Adsorption and Corrosion Inhibition Effect of 2-Mercaptobenzimidazole (Surfactant) on a Carbon Steel Surface in an Acidic Medium: Experimental and Monte Carlo Simulations

Hajjaji, F. El; Belghiti, M.E.; Hammouti, B.; Jodeh, Shehdeh; Hamed, Othman; Lgaz, Hassane; Salghi, R.

doi:10.4152/pea.201803197

Cited by 56 publications

(15 citation statements)

References 27 publications

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“…Indeed, several azoles derivatives have been reported to be effective as corrosion inhibitors for steel and copper in acidic media [11][12][13]18]. In our laboratory, many azole derivatives such as pyrazole [14][15][16] and Benzimidazole [17] compounds have been recently studied as corrosion inhibitors for mild steel in hydrochloric acid, and have been shown a good inhibition properties, This paper aimed to evaluate the corrosion inhibitive activity of three newly synthesized phenyl oxazol substituted compounds namely, (4-ethyl-2-phenyl-4,5-dihydro-1,3-oxazol-4-yl)methanol (C1); 4-{[(4-ethyl-2-phenyl-4,5-dihydro-1,3-oxazol-4-yl)methoxy]methyl} benzene-1-sulfonate (C2) and 4 -[(azidoxy)methyl]-4-ethyl-2-phenyl-4,5-dihydro-1,3-oxazole (C3) ( Figure 1) on mild steel in 1 M HCl solution, using gravimetric study, potentiodynamic polarization, and electrochemical impedance spectroscopy. Quantum chemical calculations were performed in order to ascertain any correlation between inhibition efficiencies and structure of oxazole derivatives.…”

Section: Introductionmentioning

confidence: 94%

Experimental, quantum chemical studies of oxazole derivatives as corrosion inhibitors on mild steel in molar hydrochloric acid medium

2018

Int. J. Corros. Scale Inhib.

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The corrosion inhibition performances of (4-ethyl-2-phenyl-4,5-dihydro-1,3-oxazol-4-yl)methanol (C1); 4-{[(4-ethyl-2-phenyl-4,5-dihydro-1,3-oxazol-4-yl)methoxy]methyl}benzene-1-sulfonate (C2) and 4-[(azidoxy)methyl]-4-ethyl-2-phenyl-4,5-dihydro-1,3oxazole (C3) mild steel in molar hydrochloric solution have been evaluated by using gravimetric, electrochemical impedance spectroscopy (EIS) and potentiodynamic polarization techniques as well as quantum chemical calculations. Results obtained reveal that these compounds reduce significantly the corrosion rate of mild steel, their inhibition efficiencies increased with inhibitor concentration. This behavior means that the inhibitive effect of the studied oxazole derivatives occur through the adsorption of inhibitor molecules on the metal surface. Polarization curves reveal that both compounds C1 and C3 act essentially as mixed type inhibitors with cathodic predominance effect, while the compound C2 can be classified as cathodic type inhibitor. EIS spectra obtained show a typical Nyquist plot with single semicircles shifted along the real impedance of x-axis. Impedance data are analyzed in term of the simple modified Randles equivalent circuit with one relaxation time constant. Indeed, a Constant phase element, CPE, is introduced in the circuit instead of a pure double layer capacitor in order to take into account the electrode surface heterogeneity. Adsorption of these inhibitors on the mild steel surface was found to obey the Langmuir adsorption isotherm. Some thermodynamic parameters were calculated and discussed. The correlation between inhibition efficiency and molecular structure of oxazole derivatives was theoretically studied via quantum chemical calculations using density functional theory (DFT) at B3LYP/6-31G (d,p). Results showed a general correlation between the computed descriptors and the experimental data.

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Section: Introductionmentioning

confidence: 94%

Experimental, quantum chemical studies of oxazole derivatives as corrosion inhibitors on mild steel in molar hydrochloric acid medium

2018

Int. J. Corros. Scale Inhib.

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“…∆G 0 ads = −RTIn(55.5K ads ) (7) where R is the gas constant, T is the temperature in K, and the 55.5 value represents the concentration of water in the solution. Obtained values of ∆G 0 ads are shown in Table 2.…”

Section: Adsorption Isotherm and Standard Adsorption Free Energymentioning

confidence: 99%

“…The coordination sites include multiple bonds and heteroatoms such as sulfur, oxygen and nitrogen. These inhibitors prevent corrosion by blocking the active corrosion sites mainly by complexing to the metal surface and forming a protective layer [6][7][8]. A strong interaction between the metal surface and the protective layer leads to a more stable and less protective layer.…”

Section: Introductionmentioning

confidence: 99%

Corrosion Resistance of Mild Steel Coated with Orgainc Material Containing Pyrazol Moiety

et al. 2018

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Pyridine (P1) and benzoic acid (P2) derivatives with pyrazole moieties were synthesized and evaluated as corrosion inhibitors for mild steel in acidic medium. The evaluation was performed by electrochemical impedance spectroscopy (EIS), potentiodynamic polarization, and weight loss measurement. The surface morphologies of the control and steel samples coated with the pyrazole derivatives P1 and P2 were examined by the scanning electron microscopy (SEM), UV-Vis, and X-ray photoelectron spectrocopy (XPS) spectroscopies. Results revealed minor changes on steel surfaces before and after immersion in a 1 M HCl solution. Both derivatives, P1 and P2, showed good inhibition efficiency that is dependent on inhibitor concentration. Both P1 and P2 act as mixed-type inhibitors. The benzoic acid derivative (P2) showed a higher efficiency than P1, which could be attributed to the carboxyl group that is located at the para position to the amino group. This induces a direct electronic resonance between the two groups, the amino and the carboxyl. As a result of this, a higher electron density on the carboxyl group and a stronger bonding to the metal surface occurred. Results also show that, the bonding of both pyrazoles on mild steel surface obey Langmuir adsorption isotherm. Quantum chemical calculations were performed to theoretically define the relationship between the molecular structures and inhibition efficiencies of P1 and P2.

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“…Different MMBI concentrations and temperatures were considered, and the best efficiency of 93% was reached at 10 −4 M as optimum concentration. Electrochemical methods with Monte Carlo simulations have been applied by El‐Hajjaji to inspect the using of 1‐decyl‐2‐(decylthio)‐benzimidazole (T2) as mild steel corrosion inhibitor in 1‐M HCl. They explored the inhibitory mechanism of T2 by the potential of zero charge ( E pzc ) measurement at the solution/metal interface.…”

Section: Introductionmentioning

confidence: 99%

Experimental and theoretical evaluation of two benzimidazole derivatives for steel corrosion protection in HCl

Zafari

Sarabi

Movassagh

2019

Asia-Pacific J Chem Eng

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The introduction of two new benzimidazole derivatives, 2-nonyl-1H-benzo [d] imidazole (NB) and 2-benzyl-1-hexyl-1H-benzo [d]imidazole (HB), as corrosion inhibitors for steel is presented, and their activities are compared with 1Hbenzo[d]imidazole (B). The experimental performance of these molecules was evaluated by electrochemical techniques, surface observations, and contact angle measurement. The results showed the prominent action with inhibition efficiencies of 98.8% and 99.3% for 3 mM of NB and HB, respectively, at 303K. They are adsorbed on the metal surface base on Langmuir isotherm. It is noteworthy to note that increment of environment acidity causes more efficiency for both molecules so that the order of inhibitive activity in different pHs is pH = 2>pH = 1>pH = 0.1. Additionally, HB provides little better protection than NB. Statistical analysis was conducted to identify influential factors on the efficiency of HB and NB. A general factorial model in the main effect order was used by design of experiment 7 software. Analysis of variance resulted in acceptable R 2 values of 99% and 98% and significance of the applied model. Quantum chemical calculations were carried out to find the optimum structure, molecular parameters, and local reactive sites in gas and solution phase. Calculations exhibited a planar structure for 1-hexyl-1H-benzo[d]imidazole and 2-nonyl-1H-benzo [d]imidazole that is the reason of their high efficiencies.

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Adsorption and Corrosion Inhibition Effect of 2-Mercaptobenzimidazole (Surfactant) on a Carbon Steel Surface in an Acidic Medium: Experimental and Monte Carlo Simulations

Cited by 56 publications

References 27 publications

Experimental, quantum chemical studies of oxazole derivatives as corrosion inhibitors on mild steel in molar hydrochloric acid medium

Experimental, quantum chemical studies of oxazole derivatives as corrosion inhibitors on mild steel in molar hydrochloric acid medium

Corrosion Resistance of Mild Steel Coated with Orgainc Material Containing Pyrazol Moiety

Experimental and theoretical evaluation of two benzimidazole derivatives for steel corrosion protection in HCl

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