Corrosion Protection of Mild Steel in Acidic Media by a Novel Triazole-Based Inhibitor: Mechanistic Insights and Performance Evaluation

Articles in Press

Document Type : Original Article

Author

Iraq-Bagdad-10001

Abstract

The current study explore the anticorrosion performance of 4-(4-methoxybenzylidene)amino-5-pyridin-3-yl-3-thio-1,2,4-triazole (MAPTT) for mild steel in 1 M HCl solution via weight loss (WL) techniques using varying concentrations (0.1–1.0 mM) and exposure times (1–48 hours). The inhibition efficiency (IE%) increased with concentration, with the highest efficiency reaching 92.7% at the optimum inhibitor concentration of 0.5 mmol after 48 h. While the efficiency improved with immersion time, it plateaued after 10 hours. Temperature investigates (303-333 K) for 5 h demonstrated a slight enhancement in the anti-inhibitory performance, confirming the thermal stability of MAPTT. The adsorption analysis followed the Langmuir model, indicating both chemical and physical adsorption mechanisms. Compared to previously published inhibitors, MAPTT showed considerable efficiency owning to its ability to form a stable protective layer at increased temperatures, providing long-term corrosion impedance. Quantum chemical calculations using density functional theory (DFT), as well as HOMO and LUMO distributions highlighting the key adsorption sites, confirm the enhanced inhibitory efficiency. The energy gap (Δ𝐸) and the fraction of electrons transferred (Δ𝑁) values confirm the strong interaction of MAPTT molecules with the surface of the mild steel. The exceptional agreement between DFT and experimental findings confirms the potential of MAPTT as a highly efficient and thermally stable inhibitor, offering significant advantages for industrial applications requiring corrosion protection in corrosive media.

Keywords

Main Subjects

Progress in Color, Colorants and Coatings

Articles in Press, Accepted Manuscript
Available Online from 23 June 2025

Files

Share

How to cite

Statistics