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

^*Bu çalışma için yazışmadan sorumlu yazar

Kimya Bölümü

Araştırma sonucu: Dergiye katkı › Makale › bilirkişi

39 Atıf (Scopus)

Özet

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.

Orijinal dil	İngilizce
Sayfa (başlangıç-bitiş)	1182-1193
Sayfa sayısı	12
Dergi	Protection of Metals and Physical Chemistry of Surfaces
Hacim	54
Basın numarası	6
DOI'lar	https://doi.org/10.1134/S2070205118060229
Yayın durumu	Yayınlandı - 1 Kas 2018

Bibliyografik not

Publisher Copyright:
© 2018, Pleiades Publishing, Ltd.

Finansman

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.

Finansörler	Finansör numarası
Tebessa University

Belgeye Erişim

10.1134/S2070205118060229

Diğer Dosyalar ve Linkler

Link to publication in Scopus

Alıntı Yap

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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title = "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",

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.",

keywords = "bis-pyrazoline derivative, carbon steel, corrosion, DFT, SEM",

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

note = "Publisher Copyright: {\textcopyright} 2018, Pleiades Publishing, Ltd.",

year = "2018",

month = nov,

day = "1",

doi = "10.1134/S2070205118060229",

language = "English",

volume = "54",

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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, hac. 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, Hac. 54, No. 6, 01.11.2018, p. 1182-1193.

Araştırma sonucu: Dergiye katkı › Makale › bilirkişi

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.

KW - bis-pyrazoline derivative

KW - carbon steel

KW - corrosion

KW - DFT

KW - SEM

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SN - 2070-2051

VL - 54

SP - 1182

EP - 1193

JO - Protection of Metals and Physical Chemistry of Surfaces

JF - Protection of Metals and Physical Chemistry of Surfaces

IS - 6

ER -

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

Özet

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Belgeye Erişim

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