Some diazepinone analogs as corrosion inhibitors for carbon steel in a hydrochloric acid medium: An integrated theoretical and practical study

Jrajri, K.; Faydy, M. El; Benhiba, F.; Garadi, Wedad Al; Ghayati, Lhoussaine El; Sebbar, Nada Kheira; Essassi, El Mokhtar; Saranya, J.; Warad, Ismail; Bellaouchou, A.; Zarrouk, A.

doi:10.1016/j.mtcomm.2023.106673

Cited by 5 publications

(2 citation statements)

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“…Recent studies have explored benzodiazepines, benzimidazoles, benzoxazepines, triazoles, quinoxalines, and quinolines as potential corrosion inhibitors, demonstrating their efficacy in safeguarding metal surfaces in diverse environments. [10][11][12][13][14] Due to their unique adsorption characteristics, the use of inhibitors for corrosion prevention has proven effective. In the study of corrosion, inhibitors, predominantly organic, have been extensively researched.…”

Section: Introductionmentioning

confidence: 99%

“…Among the most frequently employed methods to mitigate steel corrosion under various conditions is heterocyclic organic compounds. Recent studies have explored benzodiazepines, benzimidazoles, benzoxazepines, triazoles, quinoxalines, and quinolines as potential corrosion inhibitors, demonstrating their efficacy in safeguarding metal surfaces in diverse environments [10–14] . Due to their unique adsorption characteristics, the use of inhibitors for corrosion prevention has proven effective.…”

Section: Introductionmentioning

confidence: 99%

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Enhancing Corrosion Resistance of Mild Steel in 1M HCl: Investigation of New Benzoxazepine Derivatives Through Synthesis, Electrochemical Analysis, Surface Analysis, XPS, DFT, and Molecular Dynamics Simulation

Kharbouch,

Dahmani,

Errahmany

et al. 2024

ChemistrySelect

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This research delineates the corrosion inhibitory efficiency of two newly synthesized benzoxazepine derivatives – [3,3‐dimethyl‐11‐phenyl‐3,4,5,11‐tetrahydrodibenzo[b,e] [1,4]oxazepine‐1(2 H)‐one (S1)] and [11‐(4‐chlorophenyl)‐3,3‐dimethyl‐3,4,5,11‐tetrahydrodibenzo[b,e][1,4]oxazepine‐1(2 H)‐one (S2)] – on mild steel in 1M HCl milieu. These derivatives were characterized by proton (1H NMR) and carbon (13C NMR) nuclear magnetic resonance spectroscopy. The experimental approach encompassed potentiodynamic polarization (PDP) and electrochemical impedance spectroscopy (EIS) techniques. The corrosion inhibition efficacy of S1 and S2 was concentration‐dependent, with their efficiencies peaking at 92.0 % and 92.1 %, respectively, at a 10−3 M concentration. Surface characterization, conducted using scanning electron microscopy (SEM), energy‐dispersive X‐ray analysis (EDS), X‐ray diffraction (XRD), contact angle measurements, and X‐ray photoelectron spectroscopy (XPS), corroborated the formation of a protective barrier layer on the mild steel surface. Additionally, using an inductive approach, UV‐visible spectrometry was employed to elucidate the adsorption behaviors of these inhibitors on the steel surface. Density functional theory (DFT) and molecular dynamics (MD) simulations were utilized to decipher the interaction mechanisms and adsorption modalities, unveiling critical insights into the interactions of S1 and S2 with the mild steel surface. This comprehensive analysis highlights the robust corrosion inhibition potential of the newly synthesized benzoxazepine derivatives and illuminates their prospective utility as effective inhibitors for mild steel in corrosive environments.

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Section: Introductionmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

Enhancing Corrosion Resistance of Mild Steel in 1M HCl: Investigation of New Benzoxazepine Derivatives Through Synthesis, Electrochemical Analysis, Surface Analysis, XPS, DFT, and Molecular Dynamics Simulation

Kharbouch,

Dahmani,

Errahmany

et al. 2024

ChemistrySelect

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A multianalytical approach to benzodiazepine derivatives for the corrosion protection of mild steel in HCl solutions: Electrochemical analysis, SEM/EDX, XPS, DFT, and MDS calculations

Kharbouch,

Dahmani,

Saber

et al. 2024

Asia-Pacific J Chem Eng

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This study takes a detailed look at the corrosion inhibition capabilities of two benzodiazepine‐derived organic compounds, 3,3‐dimethyl‐11‐(4‐nitrophenyl)‐2,3,4,5,10,11‐hexahydro‐1H‐dibenzo[b,e][1,4]diazepin‐1‐one (PNO) and 3,3‐dimethyl‐11‐(2‐nitrophenyl)‐2,3,4,5,10,11‐hexahydro‐1H‐dibenzo[b,e][1,4]diazepin‐1‐one (ONO), in a 1.0‐M hydrochloric acid environment using a variety of analytical methods, including electrochemical approaches — electrochemical impedance spectroscopy (EIS) and potentio‐dynamic polarization (PDP). The results show that the concentration‐dependent inhibitory efficacy of PNO and ONO increases with increasing concentration. Both inhibitors exhibit mixed‐type behaviour, which is confirmed by the polarization results. At the optimum concentration, the inhibition efficiencies of PNO and ONO are 92.9% (PNO) and 87.6% (ONO), respectively. The effective adsorption of these inhibitors on the metal surface was also confirmed by X‐ray photoelectron spectroscopy (XPS) analysis. The existence of a barrier layer surrounding the mild steel was demonstrated using scanning electron microscopy (SEM) and energy‐dispersive X‐ray analysis (EDX), all of which were used to study the surface characterization. The most important interactions with the iron surface are achieved by inhibitors with electron‐accepting properties, according to density functional theory results and molecular dynamic simulation (MDS). With encouraging prospects for industry and metal preservation, these results pave the way for promising applications for effective corrosion protection in a 1.0‐M HCl environment.

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Corrosion Resistance of Two Newly Synthesized 8-Quinolinol-Benzimidazoles on Carbon Steel: An Experimental and Theoretical Investigation

Faydy,

Benhiba,

Alfakeer

et al. 2023

J. of Materi Eng and Perform

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Some diazepinone analogs as corrosion inhibitors for carbon steel in a hydrochloric acid medium: An integrated theoretical and practical study

Cited by 5 publications

References 59 publications

Enhancing Corrosion Resistance of Mild Steel in 1M HCl: Investigation of New Benzoxazepine Derivatives Through Synthesis, Electrochemical Analysis, Surface Analysis, XPS, DFT, and Molecular Dynamics Simulation

Enhancing Corrosion Resistance of Mild Steel in 1M HCl: Investigation of New Benzoxazepine Derivatives Through Synthesis, Electrochemical Analysis, Surface Analysis, XPS, DFT, and Molecular Dynamics Simulation

A multianalytical approach to benzodiazepine derivatives for the corrosion protection of mild steel in HCl solutions: Electrochemical analysis, SEM/EDX, XPS, DFT, and MDS calculations

Corrosion Resistance of Two Newly Synthesized 8-Quinolinol-Benzimidazoles on Carbon Steel: An Experimental and Theoretical Investigation

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