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dc.contributor.authorTrenzado, J.L. .
dc.contributor.authorRozas Azcona, Sara
dc.contributor.authorCaro, M.N.
dc.contributor.authorAtilhan, Mert .
dc.contributor.authorAparicio Martínez, Santiago 
dc.date.accessioned2021-11-18T13:27:01Z
dc.date.available2021-11-18T13:27:01Z
dc.date.issued2021-07
dc.identifier.issn0167-7322
dc.identifier.urihttp://hdl.handle.net/10259/6179
dc.description.abstractThe properties, structuring and intermolecular forces of diglyme + alkanol mixtures are studied using a combined experimental and theoretical approach. The thermophysical properties as well as the molecular simulation results provide detailed characterization of the mixtures in terms of composition, type of 1-alkanol and temperature. The possibility of development of heteroassociations by glyme - alkanol hydrogen bonding as well as their effect on the weakening and breaking on alkanols self-association show a pivotal role on the mixtures structure as well as the glyme self-association. The reported mixtures show complex structural effects varying with mixtures composition which may be considered as model of ether – hydroxyl interaction and their effects on the mixture’s properties and nature.en
dc.description.sponsorshipMinisterio de Ciencia, Innovación y Universidades (Spain, project RTI2018-101987-B-I00). We acknowledge SCAYLE (Supercomputación Castilla y León, Spain) for providing supercomputing facilities.en
dc.format.mimetypeapplication/pdf
dc.language.isoenges
dc.publisherElsevieres
dc.relation.ispartofJournal of Molecular Liquids. 2021, V. 334, 116048en
dc.rightsAttribution-NonCommercial-NoDerivatives 4.0 Internacional*
dc.rights.urihttp://creativecommons.org/licenses/by-nc-nd/4.0/*
dc.subjectLiquid mixturesen
dc.subjectGlymesen
dc.subjectAlcoholsen
dc.subjectHydrogen bondingen
dc.subjectThermophysicsen
dc.subjectMolecular simulationen
dc.subject.otherQuímica físicaes
dc.subject.otherChemistry, Physical and theoreticalen
dc.titleA combined experimental and theoretical study on diglyme + 1-alkanol liquid mixturesen
dc.typeinfo:eu-repo/semantics/articlees
dc.rights.accessRightsinfo:eu-repo/semantics/openAccesses
dc.relation.publisherversionhttps://doi.org/10.1016/j.molliq.2021.116048es
dc.identifier.doi10.1016/j.molliq.2021.116048
dc.type.hasVersioninfo:eu-repo/semantics/publishedVersiones


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