Identificador persistente para citar o vincular este elemento: http://hdl.handle.net/10553/41425
Campo DC Valoridioma
dc.contributor.authorGutiérrez, A.en_US
dc.contributor.authorAtilhan, M.en_US
dc.contributor.authorAlcalde, R.en_US
dc.contributor.authorTrenzado, J. L.en_US
dc.contributor.authorAparicio, S.en_US
dc.date.accessioned2018-06-29T08:57:32Z-
dc.date.available2018-06-29T08:57:32Z-
dc.date.issued2018en_US
dc.identifier.issn0167-7322en_US
dc.identifier.urihttp://hdl.handle.net/10553/41425-
dc.description.abstractThe properties of ionic liquid (1-ethyl-3-methylimidazolium BF4and 1-butyl-3-methylimidazolium BF4) + solvents (water, ethylene glycol or dimethylformamide) mixtures are studied in the full composition range as a function of mixture composition and temperature. These mixed fluids are characterized by selected physical properties and microscopic studies using density functional theory and molecular dynamics simulations. The reported results showed large non-ideal mixtures, which are caused by strong anion (BF4) – molecular solvent hydrogen bonding. Likewise, the interaction of ions, evolves from anion-cation pairs solvated by molecular solvents, for mixtures rich in molecular solvent, to large ionic aggregates for ionic liquid rich mixtures separated by a transitional composition regime. The large non-linearity of the evolution of microscopic properties with mixture composition is the origin of macroscopic thermodynamic deviations from ideality.en_US
dc.languageengen_US
dc.relation.ispartofJournal of Molecular Liquidsen_US
dc.sourceJournal of Molecular Liquids [ISSN 0167-7322], v. 255, p. 199-207en_US
dc.subject2204 Física de fluidosen_US
dc.subject.otherIonic liquid mixturesen_US
dc.subject.otherMolecular solventsen_US
dc.subject.otherWateren_US
dc.subject.otherHydrogen bondingen_US
dc.subject.otherSimulationen_US
dc.titleInsights on the mixtures of imidazolium based ionic liquids with molecular solventsen_US
dc.typeinfo:eu-repo/semantics/Articlees
dc.typeArticlees
dc.identifier.doi10.1016/j.molliq.2018.01.167
dc.identifier.scopus85042088191
dc.identifier.isi000428227700021-
dc.contributor.authorscopusid57213042783
dc.contributor.authorscopusid12801317600
dc.contributor.authorscopusid57204665125
dc.contributor.authorscopusid6602495462
dc.contributor.authorscopusid7007112247
dc.description.lastpage207-
dc.description.firstpage199-
dc.relation.volume255-
dc.investigacionCienciasen_US
dc.type2Artículoen_US
dc.contributor.daisngid3696801
dc.contributor.daisngid15751540
dc.contributor.daisngid511369
dc.contributor.daisngid2373764
dc.contributor.daisngid190609
dc.contributor.wosstandardWOS:Gutierrez, A
dc.contributor.wosstandardWOS:Atilhan, M
dc.contributor.wosstandardWOS:Alcalde, R
dc.contributor.wosstandardWOS:Trenzado, JL
dc.contributor.wosstandardWOS:Aparicio, S
dc.date.coverdateAbril 2018
dc.identifier.ulpgces
dc.description.sjr0,862
dc.description.jcr4,561
dc.description.sjrqQ1
dc.description.jcrqQ1
dc.description.scieSCIE
item.grantfulltextnone-
item.fulltextSin texto completo-
crisitem.author.deptGIR Termofísica de Líquidos y Calorimetría-
crisitem.author.deptDepartamento de Física-
crisitem.author.orcid0000-0001-9858-1453-
crisitem.author.parentorgDepartamento de Física-
crisitem.author.fullNameTrenzado Diepa, José Luis-
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