Colloids and Surfaces A: Physicochemical and Engineering Aspects最新文献

{"title":"A novel BiTaO4-based anode material for high -performance lithium/sodium-ion batteries","authors":"Xin Zhao,&nbsp;Xuejin Deng,&nbsp;Jianyin Zhang,&nbsp;Limin Zhang","doi":"10.1016/j.colsurfa.2025.137576","DOIUrl":"10.1016/j.colsurfa.2025.137576","url":null,"abstract":"<div><div>The advancement of sodium-ion batteries (SIBs) and lithium-ion batteries (LIBs) relies on the development of anode materials. In this study, we produced innovative anode materials for LIBs and SIBs, specifically bismuth tantalate (BiTaO₄) and its carbon-coated composite (BiTaO₄@C), using a solid-phase reaction and mechanical ball milling, respectively. The effective synthesis of BTO@C was confirmed through structural and morphological analyses, which demonstrated that the carbon coating enhances conductivity and mitigates volume expansion. Electrochemical measurements revealed that BTO@C exhibited exceptional performance in LIBs, achieving a reversible capacity of 371 mA h g⁻¹ after 100 cycles at 100 mA g⁻¹, along with outstanding rate capability. In SIBs, BTO@C maintained a stable capacity of 145.1 mA h g⁻¹ after 100 cycles. Kinetic studies revealed a mixed capacitive-diffusion charge storage mechanism, with carbon coating significantly reducing charge transfer resistance and enhancing ion diffusion. These findings indicate that BTO@C is a promising anode material for high-efficiency energy storage systems, providing improved cycling stability and rate performance.</div></div>","PeriodicalId":278,"journal":{"name":"Colloids and Surfaces A: Physicochemical and Engineering Aspects","volume":"725 ","pages":"Article 137576"},"PeriodicalIF":4.9,"publicationDate":"2025-06-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144491565","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Chemical properties and interfacial behavior of fluids during enhanced oil recovery under direct current electric fields","authors":"Qiang Li ,&nbsp;Zhengfu Ning ,&nbsp;Xiqian Zheng ,&nbsp;Yuheng Yang ,&nbsp;Jun Li ,&nbsp;Zejiang Jia","doi":"10.1016/j.colsurfa.2025.137591","DOIUrl":"10.1016/j.colsurfa.2025.137591","url":null,"abstract":"<div><div>Carbonate reservoirs are characterized by low oil recovery and complex residual oil distribution due to their strong heterogeneity. Electro-assisted enhanced oil recovery technology has emerged as a promising, efficient, and environmentally friendly approach for improving oil displacement efficiency. However, the oil-water-rock interfacial characteristics remain a critical challenge in optimizing the performance of electro-assisted oil recovery. In this study, long-core displacement experiments integrated with nuclear magnetic resonance fluid distribution characterization were conducted, along with interfacial tension, wettability, Zeta potential, and molecular functional group analyses, to investigate the mechanisms by which the timing of electric field application influences oil-water-rock interfacial behavior. The results indicate that applying an electric field after the water-free oil production period is the most effective strategy, leading to a 16.90 % increase in oil recovery compared to conventional water flooding. Early-stage electric field application suppresses the formation of preferential water flow channels, effectively delaying water breakthrough and enhancin displacement efficiency. Furthermore, the introduction of an electric field significantly reduces injection pressure and enhances oil mobilization in various pore structures. Specifically, in the water-electric coupled flooding mode, the peak pressure decreased from 11.47 MPa (water flooding) to 5.74 MPa, while post-water-flood electric field application improved low-permeability oil mobilization to 40.98 % and increased macropore oil displacement efficiency from 45.30 % to 49.89 %. The enhanced oil recovery performance is primarily attributed to electric field-induced interfacial tension reduction and wettability alteration, which enhance displacement efficiency, expand sweep efficiency, and improve oil film detachment. Additionally, molecular-scale electrochemical processes facilitate hydrocarbon restructuring, indicated by an increase in asphaltene content to 10.77 % in the produced oil and a 30 % reduction in the COOH/COO^- ratio, which stabilizes interfacial activity, increases rock surface hydrophilicity, and improves crude oil mobility. This study integrates macroscopic oil displacement experiments with microscopic interfacial mechanism analysis to elucidate how electric fields modulate oil-water-rock interactions and influence fluid distribution in porous media. By examining the chemical reactions and compositional changes induced by electric fields, this research provides new insights and theoretical guidance for the electro-assisted development of carbonate reservoirs.</div></div>","PeriodicalId":278,"journal":{"name":"Colloids and Surfaces A: Physicochemical and Engineering Aspects","volume":"725 ","pages":"Article 137591"},"PeriodicalIF":4.9,"publicationDate":"2025-06-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144491502","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"LDH enhanced multifunctional durable superhydrophobic anti-corrosion coating with self-healing, anti-fouling and anti-icing properties","authors":"Yan Zhang ,&nbsp;Ying Wang ,&nbsp;Ningbo Hu ,&nbsp;Lin Liu ,&nbsp;Xiaobing Zhao ,&nbsp;Guanggui Cheng ,&nbsp;Ningyi Yuan ,&nbsp;Jianning Ding","doi":"10.1016/j.colsurfa.2025.137575","DOIUrl":"10.1016/j.colsurfa.2025.137575","url":null,"abstract":"<div><div>Inspired by nature, a rough surface with micro-nano structure was constructed on Mg alloy by combining etching and in-situ growth layered double hydroxide (LDH). Then the mixture of low surface energy substances methyltrimethoxysilane (MTMS) and hexadecyltrimethoxysilane (HDTMS) was used for surface grafting. The composite coating thus prepared had superhydrophobicity, and the water contact angle (CA) was 157° and the sliding angle (SA) was&lt; 10°. Under the impact of 0.44 m/s water droplets, the obtained composite coating maintained superhydrophobicity. The excellent water repellency endowed the composite coating with anti-fouling capability against contaminants such as mud and ink, as well as anti-icing properties. MTMS enhanced the ordering of HDTMS long-chain alkanes, forming a denser silane network that improved the corrosion resistance, chemical stability and mechanical stability of the coating. The coating reduced the corrosion current density of Mg alloy by 5 orders of magnitude, and it also showed self-repair performance. After soaking in 3.5 wt% NaCl solution for 14 days, the |Z|_0.01HZ was still in <em>a</em> high order of magnitude (above 10⁵). The CA was still as high as 150° (SA&lt;10°) after being exposed to air or immersing in NaCl solution for 30 days, or 50 cycles of sandpaper abrasion or 90 cycles of tape peeling. This method provided a new idea for creating a superhydrophobic multifunctional coating on the surface of Mg alloy, which integrated long-term anti-corrosion, self-repairing properties, self-cleaning, anti-icing and chemical/mechanical durability, having broad application prospects in various industrial fields.</div></div>","PeriodicalId":278,"journal":{"name":"Colloids and Surfaces A: Physicochemical and Engineering Aspects","volume":"725 ","pages":"Article 137575"},"PeriodicalIF":4.9,"publicationDate":"2025-06-24","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144469991","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Novel framework for PDMS membrane characterization: Droplet induced indentation and machine learning classification","authors":"Syed Ahsan Haider,&nbsp;Abhishek Raj","doi":"10.1016/j.colsurfa.2025.137581","DOIUrl":"10.1016/j.colsurfa.2025.137581","url":null,"abstract":"<div><div>We present a novel approach for determining the Young's Modulus of PDMS membranes by analyzing the bulge depth induced by a sessile droplet. The combined effects of Laplace pressure and droplet weight produce a measurable indentation. Statistical analysis revealed significant variations in bulge depth across PDMS compositions (10:1, 15:1, 20:1 elastomer-to-curing-agent ratio). To establish a correlation between Young’s Modulus and membrane deformation, droplet size, shape, and contact angles, we developed analytical models based on three strain assumptions: zero tangential strain, equal radial and tangential strain, and plane strain. While all models captured the trend of increasing stiffness with higher elastomer content, the zero tangential strain approach demonstrated the highest accuracy. This model estimated Young's Modulus for PDMS membranes as follows: (a) 10:1 ratio: <span><math><mrow><mi>E</mi><mo>=</mo><mn>2.51</mn><mo>±</mo><mn>0.14</mn><mi>MPa</mi></mrow></math></span>, (b) 15:1 ratio: <span><math><mrow><mi>E</mi><mo>=</mo><mn>1.14</mn><mo>±</mo><mn>0.24</mn><mi>MPa</mi></mrow></math></span>, and (c) 20:1 ratio: <span><math><mrow><mi>E</mi><mo>=</mo><mn>0.97</mn><mo>±</mo><mn>0.16</mn><mi>MPa</mi></mrow></math></span>. These estimates align with reported values, confirming that for thin membranes (20–110 µm), the zero tangential strain model best describes deformation behavior. Additionally, machine learning algorithms—including Logistic Regression, SVM, Gradient Boosting, and Random Forest—achieved high classification accuracy <span><math><mrow><mo>(</mo><mo>≥</mo><mspace></mspace><mn>0.96</mn></mrow></math></span>) in distinguishing membrane composition based on droplet shape, contact angle, and membrane deformation. This study presents a valuable framework for characterizing thin PDMS membrane mechanics, with significant implications for microfluidic device design.</div></div>","PeriodicalId":278,"journal":{"name":"Colloids and Surfaces A: Physicochemical and Engineering Aspects","volume":"725 ","pages":"Article 137581"},"PeriodicalIF":4.9,"publicationDate":"2025-06-24","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144501126","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Structural design of functionalized multilayer magnetic starch-based biosorbent and its efficient adsorption of moxifloxacin","authors":"Erming Ouyang ,&nbsp;Zhe Hu ,&nbsp;Jie Zhang ,&nbsp;Xinrui Huang ,&nbsp;Xincheng Jiang ,&nbsp;Rui Zhao ,&nbsp;Hongwei Yang","doi":"10.1016/j.colsurfa.2025.137583","DOIUrl":"10.1016/j.colsurfa.2025.137583","url":null,"abstract":"<div><div>Developing effective and recyclable adsorbents to remove moxifloxacin (MOX) from wastewater is crucial for the ecological safety. Herein, novel functionalized multilayer magnetic starch-based biosorbent (FStS) with specific morphological and structure was successfully fabricated to remove MOX. Physicochemical properties of FStS were analyzed by various characterizations. The influence of pH, temperature, concentration, contact time, ionic strength and naturally dissolved organic matter on the adsorption of MOX by FStS were comprehensively investigated. The results indicated that FStS exhibited good adsorption performance for MOX and displayed a wide pH adaptability range (6.0–10.0). The adsorption process was well depicted by the Freundlich isotherm model and pseudo-second-order kinetic model. Additionally, FStS possessed good magnetic separation ability and could be effectively regenerated. Through a series of analyses, the adsorption of MOX on FStS was mainly controlled by the electrostatic interaction, hydrogen bonding and π-π interaction. Thus, FStS is a promising biosorbent to effectively remove MOX from wastewater.</div></div>","PeriodicalId":278,"journal":{"name":"Colloids and Surfaces A: Physicochemical and Engineering Aspects","volume":"725 ","pages":"Article 137583"},"PeriodicalIF":4.9,"publicationDate":"2025-06-24","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144514000","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Synergistic coupling of bimetallic phosphides heterojunction derived from MOF on LDH structure for enhanced electrocatalytic oxygen evolution","authors":"Ying Li,&nbsp;Yijie Yang,&nbsp;Yuanhang Wu,&nbsp;Shuhuai Zhang,&nbsp;Mengxinyue Zhang,&nbsp;Xiaoxiao Zhang,&nbsp;Yanan Xue,&nbsp;Yanping Liu,&nbsp;Jianzhi Wang","doi":"10.1016/j.colsurfa.2025.137582","DOIUrl":"10.1016/j.colsurfa.2025.137582","url":null,"abstract":"<div><div>Rational design of catalyst architectures to minimize active site aggregation represents a critical strategy for enhancing oxygen evolution reaction (OER) efficiency. Herein, we reported a high-efficiency electrocatalyst (Fe₂P-Ni₂P/NF) with a multiphase heterostructure and dispersed active sites using a morphology process that combines small-sized prussian blue analog stereotypes with nano-ceramics. Benefiting from the polycrystalline heterogeneous structure and abundant active sites, the Fe₂P-Ni₂P/NF catalyst in 1.0 M KOH only requires overpotentials of 177 mV and 254 mV to reach current densities of 50 and 200 mA cm⁻², respectively, with an exceptionally Tafel slope of 42 mV dec⁻¹ and remarkable stability. In addition, the two-electrode system consisting of Fe₂P-Ni₂P/NF is able to achieve a current density of 10 mA cm⁻² at 1.44 V. X-ray photoelectron spectroscopy (XPS) also confirms the formation of a dual-protective NiOOH/FeOOH layer on the phosphide surface during OER. This work establishes a novel interface engineering paradigm for designing robust electrocatalysts operable under industrial-level current densities.</div></div>","PeriodicalId":278,"journal":{"name":"Colloids and Surfaces A: Physicochemical and Engineering Aspects","volume":"725 ","pages":"Article 137582"},"PeriodicalIF":4.9,"publicationDate":"2025-06-24","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144514003","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Corrosion behavior and underlying mechanisms of Sn-58Bi solder balls surfaces induced by EDTA, HEDP, DTPMPA, and DTPA via chelation reactions","authors":"Yijie Luo,&nbsp;Tongju Wang,&nbsp;Wenqian Zhang","doi":"10.1016/j.colsurfa.2025.137585","DOIUrl":"10.1016/j.colsurfa.2025.137585","url":null,"abstract":"<div><div>Sn58Bi solder balls are crucial interconnect materials for low-temperature electronic packaging; however, their susceptibility to oxidation and corrosion compromises their reliability. This research hypothesizes that complexing agents can form stable complexes with metal ions through hydroxyl, carboxyl, phosphonic acid, and nitrogen atoms, which would enhance the surface activity of Sn58Bi. This research systematically evaluated the chelating effects and mechanisms of four complexing agents—Ethylenediaminetetraacetic acid (EDTA), Diethylenetriamine pentaacetic acid (DTPA), Diethylenetriamine penta(methylene-phosphonic acid) (DTPMPA), and Etidronic acid (HEDP)—on Sn58Bi surfaces. Through comprehensive electrochemical testing, static weight loss experiments, and surface analyses (Scanning Electron Microscopy (SEM), Laser Scanning Confocal Microscopy (LSCM), X-ray Photoelectron Spectroscopy (XPS)) results indicate that these complexing agents significantly increase the corrosion current, reduce the corrosion potential, and accelerate corrosion-induced weight loss in HCl solution. These findings confirm their effective chelation and removal of surface metal ions. Surface morphology analysis further reveals variations in corrosion pit characteristics attributable to different complexing agents. All test results consistently rank the chelating ability of the agents as follows: DTPA &gt; DTPMPA &gt; EDTA &gt; HEDP. Mechanistic analysis shows that DTPA, due to its molecular structure, forms multi-dentate ring-shaped complexes with metal ions through eight coordination bonds, exhibiting the highest chelating efficiency and structural stability, which is key to its superior chelating effects.</div></div>","PeriodicalId":278,"journal":{"name":"Colloids and Surfaces A: Physicochemical and Engineering Aspects","volume":"725 ","pages":"Article 137585"},"PeriodicalIF":4.9,"publicationDate":"2025-06-24","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144491567","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Flotation mechanism of chalcopyrite separation from sphalerite and pyrite using 2-aminobenzothiazole","authors":"Mohammed Kabashi ,&nbsp;Ruihua Fan ,&nbsp;Xu Jiang ,&nbsp;Wanjia Zhang ,&nbsp;Sheng Jian ,&nbsp;Shihong Xu ,&nbsp;Zhiyong Gao","doi":"10.1016/j.colsurfa.2025.137584","DOIUrl":"10.1016/j.colsurfa.2025.137584","url":null,"abstract":"<div><div>The development of eco-friendly and effective collectors for sulfide mineral flotation is a key area of research. This study explores the selectivity of 2-Aminobenzothiazole (CS-1) as a novel collector for the flotation separation of chalcopyrite from sphalerite and pyrite, compared to the conventional collector, sodium ethyl xanthate (SEX). Micro-flotation tests showed that CS-1 effectively floated chalcopyrite with a recovery of over 90 % at pH 8, while flotation of sphalerite and pyrite was minimal (15.58 % and 13.54 %, respectively). Zeta potential and X-ray photoelectron spectroscopy analyses revealed that CS-1 adsorbs onto chalcopyrite, forming C-S-C functional groups that enhance chemical bonding between CS-1 and chalcopyrite. Density functional theory calculations confirmed the selective interaction of CS-1 with the Fe sites on the chalcopyrite, with minimal/negligible interactions on either sphalerite or pyrite. These findings highlight the distinct flotation behavior of chalcopyrite relative to sphalerite and pyrite. The selective adsorption of CS-1 on chalcopyrite surfaces under mildly alkaline conditions drives its distinct flotation response, suggesting the potential of CS-1 for the efficient separation of chalcopyrite from pyrite and sphalerite.</div></div>","PeriodicalId":278,"journal":{"name":"Colloids and Surfaces A: Physicochemical and Engineering Aspects","volume":"725 ","pages":"Article 137584"},"PeriodicalIF":4.9,"publicationDate":"2025-06-24","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144513999","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Transformation of household waste-watermelon rind into high-performance adsorbents: A low-cost and green strategy for dye removal","authors":"Zhichao He ,&nbsp;Guang Nie ,&nbsp;Tao You ,&nbsp;Yanfei Qiao ,&nbsp;Yingchun Li ,&nbsp;Yudong Huang","doi":"10.1016/j.colsurfa.2025.137589","DOIUrl":"10.1016/j.colsurfa.2025.137589","url":null,"abstract":"<div><div>With the escalating severity of water pollution, developing safe and effective pollutant removal strategies has become an urgent priority. Consequently, numerous adsorbents have been synthesized and prepared. However, artificial synthesis inevitably involves the use of toxic components or solvents. In recent years, biomass-based materials have garnered significant attention due to their advantages of being non-toxic, harmless, abundantly available and low-cost. Several biomass-based adsorbents have already been developed and employed for pollutant adsorption. Nevertheless, to endow these biomass materials with high adsorption performance, modification methods such as crosslinking, pore creation, chemical grafting, and carbonization are widely applied. And these processes often involve the introduction of hazardous substances or require high energy consumption. Here, we present a facile and eco-friendly approach to fabricate porous and efficient aerogel adsorbents from biomass waste-watermelon rind, not only avoiding secondary contamination by using entirely green materials, but also circumventing energy-intensive processing procedures. The prepared watermelon rind aerogels demonstrate competitive adsorption performance for dyes and metal ions. Mechanistic analysis reveals that electrostatic interaction, π-π conjugation and hydrogen bonding between polar functional groups on the aerogel surface and target pollutants governs the adsorption process, while its hierarchical porous structure facilitates efficient pollutant transport and immobilization. By transforming household waste into a high-performance adsorbent, this work offers a sustainable and cost-effective solution for water purification, with significant potential for practical environmental applications.</div></div>","PeriodicalId":278,"journal":{"name":"Colloids and Surfaces A: Physicochemical and Engineering Aspects","volume":"725 ","pages":"Article 137589"},"PeriodicalIF":4.9,"publicationDate":"2025-06-24","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144470090","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Molecular-level insights into the secondary per-and poly-fluoroalkyl substance (PFAS) in durable water repellent fabric: Generation, properties, and adsorption mechanism","authors":"Xu Zhao ,&nbsp;Ge Dang ,&nbsp;Sen Zhang ,&nbsp;Kun Ma ,&nbsp;Haodong Bi ,&nbsp;Xiaoyong Huang ,&nbsp;Bo Zhu ,&nbsp;Lihui An ,&nbsp;Hongbo Wang ,&nbsp;Jianli Liu","doi":"10.1016/j.colsurfa.2025.137524","DOIUrl":"10.1016/j.colsurfa.2025.137524","url":null,"abstract":"<div><div>Durable water-repellent (DWR) fabrics release per- and poly-fluoroalkyl substances (PFAS) during use, yet a comprehensive understanding of the molecular characteristics and release mechanisms of PFAS from DWR materials remains lacking. To elucidate the formation and release mechanisms of PFAS in DWR textiles, this study systematically investigates the interfacial behaviors of PFAS in DWR fabrics through experimental and molecular approaches. First, acrylate-based C6 fluorinated side-chain polymer (SFP)-treated polyamide (PA)-DWR and polyester (PET)-DWR fabrics were prepared. These fabrics underwent 100 h of laboratory aging and 5 h of photocatalytic oxidation (precursor treatment), followed by quantitative analysis of native PFAS (primary PFAS adsorbed during fabric preparation) and treatment-induced secondary PFAS. Combining density functional theory (DFT) and molecular dynamics (MD) simulations, we demonstrate that the release potential of primary and secondary PFAS from DWR fabrics—characterized by adsorption energy required for desorption—closely correlates with fluorinated carbon chain length and terminal functional groups. Long-chain PFAS exhibit higher adsorption energies, favoring retention in fabrics, while short-chain PFAS with lower adsorption energies and coordination numbers are more readily released. This study reveals for the first time the molecular mechanisms governing PFAS detachment from DWR fabrics after primary and secondary formation. Additionally, it confirms that secondary adsorption of PFAS onto microplastic fibers during washing processes expands their transmission pathways. In summary, investigating the generation, characteristics, and interfacial adsorption mechanisms of secondary PFAS in DWR fabrics at both experimental and molecular levels is essential. This research provides critical insights for assessing PFAS risks in textile materials and developing mitigation strategies.</div></div>","PeriodicalId":278,"journal":{"name":"Colloids and Surfaces A: Physicochemical and Engineering Aspects","volume":"725 ","pages":"Article 137524"},"PeriodicalIF":4.9,"publicationDate":"2025-06-24","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144491566","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}