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席夫碱及其金属配合物在15 wt%盐酸溶液中对低碳钢缓蚀作用的吸附行为的电化学和量子化学研究

Electrochemical and quantum chemical investigation on the adsorption behavior of a schiff base and its metal complex for corrosion protection of mild steel in 15 wt% HCl solution.

作者信息

El-Haitout Badr, Sardjono Ratnaningsih Eko, Es-Sounni Bouchra, Chafiq Maryam, Salghi Rachid, Bakhouch Mohamed, Al-Moubaraki Aisha H, Al-Ahmari Jamilah M, Al-Ghamdi Azza A, Fahim Mohammed, Hammouti Belkheir, Chaouiki Abdelkarim, Ko Young Gun

机构信息

Laboratory of Applied Chemistry and Environment, ENSA, University Ibn Zohr, PO Box 1136, Agadir, 80000, Morocco.

Chemistry Program, Universitas Pendidikan Indonesia, Setiabudi 229, Bandung, 40154, Indonesia.

出版信息

Heliyon. 2024 Nov 23;10(23):e40662. doi: 10.1016/j.heliyon.2024.e40662. eCollection 2024 Dec 15.

DOI:10.1016/j.heliyon.2024.e40662
PMID:39660179
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC11629228/
Abstract

This work evaluates the effectiveness of Schiff base derivatives, namely, 2,2'-((1E,1'E)-((2,2-dimethylpropane-1,3-diyl)bis(azaneylylidene))bis(methaneylylidene))diphenol (DAMD) and (2-((E)-((3-(((E)-2-hydroxybenzylidene)amino)-2,2dimethylpropyl)imino)methyl)phenoxy) zinc (HDMZ), as corrosion inhibitors for mild steel in a 15 % HCl solution. By employing a blend of experimental assessments and theoretical computations, such as electrochemical tests, morphological observations, and theoretical simulations, the study achieved an impressive up to 94.6 % inhibition efficiency. Notably, HDMZ exhibited significant protective properties. The results of PDP showed that both inhibitors act as mixed-type corrosion inhibitors. SEM surface analysis of the uninhibited and inhibited samples revealed the formation of a protective layer of inhibitor molecules on the mild steel surface to mitigate its corrosion. The Langmuir adsorption model verified the occurrence of dual adsorption, while theoretical simulations offered insights into the underlying interaction mechanisms. The identification of Schiff-based inhibitors reveals a pronounced synergistic effect in corrosion inhibition, marking a significant advancement in understanding corrosion control mechanisms. This study illuminates the process of forming covalent bonds between inhibitor molecules and iron atoms, presenting a hopeful path towards the advancement of corrosion inhibitors tailored for industrial use. The parallel adsorption configuration and mutual interactions form a stable structure, reinforcing the organic-metal bonds and enhancing both chemical and physical adhesion to the steel surface. These findings indicate that the synergistic effect of molecular interactions and polar-rich regions offers a promising strategy for designing functional hybrid materials.

摘要

本研究评估了席夫碱衍生物,即2,2'-((1E,1'E)-((2,2-二甲基丙烷-1,3-二亚基)双(氮烯基亚基))双(亚甲基))二苯酚(DAMD)和(2-((E)-((3-(((E)-2-羟基苄基亚基)氨基)-2,2-二甲基丙基)亚氨基)甲基)苯氧基)锌(HDMZ)在15%盐酸溶液中作为低碳钢缓蚀剂的有效性。通过采用实验评估和理论计算相结合的方法,如电化学测试、形态观察和理论模拟,该研究实现了高达94.6%的令人印象深刻的缓蚀效率。值得注意的是,HDMZ表现出显著的保护性能。极化电阻(PDP)结果表明,两种缓蚀剂均为混合型缓蚀剂。对未加缓蚀剂和加缓蚀剂样品的扫描电子显微镜(SEM)表面分析表明,在低碳钢表面形成了缓蚀剂分子的保护层,以减轻其腐蚀。朗缪尔吸附模型证实了双重吸附的发生,而理论模拟则深入了解了潜在的相互作用机制。基于席夫碱的缓蚀剂的鉴定揭示了在缓蚀方面有显著的协同效应,标志着在理解腐蚀控制机制方面取得了重大进展。本研究阐明了缓蚀剂分子与铁原子之间形成共价键的过程,为开发适用于工业用途的缓蚀剂提供了一条充满希望的途径。平行吸附构型和相互作用形成了稳定的结构,加强了有机-金属键,并增强了对钢表面的化学和物理附着力。这些发现表明,分子相互作用和富极性区域的协同效应为设计功能性杂化材料提供了一种有前景的策略。

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