4-phenyl-decahydro-1H-1,5-benzodiazepin-2-one as novel and effective corrosion inhibitor for carbon steel in 1 M HCl solution: A combined experimental and empirical studies

Garadi, Wedad Al; Jrajri, K.; Faydy, M. El; Benhiba, F.; Ghayati, Lhoussaine El; Sebbar, Nada Kheira; Essassi, El Mokhtar; Warad, Ismail; Guenbour, A.; Bellaouchou, A.; Jama, Charafeddine; Alsalme, Ali; Zarrouk, A.

doi:10.1016/j.jics.2022.100742

Cited by 18 publications

(3 citation statements)

References 64 publications

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“…Since we operated in the same settings, we were able to use the results that had already been published by our team for the effects of temperature and concentration using stationary and transient polarization techniques in the absence of an inhibitor. 32 2.4. Gravimetric Measurements.…”

Section: Electrochemical Apparatus and Measurementsmentioning

confidence: 99%

Adsorption and Inhibition Mechanisms of New Pyrazole Derivatives for Carbon Steel Corrosion in Hydrochloric Acid Solutions Based on Experimental, Computational, and Theoretical Calculations

Adlani,

Benzbiria,

Titi

et al. 2024

ACS Omega

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The study aims to synthesize two green pyrazole compounds, N-((1H-pyrazol-1yl)methyl)-4-nitroaniline (L4) and ethyl 5-methyl-1-(((4-nitrophenyl)amino)methyl)-1H-pyrazole-3-carboxylate (L6), and test their action as corrosion inhibitors for carbon steel (CS) in a 1 M HCl solution. Both chemical and electrochemical methods, namely, gravimetric measurements (WL), potentiodynamic polarization (PDP), and electrochemical impedance spectroscopy (EIS), were used to assess the efficiency of the investigated molecules. DFT calculations at B3LYP/6-31++G (d, p) and molecular dynamics simulation were used to carry out quantum chemical calculations in order to link their electronic characteristics with the findings of experiments. The organic products exhibited good anticorrosion ability, with maximum inhibition efficiencies (IE %) of 91.8 and 90.8% for 10 −3 M L6 and L4, respectively. In accordance with PDP outcomes, L6 and L4 inhibitors act as mixed-type inhibitors. Assessment of the temperature influence evinces that both L4 and L6 are chemisorbed on CS. The adsorption of L4 and L6 on CS appears to follow the Langmuir isotherm. Scanning electron microscopy and UV−visible disclose the constitution of a barrier layer, limiting the accessibility of corrosive species to the CS surface. Theoretical studies were performed to support the results derived from experimental techniques (WL, PDP, and EIS).

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Section: Electrochemical Apparatus and Measurementsmentioning

confidence: 99%

Adsorption and Inhibition Mechanisms of New Pyrazole Derivatives for Carbon Steel Corrosion in Hydrochloric Acid Solutions Based on Experimental, Computational, and Theoretical Calculations

Adlani,

Benzbiria,

Titi

et al. 2024

ACS Omega

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“…In the absence of TIMQ and CDIQ, we used the previously published results from our team for both the stationary and transitory techniques regarding the effect of the temperature and concentration. These experiments were conducted under similar circumstances [29].…”

Section: Electrochemical Analysismentioning

confidence: 99%

“…where E inh H is the energy HOMO of inhibitor and E Fe H = −7.9024 and E Fe L = −0.0151 eV are the energies of the HOMO and LUMO of the iron metal, respectively [46]. The main global reactivity descriptors (GRDs), such as the fundamental deviation (F g ), global hardness for inhibitor (η inh ) and iron (η Fe ), softness (S), electronegativity inhibitor (χ inh ), and electrophilicity (ω) using the vertical ionization potential (I v ) and vertical electron affinity (A v ), were used to assess the report of the transferred electrons (∆N 110 ) and electron back-donation energy (∆E b−d ) [29,[47][48][49][50][51][52][53].…”

Section: Dft and MD Detailsmentioning

confidence: 99%

Assessment of New Imidazol Derivatives and Investigation of Their Corrosion-Reducing Characteristics for Carbon Steel in HCl Acid Solution

et al. 2023

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This study assessed the corrosion inhibitory and adsorption properties of two imidazol derivatives, namely 5-((2,4,5-triphenyl-1H-imidazol-1-yl)methyl)quinolin-8-ol (TIMQ) and 5-((2-(4-chlorophenyl)-4,5-diphenyl-1H-imidazol-1-yl)methyl)quinolin-8-ol (CDIQ), on carbon steel (CS) in 1 M of HCl using electrochemical methods, including electrochemical impedance spectroscopy (EIS), potentiodynamic polarization measurements (PDP), UV–visible spectroscopy (UV–v), scanning electron microscopy (SEM), and molecular modeling. The findings showed that TIMQ and CDIQ were potent inhibitors with inhibition efficiencies of 94.8% and 95.8%, respectively. The potentiodynamic polarization experiments showed that the inhibitors worked as mixed-type inhibitors, and the impedance investigations supported the improvement of a protective layer for the inhibitor on the metal surface. Each inhibitor was adsorbed onto the carbon steel surfaces, according to the Langmuir adsorption method. The steel was shielded from acidic ions by an adsorbed coating of the inhibitor molecules, according to SEM. Density functional theory (DFT) calculations and molecular dynamics (MD) simulations were used to inspect the results, and a good correlation was found between these results and those of the study. This information can be applied to determine the effectiveness of inhibitors in a HCl acid solution.

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Enhanced corrosion resistance of carbon steel in an aggressive environment by a recently developed pyrazole derivative: Electrochemical, SEM/XPS/AFM, and theoretical investigation

Timoudan,

Faydy,

Titi

et al. 2024

J Solid State Electrochem

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4-phenyl-decahydro-1H-1,5-benzodiazepin-2-one as novel and effective corrosion inhibitor for carbon steel in 1 M HCl solution: A combined experimental and empirical studies

Cited by 18 publications

References 64 publications

Adsorption and Inhibition Mechanisms of New Pyrazole Derivatives for Carbon Steel Corrosion in Hydrochloric Acid Solutions Based on Experimental, Computational, and Theoretical Calculations

Adsorption and Inhibition Mechanisms of New Pyrazole Derivatives for Carbon Steel Corrosion in Hydrochloric Acid Solutions Based on Experimental, Computational, and Theoretical Calculations

Assessment of New Imidazol Derivatives and Investigation of Their Corrosion-Reducing Characteristics for Carbon Steel in HCl Acid Solution

Enhanced corrosion resistance of carbon steel in an aggressive environment by a recently developed pyrazole derivative: Electrochemical, SEM/XPS/AFM, and theoretical investigation

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