Effect of aqueous solutions of KCl, MgCl2, Dextrose and Urea on solvation behavior of aqueous myo-Inositol

Abstract

Owing to the indispensable role of myo-Inositol (MI), a cyclic polyol, in biological, pharmaceutical and food industries, in this investigation, we herewith report the systematic data of densities (ρ) and speed of sound (u) of MI in water, aqueous electrolytic (0.06 mol∙kg−1 KCl/MgCl2) and non-electrolytic (0.06 mol∙kg−1 Dextrose/Urea) solutions at seven different temperatures T/K (=288.15–318.15) and ambient pressure over the dilute concentration range of (0.03–0.2) mol∙kg−1. The experimental data of density (ρ) and speed of sound (u) were further processed to obtain respective derived parameters, such as apparent molar volume of solute Vϕ, isentropic compressibility of solution κs and apparent molar isentropic compression of the solute Ks,ϕ. The limiting values of apparent molar volume Vϕ0, apparent molar isentropic compression Ksϕ0 and apparent molar expansibility Eϕ0 of solute have been computed. Further, the coefficient of thermal expansion α∗, second order derivative of limiting apparent molal volume ∂2Vϕ0/∂T2, hydration number (nH) and transfer properties (ΔtrVϕ0andΔtrKs,ϕ0) of MI have also been obtained. An attempt has been made to analyse the molecular interactions through the coulomb attenuated hybrid exchange–correlation density functional theory (DFT) by gaussian tool. The effect of temperature and the studied electrolytic and non-electrolytic moieties (i.e., KCl, MgCl2, Dextrose and Urea) have been discussed in the light of prevailing interactions between solute-co-solute and solvent molecules on the basis of co-sphere overlap model.