Insight into the corrosion inhibition performance of two quinoline-3-carboxylate derivatives as highly efficient inhibitors for mild steel in acidic medium: Experimental and theoretical evaluations

Abouchane, M.; Dkhireche, N.; Rbaa, Mohamed; Benhiba, F.; Ouakki, M.; Galai, M.; Lakhrissi, B.; Zarrouk, A.; Touhami, M. Ebn

doi:10.1016/j.molliq.2022.119470

Cited by 25 publications

(5 citation statements)

References 63 publications

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“…The low value of E inter confirms interactions between all forms and the iron atoms Table lists the values of this descriptor for all systems.…”

Section: Resultsmentioning

confidence: 59%

“…The E interaction (E inter ) value is defined by the equation hereunder 74 = + + E E E E inter (surface solution) i total (15) The low value of E inter confirms interactions between all forms and the iron atoms. 75 Table 9 lists the values of this descriptor for all systems. Based on a comparison analysis, it seems that the largest negative value of L4/Fe(110) (−778.604 kJ mol −1 ) indicates a more significant interaction.…”

Section: Simulation Studymentioning

confidence: 99%

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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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“…The low value of E inter confirms interactions between all forms and the iron atoms Table lists the values of this descriptor for all systems.…”

Section: Resultsmentioning

confidence: 59%

Section: Simulation Studymentioning

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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“…Figures 4 , and 5 display the obtained EIS findings in Nyquist and Bode modules, respectively. This Figure clearly shows that all impedance spectra have a single capacitive loop, which demonstrates that the charge transfer process is primarily responsible for controlling the corrosion of C-steel in molar HCl with and without inhibitors and is regularly associated with the double-layer performance 41 . Additionally, these diagrams are identical for all concentrations tested, showing that the corrosion mechanism is unchanged 42 .…”

Section: Resultsmentioning

confidence: 88%

Corrosion mitigation characteristics of some novel organoselenium thiourea derivatives for acid pickling of C1018 steel via experimental and theoretical study

El‐Lateef

Khalaf

Gouda

et al. 2023

Sci Rep

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Two organoselenium thiourea derivatives, 1-(4-(methylselanyl)phenyl)-3-phenylthiourea (DS036) and 1-(4-(benzylselanyl)phenyl)-3-phenylthiourea (DS038) were produced and categorized using FTIR and NMR (1H and 13C). The effectiveness of the above two compounds as C-steel corrosion inhibitors in molar HCl was evaluated using the potentiodynamic polarization (PD) and electrochemical impedance spectroscopy (EIS) techniques. PD findings indicate that DS036 and DS038 have mixed-type features. EIS results show that growing their dose not only changes the polarization resistance of C-steel from 18.53 to 363.64 and 463.15 Ω cm2 but also alters the double layer capacitance from 710.9 to 49.7 and 20.5 μF cm−2 in the occurrence of 1.0 mM of DS036 and DS038, respectively. At a 1.0 mM dose, the organoselenium thiourea derivatives displayed the highest inhibition efficiency of 96.65% and 98.54%. The inhibitory molecule adsorption proceeded along the Langmuir isotherm on the steel substrate. The adsorption-free energy of the adsorption process was also intended and indicated a combined chemical and physical adsorption on the C-steel interface. FE-SEM studies support the adsorption and protective abilities of the OSe-based molecule inhibitor systems. In Silico calculations (DFT and MC simulations) explored the attraction between the studied organoselenium thiourea derivatives and corrosive solution anions on a Fe (110) surface. The obtained results show that these compounds can make a suitable preventing surface and control the corrosion rate.

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“…The evaluation of the inhibitory efficacy using a theoretical MD approach was conducted to better understand the interfacial interactions between the two inhibitors TIMQ and CDIQ in both the non-charged and protonated forms and the metal substrate with the first iron layer atoms [101]. This simulation needed to account for the 303 K temperature, the acidic research media (H 3 O + , Cl − , and H 2 O), the iron metal (Fe(110), and the neutral and protonated TIMQ and CDIQ [102].…”

Section: Local Reactivity Descriptors (Lrd)mentioning

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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Insight into the corrosion inhibition performance of two quinoline-3-carboxylate derivatives as highly efficient inhibitors for mild steel in acidic medium: Experimental and theoretical evaluations

Cited by 25 publications

References 63 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

Corrosion mitigation characteristics of some novel organoselenium thiourea derivatives for acid pickling of C1018 steel via experimental and theoretical study

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

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