{"title":"n -甲基二乙醇胺(MDEA)存在下CO2在四丁基溴化铵(TBAB)和乙二醇深共晶溶剂中的溶解度:实验研究和热力学模型","authors":"Yosef Niktab, Ali Haghtalab","doi":"10.1016/j.molliq.2025.127834","DOIUrl":null,"url":null,"abstract":"<div><div>The growing need for efficient carbon dioxide (CO<sub>2</sub>) capture technologies has spurred research into novel solvents as alternatives to traditional methods. While ionic liquids (ILs) have shown promise, their high cost and complex synthesis hinder widespread application. Deep eutectic solvents (DESs), formed by simple mixing of a hydrogen bond donor and acceptor, have emerged as cost-effective and readily synthesized candidates for CO<sub>2</sub> absorption. Characterized by melting points lower than their components, DESs can exist in the liquid phase under ambient conditions. This study experimentally investigated the solubility of CO<sub>2</sub> in a specific DES composed of TetraButyl Ammonium Bromide (TBAB) and ethylene glycol (EG) in a 1:4 M ratio at temperatures of 313.15 K, 328.15 K, and 343.15 K, across a pressure range of 0.1–5 MPa. To further enhance CO<sub>2</sub> uptake, the effect of incorporating Methyl DiEthanolAmine (MDEA) at concentrations of 5, 10, and 15 wt% into the DES was also evaluated. The experimental results demonstrated a significant enhancement in CO<sub>2</sub> absorption with increasing pressure and decreasing temperature. Notably, the addition of MDEA led to a marked improvement in the CO<sub>2</sub> absorption capacity of the DES + MDEA mixture. Vapor-liquid equilibrium data for the studied systems were thermodynamically modeled using the Soave-Redlich-Kwong (SRK) equation of state for the vapor phase fugacity and the Non-Random Two-Liquid (NRTL) model for the liquid phase activity coefficients. The excellent agreement between the model predictions and the experimental data highlights the significant potential of TBAB:EG (DES), particularly when enhanced with MDEA, for efficient CO<sub>2</sub> capture applications.</div></div>","PeriodicalId":371,"journal":{"name":"Journal of Molecular Liquids","volume":"430 ","pages":"Article 127834"},"PeriodicalIF":5.3000,"publicationDate":"2025-05-23","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":"{\"title\":\"CO2 solubility in tetrabutyl ammonium bromide (TBAB) and ethylene glycol deep eutectic solvents in the presence of N-methyl diethanolamine (MDEA): experimental study and thermodynamic modeling\",\"authors\":\"Yosef Niktab, Ali Haghtalab\",\"doi\":\"10.1016/j.molliq.2025.127834\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"<div><div>The growing need for efficient carbon dioxide (CO<sub>2</sub>) capture technologies has spurred research into novel solvents as alternatives to traditional methods. While ionic liquids (ILs) have shown promise, their high cost and complex synthesis hinder widespread application. Deep eutectic solvents (DESs), formed by simple mixing of a hydrogen bond donor and acceptor, have emerged as cost-effective and readily synthesized candidates for CO<sub>2</sub> absorption. Characterized by melting points lower than their components, DESs can exist in the liquid phase under ambient conditions. This study experimentally investigated the solubility of CO<sub>2</sub> in a specific DES composed of TetraButyl Ammonium Bromide (TBAB) and ethylene glycol (EG) in a 1:4 M ratio at temperatures of 313.15 K, 328.15 K, and 343.15 K, across a pressure range of 0.1–5 MPa. To further enhance CO<sub>2</sub> uptake, the effect of incorporating Methyl DiEthanolAmine (MDEA) at concentrations of 5, 10, and 15 wt% into the DES was also evaluated. The experimental results demonstrated a significant enhancement in CO<sub>2</sub> absorption with increasing pressure and decreasing temperature. Notably, the addition of MDEA led to a marked improvement in the CO<sub>2</sub> absorption capacity of the DES + MDEA mixture. Vapor-liquid equilibrium data for the studied systems were thermodynamically modeled using the Soave-Redlich-Kwong (SRK) equation of state for the vapor phase fugacity and the Non-Random Two-Liquid (NRTL) model for the liquid phase activity coefficients. The excellent agreement between the model predictions and the experimental data highlights the significant potential of TBAB:EG (DES), particularly when enhanced with MDEA, for efficient CO<sub>2</sub> capture applications.</div></div>\",\"PeriodicalId\":371,\"journal\":{\"name\":\"Journal of Molecular Liquids\",\"volume\":\"430 \",\"pages\":\"Article 127834\"},\"PeriodicalIF\":5.3000,\"publicationDate\":\"2025-05-23\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"\",\"citationCount\":\"0\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"Journal of Molecular Liquids\",\"FirstCategoryId\":\"92\",\"ListUrlMain\":\"https://www.sciencedirect.com/science/article/pii/S0167732225010116\",\"RegionNum\":2,\"RegionCategory\":\"化学\",\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"\",\"PubModel\":\"\",\"JCR\":\"Q2\",\"JCRName\":\"CHEMISTRY, PHYSICAL\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"Journal of Molecular Liquids","FirstCategoryId":"92","ListUrlMain":"https://www.sciencedirect.com/science/article/pii/S0167732225010116","RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q2","JCRName":"CHEMISTRY, PHYSICAL","Score":null,"Total":0}
CO2 solubility in tetrabutyl ammonium bromide (TBAB) and ethylene glycol deep eutectic solvents in the presence of N-methyl diethanolamine (MDEA): experimental study and thermodynamic modeling
The growing need for efficient carbon dioxide (CO2) capture technologies has spurred research into novel solvents as alternatives to traditional methods. While ionic liquids (ILs) have shown promise, their high cost and complex synthesis hinder widespread application. Deep eutectic solvents (DESs), formed by simple mixing of a hydrogen bond donor and acceptor, have emerged as cost-effective and readily synthesized candidates for CO2 absorption. Characterized by melting points lower than their components, DESs can exist in the liquid phase under ambient conditions. This study experimentally investigated the solubility of CO2 in a specific DES composed of TetraButyl Ammonium Bromide (TBAB) and ethylene glycol (EG) in a 1:4 M ratio at temperatures of 313.15 K, 328.15 K, and 343.15 K, across a pressure range of 0.1–5 MPa. To further enhance CO2 uptake, the effect of incorporating Methyl DiEthanolAmine (MDEA) at concentrations of 5, 10, and 15 wt% into the DES was also evaluated. The experimental results demonstrated a significant enhancement in CO2 absorption with increasing pressure and decreasing temperature. Notably, the addition of MDEA led to a marked improvement in the CO2 absorption capacity of the DES + MDEA mixture. Vapor-liquid equilibrium data for the studied systems were thermodynamically modeled using the Soave-Redlich-Kwong (SRK) equation of state for the vapor phase fugacity and the Non-Random Two-Liquid (NRTL) model for the liquid phase activity coefficients. The excellent agreement between the model predictions and the experimental data highlights the significant potential of TBAB:EG (DES), particularly when enhanced with MDEA, for efficient CO2 capture applications.
期刊介绍:
The journal includes papers in the following areas:
– Simple organic liquids and mixtures
– Ionic liquids
– Surfactant solutions (including micelles and vesicles) and liquid interfaces
– Colloidal solutions and nanoparticles
– Thermotropic and lyotropic liquid crystals
– Ferrofluids
– Water, aqueous solutions and other hydrogen-bonded liquids
– Lubricants, polymer solutions and melts
– Molten metals and salts
– Phase transitions and critical phenomena in liquids and confined fluids
– Self assembly in complex liquids.– Biomolecules in solution
The emphasis is on the molecular (or microscopic) understanding of particular liquids or liquid systems, especially concerning structure, dynamics and intermolecular forces. The experimental techniques used may include:
– Conventional spectroscopy (mid-IR and far-IR, Raman, NMR, etc.)
– Non-linear optics and time resolved spectroscopy (psec, fsec, asec, ISRS, etc.)
– Light scattering (Rayleigh, Brillouin, PCS, etc.)
– Dielectric relaxation
– X-ray and neutron scattering and diffraction.
Experimental studies, computer simulations (MD or MC) and analytical theory will be considered for publication; papers just reporting experimental results that do not contribute to the understanding of the fundamentals of molecular and ionic liquids will not be accepted. Only papers of a non-routine nature and advancing the field will be considered for publication.