Please use this identifier to cite or link to this item: http://hdl.handle.net/10553/35715
DC FieldValueLanguage
dc.contributor.authorAlcalde, Rafaelen_US
dc.contributor.authorGutiérrez, Albertoen_US
dc.contributor.authorAtilhan, Merten_US
dc.contributor.authorTrenzado, José Luisen_US
dc.contributor.authorAparicio, Santiagoen_US
dc.date.accessioned2018-05-03T10:46:43Z-
dc.date.available2018-05-03T10:46:43Z-
dc.date.issued2017en_US
dc.identifier.issn1520-6106en_US
dc.identifier.urihttp://hdl.handle.net/10553/35715-
dc.description.abstractThe binary liquid mixtures of glycol ethers (glymes) + 1-alkanol were characterized from the microscopic and macroscopic viewpoints through a combined experimental and theoretical study. Structuring, dynamics, and intermolecular forces were determined using density functional theory and classical molecular dynamics methods. The macroscopic behavior was studied though the measurement of relevant physicochemical properties and Raman IR studies. The changes in intermolecular forces with mixture composition, temperature, and the effects from the types of glymes as well as 1-alkanols were considered. Hydrogen bonding in the mixed fluids, its changes upon mixing, and mixture composition showed a large effect on fluids' structure and determined most of the fluids' properties together with the presence of hydrophobic domains from long 1-alkanols.en_US
dc.languageengen_US
dc.relation.ispartofJournal of Physical Chemistry Ben_US
dc.sourceJournal of Physical Chemistry B[ISSN 1520-6106],v. 121, p. 5601-5612en_US
dc.subject2204 Física de fluidosen_US
dc.subject.otherMolecular-Dynamics
dc.subject.otherSolvents
dc.subject.otherDensity
dc.subject.other1-Octanol
dc.subject.otherPackage
dc.subject.otherLiquids
dc.titleInsights into glycol ether-alkanol mixtures from a combined experimental and theoretical approachen_US
dc.typeinfo:eu-repo/semantics/Articleen_US
dc.typeinfo:eu-repo/semantics/Articlees
dc.typeArticlees
dc.identifier.doi10.1021/acs.jpcb.7b03598
dc.identifier.scopus85021451417
dc.identifier.isi000403191700015-
dc.contributor.authorscopusid57204665125
dc.contributor.authorscopusid57213042783
dc.contributor.authorscopusid12801317600
dc.contributor.authorscopusid6602495462
dc.contributor.authorscopusid7007112247
dc.description.lastpage5612-
dc.identifier.issue22-
dc.description.firstpage5601-
dc.relation.volume121-
dc.investigacionCienciasen_US
dc.type2Artículoen_US
dc.contributor.daisngid511369
dc.contributor.daisngid3696801
dc.contributor.daisngid15751540
dc.contributor.daisngid26658312
dc.contributor.daisngid190609
dc.contributor.wosstandardWOS:Alcalde, R
dc.contributor.wosstandardWOS:Gutierrez, A
dc.contributor.wosstandardWOS:Atilhan, M
dc.contributor.wosstandardWOS:Trenzada, JL
dc.contributor.wosstandardWOS:Aparicio, S
dc.date.coverdateJunio 2017
item.fulltextSin texto completo-
item.grantfulltextnone-
crisitem.author.deptDepartamento de Física-
crisitem.author.deptTermofísica de Líquidos y Calorimetría-
crisitem.author.parentorgDepartamento de Física-
crisitem.author.fullNameTrenzado Diepa, José Luis-
crisitem.author.departamentoFísica-
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