Corrosion Inhibition Study of Mild Steel in an Aqueous Hydrochloric Acid Solution Using Brilliant Cresyl Blue - a Combined Experimental and Monte Carlo Study

Berisha, Avni; Podvorica, Fetah I.; Vataj, R

doi:10.4152/pea.2021390601

Cited by 19 publications

(6 citation statements)

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“…Figure 9 shows the computed Mulliken charges of a few chosen atoms. One can see that the heteroatom produces a pronounced surplus of negative charges, thus being able to act as a nucleophilic reagent [56,57]. The Mulliken charges of the atoms, determined for the compound, indicate that the most negative atom is O in red (−0.570) and the latter constitutes the active center.…”

Section: Sem Analysismentioning

confidence: 99%

Anti-Corrosion Coating Formation by a Biopolymeric Extract of Artemisia herba-alba Plant: Experimental and Theoretical Investigations

et al. 2023

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In this modest work, a local biopolymer (CHA), biodegradable, non-toxic, and soluble in acidic media, was extracted from the plant Artemisia herba-alba located in the eastern region of Morocco, and characterized by FT-IR, in order to valorize it as a corrosion inhibitor of mild steel in 1 M HCl medium. The electrochemical tests show that the extract is an excellent corrosion protective agent, reaching a maximum value of 96.17% at the concentration of 800 mg/L in the inhibitor. The potentiodynamic polarization (PDP) curves indicate the mixed behavior of the extract, to reduce the current density from 3.445 mA/cm2 to 0.104 mA/cm2 in the presence of 800 mg/L in the inhibitor. The biopolymer CHA of the extract of Artemisia herba-alba undergoes the Langmuir adsorption isotherm, whose adsorption energy is −20.75 kJ/mol, which is attributed to the presence of electrostatic and covalent bonds. In addition, the visualization of the metal surface by a scanning electron microscope (SEM) indicates the formation of a protective layer formed by the extracts of Artemisia herba-alba, which confirms the protective characteristic of the extract used. Theoretical investigations by DFT, MD, and MC confirm previous experimental results.

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Section: Sem Analysismentioning

confidence: 99%

Anti-Corrosion Coating Formation by a Biopolymeric Extract of Artemisia herba-alba Plant: Experimental and Theoretical Investigations

et al. 2023

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“…21 , as determined by the experimental and theoretical investigations. Inhibitor molecules, by virtue of their adsorptive affinity, reject the pre-adsorbed H 2 O molecules and corrosive species, finally adsorb on the surface of MS, therefore sheltering cathodic along with the anodic site 77 , 78 . This protects the surface against corrosion.…”

Section: Resultsmentioning

confidence: 99%

Electrochemical, surface morphological and computational evaluation on carbohydrazide Schiff bases as corrosion inhibitor for mild steel in acidic medium

Gupta,

Mitra,

Yadav

et al. 2023

Sci Rep

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Anticorrosion and adsorption behaviour of synthesized carbohydrazide Schiff bases, namely (Z)-N′-(4-hydroxy-3-methoxybenzylidene)-6-methyl-2-oxo-4-phenyl-1,2,3,4-tetrahydropyrimidine-5-carbohydrazide(MBTC) and (Z)-N′-(3,4-dichlorobenzylidene)-6-methyl-2-oxo-4-phenyl-1,2,3,4-tetrahydropyrimidine-5-carbohydrazide (CBTC) was examined for mild steel (MS) in 15% HCl medium. The corrosion inhibition study was performed by using gravimetric, thermodynamic, electrochemical and theoretical studies including density functional theory (DFT), molecular dynamic simulation (MDS) and Monte Carlo simulations (MCS). The outcomes in terms of corrosion inhibition efficiency using electrochemical impedance spectroscopy (EIS) method at 303 K and 150 ppm concentration were 96.75% for MBTC and 95.14% for CBTC. Both inhibitors adsorbed on the MS surface through physical as well as chemical adsorption and followed the Langmuir isotherm. The mixed-type nature of both inhibitors was identified by polarization results. Surface analysis was done using FESEM, EDX, AFM and XPS studies and results showed that a protective layer of inhibitor molecules was developed over the surface of MS. The results of DFT, MCS and MDS are in accordance with experimental results obtained by weight loss and electrochemical methods.

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“…To further investigate the system dynamics, molecular dynamics (MD) simulations were performed under the NVT ensemble at 298 K [ 44 , 46 , [50] , [51] , [52] ]. The Total simulation time was 0.8 ns (ns) for MD experiments [ [51] , [52] , [53] , [54] , [55] , [56] ].…”

Section: Methodsmentioning

confidence: 99%

Application of Taguchi method, response surface methodology, DFT calculation and molecular dynamics simulation into the removal of orange G and crystal violet by treated biomass

Dabagh,

Benhiti,

EL-Habacha

et al. 2023

Heliyon

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Corrosion Inhibition Study of Mild Steel in an Aqueous Hydrochloric Acid Solution Using Brilliant Cresyl Blue - a Combined Experimental and Monte Carlo Study

Cited by 19 publications

References 0 publications

Anti-Corrosion Coating Formation by a Biopolymeric Extract of Artemisia herba-alba Plant: Experimental and Theoretical Investigations

Anti-Corrosion Coating Formation by a Biopolymeric Extract of Artemisia herba-alba Plant: Experimental and Theoretical Investigations

Electrochemical, surface morphological and computational evaluation on carbohydrazide Schiff bases as corrosion inhibitor for mild steel in acidic medium

Application of Taguchi method, response surface methodology, DFT calculation and molecular dynamics simulation into the removal of orange G and crystal violet by treated biomass

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