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Electrochemical and gravimetric evaluation of a Zn/water hyacinth leaf extract hybrid composite as a green inhibitor for high-strength steel in acidic environment 锌/水葫芦叶提取物复合材料作为酸性环境中高强度钢绿色缓蚀剂的电化学和重量评价
IF 2.4 4区 化学 Q4 ELECTROCHEMISTRY Pub Date : 2026-01-13 DOI: 10.1016/j.ijoes.2026.101296
Joseph Fugo, Nyemaga Masanje Malima, Eric Mutegoa, Mastan Rao Kotupalli
Exposure of metals to acidic environments has been a major source of corrosion, requiring immediate intervention. Consequently, there has been a huge interest in the use of hybrid composites as green corrosion inhibitors for high-strength steel. Herein, a hybrid composite inhibitor based on zinc and water hyacinth leaf extract (Zn/WHLE) was prepared and investigated for corrosion mitigation of high-strength steel pipeline in acidic media. The findings acquired from FTIR, SEM and EDX analyses confirmed the successful formation of the Zn/WHLE composite. Phytochemical screening of water hyacinth leaf extract revealed numerous inhibitive phytochemicals of phenolics, flavonoids, tannins and alkaloids. Corrosion inhibition experiments revealed an increase in the inhibition efficiency with the increasing amount of Zn/WHLE composite. Gravimetric measurements in 0.5 M HCl solution, yielded high inhibition efficiency of 90.29 % using 400 ppm of Zn/WHLE after 24 h of immersion. With the same inhibitor concentration, electrochemical studies offered maximum inhibition efficiency of 86.44 % and 82.91 % from potentiodynamic polarization and electrochemical impedance measurements respectively. The Tafel polarization studies demonstrated that the Zn/WHLE hybrid composite acted as a mixed-type of inhibitor by affecting both cathodic and anodic sites. The Gibbs free energy of adsorption (ΔGads) obtained was −18.58 kJ/mol, indicating spontaneous and physical adsorption of the Zn/WHLE inhibitor on the steel surface. The adsorption of the Zn/WHLE inhibitor on the steel interface was found to obey the Langmuir isotherm model. Consequently, the findings of this work offers a promising environmental friendly solution to mitigate corrosion of high-strength steels during acid pickling.
金属暴露在酸性环境中是腐蚀的主要原因,需要立即干预。因此,人们对使用混杂复合材料作为高强度钢的绿色缓蚀剂产生了巨大的兴趣。本文制备了一种基于锌和水葫芦叶提取物的杂化复合缓蚀剂(Zn/WHLE),并对其在酸性介质中对高强钢管道的缓蚀作用进行了研究。FTIR、SEM和EDX分析结果证实了Zn/WHLE复合材料的成功形成。水葫芦叶提取物的植物化学筛选结果显示,水葫芦叶提取物含有大量的酚类、类黄酮、单宁和生物碱等具有抑制作用的植物化学物质。缓蚀实验表明,随着Zn/WHLE复合材料用量的增加,缓蚀效率提高。在0.5 M HCl溶液中,用400 ppm的Zn/WHLE溶液浸泡24 h后,抑制率达到90.29 %。在相同的阻垢剂浓度下,电化学研究结果表明,动电位极化和电化学阻抗测量的阻垢效率分别为86.44 %和82.91 %。Tafel极化研究表明,Zn/WHLE杂化复合材料同时影响阴极和阳极,是一种混合型抑制剂。得到的吉布斯吸附自由能(ΔGads)为−18.58 kJ/mol,表明Zn/WHLE抑制剂在钢表面进行了自发吸附和物理吸附。Zn/WHLE缓蚀剂在钢界面上的吸附符合Langmuir等温线模型。因此,这项工作的发现提供了一个有前途的环保解决方案,以减轻酸洗过程中高强度钢的腐蚀。
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引用次数: 0
Investigation of the corrosion stability of TiCN and diamond-like carbon(DLC) coatings on 304 stainless steel in simulated seawater: Electrochemical and numerical studies 304不锈钢在模拟海水中TiCN和类金刚石(DLC)涂层腐蚀稳定性的电化学和数值研究
IF 2.4 4区 化学 Q4 ELECTROCHEMISTRY Pub Date : 2026-01-13 DOI: 10.1016/j.ijoes.2026.101295
Yihong Zhao, Zhou Jiang, Rongfa Chen, Zhiqiang Tang, Xinhao Sun, Zesen Zhao
High-velocity multiphase flow containing dissolved oxygen and chloride ions leads to severe frictional loss and corrosion degradation in hollow fountain nozzles. To enhance flow-channel performance, titanium carbonitride (TiCN, T1) and diamond-like carbon (DLC, T2) coatings were deposited on 304 stainless steel using multi-arc ion plating with a graded Ti/TiN/TiCN transition layer. Structural, surface, and interface properties were characterized by Raman spectroscopy, X-ray photoelectron spectroscopy, FE-SEM, and 3D profilometry, while corrosion resistance in ASTM D1141 simulated seawater was evaluated via potentiodynamic polarization and electrochemical impedance spectroscopy. ANSYS Fluent simulations were further employed to assess coating-induced flow improvements. The DLC coating demonstrated a higher sp³ fraction (ID/IG =0.5), significantly smoother morphology (Ra≈42.5 nm), and the best corrosion resistance, with a corrosion current density of 0.12 μA/cm² and a charge-transfer resistance of 13230 Ω·cm². Numerical analysis confirmed that the DLC-coated surface effectively suppressed near-wall turbulence, stabilized the high-velocity jet core, and reduced gas–liquid mixing.Overall, DLC achieved a synergistic combination of “ultra-low friction” and “high corrosion resistance,” providing a promising and durable surface-engineering solution for improving jet stability and prolonging the service life of fountain nozzles and related hydraulic components.
含溶解氧和氯离子的高速多相流导致空心喷管严重的摩擦损失和腐蚀退化。为了提高流道性能,采用多弧离子镀技术在304不锈钢表面沉积了碳氮化钛(TiCN, T1)和类金刚石(DLC, T2)涂层,并在表面镀上Ti/TiN/TiCN渐变过渡层。通过拉曼光谱、x射线光电子能谱、FE-SEM和3D轮廓术表征了结构、表面和界面性能,通过动电位极化和电化学阻抗谱评估了ASTM D1141模拟海水的耐腐蚀性。进一步利用ANSYS Fluent仿真来评估涂层诱导的流动改善。DLC涂层具有较高的sp³ 分数(ID/IG =0.5),明显光滑的形貌(Ra≈42.5 nm),耐腐蚀性能最佳,腐蚀电流密度为0.12 μA/cm²,电荷转移电阻为13230 Ω·cm²。数值分析证实,dlc涂层表面有效抑制了近壁湍流,稳定了高速射流核心,减少了气液混合。总体而言,DLC实现了“超低摩擦”和“高耐腐蚀性”的协同结合,为提高射流稳定性和延长喷泉喷嘴及相关液压元件的使用寿命提供了一种有前途且持久的表面工程解决方案。
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引用次数: 0
Polydopamine/Copper nanostars-modified carbon ceramic electrode for enhanced electrocatalytic oxidation and sensitive detection of ethanol 聚多巴胺/铜纳米星修饰碳陶瓷电极用于增强电催化氧化和乙醇敏感检测
IF 2.4 4区 化学 Q4 ELECTROCHEMISTRY Pub Date : 2026-01-06 DOI: 10.1016/j.ijoes.2026.101284
Tahereh Rohani, Amirkhosro Beheshti-Marnani, Reza Dehghanian
This study details the fabrication of a carbon ceramic electrode (CCE) modified with a polydopamine thin film decorated by copper star-shaped nanoparticles (StCu@PDA-CCE) and its application for ethanol fuel cell and sensing. The polydopamine layer electrodeposited by copper nanostars formed on the surface of the CCE and characterized using X-ray diffraction (XRD), energy-dispersive X-ray spectroscopy (EDS), and scanning electron microscopy (SEM). The electrocatalytic performance of the modified electrode toward ethanol oxidation was investigated in an acidic medium via cyclic voltammetry. The modified CCE demonstrated a low ethanol oxidation potential of approximately 0.25 V (vs. Ag/AgCl) for use as the anode in direct ethanol fuel cells (DEFCs), evidenced by a significantly reduced overpotential. Additionally, a linear calibration curve was obtained for ethanol in the concentration range of 0.02–0.30 mM using square wave voltammetry, with a detection limit of 5.9 µM.
本研究详细介绍了一种以铜星形纳米粒子修饰的聚多巴胺薄膜修饰的碳陶瓷电极(CCE)的制备(StCu@PDA-CCE)及其在乙醇燃料电池和传感领域的应用。在CCE表面形成由铜纳米星电沉积的聚多巴胺层,并利用x射线衍射(XRD)、能谱分析(EDS)和扫描电镜(SEM)对其进行了表征。通过循环伏安法研究了改性电极在酸性介质中对乙醇氧化的电催化性能。改性后的CCE具有较低的乙醇氧化电位,约为0.25 V(相对于Ag/AgCl),可作为直接乙醇燃料电池(defc)的阳极,其过电位显著降低。在0.02 ~ 0.30 mM的浓度范围内,采用方波伏安法建立了乙醇的线性校准曲线,检测限为5.9 µM。
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引用次数: 0
Design of a visual detection algorithm for condensation inside energy-storage lithium-ion battery packs 储能锂离子电池组冷凝水视觉检测算法设计
IF 2.4 4区 化学 Q4 ELECTROCHEMISTRY Pub Date : 2026-01-04 DOI: 10.1016/j.ijoes.2026.101283
Li Jin , Ertao Lei , Junkun Zhang , Kai Ma , Quanhui Li , Xiaoxue Yan , Feng Li
In recent years, with the rapid development of the new energy industry, the scale of new energy storage facilities centered around lithium-ion batteries has continued to climb. Additionally, there have been several significant safety incidents in energy storage power plants across the globe in recent years, raising concerns for the industry. It is worth noting that the widely used traditional Battery Management Systems (BMS) can only detect the structural integrity and physical parameter abnormalities of the battery, which has obvious monitoring limitations and cannot detect condensation inside of the battery pack. In this paper, we propose an Edge Aware Instance Segmentation Network (EAIS-Net) based on the visual features of condensation inside of battery packs. Specifically, the proposed EAIS-Net is used to enhance the perception ability of condensation phenomenon in battery images, and its core components is the Edge Perception Module (EPM). EPM is committed to enhancing the blurred edge structure of condensation on the surface of battery cell caused by factors such as light exposure and scattering, highlighting the edge characteristics of condensation. The proposed algorithm can provide early warning for energy storage power plants, and experimental results show that the proposed network is superior to other advanced algorithms.
近年来,随着新能源产业的快速发展,以锂离子电池为核心的新型储能设施规模不断攀升。此外,近年来全球储能发电厂发生了几起重大安全事故,引起了业界的关注。值得注意的是,目前广泛使用的传统电池管理系统(Battery Management Systems, BMS)只能检测电池的结构完整性和物理参数异常,具有明显的监测局限性,无法检测电池组内部的冷凝现象。本文提出了一种基于电池包内部凝结的视觉特征的边缘感知实例分割网络(EAIS-Net)。具体而言,提出的EAIS-Net用于增强电池图像中凝结现象的感知能力,其核心组件是边缘感知模块(EPM)。EPM致力于增强因光照、散射等因素导致的电池单体表面凝结的模糊边缘结构,突出凝结的边缘特征。该算法可以为储能电站提供预警,实验结果表明,该网络优于其他先进算法。
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引用次数: 0
Corrosion resistance of molybdenum-modified Ni-50 laser-clad coatings on 45# steel in concentrated brine 45#钢表面钼改性Ni-50激光熔覆层在浓盐水中的耐蚀性
IF 2.4 4区 化学 Q4 ELECTROCHEMISTRY Pub Date : 2026-01-02 DOI: 10.1016/j.ijoes.2026.101280
Lunxiang Li , Xiaojun Xue , Haitao Qu , Feng Liu , Liqian Liu , Xiaoyong Chen , Ruize Xu
This study aims to enhance the corrosion resistance of Ni50 laser-clad coatings in high-concentration brine. The effects of molybdenum (Mo) addition at varying concentrations (2 wt%, 4 wt%, 6 wt%) on the microstructure, phase composition, and electrochemical corrosion behavior were systematically investigated. Results indicate that the phase composition primarily consists of γ-Ni solid solution with dispersed carbides and borides. Increasing Mo content enhances solid solution strengthening and friction coefficient. At 4 wt% Mo, the coating achieves peak hardness and optimal wear resistance. Crucially, elevated Mo content significantly improves corrosion resistance, with 6 wt% Mo exhibiting the optimal performance. XPS analysis confirms that Mo incorporation facilitates the formation of multivalent molybdenum oxides (MoO₂/MoO₃), reduces passive film defect density, and enhances its physical barrier properties and stability. This mechanism substantially improves the corrosion resistance of the coating in high-concentration brine.
本研究旨在提高Ni50激光熔覆涂层在高浓度盐水中的耐腐蚀性。系统研究了不同浓度钼(2 wt%、4 wt%、6 wt%)对合金显微组织、相组成和电化学腐蚀行为的影响。结果表明:相组成以γ-Ni固溶体为主,并有分散的碳化物和硼化物;增加Mo含量可提高固溶体强化和摩擦系数。在4 wt% Mo时,涂层达到峰值硬度和最佳耐磨性。重要的是,Mo含量的增加显著提高了耐腐蚀性,6 wt% Mo表现出最佳性能。XPS分析证实,Mo的掺入促进了多价钼氧化物(MoO₂/MoO₃)的形成,降低了被动膜缺陷密度,增强了其物理阻隔性能和稳定性。这一机理大大提高了涂层在高浓度盐水中的耐蚀性。
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引用次数: 0
3-Hydroxy-2-naphthoylamide as corrosion inhibitor for carbon steel in 1 M HCl 3-羟基-2-萘酰胺作为碳钢在1 M HCl中的缓蚀剂
IF 2.4 4区 化学 Q4 ELECTROCHEMISTRY Pub Date : 2026-01-02 DOI: 10.1016/j.ijoes.2025.101279
Jie Pan , Xi Huang , Haojun Jiang , Kun Cao
3-Hydroxy-2-naphthoylamide (HNA) was investigated in a 1 mol·L−1 hydrochloric acid solution using various techniques, including weight loss test, polarization curve analysis, electrochemical impedance spectroscopy, scanning electron microscopy (SEM), atomic force microscopy (AFM), and X-ray photoelectron spectroscopy (XPS). The electrochemical test revealed that the corrosion inhibition efficiency showed a gradual increase with increasing concentration, and achieved maximum inhibitory efficiencies of 94 % at a concentration of 10 mmol·L−1. HNA acted as a mixed-type corrosion inhibitors, primarily inhibiting anodic metal dissolution. The surface analysis of carbon steel using SEM, AFM, and XPS confirmed that the corrosion inhibitors adsorbed onto the metal surface, effectively separating the corrosion medium. The adsorption of the inhibitor followed the Langmuir isothermal adsorption model, further supporting their adsorption behavior on the metal surface.
采用失重试验、极化曲线分析、电化学阻抗谱、扫描电镜(SEM)、原子力显微镜(AFM)和x射线光电子能谱(XPS)等技术,在1 mol·L−1盐酸溶液中对3-羟基-2-萘基酰胺(HNA)进行了研究。电化学测试表明,随着浓度的增加,缓蚀效率逐渐提高,当浓度为10 mmol·L−1时,缓蚀效率最高,为94 %。海航作为混合型缓蚀剂,主要抑制阳极金属的溶解。利用SEM、AFM和XPS对碳钢进行表面分析,证实缓蚀剂吸附在金属表面,有效地分离了腐蚀介质。抑制剂的吸附符合Langmuir等温吸附模型,进一步支持了其在金属表面的吸附行为。
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引用次数: 0
Applications and challenges of graphene, MXenes, and transition metal dichalcogenides in electrochemical sensors for doping detection 石墨烯、MXenes和过渡金属二硫族化合物在掺杂检测电化学传感器中的应用和挑战
IF 2.4 4区 化学 Q4 ELECTROCHEMISTRY Pub Date : 2026-01-02 DOI: 10.1016/j.ijoes.2026.101281
Yongxiang Zhang , Ye Zhang
The integrity of competitive sports is perpetually challenged by the illicit use of performance-enhancing drugs. While laboratory-based methods like mass spectrometry represent the gold standard for confirmatory analysis, their inherent limitations in terms of cost, complexity, and turnaround time preclude their use for widespread, on-site screening. Electrochemical sensors have emerged as a powerful alternative, offering the potential for rapid, portable, and low-cost detection. This paradigm shift has been significantly accelerated by the advent of two-dimensional (2D) materials, whose unique physicochemical properties provide an ideal platform for developing next-generation sensing devices. This review provides a comprehensive and critical analysis of the application of 2D materials, including the graphene family, transition metal dichalcogenides (TMDs), and MXenes, in electrochemical sensors for detecting various classes of doping agents. Representative 2D-material-based platforms already achieve figures of merit compatible with anti-doping requirements, with rGO/CTAB-modified electrodes detecting testosterone down to 0.1 nM in urine and blood, MXene Ti₃C₂Tₓ–Fe₂O₃ aptasensors reaching limits of detection as low as 1.53 pg/mL across clinically relevant concentration ranges, and graphene-based stimulant sensors delivering stable electrochemical readouts from complex samples within tens of seconds to a few minutes. We critically examine the core arguments, controversies, and supporting evidence surrounding the performance of each material class, focusing on the intrinsic trade-offs between conductivity, functionalizability, and environmental stability. Furthermore, we delve into the overarching challenges that impede the transition from laboratory prototypes to field-deployable devices, namely the difficulties in scalable and reproducible material synthesis, the pervasive issue of biofouling in complex biological matrices, and the imperative for achieving high selectivity. Strategic solutions, including advanced surface modification techniques and the integration of specific molecular recognition elements like aptamers and molecularly imprinted polymers, are discussed in detail. Finally, we explore the future trajectory of the field, highlighting the integration of 2D material sensors into advanced systems such as wearable devices and microfluidic platforms, the development of multiplexed sensor arrays for simultaneous multi-analyte detection, and the transformative role of machine learning in processing complex sensor data to deliver actionable insights. The convergence of these technologies promises to revolutionize anti-doping enforcement, shifting the paradigm from reactive, post-competition testing to proactive, continuous monitoring to safeguard the health of athletes and ensure fair play.
竞技体育的诚信一直受到非法使用兴奋剂的挑战。虽然以实验室为基础的方法,如质谱法代表了验证性分析的金标准,但其在成本、复杂性和周转时间方面的固有局限性使其无法用于广泛的现场筛选。电化学传感器已经成为一种强大的替代方案,为快速、便携和低成本的检测提供了潜力。二维(2D)材料的出现大大加速了这种范式转变,其独特的物理化学性质为开发下一代传感设备提供了理想的平台。本文综述了二维材料,包括石墨烯家族、过渡金属二硫族化合物(TMDs)和MXenes,在电化学传感器中用于检测各种类型掺杂剂的应用。代表性的基于2d材料的平台已经实现了与反兴奋剂要求兼容的性能数字,rGO/ ctaba修饰电极检测尿液和血液中的睾丸激素低至0.1 nM, MXene Ti₃C₂Tₓ-Fe₂O₃传感器在临床相关浓度范围内的检测极限低至1.53 pg/mL,石墨烯基兴奋剂传感器在几十秒到几分钟内从复杂的样品中提供稳定的电化学读数。我们批判性地研究了围绕每种材料性能的核心论点、争议和支持证据,重点关注电导率、功能化和环境稳定性之间的内在权衡。此外,我们深入研究了阻碍从实验室原型到现场可部署设备过渡的总体挑战,即可扩展和可再生材料合成的困难,复杂生物基质中普遍存在的生物污染问题,以及实现高选择性的必要性。详细讨论了战略解决方案,包括先进的表面改性技术和特定分子识别元件(如适体和分子印迹聚合物)的集成。最后,我们探讨了该领域的未来发展轨迹,重点介绍了将二维材料传感器集成到先进系统(如可穿戴设备和微流控平台)中,开发用于同时检测多种分析物的多路传感器阵列,以及机器学习在处理复杂传感器数据以提供可操作见解方面的变革作用。这些技术的融合有望彻底改变反兴奋剂执法,将模式从被动的赛后检测转变为主动的持续监测,以保障运动员的健康并确保公平竞争。
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引用次数: 0
Front Matter1:Full Title Page 封面1:完整的标题页
IF 2.4 4区 化学 Q4 ELECTROCHEMISTRY Pub Date : 2026-01-01 DOI: 10.1016/S1452-3981(26)00008-8
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引用次数: 0
Failure mechanism of epoxy Zn–Al composite coatings on Q235 steel in industrial marine environments Q235钢表面环氧锌铝复合涂层在工业海洋环境中的失效机理
IF 2.4 4区 化学 Q4 ELECTROCHEMISTRY Pub Date : 2025-12-30 DOI: 10.1016/j.ijoes.2025.101276
Hao Yu , Hao Zhang , Yesheng Huang , Chang Liu , Haoyu Wu , Pan Yi , Jin Gao , Kui Xiao
To investigate the aging failure mechanism of epoxy Zn-Al composite coatings on steel grid supports in industrial marine environments, the corrosion conditions of “high Cl⁻ + high concentrations of industrial acid gases + alternating wet-dry cycles” in the Caofeidian Port Area of Bohai Bay were taken as the testing background. A salt spray/wet-dry alternating cycle test combined with outdoor exposure testing was adopted. Coating performance and morphological evolution were analyzed via thickness measurements, adhesion tests, electrochemical impedance spectroscopy (EIS), 3D laser confocal microscopy, scanning electron microscopy (SEM), and energy dispersive spectroscopy (EDS). Results indicate a three-stage failure progression: Initial protective stage (Cycles 0–3): The coating remains dense and smooth with minimal color change, gradual thickness increase, and high adhesion. EIS results show |Z| at 0.01 Hz is approximately 10⁸–10⁹ Ω·cm², demonstrating a significant physical barrier function. Localized failure stage (4 cycles): Localized rust spots appear on the coating surface, thickness growth accelerates, adhesion decreases abruptly, |Z| at 0.01 Hz drops to 10⁷ Ω·cm², and the penetration of corrosive media triggers Zn dissolution. Expanded failure stage (≥5 cycles): Corrosion spots expand, the contents of Zn and Al decrease sharply, Fe and O are enriched, |Z| at 0.01 Hz reaches 10⁶ Ω·cm², the coating blisters and peels off, leading to complete failure. This study provides a theoretical basis for optimizing protection strategies in industrial marine environments.
为研究海洋工业环境下钢网支架环氧锌铝复合涂层的老化失效机理,以渤海湾曹菲甸港区“高Cl - + 高浓度工业酸性气体+ 干湿交替循环”的腐蚀条件为试验背景。采用盐雾/干湿交替循环试验结合室外暴露试验。通过厚度测量、附着力测试、电化学阻抗谱(EIS)、三维激光共聚焦显微镜、扫描电子显微镜(SEM)和能量色散光谱(EDS)分析涂层性能和形态演变。结果表明:初始保护阶段(循环0-3):涂层保持致密光滑,颜色变化最小,厚度逐渐增加,附着力高。EIS结果显示,在0.01 Hz下,|Z|约为10⁸-10⁹Ω·cm²,显示出显著的物理屏障功能。局部失效阶段(4个循环):涂层表面出现局部锈斑,厚度增长加速,附着力突然下降,0.01 Hz下|Z|下降到10⁷Ω·cm²,腐蚀介质的渗透引发Zn溶解。扩展失效阶段(≥5次循环):腐蚀斑扩大,Zn和Al含量急剧下降,Fe和O富集,0.01 Hz下|Z|达到10⁶Ω·cm²,涂层起泡脱落,导致完全失效。本研究为海洋工业环境下的保护策略优化提供了理论依据。
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引用次数: 0
Artificial intelligence and machine learning in corrosion inhibitor design & development: Advances, challenges, and future perspectives 人工智能和机器学习在缓蚀剂设计和开发中的应用:进展、挑战和未来展望
IF 2.4 4区 化学 Q4 ELECTROCHEMISTRY Pub Date : 2025-12-29 DOI: 10.1016/j.ijoes.2025.101274
Ihsan ulhaq Toor
The emerging field of artificial intelligence (AI) and machine learning (ML) has opened new frontiers in corrosion science, particularly in the design, screening and performance prediction of corrosion inhibitors. Traditional experimental and quantum chemical approaches, while reliable, are often time-consuming and limited by empirical correlations. AI and ML driven models now offer a data-intensive alternative capable of predicting inhibitor efficiency, adsorption behavior, and electrochemical response with remarkable precision. Here in this study, recent progress in applying AI and ML algorithms such as artificial neural networks, support vector machines, decision trees, and deep learning frameworks to predict corrosion inhibition efficiency, adsorption mechanisms, and electrochemical parameters derived from potentiodynamic and impedance measurements are critically examined. The study reviews the data foundation essential for AI workflows including quantum, electrochemical, and image-based descriptors along with classical (SVR, RF, ANN), deep-learning (3L-DMPNN, ChemBERTa), and hybrid quantum ML architectures for inhibition efficiency prediction. Emerging generative models like MoIGPT have demonstrated the ability to design molecules conditioned on factors such as performance and toxicity. Meanwhile, integrated AI Electrochemistry pipelines connect machine learning predictions directly to experimental validation through electrochemical impedance spectroscopy and potentiodynamic polarization techniques. Despite remarkable advances, challenges remain in data standardization, model interpretability, scalability, and sustainability. Addressing these bottlenecks through FAIR data infrastructure, explainable and trustworthy AI, and green computational practices, will be critical for realizing the long-term vision of fully autonomous, eco-conscious, and self-optimizing corrosion-management ecosystems.
人工智能(AI)和机器学习(ML)的新兴领域为腐蚀科学开辟了新的领域,特别是在缓蚀剂的设计、筛选和性能预测方面。传统的实验和量子化学方法虽然可靠,但往往耗时且受经验相关性的限制。人工智能和机器学习驱动的模型现在提供了一种数据密集型的替代方案,能够以极高的精度预测抑制剂的效率、吸附行为和电化学响应。在本研究中,对人工神经网络、支持向量机、决策树和深度学习框架等人工智能和机器学习算法的最新进展进行了严格的研究,以预测缓蚀效率、吸附机制以及从动电位和阻抗测量中得出的电化学参数。该研究回顾了人工智能工作流程所必需的数据基础,包括量子、电化学和基于图像的描述符,以及用于抑制效率预测的经典(SVR、RF、ANN)、深度学习(3L-DMPNN、ChemBERTa)和混合量子ML架构。像MoIGPT这样的新兴生成模型已经证明了根据性能和毒性等因素设计分子的能力。同时,集成的AI电化学管道通过电化学阻抗谱和动电位极化技术将机器学习预测直接连接到实验验证。尽管取得了显著的进步,但在数据标准化、模型可解释性、可扩展性和可持续性方面仍然存在挑战。通过FAIR数据基础设施、可解释和可信赖的人工智能以及绿色计算实践来解决这些瓶颈,对于实现完全自主、生态意识和自我优化腐蚀管理生态系统的长期愿景至关重要。
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引用次数: 0
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International Journal of Electrochemical Science
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