Experimental and theoretical investigation of CO2 solubility in amine-based deep eutectic solvents

IF 2.8 3区工程技术 Q3 CHEMISTRY, PHYSICAL Fluid Phase Equilibria Pub Date : 2024-08-21 DOI:10.1016/j.fluid.2024.114203

Nan He , Yukun Zhang , Fenhong Song , Jing Fan , Xiwu Zhang

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Abstract

Deep eutectic solvents (DESs) have appealed increasing research interest across various scientific and industrial applications, notably in relation to efforts in CO₂ capture. This study presents a novel series of DESs were synthesized on the basis of monoethanolamine (MEA) and N-methyldiethanolamine (MDEA) as hydrogen bond donors with tetrabutylammonium bromide (TBAB) and tetrabutylphosphine bromide (TBPB) salt as hydrogen bond acceptors. A gas solubility measurement experimental system based on pressure drop method has been established to evaluate the solubility of CO₂ in amine-based deep eutectic solvents. The evaluation was performed over a temperature range of 303.15 to 323.15 K and a pressure range of 100 to 1000 kPa. The results indicated that as the molar ratio of hydrogen bond donors increases, the solubility of CO₂ in DESs increases, while it was found to be less affected by the hydrogen bond acceptor. Of these, the solubility of CO₂ is strongest at a 1:10 molar ratio of TBAB and MEA. The nuclear magnetic resonance spectroscopy spectra (NMR) and FTIR spectroscopy revealed that the MEA-based DES mixture primarily exhibited chemical absorption of CO₂, while the MDEA-based DES predominantly showed physical dissolution of CO₂. In addition, it was observed that both temperature and pressure significantly influenced the CO₂ solubility, and a successful correlation was developed using different semi-empirical models.

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二氧化碳在胺基深共晶溶剂中溶解度的实验和理论研究

深共晶溶剂（DES）在各种科学和工业应用领域吸引了越来越多的研究兴趣，特别是在二氧化碳捕集方面。本研究以单乙醇胺（MEA）和 N-甲基二乙醇胺（MDEA）为氢键供体，以四丁基溴化铵（TBAB）和四丁基溴化膦盐（TBPB）为氢键受体，合成了一系列新型 DES。建立了一个基于压降法的气体溶解度测量实验系统，用于评估二氧化碳在胺类深共晶溶剂中的溶解度。评估在 303.15 至 323.15 K 的温度范围和 100 至 1000 kPa 的压力范围内进行。结果表明，随着氢键供体摩尔比的增加，二氧化碳在 DES 中的溶解度也会增加，而氢键受体对其影响较小。其中，当 TBAB 和 MEA 的摩尔比为 1:10 时，二氧化碳的溶解度最强。核磁共振光谱（NMR）和傅立叶变换红外光谱显示，基于 MEA 的 DES 混合物主要表现出对 CO2 的化学吸收，而基于 MDEA 的 DES 则主要表现出对 CO2 的物理溶解。此外，还观察到温度和压力对二氧化碳的溶解度有显著影响，并利用不同的半经验模型成功建立了相关关系。

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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.