SEPARATION AND PURIFICATION TECHNOLOGY
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2025
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IF 9
Jielong Zhou,Bo Wang,Xiandong Hao,Zhiyong Xu,Wenbo Zhao
In the absorption of SO 2 , it is very important for industrial applications to set up mathematical models to describe the changes in physical–chemical properties and the absorption dynamic processes. However, most of the research only pays attention to the molecular structure of absorbent. Few works have investigated the mathematical models in the absorption processes. To make up for the research gap in this area, a binary absorbent composed of 2-(dibutylamino)ethanol (DBEA) and 1-Ethyl-3-methylimidazolium trifluoromethanesulfonate ([Emim][TfO]) were developed for SO 2 capture in the present work. A systematic mathematical model was proposed to accurately predict the viscosity and density of the absorption system with different absorbent compositions, SO 2 absorption capacities, and temperatures. Additionally, the absorption kinetics and thermodynamics were analyzed across varying absorbent compositions and SO 2 -containing gas flows, enabling dynamic prediction of the absorption process. Furthermore, the correlation between desorption residuals and desorption temperature was investigated, along with an analysis of SO 2 /CO 2 selectivity and the cyclic SO 2 absorption performance. This work provides a robust framework for rational screening and design of alkanolamine-IL hybrid solvents, bridging the gap between experimentally empirical solvent development and theoretical prediction.
研究领域:
化学工程
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环境科学
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产品关联
DOI
高影响因子
JOURNAL OF ORGANOMETALLIC CHEMISTRY
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2014
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IF 2.302
An-Lin Zhang,Li-Wen Yang,Nian-Fa Yang,Jing Zhang
Several C 3 -symmetric trialkanolamines can be efficiently obtained via molecular sieve-assisted epoxide ring opening with ammonia in high yields (up to 90%) and regioselectivity up to 100%. These trialkanolamines were effective for the asymmetric alkynylation of aldehydes and the propargyl alcohols were obtained in high yields (up to 92%) and high enantiomeric excesses (up to 95%). The 1 H NMR spectra support that there could be a complex mixture of polynuclear Ti(IV)-based species form from the interaction of Ti(IV) with ligand.
研究领域:
有机化学
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催化化学
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产品关联
DOI
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.
研究领域:
化学工程
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物理化学
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产品关联
DOI
高影响因子
SEPARATION AND PURIFICATION TECHNOLOGY
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2022
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IF 9.136
Mengjie Chen,Hongxia Gao,Teerawat Sema,Min Xiao,Qiang Sun,Zhiwu Liang
Several alkanolamines (1A2P, 2A1P, AMP, MAE, EAE, and IPAE) were selected to study the steric hindrance effect on reaction kinetics between amine and CO 2 in ethanol and aqueous solutions. Pseudo first-order reaction rate constant k 0 was measured by the stopped-flow apparatus. Zwitterion mechanism was applied to describe the reaction and the k 0 was well fitted by the corresponding kinetic model with average absolute relative deviation (AARD) in a range of 1.08%-3.89%. Apparent second-order reaction rate constant K A revealed that the reaction rate is simultaneously controlled by steric hindrance and pKa of amines. Additional alkyl groups increase the steric hindrance of amines and accelerate the decomposition of zwitterions. As a result, the reaction rate decreases with stronger steric hindrance effect. The larger pKa is conducive to a better proton receiving of amine. This leads to an acceleration of the deprotonation reaction of zwitterion intermediate. In addition, the relative influence of steric hindrance and pKa on the reaction kinetics is also related to the solvent environment.
研究领域:
化学工程
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环境科学
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DOI
高影响因子
RSC Advances
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2021
·Vol. 11
·期 18
·10929-10934
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IF 3.361
Chuangui Cao,Zhihui Zhao,Yong Qi,Hui Peng,Kuanjun Fang,Ruyi Xie,Weichao Chen
The aggregation of dyes is a common phenomenon in solutions, particularly concentrated solutions, which seriously affects the dyeing and printing processes. In this study, the effects of alkylamine solvents on the reactive dye aggregation behavior in highly concentrated solutions was studied. Typical cases were conducted with two slightly toxic and environmentally friendly solvents, namely diethanolamine (DEA) and triethanolamine (TEA), and two reactive dyes, namely C. I. Reactive Red 218 (R-218) and C. I. Reactive Orange 13 (O-13). Aggregation states were studied by ultraviolet-visible (UV-Vis) absorption spectroscopy, Gaussian-peak-fitting method and fluorescence spectroscopy. The results showed that both the additives DEA and TEA could reduce the dye aggregation because the solvents, DEA and TEA, can break the iceberg structure and allow easy entry of the molecules into the dye aggregates. Also, the disaggregation caused by DEA was higher as compared with TEA, which may be caused by the weaker hydrogen bond and the relatively smaller steric hindrance effects of DEA. The schematic of disaggregation between R-218 and DEA was also discussed. For R-218, the dimers were disaggregated to monomer, while the higher-ordered aggregates were disaggregated to trimers and dimers for O-13. Moreover, physical properties such as viscosity and surface tension of the solutions were measured. This investigation is instructive for the further dyeing progress with organic bases in the textile industries.
研究领域:
化学工程
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纺织科学
✓ 已验证
DOI
高影响因子
International Journal of Greenhouse Gas Control
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2016
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IF 4.064
Weichuan Qian,Yingjie Xu,Bin Xie,Yin Ge,Hegang Shu
Six dual functional ionic liquids (DFILs) with metal chelate cation and pyrazolide anion were synthesized by reacting alkanolamine with pyrazole sodium salt, and characterized by 1 H NMR, 13 C NMR, FT-IR, and ESI–MS spectra. Thermal decomposition temperature and viscosity were determined. The behavior of CO 2 absorption for these DFILs was evaluated at T = 353.2 K. Absorption mechanism and the influence of temperature and N 2 on the CO 2 absorption were investigated. The results show that the CO 2 capacity of the DFILs consisting of alkanolamine with pyrazole sodium in a molar ratio of 2:1 is larger than that of the DFILs in a molar ratio of 1:1. The CO 2 absorption mechanism obtained from FT-IR and 13 C NMR spectra indicates that CO 2 could react with a quasi-aza-crown ether cation and pyrazolide anion simultaneously, resulting in improved capacity of CO 2 absorption. According to the saturated CO 2 absorption capacity at 333.2–363.2 K and van’t Hoff’s equation, the enthalpy of CO 2 absorption for three DFILs is derived. Furthermore, the DFILs were carried out for five cycles with no obvious loss in the absorption capacity of CO 2 , indicating that these DFILs may be good candidates for efficient CO 2 capture at relatively high temperature.
研究领域:
化学工程
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环境科学
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产品关联
DOI
高影响因子
JOURNAL OF MOLECULAR LIQUIDS
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2021
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IF 6.165
Zelalem Anja Zema,Tingting Chen,Hegang Shu,Yingjie Xu
To reveal the effects of the alkyl substitutions at alpha (α) or beta (β) position adjacent to amino group of primary alkanolamine ligands on CO 2 absorption and physicochemical properties of metal chelated dual functional ionic liquids (DFILs), four DFILs were prepared by reacting potassium imidazole salt (KIm) with alkanolamine ligands, including 2-amino-2-methyl-1-propanol (AMP), 2-amino-1-butanol (AMB), DL-1-amino-2-propanol (DLAMP), and monoethanolamine (MEA). CO 2 absorption behavior and mechanism of DFILs were studied, and density ( ρ ), speed of sound ( u ), and viscosity ( η ) of DFILs were measured to correlate with the CO 2 absorption performance. DFT calculations were employed to explore the influence of the interactions between K + and alkanolamine on the CO 2 absorption and physicochemical properties of DFILs. The results show that CO 2 capacity at 333.2 K is as follows: [K(AMP) 2 ][Im] > [K(AMB) 2 ][Im] > [K(DLAMP) 2 ][Im] > [K(MEA) 2 ][Im], indicating that the introduction of alkyl group at α or β position of alkanolamines can enhance CO 2 capacity, and the effect of the α position is more significant than the β position. Both ρ and u follow the order: [K(AMP) 2 ][Im] < [K(AMB) 2 ][Im] < [K(DLAMP) 2 ][Im] < [K(MEA) 2 ][Im], while η is in the reverse order. Moreover, the saturated CO 2 capacity of DFILs has an approximately linear relation with the thermal expansion coefficient. DFT calculations show that the presence of the alkyl group at α or β position of alkanolamines reduces the Mulliken charge of N and O atom, thereby weakening the cation coordination interaction between K + with ligand, resulting in the decrease in ρ and u of DFILs. Moreover, the decrease in the Mulliken charge of N and O atom in alkanolamine leads to the increase of chelated cation-[Im] − interaction, thereby increasing η of DFILs. Consequently, [K(AMP) 2 ][Im] exhibits higher CO 2 capacity and good reversibility, due to the fact that CO 2 can react with the chelated cation and [Im] – simultaneously. The present study provides a new method for effectively regulating the performance of DFILs.
研究领域:
化学工程
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环境科学
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产品关联
DOI
高影响因子
International Journal of Greenhouse Gas Control
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2019
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IF 3.231
Hegang Shu,Yingjie Xu
A novel strategy for efficient CO 2 capture by tuning the strength of cation coordination interactions of alkali metal chelated dual functional ionic liquids (DFILs) is reported. CO 2 absorption and viscosity experiment, quantum-mechanical calculations showed that the strengthening of the coordination interactions between alkali metal ions and alkanolamine ligands of DFILs containing imidazolide anion ([Im] − ) leads to improve the stability of the cheated cation and weaken the chelated cation-anion interaction, resulting in efficient CO 2 capture capacity and reducing the viscosity of DFILs. Particularly, [K(DGA) 2 ][Im] has the stronger cation coordination interactions and lower viscosity (249.8 mPa∙s), exhibiting more efficient CO 2 capture capacity than other DFILs, with an extremely high capacity of CO 2 (∼1.37 mol/mol) in 15 min at T = 333.2 K under atmospheric pressure and good reversibility (5 recycles). Spectroscopic investigations and quantum-mechanical calculations showed that such high CO 2 capacity originates from the fact that both [K(DGA) 2 ] + and [Im] − of [K(DGA) 2 ][Im] react with CO 2 . Moreover, [Im] − reacts preferentially with CO 2 over [K(DGA) 2 ] + .
研究领域:
化学工程
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环境科学
✓ 已验证
DOI
高影响因子
MINERALS ENGINEERING
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2025
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IF 5
Panxing Zhao,Wenbao Liu,Wengang Liu,Lingyun Bao,Yanbai Shen,Stephen Butt,Yahui Zhang
Removal of quartz from hematite by reverse flotation using cationic collectors is an effective approach for iron concentrate upgrading. In this paper, three hydroxyl-containing cationic collectors, i.e., N-Dodecylethanolamine (NDEA), N-Dodecylpropanolamine (NDPA), and N-Dodecylbutanolamine (NDBA), were synthesized and characterized. The flotation performance and the structure-performance relationship of the collectors were systematically investigated by micro-flotation experiments and various surface analysis techniques. At the concentration of 20 mg/L, the flotation recoveries of quartz by NDEA, NDPA, and NDBA were 94.9 %, 93.5 %, and 93.3 %, respectively. Collectors with shorter hydroxyl-substituted carbon chains exhibited stronger collecting ability and enhanced hydrophobicity of quartz surface, as confirmed by contact angle measurements. Zeta potential measurements and molecular simulations revealed that the collectors adsorb onto the quartz surface through electrostatic and hydrogen bonding interactions. The introduced hydroxyl groups could enhance the formation of hydrogen bonds between collectors and mineral surface. However, as the carbon chain length increases, the adsorption area of a single collector on the mineral surface increases, the number of collector molecules adsorbed per unit area decrease, reducing the collecting ability of the collector for quartz. This research could provide theoretical guidance for the design of novel cationic collectors.
研究领域:
矿物加工工程
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表面化学
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产品关联
DOI
高影响因子
ACS Sustainable Chemistry & Engineering
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2023
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IF 8.4
Xiaomei Yuan,Tao Yan,Zhikun Liu,Peng Kang
Alkaline water electrolysis is one of the most promising technologies for green hydrogen production. Here, we synthesized a series of alkanolamine-modified zirconia particles by a one-pot method to construct zirconia-based composite membranes for alkaline water electrolysis. Among these membranes, the diethanolamine (DEA)-functionalized zirconia separator exhibits superior hydrophilicity with a low water contact angle of 44° and low area resistance of 0.12 Ω·cm2, which were 47 and 60%, respectively, less than that of the commercial Zirfon PERL UTP 500 separator. Conceivably, the DEA-functionalized zirconia separator presents high electrochemical performance with a current density of 1114 mA cm–2 at 2.0 V with Raney Ni as the cathode catalyst and CoMnO@CoFe layered double hydroxide (LDH) as the anode catalyst at 80 °C, closing the gap with proton exchange membrane electrolysis. In addition, the DEA-modified separator exhibits high stability for over 150 h at a high current density of 500 mA cm–2 and stable cell voltages in 30 wt % KOH at 80 °C.
研究领域:
材料科学
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电化学
·
可再生能源
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产品关联
DOI
高影响因子
JOURNAL OF MOLECULAR STRUCTURE
·
2024
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IF 4
Hua Fang,Xiumei Wang,Mengyu Li,Mengxian Huang,Yiping Zhang,Taige Zhao,Cuiling Sun,Min Xu,Wenhui Jin,Weizhu Chen,Meijuan Fang
In this study, twenty-five novel carboxylic acid DHA-alkanolamine derivatives were synthesized by the reaction of cis -docosa-4,7,10,13,16,19-hexaenoic acid-alkanolamine (DHA-AA) with various carboxylic acids, including Naproxen (S1), Ibuprofen (S2), Ferulic acid (S3), Mefenamic acid (S4), and Aspirin (S5). Their molecular structures were characterized using 1 H/ 13 C NMR and HRMS techniques. To evaluate the anti-inflammatory activities of synthesized compounds, RAW264.7 macrophage cells pretreated with or without these compounds, were stimulated by LPS, and the levels of pro-inflammatory cytokines (NO, TNF-α, IL-1β, and IL-6) were then measured by ELISA, qPCR, and Western Blot. The cell-based assays showed that compound 11 had marked anti-inflammatory activity. In addition, the molecular docking study and SPR assay demonstrated that compound 11 exhibited good Nur77-binding affinity (K D = 3.61 × 10 −6 M). Moreover, compound 11 was found to inhibit NF-κB activation in a Nur77-dependent manner. Notably, compound 11 could attenuate LPS-induced inflammation in the mouse acute lung injury (ALI) model. In conclusion, these derivatives are potential Nur77-targeting anti-inflammatory agents against versatile inflammatory and autoimmune disorders.
研究领域:
药理学
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炎症研究
·
药物化学
✓ 已验证
DOI
高影响因子
危险品化学品经营许可证（带存储）