不同温度下3-氨基-1-丙醇+二甲基乙酰胺+环己酮三元体系的体积、声学、光学性质和相互作用参数的实验与理论结合研究

IF 2.9 4区 工程技术 Q3 CHEMISTRY, PHYSICAL
Soheyl Vaali, Hossein Iloukhani, Khatereh Khanlarzadeh, Ariel Hernández
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引用次数: 0

摘要

研究了(3-氨基-1-丙醇+ N,N-二甲基乙酰胺)、(3-氨基-1-丙醇+环己酮)、(N,N-二甲基乙酰胺+环己酮)、(3-氨基-1-丙醇+ N,N-二甲基乙酰胺+环己酮)二元和三元溶液的体积、光学和声学性质。在环境压力(81.5 kPa)下,在298.15、303.15、308.15、313.15、318.15和323.15 K下测量了整个组成范围内的密度(ρ)、声速(u)和折射率(\({n}_{\text{D}}\))。还计算了过量摩尔体积\({V}_{\text{m}}^{\text{E}}\)、过量偏摩尔体积\({\overline{V} }_{i}^{E}\)、等熵压缩偏差\({\Delta k}_{\text{s}}\)或折射率\({\Delta n}_{\text{D}},\)。3-氨基-1-丙醇+ N,N-二甲基乙酰胺和N,N-二甲基乙酰胺+环己酮的二元混合物的\({V}_{\text{m}}^{\text{E}}\)和\({\Delta k}_{\text{s}}\)值为正,3-氨基-1-丙醇+环己酮的值为负。\({\Delta n}_{\text{D}}\)值对3-氨基-1-丙醇+ N,N-二甲基乙酰胺为负,对其他两种二元混合物为正。\({V}_{\text{m}}^{\text{E}}\), \({\Delta k}_{\text{s}}\)和\({\Delta n}_{\text{D}}\)分别使用二元和三元混合物的Redlich-Kister和Cibulka方程进行关联。微扰链统计关联流体理论(PC-SAFT)状态方程被证明是模拟二元混合物和三元混合物密度的有效工具。为了将声速作为预测方法进行建模,采用了Schaaff碰撞因子理论和Nomoto关系作为理论模型。此外,还成功地应用了四种混合规则来预测所研究混合物的折射率。这些发现提供了对分子间相互作用、分子大小差异和混合物结构特征的见解。
本文章由计算机程序翻译,如有差异,请以英文原文为准。

A Combined Experimental and Theoretical Investigation of Volumetric, Acoustical and Optical Properties and Interaction Parameters in the Ternary (3-Amino-1-Propanol + Dimethylacetamide + Cyclohexanone) and Its Sub-systems at Different Temperatures

A Combined Experimental and Theoretical Investigation of Volumetric, Acoustical and Optical Properties and Interaction Parameters in the Ternary (3-Amino-1-Propanol + Dimethylacetamide + Cyclohexanone) and Its Sub-systems at Different Temperatures

The volumetric, optical, and acoustical properties of binary and ternary solutions of (3-amino-1-propanol + N,N-dimethylacetamide), (3-amino-1-propanol + cyclohexanone), (N,N-dimethylacetamide + cyclohexanone), and (3-amino-1-propanol + N,N-dimethylacetamide + cyclohexanone) were investigated in this study. Density (ρ), speed of sound (u), and refractive index (\({n}_{\text{D}}\)) were measured across the entire composition range at 298.15, 303.15, 308.15, 313.15, 318.15, and 323.15 K at ambient pressure (81.5 kPa). Excess molar volume\({V}_{\text{m}}^{\text{E}}\), excess partial molar volume \({\overline{V} }_{i}^{E}\), deviations in isentropic compressibility\({\Delta k}_{\text{s}}\), or refractive index \({\Delta n}_{\text{D}},\) were also calculated. Binary mixtures of 3-amino-1-propanol + N,N-dimethylacetamide and N,N-dimethylacetamide + cyclohexanone showed positive \({V}_{\text{m}}^{\text{E}}\) and \({\Delta k}_{\text{s}}\) values, while 3-amino-1-propanol + cyclohexanone exhibited negative values. \({\Delta n}_{\text{D}}\) values were negative for 3-amino-1-propanol + N,N-dimethylacetamide and positive for the other two binary mixtures.\({V}_{\text{m}}^{\text{E}}\),\({\Delta k}_{\text{s}}\), and \({\Delta n}_{\text{D}}\) were correlated using the Redlich–Kister and Cibulka equations for binary and ternary mixtures, respectively. The Perturbed Chain Statistical Associating Fluid Theory (PC-SAFT) equation of state proved to be an effective tool for modeling the density of binary mixtures and ternary mixture. For modeling speed of sound as predictive approach in these mixtures, Schaaff’s Collision Factor Theory and Nomoto’s Relation were employed as theoretical models. Additionally, four mixing rules were successfully applied to predict the refractive index of the studied mixtures. These findings provide insights into intermolecular interactions, molecular size differences, and structural characteristics within the mixtures.

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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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