The experimental data of densities, ρ, speeds of sound, u, and refractive indices, nD, are reported for pure compounds and their two binary mixtures of acetonitrile + aromatic hydrocarbons, namely: acetonitrile + n-propylbenzene and acetonitrile + iso-propyllbenzene, at five temperatures, in the range of T = (298.15 to 318.15) K with ΔT = 5 K, on the entire composition range and under atmospheric pressure, p = 0.1 MPa. The values obtained from experimental measurements have been correlated by the Jouyban-Acree model with good accuracy. Based on the experimental data, the excess and deviation quantities, as: excess molar volumes, <InlineEquation ID="IEq1"> <EquationSource Format="TEX">$V_{m}^{E}$</EquationSource> <EquationSource Format="MATHML"><math> <msubsup> <mi>V</mi> <mrow> <mi>m</mi> </mrow> <mi>E</mi> </msubsup> </math></EquationSource> </InlineEquation>, partial/ apparent molar volumes, deviation in speeds of sound, Δu, excess isentropic compressibilities, <InlineEquation ID="IEq2"> <EquationSource Format="TEX">${\kappa_{S}^{E} }$</EquationSource> <EquationSource Format="MATHML"><math> <msubsup> <mi>κ</mi> <mrow> <mi>S</mi> </mrow> <mi>E</mi> </msubsup> </math></EquationSource> </InlineEquation>, excess molar isentropic compressibilities, <InlineEquation ID="IEq3"> <EquationSource Format="TEX">$K_{S,m}^{E}$</EquationSource> <EquationSource Format="MATHML"><math> <msubsup> <mi>K</mi> <mrow> <mi>S</mi> <mo>,</mo> <mi>m</mi> </mrow> <mi>E</mi> </msubsup> </math></EquationSource> </InlineEquation>, refractive index deviations, ΔnD, and excess molar refractions, <InlineEquation ID="IEq4"> <EquationSource Format="TEX">${R_{m}^{E} }$</EquationSource> <EquationSource Format="MATHML"><math> <msubsup> <mi>R</mi> <mrow> <mi>m</mi> </mrow> <mi>E</mi> </msubsup> </math></EquationSource> </InlineEquation>, respectively, have been calculated. For each of the studied mixtures, all these excess properties have been correlated with the Redlich–Kister polynomial equation and the coefficients of correlations were reported. In addition, in this paper, the Perturbed Chain Statistical Associating Fluid Theory Equation of State (PC-SAFT EoS) was used for modeling the density as predictive approach. On the other hand, PC-SAFT + two models were used for calculate the speed of sound of binary mixtures, and PC-SAFT + four mixing rules were used for compute the refractive index of binary mixtures.

Volumetric, Acoustic and Optical Properties for Binary Mixtures of Acetonitrile + Aromatic Hydrocarbons: Experimental and Modeling Study

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2026年1月12日

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Dana Drăgoescu,
Ariel Hernández,
Alexander Shchamialiou

摘要

The experimental data of densities, ρ, speeds of sound, u, and refractive indices, n_D, are reported for pure compounds and their two binary mixtures of acetonitrile + aromatic hydrocarbons, namely: acetonitrile + n-propylbenzene and acetonitrile + iso-propyllbenzene, at five temperatures, in the range of T = (298.15 to 318.15) K with ΔT = 5 K, on the entire composition range and under atmospheric pressure, p = 0.1 MPa. The values obtained from experimental measurements have been correlated by the Jouyban-Acree model with good accuracy. Based on the experimental data, the excess and deviation quantities, as: excess molar volumes, $V_{m}^{E}$ $V_{m}^{E}$ , partial/ apparent molar volumes, deviation in speeds of sound, Δu, excess isentropic compressibilities, ${\kappa_{S}^{E} }$ $κ_{S}^{E}$ , excess molar isentropic compressibilities, $K_{S,m}^{E}$ $K_{S, m}^{E}$ , refractive index deviations, Δn_D, and excess molar refractions, ${R_{m}^{E} }$ $R_{m}^{E}$ , respectively, have been calculated. For each of the studied mixtures, all these excess properties have been correlated with the Redlich–Kister polynomial equation and the coefficients of correlations were reported. In addition, in this paper, the Perturbed Chain Statistical Associating Fluid Theory Equation of State (PC-SAFT EoS) was used for modeling the density as predictive approach. On the other hand, PC-SAFT + two models were used for calculate the speed of sound of binary mixtures, and PC-SAFT + four mixing rules were used for compute the refractive index of binary mixtures.