Desalination最新文献

{"title":"Selective chromium removal and detoxification via capacitive deionization using nickel oxide-loaded oxidized MXene electrode: The critical role of Ti/Ni dual-redox centers","authors":"Hameer Chand ,&nbsp;Shuai Yang ,&nbsp;Jiazhou He ,&nbsp;Shuai Wang ,&nbsp;Yuanyuan Niu ,&nbsp;Chuanjian Cui ,&nbsp;Changyong Zhang","doi":"10.1016/j.desal.2025.119430","DOIUrl":"10.1016/j.desal.2025.119430","url":null,"abstract":"<div><div>The selective removal and detoxification of hexavalent chromium (Cr(VI)) from industrial wastewater remains a pressing challenged due to the interference of coexisting ions. Herein, we present a redox-engineered material, nickel oxide nanoparticle-loaded oxidized MXene (NiO/O_x-MXene), as an innovative electrode for capacitive deionization (CDI) to enable efficient and selective Cr(VI) capture and transformation. By employing a facile potassium persulfate oxidation strategy at ambient conditions, titanium vacancies on MXene nanosheets were converted into multivalent titanium oxide domains, while NiO nanoparticles were simultaneously coated forming a dual redox-active interface (Ti³⁺/Ti⁴⁺ and Ni²⁺/Ni³⁺). This heterostructure significantly lowered the interfacial charge transfer resistance by 67 %, thereby, enhancing electrochemical performances and ion capture kinetics. The optimized NiO/O_x-MXene electrode delivered a Cr(VI) adsorption capacity of 18.54 mg g⁻¹ at 0.9 V, outperforming that of pristine MXene by 1.6-fold, while reducing Cr(VI) concentrations from 5 to 0.06 mg L⁻¹ with a low energy consumption of 4.85 kWh kg⁻¹ Cr(VI). Notably, the system maintained high selectivity even in the presence of competitive Cl⁻, NO₃⁻, SO₄²⁻ anions, with selective factors of 83.81, 83.10, and 44.79, respectively. It also retained 82.78 % Cr(VI) removal efficiency after five operational cycles. Mechanistic analysis revealed that Cr(VI) removal was governed through synergistic combination of electrostatic adsorption, ion exchange, and surface complexation, and redox-mediated electro-reduction to less toxic Cr(III) via interfacial electron transfer at Ti/Ni dual-redox centers. This work established a scalable and chemically robust CDI platform for targeted Cr (VI) remediation, providing a blueprint for rational electrode design towards selective heavy metal remediation from complex water matrices.</div></div>","PeriodicalId":299,"journal":{"name":"Desalination","volume":"617 ","pages":"Article 119430"},"PeriodicalIF":9.8,"publicationDate":"2025-09-22","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145119521","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Terahertz waves promote the desalination performance in double-walled carbon nanotubes","authors":"Tao Zhang ,&nbsp;Zi Wang ,&nbsp;Keda Yang ,&nbsp;Jiaye Su","doi":"10.1016/j.desal.2025.119431","DOIUrl":"10.1016/j.desal.2025.119431","url":null,"abstract":"<div><div>Improving ion rejection often occurs at the expense of water permeability, making the simultaneous optimization of both properties particularly challenging. Generally, small pore sizes can effectively hinder ion transport and thus enhance rejection, but at the same time they also restrict water passage, leading to reduced permeability. To address this challenge, we employ molecular dynamics (MD) simulations to investigate ion rejection and water transport through terahertz (THz)-assisted double-walled carbon nanotubes (DWCNTs). We find that applying THz waves to DWCNTs can simultaneously enhance both water permeability and ion rejection. Specifically, as the field strength increases, in simulations, desalination performance improves, approaching 100 % at <em>A</em> = 2 V/nm for all types of DWCNTs, attributed to a combination of resonance and freezing effects. Additionally, across all DWCNTs, maximum ion rejection occurs at <em>f</em> = 10 THz, where confined ion transport is observed while high water flux is preserved. Furthermore, as the inner CNT radius increases, the ion rejection reaches a peak for (8,8) and (9,9) CNTs, owing to their distinct size exclusion characteristics. As a result, our findings not only uncover the underlying mechanisms of THz-assisted transport in DWCNTs but also open up new possibilities for the development of advanced membrane-based desalination systems.</div></div>","PeriodicalId":299,"journal":{"name":"Desalination","volume":"617 ","pages":"Article 119431"},"PeriodicalIF":9.8,"publicationDate":"2025-09-22","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145156274","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Recent advances in selective ion separation using flow-electrode capacitive deionization","authors":"Tran Minh Khoi ,&nbsp;Nguyen Anh Thu Tran ,&nbsp;Jingoo Kim ,&nbsp;Kimin Chae ,&nbsp;Yuna Shin ,&nbsp;Wook Ahn ,&nbsp;Young-Woo Lee ,&nbsp;Thi Ngoc Tram Le ,&nbsp;Huu Thang Nguyen ,&nbsp;Jaehan Lee ,&nbsp;Seung Woo Lee ,&nbsp;Younghyun Cho","doi":"10.1016/j.desal.2025.119429","DOIUrl":"10.1016/j.desal.2025.119429","url":null,"abstract":"<div><div>The growing need for selective ion separation in water treatment and resource recovery has driven research beyond conventional desalination. Flow-electrode capacitive deionization (FCDI) exhibits the advantages of continuous operation and high capacity and is therefore well suited for these applications. This review focuses on the recent and rapid advances in achieving selective ion separation using FCDI. Initially, we discuss the fundamental mechanisms of achieving selectivity, broadly categorizing them into the engineering of flow-electrode materials (e.g., functionalization, intercalation hosts, nanostructured carbon), tailoring of ion-exchange membranes (e.g., polyelectrolyte coatings, nanofiltration membranes, carrier-facilitated transport), and tuning of operational parameters and system design (e.g., voltage, flow rate, cell architecture). Subsequently, we survey state-of-the-art applications according to target ions, including the separation of monovalent cations from divalent ones for water softening (Ca/Mg removal) and the recovery of critical resources such as lithium and ammonia. Furthermore, we cover the selective removal of anions, including nutrients (nitrate, phosphate), contaminants (fluoride, chromate), and valuable organic acids. Distinct from prior reviews on CDI selectivity, this work specifically highlights FCDI's unique features including continuous slurry-electrode operation, feed channels separated by ion-exchange membranes, and diverse flow/rocking-chair/redox modes, thus providing a focused synthesis of strategies and potential applications<strong>.</strong> Finally, key challenges related to system stability, fouling, and cell design are summarized, and future research directions are highlighted. This review demonstrates that through the sophisticated combination of materials science and system engineering, FCDI is evolving into a robust and versatile technology critical for the future of sustainable water treatment and the circular economy.</div></div>","PeriodicalId":299,"journal":{"name":"Desalination","volume":"617 ","pages":"Article 119429"},"PeriodicalIF":9.8,"publicationDate":"2025-09-21","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145156272","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Recent progress in droplet dynamics on advanced micro/nano-structured surfaces: Theory, experiments and applications","authors":"Shuai Guo ,&nbsp;Xinyi Zhao ,&nbsp;Bo Xu ,&nbsp;Zhenqian Chen ,&nbsp;Xin Wang","doi":"10.1016/j.desal.2025.119428","DOIUrl":"10.1016/j.desal.2025.119428","url":null,"abstract":"<div><div>The dynamic behaviors of droplets on complex structured surfaces widely exists in nature and industrial applications. With the rapid development of interfacial materials and micro/nano-fabrication technologies, various advanced micro/nanostructured surfaces are fabricated to modulate droplet dynamics. This review firstly provides a comprehensive overview of the fabrication methods of advanced micro/nano-structured surfaces including superhydrophilic, superhydrophobic and lubricant-injected surfaces, and highlights the advantages and disadvantages. Secondly, the droplet dynamic behaviors (droplet rotation, splitting and directional migration) on advanced micro/nanostructured surfaces are discussed. Thirdly, applications of advanced functional surfaces, including anti-icing, self-cleaning, anti-corrosion, thermal management, and photothermal interface evaporation, are described in detail. Finally, challenges and directions for future research are concluded and outlooked. Existing research lacks a unified theoretical framework to integrate multi-scale force and thermodynamic coupling, and issues of scalable fabrication, durability, environmental sustainability, and multi-physics field coupling need to be addressed. Subsequent research directions need to construct cross-scale prediction models and combine them with multi-physics simulations to promote machine learning and interdisciplinary integration for precise regulation of droplet dynamics and practical applications on functional surfaces. This work provides important insights for advancing the application of droplet modulation technology in anti-icing, self-cleaning, anti-corrosion, thermal management, and seawater desalination.</div></div>","PeriodicalId":299,"journal":{"name":"Desalination","volume":"617 ","pages":"Article 119428"},"PeriodicalIF":9.8,"publicationDate":"2025-09-20","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145119592","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Cylindrical PVC pipe: 2D macro light trapper and macroscopic photoprotective tube for fabricating high-concentration brine desalinators?","authors":"Sen Ai ,&nbsp;Cheng-Yu He ,&nbsp;Bao-Hua Liu ,&nbsp;Gang Liu ,&nbsp;Jun-Shuai Li ,&nbsp;Xiang-Hu Gao","doi":"10.1016/j.desal.2025.119427","DOIUrl":"10.1016/j.desal.2025.119427","url":null,"abstract":"<div><div>To date, almost all efforts to develop photothermal materials in the field of photothermal interfacial evaporation have been devoted to exploiting, fabricating and modifying absorbers, which, to some extent, have complex photothermal mechanisms, leading to health risks in fresh water production. This work revealed that a PVC pipe not only can act as a light trapper (2D macro light trapping effect) to almost completely absorb incident solar light by just reabsorbing and multireflecting but can also serve as a macroscopic photoprotective tube to guide light (macroscopic photoprotective tube effect). In terms of the optical guidance effect, photoprotective effect, reflection focusing, geometric constraint and interference of light, a surface that receives an optical power density of 1 kW m⁻² will significantly increase in optical power density when a PVC pipe of a certain diameter and height on it, which is at the bottom of the PVC tube, is standing vertically. Driven by this light mechanism, the optical power density at the solar receiving interface can increase from 1000 to 1651 W m⁻² when the length of pipe 32 in diameter is increased to 7 cm. The fabricated evaporator was bundled with three PVC pipes, as expected, the evaporative interface fully deployed with the macroscopic photoprotective tube (three pipes) performed the best in terms of solar steam generation (2.65 kg m⁻² h⁻¹). On the basis of the trend of salt formation and development, the production of salt and regeneration of evaporators can be easily achieved simultaneously by scraping and wiping. Our proposed photoprotective tubes not only can be exploited in the field of photothermal evaporation but can also be exploited in the field of acupoint photothermal therapy and other fields.</div></div>","PeriodicalId":299,"journal":{"name":"Desalination","volume":"617 ","pages":"Article 119427"},"PeriodicalIF":9.8,"publicationDate":"2025-09-20","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145119522","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"PFAS-contaminated groundwater treatment by forward osmosis using pressure-stimuli-responsive nanofiltration membrane: Effects of chain length and operating conditions","authors":"Yahia Aedan ,&nbsp;Ali Altaee ,&nbsp;Viktoria Mueller ,&nbsp;Ho Kyong Shon ,&nbsp;Lilyan Alsaka ,&nbsp;Syed Javaid Zaidi","doi":"10.1016/j.desal.2025.119425","DOIUrl":"10.1016/j.desal.2025.119425","url":null,"abstract":"<div><div>Significant health concerns have been raised resulting from the increasing detection of <em>per</em>- and polyfluoroalkyl substances (PFAS) in various water bodies. Attention has shifted beyond long-chain compounds, carbon-chain length ≥ C7, to include the more mobile and persistent short, carbon-chain length C4-C6, and ultra-short-chain PFAS, carbon-chain length C1-C3. This study systematically investigated the rejection of PFAS-contaminated groundwater using a pressure-stimuli-responsive nanofiltration (PSRNF) membrane with varying pressures and pH of the feed solution. The rejection efficiency of long- and short-chain PFAS by the PSRNF membrane increased with both increasing pressure and pH, achieving 99.1 % to 100 % for long chains and 96.9 % to 98 % for short chains. In contrast, the ultra-short-chain PFAS rejection efficiency by the PSRNF membrane decreased at acidic pH with increasing pressure, but increased at alkaline pH, achieving up to 91.4 %. There was a higher tendency for membrane adsorption of long-chain PFAS due to strong hydrophobic interactions at low pressure, resulting from a longer contact time with the membrane. Ultra-short-chain PFAS exhibited no adsorption across all conditions due to their low hydrophobicity and minimal affinity for the membrane surface. This performance was closely linked to both the physicochemical properties of the PFAS species and the operational environment, such as pH and applied pressure. These findings highlight both the practical benefits of the PSRNF membrane and the importance of optimising operating conditions for effective removal of PFAS and heavy metals from contaminated water.</div></div>","PeriodicalId":299,"journal":{"name":"Desalination","volume":"617 ","pages":"Article 119425"},"PeriodicalIF":9.8,"publicationDate":"2025-09-18","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145119519","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Synergistic effects in high-performance Ni(OH)2@CNT heterojunction for improved salt removal in capacitive deionization","authors":"Guizhi Wang ,&nbsp;Yangyang Zhu ,&nbsp;Yuting Zhang ,&nbsp;Haonan Sun ,&nbsp;Yueyue Jiang ,&nbsp;Fajun Li ,&nbsp;Pan Zhang ,&nbsp;Yongxiang Su ,&nbsp;Ligang Zhang ,&nbsp;Keying Zhang","doi":"10.1016/j.desal.2025.119424","DOIUrl":"10.1016/j.desal.2025.119424","url":null,"abstract":"<div><div>Capacitive deionization (CDI) is a promising water treatment technology that offers several advantages, including simple operation, low operational cost, environmental sustainability, and low power consumption. However, the performance of CDI systems is primarily constrained by the properties of the electrodes used. To improve the ion adsorption capacity and energy utilization efficiency of conventional carbon-based materials, the development of advanced electrode materials is of critical importance. In this study, a heterojunction structure composed of Ni(OH)₂ nanosheets and carbon nanotubes (Ni(OH)₂@CNT) was successfully synthesized using a straightforward solvothermal method. Electrochemical characterization confirmed that the Ni(OH)₂@CNT hybrid exhibited excellent capacitive Na⁺ storage performance, rapid Na⁺ ion diffusion kinetics, and long-term charge-discharge cycling stability. When combined with activated carbon to fabricate a CDI device, the composite electrode achieved a high adsorption capacity of 43 mg/g and a charge efficiency of 90.2 % in a 500 mg/L NaCl solution under a working voltage of 1.2 V. Moreover, the electrode demonstrated superior energy utilization efficiency and regeneration cycling stability. Through investigation of the Na⁺ adsorption mechanism, it was determined that the efficient removal of Na⁺ ions resulted from the synergistic effect between Ni(OH)₂ and CNT, involving intercalation adsorption by Ni(OH)₂ and electric double-layer adsorption by CNT. The high-performance Ni(OH)₂@CNT heterojunction developed in this study offers a promising technical solution for advancing capacitive desalination technology.</div></div>","PeriodicalId":299,"journal":{"name":"Desalination","volume":"617 ","pages":"Article 119424"},"PeriodicalIF":9.8,"publicationDate":"2025-09-18","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145100046","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Sandwich-structured COF membranes for efficient transmembrane Na+/Cl− permselectivity of reverse electrodialysis","authors":"Xingshuo Fan ,&nbsp;Jianghao Wu ,&nbsp;Shenhao Huang ,&nbsp;Fucheng Dai ,&nbsp;Yuan Xi ,&nbsp;Xiaopeng Zhang ,&nbsp;Junjiang Bao ,&nbsp;Gaohong He ,&nbsp;Zhuanglin Shen ,&nbsp;Ning Zhang","doi":"10.1016/j.desal.2025.119426","DOIUrl":"10.1016/j.desal.2025.119426","url":null,"abstract":"<div><div>This study made the first attempt to investigate a complete transport of cations and anions from a high-concentration reservoir to the bilateral low-concentration reservoirs respectively through the sandwich-structured covalent organic framework (COF) membranes (<em>III</em>-COF-CEM and <em>III</em>-COF-AEM) via molecular dynamics simulations for the reverse electrodialysis (RED) technology. The <em>III</em>-COF-CEM and <em>III</em>-COF-AEM were constructed with a negatively-charged and a positively-charged COF interlayers, respectively, which produced the effective pore sizes within the range of 5.6–7.5 Å and 7.7–9.6 Å, respectively. The membranes demonstrated remarkable Na⁺/Cl⁻ selectivity of 94.7 and Cl⁻/Na⁺ selectivity of 92.1 via synergistic size exclusion and electrostatic interactions. The sandwich-structured COF membranes could realize an excellent Na⁺/Cl⁻ permselective transport, achieving an estimated output power density (97.6 W·m⁻²) potentially surpassing the benchmark of commercial membranes. This work provides a valuable insight into the development of high-performance membranes for efficient osmotic energy harvesting.</div></div>","PeriodicalId":299,"journal":{"name":"Desalination","volume":"617 ","pages":"Article 119426"},"PeriodicalIF":9.8,"publicationDate":"2025-09-18","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145119520","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Precisive lithium extraction based on synergistic effect of water-rich 3D network in hydrogel and covalent grafted crown ether","authors":"Enze Li ,&nbsp;Yaosen Yuan ,&nbsp;Zelong Li ,&nbsp;Hongli Zhu ,&nbsp;Xunzhao Qiu ,&nbsp;Shasha Li ,&nbsp;Qiancheng Xia ,&nbsp;Guandao Gao ,&nbsp;Wenting Cheng ,&nbsp;Zihe Pan","doi":"10.1016/j.desal.2025.119411","DOIUrl":"10.1016/j.desal.2025.119411","url":null,"abstract":"<div><div>Efficient lithium recovery from salt-lake brine continues to be a critical enabler for the global energy transition and sustainable low-carbon development. Although the current established crown ether molecules with comparable ring size present high selectivity for Li<span><math><msup><mrow></mrow><mrow><mo>+</mo></mrow></msup></math></span>, it still suffers from low recovery efficiency and partial dissolution of crown ether molecules. Herein, we develop a crown ether-based hydrogel, MDB14C4-PAA, interconnected through covalent bonds via an <em>in-situ</em> approach for efficient lithium separation from salt-lake brine with high Mg/Li mass ratio. Specially, the obtained hydrogel presents a prospective water-rich 3D network with hierarchical pores for water connection with aqueous environment and no obvious structural fracture after swelling in water with the optimal usage of cross-linker (0.1% in molar). Notably, this system exhibits excellent Li<span><math><msup><mrow></mrow><mrow><mo>+</mo></mrow></msup></math></span> extraction performance with adsorption quantity and Li<span><math><msup><mrow></mrow><mrow><mo>+</mo></mrow></msup></math></span>/Mg<span><math><msup><mrow></mrow><mrow><mn>2</mn><mo>+</mo></mrow></msup></math></span> separation factor up to 5.5 mg/g and 5.23, respectively, under the optimal operation condition, and outstanding cycling stability. The nuclear magnetic titration experiments with DFT calculations and molecular dynamics simulations demonstrate the main active complex sites of oxygen atoms in the crown ether ring with 1:1 of complex ratio and 0.6 Å of complex distance. And the <img>COO<span><math><msup><mrow></mrow><mrow><mo>−</mo></mrow></msup></math></span> groups in PAA chains generated due to deprotonation of <img>COOH can synergistically enhance the complex of Li<span><math><msup><mrow></mrow><mrow><mo>+</mo></mrow></msup></math></span>. Moreover, the high selectivity of MDB14C4-PAA for Li<span><math><msup><mrow></mrow><mrow><mo>+</mo></mrow></msup></math></span> over Mg<span><math><msup><mrow></mrow><mrow><mn>2</mn><mo>+</mo></mrow></msup></math></span> is proposed to be ascribed to the lower complex energy barrier of Li<span><math><msup><mrow></mrow><mrow><mo>+</mo></mrow></msup></math></span>, 70.51 kcal/mol, than that of Mg<span><math><msup><mrow></mrow><mrow><mn>2</mn><mo>+</mo></mrow></msup></math></span>, 116.19 kcal/mol. This work constitutes a substantial insight into selective interaction of Li<span><math><msup><mrow></mrow><mrow><mo>+</mo></mrow></msup></math></span> with crown ether-based materials and develops a novel strategy based on super-hydrophilic 3D network structure for special ions transfer.</div></div>","PeriodicalId":299,"journal":{"name":"Desalination","volume":"617 ","pages":"Article 119411"},"PeriodicalIF":9.8,"publicationDate":"2025-09-18","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145119594","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Water desalination and ionic selectivity in kagome-graphene membranes","authors":"Rhayla M. Ferreira ,&nbsp;Flávia C.A. Silva ,&nbsp;Maria J.F. Silva ,&nbsp;Rodrigo G. Amorim ,&nbsp;Fábio A.L. de Souza ,&nbsp;Fernando N.N. Pansini","doi":"10.1016/j.desal.2025.119375","DOIUrl":"10.1016/j.desal.2025.119375","url":null,"abstract":"<div><div>Nanostructured membranes represent a cutting-edge solution at the forefront of addressing the global water crisis, with great potential to enable next-generation of water desalination technologies. In this scenario, this study investigates the potential of 2- and 3-triangulene Kagome-Graphene (KG) membranes for desalination using Molecular Dynamics (MD) simulations. Simulations were performed with sodium chloride (NaCl) solutions at concentrations of 0.5 M and 1.0 M, under external electric fields (EF) ranging from 0 to 0.53 V nm<span><math><msup><mrow></mrow><mrow><mo>−</mo><mn>1</mn></mrow></msup></math></span>. The results show that <figure><img></figure> ions exhibit greater mobility than <figure><img></figure> ions, depending of EF strength and the membrane. In higher fields, <figure><img></figure> and <figure><img></figure> migrate in opposite directions, with a nearly complete separation achieved at 0.53 V nm<span><math><msup><mrow></mrow><mrow><mo>−</mo><mn>1</mn></mrow></msup></math></span>. The 2-triangulene membrane exhibits superior ion rejection and selectivity compared to the 3-triangulene membrane, effectively inhibiting ion transport while maintaining water flux, even in the absence of an applied field. Both systems exhibit non-ohmic ionic transport across the entire spectrum of EF examined, although a transition to an ohmic regime is noted in the low-field limit. At EF <span><math><mo>&lt;</mo></math></span>0.18 V nm<span><math><msup><mrow></mrow><mrow><mo>−</mo><mn>1</mn></mrow></msup></math></span>, nearly complete ion rejection is observed in the 2-triangulene membrane, highlighting its high selectivity and potential for future desalination technologies.</div></div>","PeriodicalId":299,"journal":{"name":"Desalination","volume":"617 ","pages":"Article 119375"},"PeriodicalIF":9.8,"publicationDate":"2025-09-17","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145119593","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}