Advances in Colloid and Interface Science最新文献

英文中文

From slit pores to 3D frameworks: Advances in molecular modeling of adsorption in nanoporous carbons 从狭缝孔隙到三维框架：纳米多孔碳吸附分子建模的进展

IF 15.9 1区化学 Q1 CHEMISTRY, PHYSICAL

Advances in Colloid and Interface Science

Pub Date : 2025-04-04 DOI: 10.1016/j.cis.2025.103502

Nicholas J. Corrente, Alexander V. Neimark

Recent advances in computational capabilities have revolutionized the modeling of nanoporous carbons, enabling a transition from idealized pore descriptions to versatile three-dimensional molecular models. This review traces the evolution from traditional continuous potential methods and simple pore models to modern simulation techniques that generate realistic carbon structures incorporating surface heterogeneity, pore connectivity, and framework flexibility. We examine various approaches including Hybrid Reverse Monte Carlo, Quench Molecular Dynamics, and Annealed Molecular Dynamics methods, discussing their respective strengths and limitations. Particular attention is given to the choice of interatomic potentials and their impact on structural predictions. The development of million-atom models captures long-range ordering effects previously inaccessible to simulation. Applications of the 3D models demonstrate their ability to quantitatively predict adsorption behavior and provide the improved characterization of practical carbons using novel methods such as 3D-VIS and APDM. Recent hybrid MD/MC approaches, which incorporate the effects of structure flexibility, offer new insights into adsorbate-induced structural changes. This review highlights how advancing computational methods are bridging the gap between molecular-level understanding and practical applications in the carbon materials design and modeling of adsorption processes.

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引用次数: 0

A comprehensive review and trends in lubrication modelling

IF 15.9 1区化学 Q1 CHEMISTRY, PHYSICAL

Advances in Colloid and Interface Science

Pub Date : 2025-04-01 DOI: 10.1016/j.cis.2025.103492

Suhaib Ardah , Francisco J. Profito , Daniele Dini

Lubrication plays a pivotal role in modern society, given its significant economic and environmental implications, particularly in relation to friction, wear and the failure of moving mechanical systems. With recent breakthroughs in computational architectures, the development of advanced simulation frameworks has been greatly accelerated, facilitating the study of surfaces, lubricants and additives at unprecedented scales. However, the inherently multiscale nature of lubricated contacts necessitates a delicate balance between computationally efficient continuum descriptions and detailed atomistic accuracy for addressing the complex physiochemical phenomena spanning vastly different spatiotemporal scales. This review explores the dilemma of modelling inherently multiphysics tribological interactions, which drive the evolution of lubricated interfaces and shape tribosystem performances across the scales as accurately and simultaneously as efficiently as possible. It critically examines state-of-the-art modelling tools, their applications and limitations across spatiotemporal domains. Moreover, the capacity for machine learning to aggregate extensive datasets, address multi-physical complexities ranging from atomic dimensions to macroscopic scales and accelerate simulation workflows is explored, offering transformative perspectives for the future of lubrication modelling.

{"title":"A comprehensive review and trends in lubrication modelling","authors":"Suhaib Ardah , Francisco J. Profito , Daniele Dini","doi":"10.1016/j.cis.2025.103492","DOIUrl":"10.1016/j.cis.2025.103492","url":null,"abstract":"<div><div>Lubrication plays a pivotal role in modern society, given its significant economic and environmental implications, particularly in relation to friction, wear and the failure of moving mechanical systems. With recent breakthroughs in computational architectures, the development of advanced simulation frameworks has been greatly accelerated, facilitating the study of surfaces, lubricants and additives at unprecedented scales. However, the inherently multiscale nature of lubricated contacts necessitates a delicate balance between computationally efficient continuum descriptions and detailed atomistic accuracy for addressing the complex physiochemical phenomena spanning vastly different spatiotemporal scales. This review explores the dilemma of modelling inherently multiphysics tribological interactions, which drive the evolution of lubricated interfaces and shape tribosystem performances across the scales as accurately and simultaneously as efficiently as possible. It critically examines state-of-the-art modelling tools, their applications and limitations across spatiotemporal domains. Moreover, the capacity for machine learning to aggregate extensive datasets, address multi-physical complexities ranging from atomic dimensions to macroscopic scales and accelerate simulation workflows is explored, offering transformative perspectives for the future of lubrication modelling.</div></div>","PeriodicalId":239,"journal":{"name":"Advances in Colloid and Interface Science","volume":"342 ","pages":"Article 103492"},"PeriodicalIF":15.9,"publicationDate":"2025-04-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143815602","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

The stomach, small intestine, and colon-specific gastrointestinal tract delivery systems for bioactive nutrients

IF 15.9 1区化学 Q1 CHEMISTRY, PHYSICAL

Advances in Colloid and Interface Science

Pub Date : 2025-04-01 DOI: 10.1016/j.cis.2025.103503

Shuang Liang , Dongyu Zhao , Xiangyu Liu , Bin Liu , Yuan Li

Oral administration is a convenient way to deliver bioactive nutrients. However, the complex and dynamic environment of the gastrointestinal (GI) tract poses distinct challenges. These include the acidic environment of the stomach, limited transport across the GI mucosa, and the risk of enzymatic degradation, all of which can compromise the nutritional effectiveness of orally delivered nutrients. In response to these challenges, various GI tract delivery systems have been developed to target specific regions, such as the stomach, small intestine, or colon, to precisely control the release of bioactive nutrients and enhance their health-promoting benefits. This review critically examines the principles underlying stomach-, small intestine-, and colon-targeted delivery systems, highlighting the selection of appropriate wall materials and the interactions between delivery systems and the mucosal epithelial barrier. Moreover, we describe relevant biological models and quantitative analyses to measure these interactions. In particular, we emphasize the significant advantages offered by colon-targeted delivery systems in maintaining a healthy colonic microenvironment. This review aims to inspire novel concepts and stimulate further research into GI tract delivery systems, offering promising avenues for maximizing the therapeutic effects of bioactive nutrients in practical applications.

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引用次数: 0

Functionalized MXene composites for protection on metals in electric power

IF 15.9 1区化学 Q1 CHEMISTRY, PHYSICAL

Advances in Colloid and Interface Science

Pub Date : 2025-03-31 DOI: 10.1016/j.cis.2025.103505

Jiale Hou, Shuxian Ji, Xiaoqing Ma, Baolong Gong, Tiange Wang, Qunjie Xu, Huaijie Cao

Metals used in electric power suffer from icing, wear, and corrosion problems, resulting in high energy consumption, economic losses, security risks, and increased CO₂ emission. To address these problems, researchers have turned to two-dimensional (2D) transition metal carbide or nitride (MXene) materials, which possess strong near-infrared adsorption, photothermal conversion, shear ability, low friction coefficient, and impermeability. These properties make MXene a promising candidate for surface protection on metals in electric power, including anti-icing, anti-wear, and anti-corrosion applications. However, the comprehensively protective ability and the promising application of MXene in electric power have not yet been reported. In this review, recent progress in MXene-based composites for anti-icing, anti-wear, and anti-corrosion in electric power is summarized to understand the protective mechanisms and the promising applications. First, the chemical and structure of MXene are briefly introduced, followed by a summary of its intrinsic properties. Next, the latest research on deicing MXene composite coatings, anti-wear MXene-based composites and coatings, and anti-corrosive MXene coatings, along with the corresponding mechanisms, is discussed. Finally, the challenges and opportunities of MXene-based composites in electric power are highlighted. This review provides guidance for understanding the comprehensively protective abilities of MXene and rationally designing MXene-based materials used in electric power.

{"title":"Functionalized MXene composites for protection on metals in electric power","authors":"Jiale Hou, Shuxian Ji, Xiaoqing Ma, Baolong Gong, Tiange Wang, Qunjie Xu, Huaijie Cao","doi":"10.1016/j.cis.2025.103505","DOIUrl":"10.1016/j.cis.2025.103505","url":null,"abstract":"<div><div>Metals used in electric power suffer from icing, wear, and corrosion problems, resulting in high energy consumption, economic losses, security risks, and increased CO<sub>2</sub> emission. To address these problems, researchers have turned to two-dimensional (2D) transition metal carbide or nitride (MXene) materials, which possess strong near-infrared adsorption, photothermal conversion, shear ability, low friction coefficient, and impermeability. These properties make MXene a promising candidate for surface protection on metals in electric power, including anti-icing, anti-wear, and anti-corrosion applications. However, the comprehensively protective ability and the promising application of MXene in electric power have not yet been reported. In this review, recent progress in MXene-based composites for anti-icing, anti-wear, and anti-corrosion in electric power is summarized to understand the protective mechanisms and the promising applications. First, the chemical and structure of MXene are briefly introduced, followed by a summary of its intrinsic properties. Next, the latest research on deicing MXene composite coatings, anti-wear MXene-based composites and coatings, and anti-corrosive MXene coatings, along with the corresponding mechanisms, is discussed. Finally, the challenges and opportunities of MXene-based composites in electric power are highlighted. This review provides guidance for understanding the comprehensively protective abilities of MXene and rationally designing MXene-based materials used in electric power.</div></div>","PeriodicalId":239,"journal":{"name":"Advances in Colloid and Interface Science","volume":"341 ","pages":"Article 103505"},"PeriodicalIF":15.9,"publicationDate":"2025-03-31","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143746892","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Comparing frameworks for analysis of diffusing wave spectroscopy experimental data

IF 15.9 1区化学 Q1 CHEMISTRY, PHYSICAL

Advances in Colloid and Interface Science

Pub Date : 2025-03-28 DOI: 10.1016/j.cis.2025.103491

Robert E. McMillin III, James K. Ferri

Diffusing wave spectroscopy (DWS) is a photon correlation spectroscopy method, which similar to dynamic light scattering (DLS), relates intensity fluctuations of scattered light to optical and dynamic properties of a sample. In this review, we focus on developing a quantitative comparison of the analysis frameworks that have been proposed for diffusing wave spectroscopy data, and the relative strengths and limitations of each approach. The theory behind DWS is presented and the relevant physical quantities that DWS can probe are discussed in more detail. We specifically compare Monte Carlo simulation and direct numerical simulation of the diffusion equation to obtain photon pathlength distributions P(s). We summarize the impact of associated with the selection of which simulation approach and its associated physical assumptions on the determination of the sample characteristics, including the mean squared displacement of the scattering centers dispersed in the sample and the mean free photon transport length.

引用次数: 0

Exploring the impact of particle stability, size, and morphology on nanofluid thermal conductivity: A comprehensive review for energy applications

IF 15.9 1区化学 Q1 CHEMISTRY, PHYSICAL

Advances in Colloid and Interface Science

Pub Date : 2025-03-28 DOI: 10.1016/j.cis.2025.103495

Sajid Farooq , Muhammad Habib , Olavo Cardozo , Kaleem Ullah , A.K. Pandey , Zafar Said

Recent advancements enhance the efficiency of energy conversion processes and leverage nanofluids—novel thermal fluids with nanoparticles (under 100 nm) suspended in conventional fluids. These nanofluids significantly alter thermophysical properties, notably thermal conductivity, which is crucial for evaluating their thermal performance. Despite three decades of intensive research, disagreements persist due to a lack of comprehensive data on how particle size, shape, stability, and others influence thermal conductivity. This review tries to fill this literature gap by critically reviewing how the characteristics that distinguish nanofluids from their micrometer-sized counterparts affect the stability and convective heat transfer. The study compares experimental results in a systemic way that addresses the reported inconsistencies and provides a general summary of the thermal behavior of nanofluids in energy systems. It has also pointed out the lack of reliable hybrid models considering all parameters affecting thermal conductivity. The current study assembles data from different analyses showing that a particle size within the 10-50 nm range may enhance thermal conductivity, depending on the base-fluid used. Likewise, the morphological options available, namely, spherical, ellipsoid, platelet, and blade-like, all have given promise for enhancing thermal conductivity, hence considering morphological issues. Finally, stability, defined by the zeta potential analyses, forms a vital criterion for the long-term sustainability of these enhancements. By consolidating experimental results across different research groups, this review highlights the variability and sometimes contradictory findings in thermal conductivity enhancements, ranging from negligible increases to over 50% improvement in specific nanofluids systems. The absence of reliable hybrid models encapsulating all influencing parameters for predicting thermal conductivity is critically addressed. It is concluded by identifying the main challenges in the field and offering recommendations for standardizing measurement techniques, which include the need for a unified model capable of predicting thermal conductivity enhancements with an accuracy of

\pm

5%.

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引用次数: 0

Breaking the ice: Applications of photothermal superhydrophobic materials for efficient deicing strategies

IF 15.9 1区化学 Q1 CHEMISTRY, PHYSICAL

Advances in Colloid and Interface Science

Pub Date : 2025-03-28 DOI: 10.1016/j.cis.2025.103489

Yiqing Xue , Philip Verdross , Wenyan Liang , Robert T. Woodward , Alexander Bismarck

The accumulation of ice on the surfaces of devices has long been a significant concern for human life and production. The icing of aircraft surfaces can alter the aerodynamic shape of the aircraft, reducing its controllability and decrease the flight range. Ice buildup on wind turbine blades significantly reduces power generation efficiency. Preventing ice accumulation has thus become a focal point of research. Photothermal superhydrophobic materials are characterized by efficient photothermal energy conversion upon irradiation, thus showing promise for applications in the energy-, civil- or aerospace-engineering sectors. Photothermal superhydrophobic materials are promise to be a safe, reliable and cost-effective anti-icing/deicing strategies. In this review, the design concepts, preparation methods, performance characteristics, and application areas of different types of photothermal superhydrophobic materials are discussed. After elucidating anti-icing mechanisms, the superhydrophobic photothermal material state-of-the-art is reviewed. The problems encountered in the practical application of photothermal superhydrophobic materials and challenges to be addressed in the future are also analyzed and discussed.

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引用次数: 0

Chiroptical hybrid nanomaterials based on metal nanoparticles and biomolecules

IF 15.9 1区化学 Q1 CHEMISTRY, PHYSICAL

Advances in Colloid and Interface Science

Pub Date : 2025-03-28 DOI: 10.1016/j.cis.2025.103501

Manuel Núñez-Martínez , Jinyi Dong , Isabel García , Luis M. Liz-Marzán

Chirality at the nanoscale has recently attracted renewed attention from the scientific community. As a result, various strategies have been proposed to develop chiral nanomaterials based on metal nanoparticles and chiral biomolecules such as DNA, amino acids, or proteins. We review herein the past and recent literature related to the functionalization of metal nanoparticles with various chiral biomolecules and their assembly into biomaterials with chiroptical response. We divide the review into two main parts, according to the class of biomolecules. We first discuss mechanisms employed to obtain chiral bioconjugates based on metal nanoparticles and amino acids or their derivatives (peptides and proteins), including mechanisms for chirality transfer from chiral biomolecules to achiral nanoparticles. We also review the use of amino acids/peptides as either chiral inducers for the growth of chiral nanoparticles or templates for the chiral arrangement of achiral nanoparticles. In the second part we present an overview of methods to prepare bioconjugates comprising DNA and metal nanoparticles, as well as selected examples of helical nanoparticle arrangements that employ DNA as a chiral template.

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引用次数: 0

Molecular interactions of surfactants with other chemicals in chemical flooding processes: A comprehensive review on molecular dynamics simulation studies

IF 15.9 1区化学 Q1 CHEMISTRY, PHYSICAL

Advances in Colloid and Interface Science

Pub Date : 2025-03-27 DOI: 10.1016/j.cis.2025.103498

Xuantong Lei , Benjieming Liu , Chaojie Di , Zixiang Wei , Peng Deng , Zhangxin Chen

Due to the growing demand for fossil fuels and the transition of many oil fields into a high water-cut stage, enhanced oil recovery (EOR) techniques have become more prevalent to meet this rising demand. Among these techniques, chemical flooding stands out as an effective method, supported by numerous experimental and simulation studies. However, the complexity of a chemical slug composition under harsh reservoir conditions makes the physicochemical phenomena involved in a chemical flooding process highly intricate. To comprehensively understand the microscopic mechanisms governing the phase behavior of complex fluid systems underground, molecular dynamics (MD) simulations have been increasingly employed in recent years to investigate the molecular interactions between various chemicals involved in chemical flooding processes. In this work, we have comprehensively reviewed the recent MD studies focusing on the molecular interactions between surfactants and other chemicals in the chemical flooding processes. Based on the molecular interactions within different chemicals, various nanoscale mechanisms have been proposed to shed light on the physicochemical flow in porous media. Additionally, the MD techniques used in these studies have been summarized, and challenges in the application of MD simulations in the field of chemical flooding have been identified for improving the quality of future MD studies.

{"title":"Molecular interactions of surfactants with other chemicals in chemical flooding processes: A comprehensive review on molecular dynamics simulation studies","authors":"Xuantong Lei , Benjieming Liu , Chaojie Di , Zixiang Wei , Peng Deng , Zhangxin Chen","doi":"10.1016/j.cis.2025.103498","DOIUrl":"10.1016/j.cis.2025.103498","url":null,"abstract":"<div><div>Due to the growing demand for fossil fuels and the transition of many oil fields into a high water-cut stage, enhanced oil recovery (EOR) techniques have become more prevalent to meet this rising demand. Among these techniques, chemical flooding stands out as an effective method, supported by numerous experimental and simulation studies. However, the complexity of a chemical slug composition under harsh reservoir conditions makes the physicochemical phenomena involved in a chemical flooding process highly intricate. To comprehensively understand the microscopic mechanisms governing the phase behavior of complex fluid systems underground, molecular dynamics (MD) simulations have been increasingly employed in recent years to investigate the molecular interactions between various chemicals involved in chemical flooding processes. In this work, we have comprehensively reviewed the recent MD studies focusing on the molecular interactions between surfactants and other chemicals in the chemical flooding processes. Based on the molecular interactions within different chemicals, various nanoscale mechanisms have been proposed to shed light on the physicochemical flow in porous media. Additionally, the MD techniques used in these studies have been summarized, and challenges in the application of MD simulations in the field of chemical flooding have been identified for improving the quality of future MD studies.</div></div>","PeriodicalId":239,"journal":{"name":"Advances in Colloid and Interface Science","volume":"341 ","pages":"Article 103498"},"PeriodicalIF":15.9,"publicationDate":"2025-03-27","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143740082","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Atomic layer deposition paves the way for next-generation smart and functional textiles

IF 15.9 1区化学 Q1 CHEMISTRY, PHYSICAL

Advances in Colloid and Interface Science

Pub Date : 2025-03-26 DOI: 10.1016/j.cis.2025.103500

Sijie Qiao , Zhicheng Shi , Aixin Tong, Yuxin Luo, Yu Zhang, Mengqi Wang, Zhiyu Huang, Weilin Xu, Fengxiang Chen

As technology evolves and consumer needs diversify, textiles have become crucial to determining the future of fashion, sustainability, and functionality. Functional textiles, which not only provide comfort and aesthetics as traditional textiles but also endow textiles with special functions such as antibacterial, anti-odor, moisture absorption and perspiration, anti-ultraviolet (UV), flame-retardant, self-cleaning, and anti-static properties through technological innovation and upgrading, have attracted increasing attention because they satisfy the specific needs of people in different environments and occasions. However, functionality often occurs at the expense of comfort in existing functional products. Endowing textiles with excellent multi-functionality with marginal effects on comfort and wearability properties continues to be a challenge. Atomic layer deposition (ALD) paves the way for creating functional fabrics by enabling the formation of highly conforming inorganic/organic coatings over a large area with precise atomic-level film thickness control from a self-limiting reaction mechanism. Therefore, this paper introduces the reaction mechanism of ALD and the unique advantages of depositing inorganic nanofilms on fiber and textile surfaces. The factors influencing ALD and the commonly used ALD-derived technologies are then discussed. Subsequently, the research progress and breakthroughs in inorganic nanofilms prepared by ALD in conferring multifunctional properties on textile surfaces, such as antimicrobial, UV-resistant, heat-insulating, multifunctional wetting, structural coloring, thermoelectric elements, and flexible sensing, are reviewed. Finally, future developments and possible challenges of ALD for the large-scale production of multifunctional fabrics are proposed, which are expected to promote the development of next-generation advanced functional textiles.

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