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    Electrochemical, Characterization, and Quantum Chemical Studies of Two Newly Synthesized Aromatic Aldehydes-Based Xanthene Diones as Corrosion Inhibitors for Mild Steel in 1 M Hydrochloric Acid
    (Springer Science and Business Media Deutschland GmbH, 2023) Galai, M.; Touhami, M. Ebn; Oubaaqa, M.; Dahmani, K.; Ouakki, M.; Khattabi, M.; Benzekri, Z.
    The inhibiting effect of two newly synthesized inhibitors, namely 3,3,6,6-tetramethyl-9-phenyl-3,4,6,7-tetrahydro-2H-xanthenes-1,8(5H,9H)-dione (ZM-1) and 9-(4-Bromophenyl)-3,3,6,6-tetramethyl-3,4,5,6,7,9-hexahydro-2H-xanthene-1,8-dine (ZM-2) on mild steel (MS) corrosion in 1 M HCl solution has been examined. For this purpose, Electrochemical Impedance Spectroscopy (EIS) and Potentiodynamic Polarization measurements (PP) have been carried out. Furthermore, theoretical chemistry concepts have been used to calculate and analyze the molecule’s quantum parameters. This has been accomplished using Density Functional Theory (DFT). Molecular Dynamic Simulation has been used to interpret the inhibiting action mode. It has been perceived that the increase of inhibitor concentration managed to significant corrosion rate reduction of MS in 1 M HCl, with inhibitive efficiency values reaching, respectively, 84% and 87% at 10?3 M inhibitor concentrations of ZM-1 and ZM-2. The inhibition efficiency is augmented with an inhibitor concentration increase. Temperature influence on the corrosion behavior of MS in 1 M HCl at the inhibitor’s optimal concentration of 10?3 M was studied in the range of temperature 298–328 K. Polarization plots showed that ZM-1 and ZM-2 acted as mixed-type inhibitors. The adsorption mechanism of the studied inhibitors was consistent with the Langmuir isotherm model. The corroded surface has also been analyzed by SEM/EDX; AFM, contact angle, and XRD techniques. © 2023, The Author(s), under exclusive licence to Springer Nature Switzerland AG.
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    Insights into corrosion inhibition mechanism of mild steel in 1 M HCl solution by quinoxaline derivatives: electrochemical, SEM/EDAX, UV-visible, FT-IR and theoretical approaches
    (Elsevier, 2021) Ouakki, M.; Galai, M.; Benzekri, Z.; Verma, Chandrabhan; Ech-chihbi, E.; Kaya, S.; Boukhris, S.
    Three quinoxaline-based heterocycles namely, 6-methyl-2,3-diphenyl-quinoxaline (Q-CH3), 6-nitro-2,3-diphenylquinoxaline (Q-NO2) and 2,3-diphenylquinoxaline (Q-H) were evaluated as inhibitor for mild steel (MS) in 1 M HCl. Inhibition effectiveness of the Q-H, Q-CH3 and Q-NO2 tested using different computational simulations and experimental methods. Results showed that inhibition effectiveness of Q-H, Q-CH3 and Q-NO2 increases with their concentration. Polarization results showed that Q-H, Q-CH3 and Q-NO2 displayed anodic-type behaviour. Inhibition efficiencies of Q-H, Q-CH3 and Q-NO2 followed the order: 87.6% (Q-NO2) < 90.2% (Q-CH3)< 92.4% (Q-H) for Q-CH3. Presence of both electron withdrawing (-NO2) and donating (-CH3) substituents decrease the inhibition efficiency as compared to the parent compound however in decrease in protection power is more prominent in the presence of -NO2 substituent. Q-H, Q-CH3 and Q-NO2 inhibit corrosion by adsorbing on MS surface and their adsorption mode followed Langmuir adsorption isotherm. Adsorption of Q-H, Q-CH3 and Q-NO2 on metallic surface reinforced with SEM-EDS and UV-visible studies of MS surfaces. Interaction mechanism of QH, Q-CH3 and Q-NO(2 )with MS surface and their mode of adsorption was studies using DFT and MD (MD) simulations, respectively. Negative sign of adsorption energies (E-ads) for Q-H, Q-CH3 and Q-NO2 suggested that they adsorb spontaneously over MS surface.
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    New Xanthene Diones Compounds as a Corrosion Inhibitor of Mild Steel in Acid Medium: Electrochemical, Surface Characterization and Theoretical Insights
    (Springernature, 2023) Dahmani, K.; Galai, Mouhsine; Ouakki, M.; Benzekri, Z.; El Magri, A.; Iachhab, R.; Kaya, S.
    Two newly synthesized inhibitors, namely 3,3,6,6-tetramethyl-9-phenyl-3,4,6,7-tetrahydro-2H-xanthenes-1,8 (5H,9H)-dione (ZM-3) and 9-(4-Bromophenyl)-3,3,6,6-tetramethl-3,4,5,6,7,9-hexahydro-2H-xanthene-1,8-dine (ZM-4) have been reported in the current study as a promising corrosion inhibitors of mild steel (MS) in 1 M HCl solution. Electrochemical experiments such as Electrochemical Impedance Spectroscopy (EIS) and Potentiodynamic Polarization measurements (PP) were performed for this aim. The quantum properties of the molecules were also calculated and analyzed using theoretical chemistry principles. Density Functional Theory was used in order to achieve this (DFT). The inhibitory action mechanism was discovered using Molecular Dynamic Simulation (MDS). The increase of the inhibitor concentration was thought to have resulted in a considerable reduction in MS corrosion rate in molar hydrochloric acid solution, with inhibitive efficiency values of 90.8 and 91.3% at 10(-3) M inhibitor concentrations of ZM-3 and ZM-4, respectively. As the inhibitor concentration was increased, the inhibition effectiveness improved. Using temperatures ranging from 298 to 328 K, the effect of temperature on the corrosion behavior of MS in molar HCl at the inhibitor's optimum concentration of 10(-3) was investigated. ZM-3 and ZM-4 behaved as mixed type inhibitors, according to polarization plots. The Langmuir isotherm model fit the adsorption mechanism of the evaluated inhibitors. Scanning Electron Microscopy with Energy Dispersive X-Ray Analysis (SEM/EDX), Atomic force microscopy (AFM), contact angle, and X-ray Powder Diffraction (XRD) methods were used to examine the corroded surface.