Correlation Between PFP, ERAS, PC-SAFT Models and Experimental Validation Through Thermodynamic and Spectroscopic Analysis of Acetonitrile with Chloro Derivatives of Ethane Binary Mixtures at Varying Temperatures

Abstract

The goal of this research is to examine the characteristics and interactions of mixtures containing acetonitrile (ACN) and various chloro derivatives of ethane, including 1,2-dichloroethane, 1,1,1-trichloroethane, and 1,1,2,2-tetrachloroethane. To accomplish this objective, measurements for density (ρ), speed of sound (u), and refractive index (n_D) were taken at temperatures between 293.15 K and 303.15 K and an ambient pressure of 81.5 kPa. Various thermodynamic derived properties such as excess molar volumes (\({V}_{\text{m}}^{\text{E}}\)), excess isentropic compressibilities (\({\kappa }_{\text{S}}^{\text{E}}\)), viscosity deviations (Δη), excess Gibbs energy of activation (\({\Delta G}^{*\text{E}}\)), and refractive indices deviation (\(\Delta n_{\varphi {\text{D}}}\)) were determined within the specified temperature range. The experimental data were analyzed using the Redlich–Kister polynomial relation for correlation purposes. Furthermore, the Prigogine–Flory–Patterson Theory (PFP) and Extended Real Association Solution (ERAS) models were utilized to correlate the excess molar volumes, while the Perturbed Chain Statistical Associating Fluid Theory (PC-SAFT) model with one adjustable parameter was used to correlate densities. Additionally, the Fourier Transform Infrared spectroscopy (FT-IR) was employed to explore interactions between these different molecules. The results obtained indicate that intermolecular forces in these substances are altered when they are combined in mixtures.