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研究提取物在0.5M硫酸中对铜腐蚀的抑制性能:结合量子(密度泛函理论计算-蒙特卡罗模拟)和电化学-表面研究

Investigating the Inhibitory Properties of Extract against Copper Corrosion in 0.5 M HSO: Combining Quantum (Density Functional Theory Calculation-Monte Carlo Simulation) and Electrochemical-Surface Studies.

作者信息

Dahmani Khadija, Galai Mouhsine, Ech-Chebab Adil, Al-Zaqri Nabil, Ouakki Moussa, Elgendy Amr, Ez-Zriouli Rabab, Kim Seong-Cheol, Touhami Mohamed Ebn, Cherkaoui Mohammed

机构信息

Laboratory of Organic, Inorganic Chemistry, Electrochemistry and Environment, Faculty of Sciences, Ibn Tofaïl University, P.O. Box 133, 14000 Kenitra, Morocco.

Advanced Materials and Process Engineering, Faculty of Sciences, Ibn Tofaïl University, P.O. Box 133, 14000 Kenitra, Morocco.

出版信息

ACS Omega. 2023 Jun 29;8(27):24218-24232. doi: 10.1021/acsomega.3c00589. eCollection 2023 Jul 11.

DOI:10.1021/acsomega.3c00589
PMID:37457481
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC10339412/
Abstract

The study investigates the potential of (EO) as a sustainable and eco-friendly inhibitor of copper corrosion in a 0.5 M sulfuric acid medium. The electrochemical impedance spectroscopy analysis shows that the effectiveness of corrosion inhibition rises with increasing inhibitor concentrations, reaching 94% with the application of 2 g/L of EO, and potentiodynamic polarization (PDP) studies reveal that EO functions as a mixed-type corrosion inhibitor. In addition, the Langmuir adsorption isotherm is an effective descriptor of its adsorption. Scanning electron microscopy/energy-dispersive X-ray spectroscopy, atomic force microscopy surface examination, and contact angle measurement indicate that EO may form a barrier layer on the metal surface. Density functional theory calculations, Monte Carlo simulation models, and the radial distribution function were also used to provide a more detailed understanding of the corrosion protection mechanism. Overall, the findings suggest that (EO) has the potential to serve as an effective and sustainable corrosion inhibitor for copper in a sulfuric acid medium, contributing to the development of green corrosion inhibitors for environmentally friendly industrial processes.

摘要

该研究考察了(某种物质,原文未完整给出)在0.5 M硫酸介质中作为铜腐蚀的可持续且环保型缓蚀剂的潜力。电化学阻抗谱分析表明,缓蚀效果随缓蚀剂浓度增加而提高,在施加2 g/L的该物质时,缓蚀效率达到94%,动电位极化(PDP)研究表明该物质起混合型缓蚀剂的作用。此外,朗缪尔吸附等温线是其吸附的有效描述。扫描电子显微镜/能量色散X射线光谱、原子力显微镜表面检测和接触角测量表明该物质可能在金属表面形成阻挡层。密度泛函理论计算、蒙特卡罗模拟模型和径向分布函数也被用于更详细地理解腐蚀防护机理。总体而言,研究结果表明(某种物质,原文未完整给出)有潜力作为硫酸介质中铜的有效且可持续的缓蚀剂,为环境友好型工业过程中绿色缓蚀剂的开发做出贡献。

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