Molecular dynamic simulation, quantum chemical calculation and electrochemical behaviour of Punica granatum peel extract as eco-friendly corrosion inhibitor for stainless steel (SS-410) in acidic medium

Environmental pollution is a current global concern. Cleaning of petroleum pipes involve 15% hydrochloric acid (HCl) treatment. Metal corrosion because of acid treatment is a common problem in petroleum industry. Chemical anticorrosive agent can be used but trigger environmental concerns. Therefore, use of waste material as green anticorrosive agent is a preferable solution to corrosion of petroleum grade steel. In current study waste from Punica granatum fruit peel was used to prevent corrosion of stainless steel 410 (SS-410) in presence of 15% HCl. Potentiodynamic polarization study revealed maximum 91.79 % corrosion inhibition efficiency of Punica granatum fruit peel extract at 4 g/L in 15% HCl solution. P. granatum peel extract showed anodic type of inhibition. The adsorption of the peel extract of P. granatum on the SS-410 surface was evident from scanning electron microscopy, atomic force microscopy and X-rays diffraction studies. The P. granatum peel extract formed a monolayer on the surface of SS-410 as it followed Langmuir adsorption isotherm. Theoretical and computational studies confirmed that Quercetin was main phytochemical responsible for the anti-corrosive effect. The interaction between Quercetin and SS-410 surface interactions was studied by Molecular simulation studies. Overall P. granatum peel extract possessed anti-corrosive behaviour against SS-410 surface in 15% hydrochloric acid. (C) 2021 Elsevier B.V. All rights reserved.

Automated summary

This study used waste from Punica granatum fruit peel to prevent corrosion of stainless steel 410 in the presence of 15% hydrochloric acid. The results showed that the peel extract had a high corrosion inhibition efficiency. Microscopy and diffraction studies confirmed the adsorption of the peel extract on the stainless steel surface. Theoretical and computational studies identified Quercetin as the main phytochemical responsible for the anti-corrosive effect.