc.contributor.authorSadowski, Gabrielleen_US
dc.contributor.authorHeld, Christophen_US
dc.contributor.authorPinho, Simão P.en_US
dc.contributor.authorCoutinho, João A. P.en_US
dc.date.accessioned2018-03-13T11:08:50Z-
dc.date.available2018-03-13T11:08:50Z-
dc.date.issued2017en_US
dc.identifier.issn0888-5885en_US
dc.identifier.urihttp://hdl.handle.net/10553/35313-
dc.description.abstractThe solid-liquid equilibria phase diagrams of eight eutectic systems formed by choline chloride and fatty acids, or fatty alcohols, were measured to characterize the nonideality of the liquid phase of these systems, commonly reported in the literature as examples of type III deep eutectic solvents (DESs), and to evaluate the best modeling approaches to their description. Most of these systems are shown to present only slight deviations from ideal behavior, resulting from a fine balance of the hydrogen bonding between the hydroxyl/carboxylic groups with the chloride anion and the interactions present in the pure compounds. The phase diagrams measured were modeled with an associative equation of state (EoS) and a g E model. As an EoS, the perturbed-chain statistical associating fluid theory (PC-SAFT) was used, and this model was able to accurately describe the experimental data and to provide reliable estimates of the eutectic points using just a single binary temperature-dependent interaction parameter that often correlates with the acid/alcohol chain length. The performance of PC-SAFT was further compared with the g E model, a non-random two-liquid model (NRTL), and was found to provide a better description of the experimental data, especially for the more nonideal systems. Ultimately, the data gathered, and the molecular modeling, allowed the discussion of the behavior of fatty acids or fatty alcohols as hydrogen bond donors in choline chloride-based DESs.en_US
dc.languageengen_US
dc.relation.ispartofIndustrial & Engineering Chemistry Researchen_US
dc.sourceIndustrial & Engineering Chemistry Research [ISSN 0888-5885], v. 56 (42), p. 12192-12202en_US
dc.subject3303 ingeniería y tecnología químicasen_US
dc.subject331005 Ingeniería de procesosen_US
dc.subject2213 Termodinámicaen_US
dc.subject2204 Física de fluidosen_US
dc.subject.otherAlcoholsen_US
dc.subject.otherChainsen_US
dc.subject.otherChlorine compoundsen_US
dc.subject.otherEquations of stateen_US
dc.subject.otherEutecticsen_US
dc.subject.otherHydrogen bondsen_US
dc.subject.otherLiquidsen_US
dc.subject.otherPhase diagramsen_US
dc.subject.otherPhase equilibriaen_US
dc.subject.otherThermodynamic propertiesen_US
dc.titleCharacterization and modeling of the liquid phase of deep eutectic solvents based on fatty acids/alcohols and choline chlorideen_US
dc.typeinfo:eu-repo/semantics/Articleen_US
dc.typeArticleen_US
dc.identifier.doi10.1021/acs.iecr.7b02382en_US
dc.identifier.scopus85032740325-
dc.identifier.isi000413993000019-
dc.identifier.urlhttp://api.elsevier.com/content/abstract/scopus_id/85032740325-
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dc.contributor.authorscopusid57188962172-
dc.contributor.authorscopusid57193772351-
dc.contributor.authorscopusid56191802400-
dc.contributor.authorscopusid35112937200-
dc.contributor.authorscopusid7402623992-
dc.contributor.authorscopusid7004914794-
dc.contributor.authorscopusid7004410711-
dc.contributor.authorscopusid35558596900-
dc.contributor.authorscopusid7003570175-
dc.contributor.authorscopusid56962705900-
dc.description.lastpage12202en_US
dc.identifier.issue42-
dc.description.firstpage12192en_US
dc.relation.volume56en_US
dc.investigacionIngeniería y Arquitecturaen_US
dc.source.typear-
dc.type2Artículoen_US
dc.identifier.wosWOS:000413993000019-
dc.contributor.daisngid4160279-
dc.contributor.daisngid7284401-
dc.contributor.daisngid3115117-
dc.contributor.daisngid2736231-
dc.contributor.daisngid170099-
dc.contributor.daisngid2685469-
dc.contributor.daisngid105257-
dc.contributor.daisngid203805-
dc.contributor.daisngid710602-
dc.contributor.daisngid30304357-
dc.utils.revisionen_US
dc.contributor.wosstandardWOS:Crespo, EA-
dc.contributor.wosstandardWOS:Silva, LP-
dc.contributor.wosstandardWOS:Martins, MAR-
dc.contributor.wosstandardWOS:Fernandez, L-
dc.contributor.wosstandardWOS:Ortega, J-
dc.contributor.wosstandardWOS:Ferreira, O-
dc.contributor.wosstandardWOS:Sadowski, G-
dc.contributor.wosstandardWOS:Held, C-
dc.contributor.wosstandardWOS:Pinho, SP-
dc.contributor.wosstandardWOS:Coutinho, JAP-
dc.date.coverdateOctubre 2017en_US
dc.identifier.ulpgces
dc.description.sjr0,978
dc.description.jcr3,141
dc.description.sjrqQ1
dc.description.jcrqQ1
dc.description.scieSCIE
item.fulltextSin texto completo-
item.grantfulltextnone-
crisitem.author.deptGIR IDeTIC: División de Ingeniería Térmica e Instrumentación-
crisitem.author.deptIU para el Desarrollo Tecnológico y la Innovación-
crisitem.author.deptDepartamento de Ingeniería de Procesos-
crisitem.author.deptGIR IDeTIC: División de Ingeniería Térmica e Instrumentación-
crisitem.author.deptIU para el Desarrollo Tecnológico y la Innovación-
crisitem.author.deptDepartamento de Ingeniería de Procesos-
crisitem.author.orcid0000-0002-6924-3444-
crisitem.author.orcid0000-0002-8304-2171-
crisitem.author.parentorgIU para el Desarrollo Tecnológico y la Innovación-
crisitem.author.parentorgIU para el Desarrollo Tecnológico y la Innovación-
crisitem.author.fullNameFernández Suárez, Luis Jesús-
crisitem.author.fullNameOrtega Saavedra, Juan-
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