Overview: Effective Separation of Oxygen-, Nitrogen-, and Sulfur-Containing Aromatics in High-Temperature Coal Tar by Ionic Liquids and Deep Eutectic Solvents: Experimental and Computational

Yan, Weiwei; Wei, Xian‐Yong; Wang, Mengxiao; Zong, Zhi‐Min

doi:10.1021/acs.iecr.1c04724

Cited by 11 publications

(2 citation statements)

References 115 publications

Supporting

Mentioning

Contrasting

Order By: Relevance

“…More importantly, the use of DESs in the separation process of oil wash compounds solves the problems caused by traditional methods and is consistent with the principles of green chemistry. This will be a new direction for the sustainable development of the oil washing industry. − …”

Section: Introductionmentioning

confidence: 99%

Experimental and Mechanistic Investigation of Amide-Based Deep Eutectic Solvents for Quinoline Extraction and Separation from Wash Oil

Hu,

Wang,

Wang

et al. 2024

Ind. Eng. Chem. Res.

View full text Add to dashboard Cite

This study undertakes a comprehensive examination of the action mechanism of deep eutectic solvents (DESs) as extractants in the extraction and separation process of quinoline found in coal tar wash oil. This research is significant to the design, development, and high-value utilization of new extractants and wash oils. In this investigation, DESs were synthesized from amides, specifically acetamide, propionamide, and butyramide, in conjunction with lactic acid. The extraction and separation process of the DESs-quinolinetoluene system was scrutinized using a method that combines thermodynamic property prediction, experimental validation, and exploration of the action mechanism. The findings revealed that the Hansen solubility parameter (HSPs) theory effectively yielded solubility parameters of DESs and accurately forecasted the extraction efficiency and interaction type of quinoline. The HSP theory-based predictions for extraction efficiency were corroborated through liquid−liquid phase equilibrium experiments, in which the order of efficacy was observed as butyramide > propionamide > acetamide. This was further consolidated by quantum chemical analysis, which quantitatively unveiled the system's separation action mechanism from an atomic fragment perspective. It was established that hydrogen bonding significantly influences the quinoline extraction process and that the interaction between the DES system and quinoline is predominantly governed by multicenter hydrogen bonding, which results in atom-pair interactions of superior strength.

show abstract

Section: Introductionmentioning

confidence: 99%

Experimental and Mechanistic Investigation of Amide-Based Deep Eutectic Solvents for Quinoline Extraction and Separation from Wash Oil

Hu,

Wang,

Wang

et al. 2024

Ind. Eng. Chem. Res.

View full text Add to dashboard Cite

show abstract

“…There were few reports on the analysis of the mechanism for the separation process. To intuitively analyze the extraction mechanism of DESs and explore the selectivity difference of different DESs, quantum chemistry (QC) 14,15 and molecular dynamics (MD) 16,17 simulation are used routinely to reveal the microscopic action mechanism of the extraction process. QC analysis can directly observe weak intermolecular interactions.…”

Section: Introductionmentioning

confidence: 99%

Phase Equilibria and Mechanism Insights into the Separation of Isopropyl Acetate and Methanol by Deep Eutectic Solvents

Xing

et al. 2022

Ind. Eng. Chem. Res.

View full text Add to dashboard Cite

Separation of methanol−isopropyl acetate (IPAC) obtained via isopropanol synthesis is essential. Deep eutectic solvents (DESs) have garnered extensive attention in the field of azeotropic separation owing to their advantages such as biodegradability, ecofriendliness, and cost-effectiveness. In this work, three cholinebased DESs were prepared. Then, the experimental data of the synthesized DESs with methanol and IPAC were measured, which were linearly correlated with Hand and Othmer−Tobias equations. The G M /RT surface obtained using GUI-MATLAB software was used to determine the reliability of the fitting data based on the NRTL model. Choline chloride and ethylene glycol DES with a molar ratio of 1:2 exhibited the best methanol affinity. The effect of the solvent structure was studied using a combination of experimental and quantum chemistry and molecular dynamics (MD) calculations. Through electrostatic potential distribution, atoms-in-molecules, and independent gradient model analytical methods, the three DEEs were primarily extracted via a hydrogen bond interaction and van der Waals interaction, wherein the former played a dominant role in separation. MD simulation was used to reveal the effect of the structures of hydrogen bond acceptors (HBAs) and hydrogen bond donors (HBDs) on the extraction process at the molecular level. The analysis results indicated that HBA was the main influencing factor in the separation, and the electrostatic interaction of Cl − and methanol was dominant in the separation. Additionally, HBDs were the secondary factor during the separation process. In this work, the reasons for the differences in the separation performances of different DESs were analyzed from a microscopic perspective, offering theoretical support for selecting suitable DESs for separating alcohol-containing azeotropic systems.

show abstract

Insight into the experiment and extraction mechanism for separating carbazole from anthracene oil with quaternary ammonium-based deep eutectic solvents

Zhang,

Liu,

Shen

et al. 2024

Chinese Journal of Chemical Engineering

View full text Add to dashboard Cite

Overview: Effective Separation of Oxygen-, Nitrogen-, and Sulfur-Containing Aromatics in High-Temperature Coal Tar by Ionic Liquids and Deep Eutectic Solvents: Experimental and Computational

Cited by 11 publications

References 115 publications

Experimental and Mechanistic Investigation of Amide-Based Deep Eutectic Solvents for Quinoline Extraction and Separation from Wash Oil

Experimental and Mechanistic Investigation of Amide-Based Deep Eutectic Solvents for Quinoline Extraction and Separation from Wash Oil

Phase Equilibria and Mechanism Insights into the Separation of Isopropyl Acetate and Methanol by Deep Eutectic Solvents

Insight into the experiment and extraction mechanism for separating carbazole from anthracene oil with quaternary ammonium-based deep eutectic solvents

Contact Info

Product

Resources

About