Effect of the Structure and Temperature on Corrosion Inhibition of Thiourea Derivatives in 1.0 M HCl Solution

[Image: see text] The corrosion inhibition ability of 1-phenyl-2-thiourea (PTU) and 1,3-diisopropyl-2-thiourea (ITU) for mild steel in 1.0 M hydrochloric was studied by using the potentiodynamic polarization (PDP) curves, electrochemical impedance spectroscopy (EIS), quantum chemical calculations, and Monte Carlo simulations. Conditions which influence the capacity of corrosion inhibition including concentration, structure of thiourea derivatives, and environment temperature were taken into investigation. The highest inhibition efficiencies of PTU and ITU are 98.96 and 92.65% at a concentration of 5 × 10(–3) M at 60 °C. In fact, corrosion inhibition ability of PTU is better than that of ITU in acidic solution due to the presence of the benzene ring of PTU. EIS data are very well correlated with PDP results. In addition, the higher inhibition performance with enhancing temperature and the values of ΔG(0) indicated that PTU and ITU participate in chemical adsorption on the metal surface. Their adsorption process on the metal surface follow the Langmuir adsorption isotherm. Both experimental and theoretical results in this study are in good agreement.