Ao Wang, Dimitrios Toroz, Xiaofu Guo, Jie Liu, Shangming He, Liting Fei, Yingying Zhao, Shizhao Wang, Junsheng Yuan, Devis Di Tommaso, He Lin, Fei Li, Zhiyong Ji
{"title":"电场辅助纳滤对锂镁高效分离的机理研究","authors":"Ao Wang, Dimitrios Toroz, Xiaofu Guo, Jie Liu, Shangming He, Liting Fei, Yingying Zhao, Shizhao Wang, Junsheng Yuan, Devis Di Tommaso, He Lin, Fei Li, Zhiyong Ji","doi":"10.1016/j.watres.2025.124333","DOIUrl":null,"url":null,"abstract":"Lithium, a pivotal resource in the new energy sector, demands the development of efficient and energy-saving lithium-magnesium separation technologies. This study employed electric field-assisted nanofiltration (E-NF) technology to achieve efficient lithium-magnesium separation. Compared with conventional nanofiltration, at a current density of 2 mA·cm<sup>-2</sup>, the rejection rate of Li⁺ decreased from -27.4% to -32%, while that of Mg<sup>2+</sup> increased from 95.8% to 99%. The underlying molecular mechanisms were explored using operando Raman spectroscopy, X-ray scattering (XRS), and molecular dynamics (MD) simulations. Results indicate that the electric field disrupts hydrogen bonds in LiCl solutions more significantly than in MgCl<sub>2</sub> solutions, leading to a looser bulk water structure around lithium ions. XRS and Raman data show reduced peak intensities for Ow-Ow and ion-water interactions, with more pronounced effects in LiCl solutions. The decrease in Li-O and Mg-O characteristic peak intensities indicates a weakening interaction between ions and water molecules. MD simulations reveal that the electric field enhances Li⁺ dehydration and membrane permeation by reducing its coordination shells, while only slightly affecting Mg<sup>2+</sup><sub>.</sub> Overall, the electric field accelerates Li⁺ dehydration, facilitating its rapid passage through the membrane, while Mg²⁺ is retained via Donnan effects and dielectric exclusion, effectively separating Li⁺ from Mg²⁺.","PeriodicalId":443,"journal":{"name":"Water Research","volume":"41 1","pages":""},"PeriodicalIF":12.4000,"publicationDate":"2025-08-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":"{\"title\":\"Mechanistic Insights into Electric Field-Assisted Nanofiltration for Efficient Lithium-Magnesium Separation\",\"authors\":\"Ao Wang, Dimitrios Toroz, Xiaofu Guo, Jie Liu, Shangming He, Liting Fei, Yingying Zhao, Shizhao Wang, Junsheng Yuan, Devis Di Tommaso, He Lin, Fei Li, Zhiyong Ji\",\"doi\":\"10.1016/j.watres.2025.124333\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"Lithium, a pivotal resource in the new energy sector, demands the development of efficient and energy-saving lithium-magnesium separation technologies. This study employed electric field-assisted nanofiltration (E-NF) technology to achieve efficient lithium-magnesium separation. Compared with conventional nanofiltration, at a current density of 2 mA·cm<sup>-2</sup>, the rejection rate of Li⁺ decreased from -27.4% to -32%, while that of Mg<sup>2+</sup> increased from 95.8% to 99%. The underlying molecular mechanisms were explored using operando Raman spectroscopy, X-ray scattering (XRS), and molecular dynamics (MD) simulations. Results indicate that the electric field disrupts hydrogen bonds in LiCl solutions more significantly than in MgCl<sub>2</sub> solutions, leading to a looser bulk water structure around lithium ions. XRS and Raman data show reduced peak intensities for Ow-Ow and ion-water interactions, with more pronounced effects in LiCl solutions. The decrease in Li-O and Mg-O characteristic peak intensities indicates a weakening interaction between ions and water molecules. MD simulations reveal that the electric field enhances Li⁺ dehydration and membrane permeation by reducing its coordination shells, while only slightly affecting Mg<sup>2+</sup><sub>.</sub> Overall, the electric field accelerates Li⁺ dehydration, facilitating its rapid passage through the membrane, while Mg²⁺ is retained via Donnan effects and dielectric exclusion, effectively separating Li⁺ from Mg²⁺.\",\"PeriodicalId\":443,\"journal\":{\"name\":\"Water Research\",\"volume\":\"41 1\",\"pages\":\"\"},\"PeriodicalIF\":12.4000,\"publicationDate\":\"2025-08-05\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"\",\"citationCount\":\"0\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"Water Research\",\"FirstCategoryId\":\"93\",\"ListUrlMain\":\"https://doi.org/10.1016/j.watres.2025.124333\",\"RegionNum\":1,\"RegionCategory\":\"环境科学与生态学\",\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"\",\"PubModel\":\"\",\"JCR\":\"Q1\",\"JCRName\":\"ENGINEERING, ENVIRONMENTAL\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"Water Research","FirstCategoryId":"93","ListUrlMain":"https://doi.org/10.1016/j.watres.2025.124333","RegionNum":1,"RegionCategory":"环境科学与生态学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q1","JCRName":"ENGINEERING, ENVIRONMENTAL","Score":null,"Total":0}
Mechanistic Insights into Electric Field-Assisted Nanofiltration for Efficient Lithium-Magnesium Separation
Lithium, a pivotal resource in the new energy sector, demands the development of efficient and energy-saving lithium-magnesium separation technologies. This study employed electric field-assisted nanofiltration (E-NF) technology to achieve efficient lithium-magnesium separation. Compared with conventional nanofiltration, at a current density of 2 mA·cm-2, the rejection rate of Li⁺ decreased from -27.4% to -32%, while that of Mg2+ increased from 95.8% to 99%. The underlying molecular mechanisms were explored using operando Raman spectroscopy, X-ray scattering (XRS), and molecular dynamics (MD) simulations. Results indicate that the electric field disrupts hydrogen bonds in LiCl solutions more significantly than in MgCl2 solutions, leading to a looser bulk water structure around lithium ions. XRS and Raman data show reduced peak intensities for Ow-Ow and ion-water interactions, with more pronounced effects in LiCl solutions. The decrease in Li-O and Mg-O characteristic peak intensities indicates a weakening interaction between ions and water molecules. MD simulations reveal that the electric field enhances Li⁺ dehydration and membrane permeation by reducing its coordination shells, while only slightly affecting Mg2+. Overall, the electric field accelerates Li⁺ dehydration, facilitating its rapid passage through the membrane, while Mg²⁺ is retained via Donnan effects and dielectric exclusion, effectively separating Li⁺ from Mg²⁺.
期刊介绍:
Water Research, along with its open access companion journal Water Research X, serves as a platform for publishing original research papers covering various aspects of the science and technology related to the anthropogenic water cycle, water quality, and its management worldwide. The audience targeted by the journal comprises biologists, chemical engineers, chemists, civil engineers, environmental engineers, limnologists, and microbiologists. The scope of the journal include:
•Treatment processes for water and wastewaters (municipal, agricultural, industrial, and on-site treatment), including resource recovery and residuals management;
•Urban hydrology including sewer systems, stormwater management, and green infrastructure;
•Drinking water treatment and distribution;
•Potable and non-potable water reuse;
•Sanitation, public health, and risk assessment;
•Anaerobic digestion, solid and hazardous waste management, including source characterization and the effects and control of leachates and gaseous emissions;
•Contaminants (chemical, microbial, anthropogenic particles such as nanoparticles or microplastics) and related water quality sensing, monitoring, fate, and assessment;
•Anthropogenic impacts on inland, tidal, coastal and urban waters, focusing on surface and ground waters, and point and non-point sources of pollution;
•Environmental restoration, linked to surface water, groundwater and groundwater remediation;
•Analysis of the interfaces between sediments and water, and between water and atmosphere, focusing specifically on anthropogenic impacts;
•Mathematical modelling, systems analysis, machine learning, and beneficial use of big data related to the anthropogenic water cycle;
•Socio-economic, policy, and regulations studies.