Abstract Two quinoxalinone derivatives, namely 3- (p-tolyl)-3.4-dihydroquinoxalin-2-(1H)-one (Q1) and 3-(4-chlorophenyl)-4-methyl-3.4-dihydroquinoxalin-2-(1H)-one (Q2), were used and investigated as potential corrosion inhibitors for OS in a 1 M HCl solution, at C from 10-6 to 10-3 M, using PDP, EIS measurements and GQCD calculations. EIS results indicate that Q1 and Q2 IE(%) increased with higher C and reached maximum values of 86.2 and 92.5%, at 10-3 M, respectively. The inhibitors adsorption mechanism onto the OS surface was found to obey the Langmuir’s adsorption isotherm model. PDP data displayed that Q1 and Q2 acted as mixed inhibitors, predominantly of the cathodic type. The theoretical results showed that the obtained parameters were in good agreement with the experimental data. Q2 compound had better IE(%), due to the inductive effect of CH3 electro-donor group in dihydroquinoxaline position.

Abstract In the present work the influence of the two organic inhibitors, namely : phenyl (2- (3,4,5 trimethoxyphenyl) -1H-benzo [d] imidazol-1-yl) methanone (P3) and ( 2- (4 -methoxyphenyl) -1H-benzo [d] imidazol-1-yl) (phenyl) methanone (P4) on the ordinary steel corrosion in 5.0 M HCl solution was investigated by using electrochemical measurements, scanning electron spectroscopy (SEM) coupled with Energy Dispersive Spectroscopy (EDX), UV-visible spectroscopy and theoretical study. The obtained results showed that these compounds act as mixed inhibitors. It is obtained that the inhibition efficiency increases with their concentrations and reaches 97.0% and 91.3% at 10−3 M of P3 and P4, respectively. These findings were confirmed by the electrochemical impedance spectroscopy measurements, where the transfer resistance values increase with the concentrations. In addition, the effect of temperature range from 298 K to 328 K was investigated and indicated that P3 and P4 keep their performance at height temperature. Moreover, density functional theory explained the relationship between the molecular structure of imidazole derivatives and inhibition performance obtained experimentally. Additionally, the morphological surface and EDX analyses indicated that these compounds act by the formation of a protective layer on the ordinary steel surface. In order to confirm the possibility of the formation of P3-Fe and P4-Fe complexes, the UV–Visible absorption spectra was used. The obtained results indicated the formation of a complex between Fe2+ and molecules inhibitors.

Abstract Carbon steel corrosion inhibition in a hydrochloric acid solution by 2-((5-methyl-isoxazol-3-yl)-methyl)-benzimidazole (MMB) has been studied by electrochemical techniques (PDP and EIS). Results showed that the inhibition efficiency increases with higher MMB concentration, and the maximum value of 86.6% was obtained at 10-3 M concentration. The prepared benzimidazole inhibitor showed higher inhibition efficiency upon raising the solution temperature from 303 to 333 K. Corrosion current density decreased from 660.9 µA cm-2 (blank) to 97.8 µA cm-2 (MMB) and charge transfer resistance increased from 20.2 Ω cm2 (blank) to 150.8 Ω cm2 (MMB). PDP studies showed that MMB is a mixed type inhibitor. The adsorption of this compound onto the carbon steel surface in a 1 M HCl solution followed the Langmuir adsorption isotherm, and the value of the standard free energy of adsorption () is associated to physisorption and chemisorption.

Abstract This work consists in applying and studying the new pentafunctional phosphoric polymeric architecture - pentaglycidyl ether pentaphenoxy phosphorus (PGEPPP) - on the behavior of its coating, in a marine environment. First, we applied the new macromolecular pentafunctional epoxide (PGEPPP) binder, crosslinked by methylene dianiline and formulated by a natural phosphate, to E24 carbon steel, in the presence of two formulations, F1 (PGEPPP/MDA) and F2 (PGEPPP/MDA/PN). Then, we have studied the behavior of the anticorrosive coating on the metal substrate, in 3.5% NaCl. Indeed, the gravimetric, stationary and transient electrochemical studies of the composite (PGEPPP/MDA/PN) are very interesting and reach maximum values which are equal to 94%, 95% and 91%, respectively. We then proceeded to the prediction of the quantum parameters of the new pentafunctional phosphorus epoxy resin; these parameters were calculated according to the method of the Theory of Functional Density (DFT), at the level of 6-311 G (d,p) basis sets. Finally, the results obtained by the Monte Carlo simulation are in very good agreement with the data of the DFT theory and with the experimental data.

New corrosion inhibitors of benzimidazole derivatives, namely: 6-methoxy-2-(((4-methoxy-3,5-dimethylpyridin-2-yl)methyl)sulfinyl)-1-vinyl-1H-benzo(d)imidazole (EMSB), 6-Methoxy-2-(((4-methoxy-3,5-dimethylpyridin-2-yl)methyl)) sulfinyl)-1-(prop-2-yn-1-yl)-1H benzimidazole (MSVB) and 6-methoxy-2-(((4-methoxy-3,5-dimethylpyridin-2-yl)methyl)sulfinyl)-1-(phenacyl)-1-H benzimidazole (MSBP), have been synthesized and their inhibiting action on the corrosion of carbon steel in acidic bath (1 M HCl) has been investigated by various corrosion monitoring techniques, such as weight loss measurement, potentiodynamic polarization, adsorption, electrochemical impedance spectroscopy (EIS) and basic computational calculations. The results of the investigation show that the inhibition efficiency of all the three inhibitors increases with increase in concentration of inhibitors and decreases with increase in temperature. The inhibitors, MSBP, MSVP, and EMSB show corrosion inhibition efficiency of 98, 97 and 93% respectively, at 10-3 M and 303 K. EIS measurements showed an increase of the transfer resistance with the inhibitors concentration. Polarization studies showed that the studied inhibitors are mixed type in nature and the adsorption of benzimidazole is described by the Langmuir isotherm. In addition, density functional theory (DFT) calculations and molecular dynamics simulations (MDS) were undertaken to describe the electronic and adsorption properties of the synthesized inhibitors constituents, including the synergistic/dispersive interactive effects of the multiple adsorptions of the various active constituents in the inhibitor film on the iron surface. Also DFT and Molecular dynamic (MD) simulations were employed to correlate the experimental findings.

The present study aimed to evaluate the inhibition effect of an organic compound, namely, (E)-N'-(2-hydroxybenzylidene)isonicotinohydrazide (BIH), for carbon steel corrosion in a 1.0 M HCl solution, by using weight loss (WL), potentiodynamic polarization (PDP) and electrochemical impedance spectroscopy (EIS). Results show that BIH is a good inhibitor, and the percentage of inhibition efficiency increases on its higher concentrations. The maximum inhibition efficiency of 94% was obtained at 5×10-3 M. Polarization studies revealed that the BIH compound acts as a mixed type inhibitor. EIS showed that increasing the concentration of the inhibitor led to an increase in the charge transfer resistance and a decrease in the double layer capacitance. It was found that the adsorption of this compound obeyed the Langmuir adsorption isotherm. The associated activation energies and thermodynamic parameters of the adsorption process were evaluated and discussed. The temperature effect was studied in the range from 303 to 333 K. In addition, quantum chemical calculations based on the density function theory (DFT) and Monte Carlo simulations were done to support the experimental results.

The corrosion inhibition of carbon steel in a 1.0 M HCl solution, using 4-amino-2-(4 chlorophenyl)-8-(2,3-dimethoxyphenyl)-6-oxo-2,6-dihydropyrimido [2,1b] [1,3] thiazine- 3,7-dicarbonitrile (ACMPT) was investigated by weight loss, potentiodynamic polarization, electrochemical impedance spectroscopy (EIS) and quantum chemical calculations. Polarization curves indicate that the studied compound was acting as a mixed inhibitor with predominant cathodic effectiveness. The inhibition efficiency decreased with an increased temperature, and the thermodynamic and activation parameters obtained from this study were discussed. The adsorption behavior of ACMT follows Langmuir's isotherm. In addition, Density Function Theory (DFT) calculations were performed on the studied molecule. The theoretical parameters obtained from this method are in good agreement with the experimental results.

The corrosion inhibitive effects of 2-(4-methylphenyl)-1,4-dihydroquinoxaline (Q1) on carbon steel surface in hydrochloric acid solution was studied using weight loss measurements, electrochemical impedance spectroscopy (EIS), Tafel polarization techniques and quantum chemical approach, using the density functional theory (DFT). Inhibition efficiency increased with increase in concentration of the inhibitor. The degree of surface coverage of the adsorbed inhibitor was determined by weight loss technique, and it was found that the results obeyed Langmuir adsorption isotherm. Tafel polarization data indicated that this inhibitor is of mixed type. EIS shows that charge- transfer resistance increases and the capacitance of double layer decreases with the inhibitor concentration, confirming the adsorption process mechanism. Trends in the calculated molecular properties (e.g., dipole moment, HOMO and LUMO energies) were compared with trends in the experimentally determined inhibition efficiency. The results show that trends in the quantum chemical descriptors are in agreement with the experimentally determined inhibition efficiencies.