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

{"title":"Adsorption of NO2, NO and CO on TM-loaded GaSe monolayers: A first-principles study","authors":"Zhilei Xu ,&nbsp;Hao Li ,&nbsp;Chinweuba Michael Tochi ,&nbsp;Zhongzhou Dong ,&nbsp;Long Lin","doi":"10.1016/j.colsurfa.2025.138547","DOIUrl":"10.1016/j.colsurfa.2025.138547","url":null,"abstract":"<div><div>Dynamic reconstruction of the coordination environments of different metal adsorption centers on material surfaces is particularly important for adsorption performance and response sensitivity. However, changes in the coordination environment help gas molecules to stabilize the adsorption process and remain unclear. Here, we use 3d (Sc, V, Mn, Co, Ni) transition metal doped GaSe monolayers for adsorption of CO, NO, and NO₂ to unveil the changes in adsorption capacity induced by the alteration of coordination environments by different transition metals. Through theoretical calculations, it was revealed that introducing transition metal (TM) elements into the adsorption processes of CO, NO, and NO₂ gas molecules enhances the electron transfer capability between the substrate material and gas molecules. This effect occurs because additional electrons can occupy the unfilled 3d orbitals of TM atoms, strengthening orbital coupling at the gas-substrate interface and thereby enhancing the adsorption capacity of the gas molecules.</div></div>","PeriodicalId":278,"journal":{"name":"Colloids and Surfaces A: Physicochemical and Engineering Aspects","volume":"728 ","pages":"Article 138547"},"PeriodicalIF":5.4,"publicationDate":"2025-10-04","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145264173","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":"Quantitative analysis of CO2 adsorption on kaolinite under different environmental factors based on high-pressure and supercritical tests","authors":"Xianfeng Ma ,&nbsp;Guohang Tang ,&nbsp;Jianglin Cao ,&nbsp;Haihua Zhang ,&nbsp;Mingyang Cao","doi":"10.1016/j.colsurfa.2025.138555","DOIUrl":"10.1016/j.colsurfa.2025.138555","url":null,"abstract":"<div><div>Kaolinite, a prevalent clay mineral, demonstrates potential for CO₂ capture and geological sequestration. This research analyzed how moisture levels and temperature influence CO₂ adsorption in kaolinite using high-pressure and supercritical adsorption experiments. Nitrogen adsorption tests examined pore structure variations in kaolinite before and after CO₂ adsorption across different environmental conditions. X-ray Diffraction, Scanning Electron Microscopy, and Energy Dispersive X-ray Spectroscopy characterized mineral composition and elemental distribution changes in raw kaolinite and CO₂-exposed samples under both dry and wet conditions. Findings indicate that higher moisture content reduces CO₂ adsorption capacity and modifies isosteric heat of adsorption in kaolinite. Elevated temperature and humidity also altered specific surface area, pore volume, and average pore size post-adsorption. Most significantly, this study identifies a critical moisture threshold (∼15 %) for pore stability and reveals the dual role of mineralogical changes in governing both structural integrity and long-term chemical trapping. These findings provide transformative insights for predicting and optimizing the security of geological CO₂ sequestration.</div></div>","PeriodicalId":278,"journal":{"name":"Colloids and Surfaces A: Physicochemical and Engineering Aspects","volume":"728 ","pages":"Article 138555"},"PeriodicalIF":5.4,"publicationDate":"2025-10-04","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145264078","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":"Data-driven design of doped SnS2 for thermal runaway gas detection","authors":"Pengtao Wang,&nbsp;Kun Xie,&nbsp;Chao Zhang,&nbsp;Long Lin","doi":"10.1016/j.colsurfa.2025.138546","DOIUrl":"10.1016/j.colsurfa.2025.138546","url":null,"abstract":"<div><div>Lithium-ion batteries release harmful gases during thermal runaway, making high-performance gas-sensitive materials for early warning systems crucial. This study constructed a dataset of adsorption energies for 28 noble metal-doped SnS₂ systems with 6 gases (C₂H₄, C₃H₆, CH₄, CO, CO₂, H₂). We developed machine learning models to predict adsorption energies, incorporating both doping atoms and the system's electronic structure (Feature set II), which improved model generalization compared to traditional methods relying only on doping atoms or gas properties (Feature set I). The Gaussian Process Regression model achieved the best performance under Feature set II (R² = 0.82). The Au-doped SnS₂ system was further analyzed using density of states (DOS), electron localization function (ELF), charge density difference (CDD), and I–V characteristics. Results indicate that gas adsorption significantly alters the material's electronic and transport properties, especially for gases like CO andC₃H₆, demonstrating selective sensing and conductivity modulation. This study proposes a multi-scale design strategy combining first-principles calculations and machine learning, providing insights for developing gas sensors and thermal runaway warning systems in batteries.</div></div>","PeriodicalId":278,"journal":{"name":"Colloids and Surfaces A: Physicochemical and Engineering Aspects","volume":"728 ","pages":"Article 138546"},"PeriodicalIF":5.4,"publicationDate":"2025-10-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145263818","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":"Dispersion or inhibition? A new insight into the mechanism of sodium hexametaphosphate on the improvement of flotation of clay-containing fine coal slime","authors":"Li Jihui ,&nbsp;Chen Yaoyao ,&nbsp;Wang Xiaohu ,&nbsp;Wang Chengyong ,&nbsp;Huang Gen ,&nbsp;Ma Liqiang ,&nbsp;Deng Jiushuai ,&nbsp;Hou Shiyu","doi":"10.1016/j.colsurfa.2025.138535","DOIUrl":"10.1016/j.colsurfa.2025.138535","url":null,"abstract":"<div><div>Sodium hexametaphosphate (SHMP) is a commonly used reagent to alleviate unwanted effect of gangue slime recovery (clay and other fine-grained minerals) during froth flotation. However, there is still controversy over whether its mechanism is inhibitory effect (depression) or dispersion effect. In this study, the effects and underlying mechanisms of SHMP-enhanced flotation separation of fine coal from kaolin were systematically examined using Zeta potential, X-ray photoelectron spectroscopy, atomic force microscope, scanning electron microscopy, coverage angle, induction time, as well as sedimentation and flotation experiments. SHMP molecules were adsorbed through chemical bonds formed between HPO₄^2-/H₂PO₄^- groups and the kaolin surface. This adsorption increased the surface charge of kaolin, promoting a shift in the interaction between kaolin and coal particles from weak attraction to strong repulsion, thereby preventing the coating of kaolin particles on the coal surface. Consequently, more hydrophobic regions were exposed on coal particles. The increased hydrophobicity of coal particles enhanced the adhesion force between coal particles and bubbles, shortened the induction time, and increased the coverage angle. These changes demonstrated that SHMP improved the adhesion speed, strength, and probability between coal particles and bubbles, thereby enhancing the flotation separation efficiency between coal particles and kaolin. This work demonstrated that the promoting mechanism of SHMP on clay-containing fine coal flotation should be its dispersion effect rather than inhibition effect.</div></div>","PeriodicalId":278,"journal":{"name":"Colloids and Surfaces A: Physicochemical and Engineering Aspects","volume":"728 ","pages":"Article 138535"},"PeriodicalIF":5.4,"publicationDate":"2025-10-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145264057","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":"Synthesis and properties of imidazolium-based zwitterionic oligomeric silsesquioxane giant surfactants","authors":"Wenhui Zhao ,&nbsp;Yuqiao Cheng ,&nbsp;Wenxiang Zhu ,&nbsp;Zeyang Shan ,&nbsp;Cheng Liang ,&nbsp;Xinming Han ,&nbsp;Huiwen Yan ,&nbsp;Shihan Di","doi":"10.1016/j.colsurfa.2025.138531","DOIUrl":"10.1016/j.colsurfa.2025.138531","url":null,"abstract":"<div><div>A series of zwitterionic oligomeric silsesquioxane giant surfactants (POSS-IMI-Cn, n = 6, 8, 10), featuring imidazolium and carboxylate groups, was synthesized. Their surface activity and aggregation behavior were investigated using surface tension, interfacial tension, electrical conductivity, dynamic light scattering, and transmission electron microscopy. The results showed that these giant surfactants exhibited lower critical aggregation concentrations compared to conventional zwitterionic surfactants. The incorporation of the rigid oligomeric silsesquioxane core into the surfactants resulted in a micellization process that was both spontaneous and enthalpy-driven, as confirmed by thermodynamic parameters, with vesicular aggregates observed via transmission electron microscopy. Additionally, the surface activity of POSS-IMI-Cn at the air-liquid interface varied with temperature and ionic strength, with the extent of these variations depending on the alkyl chain length. Finally, cytotoxicity evaluations revealed low toxicity for POSS-IMI-Cn, indicating their potential utility in colloidal and interfacial applications.</div></div>","PeriodicalId":278,"journal":{"name":"Colloids and Surfaces A: Physicochemical and Engineering Aspects","volume":"728 ","pages":"Article 138531"},"PeriodicalIF":5.4,"publicationDate":"2025-10-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145218528","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":"Polydopamine-mediated anchoring of Pd on magnetic Ni@CNTs: A robust core-shell nanocatalyst for recyclable heck cross-coupling","authors":"Rui Yu ,&nbsp;Yuli Lan ,&nbsp;Guoliang Huang ,&nbsp;Congmei Chen ,&nbsp;Maofei Ran ,&nbsp;Wenjing Sun","doi":"10.1016/j.colsurfa.2025.138554","DOIUrl":"10.1016/j.colsurfa.2025.138554","url":null,"abstract":"<div><div>The development of high-performance, magnetically recyclable nanocatalysts remains challenging, primarily due to the poor stability and inadequate control over active metal dispersion in conventional magnetic supports. To address these limitations, we designed a Ni@CNTs@PDA–Pd catalyst through innovative interfacial engineering. Carbon nanotube channels effectively encapsulate and protect magnetic nickel nanoparticles, while a polydopamine (PDA) coating enables uniform dispersion of palladium nanoparticles (2.0 ± 0.7 nm). The catalyst exhibits strong superparamagnetism (6.64 emu·g⁻¹), allowing efficient magnetic separation. In Heck reactions, it achieves a turnover frequency (TOF) of 958 h⁻¹ and retains 89.5 % conversion after ten cycles, outperforming most reported Pd/CNT and magnetic catalysts. Density functional theory (DFT) calculations reveal that although Ni encapsulation increases the electron density of the CNT surface—which may hinder Pd deposition—the PDA interlayer counteracts this effect via strong coordination bonds, ensuring excellent Pd stabilization. This study provides key insights into electronic metal–support interactions and offers a scalable strategy for designing high-performance magnetically recyclable catalysts. It highlights the active role of the magnetic core in modulating the electronic environment of catalytic sites and underscores the critical synergy between the core, shell, and active metal in rational catalyst design.</div></div>","PeriodicalId":278,"journal":{"name":"Colloids and Surfaces A: Physicochemical and Engineering Aspects","volume":"728 ","pages":"Article 138554"},"PeriodicalIF":5.4,"publicationDate":"2025-10-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145264079","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":"A prediction model of the stability reduction performance of aqueous film forming foam based on high-low temperature alternating aging test","authors":"Biao Zhou ,&nbsp;Junyi Zhang ,&nbsp;Qihang Yue ,&nbsp;Kai Wang ,&nbsp;Hideki Yoshioka ,&nbsp;Peiyao Chen ,&nbsp;Zhengyang Wang ,&nbsp;Wei Wang ,&nbsp;Yafei Zhou ,&nbsp;Shanlong Wang","doi":"10.1016/j.colsurfa.2025.138537","DOIUrl":"10.1016/j.colsurfa.2025.138537","url":null,"abstract":"<div><div>In this paper, high and low temperature alternating accelerated aging tests were carried out on the aqueous film-forming foam fire extinguishing agent (AFFF) at a low temperature of −40 ℃ and a high temperature of 55 ℃. A ring tensiometer and a viscometer were used to measure the surface tension and viscosity of the foam. The Dynamic Foam Analyzer (DFA100) monitored foam evolution in real time using a high-speed camera to investigate the performance changes of AFFF after aging. The results show that under the alternating aging at low temperature −40 ℃ and high temperature 55 ℃. The drainage performance, foaming capacity, and microstructural stability of various foam types were all negatively affected. In particular, the standardized foam drainage rate increased by 0.22–1.73 times, the expansion ratio decreased by 4–14 %, and the foam stability time declined by 0.79–2.8 %. A dimensionless prediction model for the stability time of AFFF after aging was established based on the key performance parameters of foam.</div></div>","PeriodicalId":278,"journal":{"name":"Colloids and Surfaces A: Physicochemical and Engineering Aspects","volume":"728 ","pages":"Article 138537"},"PeriodicalIF":5.4,"publicationDate":"2025-10-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145264089","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":"Capillary electrophoresis study on the evolution of phase of AOT/TX-100 mixed micelles","authors":"Sławomir Oszwałdowski","doi":"10.1016/j.colsurfa.2025.138541","DOIUrl":"10.1016/j.colsurfa.2025.138541","url":null,"abstract":"<div><div>Capillary electrophoresis (CE) coupled with the contactless conductivity detector (CD) was applied to characterize the evolution of the phase of mixed micelles AOT and TX-100 (AOT/TX-100) based on 0.026 M AOT. Three states of AOT/TX-100 mixed micelles were established due to the evolution of the micellar phase of 0.026 M AOT/(0 – 0.11 M) TX-100 with increasing TX-100 concentration, i.e., a metastable → <strong>cluster</strong> → TX-100-rich. The <strong>cluster</strong> was found to be an intermediate state between AOT-rich and TX-100-rich AOT/TX-100 micelles. Add-in phenomena were visualized; the co-existence of two micelles, and related to this, the presence of two peaks of Na⁺ counterions on an electropherogram. In the second part of the work, the microreactor system was introduced to control the evolution of the AOT/TX-100 phase. Two options were examined, which rely on the difference in migration of two micelles, leading to micelles overlapping and merging during a run, with the consequence of the generation of a new micelle. The system was tested on an intermediate state, i.e., <strong>cluster</strong>, and independently, two states of AOT/TX-100 micelles; AOT-rich and TX-100-rich, respectively, were generated in a controllable manner. A comparison of electrophoretic data for micelles, in terms of mobility, shows a drastic decrease in AOT/TX-100 polydispersity for micelles generated in the microreactor system. At the end of the report, we briefly compared the AOT/TX-100 and SDS/TX-100 phase, reported recently, from the perspective of CE/C⁴D.</div></div>","PeriodicalId":278,"journal":{"name":"Colloids and Surfaces A: Physicochemical and Engineering Aspects","volume":"728 ","pages":"Article 138541"},"PeriodicalIF":5.4,"publicationDate":"2025-10-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145263813","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":"Sensitive Hg(II) detection via a glassy carbon electrode modified with Pr-doped high-entropy fluorite oxide nanoparticles","authors":"Mariappan Anandkumar ,&nbsp;Roman Sergeevich Morozov ,&nbsp;Gleb Vladimirovich Lychkin ,&nbsp;Venkata Ramesh Naganaboina ,&nbsp;Olga Vladimirovna Zaitseva ,&nbsp;Daria Valerevna Iarushina ,&nbsp;Evgeny Alekseevich Trofimov","doi":"10.1016/j.colsurfa.2025.138534","DOIUrl":"10.1016/j.colsurfa.2025.138534","url":null,"abstract":"<div><div>Heavy metal poisoning, particularly Hg(II), poses severe threats to humans and disrupts ecological balance. Heavy metal detection employing electrochemical methods offers several advantages; however, due to the weak electrochemical activity of the glassy carbon electrode (GCE), modification is indispensable. In the present investigation, the GCE was modified with Pr-doped Ce_0.2Gd_0.2Sm_0.2Y_0.2Zr_0.2O_2-δ (HEO) nanoparticles for the electrochemical detection of Hg(II). Samples with varying dopant concentrations were prepared by solution combustion synthesis utilizing glycine as the fuel. The prepared nanoparticles were used to modify the glassy carbon electrode (GCE), and their electrochemical properties were explored towards Hg(II) sensing. The results indicate that modifying the GCE with Pr-doped HEO nanoparticles improved the electrochemical properties. Additionally, the use of such modified electrode material to detect trace amounts of Hg(II) showed a good linear range between concentrations of 1–5 nM with an limit of detection (LOD) of 0.15 nM. Moreover, the modified electrode material exhibited good reproducibility, stability, and anti-interfering properties. Finally, the use of modified sensors for real-time practical applications such as tap water, soil, coffee, and tea extracts showed consistent results, making them a suitable electrode material.</div></div>","PeriodicalId":278,"journal":{"name":"Colloids and Surfaces A: Physicochemical and Engineering Aspects","volume":"728 ","pages":"Article 138534"},"PeriodicalIF":5.4,"publicationDate":"2025-10-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145263870","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":"Selective depression mechanism of konjac glucomannan on sphalerite: Interfacial insights from hydrophilicity and hard-soft acid-base theory","authors":"Lingyun Bao ,&nbsp;Wengang Liu ,&nbsp;Wenbao Liu ,&nbsp;Panxing Zhao ,&nbsp;Yanbai Shen","doi":"10.1016/j.colsurfa.2025.138553","DOIUrl":"10.1016/j.colsurfa.2025.138553","url":null,"abstract":"<div><div>This study pioneers the development of bio-based polysaccharide konjac glucomannan (KG), as an environmentally friendly depressant to replace conventional reagents in chalcopyrite and sphalerite flotation separation, addressing critical environmental challenges in sulfide mineral processing. An integrated approach combining micro-flotation tests, interfacial characterization (contact angle and AFM tests) and multi-scale spectroscopic measurements (FT-IR、XPS analysis and DFT calculations) was used to reveal the selective depression mechanism of KG. Micro-flotation performance metrics demonstrated that 10 mg/L KG dosage induced a remarkable floatability divergence, sustaining 89.7 % chalcopyrite recovery while depressing sphalerite to 22.5 %. Rheological tests reveal that the viscosity of sphalerite pulp decreased with increasing shear rate, and the shear force exhibited a nonlinear relationship with shear rate in the presence of KG. Conversely, chalcopyrite pulp maintains near constant viscosity and shear force across varying shear rate. Contact angle tests and AFM analyses revealed that KG addition increased the surface roughness of sphalerite, notably reduced the contact angle, and hindered the subsequent adsorption of Sodium butyl xanthate (NaBX). FT-IR and XPS analyses showed that KG exhibited stronger adsorption on sphalerite than on chalcopyrite, achieving selective depression through the synergistic effect of surface coordination bonds and hydrogen bonds, thereby enabling effective separation of chalcopyrite and sphalerite. Additionally, DFT calculations quantified the difference in adsorption energies of KG on chalcopyrite and sphalerite surfaces. In conclusion, this study confirms that KG is a highly selective green depressant. More importantly, it reveals a novel pathway by KG molecules synergistically modulate the mineral interfaces through hydrophilicity and HSAB theory, thus elucidating the critical role of rheological behavior in the depression process. This work provides a theoretical foundation for developing polysaccharide based flotation reagents and promotes the environmentally friendly upgrading of high efficiency separation technology for copper and zinc resources.</div></div>","PeriodicalId":278,"journal":{"name":"Colloids and Surfaces A: Physicochemical and Engineering Aspects","volume":"728 ","pages":"Article 138553"},"PeriodicalIF":5.4,"publicationDate":"2025-10-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145218491","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}