Investigating the Inhibitory Properties of Cupressus sempervirens Extract against Copper Corrosion in 0.5 M H2SO4: Combining Quantum (Density Functional Theory Calculation-Monte Carlo Simulation) and Electrochemical-Surface Studies

The study investigates the potential of Cupressussempervirens (EO) as a sustainable and eco-friendlyinhibitor of copper corrosion in a 0.5 M sulfuric acid medium. Theelectrochemical impedance spectroscopy analysis shows that the effectivenessof corrosion inhibition rises with increasing inhibitor concentrations,reaching 94% with the application of 2 g/L of EO, and potentiodynamicpolarization (PDP) studies reveal that EO functions as a mixed-typecorrosion inhibitor. In addition, the Langmuir adsorption isothermis an effective descriptor of its adsorption. Scanning electron microscopy/energy-dispersiveX-ray spectroscopy, atomic force microscopy surface examination, andcontact angle measurement indicate that EO may form a barrier layeron the metal surface. Density functional theory calculations, MonteCarlo simulation models, and the radial distribution function werealso used to provide a more detailed understanding of the corrosionprotection mechanism. Overall, the findings suggest that Cupressus sempervirens (EO) has the potential toserve as an effective and sustainable corrosion inhibitor for copperin a sulfuric acid medium, contributing to the development of greencorrosion inhibitors for environmentally friendly industrial processes.