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.

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.