dc.contributor.author | Trenzado, José Luis | |
dc.contributor.author | Rozas Azcona, Sara | |
dc.contributor.author | Caro, M.N. | |
dc.contributor.author | Atilhan, Mert | |
dc.contributor.author | Aparicio Martínez, Santiago | |
dc.date.accessioned | 2021-11-18T13:27:01Z | |
dc.date.available | 2021-11-18T13:27:01Z | |
dc.date.issued | 2021-07 | |
dc.identifier.issn | 0167-7322 | |
dc.identifier.uri | http://hdl.handle.net/10259/6179 | |
dc.description.abstract | The 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.sponsorship | Ministerio 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.mimetype | application/pdf | |
dc.language.iso | eng | es |
dc.publisher | Elsevier | es |
dc.relation.ispartof | Journal of Molecular Liquids. 2021, V. 334, 116048 | en |
dc.rights | Attribution-NonCommercial-NoDerivatives 4.0 Internacional | * |
dc.rights.uri | http://creativecommons.org/licenses/by-nc-nd/4.0/ | * |
dc.subject | Liquid mixtures | en |
dc.subject | Glymes | en |
dc.subject | Alcohols | en |
dc.subject | Hydrogen bonding | en |
dc.subject | Thermophysics | en |
dc.subject | Molecular simulation | en |
dc.subject.other | Química física | es |
dc.subject.other | Chemistry, Physical and theoretical | en |
dc.title | A combined experimental and theoretical study on diglyme + 1-alkanol liquid mixtures | en |
dc.type | info:eu-repo/semantics/article | es |
dc.rights.accessRights | info:eu-repo/semantics/openAccess | es |
dc.relation.publisherversion | https://doi.org/10.1016/j.molliq.2021.116048 | es |
dc.identifier.doi | 10.1016/j.molliq.2021.116048 | |
dc.relation.projectID | info: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 METANO | es |
dc.type.hasVersion | info:eu-repo/semantics/publishedVersion | es |
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