Improving ethylene glycol transport properties by caffeine – Thermodynamic and computational evidence

Abstract In this article, detailed physicochemical characterization of ethylene glycol and caffeine + mixtures is performed based on density, viscosity refractive indices measurements in temperature range from (288.15 to 343.15) K. The apparent molar volume (V?), at infinite dilution (V?o), Masson's experimental slope (Sv), limiting expansibility, (E?o), B-coefficient, thermodynamical parameters viscous flow refractions (Rm) have been evaluated results are additionally proven by molecular dynamic simulations. addition reduces glycol, while molecules high tendency form self-aggregates due weak interactions with glycol. Compared aqueous solution caffeine, characterized significantly lower solvation number more pronounced self-aggregation.