Electrochemical and Theoretical Study of the Inhibition of Carbon Steel Corrosion by Lavender Essential Oil in 1M Hydrochloric Acid
摘要
The inhibitory effect of lavender essential oil (LV) on the corrosion of carbon steel in a 1 M HCl solution at 298 K was evaluated using electrochemical and theoretical approaches. Potentiodynamic polarization measurements showed that LV acts as a mixed inhibitor, reaching a maximum efficiency of 92.49% at 5 mL/L, confirmed by electrochemical impedance spectroscopy (89.70%). Adsorption follows the Langmuir isotherm with ΔGºads = –23.64 kJ mol⁻1, reflecting spontaneous mixed physicochemical adsorption. DFT calculations revealed that the three main phytochemical constituents (camphor, 1,8-cineole, and camphene) have similar electronic properties that favor electron transfer to Fe. Monte Carlo and molecular dynamics simulations confirmed negative adsorption energies (up to –97 kcal mol⁻1) and the formation of chemical bonds with Fe (110). Thus, LV appears to be an effective and environmentally friendly corrosion inhibitor for carbon steel in acidic environments.