Understanding imidazole derivatives effect as a corrosion inhibitor for brass in nitric acid: a combined experimental and theoretical assessments

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.

Automated summary

The study demonstrates the inhibitory efficiency of imidazole derivatives on brass corrosion in nitric acid medium, with a particular focus on 1H-benzimidazole. The adsorption of the derivatives onto the brass interface effectively protects the brass sample and results in a relatively flat surface.