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Öğe Advanced evaluation of novel quinoline derivatives for corrosion inhibition of mild steel in acidic environments: A comprehensive electrochemical, computational, and surface study(Elsevier, 2024) Belkheiri, Azzeddine; Dahmani, Khadija; Mzioud, Khaoula; Rbaa, Mohamed; Galai, Mouhsine; Hmada, Abdelfettah; Erdogan, SabanCorrosion poses a significant threat to the integrity and longevity of iron and its alloys, which are crucial materials for modern industry and infrastructure. This study investigates the effectiveness of two recently synthesized inhibitors based on quinoline structures: MPQ (2-methyl-5-(propoxymethyl) quinolin-8-ol) and AAQ ((((2aminoethyl)amino)methyl)-2-methylquinolin-8-ol) in protecting steel against environmental degradation, particularly in acidic and chloride-rich conditions such as hydrochloric acid. The inhibitors exhibited significant corrosion inhibition efficiencies of 92.37 % for MPQ and 84.13 % for AAQ, as demonstrated through electrochemical analysis. Surface characterization techniques, including SEM-EDX(Scanning Electron Microscopy with Energy Dispersive X-ray analysis), AFM (Atomic Force Microscopy), and contact angle measurements, revealed the formation of a protective barrier film that reduces the corrosion rate. Additionally, theoretical calculations using the Gaussian package provided insights into the adsorption behaviors and protective mechanisms of the inhibitors on mild steel surfaces. The findings contribute to the ongoing search for viable corrosion inhibitors, offering prospects for application in industries and critical infrastructures to enhance corrosion protection and durability.Öğe Anticorrosion properties of the epoxy polymer TGETBAU for mild steel in a solution of HCl (1.0 M): Experimental and computational approaches(Elsevier, 2023) Ech-chebab, Adil; Dahmani, Khadija; Hsissou, Rachid; El Khouja, Outman; Verma, Dakeshwar Kumar; Berdimurodov, Elyor; Erdogan, SabanAssessment of epoxy polymer (TGETBAU) performance, in inhibiting of mild steel (M-S) in HCl(1.0 M) from corrosion via potentiodynamic polarization (PDP) and electrochemical impedance spectroscopy (EIS). In addition, density functional of theory (DFT) calculation and molecular dynamic (MD) simulation were used to investigate the TGETBAU molecule effect on the inhibition of corrosion and to describe epoxy polymer adsorption on the surface of M-S. Electrochemical measurements revealed that the highest inhibitory efficiency is 93% measured at 303 K using 2.0 g/L of TGETBAU. Corrosion of M-S via TGETBAU was inhibited by a Langmuir adsorption mechanism. The theoretical computations are in accordance with the laboratory results. Moreover; the M-S is protected in HCl (1.0 M), as confirmed by both scanning electron microscopy (SEM), and X ray diffraction (XRD) analysis.Öğe Cationic resin polymer A®IRC-50 as an effective adsorbent for the removal of Cr(III), Cu(II), and Ag(I) from aqueous solutions: A kinetic, mathematical, thermodynamic and modeling study(Elsevier, 2023) Bensalah, Jaouad; Ouaddari, Hanae; Erdogan, Saban; Tuzun, Burak; Gaafar, Abdel-Rhman Z.; Nafidi, Hiba-Allah; Bourhia, MohammedAdsorption has emerged as a reliable and cost-effective method for the depollution of wastewater containing multivalent heavy metals. However, there is still a need to optimize the process to achieve better efficacy. Consequently, This study focuses on the adsorption of three different metal ions, namely Cr (III), Cu (II), and Ag (I), using a cationic resin polymer called A (R) IRC-50 as the organic adsorbent. The high adsorption capacity of this polymeric material was investigated concerning various physicochemical parameters, including the dose of the cationic adsorbent, contact time, initial pH of the metallic solution, concentration of multivalent metals, and temperature (from 25 C-degrees to 55 C-degrees). The characterization of the adsorbent was performed using GTA/GTD, SEM spectroscopy, and EDX analysis. The kinetics of the adsorption phenomenally were evaluated exploited pseudo1st-order and pseudo-2(sec)-order models. The maximum amount of adsorption of the different metals studied are estimated at 171.33 mg.g(- 1) of the Cu(II), 90.16 mg.g(- 1) of the Cr(III) and 87.55 mg.g(- 1) of the Ag(I) at m = 0.1 g. The adsorption mechanism was determined by employing isothermal adsorption models such as Langmuir, Freundlich, and Temkin. The experimental results present demonstrated that the adsorption kinetics of the metals on the cationic polymer A (R) IRC-50 resin followed the pseudo-second-order model(100 mg.g(- 1) of Cr(III), 166.67 mg.g(- 1) of Cu(II) and 100 mg.g(- 1) of Ag(I)). The adsorption isotherms of the multivalent metal cations by the cationic polymeric A (R) IRC-50 resin were well-described by the Freundlich model, and the maximum capacities of the adsorption process were determined using the Freundlich isothermal model equation. The adsorption of multivalent heavy metals on the artificial polymer was found to be spontaneous and endothermic. The obtained Delta H values (46.85 Kj.mol(- 1), 31.61 Kj.mol(- 1) and 35.50 Kj.mol(-1) of the various metals Cr(III), Cu(II) and Ag(I) respectively), suggest that the interactions between the cationic polymer A (R) IRC-50 resin and the multivalent heavy metals are primarily physical. Finally, various thermodynamic technics between three metals study indicate as well Delta G(degrees) (-0.83 at -5.64 kJ. mol(- 1)) that the adsorption is impetuous and endothermic.Öğe A computational study on corrosion inhibition performances of novel quinoline derivatives against the corrosion of iron(ELSEVIER SCIENCE BV, 2017) Erdogan, Saban; Safi, Zaki S.; Kaya, Savas; Isin, Dilara Ozbakir; Guo, Lei; Kaya, CemalIn this computational study, the adsorption and corrosion inhibition properties of some novel quinoline derivatives namely, 2-amino-7-hydroxy-4-phenyl-1,4-dihydroquinoline-3-carbonitrile (Q1), 2-amino-7-hydroxy-4-(p-toly1)-1,4-dihydroquinoline-3-carbonitrile (Q2), 2-amino-7-hydroxy-4-(4-methoxypheny1)-1,4-dihydroquinoline-3-carbonitrile) (Q3) and 2-amino-4-(4-(dimethylamino)pheny1)-7-hydroxy-1,4-dihydroquinoline-3-carbonitrile (Q4) on the corrosion of iron were investigated using quantum chemical and molecular dynamics simulation approaches. Quantum chemical calculations section of the study provides enough calculation and discussion on the relationship between corrosion inhibition and global reactivity descriptors such as E-HOMO, E-LUMO, HOMO-LUMO energy gap (Delta E), chemical hardness (eta), softness (sigma), electronegativity (chi), chemical potential (mu), electrophilicity (omega), nucleophilicity (epsilon), electrons transferred from inhibitors to metal surface (Delta N), initial molecule-metal interaction energy (Delta Psi), total electronic energy (E), the energy change during electronic back-donation process (Delta Eb-d). The adsorption behaviors of studied compounds on Fe (110) surface were investigated with the help of molecular dynamics simulation approach. The binding energies calculated on Fe (110) surface of mentioned quinoline derivatives followed the order: Q4 > Q3 > Q2 > Q1. It should be noted that the results obtained in the study are in good agreement with experimental inhibition efficiency results earlier reported. (C) 2017 Elsevier B.V. All rights reserved.Öğe Experimental and MDS studies of corrosion inhibition of carbon steel by saccharinate sodium(ELSEVIER SCIENCE BV, 2018) El Jaouhari, Abdelhadi; Kaya, Savas; Ben Jadi, Sana; Aouzal, Zaynab; Bouabdellaoui, Mimouna; Bazzaoui, El Arbi; Erdogan, Saban; Bazzaoui, MohammedThis work describes the successful performance of saccharinate molecule as an ecological corrosion inhibitor for carbon steel in 3% NaCl solution. A combination of experimental results such as (XPS, Raman, OCP, EIS, and potentiodynamic polarization) and other theoretical (DFT and molecular dynamic simulation) show that saccharinate ions provide very acceptable protection against corrosion of carbon steel. The behavior of carbon steel in the presence of different concentrations of saccharinate shows the high protective effect of this inhibitor against the corrosion of steel. These inhibitors act as mixed inhibitors with a stronger effect on the anodic side.
