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5,5-Diphenyl-2-Thioxoimidazolidin-4-One Methodological Mechanism To Corrosion Inhibition For Mild Steel Dissolution In Hcl: Dfts, Molecular Dynamics And Experimental Procedures

Author

Listed:
  • R. NABAH

    (Laboratory of Separation Processes, Faculty of Science, University IbnTofail PO Box 242, Kenitra, Morocco†Laboratory of Matériaux, Electrochimie and Environnement, Faculty of Science, University IbnTofail PO Box 242, Kenitra, Morocco)

  • F. BENHIBA

    (Laboratory of Separation Processes, Faculty of Science, University IbnTofail PO Box 242, Kenitra, Morocco)

  • T. LAABAISSI

    (Laboratory of Separation Processes, Faculty of Science, University IbnTofail PO Box 242, Kenitra, Morocco)

  • H. ZARROK

    (Laboratory of Separation Processes, Faculty of Science, University IbnTofail PO Box 242, Kenitra, Morocco)

  • M. CHERKAOUI

    (#x2020;Laboratory of Matériaux, Electrochimie and Environnement, Faculty of Science, University IbnTofail PO Box 242, Kenitra, Morocco)

  • H. OUDDA

    (Laboratory of Separation Processes, Faculty of Science, University IbnTofail PO Box 242, Kenitra, Morocco)

  • Y. RAMLI

    (#x2021;Laboratory of Medicinal Chemistry, Faculty of Medicine and Pharmacy, Mohammed V University, Rabat, 10170 Rabat, Morocco)

  • I. WARAD

    (#xA7;Department of Chemistry and Earth Sciences, PO Box 2713, Qatar University, Doha, Qatar)

  • A. ZARROUK

    (#xB6;Laboratory of Materials, Nanotechnology and Environment, Faculty of Sciences, Mohammed V University, Av. Ibn Battouta, PO Box 1014, Agdal-Rabat, Morocco)

Abstract

Continuing to study the inhibition of corrosion, 5,5-diphenyl-2-thioxoimidazolidin-4-one (PTI) has been tested as a corrosion inhibitor for mild steel (MS) in an aggressive 1 M HCl solution by chemical and electrochemical techniques: weight loss, potentiodynamic polarization (PDP), electrochemical impedance spectroscopy (EIS), scanning electron microscopy (SEM) and energy-dispersive X-ray (EDX) analysis, UV-Visible. Inhibitory efficacy increases with increasing inhibitor concentration and decreases with increasing temperature. The studied inhibitor is more efficient (99.2%) at 298 K at an optimal concentration of 1mM. The PDP study revealed that PTI behaved as mixed type of inhibitor. In addition, the PTI inhibitor obeys the single layer adsorption isotherm of Langmuir. The quantum chemical calculations, molecular dynamic (MD) simulation studies fairly well agreed with the experimental measurements.

Suggested Citation

  • R. Nabah & F. Benhiba & T. Laabaissi & H. Zarrok & M. Cherkaoui & H. Oudda & Y. Ramli & I. Warad & A. Zarrouk, 2020. "5,5-Diphenyl-2-Thioxoimidazolidin-4-One Methodological Mechanism To Corrosion Inhibition For Mild Steel Dissolution In Hcl: Dfts, Molecular Dynamics And Experimental Procedures," Surface Review and Letters (SRL), World Scientific Publishing Co. Pte. Ltd., vol. 27(11), pages 1-17, November.
    • Handle: RePEc:wsi:srlxxx:v:27:y:2020:i:11:n:s0218625x20500055
    DOI: 10.1142/S0218625X20500055
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