Synthesis and investigation of novel sulfonamide-1,2,3-triazoles corrosion inhibitors for E24 steel in 1 M HCl solution: A combination of modeling and experimental approaches

Abstract

Carbon steel is widely employed across various industrial sectors due to its advantageous properties. However, corrosion remains a significant issue, particularly in acidic environments. In this study, we employed two novel organic compounds: 2-(propylaminecarbonyl)-N-((1-(benzyl)-1H-1,2,3-triazol-4-yl)methyl)benzenesulfonamide (BTMB) and 2-((1-(4-bromo-phenyl)-1H-1,2,3-triazol-4-yl)methyl)benzo[d]isothiazol-3(2H)-one 1,1-dioxide (BPMS). These compounds were evaluated for the first time as corrosion inhibitors for E24 steel in a 1 M HCl solution. The inhibitory performance of BTMB and BPMS was assessed using various electrochemical techniques coupled with computational chemistry approaches. Potentiodynamic polarization (PDP) curve data revealed that the inhibition efficiency of both BTMB and BPMS increases with concentration, reaching maximum efficiencies of 92.33% and 89.37%, respectively, at 1 mM concentration. Additionally, the PDP curves indicated that BTMB and BPMS act as mixed-type inhibitors. Both inhibitors demonstrated significant efficacy across a broad temperature range (293–323 K). The adsorption behavior of these inhibitors on the E24 steel surface adhered to the Langmuir adsorption isotherm. To elucidate the experimental findings at the electronic and atomic scales, computational studies were conducted using density functional theory (DFT), Monte Carlo (MC) simulations, and molecular dynamics (MD) simulations.