DesalinationPub Date : 2025-09-26DOI: 10.1016/j.desal.2025.119438
Shehriyar , Arslan Khurram , Abdul Jabbar , Muhammad Asim Khan , Wenhao Liu , Sadaf Mutahir , Akhtar Munir , Sameerah I. Al-Saeedi
{"title":"pH-responsive MIL-101(Fe)/NiFe-LDH composite membranes for high-flux removal of cationic and anionic dyes in wastewater treatment","authors":"Shehriyar , Arslan Khurram , Abdul Jabbar , Muhammad Asim Khan , Wenhao Liu , Sadaf Mutahir , Akhtar Munir , Sameerah I. Al-Saeedi","doi":"10.1016/j.desal.2025.119438","DOIUrl":"10.1016/j.desal.2025.119438","url":null,"abstract":"<div><div>Synthetic dyes, known for their toxicity, mutagenicity, and carcinogenicity, pose severe threats to aquatic ecosystems and human health. Membrane filtration offers an energy-efficient solution, but achieving simultaneously high selectivity, permeability, and stability for both cationic and anionic dyes remain challenging. Here, we design a hierarchical composite membrane by integrating MIL-101(Fe), a high-porosity metal-organic framework (MOF), with NiFe-layered double hydroxide (LDH) nanosheets. The MIL-101(Fe) matrix provides a large surface area (∼19.2 m<sup>2</sup>/g) and tailored pore architecture for size-selective adsorption. At the same time, the NiFe-LDH enhances electrostatic interactions via its pH-tunable surface charge (isoelectric point = 3.16). This synergy enables exceptional removal efficiencies for methyl green (MG, 88 %) and methyl orange (MO, 91 %) at ultrahigh water flux (>100 L·m<sup>−2</sup>·h<sup>−1</sup>·bar<sup>−1</sup>), outperforming conventional membranes (Table S1). The membrane's pH-responsive selectivity, driven by zeta potential reversal, allows targeted removal of cationic (e.g., MG at pH > 3.16) and anionic (e.g., MO at pH < 3.16) dyes. Density functional theory (DFT) simulations reveal that MG adsorption occurs via π-π stacking with MIL-101's benzene linkers and electrostatic attraction to LDH hydroxyl groups. In contrast, MO uptake involves anion exchange with LDH interlayers. With excellent recyclability (>80 % efficiency after 5 cycles) and antifouling properties (flux recovery >90 %), this work advances the design of multifunctional membranes for scalable wastewater treatment.</div></div>","PeriodicalId":299,"journal":{"name":"Desalination","volume":"617 ","pages":"Article 119438"},"PeriodicalIF":9.8,"publicationDate":"2025-09-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145217765","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 phosphoryl group and sulfur vacancy engineering on MoS₂ nanosheets for highly efficient electrochemical uranium extraction","authors":"Minnan Xiao, Bin Huang, Tianxiang Jin, Chunpei Yan, Zhirong Liu, Yong Qian","doi":"10.1016/j.desal.2025.119444","DOIUrl":"10.1016/j.desal.2025.119444","url":null,"abstract":"<div><div>Extracting uranium from nuclear wastewater is critical for environmental protection and sustainable nuclear energy. Conventional electrochemical methods suffer from limited adsorption capacity and slow kinetics. In this work, phosphorus-oxygen co-doped MoS₂ nanosheets with sulfur vacancies were designed and synthesized as an advanced electrode material. Synergistic effects from phosphoryl groups and sulfur vacancies enhance uranyl ion capture via coordination, electrostatic attraction, and electrochemical reduction. At −0.9 V applied potential, PO-MoS₂ achieves a high adsorption capacity of 501.79 mg g<sup>−1</sup>, significantly exceeding the 120.85 mg g<sup>−1</sup> of O-MoS₂ at pH=5.0, and removes 99.5 % U (VI) within 20 min. The material retains over 82.0 % efficiency after 6 cycles. Mechanistic studies confirm U(VI) reduction to insoluble U(IV) species, while density functional theory calculations validate strong uranyl ions -phosphoryl coordination. This strategy provides a high-performance electrode for efficient uranium extraction.</div></div>","PeriodicalId":299,"journal":{"name":"Desalination","volume":"618 ","pages":"Article 119444"},"PeriodicalIF":9.8,"publicationDate":"2025-09-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145322597","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}
DesalinationPub Date : 2025-09-26DOI: 10.1016/j.desal.2025.119447
Hongyuan Yin, Fenghua Zhang, Zongkai Ma, Xiangyu Wang, Xusheng Wang, Feihang Long, Maoqian Xie, Jianyun He, Ying An, Weimin Yang
{"title":"Recent advances on enhancing the solar distillation systems through the condensate-side","authors":"Hongyuan Yin, Fenghua Zhang, Zongkai Ma, Xiangyu Wang, Xusheng Wang, Feihang Long, Maoqian Xie, Jianyun He, Ying An, Weimin Yang","doi":"10.1016/j.desal.2025.119447","DOIUrl":"10.1016/j.desal.2025.119447","url":null,"abstract":"<div><div>Solar distillation has attracted widespread attention as an environmentally friendly and easy-to-operate water treatment technology. While significant research efforts have been devoted to optimizing the structural design of solar stills and improving photothermal conversion efficiency, relatively limited attention has been paid to the enhancement of the condensation process. The low condensation efficiency often results in a substantial gap between the actual water collection rate and the theoretical yield or evaporation rate. We review current strategies and mechanisms for enhancing condensation in solar stills and analyse their critical role in the overall performance of solar distillation systems. Key topics include surface design strategies for condensation, optimization of surface wettability, the impact of micro/nanostructures on condensation efficiency, as well as structural innovations and the integration of advanced cooling technologies to enhance condensation. Furthermore, we examine the balance between enhanced condensation and evaporation processes based on the internal heat and mass transfer dynamics of the distillation system. Finally, we recommend that future research on solar distillation systems focus on the integration of efficient passive and active cooling technologies, bioinspired micro/nanostructured designs, hybrid wettability surface engineering, modular system architectures, and AI-assisted optimization. These strategies aim to enhance condensation efficiency, system flexibility, and environmental adaptability, ultimately enabling the development of high-performance, intelligent, and sustainable solar distillation solutions.</div></div>","PeriodicalId":299,"journal":{"name":"Desalination","volume":"617 ","pages":"Article 119447"},"PeriodicalIF":9.8,"publicationDate":"2025-09-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145218263","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}
DesalinationPub Date : 2025-09-26DOI: 10.1016/j.desal.2025.119439
Shuwei Jia , Jun Wei , Xinyu Ma , Zhi Wang
{"title":"Fabrication of enhanced Mg2+/Li+-selective membranes via aminoacetonitrile-modulated PEI/TMC interfacial polymerization","authors":"Shuwei Jia , Jun Wei , Xinyu Ma , Zhi Wang","doi":"10.1016/j.desal.2025.119439","DOIUrl":"10.1016/j.desal.2025.119439","url":null,"abstract":"<div><div>High-efficiency lithium extraction from salt lakes is pivotal to meet escalating lithium demand driven by energy storage and electric vehicle industries. In this study, the small-molecule aminoacetonitrile (AAN) was introduced as an aqueous-phase <em>co</em>-monomer to modulate the interfacial polymerization process between polyethyleneimine (PEI) and trimesoyl chloride (TMC). Specifically, the primary amine in AAN molecules reacted with acyl chloride moieties in TMC, occupying reaction sites and thereby preserving a larger fraction of unreacted primary amine groups on the PEI chains within the separation layer, which significantly enhanced the membrane's surface positive charge. Simultaneously, the nitrile groups of AAN preferentially coordinated with Li<sup>+</sup> ions to effectively counteract the repulsive effect of the strongly positively charged membrane surface on Li<sup>+</sup>. This “charge-coordination” synergistic mechanism enabled precise control over the separation process. When treating mixed salt solution with a Mg<sup>2+</sup>/Li<sup>+</sup> mass ratio of 100, the optimized membrane achieved a separation factor of 74.7, along with enhanced MgCl<sub>2</sub> rejection of 99.3 % compared to virgin membrane's 93.9 %, and reduced LiCl rejection from 56.3 % to 49.3 %. Notably, upon treatment of simulated salt lake brine, the membrane manifested a pronounced Li<sup>+</sup> enrichment effect, with a LiCl rejection rate of −8.8 % while retaining a high MgCl<sub>2</sub> rejection capacity. This study employed a simple preparation process with industrialization potential, providing a guiding strategy for constructing high-selectivity membranes for Mg<sup>2+</sup>/Li<sup>+</sup> separation.</div></div>","PeriodicalId":299,"journal":{"name":"Desalination","volume":"617 ","pages":"Article 119439"},"PeriodicalIF":9.8,"publicationDate":"2025-09-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145217760","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}
DesalinationPub Date : 2025-09-26DOI: 10.1016/j.desal.2025.119443
Hiba Chebli , Nicola Bellantuono , Philip A. Davies , Francesco Fornarelli
{"title":"Application of multi-criteria decision-making for seawater desalination: A review","authors":"Hiba Chebli , Nicola Bellantuono , Philip A. Davies , Francesco Fornarelli","doi":"10.1016/j.desal.2025.119443","DOIUrl":"10.1016/j.desal.2025.119443","url":null,"abstract":"<div><div>Seawater desalination is one of the most important alternatives for freshwater supply. Several technologies have been proposed to produce freshwater. Ranking, identifying, and selecting the most appropriate system and location for the desalination process among multiple options is challenging due to the advantages and disadvantages of each system. Mult-criteria decision-making (MCDM) methods address this challenge by integrating economic, technical, environmental, and social criteria. This paper aims to review the scientific literature that has applied MCDM as a key tool to evaluate the alternatives. The results of the conducted research are categorized according to their primary objectives, and the criteria on which the evaluation was based are discussed. The paper also aims to provide a comprehensive overview of the MCDM methods used and to distinguish the main limitations of these methods in evaluating technologies and selecting desalination plant locations. The findings of this review indicate that the Analytic Hierarchy Process (AHP) is the most commonly employed method for assigning weights to the criteria, while the Technique for Order Preference by Similarity to Ideal Solution (TOPSIS) method is then used to rank the alternatives. Finally, this review highlights that identifying the best alternative is challenging due to the subjective nature of decision-making processes, which can result in varying rankings based on specific goals, available data, and expert judgments.</div></div>","PeriodicalId":299,"journal":{"name":"Desalination","volume":"617 ","pages":"Article 119443"},"PeriodicalIF":9.8,"publicationDate":"2025-09-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145218262","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}
DesalinationPub Date : 2025-09-26DOI: 10.1016/j.desal.2025.119446
Na Li , Bingyan Wu , Jiulong Yin , Meng Li , Xuan Zhang
{"title":"Surface functional groups related organic fouling on polyamide membranes: A molecular dynamics study","authors":"Na Li , Bingyan Wu , Jiulong Yin , Meng Li , Xuan Zhang","doi":"10.1016/j.desal.2025.119446","DOIUrl":"10.1016/j.desal.2025.119446","url":null,"abstract":"<div><div>In many applications, organic fouling poses a significant limitation to polyamide reverse osmosis (RO) membranes. Extensive efforts in the past have mostly provided macroscopic-scale experimental validations; however, a deep understanding of the existing co-ion fouling mechanism is still in its infancy. Herein, using molecular dynamics (MD) simulations, we report how specific surface functional groups (–COOH, –NH<sub>2</sub>, and –CONH–) on the RO membrane surface work and contribute to organic fouling. Our results indicate that functional group-initiated organic fouling is mainly ascribed to electrostatic interactions, supplemented by ionic bonding, hydrogen bonding, and hydrophobic interactions. Density functional theory (DFT) calculations revealed the RO system containing carboxylic acid groups was subject to a “bridge-effect” to typical foulants (e.g., alginate) on the membrane surface, whereas the amino groups had an even increased probability of bonding to alginate in solution, both of which were markedly influenced by the electrostatic interaction, exacerbating the organic fouling. In contrast, a hypothetical RO system with neat amide linkages was proven to have the least number of interactions between the membrane surface and contaminants, resulting in notably enhanced fouling resistance. Overall, our simulations offer a dynamic framework for elucidating molecular-level fouling mechanisms, which may navigate the future development of antifouling reverse osmosis membranes.</div></div>","PeriodicalId":299,"journal":{"name":"Desalination","volume":"617 ","pages":"Article 119446"},"PeriodicalIF":9.8,"publicationDate":"2025-09-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145217721","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":"Photocatalytic removal of textile dyes: Analytical strategies for post-degradation evaluation","authors":"Md. Khalid Hossain Shishir , Md. Shoyeb Akand , Mohshin Maola , Maria Ferdusi Monira , Md. Rifat , Nafis Rahman Sayeem , Al Masud , Sukanta Mondal , Gazi Md. Arifuzzaman Khan","doi":"10.1016/j.desal.2025.119437","DOIUrl":"10.1016/j.desal.2025.119437","url":null,"abstract":"<div><div>Textile dye pollution poses a serious threat to aquatic ecosystems due to the complex, stable and often toxic nature of synthetic dyes. Photocatalytic degradation, a green and efficient advanced oxidation process, has emerged as a promising solution for removing persistent dye pollutants. This systematic review critically explores the advancements in photocatalytic degradation of textile dyes, highlighting various catalysts, including semiconductors, doped semiconductors and composite nanomaterials. Key operational parameters, such as pH, light intensity, catalyst dosage and dye concentration, are examined for their influence on degradation efficiency. Additionally, this review focuses on post-degradation analytical strategies to evaluate the extent of mineralization and toxicity reduction. Identifying and analyzing degradation products is crucial to ensure complete mineralization and detect any harmful intermediates. However, limited knowledge of suitable analytical techniques often leads to challenges in accurate identification, which can risk misinterpretation or overlook key byproducts. Techniques such as UV–Vis spectroscopy, Raman spectroscopy, TOC analysis, HPLC, FTIR, ICP-MS and GC–MS are discussed in detail for their roles in monitoring dye breakdown, identifying intermediate products and assessing complete mineralization. The interplay between photocatalyst properties, operational parameters and analytical methodologies is highlighted, providing insights into optimizing degradation processes and ensuring reliable assessment of dye removal. By integrating photocatalytic performance with robust post-degradation evaluation, this review aims to guide future research toward more efficient, sustainable and analytically sound strategies for wastewater treatment in the textile industry.</div></div>","PeriodicalId":299,"journal":{"name":"Desalination","volume":"617 ","pages":"Article 119437"},"PeriodicalIF":9.8,"publicationDate":"2025-09-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145218264","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}
DesalinationPub Date : 2025-09-25DOI: 10.1016/j.desal.2025.119442
Houcheng Zhang , Zepei Lang , Huizhen Liu , Changgan Lai , Hui Chen , Xinyan Zhou , Jianming Li
{"title":"Integration of phosphoric acid fuel cells and humidification-dehumidification units for simultaneously electricity and freshwater production","authors":"Houcheng Zhang , Zepei Lang , Huizhen Liu , Changgan Lai , Hui Chen , Xinyan Zhou , Jianming Li","doi":"10.1016/j.desal.2025.119442","DOIUrl":"10.1016/j.desal.2025.119442","url":null,"abstract":"<div><div>Despite extensive studies on phosphoric acid fuel cells (PAFCs) and humidification-dehumidification (HDH) units individually, their integrated operation remains unexplored. This study proposes and evaluates a novel hybrid system integrating a PAFC with a HDH desalination unit to simultaneously generate electricity and produce freshwater. A steady-state model, incorporating electrochemical, thermodynamic, and mass-transfer principles, is established and validated against independent experimental data for each subsystem. At the optimal operating temperature of 457 K, the hybrid system achieves a peak power density of 5532.35 W·m<sup>−2</sup>, energy efficiency of 48.20 %, and exergy efficiency of 51.21 %, representing respective gains of 9.81 %, 9.89 %, and 14.08 % over a standalone PAFC. The HDH unit attains a maximum gain output ratio of 11.13 at 446 K, demonstrating substantial freshwater production capability from PAFC waste heat. Parametric and local sensitivity analyses reveal that electrolyte membrane thickness and operating current density are the most influential variables, followed by humidifier area and exchange current density. These findings underscore the potential of PAFC/HDH integration as a sustainable solution for decentralized power and water supply, particularly in energy- and water-scarce regions, and provide guidance for performance-oriented design and operational optimization.</div></div>","PeriodicalId":299,"journal":{"name":"Desalination","volume":"617 ","pages":"Article 119442"},"PeriodicalIF":9.8,"publicationDate":"2025-09-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145217818","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}
DesalinationPub Date : 2025-09-24DOI: 10.1016/j.desal.2025.119441
Mina Shawky Adly , Salma M. Abo Kamar , Mohamed Noufal , Soheir A. EL-Hakam , Awad I. Ahmed , Amr Awad Ibrahim
{"title":"A flexible photothermal device based on silver nanoparticle-integrated cellulose matrix for interfacial solar steam generation: Rethink waste and reinvigorate water","authors":"Mina Shawky Adly , Salma M. Abo Kamar , Mohamed Noufal , Soheir A. EL-Hakam , Awad I. Ahmed , Amr Awad Ibrahim","doi":"10.1016/j.desal.2025.119441","DOIUrl":"10.1016/j.desal.2025.119441","url":null,"abstract":"<div><div>One of the most promising strategies for addressing the recent challenges in freshwater resources and energy consumption is interfacial solar steam generation (ISSG). An innovative photoreceiver constructed from a biochar (BC) matrix with Ag NPs for effective steam generation was studied to assess desalination efficiency under irradiation of one sun (1 kW m). The synthesized nanocomposites were embedded in rayon fibers, which were prepared using a simple and inexpensive cuprammonium process. The plasmonic effect of Ag NPs allows the Ag@BC-Rayon system to exhibit strong light absorption across a wide wavelength range of 280 to 2500 nm. The nanocomposite demonstrated exceptional efficiency, reaching 85.1 %, and an outstanding vaporization flux of 1.39 kg m<sup>−2</sup> h<sup>−1</sup> throughout one sun irradiation. Additionally, the fabricated photothermal device achieved a higher surface temperature of 44.0 °C after only 5 min of irradiation. The constructed ISSG device displayed good stability and durability after 10 cycles using saline water. The photothermal components require few and inexpensive materials, which will also bring significant economic benefits.</div></div>","PeriodicalId":299,"journal":{"name":"Desalination","volume":"617 ","pages":"Article 119441"},"PeriodicalIF":9.8,"publicationDate":"2025-09-24","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145217759","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}
DesalinationPub Date : 2025-09-24DOI: 10.1016/j.desal.2025.119434
Jun Ho Park , Enrica Fontananova , Francesco Galiano , Alberto Figoli , Raffaella Mancuso , Bartolo Gabriele , Tae Kyung Lee , Chi Hoon Park , Elena Tocci , Sang Yong Nam
{"title":"From chain length to ion diffusion: Molecular insights into phosphonium-based polymerized ionic liquid membranes for energy applications","authors":"Jun Ho Park , Enrica Fontananova , Francesco Galiano , Alberto Figoli , Raffaella Mancuso , Bartolo Gabriele , Tae Kyung Lee , Chi Hoon Park , Elena Tocci , Sang Yong Nam","doi":"10.1016/j.desal.2025.119434","DOIUrl":"10.1016/j.desal.2025.119434","url":null,"abstract":"<div><div>The development of high-performance anion exchange membranes (AEMs) is essential for advanced electrochemical technologies such as alkaline fuel cells and water electrolysis. Here, we investigate the influence of phosphonium side chain length on structural hydration and chloride ion transport in polymerized ionic liquid (MPIL) membranes. Atomistic molecular dynamics simulations are conducted on hydrated MPIL systems with ethyl, butyl, and octyl n-alkyl substituents, and simulation results are validated against experimental data for water uptake and ionic conductivity.</div><div>Shorter side chains (ethyl) significantly enhance water uptake (≈81 wt%) and promote the formation of interconnected hydrophilic channels, resulting in markedly higher Cl<sup>−</sup> ionic conductivity. In contrast, longer chains (octyl) restrict water accessibility and confine ion diffusion within localized hydrophilic domains, favoring ion retention tendency at the expense of transport efficiency. Intermediate chain length (butyl) yields a balanced morphology, combining moderate hydration with controllable ion mobility.</div><div>Quantitative analyses, including pore connectivity descriptors, ion–ion association free energies from RDF integration, and backbone–water interaction profiles, consistently confirm that steric hindrance modulates hydration shell formation, ion pairing, and channel percolation. This molecular-level insight suggests that alkyl chain engineering provides a tunable parameter for optimizing trade-offs between ion conductivity and relative mobility control in MPIL-based AEMs. The combined computational and experimental results provide practical guidelines for designing next-generation membranes for desalination, electrochemical conversion, and energy storage.</div></div>","PeriodicalId":299,"journal":{"name":"Desalination","volume":"617 ","pages":"Article 119434"},"PeriodicalIF":9.8,"publicationDate":"2025-09-24","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145217722","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}