NEW JOURNAL OF CHEMISTRY
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2024
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IF 2.7
Zhiyu Zhao,Xiaolong Zhou,Qingfen Meng,Pengrui Zhang,Fei Shao,Xiao Li,Huangda Li,Lianjing Mao,Tianyu Zheng,Yan Jing,Yongzhong Jia,Shuxuan Wang,Jinhe Sun
High abundance 6Li and 7Li are essential materials for the nuclear industry. In this article, the lithium isotope separation effect and lithium-ion transport of a “lithium salt aqueous solution (anolyte)|crown ethers–ionic liquid organic solution|ammonium chloride aqueous solution (catholyte)” electromigration system with B12C4, B15C5 and B18C6 as phase transfer catalysts were investigated systematically. The results show that separation factors can reach 1.028 (B12C4), 1.024 (B15C5) and 1.011 (B18C6), respectively, when LiCl solution is used as the anolyte. The separation effect mainly originated from interfaces between anolytes and organic solutions, and was less affected by an electric field. The separation effect between organic solution and catholytes was greatly affected by the electric field for B12C4 and B15C5 systems, which converted from 7Li-enrichment to 6Li-enrichment with increased voltage. For the B18C6 system it was less affected. Furthermore, lithium ion transport in B12C4, B15C5 and B18C6 systems was greatly promoted by the electric field, with the Li+ concentration in catholytes of B12C4, B15C5 and B18C6 systems increased from 0.088 mg L−1, 0.286 mg L−1 and 0.778 mg L−1 to 8.321 mg L−1, 7.422 mg L−1 and 4.631 mg L−1 respectively as the voltage increased from 2 V to 16 V. The B12C4 system has been confirmed as the optimal solution considering both the Li+ transport and isotope separation effect.
研究领域:
核化学
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物理化学
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材料科学
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高影响因子
NEW JOURNAL OF CHEMISTRY
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2025
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IF 2.5
Lianjing Mao,Xiao Li,Pengrui Zhang,Wei Sun,Tianyu Zheng,Chunsen Ye,Jinhe Sun
Lithium isotope separation is pivotal for advancing nuclear energy applications. Crown ethers (CEs) offer unique advantages due to their selective coordination capabilities. However, the influence of side group modifications on CE performance remains unclear, hindering the development of tailored extractants. This study systematically investigates the extraction and separation of lithium isotopes using B15C5 derivatives through experimental and DFT approaches. Results reveal that electronic effects significantly dictate extraction and separation performance: strong electron-donating derivatives (e.g., 4-NH2-B15C5: χM=2.52 eV, E=24.94%, α=1.022) outperform those with electron-withdrawing groups (e.g., 4-NO2-B15C5: χM =4.34 eV, E=21.75%, α=1.016). Moreover, hydrophilic/hydrophobic properties also play a critical role. 4-CH2OH-B15C5’s high hydrophilicity (log P=-2.51, S=6.85 mg L⁻¹) results in a low separation factor (α=1.007). Notably, 4-tBu-B15C5, combining strong electron-donating (χM =2.86 eV) and hydrophobic (log P=0.397, S=0.503 mg L⁻¹) characteristics, achieves optimal performance (E=23.41%, α=1.026). DFT calculations confirm that electron-donating groups enhance the Mayer bond order of neighboring O atoms and increase the charge density at the ether ring center, thereby improving Li+ coordination. Conversely, electron-withdrawing groups weaken this process. This study elucidates the extraction mechanisms of B15C5 derivatives, providing a theoretical foundation for designing efficient CEs for lithium isotope separation and advancing their application in nuclear energy.
研究领域:
化学
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核能科学
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高影响因子
FUSION ENGINEERING AND DESIGN
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2026
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IF 1.9
Tianyu Zheng,Chunsen Ye,Zhengyue Wang,Guannan Chen,Yu Qiu,Pengrui Zhang,Wei Sun,Jinhe Sun
The density, viscosity and conductivity of the B15C5-ILs system was presented. • Mathematical models based on physical data were established and discussed. • The variation trend depended on water and Li + content was investigated. The separation of lithium isotopes is of paramount importance for fusion energy systems, where 6 Li is indispensable for tritium breeding and 7 Li serves as a coolant in reactor blankets. Crown ethers have emerged as promising chelating agents for lithium isotope separation; however, the lack of fundamental physicochemical data for these extraction systems has posed significant challenges to process optimization and engineering scale-up. This study presents a systematic investigation of the density, viscosity, and electrical conductivity of the B15C5-[EMIm][NTf 2 ]-anisole system at room temperature, which is pertinent to Li + extraction and isotopic separation. Empirical correlations were established to describe the composition dependence of these properties. Additionally, the effects of introducing H 2 O and Li + into the organic phase on the physicochemical properties were examined. The findings provide critical foundational data and insights necessary for the rational design and optimization of lithium isotope separation systems and processes in fusion engineering. Download: Download high-res image (201KB) Download: Download full-size image
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高影响因子
JOURNAL OF MOLECULAR LIQUIDS
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2022
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IF 6.633
Lianjing Mao,Pengrui Zhang,Huiqun Ju,Xiaolong Zhou,Zixuan Xue,Ciming Wang,Jinhe Sun,Yongzhong Jia,Fei Shao,Xingwu Zou,Bo Li,Yan Jing
The evolution of the nuclear industry is inextricably linked to lithium isotopes. With its distinct benefits, the solvent extraction approach is projected to achieve industrial separation of lithium isotopes. However, the lack of studies on the extraction process conditions and mechanisms has limited the development of multi-stage processes. In this paper, based on the 4-NO 2 -B15C5/[BMIm][NTf 2 ] system, the process conditions and extraction mechanism of the system were investigated by thermodynamic and kinetic studies. The results indicate that lithium isotope separation is a spontaneous exothermic process controlled by diffusion. In addition, DFT calculations show that the binding sites of crown ether and Li + are located in the coronary heart of crown ether, and electrostatic and van der Waals forces mainly exist between them. On this basis, a 10-stage cross-flow extraction experiment was carried out using crown ether as the extractant. The aqueous phase feed solution is fully utilized, and the 7 Li abundance is increased to 93.29 %. In summary, this research provides a foundation for the development of synergistic multi-stage extraction techniques in the future.
研究领域:
化学工程
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核工业技术
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DOI
高影响因子
NEW JOURNAL OF CHEMISTRY
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2022
·Vol. 47
·期 4
·1916-1924
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IF 3.925
Xiaolong Zhou,Pengrui Zhang,Qingfen Meng,Lianjing Mao,Huiqun Ju,Fei Shao,Yan Jing,Yongzhong Jia,Shuxuan Wang,Xingwu Zou,Jinhe Sun
Lithium isotopes play an essential role in the nuclear industry. The extraction method with crown ethers as extractants is considered as one of the promising methods for lithium isotope separation with good application prospects. However, the effects of crown ethers with different cavity sizes in the system containing ionic liquids on isotope enrichment in organic solution/aqueous solution have not been systematically investigated. With three typical benzo crown ethers (B12C4, B15C5 and B18C6) as extractants and the mixtures of ionic liquids and anisole as solvents, the effect of crown ethers on the extraction rate of Li+, separation factor and δ7Li variation in organic solution/aqueous solution was investigated with varied solvent composition, lithium salts and concentration of crown ethers. The order of extraction rates was: B15C5 (40.88%) > B18C6 (38.12%) > B12C4 (23.35%) and the order of isotope separation factors was: B15C5 (1.024) > B12C4 (1.023) > B18C6 (1.010) under optimized conditions. The δ7Li in aqueous solution of B15C5 systems was higher than those corresponding to the B12C4 and B18C6 system while the δ7Li in the organic solution of the B12C4 systems was more negative than those corresponding to the B15C5 and B18C6 system. So, B12C4 systems achieve better 6Li enrichment in the organic phase and B15C5 systems achieve better 7Li enrichment in the aqueous phase.
研究领域:
化学
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核工程
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材料科学
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高影响因子
SEPARATION AND PURIFICATION TECHNOLOGY
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2023
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IF 8.6
Hongshan Wang,Guangyong Zeng,Zhaomei Yang,Xi Chen,Ludan Wang,Yuan Xiang,Xiangdong Zeng,Zhenhua Feng,Binbin Tang,Xudong Yu,Ying Zeng
With the consumption of lithium resources increasing year by year, the investigation of high-performance salt lake lithium extraction technology is extremely important. In order to effectively separate Mg 2+ and Li + from brine, a novel charge-positive nanofiltration (NF) membrane with high permeability and excellent Mg 2+ /Li + separation factor was designed by interfacial polymerization (IP) in this work. A B15C5-MX-NF membrane was fabricated by blending hydrophilic two-dimensional (2D) MXene nanosheets into a PES membrane substrate to enhance the permeability, followed by the modification of polyamide (PA) layer with a crown ether molecule (Benzo-15-crown-5) to optimize the surface properties of membrane. The PA layer thickness was effectively reduced (58 nm) due to the enhancement in the interaction between the substrate membrane and PEI by the incorporation of MXene, while the addition of B15C5 provided additional Li + permeation channels. The B15C5-MX-NF membrane exhibited excellent permeability (16.1 L·m −2 ·h −1 ·bar −1 ) and superior selectivity for Mg 2+ /Li + ( S Li, Mg of 15.8) under the dual optimization of membrane substrate and PA layer. In addition, it was demonstrated by molecular dynamics (MD) simulations that the B15C5 molecules in the B15C5-MX-NF membranes had a specific recognition ability of Li + to allow its preferential permeation, thereby enhancing the Mg 2+ /Li + selectivity of the membranes. This study provides a new idea for the preparation of NF membranes for efficient Mg 2+ /Li + separation.
研究领域:
材料科学
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化学工程
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膜技术
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环境科学
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高影响因子
JOURNAL OF MOLECULAR LIQUIDS
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2024
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IF 5.3
Lianjing Mao,Xiaolong Zhou,Tianyu Zheng,Xiao Li,Xiufang Wang,Zhiyu Zhao,Wei Sun,Pengrui Zhang,Jinhe Sun
The metal ion extraction process is usually accompanied by the removal of coordinated water molecules and the change of water content in the extraction phase. However, hierarchical methodologies on water research are incredibly sparse, restricting a thorough knowledge of the extraction mechanism. It was clarified the diversity of water occurrence forms in the extraction phase and quantitative relationship between water, Li + and crown ether based on the (B12C4/B15C5/B18C6-[EMIm][NTf 2 ])-LiNTf 2 solvent extraction system. While the complexation mechanism between hydrated Li + and crown ether was discussed carefully. Firstly, it demonstrated that the water content of the extraction phase: B18C6 > B15C5 > B12C4. Secondly, the water in the extraction phase is mainly collected by solvent and crown ether, with the latter catching water primarily via Li + coordination and weak interactions. In the end, focusing on the water captured by the crown ether through Li + coordination, slope analysis and DFT calculations found that Li (H 2 O) 4 + was removed three water molecules to complex with B12C4 or B15C5, whereas B18C6 tends to remove two water molecules. It is precious for a thorough grasp of the mechanism and procedure of Li + extraction by crown ethers. What’s more, it offers novel strategies for investigating water content and transfer mechanisms in extraction systems.
研究领域:
化学
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材料科学
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理论研究
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高影响因子
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