((E)-1-((4-Fluorophenyl)diazenyl)naphthalen-2-ol as an innovative and efficient corrosion inhibitor for carbon steel in 1 M HCl solution: Electrochemical analysis coupled with electronic/atomic-scale computational simulations

• E.H. Akroujai¹, S. Chetioui^2,3, N. Benzbiria⁴, A. Barrahi⁵, A. Chraka⁶, A. Djedouani^7,8, S. Chtita⁹, S. Lazar¹⁰, I. Warad¹¹, A. Bellaouchou⁵, M. Assouag¹ and A. Zarrouk⁵

¹ Team of Innovative Materials and Mechanical Manufacturing Processes, ENSAM, University Moulay Ismail, B.P. 15290, Al Mansour, Meknes, Morocco
² Unité de Recherche de Chimie de l’Environnement et Moléculaire Structurale, (CHEMS), Faculté des Sciences Exactes, Département de Chimie, Université des Frères Mentouri, Constantine 1, Constantine 25000, Algérie
³ Faculté de Technologie, Université Mohamed Boudiaf M’sila, Algérie
⁴ Laboratory of Interface Materials and Environment, Faculty of Sciences Ain Chock, Hassan II University, B.P. 5366 Maârif, Casablanca, Morocco
⁵ Laboratory of Materials, Nanotechnology, and Environment, Faculty of Sciences, Mohammed V University in Rabat, Morocco, PO. Box. 1014, Rabat, Morocco
⁶ Materials and Interfacial Systems Laboratory, ERESI Team, Department of Chemistry, Faculty of Sciences, Abdelmalek Essaâdi University, Morocco
⁷ Laboratoire de Physicochimie Analytique et Cristallochimie des Matériaux Organométalliques et Biomoléculaires, Université Constantine 1, 25000, Algérie
⁸ Ecole Normale Supérieure de Constantine, Université Constantine 3, 25000, Algérie
⁹ Laboratory of Analytical and Molecular Chemistry, Faculty of Sciences Ben M’Sik, Hassan II University of Casablanca, Morocco
¹⁰ Laboratoire de Biochimie, Environnement & Agroalimentaire, URAC 36, Faculté des Sciences et techniques de Mohammedia Université Hassan II-Casablanca, Mohammedia, Morocco
¹¹ Department of Chemistry, AN-Najah National University, P.O. Box 7, Nablus, Palestine

Abstract: In the current paper, potentiodynamic polarization (PDP), electrochemical impedance spectroscopy (EIS) were employed to evaluate (E)-1-((4-fluorophenyl)diazenyl)naphthalen-2-ol (E4FN) ability to operate as carbon steel (CS) corrosion inhibitor in molar HCl acid. Data derived from PDP plots reveal that E4FN has a mixed-type nature. EIS outcomes show that increasing E4FN concentration lead to 20 times increment of polarization resistance (Rp) and alters the double layer capacitance (C_dl) from 116.2 to 54 μF·cm^–2. The addition of 10^–3 M of E4FN into the solution exhibit a maximal inhibition efficacy of 94.8%. The thermodynamic activation descriptors were also assessed as a function of E4FN concentration. The adsorption of the inhibitory molecule on CS substrate obey to Langmuir isotherm. To confirm the adsorption phenomenon, scanning electron microscopy (SEM) coupled to energy dispersive X-ray spectroscopy (EDS) and UV-Visible methods were used. Overall, the findings reveal that E4FN compound enables to obtain an adequate prevented surface and mitigate the corrosion rate. Finally, the theoretical studies based on quantum chemical analysis (i.e. density functional theory (DFT)) and Monte Carlo simulation were also performed for understanding the adsorption mechanism of E4FN onto Fe-surface.

Keywords: azo function, corrosion, HCl, inhibitor, electrochemical methods, SEM/EDS, UV-Visible, DFT, Monte Carlo simulations

Int. J. Corros. Scale Inhib., 2023, 12, no. 3, 1102-1135
doi: 10.17675/2305-6894-2023-12-3-18

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