AICHE JOURNAL
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2026
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IF 4
Ningbo Yu,Shaofei Wang,Min Zhou,Min Xiao,Bo Jin,Hongxia Gao,Zhiwu Liang
Amine-based water-lean solvents serve as energy-efficient absorbents for carbon dioxide (CO 2 ) capture but face paradoxical kinetic challenges, where the mixed solvents inconsistently accelerate or decelerate reaction rates across amine classes. By integrating stopped-flow kinetics, molecular dynamics simulations, and electrostatic potential analysis, we elucidate water modulates CO 2 absorption in mixed absorbents systems via amine-specific solvent encapsulation effect for the first time. For primary amines (e.g., monoethanolamine, MEA), water preferentially hydrates nucleophilic nitrogen atoms, forming steric barriers that impede CO 2 access and suppress kinetics with increasing hydration. Conversely, secondary amines (e.g., methylaminoethanol, MAE) exhibit oxygen-directed hydration, which weakens nitrogen solvation and enhances electrostatic CO 2 -amine interactions, accelerating kinetics. A zwitterion-based kinetic model quantifies these solvent-induced activation energy shifts, revealing a universal mechanism validated across diverse solvent systems. This work establishes molecular design principles for tailoring water-lean absorbents, bridging the critical gap between solvent engineering and reaction pathways to advance energy-efficient carbon capture technologies.
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高影响因子
JOURNAL OF CHEMICAL AND ENGINEERING DATA
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2026
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IF 2.4
Zhen Chang,Yaxuan Zhen,Chunying Zhu,Taotao Fu,Youguang Ma
The densities and dynamic viscosities of pure components, binary solutions and ternary solutions of 2-amino-2-methyl-1-propanol (AMP), 2-ethylaminoethanol (EAE) and water were systematically measured at (293.15–323.15) K. Based on experimental findings, calculations were made for the excess molar volume, thermal expansion coefficient, dynamic viscosity deviation, and solution viscous activation energy to assess intermolecular interactions. The negative excess molar volumes of binary and ternary aqueous solutions indicate significant hydrogen bonding interaction and a filling effect within the solutions. The negative excess molar volumes of binary and ternary aqueous solutions indicate significant hydrogen bonding interactions and a filling effect within the solutions. For the AMP–EAE system, the hydrogen bonding interaction and filling effect are weakened due to the similar volume and steric hindrance effect.
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CHEMICAL ENGINEERING JOURNAL
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2022
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IF 16.744
Qinlan Luo,Bohak Yoon,Hongxia Gao,Juan Lv,Gyeong S. Hwang,Min Xiao,Zhiwu Liang
To reduce the regeneration energy consumption for CO 2 capture, an advanced monoethanolamine (MEA) + 2-(ethylamino)ethanol (EAE) + sulfolane biphasic aqueous solution was developed, and the phase separation mechanism was explored. The effects of the concentration ratio on the phase separation behavior, CO 2 absorption performance, CO 2 loading at the phase separation point, and CO 2 desorption performance of MEA + EAE + sulfolane solutions were investigated comprehensively in experiments. The 3 M MEA + 2 M EAE + 5 M sulfolane showed the best properties with a large CO 2 loading of 0.32 mol/mol at the phase separation point and the relative low regeneration energy consumption, which is comparable to 5 M MEA in absorption with an improved desorption performance. The molecular mechanism of phase separation was revealed by molecular dynamics simulations, illustrating that strong hydrogen bonding between amine products and water and enhanced intermolecular interaction among amine products, would promote an aggregation of amine products. This study provides a promising candidate for energy-efficient CO 2 capture with molecular insights into a liquid–liquid phase separation.
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APPLIED ENERGY
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2022
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IF 11.446
Hangtian Hu,Mengxiang Fang,Fei Liu,Tao Wang,Zhixiang Xia,Wei Zhang,Chunliang Ge,Jingjuan Yuan
Biphasic solvents for CO 2 capture have received significant attention due to their potential for energy conservation. However, traditional biphasic solvents result in highly viscous CO 2 rich-phases and high amine losses. To overcome these drawbacks, we have developed a novel alkanolamine-based biphasic solvent by blending 2-(methylamino) ethanol (MAE), 3-(dimethylamino)propan-1-ol (3DMA1P), diethylene glycol dimethyl ether (DGM), and water. The aqueous MAE/3DMA1P/DGM solvent showed a cyclic capacity of 0.45 mol CO 2 /mol amine, which is 1.8 times that of monoethanolamine (MEA), and a desorption rate and regeneration efficiency twice those of MEA. The viscosity of the biphasic solvents can be reduced to 13.12 mPa⋅s at 313 K, which is lower than that of reported biphasic solvents. The evaluated regeneration energy was 2.33 GJ/ton CO 2 . Cation chromatography measurements revealed the tendency of MAE to accumulate in the CO 2 -rich phase with increasing CO 2 absorption loading. Quantitative 13 C NMR analyses were performed to investigate the species distribution in both phases, and DGM was found to be the major component of the CO 2 -lean phase. Different solubilities of the MAE molecules and MAE carbamate in DGM resulted in phase separation. Molecular dynamics (MD) simulations on the CO 2 -unloaded and CO 2 -loaded solutions verified the phase separation mechanism. MAE molecules tended to cluster, and the interactions between MAE and DGM dropped significantly, with increasing DGM concentration.
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JOURNAL OF MOLECULAR LIQUIDS
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2020
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IF 5.065
Tiantian Ping,Yu Dong,Shufeng Shen
Nonaqueous CO 2 absorbents, composed of secondary alkanolamines and 2-alkoxyethanols, have attracted much attention for an energy-efficient CO 2 capture process. In this work, densities and viscosities of partially CO 2 -loaded mixtures of 2-(butylamino)ethanol (BAE) + 2-butoxyethanol (EGBE) and 2-(ethylamino)ethanol (EAE) + EGBE were measured at atmospheric pressure over the temperature range of (293.15 to 353.15) K with amine mass fraction ( w 1 ) of (0.10, 0.30 and 0.50) containing various CO 2 loading. With increasing CO 2 loadings, significant increases in both density and viscosity were observed. Dimensionless ρ loaded · ρ CO2-free −1 and η loaded · η CO2-free −1 from the CO 2 -free and CO 2 -loaded systems were fitted by proposed correlations as a function of temperature, amine concentration and CO 2 loading. The calculated values of density and viscosity from the correlations are in good agreement with the experimental results, with AADs within 0.15% and 1.60% for density and viscosity respectively. The dramatic increase in viscosity of carbonated solutions was interpreted by the intermolecular interactions and the formation of ionic products in the mixtures based on the FTIR spectral results.
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JOURNAL OF MOLECULAR LIQUIDS
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2020
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IF 5.065
Chunying Zhu,Xiaojie Liu,Taotao Fu,Xiqun Gao,Youguang Ma
The densities and viscosities of the binary solutions EAE (2-(Ethylamino) ethanol) + H 2 O, DMEA ( N -dimethylethanolamine) + H 2 O, EAE + DMEA and ternary solution EAE + DMEA + H 2 O were measured at T = (293.15–333.15) K. Furthermore, the excess molar volume , partial molar volume , apparent molar volume, limiting partial molar volume and viscosity deviation were calculated. Based on the volumetric properties and viscosity properties of the solutions, the solute-solute and solvent-solute interactions were analyzed.
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MACROMOLECULES
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2023
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IF 5.5
Ke Wang,Jialu Zhang,Meiyu Si,Zilong Wang,Liru An,Guiyan Liu,Yongfei Zeng
A series of temperature/pH/CO2/redox-quadruple-responsive ferrocene-containing homopolymers were prepared for the first time. These homopolymers contain hydrophilic ethoxy group, amino group, and hydrophobic ferrocene (Fc) and were synthesized by reversible addition–fragmentation chain transfer (RAFT) polymerization. They showed four different stimuli responses. (1) They exhibit an upper critical solution temperature (UCST) in n-propyl alcohol and n-butanol, which can be adjusted by the molecular structure, molecular weight, and concentration. (2) They have a critical pH in aqueous solution and are affected by molecular structure, molecular weight, and concentration. (3) The CO2 response of the homopolymers was confirmed by cyclic bubbling CO2/N2 to the solution. (4) The redox response of homopolymers was demonstrated by adding a chemical oxidant (FeCl3)/reductant (VC) or electrical stimulation to the solution of homopolymers. In addition, these homopolymers are amphiphilic, and their self-assembly behavior in solution was investigated. It was found that they have different critical micelle concentrations (cmc) and can form lamella, sphere, and agglomerated sphere in solution, and the morphology can be reversibly changed by applying stimulation. Finally, the release behavior of micelles of the homopolymer was explored by wrapping Nile Red (NR), which proved that they had good release efficiency. These temperature/pH/CO2/redox-quadruple-responsive ferrocene-containing homopolymers expand the types of multistimuli-responsive homopolymers and have excellent application prospects in the fields of self-assembly, drug delivery, and electrode materials.
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CHEMICAL ENGINEERING SCIENCE
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2023
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IF 4.7
Qiang Sun,Jia Xiong,Hongxia Gao,Wilfred Olson,Zhiwu Liang
Catalytic CO 2 desorption from rich amine solution is a practical approach to reducing energy consumption for amine regeneration. In this study, for the first time, the catalytic effect of environmentally friendly, imidazole series ionic liquids ([Bmim]PF 6 , [Bmim]BF 4 , [Bmim]HSO 4 , [Bmim]NO 3 , [Bmim]CH 3 COOH, [Bmim]Cl, [Bmim]Br, and [Bmim]I) is evaluated in terms of CO 2 desorption rate, amount of CO 2 released, and heat duty. Overall, the [Bmim]PF 6 catalyst shows excellent catalytic activity for CO 2 desorption, increasing the quantity of CO 2 released by 21.35% and reducing the relative heat duty by 17.59%. In addition, the catalytic applicability of [Bmim]PF 6 for secondary and tertiary amine systems was evaluated. Of note, the homogeneous [Bmim]PF 6 catalyst presents good stability during 5 cycles. The catalyst/MEA (monoethanolamine) solution ratio of 3 wt% retained about 94% of the catalytic performance after five cycling tests without any reactivation step, showing the potential application of this desorption technology for CO 2 capture with lower heat duty.
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高影响因子
CHEMICAL ENGINEERING JOURNAL
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2023
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IF 15.1
Shuai Wang,Chunliang Shang,Yimin Deng,Jan Baeyens,Tatiana V. Plisko,Alexandr V. Bildyukevich,Tejraj M Aminabhavi,Xinying Liu,Mahluli Moyo,Helei Liu
The mass transfer plays a decisive role in screening and evaluation of amine solvents as well as in designing and scale-up of CO 2 capture. The influence of different operating parameters on mass transfer processes in CO 2 capture by EAE-1DMA2P amine solution was thoroughly investigated using a small-scale packed column. The mass transfer mechanism of EAE-1DMA2P amine solution in the capture of CO 2 was discussed by determining both mass transfer control steps and the reaction region between CO 2 and amine solvent, which provided a theoretical guidance for subsequent development of new solvents for large-scale applications. In addition, based on the experimental observations of K G a v , a prediction model for K G a v of EAE-1DMA2P composite amine solution was established by comparing two empirical models viz., Kohl-Riesenfeld-Astarita and Sheng of which Kohl-Riesenfeld-Astarita model provided a better fitting of the experimental results. The commonly used amine solvents and EAE-1DMA2P composite solvents were further compared and analyzed in terms of packed column size design and solvent consumption. The required packed column volume using EAE-1DMA2P composite solvent was only 4.95 m 3 , while the EAE-1DMA2P composite solvent has the smallest solvent consumption among all the solvents, indicating that this solvent has a lower operating cost than the other solvents, suggesting better industrial application.
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高影响因子
JOURNAL OF CHEMICAL THERMODYNAMICS
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2023
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IF 2.6
Qinghai Long,Shuo Wang,Xin Yin,Shufeng Shen
Nonaqueous solvents containing secondary alkanolamines and 2-alkoxyethanols, have recently gained significant attention for energy-efficient CO 2 capture process. However, the information of physicochemical property, particularly involving 2-(hexyloxy)ethanol (EGHE), is very limited for mass transfer and process modeling development. In this work, densities and viscosities were measured for binary mixtures of EGHE with 2-(methylamino)ethanol, 2-(ethylamino)ethanol and 2-(butylamino)ethanol at temperatures of (293.15–353.15)K and atmospheric pressure in the entire concentration range. The excess/deviation properties were derived from the experimental data and fitted by the Redlich-Kister equation to estimate the binary interaction parameters. The variation of excess properties with solvent composition and temperature was also discussed in terms of intermolecular interactions. The calculated from the proposed correlations matched well with the experimental values, with AARDs within 0.01% and 1.60% for density and viscosity respectively.
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SEPARATION AND PURIFICATION TECHNOLOGY
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2023
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IF 8.6
Yiming Zhao,Yongchun Zhang,Qi Liu,Xinwen Guo,Yang Cao,Nan Xu,Tianqinji Qi,Yongbo Chen,Shaoyun Chen
Water vapor contained in industrial waste gas will be accumulated in non-aqueous amine solvents when used for CO 2 capture and subsequently affect capture efficiency. While Piperazine (PZ) could be considered as an activator of the solution. Hence the effect of different contents of water and PZ added into the non-aqueous amine solvents on the CO 2 capture performance has been investigated. 13 C NMR has been used to identify the compounds present in aqueous CO 2 -rich amine solvents to characterize the mechanism of reactions. The energy consumption using 2-(ethylamino)ethanol (EMEA) water-lean amine solvent and aqueous monoethanolamine (MEA) solution was tested and compared on lab-scale, and further a comprehensive evaluation in a bench-scale pilot plant has been performed; It was found that the regeneration efficiency of the solution was reduced by approximately 10% when the water content was 10 wt%. The addition of PZ can recover the regeneration efficiency of the solvent to 94.2%. And its energy consumption was reduced by about 45% compared to the aqueous MEA solution in a 72-hour continuous absorption-desorption experiment. The results demonstrated that the aqueous PZ solution could improve the regeneration efficiency by involving in the proton transfer process. This work has proven that the blend of water-lean amine solvent and PZ is a novel, energy-efficient absorbent for CO 2 capture.
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高影响因子
ENERGY & FUELS
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2025
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IF 5.3
Qing Sun,Qingqiao Zhao,Lifang Zhang,Fengjun Ming,Weidong Zhang
Water lean solvents have received growing attention for CO2 capture due to their low solvent evaporation and potential for energy saving. The previous study mainly focused on the organic diluent selection and paid less efforts on the amine effect. In this study, 11 types of amines with representative structures were selected to explore the effect of amine on CO2 loading and CO2 distribution with poly(ethylene glycol) dimethyl ether (NHD) as organic diluent. Based on the cyclic loading and reaction heat comparison, N-ethylethanolamine (EAE) was selected and the EAE/NHD water lean solvent was constructed. The liquid–liquid phase separation was found in the EAE/NHD/H2O system with more than 95% CO2 concentrated in the lower phase, which yielded high cyclic loading and benefited regeneration energy consumption. The water content effect was further investigated in terms of CO2 cyclic loading and phase separation behaviors, suggesting that EAE/NHD/H2O with a mass ratio of 3:6:1 exhibited the excellent performance of 3.03 mol·kg–1 cyclic loading and 2.27 GJ·t–1 CO2 regeneration energy consumption. 13C NMR and quantum chemistry calculations were conducted to explain the reaction route and phase change mechanism. The large difference between the ion–dipole interaction of ion–H2O and the molecule–molecular interaction of ion-NHD was regarded as the main reason for phase separation. The long-term tests indicated the cycling stability and low corrosivity of EAE/NHD/H2O, as exhibited by the stable CO2 cyclic loading during 8 runs of absorption–desorption and lower corrosivity rate of carbon steel than 30 wt % MEA aqueous solution.
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