2026-05-04T11:08:39Zhttps://riubu.ubu.es/oai/request

oai:riubu.ubu.es:10259/61792024-06-13T08:06:28Zcom_10259_4323com_10259_5086com_10259_2604col_10259_4330

Trenzado, José Luis Rozas Azcona, Sara Caro, M.N. Atilhan, Mert Aparicio Martínez, Santiago 2021-11-18T13:27:01Z 2021-11-18T13:27:01Z 2021-07 0167-7322 http://hdl.handle.net/10259/6179 10.1016/j.molliq.2021.116048 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. Ministerio de Ciencia, Innovación y Universidades (Spain, project RTI2018-101987-B-I00). We acknowledge SCAYLE (Supercomputación Castilla y León, Spain) for providing supercomputing facilities. application/pdf eng Elsevier Journal of Molecular Liquids. 2021, V. 334, 116048 https://doi.org/10.1016/j.molliq.2021.116048 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 Attribution-NonCommercial-NoDerivatives 4.0 Internacional http://creativecommons.org/licenses/by-nc-nd/4.0/ info:eu-repo/semantics/openAccess Liquid mixtures Glymes Alcohols Hydrogen bonding Thermophysics Molecular simulation Química física Chemistry, Physical and theoretical A combined experimental and theoretical study on diglyme + 1-alkanol liquid mixtures info:eu-repo/semantics/article info:eu-repo/semantics/publishedVersion