The Blue Tansy essential oil as eco-friendly corrosion inhibitor of the mild steel in 1 M HCl solution: Electrochemical study, DFTB computation and Monte Carlo simulation

Abstract

The chemical composition of Blue Tansy essential oil (BTES) was performed by gas chromatography (GC) coupled to a flame ionization detector (FID). The corrosion-resistance ability of the mild steel in hydrochloric acid solution using BTES was tested by means of weight loss measurements, Potentiodynamic polarization study and the Dynamic electrochemical impedance spectroscopy (EIS). The inhibition efficiency of BTES increased with the inhibitor concentration and its inhibitory behavior follow a damped oscillation. To explain the anti-corrosion mechanism of the BTES and to calculate quantum chemical parameters, the theory of the functional density of Tight bonding (DFTB+) computation and the Monte Carlo simulation were applied.