Experimental and computational exploration of the biodegradable platanus acerifolia leaf extract against mild steel corrosion in hydrochloric acid

Abstract

This study delved into the potential application of Platanus acerifolia leaf extract (PALE) as an environmentally benign corrosion inhibitor. Evaluation of corrosion inhibition was conducted using electrochemical methods, field emission scanning electron microscopy equipped with energy dispersive spectrometer. The results reveal that PALE offers efficient protection for Q235 steel across the temperature range of 298 K–318 K, achieving a maximum corrosion inhibition efficiency of approximately 93%. Furthermore, Density functional theory (DFT) calculations and molecular dynamics (MD) simulations were performed to elucidate the spontaneous and stable adsorption of PALE molecules onto the surface of Q235 steel. This adsorption impedes the diffusion of corrosive substances towards the steel surface, thereby endowing Q235 steel with robust corrosion resistance.

Keywords

• Q235 steel
• Green corrosion inhibitor
• SVET
• DFT calculations
• MD simulations