含芳香腈混合物的热力学
Thermodynamics of mixtures containing aromatic nitriles
AI总结：
本文报道了含芳香腈混合物的液液平衡曲线，利用多种热物理性质研究其相平衡与过量性质，并应用 DISQUAC 和 ERAS 模型分析分子间偶极、色散及结构相互作用。
摘要：
本文报道了以下混合物液液平衡（LLE）的共存曲线：苯乙腈 + 庚烷、+ 辛烷、+ 壬烷、+ 环辛烷或 + 2,2,4-三甲基戊烷，以及 3-苯丙腈 + 庚烷或 + 辛烷。研究利用一系列热物理性质考察了芳香腈 + 烷烃、+ 芳香烃或 + 1-烷醇体系，包括相平衡（固液平衡 SLE、汽液平衡 VLE 和 LLE）、过量摩尔函数、焓（$H_{\ ext{m}}^{\ ext{E}}$）、等容内能、等压热容（$C_{p \ ext{m}}^{\ ext{E}}$）和体积（$V_{\ ext{m}}^{\ ext{E}}$）以及 Kirkwood 关联因子。由于苯基与 CN 基团之间的邻近效应，芳香腈分子间的偶极相互作用强于同分异构线性腈分子间的偶极相互作用。偶极相互作用按以下顺序减弱：3-苯丙腈 > 苯乙腈 > 苯甲腈。苯甲腈 + 芳香烃混合物的特征是色散相互作用和结构效应。后者在含苯乙腈的体系中更为重要。在苯甲腈 + 正构烷烃或 + 1-烷醇混合物中也存在结构效应。上述体系已使用 DISQUAC 进行研究。文中给出了涉及芳香腈中 CN 基团参与接触的相互作用参数，并讨论了 DISQUAC 对过量性质和相平衡的计算结果。1-烷醇 + 苯甲腈混合物还通过 ERAS 模型进行了研究。ERAS 模型很好地表征了这些体系的 $H_{\ ext{m}}^{\ ext{E}}$。对于含有较长链 1-烷醇的溶液，其 $V_{\ ext{m}}^{\ ext{E}}$ 曲线的描述效果较差，这已通过结构效应的存在得到了解释。
英文摘要：
The coexistence curves of liquid-liquid equilibrium (LLE) for the mixtures: phenylacetonitrile + heptane, + octane, + nonane, + cyclooctane, or + 2,2,4-trimethylpentane and for 3-phenylpropionitrile + heptane, or + octane are reported. Aromatic nitrile + alkane, + aromatic hydrocarbon or + 1 alkanol systems are investigated using a set of thermophysical properties: phase equilibria (solid-liquid, SLE, vapour-liquid, VLE and LLE), excess molar functions, enthalpies ($H_{\text{m}}^{\text{E}}$), isochoric internal energies, isobaric heat capacities ($C_{p \text{m}}^{\text{E}}$) and volumes ($V_{\text{m}}^{\text{E}}$), and the Kirkwood correlation factor. Due to proximity effects between the phenyl and the CN groups, dipolar interactions between molecules of aromatic nitriles are stronger than those between molecules of isomeric linear nitriles. Dipolar interactions become weaker in the order: 3-phenylpropionitrile > phenylacetonitrile > benzonitrile. Benzonitrile + aromatic hydrocarbon mixtures are characterized by dispersive interactions and structural effects. The latter are more important in systems with phenylacetonitrile. Structural effects are also present in benzonitrile + n-alkane, or + 1-alkanol + mixtures. The systems mentioned above have been studied using DISQUAC. Interaction parameters for contacts where the CN group in aromatic nitriles participates are given and DISQUAC results on excess properties and phase equilibria are discussed. 1-Alkanol + benzonitrile mixtures are also investigated by means of the ERAS model. ERAS represents well $H_{\text{m}}^{\text{E}}$ of these systems. The $V_{\text{m}}^{\text{E}}$ curves of solutions with longer 1-alkanols are more poorly described, which has been explained in terms of the existence of structural effects.
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