Molecular interaction study using density, viscosity, speed of sound and FT-IR in 2-methyl-2-butanol + alkoxyethanols: Experimental and modelling approach

IF 2.2 3区 工程技术 Q3 CHEMISTRY, PHYSICAL Journal of Chemical Thermodynamics Pub Date : 2024-06-13 DOI:10.1016/j.jct.2024.107337
Gyan Prakash Dubey, Rachana Singh
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Abstract

In this article, the intermolecular interactions in the binary liquid mixtures of 2-methyl-2-butanol with alkoxyethanols viz., 2-ethoxyethanol, 2-propoxyethanol and 2-butoxyethanol have been interpreted using thermophysical properties. Density (ρ), viscosity (η) and speed of sound (u) of pure components and their binary mixtures have been measured over the entire range of composition at 298.15, 303.15 and 308.15 K and at pressure p = 0.10 MPa. The experimental data were used to calculate the thermophysical properties such as excess molar volume (VmE), excess molar isentropic compressibility (Ks,mE), excess speed of sound (uE), deviation in viscosity (Δη) and excess Gibbs free energy of activation for viscous flow (ΔGE). The changes in these properties with composition and temperature of the liquid mixtures were discussed in terms of intermolecular interactions. Also, the effect of increase in alkyl chain length of alkoxyethanol molecule on these properties has been studied. The excess functions and their deviations have been correlated using Redlich-Kister type polynomial equation. The experimentally measured values of viscosities have been correlated with various semi-empirical relations such as Grunberg-Nissan, Tamura-Kurata, Hind et al., Katti-Chaudhri, McAllister’s two parameter model, Heric-Brewer and McAllister’s three parameter model. Apart from this, Prigogine-Flory-Patterson (PFP) theory has been used for the estimation of VmE values for studied binary mixtures. FT-IR spectra of these liquid mixtures have also been studied.

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利用密度、粘度、声速和傅立叶变换红外光谱研究 2-甲基-2-丁醇 + 烷氧基乙醇中的分子相互作用:实验和建模方法
本文利用热物理性质解释了 2-甲基-2-丁醇与烷氧基乙醇(即 2-乙氧基乙醇、2-丙氧基乙醇和 2-丁氧基乙醇)的二元液体混合物中的分子间相互作用。在 298.15、303.15 和 308.15 K 和压力 p = 0.10 MPa 的整个成分范围内,测量了纯成分及其二元混合物的密度 (ρ)、粘度 (η)和声速 (u)。实验数据用于计算热物理性质,如过量摩尔体积 (VmE)、过量摩尔等熵可压缩性 (Ks,mE)、过量声速 (uE)、粘度偏差 (Δη)和粘性流动的过量吉布斯活化自由能 (ΔG∗E)。从分子间相互作用的角度讨论了这些特性随液体混合物的成分和温度而发生的变化。此外,还研究了烷氧基乙醇分子烷基链长度增加对这些性质的影响。利用 Redlich-Kister 型多项式方程对过剩函数及其偏差进行了相关分析。粘度的实验测量值与各种半经验关系相关联,如 Grunberg-Nissan、Tamura-Kurata、Hind 等人、Katti-Chaudhri、McAllister 的双参数模型、Heric-Brewer 和 McAllister 的三参数模型。除此之外,Prigogine-Flory-Patterson(PFP)理论也被用于估算所研究的二元混合物的 VmE 值。此外,还研究了这些液体混合物的傅立叶变换红外光谱。
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来源期刊
Journal of Chemical Thermodynamics
Journal of Chemical Thermodynamics 工程技术-热力学
CiteScore
5.60
自引率
15.40%
发文量
199
审稿时长
79 days
期刊介绍: The Journal of Chemical Thermodynamics exists primarily for dissemination of significant new knowledge in experimental equilibrium thermodynamics and transport properties of chemical systems. The defining attributes of The Journal are the quality and relevance of the papers published. The Journal publishes work relating to gases, liquids, solids, polymers, mixtures, solutions and interfaces. Studies on systems with variability, such as biological or bio-based materials, gas hydrates, among others, will also be considered provided these are well characterized and reproducible where possible. Experimental methods should be described in sufficient detail to allow critical assessment of the accuracy claimed. Authors are encouraged to provide physical or chemical interpretations of the results. Articles can contain modelling sections providing representations of data or molecular insights into the properties or transformations studied. Theoretical papers on chemical thermodynamics using molecular theory or modelling are also considered. The Journal welcomes review articles in the field of chemical thermodynamics but prospective authors should first consult one of the Editors concerning the suitability of the proposed review. Contributions of a routine nature or reporting on uncharacterised materials are not accepted.
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