4-phenyl-decahydro-1H-1,5-benzodiazepin-2-one as novel and effective corrosion inhibitor for carbon steel in 1 M HCl solution: A combined experimental and empirical studies |
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| Institution: | 1. Laboratory of Heterocyclic Organic Chemistry, Department of Chemistry, Faculty of Sciences, Mohammed V University in Rabat, BP, 1014, Rabat, Morocco;2. Laboratory of Materials, Nanotechnology and Environment, Faculty of Sciences, Mohammed V University in Rabat, P.O. Box. 1014, Rabat, Morocco;3. Laboratory of Organic Chemistry, Inorganic, Electrochemistry, and Environment, Department of Chemistry, Faculty of Sciences, Ibn Tofaïl University, PO Box 133, 14000, Kenitra, Morocco;4. Laboratory of Advanced Materials and Process Engineering, Faculty of Sciences, Ibn Tofail University, P.O. Box. 133, 14000, Kenitra, Morocco;5. Laboratory of Chemistry and Environment, Applied Bioorganic Chemistry Team, Faculty of Sciences, Ibn Zohr University, Agadir, Morocco;6. Department of Chemistry, AN-Najah National University, P.O. Box 7, Nablus, Palestine;7. Univ. Lille, CNRS, INRAE, Centrale Lille, UMR 8207, UMET - Unité Matériaux et Transformations, F-59000, Lille, France;8. Chemistry Department, College of Science, King Saud University, Riyadh, 1145, Saudi Arabia |
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| Abstract: | The heterocyclic system, namely 4-phenyl-decahydro-1H-1,5-benzodiazepin-2-one (POBZ) was inspected as a corrosion inhibitor of carbon steel (CS) in a 1 M HCl medium through electrochemical impedance spectroscopy (EIS), potentiodynamic polarization measurements (PDP), and scanning electron microscopy (SEM). The experimental data indicate that the inhibiting action augments with augmenting POBZ amount and reduces with augmenting temperature. The inhibiting action efficiency of 90.98% is obtained with 0.001 M at 303 K. The potentiodynamic polarization (PDP) results mentioned that the POBZ is of mixed type. The adsorption of POBZ on the CS followed Langmuir isotherm. SEM exams affirmed that the steel surface is smooth in presence of POBZ. In light of the calculations of density functional theory (DFT) and molecular dynamics simulation, the mechanism of POBZ inhibitory activity was addressed. |
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| Keywords: | Benzodiazepine Carbon steel corrosion Electrochemical measurements SEM/DFT Molecular dynamics simulation |
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