Pre-screening of an eco-friendly solvent for separating industrial mixtures: A useful tool for solvent selection

IF 2.8 3区工程技术 Q3 CHEMISTRY, PHYSICAL Fluid Phase Equilibria Pub Date : 2024-07-14 DOI:10.1016/j.fluid.2024.114176

Reitumetse Molefi , Kabo Matshetshe , Bakusele Kabane , Nokukhanya Mavis Xhakaza , Nirmala Deenadayalu , Indra Bahadur

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Abstract

In this work, gas liquid chromatography was used to obtain the retention data of volatile organic solvents (here referred as solutes) at different temperatures, T = (313.15 - 353.15) K and at atmospheric pressure. The retention data obtained was used to compute the activity coefficients at infinite dilution. The solvent was prepared by the combination of 1‑butyl‑2,3-dimethylimidazolium chloride and diethylene glycol at 1:2 molar ratio and was used as a stationary phase to evaluate intermolecular interactions of various volatile organic solvents, including (aromatic hydrocarbons, ketones, alkanes, alkenes, alkynes, alcohols, thiophene, acetonitrile and tetrahydrofuran). Fourier transform infrared spectroscopy (FTIR) and nuclear magnetic resonance (NMR) spectroscopy were utilized to determine any possible shifts when the two compounds were assorted. TGA/DSC 1 was also utilized to determine the thermal stability of the investigated solvent and to confirm that there will be no bleeding on the column loading when operated at T = (313.15 - 353.15) K. The excess thermodynamic properties at infinite dilution including enthalpies, Gibbs free energies and entropy term were computed to further explain the types of interactions occurring between the systems. The activity coefficients at infinite dilution data were used to calculate the separation parameters (selectivity and capacity) to evaluate the feasibility of the solvent in separating the industrial mixtures. Values pertaining to selectiveness and capacity were evaluated and compared to other extracting solvents found in literature for the separation of azeotropic mixtures. The attained activity coefficients at infinite dilution data reveals that the investigated solvent better separate solutes at low temperatures and this is an added advantage when using 1‑butyl‑2,3-dimethylimidazolium chloride to diethylene glycol. In addition, the investigated solvent was found suitable for the extraction of azeotropic mixtures comprising alkanes and alcohols.

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预筛选用于分离工业混合物的环保型溶剂：选择溶剂的有用工具

在这项工作中，使用气相液相色谱法获得了挥发性有机溶剂（此处称为溶质）在不同温度 T = (313.15 - 353.15) K 和大气压力下的保留数据。获得的保留数据用于计算无限稀释时的活性系数。溶剂由 1-丁基-2,3-二甲基氯化咪唑和二甘醇以 1:2 的摩尔比配制而成，用作固定相来评估各种挥发性有机溶剂（包括芳香烃、酮、烷、烯、炔、醇、噻吩、乙腈和四氢呋喃）的分子间相互作用。利用傅立叶变换红外光谱（FTIR）和核磁共振（NMR）光谱来确定两种化合物混合时可能发生的偏移。此外，还利用 TGA/DSC 1 测定了所研究溶剂的热稳定性，并确认在 T = (313.15 - 353.15) K 下操作时不会对色谱柱负载造成任何影响。无限稀释时的活性系数数据用于计算分离参数（选择性和容量），以评估溶剂分离工业混合物的可行性。对选择性和容量值进行了评估，并与文献中发现的用于分离共沸混合物的其他萃取溶剂进行了比较。无限稀释时获得的活性系数数据显示，所研究的溶剂在低温条件下能更好地分离溶质，这是用 1-丁基-2,3-二甲基氯化咪唑替代二甘醇的一个额外优势。此外，还发现所研究的溶剂适用于烷烃和醇类共沸混合物的萃取。

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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来源期刊

Fluid Phase Equilibria 工程技术-工程：化工

CiteScore

5.30

自引率

15.40%

发文量

223

审稿时长

53 days

期刊介绍： Fluid Phase Equilibria publishes high-quality papers dealing with experimental, theoretical, and applied research related to equilibrium and transport properties of fluids, solids, and interfaces. Subjects of interest include physical/phase and chemical equilibria; equilibrium and nonequilibrium thermophysical properties; fundamental thermodynamic relations; and stability. The systems central to the journal include pure substances and mixtures of organic and inorganic materials, including polymers, biochemicals, and surfactants with sufficient characterization of composition and purity for the results to be reproduced. Alloys are of interest only when thermodynamic studies are included, purely material studies will not be considered. In all cases, authors are expected to provide physical or chemical interpretations of the results. Experimental research can include measurements under all conditions of temperature, pressure, and composition, including critical and supercritical. Measurements are to be associated with systems and conditions of fundamental or applied interest, and may not be only a collection of routine data, such as physical property or solubility measurements at limited pressures and temperatures close to ambient, or surfactant studies focussed strictly on micellisation or micelle structure. Papers reporting common data must be accompanied by new physical insights and/or contemporary or new theory or techniques.