2-乙基-1-己醇和 1,2-二取代乙烷的二元混合物:热物理、超声学和计算研究

IF 1.4 4区 化学 Q4 CHEMISTRY, PHYSICAL Journal of Solution Chemistry Pub Date : 2024-01-19 DOI:10.1007/s10953-023-01360-6
Rajendra Pradhan, Dhruba Jyoti Roy, Soumik Das, Sudarshan Pradhan, Anmol Chettri, Biswajit Sinha
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引用次数: 0

摘要

在整个成分范围内(\(x_{{1}} = 0 - 1.0\),在常压下于 T = (298.15-318.15) K 测得了 2-乙基-1-己醇(2-EH)与乙二胺、1,2-二氯乙烷(DCE)和单乙醇胺(MEA)的二元混合物的密度(\(\rho\))和粘度(\(\eeta\))。这些二元混合物的超声波速度(\(u\))和折射率(\(n_{text{D}}\))也是在 298.15 K 时测量的。利用这些实验数据可以得到过量摩尔体积(\(V_{\text{m}}^{\text{E}}}\)、粘度偏差(\(\Delta \eta\) )、过量摩尔折射率(\(R_{\text{m}}^{\text{E}}}\)、过量等熵可压缩性(\(\kappa_{\text{S}}}^{\text{E}}}\))以及其他衍生性质都是在不同实验温度下测定的。这些热物理性质是通过分子相互作用和结构效应来讨论的,并与混合物的红外光谱得到了很好的印证。二元混合物的过量摩尔体积(\(V_{\text{m}}}^{\text{E}}}\)被用来推导部分摩尔体积(\(\overline{V}_{\text{m,1}}}^{{0}}\)和\(\overline{V}_{{\text{m,}}\、和(\overline{V}_{{text{m,}1}}^{{text{0,E}}}\(\overline{V}_{{text{m,}2}}}^{{text{0,E}}}\))和过量部分摩尔体积(\(\overline{V}_{{text{m,}1}}^{{text{0,E}}\))在无限稀释时的体积变化,以揭示二元混合物的体积变化。Prigogine-Flory-Paterson 理论(PFP)、Peng-Robinson 状态方程(PR-EOS)和 Bloomfield-Dewan 模型(BF-D)被用来预测混合物的过量摩尔体积(\(V_{\text{m}}^{\text{E}}})和粘度(\(\eta\))。二元混合物的超声波速度(\(u\))是用经验或半经验理论预测的,如自由长度理论、阻抗依赖关系、理想混合物关系、俊杰关系、碰撞因子理论和野本关系等。此外,还进行了计算研究,从理论上确定溶剂-溶剂相互作用的程度和性质。
本文章由计算机程序翻译,如有差异,请以英文原文为准。

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Binary Mixtures of 2-Ethyl-1-hexanol and 1, 2-Disubstituted Ethanes: Thermophysical, Ultraacoustic and Computational Studies

Densities (\(\rho\)) and viscosities (\(\eta\)) of the binary mixtures of 2-ethyl-1-hexanol (2-EH) with ethylenediamine, 1,2-dichloroethane (DCE) and monoethanolamine (MEA) were measured at T = (298.15–318.15) K under atmospheric pressure over the entire composition range (\(x_{{1}} = 0 - 1.0\)). For these binary mixtures ultrasonic speeds (\(u\)) and refractive indices (\(n_{{\text{D}}}\)) were also measured at 298.15 K. With these experimental data the excess molar volumes (\(V_{{\text{m}}}^{{\text{E}}}\)), viscosity deviations (\(\Delta \eta\)), excess molar refractions (\(R_{{\text{m}}}^{{\text{E}}}\)), excess isentropic compressibility (\(\kappa_{{\text{S}}}^{{\text{E}}}\)) and other derived properties were determined at various experimental temperatures. Such thermophysical properties were discussed in terms of molecular interactions and structural effects well corroborated with IR spectra of the mixtures. Excess molar volumes (\(V_{{\text{m}}}^{{\text{E}}}\)) of the binary mixtures were used to derive partial molar volumes (\(\overline{V}_{{\text{m,1}}}^{{0}}\) and \(\overline{V}_{{{\text{m,}}\,{\kern 1pt} {2}}}^{{0}}\)) and excess partial molar volumes (\(\overline{V}_{{\text{m,1}}}^{{\text{0,E}}}\) and \(\overline{V}_{{\text{m,2}}}^{{\text{0,E}}}\)) at infinite dilution to reveal the volume changes of the binary mixtures. Prigogine-Flory-Paterson theory (PFP), Peng-Robinson Equation of States (PR-EOS) and Bloomfield-Dewan (BF-D) model were used to predict excess molar volumes (\(V_{{\text{m}}}^{{\text{E}}}\)) and viscosities (\(\eta\)) of the mixtures. Ultrasonic speeds (\(u\)) of the binary mixtures predicted using empirical or semi-empirical theories like free length theory, Impedance dependence relation, Ideal mixture relation, Junjie’s relation, collision factor theory and Nomoto’s relation, etc. Computational studies have also been performed to establish the degree and nature of solvent–solvent interactions theoretically.

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来源期刊
Journal of Solution Chemistry
Journal of Solution Chemistry 化学-物理化学
CiteScore
2.30
自引率
0.00%
发文量
87
审稿时长
3-8 weeks
期刊介绍: Journal of Solution Chemistry offers a forum for research on the physical chemistry of liquid solutions in such fields as physical chemistry, chemical physics, molecular biology, statistical mechanics, biochemistry, and biophysics. The emphasis is on papers in which the solvent plays a dominant rather than incidental role. Featured topics include experimental investigations of the dielectric, spectroscopic, thermodynamic, transport, or relaxation properties of both electrolytes and nonelectrolytes in liquid solutions.
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