Theoretical, electrochemical and computational inspection for anti-corrosion activity of triazepine derivatives on mild steel in HCl medium

Paul, Priya Kumari; Mehta, Rohini; Yadav, Mahendra; Obot, I.B.

doi:10.1016/j.molliq.2021.118075

Cited by 6 publications

(2 citation statements)

References 62 publications

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“…In Fig. 14 , three peaks of C1s spectrum with binding energies of 283.76, 285.05, and 285.80 eV are assigned to the C–C or C–H, C=O and C–N bonds respectively 56 , 57 . The O1s peaks at 531.16 eV, 532.30 eV along with 533.09 eV, respectively, connected to O=C or C–O, C–OH, and Fe 2 O 3 57 , 58 .…”

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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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

Self Cite

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“…Kumari et al (2014) reported that Schiff base -(RC=NR-) has both features (lone pair of electrons on nitrogen and double bond) combined with their structure, showing extraordinary inhibition characteristics for mild steel in an acid medium. They play significant roles by blocking the active sites when adsorbed on the surface, thereby lowering the effect of the corrodent (Hegazy et al, 2014;Abdallaha et al, 2016 amino-3, 4-dimethyl-5-phenyl cyclo pent-2-en-1-one (Onwu et al, 2016;Ekuma et al, 2017); N,N'-bis-(1hydroxyphenylimine)-2,5-thiophenedicarboxaldehyde (Wanees and Seda, 2019); 3-((5-mercapto-1,3,4thiadiazol-2-yl) imino)indolin-2-one (Betti et al, 2023) and 2-amino-9-(1H-indol-3-yl)-4-(4-methoxyphenyl)-7-oxo1,7-dihydropyrido[1,2-b][1,2,4]triazepine-3,8,10tricarbonitrile and ethyl 2-amino-8,10-dicyano-9-(2-hydroxy3-methoxyphenyl)-4-(4-methoxyphenyl)-7-oxo-1,7-dihydropyrido[1,2-b][1,2,4]triazepine-3-carboxy late (Paul at et al, 2021).…”

Section: Introductionmentioning

confidence: 99%

Adsorption and inhibitive effect of N-[(4{[(Z)-(4-hydroxy phenyl) methylidene] amino} phenyl) sulfonyl acetamide on the corrosion of mild steel in HCl medium

Ogueji,

Amadi,

Oranuka

et al. 2023

USci

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In this study, the inhibitive effects of Schiff’s base, N-[(4{[(Z)-(4-hydroxy phenyl) methylidene] amino} phenyl) sulfonyl acetamide (4-HPMAPSA) on mild steel corrosion in 1.0 M HCl(aq) at different temperatures were investigated using weight loss and scanning electron microscope. The Fourier transform infrared spectrum and X-ray diffraction pattern of 4-HPMAPSA were obtained. It was found that the inhibition effectiveness of 4-HPMAPSA relies on the temperature, 4-HPMAPSA concentration and exposure period. 4-HPMAPSA hinders mild steel corrosion and exhibits a maximum inhibitive efficiency of 88.5 % at 0.5 g of 4-HPMAPSA at 303 K. The activation energy (Ea) value (45.0 to 52.3 kJmol-1) with an average of 47.7 kJmol-1 was obtained for the 4-HPMAPSA-inhibited reaction and 35.1 kJmol-1 for the uninhibited. The thermodynamic values calculated for the 4-HPMAPSA-inhibited reaction show that the process is spontaneous and endothermic. With an R2 value of 0.9646 to 0.9999, Langmuir isotherm best described the 4-HPMAPSA uptake behaviour.

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Synthesized novel carbon dots as green corrosion inhibitor for mild steel in hydrochloric acid: Gravimetric, electrochemical and morphological studies

Mehta

Gupta

Yadav

2023

Diamond and Related Materials

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Theoretical, electrochemical and computational inspection for anti-corrosion activity of triazepine derivatives on mild steel in HCl medium

Cited by 6 publications

References 62 publications

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

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

Adsorption and inhibitive effect of N-[(4{[(Z)-(4-hydroxy phenyl) methylidene] amino} phenyl) sulfonyl acetamide on the corrosion of mild steel in HCl medium

Synthesized novel carbon dots as green corrosion inhibitor for mild steel in hydrochloric acid: Gravimetric, electrochemical and morphological studies

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