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

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 (q) and speed of sound (u) of MI in water, aqueous electrolytic (0.06 mol center dot kg(-1) KCl/MgCl2) and non-electrolytic (0.06 mol center dot kg(-1) Dextrose/Urea) solutions at seven different temperatures T/K (=288.15-318.15) and ambi-ent pressure over the dilute concentration range of (0.03-0.2) mol center dot kg(-1). The experimental data of density (q) and speed of sound (u) were further processed to obtain respective derived parameters, such as apparent molar volume of solute (V-phi), isentropic compressibility of solution (k(s)) and apparent molar isentropic compression of the solute (Ks,(phi)) The limiting values of apparent molar volume (V-0 (phi)), apparent 0 molar isentropic compression K0and apparent molar expansibility E0 s0of solute have been com-0 puted. Further, the coefficient of thermal expansion (alpha((sic))) second order derivative of limiting apparent molal volume partial derivative V-2(phi)0/partial derivative T-2, hydration number (eta(H) ) and transfer properties ( Delta V-sigma(phi)0 and Delta K-sigma(s phi)0) of MI have also been obtained. An attempt has been made to analyse the molecular interactions through the cou-lomb 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.(c) 2023 Elsevier B.V. All rights reserved.