The experimental data of densities, ρ, speeds of sound, u, and refractive indices, nD, are reported for three binary mixtures of acetonitrile + aromatic hydrocarbons, namely: acetonitrile + n-butylbenzene, acetonitrile + sec-butylbenzene and acetonitrile + tert-butylbenzene, respectively, at T = (298.15, 303.15, 308.15, 313.15, and 318.15) K, on the entire composition ranges 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. The excess molar volumes, <InlineEquation ID="IEq1"> <InlineMediaObject> <ImageObject Color="BlackWhite" FileRef="10765_2024_3496_Article_IEq1.gif" Format="GIF" Height="21" Rendition="HTML" Resolution="72" Type="Linedraw" Width="26" /> </InlineMediaObject> <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>, excess speeds of sound, uE, excess isentropic compressibilities, <InlineEquation ID="IEq2"> <InlineMediaObject> <ImageObject Color="BlackWhite" FileRef="10765_2024_3496_Article_IEq2.gif" Format="GIF" Height="12" Rendition="HTML" Resolution="72" Type="Linedraw" Width="21" /> </InlineMediaObject> <EquationSource Format="TEX">${\kappa }_{S}$</EquationSource> <EquationSource Format="MATHML"><math> <msub> <mi>κ</mi> <mi>S</mi> </msub> </math></EquationSource> </InlineEquation>, excess molar isentropic compressibilities, <InlineEquation ID="IEq3"> <InlineMediaObject> <ImageObject Color="BlackWhite" FileRef="10765_2024_3496_Article_IEq3.gif" Format="GIF" Height="23" Rendition="HTML" Resolution="72" Type="Linedraw" Width="38" /> </InlineMediaObject> <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"> <InlineMediaObject> <ImageObject Color="BlackWhite" FileRef="10765_2024_3496_Article_IEq4.gif" Format="GIF" Height="21" Rendition="HTML" Resolution="72" Type="Linedraw" Width="26" /> </InlineMediaObject> <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>, have been calculated from experimental data. For each of the studied mixtures, the excess or deviation properties have been correlated with the Redlich–Kister polynomial equation and the coefficients of correlations were reported. In this manuscript, 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.

Densities, Speeds of Sound and Refractive Indices for Binary Mixtures of Acetonitrile + Alkyl-Substituted Butylbenzenes: Experimental and Modeling Study

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发表日期：

2025年1月30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 three binary mixtures of acetonitrile + aromatic hydrocarbons, namely: acetonitrile + n-butylbenzene, acetonitrile + sec-butylbenzene and acetonitrile + tert-butylbenzene, respectively, at T = (298.15, 303.15, 308.15, 313.15, and 318.15) K, on the entire composition ranges 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. The excess molar volumes, ${V}_{m}^{E}$ $V_{m}^{E}$ , excess speeds of sound, u^E, excess isentropic compressibilities, ${\kappa }_{S}$ $κ_{S}$ , excess molar isentropic compressibilities, ${K}_{S,m}^{E}$ $K_{S, m}^{E}$ , refractive index deviations, Δn_D, and excess molar refractions, ${R}_{m}^{E}$ $R_{m}^{E}$ , have been calculated from experimental data. For each of the studied mixtures, the excess or deviation properties have been correlated with the Redlich–Kister polynomial equation and the coefficients of correlations were reported. In this manuscript, 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.