Pyrazoline derivatives as possible corrosion inhibitors for mild steel in acidic media: A combined experimental and theoretical approach

Hassane Lgaz, Rachid Salghi, Abdelkarim Chaouiki, Shubhalaxmi, Shehdeh Jodeh, K. Subrahmanya Bhat

Research output: Contribution to journalArticle

3 Citations (Scopus)

Abstract

Various experimental and theoretical methods have been employed to study the effectiveness of two pyrazoline derivatives namely, 2-(4-(5-(p-tolyl)-4,5-dihydro-1H-pyrazol-3-yl)phenoxy)acetic acid (P1) and 2-(4-(5-(4-nitrophenyl)-4,5-dihydro-1H-pyrazol-3-yl)phenoxy)acetic acid (P2) as corrosion inhibitors for mild steel in 1.0 M HCl at 303 K. The inhibitors show high inhibition efficiency and their adsorption on mild steel surface was found to obey Langmuir adsorption isotherm. Potentiodynamic polarization results revealed that both compounds behaved as mixed-type inhibitors. The results from electrochemical impedance spectroscopy studies reveal an increase in polarization resistance. Density Functional Theory calculations and molecular dynamic simulations were used to give basic insights into the action mode of inhibitors as well as to substantiate the experimental results. The surface morphology of the mild steel surface was examined using Scanning Electron Microscopy and Atomic Force Microscopy.

Original languageEnglish
Article number1441585
JournalCogent Engineering
Volume5
Issue number1
DOIs
Publication statusPublished - 01-01-2018

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Corrosion inhibitors
Carbon steel
Derivatives
Acetic acid
Acetic Acid
Potentiodynamic polarization
Electrochemical impedance spectroscopy
Adsorption isotherms
Density functional theory
Surface morphology
Molecular dynamics
Atomic force microscopy
Polarization
Adsorption
Scanning electron microscopy
Computer simulation

All Science Journal Classification (ASJC) codes

  • Computer Science(all)
  • Chemical Engineering(all)
  • Engineering(all)

Cite this

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abstract = "Various experimental and theoretical methods have been employed to study the effectiveness of two pyrazoline derivatives namely, 2-(4-(5-(p-tolyl)-4,5-dihydro-1H-pyrazol-3-yl)phenoxy)acetic acid (P1) and 2-(4-(5-(4-nitrophenyl)-4,5-dihydro-1H-pyrazol-3-yl)phenoxy)acetic acid (P2) as corrosion inhibitors for mild steel in 1.0 M HCl at 303 K. The inhibitors show high inhibition efficiency and their adsorption on mild steel surface was found to obey Langmuir adsorption isotherm. Potentiodynamic polarization results revealed that both compounds behaved as mixed-type inhibitors. The results from electrochemical impedance spectroscopy studies reveal an increase in polarization resistance. Density Functional Theory calculations and molecular dynamic simulations were used to give basic insights into the action mode of inhibitors as well as to substantiate the experimental results. The surface morphology of the mild steel surface was examined using Scanning Electron Microscopy and Atomic Force Microscopy.",
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Pyrazoline derivatives as possible corrosion inhibitors for mild steel in acidic media : A combined experimental and theoretical approach. / Lgaz, Hassane; Salghi, Rachid; Chaouiki, Abdelkarim; Shubhalaxmi; Jodeh, Shehdeh; Subrahmanya Bhat, K.

In: Cogent Engineering, Vol. 5, No. 1, 1441585, 01.01.2018.

Research output: Contribution to journalArticle

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T2 - A combined experimental and theoretical approach

AU - Lgaz, Hassane

AU - Salghi, Rachid

AU - Chaouiki, Abdelkarim

AU - Shubhalaxmi, null

AU - Jodeh, Shehdeh

AU - Subrahmanya Bhat, K.

PY - 2018/1/1

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