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Experimental and computational studies of perillaldehyde isolated from Ammodaucus leucotrichus essential oil as a green corrosion inhibitor for mild steel in 1.0 M HCl

Mounir Manssouri, Mohamed Znini, Zouhair Lakbaibi, Abdeslam Ansari, and Yassir El Ouadi

Laboratory of Natural Substances & Synthesis and Molecular Modeling, Faculty of Sciences and Techniques, Moulay Ismail University of Meknes, Errachidia, Morocco



Received: 10 June 2020  Accepted: 10 September 2020


Corrosion inhibition of mild steel in 1 M HCl by perillaldehyde (PER), isolated from the essential oil of Ammodaucus leucotrichus, was evaluated by the weight loss (WL) analysis, potentiodynamic polarization (PDP) and electrochemical impedance spectroscopy (EIS). Using WL measurements, the inhibitory effect was increased with the increase in both the inhibitor concentration and the temperature. The PDP curves proved that the inhibitor acts as a mixed-type inhibitor. EIS studies indicated that the inhibition process is controlled by the charge transfer mechanism. The adsorption parameters revealed that the adsorption of this inhibitor follows the Langmuir isotherm. The quantum parameters of the inhibitor were conducted using the density functional theory and electron localized function analysis. In addition, the illustration of the adsorption of PER on Fe (111) surface was achieved through Monte Carlo study.

Keywords: Ammodaucus leucotrichus; Computational method; Corrosion inhibition; Electrochemical methods; Mild steel; Perillaldehyde

Full paper is available at

DOI: 10.1007/s11696-020-01353-5


Chemical Papers 75 (3) 1103–1114 (2021)

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