Novel saccharin derivatives are inhibitors for carbon steel corrosion in 1 M HCl: electrochemical, thermodynamic and theoretical assessment

• B. Ould abdelwedoud¹, K. Tassaoui¹, A. Chraka², M. Damej¹, A. Berisha^3,4, H. Tachallait^5,6, K. Bougrin^5,6, V. Mehmeti^3,4 and M. Benmessaoud¹

¹ Energy, Materials and Sustainable Development Team, Higher School of Technology Salé, Mohammed V University in Rabat 8007, Morocco
² Materials and Interfacial Systems Laboratory, ERESI Team, Department of Chemistry, Faculty of Sciences, Abdelmalek Essaâdi University,Tetouan, Morocco
³ Departments of Chemistry, Faculty of Natural and Mathematics Science, University of Prishtina, 10000 Prishtina, Kosovo
⁴ Materials Science-Nanochemistry Research Group, Nano Alb-Unit of Albanian Nanoscience and Nanotechnology, 1000 Tirana, Albania
⁵ Laboratory of Plant Chemistry and Organic and Bioorganic Synthesis, URAC23, Faculty of Science, Geophysics, Natural Patrimony and Green Chemistry (GEOPAC) Research Center, Mohammed V University in Rabat, PO Box 1014, 10000, Rabat, Morocco
⁶ Chemical & Biochemical Sciences Green-Process Engineering (CBS-GPE), Mohammed VI Polytechnic University, Lot 660, Hay Moulay Rachid, Benguerir, Morocco

Abstract: In this study, computational and experimental approaches were used to assess the anti-corrosive performance of two new saccharin derivatives, N-benzoyl saccharin (NBS) and N-allyl saccharin (NAS), for carbon steel corrosion in 1 M HCl. The electrochemical outcomes (potentiodynamic polarization (PDP)/electrochemical impedance spectroscopy (EIS)) revealed that NAS had a higher protection efficiency with an i_corr value of 85.07 (μA/cm²) and a charge transfer resistance (R_ct) value of 200.43 (Ω·cm²) than NBS, which had an i_corr value of 108.59 (μA/cm²) and an R_ct value of 149.8 (Ω·cm²). Furthermore, our inhibitors demonstrated strong inhibitory effects in the reduction of hydrogen evolution, and the inhibition efficiency at 1 mM followed the order: NAS ((PDP (90.27%) and EIS (90.60%))>NBS ((PDP (87.58%) and EIS (87.42%)). Furthermore, surface morphology studies (SEM/EDX) definitely verified the formation of protective layers as a result of the adsorption of the investigated inhibitors onto the metal surface. DFT (Density functional theory) study demonstrated that NBS and NAS interact with the metallic surface via donor-acceptor interactions, with electron-rich centers acting as the most favorable locations for the interactions. The adsorption of the NBS and NAS molecules on the metal surface is demonstrated using MC (Monte Carlo), and MD (Molecular dynamic) simulations. Different experimental and computational research agree well.

Keywords: saccharin derivatives, anti-corrosive, carbon steel, SEM/EDX, DFT, MC/MD

Int. J. Corros. Scale Inhib., 2023, 12, no. 4, 1819-1848
doi: 10.17675/2305-6894-2023-12-4-22

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