Monte Carlo simulation and electrochemical performance corrosion inhibition whid benzimidazole derivative for XC48 steel in 0.5 M H2SO4 and 1.0 M HCl solutions

Toukal, Linda; Foudia, M.; Haffar, Djahida; Aliouane, Nabila; Al-Noaimi, Mousa; Bellal, Youcef; Elmsellem, H.; Abdеl-Rahman, І.

doi:10.1016/j.jics.2022.100634

Cited by 27 publications

(1 citation statement)

References 51 publications

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“…Additionally, benzimidazole derivatives also play an important role in cancer treatment [9,10]. Benzimidazole derivatives featuring heteroatoms such as sulfur, nitrogen, and oxygen have emerged as some of the most widely employed corrosion inhibitors for various aggressive environments, particularly as effective coatings [11][12][13]. Benzimidazolone derivatives have a wide range of potential applications, including pharmaceuticals, inhibitors, herbicides, pigments, and fine chemicals [14].…”

Section: Introductionmentioning

confidence: 99%

Exploring the Efficacy of Benzimidazolone Derivative as Corrosion Inhibitors for Copper in a 3.5 wt.% NaCl Solution: A Comprehensive Experimental and Theoretical Investigation

Adardour,

Lasri,

Ait Lahcen

et al. 2023

Molecules

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This study focuses on the synthesis, theoretical analysis, and application of the corrosion inhibitor known as benzimidazolone, specifically 1-(cyclohex-1-enyl)-1,3-dihydro-2H-benzimiazol-2-one (CHBI). The structure of CHBI was determined by X-ray diffraction (XRD). The inhibitory properties of CHBI were investigated in a 3.5 wt.% NaCl solution on pure copper using various electrochemical techniques such as potentiodynamic polarization curves (PDPs) and electrochemical impedance spectroscopy (EIS), as well as scanning electron microscopy with energy dispersive X-ray spectroscopy (SEM-EDX), UV-visible spectroscopy, and theoretical calculations. The obtained results indicate that CHBI is an excellent inhibitor, exhibiting remarkable effectiveness with an inhibition rate of 86.49% at 10−3 M. To further confirm the extent of adsorption of the inhibitory molecule on the copper surface, density functional theory (DFT) and Monte Carlo (MC) simulation studies were conducted. The results of this study demonstrate the synthesis and characterization of CHBI as a corrosion inhibitor. The experimental and theoretical analyses provide valuable insights into the inhibitory performance of CHBI, indicating its strong adsorption on the copper surface.

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