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
Giannis Kontos, Maria Anna Soldatou, Ioannis Tsivintzelis
{"title":"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","authors":"Giannis Kontos, Maria Anna Soldatou, Ioannis Tsivintzelis","doi":"10.1016/j.jct.2024.107327","DOIUrl":null,"url":null,"abstract":"<div><p>The effect of water and choline chloride on the CO<sub>2</sub> 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 CO<sub>2</sub> per mole of amine, but reduces the CO<sub>2</sub> solubility in the bulk, expressed as moles of CO<sub>2</sub> per kg of solvent. Furthermore, it was shown that if a small part of water is replaced by choline chloride, the CO<sub>2</sub> 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 CO<sub>2</sub> per mole of amine. However, such phenomenon is not enough to compensate for the rather low CO<sub>2</sub> solubility in water and the overall absorption ability of the aqueous DES solution, expressed in moles of CO<sub>2</sub> 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 CO<sub>2</sub> partial pressures of the order of 1 kPa and that the increase of CO<sub>2</sub> solubility at higher partial pressures is attributed to the hydrolysis of the carbamate and the molecular CO<sub>2</sub> dissolution.</p></div>","PeriodicalId":54867,"journal":{"name":"Journal of Chemical Thermodynamics","volume":null,"pages":null},"PeriodicalIF":2.2000,"publicationDate":"2024-05-29","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":null,"platform":"Semanticscholar","paperid":null,"PeriodicalName":"Journal of Chemical Thermodynamics","FirstCategoryId":"5","ListUrlMain":"https://www.sciencedirect.com/science/article/pii/S0021961424000806","RegionNum":3,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q3","JCRName":"CHEMISTRY, PHYSICAL","Score":null,"Total":0}
引用次数: 0
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.
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.