Experimental and computational insight in thermodynamic properties of binary mixtures of acetonitrile with trichloroethene or tetrachloroethene at different temperatures

Abstract

Density (ρ), speed of sound (u), viscosity (η), and refractive index (n_D) were measured for pure acetonitrile, trichloroethene, and tetrachloroethene, as well as their binary mixtures at temperatures T = (293.15, 298.15, 303.15) K and at ambient pressure (81.5 kPa). From the experimental data, excess molar volume ($V_m^E$), thermal expansion coefficients (α), deviations in isentropic compressibility ($\Delta {\kappa }_s$), viscosity (Δη), and refractive index (Δn_D) were calculated. These values were then correlated using the Redlich-Kister polynomial equation, with fitting coefficients and standard deviations determined. Additionally, the Prigogine-Flory-Patterson (PFP) theory and the Extended Real Associated Solution (ERAS) model were employed to correlate the excess molar volume, while the Perturbed Chain Statistical Associating Fluid Theory (PC-SAFT) was used to predict the density of mixtures.