Experimental and theoretical exploration of intermolecular interactions in butyl acrylate + benzene, + toluene, + o-xylene, + m-xylene, + p-xylene, and + mesitylene binary mixtures at ambient temperatures: Ultrasonic and viscometric methods

IF 5.2 2区 化学 Q2 CHEMISTRY, PHYSICAL Journal of Molecular Liquids Pub Date : 2025-04-15 Epub Date: 2025-02-10 DOI:10.1016/j.molliq.2025.127117
Anil Kumar Nain
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Abstract

The speeds of sound, u and viscosities, η of the binary mixtures of butyl acrylate with benzene, toluene, o-xylene, m-xylene, p-xylene, and mesitylene across the full mole fraction range were measured at ambient temperatures and pressure, p = 100 kPa. The experimental data are correlated by means of Jouyban-Acree model to represents the composition and temperature dependence of these physical properties. Using the measured data, various parameters, viz., excess isentropic compressibilities, excess speeds of sound, excess molar isentropic compressibilities, and deviations in viscosity were evaluated. The partial molar isentropic compressibilities and excess partial molar isentropic compressibilities of the constituents over whole composition range; and at infinite dilution are calculated. The variation of these parameters has been interpreted in relation to the intermolecular interactions in these mixtures. The results specified the presence of weak interactions between unlike molecules, the interactions follow the order: benzene > toluene > p-xylene > m-xylene > o-xylene > mesitylene. The extent of interactions depends on the number and position of the methyl groups substituted to benzene ring in these aromatic hydrocarbons. The speeds of sound were theoretically calculated by means of various theories/relations and the viscosities of these mixtures were correlated by means of several empirical and semi-empirical models and the outcomes are compared with experimental data. The relative applicability of these theories/relations has been discussed.

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常温下丙烯酸丁酯+苯、+甲苯、+邻二甲苯、+间二甲苯、+对二甲苯和+间三甲苯二元混合物分子间相互作用的实验和理论探索:超声和粘度测定方法
在常温和常压(p = 100 kPa)条件下,测定了丙烯酸丁酯与苯、甲苯、邻二甲苯、间二甲苯、对二甲苯和间三甲苯二元混合物在全摩尔分数范围内的声速、u和粘度、η。利用Jouyban-Acree模型对实验数据进行了关联,表征了这些物理性质的组成和温度依赖性。利用测量数据,评估了各种参数,即超额等熵可压缩性、超额声速、超额摩尔等熵可压缩性和粘度偏差。组分在整个组成范围内的偏摩尔等熵可压缩性和超偏摩尔等熵可压缩性;在无限稀释下计算。这些参数的变化被解释为与这些混合物中的分子间相互作用有关。结果表明不同分子之间存在弱相互作用,相互作用顺序为:苯>;甲苯比;对二甲苯的在间二甲苯的在邻二甲苯的在5 -三甲基苯。相互作用的程度取决于这些芳烃中取代苯环的甲基的数量和位置。利用各种理论/关系对声速进行了理论计算,并利用几种经验和半经验模型对这些混合物的粘度进行了关联,并将计算结果与实验数据进行了比较。讨论了这些理论/关系的相对适用性。
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来源期刊
Journal of Molecular Liquids
Journal of Molecular Liquids 化学-物理:原子、分子和化学物理
CiteScore
10.30
自引率
16.70%
发文量
2597
审稿时长
78 days
期刊介绍: The journal includes papers in the following areas: – Simple organic liquids and mixtures – Ionic liquids – Surfactant solutions (including micelles and vesicles) and liquid interfaces – Colloidal solutions and nanoparticles – Thermotropic and lyotropic liquid crystals – Ferrofluids – Water, aqueous solutions and other hydrogen-bonded liquids – Lubricants, polymer solutions and melts – Molten metals and salts – Phase transitions and critical phenomena in liquids and confined fluids – Self assembly in complex liquids.– Biomolecules in solution The emphasis is on the molecular (or microscopic) understanding of particular liquids or liquid systems, especially concerning structure, dynamics and intermolecular forces. The experimental techniques used may include: – Conventional spectroscopy (mid-IR and far-IR, Raman, NMR, etc.) – Non-linear optics and time resolved spectroscopy (psec, fsec, asec, ISRS, etc.) – Light scattering (Rayleigh, Brillouin, PCS, etc.) – Dielectric relaxation – X-ray and neutron scattering and diffraction. Experimental studies, computer simulations (MD or MC) and analytical theory will be considered for publication; papers just reporting experimental results that do not contribute to the understanding of the fundamentals of molecular and ionic liquids will not be accepted. Only papers of a non-routine nature and advancing the field will be considered for publication.
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