Probing molecular interactions in mixed system of green solvent ethyl lactate with oligomers of polyethylene glycol

Abstract

Polyethylene glycol and its oligomers are potential hydrogen bond donors that act as a green, effective, non-toxic, non-corrosive and recyclable molecular component for extractive desulfurization of liquid fuels and variety of other applications. The aim of this investigation is to explore the molecular interactions via variations in viscosity that occur on mixing these glycols with green solvent ethyl lactate. Dynamic viscosities (η) for pure solvents and binary mixtures of ethyl lactate and glycols oligomers (mono/di/tri/tetra-ethylene glycol) were measured at varying temperatures T/(K) = (298.15–313.15; with an interval of 5). Viscosity deviations (Δη) along with excess thermodynamic parameters of activation for viscous flow as Gibbs free energy (ΔG∗E), Enthalpy (ΔH∗E) and Entropy (ΔS∗E) were derived from experimental data. The Δη and ΔG∗E values were further correlated using Redlich-Kister polynomial expression. The experimentally obtained viscosity values were compared with 10 generalised literature models (Arrhenius, Kendall, Kendall-Monroe, Grunberg-Nissan, Hind, Katti-Chaudhri, Heric, McAllister three-body, McAllister four-body and Jouyban-Acree models). The average standard deviation percentages (ASD %) were calculated for all the models to compare the quality of correlation with experimental data. The minimal ASD % for McAllister four-body and Jouyban-Acree models in the working systems indicate that the multiparameter relations have the best capability of reproducing the experimental values. The temperature induced variations were also discussed together with molecular interactions. Further, quantum mechanical density-functional theory and graph theoretical approaches were used to explore the extent of interactions among the components.