Synthesis and Characterization of a Bis-Pyrazoline Derivative as Corrosion Inhibitor for A283 Carbon Steel in 1M HCl: Electrochemical, Surface, DFT and MD Simulation Studies

I. Selatnia; A. Sid; M. Benahmed; O. Dammene debbih; T. Ozturk; N. Gherraf

doi:10.1134/S2070205118060229

Synthesis and Characterization of a Bis-Pyrazoline Derivative as Corrosion Inhibitor for A283 Carbon Steel in 1M HCl: Electrochemical, Surface, DFT and MD Simulation Studies

I. Selatnia, A. Sid^*, M. Benahmed, O. Dammene debbih, T. Ozturk, N. Gherraf

^*Corresponding author for this work

Department of Chemistry

Research output: Contribution to journal › Article › peer-review

40 Citations (Scopus)

Abstract

Abstract: The effect of a new synthesized bis-pyrazoline derivative namely: 5,5'-(1,4-phenylene) bis [1‑formyl-4,5-dihydro-3-phenyl-1H pyrazole] (Bis-Pyr) on carbon steel corrosion in 1M HCl was investigated using weight loss, potentiodynamic polarization and EIS measurement. DFT calculation and molecular dynamics simulation were used to confirm the experimental results. The results showed that inhibition efficiency of the (Bis-Pyr) compound increases with the increase of its concentration and acts as a mixed type inhibitor, e.i affecting both anodic and cathodic reactions. The adsorption of the compound on steel surface is both physical and chemical adsorptions and follows Langmuir isotherm. The surface morphology of the steel surface was carried out by scanning electron microscopy (SEM). The data obtained from theoretical and experimental studies were in reasonable agreement.

Original language	English
Pages (from-to)	1182-1193
Number of pages	12
Journal	Protection of Metals and Physical Chemistry of Surfaces
Volume	54
Issue number	6
DOIs	https://doi.org/10.1134/S2070205118060229
Publication status	Published - 1 Nov 2018

Bibliographical note

Publisher Copyright:
© 2018, Pleiades Publishing, Ltd.

Funding

The authors express their sincere thanks to the directors of the laboratories (LCATM), (LSAME) of Larbi ben M’Hidi University, Oum El Bouaghi and the director of laboratory (LMBAA) of Tebessa University, Algeria for their support of this work. The help rendered by Doctor Paul MOSSET, Rennes-1 university luck now for spectral analysis was also gratefully knowledge.

Funders	Funder number
Tebessa University

Keywords

DFT
SEM
bis-pyrazoline derivative
carbon steel
corrosion

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10.1134/S2070205118060229

Cite this

Selatnia, I., Sid, A., Benahmed, M., Dammene debbih, O., Ozturk, T., & Gherraf, N. (2018). Synthesis and Characterization of a Bis-Pyrazoline Derivative as Corrosion Inhibitor for A283 Carbon Steel in 1M HCl: Electrochemical, Surface, DFT and MD Simulation Studies. Protection of Metals and Physical Chemistry of Surfaces, 54(6), 1182-1193. https://doi.org/10.1134/S2070205118060229

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abstract = "Abstract: The effect of a new synthesized bis-pyrazoline derivative namely: 5,5'-(1,4-phenylene) bis [1‑formyl-4,5-dihydro-3-phenyl-1H pyrazole] (Bis-Pyr) on carbon steel corrosion in 1M HCl was investigated using weight loss, potentiodynamic polarization and EIS measurement. DFT calculation and molecular dynamics simulation were used to confirm the experimental results. The results showed that inhibition efficiency of the (Bis-Pyr) compound increases with the increase of its concentration and acts as a mixed type inhibitor, e.i affecting both anodic and cathodic reactions. The adsorption of the compound on steel surface is both physical and chemical adsorptions and follows Langmuir isotherm. The surface morphology of the steel surface was carried out by scanning electron microscopy (SEM). The data obtained from theoretical and experimental studies were in reasonable agreement.",

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author = "I. Selatnia and A. Sid and M. Benahmed and {Dammene debbih}, O. and T. Ozturk and N. Gherraf",

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Selatnia, I, Sid, A, Benahmed, M, Dammene debbih, O, Ozturk, T & Gherraf, N 2018, 'Synthesis and Characterization of a Bis-Pyrazoline Derivative as Corrosion Inhibitor for A283 Carbon Steel in 1M HCl: Electrochemical, Surface, DFT and MD Simulation Studies', Protection of Metals and Physical Chemistry of Surfaces, vol. 54, no. 6, pp. 1182-1193. https://doi.org/10.1134/S2070205118060229

Synthesis and Characterization of a Bis-Pyrazoline Derivative as Corrosion Inhibitor for A283 Carbon Steel in 1M HCl: Electrochemical, Surface, DFT and MD Simulation Studies. / Selatnia, I.; Sid, A.; Benahmed, M. et al.
In: Protection of Metals and Physical Chemistry of Surfaces, Vol. 54, No. 6, 01.11.2018, p. 1182-1193.

Research output: Contribution to journal › Article › peer-review

TY - JOUR

T1 - Synthesis and Characterization of a Bis-Pyrazoline Derivative as Corrosion Inhibitor for A283 Carbon Steel in 1M HCl

T2 - Electrochemical, Surface, DFT and MD Simulation Studies

AU - Selatnia, I.

AU - Sid, A.

AU - Benahmed, M.

AU - Dammene debbih, O.

AU - Ozturk, T.

AU - Gherraf, N.

PY - 2018/11/1

Y1 - 2018/11/1

N2 - Abstract: The effect of a new synthesized bis-pyrazoline derivative namely: 5,5'-(1,4-phenylene) bis [1‑formyl-4,5-dihydro-3-phenyl-1H pyrazole] (Bis-Pyr) on carbon steel corrosion in 1M HCl was investigated using weight loss, potentiodynamic polarization and EIS measurement. DFT calculation and molecular dynamics simulation were used to confirm the experimental results. The results showed that inhibition efficiency of the (Bis-Pyr) compound increases with the increase of its concentration and acts as a mixed type inhibitor, e.i affecting both anodic and cathodic reactions. The adsorption of the compound on steel surface is both physical and chemical adsorptions and follows Langmuir isotherm. The surface morphology of the steel surface was carried out by scanning electron microscopy (SEM). The data obtained from theoretical and experimental studies were in reasonable agreement.

AB - Abstract: The effect of a new synthesized bis-pyrazoline derivative namely: 5,5'-(1,4-phenylene) bis [1‑formyl-4,5-dihydro-3-phenyl-1H pyrazole] (Bis-Pyr) on carbon steel corrosion in 1M HCl was investigated using weight loss, potentiodynamic polarization and EIS measurement. DFT calculation and molecular dynamics simulation were used to confirm the experimental results. The results showed that inhibition efficiency of the (Bis-Pyr) compound increases with the increase of its concentration and acts as a mixed type inhibitor, e.i affecting both anodic and cathodic reactions. The adsorption of the compound on steel surface is both physical and chemical adsorptions and follows Langmuir isotherm. The surface morphology of the steel surface was carried out by scanning electron microscopy (SEM). The data obtained from theoretical and experimental studies were in reasonable agreement.

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KW - SEM

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Synthesis and Characterization of a Bis-Pyrazoline Derivative as Corrosion Inhibitor for A283 Carbon Steel in 1M HCl: Electrochemical, Surface, DFT and MD Simulation Studies

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Keywords

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