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离子脱水在致密膜离子-离子选择性中的作用。

Role of Ion Dehydration in Ion-Ion Selectivity of Dense Membranes.

作者信息

Ershov Alexander, Xu Hengyu, Li Ying, Tong Tiezheng, Epsztein Razi

机构信息

Faculty of Civil and Environmental Engineering, Technion─Israel Institute of Technology, Haifa 32000, Israel.

Department of Mechanical Engineering, University of Wisconsin-Madison, Madison, Wisconsin 53706, United States.

出版信息

Environ Sci Technol. 2025 Sep 2;59(34):17997-18009. doi: 10.1021/acs.est.5c04303. Epub 2025 Aug 19.

DOI:10.1021/acs.est.5c04303
PMID:40830835
Abstract

Fabricating polymeric membranes with ion-specific selectivity has been targeted in recent years to address the growing challenges of water and resource scarcity. Inspired by discoveries of the selectivity mechanisms in biological channels, ion dehydration has been increasingly recognized as a key phenomenon governing the transport and selectivity in dense polymeric membranes and other synthetic nanochannels. However, understanding the molecular details of this phenomenon and leveraging and controlling it to increase the selectivity between ions in state-of-the-art membranes remain elusive. In this Perspective, we discuss the foundations of ion dehydration and explore opportunities to study and leverage this phenomenon for improving ion-ion selectivity in membranes. We first introduce the fundamentals and measurements of ion's hydration properties in solution, distinguishing between static and dynamic hydration properties. Next, we discuss simulation and experimental techniques to study ion dehydration under confinement, highlighting critical knowledge gaps that impede our understanding of this phenomenon. We then discuss effects of ion dehydration on the energy landscape of ion transport and analyze attempts in the literature to improve ion selectivity by promoting dehydration of specific ions. We conclude by proposing research directions to enhance our understanding of ion dehydration and fabricate sustainable and robust membranes with ion-specific selectivity.

摘要

近年来,制造具有离子特异性选择性的聚合物膜已成为应对日益严峻的水资源和资源短缺挑战的目标。受生物通道中选择性机制发现的启发,离子脱水越来越被认为是控制致密聚合物膜和其他合成纳米通道中传输和选择性的关键现象。然而,了解这一现象的分子细节,并利用和控制它以提高现有膜中离子之间的选择性,仍然难以实现。在这篇综述中,我们讨论了离子脱水的基础,并探索研究和利用这一现象以改善膜中离子-离子选择性的机会。我们首先介绍溶液中离子水合性质的基本原理和测量方法,区分静态和动态水合性质。接下来,我们讨论研究受限条件下离子脱水的模拟和实验技术,强调阻碍我们理解这一现象的关键知识空白。然后,我们讨论离子脱水对离子传输能量景观的影响,并分析文献中通过促进特定离子脱水来提高离子选择性的尝试。我们最后提出研究方向,以增强我们对离子脱水的理解,并制造具有离子特异性选择性的可持续且坚固的膜。

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本文引用的文献

1
PX-MDsim: a rapid and efficient platform for large-scale construction of polyamide membranes automated molecular dynamics simulations.PX-MDsim:一个用于大规模构建聚酰胺膜自动分子动力学模拟的快速高效平台。
RSC Adv. 2025 Feb 21;15(8):5906-5915. doi: 10.1039/d4ra08955c. eCollection 2025 Feb 19.
2
Dehydration-enhanced Ion Recognition of Triazine Covalent Organic Frameworks for High-resolution Li/Mg Separation.用于高分辨率锂/镁分离的三嗪共价有机框架的脱水增强离子识别
Angew Chem Int Ed Engl. 2025 Apr 1;64(14):e202422423. doi: 10.1002/anie.202422423. Epub 2025 Jan 28.
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Lithium complexing strategy based on host-guest recognition for efficient Mg/Li separation.
基于主客体识别的锂络合策略用于高效镁/锂分离。
Water Res. 2025 Apr 15;274:123100. doi: 10.1016/j.watres.2025.123100. Epub 2025 Jan 5.
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Interface Engineering by Molecular Layer Deposition on Polymer Membrane for Selective Ion Transport.通过在聚合物膜上进行分子层沉积实现界面工程用于选择性离子传输
Small. 2025 Feb;21(7):e2406709. doi: 10.1002/smll.202406709. Epub 2024 Dec 5.
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Boosting lithium/magnesium separation performance of selective electrodialysis membranes regulated by enamine reaction.通过烯胺反应调控提高选择性电渗析膜的锂/镁分离性能。
Water Res. 2025 Jan 1;268(Pt B):122729. doi: 10.1016/j.watres.2024.122729. Epub 2024 Oct 31.
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Selective ion transport through hydrated micropores in polymer membranes.聚合物膜中含水微孔的选择性离子传输。
Nature. 2024 Nov;635(8038):353-358. doi: 10.1038/s41586-024-08140-2. Epub 2024 Nov 6.
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The Hidden Role of the Dielectric Effect in Nanofiltration: A Novel Perspective to Unravel New Ion Separation Mechanisms.介电效应在纳滤中的隐藏角色:揭示新离子分离机制的新视角。
Environ Sci Technol. 2024 Sep 3;58(35):15874-15884. doi: 10.1021/acs.est.4c07510. Epub 2024 Aug 22.
8
Molecular Dynamics Simulation Investigation of Freezing Point Depression in NaClO Electrolyte Solution by CaCl.氯化钙对次氯酸钠电解液冰点降低影响的分子动力学模拟研究
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Ion-Ion Selectivity of Synthetic Membranes with Confined Nanostructures.具有受限纳米结构的合成膜的离子-离子选择性
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Simultaneous Manipulation of Membrane Enthalpy and Entropy Barriers towards Superior Ion Separations.同时调控膜焓和熵势垒以实现卓越的离子分离
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