Please use this identifier to cite or link to this item: http://hdl.handle.net/10553/75816
DC FieldValueLanguage
dc.contributor.authorTrenzado Diepa, José Luisen_US
dc.contributor.authorRozas, S.en_US
dc.contributor.authorAlcalde, R.en_US
dc.contributor.authorAtilhan, M.en_US
dc.contributor.authorAparicio, S.en_US
dc.date.accessioned2020-11-23T09:40:49Z-
dc.date.available2020-11-23T09:40:49Z-
dc.date.issued2020en_US
dc.identifier.issn0167-7322en_US
dc.identifier.urihttp://hdl.handle.net/10553/75816-
dc.description.abstractThe properties of binary liquidmixtures formed by lactams (2-pyrrolidone or N-methyl-2-pyrrolidone)with 1,2-alkanediols were studied as a function of mixtures composition using a combined experimental and theoretical approach. The experimental properties were analysed in terms of excess and mixing properties, thus inferring deviations from ideality and their relationships with types and extension of hydrogen bonding. The theoretical study using both quantumchemistry and classical molecular dynamics simulations provided a nanoscopic characterization of the mixed fluids and for the intermolecular forces in terms of homo and heteroassociations. The reported results allowed to characterize lactam–containing liquid mixtures inmultiscale approach, thus inferring the properties of these systems and their relationships with their solvency capacity.en_US
dc.languageengen_US
dc.relationBU094G18 (Junta de Castilla y León)en_US
dc.relationRTI2018-101987-B-I00 (Ministerio de Ciencia, Innovación y Universidades)en_US
dc.relation.ispartofJournal of Molecular Liquidsen_US
dc.sourceJournal of Molecular Liquids [ISSN 0167-7322]. n. 302, 112539en_US
dc.subject2210 Química físicaen_US
dc.subject.otherPyrrolidoneen_US
dc.subject.otherAlkanediolsen_US
dc.subject.otherLiquid mixturesen_US
dc.subject.otherHydrogen bondingen_US
dc.subject.otherThermophysicsen_US
dc.subject.otherMolecular modellingen_US
dc.titleIntermolecular forces in pyrrolidones + 1,2-alkanediol liquid mixturesen_US
dc.typeinfo:eu-repo/semantics/articleen_US
dc.typeArticleen_US
dc.identifier.doi10.1016/j.molliq.2020.112539en_US
dc.investigacionCienciasen_US
dc.type2Artículoen_US
dc.description.numberofpages17en_US
dc.utils.revisionen_US
dc.identifier.ulpgcen_US
dc.contributor.buulpgcBU-BASen_US
dc.description.sjr0,929
dc.description.jcr6,165
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-
Appears in Collections:Artículos
Show simple item record

WEB OF SCIENCETM
Citations

2
checked on Nov 24, 2024

Page view(s)

111
checked on Nov 2, 2024

Google ScholarTM

Check

Altmetric


Share



Export metadata



Items in accedaCRIS are protected by copyright, with all rights reserved, unless otherwise indicated.