Query：
学者姓名：代成娜
Refining：
Year
Type
Indexed by
Source
Complex
Co-Author
Language
Clean All
Abstract ：
Deep eutectic solvents (DESs) as relatively novel green solvents have potential spread wide applications in separation processes, especially for acid gases and volatile organic compounds (VOCs) absorption. However, the high viscosity of typical DESs can decrease the mass transfer rate and increase energy consumption for pumping, thereby limiting their overall efficiency and feasibility in industrial applications. In this work, the efficient absorption of 1,2-dichloroethane (DCE) was intensified by designing a series of low-viscosity DESs, and the absorption performance, separation mechanism, and conceptual industrial process simulation were systematically investigated. The results showed that 3,4-DMOET:ButA with molar ratio of 1:2 was chosen as the suitable absorbent for DCE due to its maximum saturated absorption capacity (2746 mg/g at 20 degrees C, atmospheric pressure, and saturated content of DCE in the feed gas) and minimum viscosity property (26.51 mPas at 20 degrees C). The absorption mechanism was investigated by 1H NMR, FT-IR and quantum chemical (QC) calculations, indicating that the absorption was a physical process. The weak interaction analysis results illustrated that both HBD and HBA play an important role in the separation. Specifically, C-Hpi and C-HCl are the main contributors to the HBA-DCE interaction, while C-HO HB and vdW interactions played a dominant role in the HBD-DCE interaction. According to the process simulation results of DES absorbing DCE, it can be seen that DES exhibits a high DCE removal performance. The process intensification strategy may be directly extended to absorb other VOCs.
Cite：
Copy from the list or Export to your reference management。
| GB/T 7714 | Yin, Shumeng , Wang, Shuying , Yu, Gangqiang et al. Effective Absorption of 1,2-Dichloroethane Using Low-Viscosity Deep Eutectic Solvents [J]. | ACS OMEGA , 2025 , 10 (13) : 13492-13501 . |
| MLA | Yin, Shumeng et al. "Effective Absorption of 1,2-Dichloroethane Using Low-Viscosity Deep Eutectic Solvents" . | ACS OMEGA 10 . 13 (2025) : 13492-13501 . |
| APA | Yin, Shumeng , Wang, Shuying , Yu, Gangqiang , Chen, Biaohua , Dai, Chengna . Effective Absorption of 1,2-Dichloroethane Using Low-Viscosity Deep Eutectic Solvents . | ACS OMEGA , 2025 , 10 (13) , 13492-13501 . |
| Export to | NoteExpress RIS BibTex |
Abstract ：
The substantial emission of fluorinated gases (F-gases) has exacerbated global climate change. Ionic liquids (ILs) are a type of promising green solvents for capturing F-gases. For efficient screening of IL candidates, this study proposed two machine learning (ML) models multilayer perceptron (MLP) and support vector regression (SVR) based on the critical descriptors from the thermodynamic model COSMO-RS to predict the solubility of F-gases in ILs for the first time. Over 4000 experimental solubility data (25F-gases and 52 ILs) collected were utilized to build the dataset. The used COSMO-RS-based descriptors consist of distribution of surface shielding charge density (sigma-profiles) of ILs and F-gases, molecular surface area and molecular volume of anions, cations and Fgases. In addition, the input descriptors include temperature (T), pressure (P) and molecular weight of anions, cations and F-gases. The results indicate that MLP exhibits the better prediction capability compared to SVR, with the average absolute relative deviation (AARD) of 10.16% and coefficient of determination (R2) of 0.9956, respectively. The generalization performance of the MLP model was successfully evaluated by predicting the solubility data of F-gas trans-1,3,3,3-tetrafluoropropene (R1234ze(E)), which are not been learned, with an average AARD of 14.28%. This demonstrates that the developed MLP possesses strong generalization ability, and provide a reliable reference for the screening task-specific ILs for high-efficiency capture of F-gases.
Keyword ：
Artificial neural network Artificial neural network COSMO-RS model COSMO-RS model Ionic liquids Ionic liquids Fluorinated gases solubility Fluorinated gases solubility Support vector regression Support vector regression
Cite：
Copy from the list or Export to your reference management。
| GB/T 7714 | Fu, Yuxuan , Mu, Wenbo , Bai, Xuefeng et al. Prediction of the solubility of fluorinated gases in ionic liquids by machine learning with COSMO-RS-based descriptors [J]. | SEPARATION AND PURIFICATION TECHNOLOGY , 2025 , 364 . |
| MLA | Fu, Yuxuan et al. "Prediction of the solubility of fluorinated gases in ionic liquids by machine learning with COSMO-RS-based descriptors" . | SEPARATION AND PURIFICATION TECHNOLOGY 364 (2025) . |
| APA | Fu, Yuxuan , Mu, Wenbo , Bai, Xuefeng , Zhang, Xin , Dai, Chengna , Chen, Biaohua et al. Prediction of the solubility of fluorinated gases in ionic liquids by machine learning with COSMO-RS-based descriptors . | SEPARATION AND PURIFICATION TECHNOLOGY , 2025 , 364 . |
| Export to | NoteExpress RIS BibTex |
Abstract ：
Glycolysis is one of the most promising closed-loop recycling technologies for PET textiles; however, its efficiency is compromised by the presence of dyes, which inhibit the repolymerization of the depolymerized monomer, bis(hydroxyethylterephthalate) (BHET), into high-quality recycled PET (rPET). In this study, hydrophobic deep eutectic solvents (DES) were employed as extractants to remove colored impurities from the glycolysis solution (GS) of PET glycolysis. An optimized DES system composed of oleic acid and menthol (Men:OleA) achieved a decolorization ratio of up to 89.4 % in a simulated GS with Disperse Blue 56 doped BHET (BHET-DB56). Kinetic analysis revealed that the dye extraction by Men:OleA DES follows a pseudo-second-order kinetic model. Furthermore, DES successfully decolorized nine different colored PET textile GSs, achieving a maximum decolorization rate of 98.2 % after a secondary extraction process. Even after multiple recycling cycles, Men:OleA DES maintained consistent decolorization performance. Through characterization and quantum chemical calculations, the decolorization process was found to be driven primarily by physical interactions, specifically hydrogen bonding and van der Waals forces between dye molecules and DES. This study seeks to provide an effective method for the decolorization of BHET and proposes a strategy for the closed-loop recycling of colored PET textiles.
Keyword ：
Decolorization Decolorization Waste PET textiles Waste PET textiles Deep eutectic solvents Deep eutectic solvents Extraction Extraction
Cite：
Copy from the list or Export to your reference management。
| GB/T 7714 | Wang, Zhanpeng , Tang, Yumei , Zhu, Lin et al. Efficient Decolorization of Recovered Bis(Hydroxyethylterephthalate) from Waste Polyester Textiles by Hydrophobic Deep Eutectic Solvents [J]. | CHEMSUSCHEM , 2025 . |
| MLA | Wang, Zhanpeng et al. "Efficient Decolorization of Recovered Bis(Hydroxyethylterephthalate) from Waste Polyester Textiles by Hydrophobic Deep Eutectic Solvents" . | CHEMSUSCHEM (2025) . |
| APA | Wang, Zhanpeng , Tang, Yumei , Zhu, Lin , Liu, Ning , Yu, Gangqiang , Xu, Ruinian et al. Efficient Decolorization of Recovered Bis(Hydroxyethylterephthalate) from Waste Polyester Textiles by Hydrophobic Deep Eutectic Solvents . | CHEMSUSCHEM , 2025 . |
| Export to | NoteExpress RIS BibTex |
Abstract ：
Separation and reaction processes are key components employed in the modern chemical industry, and the former accounts for the majority of the energy consumption therein. In particular, hydrocarbon separation and purification processes, such as aromatics extraction, desulfurization, and denitrification, are challenging in petroleum refinement, an industrial cornerstone that provides raw materials for products used in human activities. The major technical shortcomings in solvent extraction are volatile solvent loss, product entrainment leading to secondary pollution, low separation efficiency, and high regeneration energy consumption due to the use of traditional organic solvents with high boiling points as extraction agents. Ionic liquids (ILs), a class of designable functional solvents or materials, have been widely used in chemical separation processes to replace conventional organic solvents after nearly 30 years of rapid development. Herein, we provide a systematic and comprehensive review of the state-of-the-art progress in ILs in the field of extractive hydrocarbon separation (i.e., aromatics extraction, desulfurization, and denitrification) including (i) molecular thermodynamic models of IL systems that enable rapid large-scale screening of IL candidates and phase equilibrium prediction of extraction processes; (ii) structure-property relationships between anionic and cationic structures of ILs and their separation performance (i.e., selectivity and distribution coefficients); (iii) IL-related extractive separation mechanisms (e.g., the magnitude, strength, and sites of intermolecular interactions depending on the separation system and IL structure); and (iv) process simulation and design of IL-related extraction at the industrial scale based on validated thermodynamic models. In short, this Review provides an easy-to-read exhaustive reference on IL-related extractive separation of hydrocarbon mixtures from the multiscale perspective of molecules, thermodynamics, and processes. It also extends to progress in IL analogs, deep eutectic solvents (DESs) in this research area, and discusses the current challenges faced by ILs in related separation fields as well as future directions and opportunities.
Cite：
Copy from the list or Export to your reference management。
| GB/T 7714 | Yu, Gangqiang , Dai, Chengna , Liu, Ning et al. Hydrocarbon Extraction with Ionic Liquids [J]. | CHEMICAL REVIEWS , 2024 , 124 (6) : 3331-3391 . |
| MLA | Yu, Gangqiang et al. "Hydrocarbon Extraction with Ionic Liquids" . | CHEMICAL REVIEWS 124 . 6 (2024) : 3331-3391 . |
| APA | Yu, Gangqiang , Dai, Chengna , Liu, Ning , Xu, Ruinian , Wang, Ning , Chen, Biaohua . Hydrocarbon Extraction with Ionic Liquids . | CHEMICAL REVIEWS , 2024 , 124 (6) , 3331-3391 . |
| Export to | NoteExpress RIS BibTex |
Abstract ：
In this work, the efficient capture of dichloromethane (DCM) with ionic liquids (ILs) was proposed and systematically investigated. The carboxylic acid-based anion and quaternary phosphonium cation were screened out, and on this basis the designed tetrabutylphosphonium hexanoate ([P4444][C5COO]) and tetrabutylammonium hexanoate ([N4444][C5COO]) ILs were finally synthesized. The results demonstrate that [P4444][C5COO] exhibits the optimal absorption performance (1400 mg center dot g � 1 at 30 degrees C and 0.3 bar). Notably, the Henry's law constant for DCM in [P4444][C5COO] (3.02 Pa center dot m3 center dot mol- 1 at 25 degrees C) is the lowest among all solvents documented in the literature. The microscopic mechanism was explored by 1H NMR spectra, quantum chemical (QC) calculations and molecular dynamics (MD) simulations. The results suggest that anion plays a dominant role, while weak cation-anion interaction and large free volume of cations are conducive to the absorption of DCM. The proposed IL was considered as a promising alternative absorbent to achieve high absorption capacity, suitable physicochemical properties and excellent recyclability.
Keyword ：
Ionic liquids Ionic liquids Absorption Absorption Quantum chemistry calculations Quantum chemistry calculations Dichloromethane Dichloromethane Molecular dynamics simulations Molecular dynamics simulations
Cite：
Copy from the list or Export to your reference management。
| GB/T 7714 | Mu, Mingli , Yu, Gangqiang , Zhang, Xinfeng et al. Deep removal of dichloromethane using ionic liquids: Thermodynamic and molecular insights [J]. | CHEMICAL ENGINEERING SCIENCE , 2023 , 284 . |
| MLA | Mu, Mingli et al. "Deep removal of dichloromethane using ionic liquids: Thermodynamic and molecular insights" . | CHEMICAL ENGINEERING SCIENCE 284 (2023) . |
| APA | Mu, Mingli , Yu, Gangqiang , Zhang, Xinfeng , Xu, Ruinian , Wang, Ning , Chen, Biaohua et al. Deep removal of dichloromethane using ionic liquids: Thermodynamic and molecular insights . | CHEMICAL ENGINEERING SCIENCE , 2023 , 284 . |
| Export to | NoteExpress RIS BibTex |
Abstract ：
The novel pi-electron donor-based deep eutectic solvents (DESs) have been shown to be a promising type of absorbent with excellent performance on toluene absorption. However, their greenness or sustainability is still unclear. Thus, to bridge the gap and give a comprehensive evaluation for their industrialization potential, the life cycle assessment (LCA) was used to evaluate the potential environmental impacts incurred from their production and usage for absorbing toluene. The environmental profiles are also compared with that of popular choline chloride (ChCl) based DES, common organic solvent triethylene glycol (TEG) and ionic liquid ([EMIM][Tf2N]). The results indicate that among the involved hydrogen bond acceptors (HBAs), TEBAC generally imparts lower environmental impacts than other HBAs but has higher impacts than ChCl. Although TEBAC-PhOH is not the most environmentally friendly absorbent during the production stage, its outstanding absorption performance minimizes the environmental impact when absorbing the same mass of toluene. Furthermore, the environmental impacts of the toluene absorption process using TEBAC-PhOH is significantly lower than that of [EMIM][Tf2N], slightly lower than TEG. Therefore, considering both absorption performance and environmental impacts, TEBAC-PhOH can be used as a promising "green and sustainable" toluene absorbent to traditional absorbents and ionic liquids.
Keyword ：
deep eutectic solvents (DES) deep eutectic solvents (DES) pi-electron donor pi-electron donor life cycle assessment life cycle assessment toluene absorption toluene absorption environmental impact environmental impact
Cite：
Copy from the list or Export to your reference management。
| GB/T 7714 | Chen, Biaohua , Li, Jinyi , Yu, Gangqiang et al. Environmental Sustainability of π-Electron Donor-Based Deep Eutectic Solvents for Toluene Absorption: A Life-Cycle Perspective [J]. | CHEMSUSCHEM , 2023 , 17 (4) . |
| MLA | Chen, Biaohua et al. "Environmental Sustainability of π-Electron Donor-Based Deep Eutectic Solvents for Toluene Absorption: A Life-Cycle Perspective" . | CHEMSUSCHEM 17 . 4 (2023) . |
| APA | Chen, Biaohua , Li, Jinyi , Yu, Gangqiang , Xu, Ruinian , Dai, Chengna . Environmental Sustainability of π-Electron Donor-Based Deep Eutectic Solvents for Toluene Absorption: A Life-Cycle Perspective . | CHEMSUSCHEM , 2023 , 17 (4) . |
| Export to | NoteExpress RIS BibTex |
Abstract ：
Chlorinated volatile organic compounds (VOCs), of which dichloromethane (DCM) has become one of the main components because of its extensive use and strong volatility, are recognized as extremely hazardous and refractory pollutants in the atmosphere. The efficient treatment of DCM is of great significance to the protection of environment and human health. In this work, the strategy of DCM capture with deep eutectic solvents (DESs) with different hydrogen bond acceptors (HBAs) and hydrogen bond donors (HBDs) was proposed and systematically investigated. The experimental results show that tetrabutylphosphonium chloride: levulinic acid ([P-4444][Cl]-LEV) presents the most excellent DCM absorption capacity among all DESs studied and considerable capacity in [P-4444][Cl]-LEV (1:2) with 899 mg DCM/g DES (5.58 mol DCM/mol DES) at 30 degrees C and DCM partial pressure of 0.3 bar can be achieved. The microscopic absorption mechanism is explored by (HNMR)-H-1 and FT-IR spectra as well as quantum chemistry calculations, indicating that the absorption is a physical process. The interaction energy analysis suggests that the greater the interaction energy between DES and DCM, the greater the saturated absorption capacity of DCM. The hydrogen bond (HB) contributes most to the weak interaction between DCM and HBA/HBD, and both HBA and HBD play an important role in the absorption of DCM.
Keyword ：
Deep eutectic solvents Deep eutectic solvents Microscopic mechanisms Microscopic mechanisms Dichloromethane Dichloromethane Absorption Absorption Quantum chemistry calculations Quantum chemistry calculations
Cite：
Copy from the list or Export to your reference management。
| GB/T 7714 | Mu, Mingli , Zhang, Xinfeng , Yu, Gangqiang et al. Effective absorption of dichloromethane using deep eutectic solvents [J]. | JOURNAL OF HAZARDOUS MATERIALS , 2022 , 439 . |
| MLA | Mu, Mingli et al. "Effective absorption of dichloromethane using deep eutectic solvents" . | JOURNAL OF HAZARDOUS MATERIALS 439 (2022) . |
| APA | Mu, Mingli , Zhang, Xinfeng , Yu, Gangqiang , Xu, Ruinian , Liu, Ning , Wang, Ning et al. Effective absorption of dichloromethane using deep eutectic solvents . | JOURNAL OF HAZARDOUS MATERIALS , 2022 , 439 . |
| Export to | NoteExpress RIS BibTex |
Abstract ：
Taking chlorobenzene (C6H5Cl) and o-dichlorobenzene (C6H4Cl2) as representatives of chlorobenzene based volatile organic compounds (CBs), a novel deep-purification technology of absorbing with ionic liquids (ILs) as absorbent was proposed and systematically investigated. Based on conductor-like screening model for real sol-vents (COSMO-RS) model, the suitable IL 1-ethyl-3-methylimidazolium tetrafluoroborate ([EMIM][BF4]) for absorbing CBs was screened out from 289 kinds of commonly used ILs. Removal experiments of C6H5Cl and C6H4Cl2 by [EMIM][BF4] were carried out at different temperatures, pressures and IL flow rates. Results sug-gested that [EMIM][BF4] had excellent absorption properties, and deep removal of CBs can be achieved that the content of C6H5Cl/C6H4Cl2 in the purified gas can be decreased down to 13.6 ppm/9.9 ppm (in molar fraction). Absorption capacity of [EMIM][BF4] to CBs was almost unchanged after absorbing and desorbing for up to 20 times, proving the repeatability of the absorption performance. Characterization by NMR and FT-IR showed that there was no chemical bond formed between [EMIM][BF4] and CBs, proving that the absorption process was physical absorption. Moreover, the structure of the regenerated [EMIM][BF4] had not been changed, which indicates that [EMIM][BF4] has strong thermal stability and chemical stability. Finally, the interaction mecha-nisms between [EMIM][BF4] and CBs were clarified from the aspects of interaction energy and interaction sites by quantum chemical calculation and wave function analysis. This work fills the gap of removing CBs by ab-sorption method with ILs, and proved that ILs could be employed as promising green solvents for chlorobenzene based VOCs removal.
Keyword ：
Deep removal Deep removal Chlorobenzenes Chlorobenzenes Ionic liquid Ionic liquid Separation mechanism Separation mechanism Absorption Absorption
Cite：
Copy from the list or Export to your reference management。
| GB/T 7714 | Mu, Mingli , Zhang, Xinfeng , Yu, Gangqiang et al. Deep removal of chlorobenzene based volatile organic compounds from exhaust gas with ionic liquids [J]. | SEPARATION AND PURIFICATION TECHNOLOGY , 2022 , 298 . |
| MLA | Mu, Mingli et al. "Deep removal of chlorobenzene based volatile organic compounds from exhaust gas with ionic liquids" . | SEPARATION AND PURIFICATION TECHNOLOGY 298 (2022) . |
| APA | Mu, Mingli , Zhang, Xinfeng , Yu, Gangqiang , Sun, Chenyang , Xu, Ruinian , Liu, Ning et al. Deep removal of chlorobenzene based volatile organic compounds from exhaust gas with ionic liquids . | SEPARATION AND PURIFICATION TECHNOLOGY , 2022 , 298 . |
| Export to | NoteExpress RIS BibTex |
Abstract ：
Structural effects on various imidazolium?based ionic liquids (ILs) (i.e., [C][A], [C] = [EMIM]+, [BMIM]+, and [OMIM]+; [A] = [BF4]?, [PF6]?, and [Tf2N]?) suitability as drying agents for gas dehydration processes are explored from thermodynamic and dynamic insights by quantum chemistry (QC) calculations and molecular dynamics (MD) simulations. It is found that [EMIM][BF4] is regarded as the most promising drying agent because it exhibits the lowest Henry?s law constant and highest diffusion coefficient of H2O among all ILs. The microscopic mechanism at molecular level is revealed based on QC calculations and MD simulations, and the results demonstrate that the IL (i.e., [EMIM][BF4]) simultaneously with the smallest cation and anion size corresponds to both the strongest hydrogen bond (HB) interaction of H2O?anion and the strongest HB together with van der Waals interactions of H2O?cation. This work provides a valuable guidance from viewpoint of thermodynamics and dynamics for developing and screening novel ILs for gas dehydration.
Keyword ：
Quantum chemistry calculation Quantum chemistry calculation Molecular dynamics simulation Molecular dynamics simulation Structural effect Structural effect Ionic liquids (ILs) Ionic liquids (ILs) Gas dehydration Gas dehydration
Cite：
Copy from the list or Export to your reference management。
| GB/T 7714 | Yu, Gangqiang , Xu, Ruinian , Wu, Bin et al. Molecular thermodynamic and dynamic insights into gas dehydration with imidazolium?based ionic liquids [J]. | CHEMICAL ENGINEERING JOURNAL , 2021 , 416 . |
| MLA | Yu, Gangqiang et al. "Molecular thermodynamic and dynamic insights into gas dehydration with imidazolium?based ionic liquids" . | CHEMICAL ENGINEERING JOURNAL 416 (2021) . |
| APA | Yu, Gangqiang , Xu, Ruinian , Wu, Bin , Liu, Ning , Chen, Biaohua , Dai, Chengna et al. Molecular thermodynamic and dynamic insights into gas dehydration with imidazolium?based ionic liquids . | CHEMICAL ENGINEERING JOURNAL , 2021 , 416 . |
| Export to | NoteExpress RIS BibTex |
Abstract ：
To further reduce the energy consumption, investment and operating costs of the extractive distillation (ED) process, this study focuses on the process intensification by the combination of ionic liquids-based mixed entrainers and dividing wall column (DWC) for methanol/ethanol/water separation process. Based on the process simulation results, energy efficiency, economic and environmental impact assessments were carried out and compared with the benchmarked ED process using ethylene glycol as entrainer. The ternary ED process using the ionic liquids-based mixed entrainer can reduce the total annual cost (TAC) by about 5.98% and the energy consumption by 2.93%. The TAC and energy consumption for the proposed ternary ED process with DWC using the ionic liquids-based mixed entrainer can be reduced by 7.81% and 4.52%, respectively. The novel ED process shows the high energy efficiency, low economy cost and low CO2 emissions with a great industrial application prospect when compared to the benchmarked process. © 2021 Elsevier B.V.
Keyword ：
Energy utilization Energy utilization Industrial emissions Industrial emissions Ethylene Ethylene Operating costs Operating costs Distillation columns Distillation columns Ethylene glycol Ethylene glycol Ionic liquids Ionic liquids Distillation Distillation Investments Investments Energy efficiency Energy efficiency Cost reduction Cost reduction
Cite：
Copy from the list or Export to your reference management。
| GB/T 7714 | Li, Guoxuan , Liu, Shengli , Yu, Gangqiang et al. Extractive distillation using ionic liquids-based mixed solvents combined with dividing wall column [J]. | Separation and Purification Technology , 2021 , 269 . |
| MLA | Li, Guoxuan et al. "Extractive distillation using ionic liquids-based mixed solvents combined with dividing wall column" . | Separation and Purification Technology 269 (2021) . |
| APA | Li, Guoxuan , Liu, Shengli , Yu, Gangqiang , Dai, Chengna , Lei, Zhigang . Extractive distillation using ionic liquids-based mixed solvents combined with dividing wall column . | Separation and Purification Technology , 2021 , 269 . |
| Export to | NoteExpress RIS BibTex |
Export
| Results： |
Selected to |
| Format： |
