Application of PC-SAFT EoS and SCFT for the modeling of thermophysical properties comprising deep eutectic solvent and alcohols

Abstract

Zinc (II) chloride based deep eutectic solvent (DES) were formed by mixing zinc (II) chloride with phosphoric acid. Fourier-transform infrared spectros-copy was used to identify any possible shifts when the two compounds were assorted, and differential scanning calorimetry (SDT Q600 V20.9 Build 2D) was utilized to evaluate the formation of deep eutectic solvent. Densities, ρ, and speed of sound, u, of [ZnCl 2 ][phosphoric acid] 1:2.5 with methanol, ethanol, or propanol have been measured at T = (293.15, 303.15, 308.15, and 313.15) K and at atmospheric pressure. Excess molar volumes (V Em), isentropic compressibilities (κs), deviation in isentropic compressibility (Δκs), and intermolecular free length (L f ) were calculated from the densities, and speed of sound, respectively. To fit the excess molar volumes and deviation in isentropic compressibilities, the Redlich-Kister smoothing polynomial was used. Also, we have used perturbed chain statistical associating fluid theory equation of state (PC- SAFT EoS) for modeling the densities of the binary mixtures, and Schaaff's collision factor theory (SCFT) and Nomoto's relation (NR) were used for modeling the speed of sounds for the binary mixtures.