RT info:eu-repo/semantics/article T1 A combined experimental and theoretical study on diglyme + 1-alkanol liquid mixtures A1 Trenzado, J.L. . A1 Rozas Azcona, Sara A1 Caro, M.N. A1 Atilhan, Mert . A1 Aparicio Martínez, Santiago K1 Liquid mixtures K1 Glymes K1 Alcohols K1 Hydrogen bonding K1 Thermophysics K1 Molecular simulation K1 Química física K1 Chemistry, Physical and theoretical AB The properties, structuring and intermolecular forces of diglyme + alkanol mixtures are studied using acombined experimental and theoretical approach. The thermophysical properties as well as the molecularsimulation results provide detailed characterization of the mixtures in terms of composition, type of1-alkanol and temperature. The possibility of development of heteroassociations by glyme - alkanolhydrogen bonding as well as their effect on the weakening and breaking on alkanols self-associationshow a pivotal role on the mixtures structure as well as the glyme self-association. The reported mixturesshow complex structural effects varying with mixtures composition which may be considered as modelof ether – hydroxyl interaction and their effects on the mixture’s properties and nature. PB Elsevier SN 0167-7322 YR 2021 FD 2021-07 LK http://hdl.handle.net/10259/6179 UL http://hdl.handle.net/10259/6179 LA eng NO Ministerio de Ciencia, Innovación y Universidades (Spain, project RTI2018-101987-B-I00). We acknowledge SCAYLE (Supercomputación Castilla y León, Spain) for providing supercomputing facilities. DS Repositorio Institucional de la Universidad de Burgos RD 29-mar-2024