{"title":"调节离子配位环境以提高混合溶液中 Li+/Mg2+ 的选择性","authors":"Yayun Shi, Bowen Zhang, Tianyue Qian, Xiaoli Zhao, Jiang Li, Ruimin Li, Congcong Liu, Zhijun Zuo, Xiaowei Yang","doi":"10.1002/aic.18505","DOIUrl":null,"url":null,"abstract":"<p>The outstanding ionic sieving capabilities of the nanoporous membranes have been evident; however, the selectivity in mixed solutions is often lower than that in single salt solutions. Given that the inherent properties of nanochannels remain the same, the ionic coordination structure in mixed solution becomes a remarkable factor for the inferior selectivity, and may change due to the interaction between anions and multivalent cations, a phenomenon rarely explored. Herein, molecular simulations demonstrated some free hydrated ions transfer to ionic clusters consisting of multi-ions in representative LiCl/MgCl<sub>2</sub> mixed solutions, and the ionic permeability discrepancy is exponentially associated with ionic cluster change. Ionic clusters are engaged by the enhanced coordination of chloride ions under the interference of divalent cations. Hence, by introducing anions with weak coordination ability, this detrimental effect is mitigated and ion selectivity is improved. This work provides essential theoretical foundations for further ion sieving applications in complex system.</p>","PeriodicalId":120,"journal":{"name":"AIChE Journal","volume":null,"pages":null},"PeriodicalIF":3.5000,"publicationDate":"2024-06-18","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":"{\"title\":\"Modulating ion coordination environment for improved Li+/Mg2+ selectivity in mixed solutions\",\"authors\":\"Yayun Shi, Bowen Zhang, Tianyue Qian, Xiaoli Zhao, Jiang Li, Ruimin Li, Congcong Liu, Zhijun Zuo, Xiaowei Yang\",\"doi\":\"10.1002/aic.18505\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"<p>The outstanding ionic sieving capabilities of the nanoporous membranes have been evident; however, the selectivity in mixed solutions is often lower than that in single salt solutions. Given that the inherent properties of nanochannels remain the same, the ionic coordination structure in mixed solution becomes a remarkable factor for the inferior selectivity, and may change due to the interaction between anions and multivalent cations, a phenomenon rarely explored. Herein, molecular simulations demonstrated some free hydrated ions transfer to ionic clusters consisting of multi-ions in representative LiCl/MgCl<sub>2</sub> mixed solutions, and the ionic permeability discrepancy is exponentially associated with ionic cluster change. Ionic clusters are engaged by the enhanced coordination of chloride ions under the interference of divalent cations. Hence, by introducing anions with weak coordination ability, this detrimental effect is mitigated and ion selectivity is improved. This work provides essential theoretical foundations for further ion sieving applications in complex system.</p>\",\"PeriodicalId\":120,\"journal\":{\"name\":\"AIChE Journal\",\"volume\":null,\"pages\":null},\"PeriodicalIF\":3.5000,\"publicationDate\":\"2024-06-18\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"\",\"citationCount\":\"0\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"AIChE Journal\",\"FirstCategoryId\":\"5\",\"ListUrlMain\":\"https://onlinelibrary.wiley.com/doi/10.1002/aic.18505\",\"RegionNum\":3,\"RegionCategory\":\"工程技术\",\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"\",\"PubModel\":\"\",\"JCR\":\"Q2\",\"JCRName\":\"ENGINEERING, CHEMICAL\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"AIChE Journal","FirstCategoryId":"5","ListUrlMain":"https://onlinelibrary.wiley.com/doi/10.1002/aic.18505","RegionNum":3,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q2","JCRName":"ENGINEERING, CHEMICAL","Score":null,"Total":0}
Modulating ion coordination environment for improved Li+/Mg2+ selectivity in mixed solutions
The outstanding ionic sieving capabilities of the nanoporous membranes have been evident; however, the selectivity in mixed solutions is often lower than that in single salt solutions. Given that the inherent properties of nanochannels remain the same, the ionic coordination structure in mixed solution becomes a remarkable factor for the inferior selectivity, and may change due to the interaction between anions and multivalent cations, a phenomenon rarely explored. Herein, molecular simulations demonstrated some free hydrated ions transfer to ionic clusters consisting of multi-ions in representative LiCl/MgCl2 mixed solutions, and the ionic permeability discrepancy is exponentially associated with ionic cluster change. Ionic clusters are engaged by the enhanced coordination of chloride ions under the interference of divalent cations. Hence, by introducing anions with weak coordination ability, this detrimental effect is mitigated and ion selectivity is improved. This work provides essential theoretical foundations for further ion sieving applications in complex system.
期刊介绍:
The AIChE Journal is the premier research monthly in chemical engineering and related fields. This peer-reviewed and broad-based journal reports on the most important and latest technological advances in core areas of chemical engineering as well as in other relevant engineering disciplines. To keep abreast with the progressive outlook of the profession, the Journal has been expanding the scope of its editorial contents to include such fast developing areas as biotechnology, electrochemical engineering, and environmental engineering.
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