Physicochemical and computational investigations of some food chemicals prevalent in aqueous 1-butyl-1-methyl-pyrrolidinium chloride solutions with the manifestation of solvation consequences

Abstract

An investigation on the diverse molecular interactions between implausible food chemicals (potassium oxalate, sodium oxalate and lithium Oxalate) and 1-butyl-1-methyl-pyrrolidinium chloride in aqueous solutions has been presented. The experiments have been discovered thoroughly by different types of physicochemical methodologies like density, refractive index, viscosity, and electrical conductivity at three different temperatures 298.15 K, 308.15 K and 318.15 K. The genesis of diverse interactions of the ternary mixtures were exposed by measurement of the apparent molar volume (ϕ_v), limiting apparent molar volume (ϕ_v⁰), viscosity B coefficients, molar refraction (R_M), limiting molar refraction (R_M⁰). The results have been revealed the predominant solute–solvent interaction over the solute–solute as well as solvent–solvent interactions. The ionic liquid strongly interacts with potassium oxalate than sodium oxalate, which in turn is greater than lithium oxalate at a higher range of temperature. Moreover Density functional theory calculations were performed to evaluate parameters like adsorption energies, molecular electrostatic potential maps and mode of binding which corroborate the experimental observations.