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.
Highlights
IntroductionThe knowledge of complex liquid mixtures behavior (intermolecular forces or hydrogen bonding effect) is of special both practical and theoretical interest for several purposes [1,2]
The knowledge of complex liquid mixtures behavior is of special both practical and theoretical interest for several purposes [1,2]
For 1-alkanol rich mixtures the structuring seems dominated by the trend of the 1-alkanol to self-associate, both through hydrogen bonding and stacking of alkyl chains, which leads to larger densities for the larger alkanols, whereas as the 2G content increases the shorter alkanols led to larger densities, which may justified considering that smaller alkanols are able to fit more properly into the mixtures structure dominated by the trend of 2G molecules to self-associate as well as for the larger disrupting effect of 2G on the self-interaction of 1-alkanols
Summary
The knowledge of complex liquid mixtures behavior (intermolecular forces or hydrogen bonding effect) is of special both practical and theoretical interest for several purposes [1,2]. Mixed fluids require a precise combination of macroscopic properties study, based on the nature and extension of the intermolecular interactions, and nanoscopic level characterization for the accurate hydrogen bonding analysis [3]. There is a huge amount of combined solvents which are being considered for industrial processes, for this reason a precise selection and a systematic approach is required to optimize physicochemical properties of complex mixed fluids for industrial purposes. Intermolecular interactions are usually analyzed in complex fluids through physicochemical properties as a function of the composition evolution, pressure or temperature. Macroscopic physicochemical properties of the complex mixed liquids contribute to the under-
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