Please use this identifier to cite or link to this item: http://hdl.handle.net/10553/106993
Title: A combined experimental and theoretical study on diglyme + 1-alkanol liquid mixtures
Authors: Trenzado, J. L. 
Rozas, S.
Caro, M. N. 
Atilhan, M.
Aparicio, S.
UNESCO Clasification: 220408 Líquidos
Keywords: Alcohols
Glymes
Hydrogen Bonding
Liquid Mixtures
Molecular Simulation, et al
Issue Date: 2021
Project: RTI2018-101987-B-I00 (Ministerio de Ciencia, Innovación y Universidades )
Journal: Journal of Molecular Liquids 
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.
URI: http://hdl.handle.net/10553/106993
ISSN: 0167-7322
DOI: 10.1016/j.molliq.2021.116048
Source: Journal of Molecular Liquids [ISSN 0167-7322], v. 334, 116048, (Julio 2021)
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