New benzohydrazide derivative as corrosion inhibitor for carbon steel in a 1.0 M HCL solution

Electrochemical, DFT and monte carlo simulation studies

A. Chaouiki, H. Lgaz, R. Salghi, Santosh L. Gaonkar, K. Subrahmanya Bhat, S. Jodeh, K. Toumiat, H. Oudda

Research output: Contribution to journalArticle

Abstract

The present study aimed to evaluate the inhibition effect of an organic compound, namely, (E)-N'-(2-hydroxybenzylidene)isonicotinohydrazide (BIH), for carbon steel corrosion in a 1.0 M HCl solution, by using weight loss (WL), potentiodynamic polarization (PDP) and electrochemical impedance spectroscopy (EIS). Results show that BIH is a good inhibitor, and the percentage of inhibition efficiency increases on its higher concentrations. The maximum inhibition efficiency of 94% was obtained at 5×10-3 M. Polarization studies revealed that the BIH compound acts as a mixed type inhibitor. EIS showed that increasing the concentration of the inhibitor led to an increase in the charge transfer resistance and a decrease in the double layer capacitance. It was found that the adsorption of this compound obeyed the Langmuir adsorption isotherm. The associated activation energies and thermodynamic parameters of the adsorption process were evaluated and discussed. The temperature effect was studied in the range from 303 to 333 K. In addition, quantum chemical calculations based on the density function theory (DFT) and Monte Carlo simulations were done to support the experimental results.

Original languageEnglish
Pages (from-to)147-165
Number of pages19
JournalPortugaliae Electrochimica Acta
Volume37
Issue number3
DOIs
Publication statusPublished - 01-01-2019

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Corrosion inhibitors
Electrochemical impedance spectroscopy
Probability density function
Carbon steel
Derivatives
Adsorption
Steel corrosion
Potentiodynamic polarization
Adsorption isotherms
Organic compounds
Thermal effects
Charge transfer
Capacitance
Activation energy
Thermodynamics
Polarization
Monte Carlo simulation

All Science Journal Classification (ASJC) codes

  • Electrochemistry

Cite this

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title = "New benzohydrazide derivative as corrosion inhibitor for carbon steel in a 1.0 M HCL solution: Electrochemical, DFT and monte carlo simulation studies",
abstract = "The present study aimed to evaluate the inhibition effect of an organic compound, namely, (E)-N'-(2-hydroxybenzylidene)isonicotinohydrazide (BIH), for carbon steel corrosion in a 1.0 M HCl solution, by using weight loss (WL), potentiodynamic polarization (PDP) and electrochemical impedance spectroscopy (EIS). Results show that BIH is a good inhibitor, and the percentage of inhibition efficiency increases on its higher concentrations. The maximum inhibition efficiency of 94{\%} was obtained at 5×10-3 M. Polarization studies revealed that the BIH compound acts as a mixed type inhibitor. EIS showed that increasing the concentration of the inhibitor led to an increase in the charge transfer resistance and a decrease in the double layer capacitance. It was found that the adsorption of this compound obeyed the Langmuir adsorption isotherm. The associated activation energies and thermodynamic parameters of the adsorption process were evaluated and discussed. The temperature effect was studied in the range from 303 to 333 K. In addition, quantum chemical calculations based on the density function theory (DFT) and Monte Carlo simulations were done to support the experimental results.",
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New benzohydrazide derivative as corrosion inhibitor for carbon steel in a 1.0 M HCL solution : Electrochemical, DFT and monte carlo simulation studies. / Chaouiki, A.; Lgaz, H.; Salghi, R.; Gaonkar, Santosh L.; Subrahmanya Bhat, K.; Jodeh, S.; Toumiat, K.; Oudda, H.

In: Portugaliae Electrochimica Acta, Vol. 37, No. 3, 01.01.2019, p. 147-165.

Research output: Contribution to journalArticle

TY - JOUR

T1 - New benzohydrazide derivative as corrosion inhibitor for carbon steel in a 1.0 M HCL solution

T2 - Electrochemical, DFT and monte carlo simulation studies

AU - Chaouiki, A.

AU - Lgaz, H.

AU - Salghi, R.

AU - Gaonkar, Santosh L.

AU - Subrahmanya Bhat, K.

AU - Jodeh, S.

AU - Toumiat, K.

AU - Oudda, H.

PY - 2019/1/1

Y1 - 2019/1/1

N2 - The present study aimed to evaluate the inhibition effect of an organic compound, namely, (E)-N'-(2-hydroxybenzylidene)isonicotinohydrazide (BIH), for carbon steel corrosion in a 1.0 M HCl solution, by using weight loss (WL), potentiodynamic polarization (PDP) and electrochemical impedance spectroscopy (EIS). Results show that BIH is a good inhibitor, and the percentage of inhibition efficiency increases on its higher concentrations. The maximum inhibition efficiency of 94% was obtained at 5×10-3 M. Polarization studies revealed that the BIH compound acts as a mixed type inhibitor. EIS showed that increasing the concentration of the inhibitor led to an increase in the charge transfer resistance and a decrease in the double layer capacitance. It was found that the adsorption of this compound obeyed the Langmuir adsorption isotherm. The associated activation energies and thermodynamic parameters of the adsorption process were evaluated and discussed. The temperature effect was studied in the range from 303 to 333 K. In addition, quantum chemical calculations based on the density function theory (DFT) and Monte Carlo simulations were done to support the experimental results.

AB - The present study aimed to evaluate the inhibition effect of an organic compound, namely, (E)-N'-(2-hydroxybenzylidene)isonicotinohydrazide (BIH), for carbon steel corrosion in a 1.0 M HCl solution, by using weight loss (WL), potentiodynamic polarization (PDP) and electrochemical impedance spectroscopy (EIS). Results show that BIH is a good inhibitor, and the percentage of inhibition efficiency increases on its higher concentrations. The maximum inhibition efficiency of 94% was obtained at 5×10-3 M. Polarization studies revealed that the BIH compound acts as a mixed type inhibitor. EIS showed that increasing the concentration of the inhibitor led to an increase in the charge transfer resistance and a decrease in the double layer capacitance. It was found that the adsorption of this compound obeyed the Langmuir adsorption isotherm. The associated activation energies and thermodynamic parameters of the adsorption process were evaluated and discussed. The temperature effect was studied in the range from 303 to 333 K. In addition, quantum chemical calculations based on the density function theory (DFT) and Monte Carlo simulations were done to support the experimental results.

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