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

doi:10.1016/j.cjche.2024.09.031

Abstract

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 (△k_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.

Key words: Thermodynamic properties, Mixture, Viscosity, PFP theory, ERAS model, PC-SAFT model

摘要： 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 (△k_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.

关键词: Thermodynamic properties, Mixture, Viscosity, PFP theory, ERAS model, PC-SAFT model

Hadi Taheri Parsa, Hossein Iloukhani, Khatereh Khanlarzadeh. Experimental and computational insight in thermodynamic properties of binary mixtures of acetonitrile with trichloroethene or tetrachloroethene at different temperatures[J]. Chinese Journal of Chemical Engineering, 2025, 80(4): 328-340.

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