To investigate the anticorrosive properties of Ageratina adenophora extract as a green inhibitor for SS-410 in hydrochloric acid solution: Experimental and computational studies.

Abstract

Metal oxidation is a significant concern for our metal structures, leading to substantial financial losses annually. It is important to address this issue effectively. In this research work, the plant Ageratina adenophora extract (AAE) was first time introduced as a bio-anticorrosion agent for stainless steel SS-410 in an acidic medium. This investigation involved assessing the corrosion of SS-410 in a solution of 0.5 M HCl, with help of the coupon method, electrochemical impedance spectroscopy, and Tafel analysis. The study further investigated the impact of different concentrations of AAE on SS-410 corrosion resistance capacity. The adhesion of AAE constituents to the SS-410 surface was investigated using UV–visible spectrophotometers and a scanning electron microscope (SEM). Major phytochemicals of AAE were investigated by LCMS, revealing the presence of 5-b-glucosyl-7-demethoxy-encecalin, 8‑hydroxy-8-b-glucosyl-2-carene, and 7‑hydroxy-dehydrotremetone. AAE has achieved a maximum efficiency of 93.41 % at 200 ppm in 0.5 M HCl. The inhibitor adsorptive function of the phytochemicals on the Fe(110) surface was investigated through the utilization of Monte Carlo (MC), Density Functional Theory (DFT), and Molecular Dynamics (MD) simulations.