Experimental, Quantum Chemical and Monte Carlo Simulation Studies on the Corrosion Inhibition of Mild Steel by Three New Schiff Base Derivatives

IF 16.4 1区化学 Q1 CHEMISTRY, MULTIDISCIPLINARY

Accounts of Chemical Research Pub Date : 2021-01-01 DOI:10.4152/pea.2021390501

A. Nahlé, M. El-Azzouzi, A. Aouniti, F. Abrigach, A. Djedouani, I. Warad, I. Obot, A. Zarrouk, B. Hammouti

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引用次数: 4

Abstract

The corrosion inhibition of newly synthesized Schiff base derivatives, namely (E)-3-(1-((2-aminophenyl)imino)ethyl)-4-hydroxy-6-methyl-2H-pyran-2-one (FMO), (E)-3-(1-((3-aminophenyl)imino)ethyl)-4-hydroxy-6-methyl-2H-pyran-2-one (FMM), and (E)-3-(1-((4-aminophenyl)imino)ethyl)-4-hydroxy-6-methyl-2H-pyran-2-one (FMP) was investigated for mild steel, in a 1.0 M HCl medium, using weight loss, electrochemical impedance spectroscopy, potentiodynamic polarization and theoretical calculations. FMO, FMM and FMP inhibition effectiveness increased with higher inhibitors concentrations, and decreased with a rise in temperature. Polarization studies showed that FMO, FMM and FMP were of mixed type nature. The results obtained from AC-impedance technique were analyzed to model the corrosion inhibition process through a suitable equivalent circuit model, where a constant phase element (CPE) has been used. FMO, FMM and FMP were found to obey Langmuir adsorption isotherm and Kinetic-Thermodynamic Model of El-Awady. Quantum chemical calculations were used to provide molecular based explanations for FMO, FMM and FMP inhibitive effects. Monte Carlo simulation studies and experimental results were in good agreement.

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三种新型希夫碱衍生物对低碳钢缓蚀作用的实验、量子化学和蒙特卡罗模拟研究

通过失重、电化学阻抗谱、动电位极化和理论计算，研究了新合成的希夫碱衍生物(E)-3-(1-(2-氨基苯基)亚胺)乙基)-4-羟基-6-甲基- 2h -吡喃-2-one (FMO)、(E)-3-(1-(3-氨基苯基)亚胺)乙基)-4-羟基-6-甲基- 2h -吡喃-2-one (FMM)和(E)-(1-(4-氨基苯基)亚胺)乙基)-4-羟基-6-甲基- 2h -吡喃-2-one (FMP)在1.0 M HCl介质中对低碳钢的缓蚀作用。FMO、FMM和FMP的抑制效果随抑制剂浓度的增加而增加，随温度的升高而降低。极化研究表明，FMO、FMM和FMP为混合型。分析了交流阻抗技术得到的结果，通过合适的等效电路模型来模拟腐蚀抑制过程，其中使用了恒相元件(CPE)。FMO、FMM和FMP均服从Langmuir吸附等温线和El-Awady动力学-热力学模型。利用量子化学计算为FMO、FMM和FMP的抑制作用提供了分子基础的解释。蒙特卡罗模拟研究与实验结果吻合较好。

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来源期刊

Accounts of Chemical Research 化学-化学综合

CiteScore

31.40

自引率

1.10%

发文量

312

审稿时长

2 months

期刊介绍： Accounts of Chemical Research presents short, concise and critical articles offering easy-to-read overviews of basic research and applications in all areas of chemistry and biochemistry. These short reviews focus on research from the author’s own laboratory and are designed to teach the reader about a research project. In addition, Accounts of Chemical Research publishes commentaries that give an informed opinion on a current research problem. Special Issues online are devoted to a single topic of unusual activity and significance. Accounts of Chemical Research replaces the traditional article abstract with an article "Conspectus." These entries synopsize the research affording the reader a closer look at the content and significance of an article. Through this provision of a more detailed description of the article contents, the Conspectus enhances the article's discoverability by search engines and the exposure for the research.