Roles of Anion-Cation Coupling Transport and Dehydration-Induced Ion-Membrane Interaction in Precise Separation of Ions by Nanofiltration Membranes

Xiaohu Zhai; Yong-Lei Wang; Ruobin Dai

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Roles of Anion-Cation Coupling Transport and Dehydration-Induced Ion-Membrane Interaction in Precise Separation of Ions by Nanofiltration Membranes

机译：Roles of Anion-Cation Coupling Transport and Dehydration-Induced Ion-Membrane Interaction in Precise Separation of Ions by Nanofiltration Membranes

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Nanofiltration (NF) membranes are playing increasingly crucial roles in addressing emerging environmental challenges by precise separation, yet understanding of the selective transport mechanism is still limited. In this work, the underlying mechanisms governing precise selectivity of the polyamide NF membrane were elucidated using a series of monovalent cations with minor hydrated radius difference. The observed selectivity of a single cation was neither correlated with the hydrated radius nor hydration energy, which could not be explained by the widely accepted NF model or ion dehydration theory. Herein, we employed an Arrhenius approach combined with Monte Carlo simulation to unravel that the transmembrane process of the cation would be dominated by its pairing anion, if the anion has a greater transmembrane energy barrier, due to the constraint of anion-cation coupling transport. Molecular dynamics simulations further revealed that the distinct hydration structure was the primary origin of the energy barrier difference of cations. The cation having a larger incompressible structure after partial dehydration through subnanopores would induce a more significant ion-membrane interaction and consequently a higher energy barrier. Moreover, to validate our proposed mechanisms, a membrane grafting modification toward enlarging the energy barrier difference of dominant ions achieved a 3-fold enhancement in ion separation efficiency. Our work provides insights into the precise separation of ionic species by NF membranes.

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《Environmental Science & Technology: ES&T》 |2022年第19期|14069-14079|共11页
作者
Xiaohu Zhai; Yong-Lei Wang; Ruobin Dai;
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作者单位

State Key Laboratory of Pollution Control and Resource Reuse, Shanghai Institute of Pollution Control and Ecological Security, Tongji Advanced Membrane Technology Center, School of Environmental Science and Engineering Tongji University, Shanghai 200092,;

Department of Materials and Environmental Chemistry, Arrhenius Laboratory, Stockholm University, Stockholm SE-106 91, Sweden;

State Key Laboratory of Pollution Control and Resource Reuse, Shanghai Institute of Pollution Control and Ecological Security, Tongji Advanced Membrane Technology Center, School of Environmental Science and Engineering, Tongji University, Shanghai 200092,;

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收录信息美国《科学引文索引》(SCI);美国《工程索引》(EI);美国《生物学医学文摘》(MEDLINE);美国《化学文摘》(CA);
原文格式 PDF
正文语种英语
中图分类环境科学、安全科学;
关键词
ion separation; Arrhenius approach; energy barrier; ion dehydration; molecular simulations;

Roles of Anion-Cation Coupling Transport and Dehydration-Induced Ion-Membrane Interaction in Precise Separation of Ions by Nanofiltration Membranes

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