Anti-Corrosion Performance of Ruta Graveolens Essential Oil as A Green Inhibitor for Mild Steel in 1 M HCl: Evaluations of Electrochemical, DFT And Monte Carlo

Manssouri, Mounir; Chraka, Anas; Raissouni, Ihssane; Wahby, Anass; EL Aouad, Noureddine

doi:10.22034/abec.2024.714076

Anti-Corrosion Performance of Ruta Graveolens Essential Oil as A Green Inhibitor for Mild Steel in 1 M HCl: Evaluations of Electrochemical, DFT And Monte Carlo

Document Type : Original Article

Authors

Mounir Manssouri ¹

Anas Chraka ²

Ihssane Raissouni ²

Anass Wahby ³

Noureddine EL Aouad ⁴

¹ Research Team on Natural Products Chemistry and Smart Technologies (NPC-ST), Polydisciplinary Faculty of Larache, Abdelmalek Essaadi University, Tetouan, Morocco

² Materials and Interfacial Systems Laboratory, ERESI Team, Department of Chemistry, Faculty of Sciences, Abdelmalek Essaadi University, Tetouan, Morocco

³ Laboratory of, Water, Studies and Environmental Analysis, Faculty of Sciences, Abdelmalek Essaadi University, Tetouan, Morocco

⁴ Laboratory of Life and Health Sciences, Faculty of Medicine and Pharmacy, Abdelmalek Essaadi University, Tetouan, Morocco

10.22034/abec.2024.714076

Abstract

Environmental issues have received considerable attention in recent years, and the use of green corrosion inhibitors has become the main topic of most researchers. The current study was focused on evaluating the essential oil from aerial parts of the Ruta Graveolens L. (RG-(EO)) has been used as an eco-friendly corrosion inhibitor on Mild Steel (MS) at 1 M HCl solution. The characterization method (i.e., gas chromatography-mass spectrometry (GC/MS)) identified 21 constituents representing 95.3% of the total amount and undecan-2-one (U2ONE) has been identified as the main constituent of RG-(EO). The inhibiting effect of RG-(EO) on the corrosion of MS in 1 M HCl solution was tested by the measurements of Weight loss (WL), potentiodynamic polarization (PDP), electrochemical impedance spectroscopy (EIS) as well as quantum chemical calculation methods. The PDP test findings showed that the effectiveness of MS inhibition increased with the addition of the RG-(EO), reaching almost 94.80% at 2.00 g/L. The thermodynamic analysis showed that the inhibition efficiency increases slightly with an increase in the temperature of the medium (308-343 K). Moreover, the thermodynamic kinetic parameters showed that the adsorption of RG-(EO) on MS surface sites is subject to the Langmuir adsorption isotherm. Finally, the theoretical studies based on quantum chemical analysis (i.e. density functional theory (DFT)) and Monte Carlo (MC) simulation were also performed for understanding the adsorption mechanism of U2ONE onto Fe-surface.

Keywords

Corrosion inhibitors

Ruta Graveolens L

Electrochemical methods

Undecan-2-one

Monte Carlo simulation

DFT

Subjects