Comprehensive assessment of the corrosion inhibition properties of quinazoline derivatives on mild steel in 1.0 M HCl solution: An electrochemical, surface analysis, and computational study

Abstract

The efficacy of two compounds, namely 12-(4-chlorophenyl)-3,3-dimethyl-3,4,5,12-tetrahydrobenzo[4,5] imidazo[2,1-b]quinazolin-1(2H)-one (Q-Cl) and 3,3-dimethyl-12-phenyl-3,4,5,12-tetrahydrobenzo[4,5]imidazo[2,1-b]quinazolin-1(2H)-one (Q-H), in inhibiting corrosion on mild steel in 1.0 M hydrochloric acid was evaluated. Surface analytical techniques and electrochemical procedures were employed for examination. The results demonstrated that both Q-Cl and Q-H significantly inhibit corrosion. Specifically, Q-Cl achieved an inhibition efficiency of 85.2 % at a concentration of 10⁻³ M, while Q-H exhibited a higher inhibition efficiency of 91.5 %. Electrochemical investigations suggested that both Q-Cl and Q-H acted as inhibitors of mixed-type corrosion. These chemicals efficiently prevented metal corrosion through adsorption, conforming to Langmuir's adsorption isotherm model. The adsorption mechanism of corrosion inhibition was further supported by surface investigations and scanning electron microscopy-energy-dispersive X-ray spectroscopy (SEM-EDX). Additionally, Density Functional Theory (DFT) and other computational approaches were employed to study the anti-corrosion mechanism of Q-Cl and Q-H. These simulations yielded theoretical results that aligned with the preceding experimental findings.