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    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. Ebn
    In 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.
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    Corrosion inhibition studies for mild steel in 5.0 M HCl by substituted phenyltetrazole
    (SPRINGER HEIDELBERG, 2017) El Kacimi, Y.; Azaroual, M. A.; Touir, R.; Galai, M.; Alaoui, K.; Sfaira, M.; Touhami, M. Ebn; Kaya, S.
    The inhibition efficiency of three substituted phenyltetrazole compounds, namely 5-(4-chlorophenyl)-1H-tetrazole (Cl-PT), 5-(4-methoxyphenyl)-1H-tetrazole (MO-PT), and 5-phenyl-1H-tetrazole (PT), for mild steel corrosion in 5.0 M HCl solution was investigated using weight loss measurements and electrochemical study. It is showed that these compounds are good inhibitors for mild steel corrosion in 5.0 M HCl solution which act as cathodic type inhibitors. So, the inhibition efficiency was increased with inhibitor concentration in the order of Cl-PT > MO-PT > PT which depended on their molecular structures. It is found also that these compounds toke its performance at different temperatures range from 298 to 328 K. In addition, the thermodynamic adsorption parameters at different concentrations were investigated and discussed. Finally, it is seen that the inhibition efficiency of the studied compounds increased with immersion time to reach a maximum at 12 h.
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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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    Experimental and theoretical studies for mild steel corrosion inhibition in 1.0 M HCl by three new quinoxalinone derivatives
    (ELSEVIER SCIENCE BV, 2016) Tazouti, A.; Galai, M.; Touir, R.; Touhami, M. Ebn; Zarrouk, A.; Ramli, Y.; Saracoglu, M.; Kaya, S.; Kandemirli, F.; Kaya, C.
    Three quinoxalinone derivatives, namely (E)-3-styrylquinoxalin-2(1H)-one (SQ), (E)-3-(4methoxystyryl)quinoxalin-2(1H)-one (MOSQ) and (E)-3-(4-methoxystyry1)-7-methylquinoxalin-2(1H)-one (MOSMQ) were synthesized and characterized. Thus, their inhibition effects on mild steel corrosion in 1.0 M HCl medium were investigated using weight loss method, electrochemical measurements. The effect of temperature on the corrosion behavior of mild steel was studied in the range of 298-328 K. Polarization measurements indicated that, the studied compounds act as a mixed type inhibitors, the inhibition efficiency depends on their concentrations and followed the order MOSQ> MOSMQ> SQ Electrochemical impedance spectroscopy showed that all compounds act by the formation of a protective film at the metallic surface. The adsorption of three inhibitors on steel surface obeyed Langmuir model, thus the thermodynamic and kinetic parameters were calculated and discussed. In the part based on DFF calculations of this study, some electronic properties of studied molecules were calculated and discussed with the help of B3LYP/6-311G (d,p), B3LYP/6-311 ++G (d,p) and B3LYP/6-311G ++ (2d,2p) methods. The theoretical and experimental results are in good agreement. (C) 2016 Elsevier B.V. All rights.reserved.
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    Tyrosine as a novel potential stabilizer in an electroless Ni-P bath exempt of trisodium citrate as complexing agent: Chemical baths optimization and comparative study
    (Elsevier, 2022) Driouch, M.; Haloui, El; El Assiri, El H.; Achnine, N.; Sfaira, M.; Touhami, M. Ebn; Kaya, S.
    The effect of tyrosine (C9H11NO3) as a new stabilizing agent on the composition and conditions of the electroless plating bath of the Ni-P alloy was studied. A comparative study with trisodium citrate, which is commonly used, as a stabilizing complexing agent revealed the effect of tyrosine in this study. Scanning electron microscopy (SEM) and X-Ray Energy Dispersion (EDX) are used to study the properties of the Ni-P coating deposit developed in the presence of tyrosine and trisodium citrate. The result of this optimization showed that the use of tyrosine causes the concentration of NiSO4 and CH3COONH4 in the bath to decrease to 67% and 85%, respectively. In contrast, the use of trisodium citrate had no effect neither on the composition nor on the effect of the bath conditions of the deposit. In addition, the use of C9H11NO3 as a stabilizing agent in the bath promotes the increase of the phosphorus content more than trisodium citrate when optimizing the accelerating agent in the bath and therefore changes the structure of the Ni-P deposits developed.