A combined experimental and theoretical study of a novel corrosion inhibitor derived from thiophen

Abstract

Abstract In this study, we synthesized a novel corrosion inhibitor derived from thiophene and conducted a comprehensive evaluation of its inhibitory properties through both experimental and theoretical approaches. Our investigation encompassed experimental assessments employing Mass loss tests and electrochemical techniques. Additionally, we performed computational studies to delve into the electronic structure and bonding characteristics of the inhibitor, aiming to elucidate its inhibitory mechanism. Our findings revealed that the synthesized inhibitor displayed remarkable inhibitory efficiency, demonstrating its effectiveness in preventing the corrosion of mild steel. Specifically, the thiophene derivative exhibited an impressive inhibitory efficiency of 92.8%, underscoring its potential as a robust corrosion inhibitor for mild steel. Furthermore, this study delved into optimizing the conditions for employing the thiophene derivative as a corrosion inhibitor. Our investigation revealed that the most effective inhibition was achieved at a concentration of 0.5 mM and a temperature of 303 K. To elucidate the interaction between the inhibitor and the mild steel surface, we applied the Langmuir adsorption isotherm concept, shedding light on both the physical and chemical adsorption processes of the thiophene derivative on the metal's surface. Our investigations demonstrated that the addition of the inhibitor significantly reduced the corrosion rate of the metal. Our computational results further reinforced these experimental findings, indicating that the inhibitor formed stable adsorption complexes on the metal surface. This dual confirmation from experimental and computational approaches strengthens the confidence in the inhibitor's efficacy in mitigating corrosion.

Keywords

• corrosion inhibitor
• density functional theory (DFT)
• mild steel
• Thiophen
• weight loss