Experimental and computational studies of perillaldehyde isolated from Ammodaucus leucotrichus essential oil as a green
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ORIGINAL PAPER
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 Manssouri1 · Mohamed Znini1 · Zouhair Lakbaibi1 · Abdeslam Ansari1 · Yassir El Ouadi2 Received: 10 June 2020 / Accepted: 10 September 2020 © Institute of Chemistry, Slovak Academy of Sciences 2020
Abstract 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
Introduction Due to its wide use in industry and engineering, mild steel (MS) has a strong tendency to corrode by aggressive acids such as sulfuric and hydrochloric acids, mainly during the pickling process of metals (Xhanari et al. 2017; Oguzie et al. 2007). Therefore, tremendous efforts are being made to block or at least lower limit the attack of this metal in numerous corrosive media. Actually, the application of corrosion inhibitors is a better technique to prevent corrosion of metal surfaces (Tasić et al. 2019). Almost all inhibitors of corrosion are synthetic organic compounds Almost all corrosion inhibitors are synthetic organic compounds, however, * Mohamed Znini [email protected]; [email protected] 1
Laboratory of Natural Substances & Synthesis and Molecular Modeling, Faculty of Sciences and Techniques, Moulay Ismail University of Meknes, BP 509, 52000 Errachidia, Morocco
Laboratory of Analytical Chemistry, Materials, and Environment (LC2AME), Faculty of Sciences, University of Mohammed Premier, B.P. 717, 60000 Oujda, Morocco
2
due to their high cost, toxicity and dangerous effects, the search for green alternatives that are environmentally ecokindly nature and nontoxic to ensure human security is currently interesting (Benarioua et al. 2019; Faska et al. 2018). Hence, a great deal of research has been carried out to study the inhibitive effect of several plant extracts and their main components on the corrosion of steel in 1 M HCl (Ansari et al. 2014; Manssouri et al. 2014, 2015, 2020; Znini et al. 2019; Abdeslam et al. 2020). Indeed, the good corrosion inhibit
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