Yazar "Ouakki, M." seçeneğine göre listele
Listeleniyor 1 - 7 / 7
Sayfa Başına Sonuç
Sıralama seçenekleri
Öğe Anti-corrosion Properties of 2-Phenyl-4(3H)-quinazolinone-Substituted Compounds: Electrochemical, Quantum Chemical, Monte Carlo, and Molecular Dynamic Simulation Investigation(Springer, 2020) Kacimi, Y. El; Touir, R.; Alaoui, K.; Kaya, S.; Abousalem, A. Salem; Ouakki, M.; Touhami, M. EbnIn this investigation, attempts have been made to study the corrosion inhibition properties of three new 2-phenyl-4(3H)-quinazolinone-substituted compounds for mild steel in 1.0 M hydrochloric acid medium. The evaluation was carried out using mass loss, electrochemical impedance spectroscopy, and polarization curves measurement. It is shown that 2-phenyl-4(3H)-quinazolinone-substituted compounds are very good inhibitor’s for mild steel corrosion in 1.0 M hydrochloric acid medium, which acts as mixed-type inhibitors. So, the inhibition efficiency was increased with inhibitor concentration in the order Q-p-Cl > Q-m-Cl > Q-H, which depends on their molecular structures and the chloride para/metapositions. Electrochemical impedance spectroscopy has shown that all compounds act by the formation of a protective film at the metal surface. The correspondence between inhibition property and molecular structure of the 2-phenyl-4(3H)-quinazolinone-substituted compounds is investigated, using density functional theory (DFT). The effect of molecular structure on the inhibition efficiency has been explored by quantum chemical computations and obvious correlations were observed. The binding energies of tested compounds on Fe(110) surfaces were calculated using molecular dynamics simulation. Experimental and DFT study was further supported by molecular dynamic (MD) simulations study. © 2020, Springer Nature Switzerland AG.Öğe 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.Öğe Functionalization effect on the corrosion inhibition of novel eco-friendly compounds based on 8-hydroxyquinoline derivatives: Experimental, theoretical and surface treatment(Elsevier, 2021) Galai, M.; Rbaa, M.; Ouakki, M.; Dahmani, K.; Kaya, S.; Arrousse, N.; Dkhireche, N.The present study has investigated the functional effect of modifying a simple function (-NH2) that correspond to a heterocycle (Benzodiazepine), acquired through two similar reactions, on the inhibition of mild steel corrosion (m-steel) in hydrochloric medium (1.0 M HCl). [5-((2-aminobutoxy) methyl)-quinolin-8-ol (Q-2) and 7-chloro-2,2,4-trimethyl-2,3 dihydro-1H benzo[b][1,4]diazepin-1-yl)methyl)quinolin-8-ol (Q-1)] were synthesized by two environmentally friendly reactions and characterized using Proton nuclear magnetic resonance (1H NMR) and Carbon nuclear magnetic resonance (13C NMR) spectroscopy. The inhibitory action of both organic compounds was evaluated by numerous techniques that have been already described in the literature (electrochemical impedance spectroscopy (EIS) and Potentiodynamic Polarization (PDP)).The inhibition efficiency increased with the increasing inhibitor concentration to 92.8% and91.1 % for Q-1 and Q-2 respectively at 10-3 M. The submerged surface of steel has been identified by scanning electron microscopy coupled with Energy Dispersive X-Ray Spectroscopy (SEM/EDS), Infrared spectroscopy (FT-IR), atomic force microscopy (AFM) spectroscopy and Contact angle measurements (theta). The corrosive solutions after corrosion tests have been identified by UV-visible spectrometry (UV-vis) and Inductively Coupled Plasma Emission Spectroscopy analysis (ICP-OES). The experimental studies PDP and EIS were completed by the theoretical studies Density-functional theory (DFT) and Monte Carlo (MC) simulation). Experimental data have shown that the studied additives Q-1 and Q-2 are effective against the corrosion acid of m-steel. In addition, their adsorption onto steel surface follow Langmuir adsorption isotherm.Öğe 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.Öğe 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.Öğe Quantum chemical and molecular dynamic simulation studies for the identification of the extracted cinnamon essential oil constituent responsible for copper corrosion inhibition in acidified 3.0 wt% NaCl medium(Elsevier, Şubat 2021) Dahmani, K.; Galai, M.; Ouakki, M.; Cherkaoui M.; Touir, R.; Erkan, Sultan; Kaya, Savaş; El Ibrahimi, B.The influence of the extracted cinnamon essential oil (CiO) on the copper corrosion resistance in acidified 3.0 wt% NaCl (pH = 2) medium was investigated by using electrochemical measurements and Scanning Electron Microscopy (SEM) with Energy Dispersive X-Ray Analysis (EDS). So, in order to identify the component of CiO responsible for corrosion inhibition of copper in corrosive solution, the density functional theory (DFT) calculations and molecular dynamics simulation were used. Potentiodynamic polarization showed that the tested natural product acts as cathodic-type inhibitor. Electrochemical impedance spectroscopy indicated that the inhibition efficiency increases with CiO concentrations to get up a maximum value of 89% at 200 ppm. In addition, SEM/EDS analysis in the presence of 200 ppm CiO indicated that copper surface was exempt for all corrosion products, confirming its offered protection. Finally, the major calculated quantum chemical descriptors obtained from DFT calculations indicated that the anticorrosion efficiency responsibility attributes to P8 and P46, with the predominance of P8. In the same, the molecular dynamics simulation indicated that the adsorption energy follows the order: P5 (-61.071 kJ mol−1) > P46 (-58.070 kJ mol−1) > P8 (-42.938 kJ mol−1) on Cu (1 1 1) and P8 (-21.220 kJ mol−1) > P46 (-20.066 kJ mol−1) > P5 (-19.591 kJ mol−1) on CuO2 (1 1 0), suggesting a strong adsorption of P8 on oxide copper (1 1 0) surface and consequently therefore the performance of extracted CiO can be attributed to P8, which is parallel to the copper (1 1 1) surface contrary to other molecules P46 and P5.Öğe Synthesis of new halogenated compounds based on 8-hydroxyquinoline derivatives for the inhibition of acid corrosion: Theoretical and experimental investigations(Elsevier, 2022) Rbaa, M.; Galai, M.; Ouakki, M.; Hsissou, R.; Berisha, A.; Kaya, Savas; Berdimurodov, ElyorIn the present work, a new 8-hydroxyquinoline substituted with bromine (Q-C4Br) and chlorine (Q-C4Cl) was first synthesized and introduced as a powerful corrosion inhibitor for carbon steel in 1.0 M HCl. These compounds were obtained in high yield, and their structures were characterized by infrared (IR) spectroscopy, NMR spectroscopy (C-13, H-1) and elemental analysis (EA). The anti-corrosion properties of Q-C4Br and Q-C4Cl were tested by experimental [mass loss (ML), potentiodynamic polarization (PDP) and electrochemical impedance spectroscopy (EIS)] and theoretical [density functional theory (DFT), Monte Carlo simulations (MC) and molecular dynamic simulations (MD] methods. Inductively coupled plasma mass spectrometry-optical emission spectrometry (ICP-OES) and UV-visible spectroscopy (UV-vis) were used to identify the corrosion and inhibition processes in solutions. The surface morphology of the steel surface after corrosion and inhibition processes was investigated by AFM, EDS, SEM and FT-IR spectroscopy. It is found that these compounds are ideal corrosion inhibitors for steel, and Q-C4Cl was a better inhibitor than Q-C4Br. The inhibition behavior, chelation characteristics, donor-acceptor effects and coordination bonding properties of the 8-hydroxyquinoline ring were enhanced by the Br and Cl modifications. The obtained results may be useful for creating the next generation of corrosion inhibitors based on aromatic compounds in future research works.
