Corrosion inhibition potential of 2-[(5-methylpyrazol-3-yl)methyl]benzimidazole against carbon steel corrosion in 1 M HCl solution: Combining experimental and theoretical studies

Karim Chkirate; Karim Azgaou; Hicham Elmsellem; Brahim El Ibrahimi; Nada Kheira Sebbar; El Hassane Anouar; Mohammed Benmessaoud; Souad El Hajjaji; El Mokhtar Essassi

doi:10.1016/j.molliq.2020.114750

Corrosion inhibition potential of 2-[(5-methylpyrazol-3-yl)methyl]benzimidazole against carbon steel corrosion in 1 M HCl solution: Combining experimental and theoretical studies

Karim Chkirate, Karim Azgaou, Hicham Elmsellem, Brahim El Ibrahimi, Nada Kheira Sebbar, El Hassane Anouar, Mohammed Benmessaoud, Souad El Hajjaji, El Mokhtar Essassi

Chemistry

Research output: Contribution to journal › Article › peer-review

125 Scopus citations

Abstract

The bi-heterocyclic system, namely 2-[(5-methylpyrazol-3-yl) methyl] benzimidazole (MPMB) has been synthesized and characterized by ¹H and ¹³C NMR methods. Its inhibitory property for carbon steel (C38) in 1 M HCl solution has been investigated using electrochemical impedance spectroscopy, potentiodynamic polarization, and weight loss measurements at 293 K. Besides, DFT/B3LYP-based calculations and Monte Carlo simulations are used under the solvation condition. The inhibition efficiency increases with the inhibitor concentration and attains a maximum value of 97.0% at 5 mM. The polarization curves show that the examined compound act as a mixed type inhibitor. The increase of temperature induces a decrease in the inhibition efficiency of the studied compound. Also, the adsorption of this compound obeyed the Langmuir adsorption isotherm. The carbon steel surface examination confirmed the presence of a protective adsorbed film of MPMB on the surface. According to the computational results, MPMB in its neutral and protonated forms exhibited an accurate affinity to adsorb onto the metal surface, which leads to the formation of a protective film.

Original language	English
Article number	114750
Journal	Journal of Molecular Liquids
Volume	321
DOIs	https://doi.org/10.1016/j.molliq.2020.114750
State	Published - 1 Jan 2021

Keywords

Benzimidazole
Carbon steel
Corrosion inhibition
DFT
Hydrogen bond
Monte Carlo
Synthesis

Access to Document

10.1016/j.molliq.2020.114750

Cite this

Chkirate, K., Azgaou, K., Elmsellem, H., El Ibrahimi, B., Sebbar, N. K., Anouar, E. H., Benmessaoud, M., El Hajjaji, S., & Essassi, E. M. (2021). Corrosion inhibition potential of 2-[(5-methylpyrazol-3-yl)methyl]benzimidazole against carbon steel corrosion in 1 M HCl solution: Combining experimental and theoretical studies. Journal of Molecular Liquids, 321, Article 114750. https://doi.org/10.1016/j.molliq.2020.114750

@article{62508e91a4954ebf94df422f215421b8,

title = "Corrosion inhibition potential of 2-[(5-methylpyrazol-3-yl)methyl]benzimidazole against carbon steel corrosion in 1 M HCl solution: Combining experimental and theoretical studies",

abstract = "The bi-heterocyclic system, namely 2-[(5-methylpyrazol-3-yl) methyl] benzimidazole (MPMB) has been synthesized and characterized by 1H and 13C NMR methods. Its inhibitory property for carbon steel (C38) in 1 M HCl solution has been investigated using electrochemical impedance spectroscopy, potentiodynamic polarization, and weight loss measurements at 293 K. Besides, DFT/B3LYP-based calculations and Monte Carlo simulations are used under the solvation condition. The inhibition efficiency increases with the inhibitor concentration and attains a maximum value of 97.0\% at 5 mM. The polarization curves show that the examined compound act as a mixed type inhibitor. The increase of temperature induces a decrease in the inhibition efficiency of the studied compound. Also, the adsorption of this compound obeyed the Langmuir adsorption isotherm. The carbon steel surface examination confirmed the presence of a protective adsorbed film of MPMB on the surface. According to the computational results, MPMB in its neutral and protonated forms exhibited an accurate affinity to adsorb onto the metal surface, which leads to the formation of a protective film.",

keywords = "Benzimidazole, Carbon steel, Corrosion inhibition, DFT, Hydrogen bond, Monte Carlo, Synthesis",

author = "Karim Chkirate and Karim Azgaou and Hicham Elmsellem and \{El Ibrahimi\}, Brahim and Sebbar, \{Nada Kheira\} and Anouar, \{El Hassane\} and Mohammed Benmessaoud and \{El Hajjaji\}, Souad and Essassi, \{El Mokhtar\}",

note = "Publisher Copyright: {\textcopyright} 2020 Elsevier B.V.",

year = "2021",

month = jan,

day = "1",

doi = "10.1016/j.molliq.2020.114750",

language = "English",

volume = "321",

journal = "Journal of Molecular Liquids",

issn = "0167-7322",

publisher = "Elsevier B.V.",

}

Chkirate, K, Azgaou, K, Elmsellem, H, El Ibrahimi, B, Sebbar, NK, Anouar, EH, Benmessaoud, M, El Hajjaji, S & Essassi, EM 2021, 'Corrosion inhibition potential of 2-[(5-methylpyrazol-3-yl)methyl]benzimidazole against carbon steel corrosion in 1 M HCl solution: Combining experimental and theoretical studies', Journal of Molecular Liquids, vol. 321, 114750. https://doi.org/10.1016/j.molliq.2020.114750

Corrosion inhibition potential of 2-[(5-methylpyrazol-3-yl)methyl]benzimidazole against carbon steel corrosion in 1 M HCl solution: Combining experimental and theoretical studies. / Chkirate, Karim; Azgaou, Karim; Elmsellem, Hicham et al.
In: Journal of Molecular Liquids, Vol. 321, 114750, 01.01.2021.

Research output: Contribution to journal › Article › peer-review

TY - JOUR

T1 - Corrosion inhibition potential of 2-[(5-methylpyrazol-3-yl)methyl]benzimidazole against carbon steel corrosion in 1 M HCl solution

T2 - Combining experimental and theoretical studies

AU - Chkirate, Karim

AU - Azgaou, Karim

AU - Elmsellem, Hicham

AU - El Ibrahimi, Brahim

AU - Sebbar, Nada Kheira

AU - Anouar, El Hassane

AU - Benmessaoud, Mohammed

AU - El Hajjaji, Souad

AU - Essassi, El Mokhtar

PY - 2021/1/1

Y1 - 2021/1/1

N2 - The bi-heterocyclic system, namely 2-[(5-methylpyrazol-3-yl) methyl] benzimidazole (MPMB) has been synthesized and characterized by 1H and 13C NMR methods. Its inhibitory property for carbon steel (C38) in 1 M HCl solution has been investigated using electrochemical impedance spectroscopy, potentiodynamic polarization, and weight loss measurements at 293 K. Besides, DFT/B3LYP-based calculations and Monte Carlo simulations are used under the solvation condition. The inhibition efficiency increases with the inhibitor concentration and attains a maximum value of 97.0% at 5 mM. The polarization curves show that the examined compound act as a mixed type inhibitor. The increase of temperature induces a decrease in the inhibition efficiency of the studied compound. Also, the adsorption of this compound obeyed the Langmuir adsorption isotherm. The carbon steel surface examination confirmed the presence of a protective adsorbed film of MPMB on the surface. According to the computational results, MPMB in its neutral and protonated forms exhibited an accurate affinity to adsorb onto the metal surface, which leads to the formation of a protective film.

AB - The bi-heterocyclic system, namely 2-[(5-methylpyrazol-3-yl) methyl] benzimidazole (MPMB) has been synthesized and characterized by 1H and 13C NMR methods. Its inhibitory property for carbon steel (C38) in 1 M HCl solution has been investigated using electrochemical impedance spectroscopy, potentiodynamic polarization, and weight loss measurements at 293 K. Besides, DFT/B3LYP-based calculations and Monte Carlo simulations are used under the solvation condition. The inhibition efficiency increases with the inhibitor concentration and attains a maximum value of 97.0% at 5 mM. The polarization curves show that the examined compound act as a mixed type inhibitor. The increase of temperature induces a decrease in the inhibition efficiency of the studied compound. Also, the adsorption of this compound obeyed the Langmuir adsorption isotherm. The carbon steel surface examination confirmed the presence of a protective adsorbed film of MPMB on the surface. According to the computational results, MPMB in its neutral and protonated forms exhibited an accurate affinity to adsorb onto the metal surface, which leads to the formation of a protective film.

KW - Benzimidazole

KW - Carbon steel

KW - Corrosion inhibition

KW - DFT

KW - Hydrogen bond

KW - Monte Carlo

KW - Synthesis

UR - http://www.scopus.com/inward/record.url?scp=85096373131&partnerID=8YFLogxK

U2 - 10.1016/j.molliq.2020.114750

DO - 10.1016/j.molliq.2020.114750

M3 - Article

AN - SCOPUS:85096373131

SN - 0167-7322

VL - 321

JO - Journal of Molecular Liquids

JF - Journal of Molecular Liquids

M1 - 114750

ER -

Corrosion inhibition potential of 2-[(5-methylpyrazol-3-yl)methyl]benzimidazole against carbon steel corrosion in 1 M HCl solution: Combining experimental and theoretical studies

Abstract

Keywords

Access to Document

Other files and links

Fingerprint

Cite this