CO2 solubility in amine based deep eutectic solvents: Review of literature data, experimental measurements for choline chloride plus 3-amino-1-propanol or 3-(methylamino)propylamine aqueous solutions and modeling with the modified Kent-Eisenberg model

IF 2.2 3区 工程技术 Q3 CHEMISTRY, PHYSICAL
Giannis Kontos, Maria Anna Soldatou, Ioannis Tsivintzelis
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Abstract

The effect of water and choline chloride on the CO2 absorption ability of amine based deep eutectic solvents is investigated. New experimental data are presented for four choline chloride – 3-amino-1-propanol (MPA) aqueous systems of various water contents and for an aqueous choline chloride – 3-(methylamino)propylamine (MAPA) system, which were modelled with the modified Kent-Eisenberg model. It was shown that, starting from an aqueous amine solution, the replacement of a small part of the amine by choline chloride does not significantly influence the moles of the absorbed CO2 per mole of amine, but reduces the CO2 solubility in the bulk, expressed as moles of CO2 per kg of solvent. Furthermore, it was shown that if a small part of water is replaced by choline chloride, the CO2 solubility in the bulk is not significantly altered. Moreover, the addition of water favors the chemical absorption, as the experimental results show increased absorbed moles of CO2 per mole of amine. However, such phenomenon is not enough to compensate for the rather low CO2 solubility in water and the overall absorption ability of the aqueous DES solution, expressed in moles of CO2 per kg of solvent, decreases. The modified Kent-Eisenberg model satisfactorily correlates the experimental data showing deviations that range between 0.4–6.6 % in all cases. The model predictions for the speciation in the loaded solutions reveal that the unreacted amine content is very low at CO2 partial pressures of the order of 1 kPa and that the increase of CO2 solubility at higher partial pressures is attributed to the hydrolysis of the carbamate and the molecular CO2 dissolution.

Abstract Image

二氧化碳在胺类深共晶溶剂中的溶解度:文献数据综述、氯化胆碱加 3-氨基-1-丙醇或 3-(甲基氨基)丙胺水溶液的实验测量结果以及修正的 Kent-Eisenberg 模型的建模方法
研究了水和氯化胆碱对胺基深共晶溶剂吸收二氧化碳能力的影响。文中给出了四种不同含水量的氯化胆碱-3-氨基-1-丙醇(MPA)水溶液体系和一种氯化胆碱-3-(甲基氨基)丙胺(MAPA)水溶液体系的新实验数据,并使用改进的肯特-艾森伯格模型对其进行了模拟。结果表明,从胺水溶液开始,用氯化胆碱替代一小部分胺并不会显著影响每摩尔胺吸收二氧化碳的摩尔数,但会降低二氧化碳在体积中的溶解度(以每公斤溶剂中二氧化碳的摩尔数表示)。此外,研究还表明,如果用氯化胆碱代替一小部分水,二氧化碳在体积中的溶解度也不会发生显著变化。此外,加水有利于化学吸收,因为实验结果显示每摩尔胺吸收的二氧化碳摩尔数增加了。然而,这种现象并不足以弥补二氧化碳在水中相当低的溶解度,而且 DES 水溶液的整体吸收能力(以每千克溶剂吸收多少摩尔二氧化碳表示)会下降。修改后的肯特-艾森伯格模型与实验数据的相关性令人满意,在所有情况下,偏差都在 0.4-6.6 % 之间。该模型对负载溶液中物种的预测表明,在二氧化碳分压为 1 kPa 的情况下,未反应的胺含量非常低,而在较高分压下,二氧化碳溶解度的增加归因于氨基甲酸酯的水解和二氧化碳分子的溶解。
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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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