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

IF 2.9 4区 工程技术 Q3 CHEMISTRY, PHYSICAL International Journal of Thermophysics Pub Date : 2025-01-30 DOI:10.1007/s10765-024-03496-z
Dana Drăgoescu, Ariel Hernández, Alexander Shchamialiou
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Abstract

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, \({V}_{m}^{E}\), excess speeds of sound, uE, excess isentropic compressibilities, \({\kappa }_{S}\), excess molar isentropic compressibilities, \({K}_{S,m}^{E}\), refractive index deviations, ΔnD, and excess molar refractions, \({R}_{m}^{E}\), 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.

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乙腈+烷基取代丁基苯二元混合物的密度、声速和折射率:实验和模型研究
本文报道了在T = (298.15, 303.15, 308.15, 313.15, 318.15) K和常压p = 0.1 MPa条件下,乙腈+芳烃(乙腈+正丁基苯、乙腈+仲丁基苯和乙腈+叔丁基苯)三种二元混合物的密度、ρ、声速、u和折射率nD的实验数据。用Jouyban-Acree模型对实验测量值进行了相关性分析,得到了较好的精度。根据实验数据计算了超摩尔体积\({V}_{m}^{E}\)、超声速uE、超等熵可压缩性\({\kappa }_{S}\)、超摩尔等熵可压缩性\({K}_{S,m}^{E}\)、折射率偏差ΔnD和超摩尔折射率\({R}_{m}^{E}\)。对于每一个所研究的混合物,过量或偏差性质都与Redlich-Kister多项式方程相关,并报告了相关系数。本文采用微扰链统计关联流体理论状态方程(PC-SAFT EoS)对密度进行建模作为预测方法。另一方面,使用PC-SAFT +两个模型计算二元混合物的声速,使用PC-SAFT +四个混合规则计算二元混合物的折射率。
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来源期刊
CiteScore
4.10
自引率
9.10%
发文量
179
审稿时长
5 months
期刊介绍: International Journal of Thermophysics serves as an international medium for the publication of papers in thermophysics, assisting both generators and users of thermophysical properties data. This distinguished journal publishes both experimental and theoretical papers on thermophysical properties of matter in the liquid, gaseous, and solid states (including soft matter, biofluids, and nano- and bio-materials), on instrumentation and techniques leading to their measurement, and on computer studies of model and related systems. Studies in all ranges of temperature, pressure, wavelength, and other relevant variables are included.
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