Understanding Corrosion Inhibition of C38 Steel in HCl Media by Omeprazole: Insights for Experimental and Computational

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TECHNICAL ARTICLE—PEER-REVIEWED

Understanding Corrosion Inhibition of C38 Steel in HCl Media by Omeprazole: Insights for Experimental and Computational Studies Kouri Hossam . Fatima Bouhlal . Lina Hermouche . Imane Merimi . Houda Labjar . Abdelkarim Chaouiki . Najoua Labjar . Serghini-Idrissi Malika . Abdelouahed Dahrouch . Mohamed Chellouli . Belkheir Hammouti . Souad El Hajjaji Submitted: 3 September 2020 / in revised form: 27 September 2020 / Accepted: 28 September 2020  ASM International 2020

Abstract The influence of omeprazole on C38 steel corrosion in HCl solutions (1, 3, 5 M) was evaluated by weight loss and electrochemical techniques. Densityfunctional theory (DFT) and molecular dynamic (MD) simulations were also used. The weight loss experiment shows that the maximum inhibition efficiency achieved a value of 98.36% in the presence of 5 9 103 M of omeprazole in molar HCl. Polarization measurements revealed that the inhibitor acted as a mixed type. Impedance spectroscopy measurements illustrated that the resistance to charge transfer increased with the addition of

K. Hossam  F. Bouhlal  N. Labjar (&) Laboratory of Molecular Spectroscopy Modeling, Materials, Nanomaterials, Water and Environment, CERNE2D, ENSET, Mohammed V University in Rabat, Rabat, Morocco e-mail: [email protected]; [email protected] L. Hermouche  H. Labjar  S.-I. Malika  S. El Hajjaji Laboratory of Molecular Spectroscopy Modeling, Materials, Nanomaterials, Water and Environment, CERNE2D, Faculty of Sciences, Mohammed V University in Rabat, Rabat, Morocco I. Merimi  B. Hammouti Laboratory of Applied Analytical Chemistry, Materials and Environment, Faculty of Science, University Mohammed First, Oujda, Morocco A. Chaouiki Laboratory of Applied Chemistry and Environment, ENSA, University Ibn Zohr, PO Box 1136, Agadir, Morocco A. Dahrouch Institut de Criminalistique de la Gendarmerie Royale, Rabat, Morocco M. Chellouli Laboratory of Materials, Electrochemistry and Environment, Faculty of Sciences, University Ibn Tofail, Kenitra, Morocco

omeprazole concentration in 1, 3 and 5 M of HCl. The SEM micrographs demonstrated applicable protection of the C38 surface after the addition of 5 9 103 M of omeprazole for all three studied HCl test solutions. The DFT and MD simulations were used to explain the effect of the molecular structure on the corrosion inhibition efficiency and to simulate the adsorption of omeprazole on C38 surface. The corrosion rates were related to generalized pH expressed by Strehlow acidity function. Keywords C38 steel  Corrosion inhibition  Drugs  Omeprazole  HCl media  Weight loss measurements  Electrochemical techniques

Introduction Hydrochloric acid is commonly used in the metallurgical industry to remove rust deposits and to clean boilers and heat exchangers. However, the high aggressivity of this acid leads to corrosion of steel especially C38 steel. For this, organic inhibitors are added to reduce the acidic attack on the substrate metal and to control the corrosion rate [1–3]. Recently, th