ABSTRACT

This paper presents a new study on imidazole derivatives namely 1H-imidazole (IM), N-methylimidazole (MIM) and 1H-benzimidazole (BIM) as a corrosion inhibitor for brass in nitric acid medium. Electrochemical results demonstrate that the inhibition increases with a high concentration of imidazole derivatives; the inhibitory efficiency reaches a maximum of 94% at 10–2 mol L⁻¹ for BIM. SEM morphology and EDS analysis show that these derivatives are adsorbed onto the brass interface, the brass sample is effectively protected and the surface becomes relatively flat, which is more significant in the presence of 1H-benzimidazole. FTIR results confirm the retention of BIM on the interface of Cu-Zn alloys. In addition, quantum chemistry calculation manifests that the three derivatives can reveal high anticorrosion properties. Molecular dynamics simulation data manifest that the three imidazole derivatives can be adsorbed at the brass surface in a paralleled way, and have large binding energy.

Highlights

• A new action of imidazole derivatives to mitigate brass corrosion was explored in HNO₃.

• BIM showed inhibitory efficiency more than 94% in HNO₃ solution.

• The inhibition mechanism is studied using SEM/EDS surface analysis and FTIR analysis.

• The calculated adsorption energies are ranked in the following order: BIM > MIM > IM.

• Theoretical and experimental results lead to used imidazole derivatives as potential corrosion inhibition for brass in $\mathrm{H}\mathrm{N}{\mathrm{O}}_3$ solution.

中文翻译：

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了解咪唑衍生物在硝酸中作为黄铜腐蚀抑制剂的作用：实验和理论评估相结合

摘要

本文介绍了一种新的咪唑衍生物研究，即 1H-咪唑 (IM)、N-甲基咪唑 (MIM) 和 1H-苯并咪唑 (BIM) 作为黄铜在硝酸介质中的缓蚀剂。电化学结果表明，高浓度的咪唑衍生物抑制作用增强；^{抑制效率在 10-2 mol L -1}时达到最大值 94%用于 BIM。SEM形貌和EDS分析表明，这些衍生物吸附在黄铜界面上，黄铜样品得到有效保护，表面变得相对平坦，这在1H-苯并咪唑的存在下更为显着。FTIR 结果证实了 BIM 在 Cu-Zn 合金界面上的保留。此外，量子化学计算表明，这三种衍生物具有较高的防腐性能。分子动力学模拟数据表明，三种咪唑衍生物可以平行吸附在黄铜表面，具有较大的结合能。

强调

• _{在HNO 3}中探索了咪唑衍生物减轻黄铜腐蚀的新作用。

• _{BIM在HNO 3}溶液中的抑制效率超过94% 。

• 使用 SEM/EDS 表面分析和 FTIR 分析研究抑制机制。

• 计算的吸附能按以下顺序排列：BIM > MIM > IM。

• 理论和实验结果表明使用咪唑衍生物作为黄铜的潜在缓蚀剂$\mathrm{H}\mathrm{ñ}{\mathrm{○}}_3$解决方案。