Theoretical and experimental studies on the electrochemical behavior of steel in HCl solution in the presence of two bio-inhibitor mixtures

In this new study, the inhibitory effectiveness of two bio-inhibitor mixtures has been studied on the corrosion characteristics of carbon steel in an HCl environment. The inhibitors were derived from a plant seed (<i>quinoa</i> seed-QS) and an insect extract (<i>Oestrus ovis</i> larvae-OOL). The total inhibitor concentration was a variable factor even the ratio of bio-inhibitor concentration was a fixed parameter. The electrochemical behavior of steel substrate was investigated through the Tafel polarization and electrochemical impedance spectroscopy measurements. Fourier transform infrared spectroscopy and field emission scanning electron microscopy were performed to identify bonds and analyze the morphology of the corroded surface of the steel. Additionally, molecular dynamics (MD) simulation and quantum calculations were applied to investigate the inhibitory influence of utilized bio-inhibitors. The experimental results indicated that the corrosion resistance decreased to 85 % when the optimum total concentration of the bio-inhibitor was 1 g L^-1. The Langmuir model was used to illustrate the adsorption mechanism on the steel surface when physical adsorption occurred. Quantum chemical calculations revealed that the QS-inhibitor adsorbed more effectively onto the metal surface than the OOLE-inhibitor, due in part to a lower energy gap and higher HOMO energy. MD simulation and Monte Carlo calculations further confirmed that the QS-inhibitor was adsorbed on the Fe (110) surface with higher adsorption energy than the OOLE-inhibitor.