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dc.contributor.authorGhazipour, H.
dc.contributor.authorGutiérrez Vega, Alberto 
dc.contributor.authorAlavianmehr, M. M.
dc.contributor.authorHosseini, S. M.
dc.contributor.authorAparicio Martínez, Santiago 
dc.date.accessioned2022-02-01T09:32:50Z
dc.date.available2022-02-01T09:32:50Z
dc.date.issued2022-02
dc.identifier.issn0167-7322
dc.identifier.urihttp://hdl.handle.net/10259/6382
dc.description.abstractBinary liquid mixtures of 1-butyl-3-methylimidazolium glutamate acid ([bmim][glu]) with alkanols (1-propanol, isobutanol and 1,2-propanediol) are studied in the full composition range as a function of temperature using a combined experimental and computational chemistry approach. Experimental thermophysical information as well as derived excess and mixing properties allowed to characterize these complex liquid mixtures in terms of deviation from ideality as well their relationships with the developed intermolecular forces and changes with the type of considered alkanols. Theoretical studies using quantum chemistry and classical molecular dynamics simulations provided nanoscopic characterization on the studied fluids, with particular attention to the extension and nature of hydrogen bonding and its effects on molecular arrangements and mixed fluids’ properties. The reported study provides a micro and macroscopic characterization of the considered aminoacid-based ionic liquid mixtures, thus contributing to the knowledge of sustainable ionic liquid systems mixed with organic solvents for fine tuning properties and developing task specific applications.en
dc.description.sponsorshipShiraz University of Technology and Ministerio de Ciencia, Innovación y Universidades (Spain, project RTI2018-101987-B-I00).en
dc.format.mimetypeapplication/pdf
dc.language.isoenges
dc.publisherElsevieres
dc.relation.ispartofJournal of Molecular Liquids. 2022, V. 347, 117953en
dc.rightsAttribution-NonCommercial-NoDerivatives 4.0 Internacional*
dc.rights.urihttp://creativecommons.org/licenses/by-nc-nd/4.0/*
dc.subjectAminoacid ionic liquiden
dc.subjectAlkanolsen
dc.subjectLiquid mixturesen
dc.subjectHydrogen bondingen
dc.subjectQuantum chemistryen
dc.subjectMolecular dynamicsen
dc.subject.otherQuímica físicaes
dc.subject.otherChemistry, Physical and theoreticalen
dc.titleTuning the properties of ionic liquids by mixing with organic solvents: The case of 1-butyl-3-methylimidazolium glutamate with alkanolsen
dc.typeinfo:eu-repo/semantics/articlees
dc.rights.accessRightsinfo:eu-repo/semantics/openAccesses
dc.relation.publisherversionhttps://doi.org/10.1016/j.molliq.2021.117953es
dc.identifier.doi10.1016/j.molliq.2021.117953
dc.relation.projectIDinfo:eu-repo/grantAgreement/AEI/Plan Estatal de Investigación Científica y Técnica y de Innovación 2017-2020/RTI2018-101987-B-I00/ES/NANOCOMPOSITES POROSOS DE LIQUIDOS IONICOS PARA EL ALMACENAMIENTO DE METANOen
dc.journal.titleJournal of Molecular Liquidsen
dc.volume.number347es
dc.page.initial117953es
dc.type.hasVersioninfo:eu-repo/semantics/publishedVersiones


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