JOURNAL OF MOLECULAR LIQUIDS
·
2018
·
IF 4.513
Bing Liu,Su Wang,Yongzhong Jia,Wenbo Zhu,Quanyou Zhang,Xingquan Wang,Ying Yao,Yan Jing
A green and efficient ionic liquid-anisole extraction system was employed for the separation of lithium isotopes by comparing 4‑aminobenzo‑15‑crown‑5 (4‑NH 2 ‑B15C5), 4‑nitrobenzo‑15‑crown‑5 (4‑NO 2 ‑B15C5) and benzo‑15‑crown‑5 (B15C5) extraction agents. The results of the effects of crown ether substituents, crown ether concentration and lithium salt anion on solvent extraction indicated that the molar ratio of crown ether and lithium ion complex is 2:1 and the order of the extraction efficiency in three extraction agents was 4‑NH 2 ‑B15C5 > B15C5 > 4‑NO 2 ‑B15C5. Furthermore, the single-stage separation factor α for 6 Li/ 7 Li obtained in present work was 1.032 and maximum abundance of 6 Li in organic phase was reached 7.762% in the extraction system of LiI/4‑NO 2 ‑B15C5‑ILs.
研究领域:
化学
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材料科学
✓ 已验证
产品关联
DOI
高影响因子
JOURNAL OF MOLECULAR LIQUIDS
·
2022
·
IF 6.633
Ying Wang,Bowen Hu,Qing Li,Yijie Wu,Xintong Shang,Pinghua Yang,Yimin Cai,Lihua Yuan,Wen Feng
A challenge in nuclear waste remediation is the construction of extraction systems with exceptional stability and remarkable selectivity under harsh conditions, to achieve efficient uranium separation from nuclear wastewater. In this work, two novel N, O-hybrid extractants, L1 and L2 attaching two or one pyrrolidone groups to the phenanthroline skeleton were synthesized and applied in uranium extraction. Solvent extraction tests showed that these ligands in 3-nitrobenzotrifluoride can extract uranium with fast kinetics, high selectivity over twelve competing ions, and facile stripping. Slope analysis indicated that each uranyl ion binds to one ligand during extraction, and the extraction conforms to the cation exchange mechanism. The effect of temperature on uranium extraction was also carried out to determine the thermodynamic parameters. Notably, outstanding radiation stability was demonstrated for these extractants even after being exposed to 500 kGy γ ray irradiation. In addition, NMR titration and DFT calculations were performed to understand the complexation behaviors between ligands and uranyl ions. This study reveals the potential of these two phenanthroline-based extractants for the use in uranium separation from nuclear wastewater.
研究领域:
核化学与化工
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环境科学
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计算化学
✓ 已验证
DOI
高影响因子
JOURNAL OF CHEMICAL THERMODYNAMICS
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2022
·
IF 3.269
Mai Han,Mingyi Xu,Yufan Pang,Jingwei Cao,Anle Zhang,Yuxin Wang,Jiajun Wei,Yujian Song,Qingsong Li
Ethyl acrylate (EA) has a wide range of uses, providing convenience for industrial production and daily life. The production process often produces water by-products, so this work selects four commonly used alcohols (1-pentanol, 1-hexanol, 1-heptanol, and 1-octanol) as extractants to explore the liquid–liquid equilibrium (LLE) of water + EA + extractants. Through the analysis of partition coefficient (D), and separation factor (S), it is found that the data of all systems are>1. At the same time, the RMSD% and AAD% calculated by the regression of thermodynamic models (NRTL and UNIQUAC) are both less than 1, indicating that all four alkyl alcohols can separate EA from aqueous solutions well, and 1-octanol has the best effect. Furthermore, the consistency of the LLE data is demonstrated using MATLAB tools.
研究领域:
化学工程
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热力学
✓ 已验证
产品关联
DOI
高影响因子
SEPARATION AND PURIFICATION TECHNOLOGY
·
2025
·
IF 9
Xintong Li,Xiaoya Li,Xin Ma,Zhanfang Cao,Hong Zhong,Shuai Wang
Manganese is a critical metal with widespread applications. The increasing demand for manganese, driven by the rapid growth of the electric vehicle and new energy sectors, has underscored the need for efficient separation and purification technologies, particularly from low-grade ores with high content of impurities. This study applies machine learning (ML) −driven quantitative structure–activity relationship (QSAR) modeling to investigate the Mn 2+ and Mg 2+ separation performance of 14 extractants. Key molecular descriptors were identified through principal component analysis and clustering heatmap method, and QSAR models were developed using ordinary least squares, nonlinear model, artificial neural network, random forest, and extreme gradient boosting (XGBoost) tree. The XGBoost model exhibited superior predictive accuracy for Mn 2+ and Mg 2+ extraction efficiencies and Mn 2+ /Mg 2+ separation selectivity. Feature importance analysis revealed that molecular properties related to hydrophilicity, electronic characteristics, and steric hindrance, as reflected by descriptors such as Clog P, OAV, Nonpolar S, VIP, Max P, and EI, play decisive roles in governing extraction efficiency and separation performance. Further NCI analysis demonstrated that the C–OH group of one α -hydroxyalkyl phosphinic acid ( α -HA) molecule forms a hydrogen bond with the C–OH group of another α -HA molecule, which likely accounts for the tendency of α -HA molecules to form dimers during solvent extraction. This interaction modulates the spatial arrangement of P–OH and P=O groups, enhancing both Mn 2+ extraction efficiency and Mn 2+ /Mg 2+ separation selectivity. These findings underscore the value of ML-driven QSAR modeling in predicting extractant performance, offering new mechanistic insights into Mn 2+ /Mg 2+ separation, and informing the development of novel extractants.
研究领域:
化学工程
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材料科学
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环境科学
✓ 已验证
产品关联
DOI
高影响因子
MACROMOLECULAR CHEMISTRY AND PHYSICS
·
2023
·Vol. 224
·期 11
·2300002
·
IF 2.5
Chen Dong,Jing Gao,Yunting Zhao,TianTian Ma,Yongjun He
The recovery of indium from impregnating resins in water is usually limited by the poor bonding of the extractant to the carrier resin. Pickering emulsion hydrogels (PEHGs) encapsulating extractant bis(2-ethylhexyl) phosphate are prepared by oil-in-water Pickering emulsions polymerization method using polyvinyl alcohol and sodium alginate as continuous phases and nano-SiO 2 and alkylphenol ethoxylates-10 (OP-10) as emulsifiers. PEHGs are used to recover trivalent In(III) from water to study its encapsulation and adsorption properties. Pickering emulsions are characterized by optical microscopy. PEHGs are characterized by Fourier transform infrared spectrometer and scanning electron microscopy. The results showed that the stabilization time of Pickering emulsions improved from 3 min to ≈14 days after the addition of 5 wt.% of OP-10. The internal structure of 4 -Pickering emulsion hydrogels ( 4 -PEHGs) prepared from Pickering emulsions co-stabilized by nano-SiO 2 and OP-10 is changed from core-shell to honeycomb structure and no oil phase leakage occurred. In(III) adsorption is carried out on 4 -PEHGs. The results showed that the maximum adsorption of In(III) in water by 4 -PEHGs is 18.03 mg g −1 . The adsorption process of In(III) is controlled by chemisorption. This study showed that 4 -PEHGs can be used as an effective adsorbent for the recovery of indium in water.
研究领域:
化学工程
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材料科学
✓ 已验证
产品关联
DOI
高影响因子
HYDROMETALLURGY
·
2025
·
IF 5.3
Xinyuan Lan,Rong Liu,Liyan Xue,Minzhong Huang,Meiying Xie,Hongye Wang,Hao Zhang,Fan Yang
The efficient recovery of lithium (Li + ) from salt lakes has become a pressing issue for the lithium battery industry. In this study, an electrochemically enhanced extraction system with industrialization potential was developed, which increased the separation efficiency of Li + by coupling an electric field with ionic liquid extraction. A promising 1-butyl-3-methylimidazolium-2-thiophenecarbonyl trifluoroacetone ([C 4 mim][TTA]) extraction agent was developed. Furthermore, the functionalized ionic liquid (FIL) was dissolved in an ionic liquid mixture to further increase its extraction capacity. The separation performance and mechanisms of Li + through [C 4 mim][TTA] liquid–liquid extraction were investigated. The results showed that within a pH range greater than 2, [C 4 mim][TTA] had a very high separation efficiency for Li + . Additionally, liquid–liquid extraction in solutions simulating the concentrations of Li + , Na + , and K + found in salt lakes revealed very high Li + separation coefficients of β Li/K = 3746 and β Li/Na = 1287. Under an applied electric field of 2.4 V, the electrochemically enhanced extraction system achieved separation coefficients of β Li/K = 6678 and β Li/Na = 3068 within 2 h, which represent the highest reported values to date. In this study, a novel electrochemically coupled ionic liquid extraction system with potential for industrialization is proposed.
研究领域:
化学工程
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材料科学
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电化学
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环境科学
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工业化学
✓ 已验证
产品关联
DOI
高影响因子
SEPARATION AND PURIFICATION TECHNOLOGY
·
2024
·
IF 8.1
Xiaoyang Hu,Haowei Xu,Zhuang Wang,Qiao Yu,Xuanhao Huang,Xingyue Liu,Qiang Tian,Songdong Ding
Diglycolamide (DGA) extractants, especially TODGA ( N , N , N′ , N′ ‐tetraoctyl diglycolamide), show significant potential in high-level liquid waste treatment. However, their limited loading capacity for trivalent lanthanides (Lns) and actinides (Ans) often leads to detrimental emulsification or third phase formation, hindering their practical applicability. Herein, TOOEDGA ( N , N , N’ , N’ -tetra(2-(octyloxy)ethyl)diglycolamide), a new DGA extractant with long C-chains combined with ether bonds, exhibits superior extraction performance towards Am 3+ and Eu 3+ in HNO 3 solution compared to TODGA. The factors influencing the formation of a third phase during the extraction process were investigated. It has been shown that TOOEDGA has a greater loading capacity for Lns 3+ and can tolerate a wider concentration range of HNO 3 . Additionally, the aggregation behavior of DGAs in n -dodecane was also studied using dynamic light scattering and small-angle X-ray scattering, revealing that the reverse micelles formed by TOOEDGA are more stable than those formed by TODGA. Moreover, under similar conditions, TOOEDGA molecules do not aggregate further to generate rod-like reverse micelle aggregates like those observed with TODGA, which is beneficial to inhibit the formation of the third phase. Consequently, our results suggest that TOOEDGA holds great promise as an alternative DGA extractant for practical industrial applications.
研究领域:
化学
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核化学与放射化学
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环境科学
✓ 已验证
产品关联
DOI
高影响因子
MINERALS ENGINEERING
·
2020
·
IF 3.795
Zhigang Zhao,Peng Chen,Fan Yang,Qiuxia Liao,Yang Zhang,Panpan Zhao,Wanghuan Guo,Ruixi Bai,Chunqing Cai
The type of diglycolamic acid extractant N , N -di-2-ethylhexyldiglycolamic acid (D2EHDGAA) was examined for selective extraction and separation of Au(III) in acidic chloride solutions containing Pd(II), Pt(IV), Rh(III), and Cu(II). The separation factor β Au/Pt = 959.3 was observed in 7 M hydrochloric acid. The extraction of Au(III) was quick, and extraction equilibrium was reached in less than 5 min. The n -dodecane and kerosene diluents had a notable effect on the extraction of Au(III) with the D2EHDGAA, and the D2EHDGAA had excellent capacity in n -dodecane and kerosene. However, the selectivity coefficient of Au(III) and Pd(II) was better in n -dodecane (β Au/Pd = 1070) than in kerosene (β Au / Pd < 0.1) of 4 M hydrochloric acid. The extraction mechanisms of the Au(III) and Pt(IV) were investigated, and the results suggest that one metals ion is extracted with two and one extractants in 1 M HCl concentration. The D2EHDGAA-based n -dodecane extracting phase was easily activated using a low-concentration thiourea aqueous solution (0.01 M). The recyclability of D2EHDGAA for five cycles was investigated, and its efficiency decreased less than 4%.
研究领域:
化学工程
·
环境科学
✓ 已验证
DOI
高影响因子
RSC Advances
·
2021
·Vol. 12
·期 2
·790-797
·
IF 3.361
Yaoyang Liu,Chuang Zhao,Zhibin Liu,Sheng Liu,Yu Zhou,Caishan Jiao,Meng Zhang,Yang Gao,Hui He,Shaowen Zhang
Two isomeric diglycolamide (DGA) extractants, N,N′-dimethyl-N,N′-dioctyl diglycolamide (LI) and N,N-dimethyl-N′,N′-dioctyl diglycolamide (LII), were used to perform a comparative study on the extraction performances towards several lanthanides by extraction experiments and theoretical calculations. The experimental results show that both LI and LII show a positive sequence on the extraction of lanthanides, and LI exhibits the higher complex ability with these lanthanides than LII, except for La and Ce. Slope analysis shows that 1:2 or 1:3 complexes are formed between the two ligands and the metal ions. The geometrical structures of the complexes were optimized in the gas phase by density functional theory (DFT) on the basis of complex compositions. The results of bond lengths, MBOs and topological analysis indicated that the electrostatic interaction between metal ions and two amide O atoms in the LII ligand is not as homogeneous as in LI, and this inhomogeneity is likely to be related to the poor extraction performance of LII.
研究领域:
化学
·
理论计算
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产品关联
DOI
PubMed
高影响因子
JOURNAL OF SEPARATION SCIENCE
·
2020
·Vol. 43
·期 15
·3129-3135
·
IF 2.878
Xin Di,Xiaojun Zhao,Xiaoli Guo
A green extractant, hydrophobic deep eutectic solvent was first introduced for extraction of tetracycline, oxytetracycline, and chlortetracycline from environmental water samples prior to high-performance liquid chromatography determination. Deep eutectic solvents consist of methyltrioctylammonium chloride and various medium-chain alcohols/acids, and are easy in preparation, low cost and toxicity, desirably biodegradable, and biocompatible. The overall time required for sample preparation was 6 min and the volume of organic solvent used for extraction was only 400 µL. Under the optimized extraction condition, the present method yielded low limit of detection (0.5–2.0 ng/mL), acceptable precision (relative standard deviations < 9.7%), good linearity from 2.0 to 500 ng/mL ( r 2 ≥ 0.9991). This optimized procedure was applied for determination of tetracyclines in different water samples with desirable spiked recovery ranged from 77.5 to 87.6%. There is, therefore, a great potential to further expand application of the method for investigation of other ultra-trace analyte(s) in environmental matrixes.
研究领域:
分析化学
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环境科学
✓ 已验证
产品关联
DOI
PubMed
高影响因子
Journal of Cleaner Production
·
2018
·
IF 5.651
Jiawei Wen,Pengge Ning,Hongbin Cao,Zhi Sun,Yi Zhang
The recovery of polyoxovanadate acid compounds has got increasing attention because of both sustainable necessities and material applications. In this paper, we proposed a recovery strategy of ammonium substituted polyoxovanadate acid compounds (ASPOVC) by solvent extraction from leaching/aqueous solution. It is noted that the state of the compound (solid or liquid) is possibly controllable by the type of amines (branched or linear amine chains), enlarging application fields of these compounds. Subsequently, the compounds were characterized by comprehensive techniques, from which the molecular structures with hydrogen bonds were described. The solubility parameters were calculated, and solid ASPOVC was the biggest among the four compounds, explaining formation reasons of different states. The amine extractants performed well-efficiency (more than 98.5%) for reutilization. This approach is believed to be promised for a sustainable recovery for high-value vanadium materials from waste water.
研究领域:
材料化学
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环境科学
·
可持续发展
✓ 已验证
产品关联
DOI
高影响因子
JOURNAL OF CHEMICAL AND ENGINEERING DATA
·
2023
·
IF 2.6
Jiajun Wei,Lingxiao Yi,Wang Yuxin,Erkang Li,Zhen Yujie,Fangyu Zhang,Xinlei Niu,Jinshan Wang,Deming Zhao,Yingmin Yu
Liquid–liquid equilibrium (LLE) measurements were conducted at a temperature of 298.2 K and a pressure of 101.3 kPa for the ternary system consisting of 1,3-propanediol, 2-propyl-1-heptanol, and various extractants (n-hexane, vinyl acetate, ethyl benzene, and water). By calculating the distribution constant (D) and selectivity (S) in each system, the ability of four extractants to separate the mixture of 1,3-propanediol and 2-propyl-1-heptanol was compared. Furthermore, the LLE data underwent regression using thermodynamic models NRTL and UNIQUAC. The degree of deviation between the experimental data and regression data was assessed using the root mean square deviation (RMSD) and the average absolute deviation (AAD). The RMSD values for the NRTL and UNIQUAC models were below 0.74 and 0.76%, respectively, with corresponding AAD values below 0.39 and 0.60%. These results indicate a robust concurrence between the experimental data and the outcomes of the regression analysis. Finally, the GUI-MATLAB tool was employed to validate the coherence of the experimental data with the regression parameters. σ-Profiles are used to discuss the interactions of substances in this work. The results showed that the D and S of all four systems were greater than 1, indicating that all four extractants were effective in separating 1,3-propanediol and 2-propyl-1-heptanol. The order of their extraction capacity was water ≥ hexane ≥ ethyl benzene ≥ vinyl acetate.
研究领域:
化学工程
·
热力学
✓ 已验证
产品关联
DOI
高影响因子
危险品化学品经营许可证（带存储）