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<p>In this study, we report the synthesis, inhibition efficiency, and adsorption behavior of two piperazine derivatives: 1,4-dibenzoylpiperazine (PBZ) and its reduced form, 1,4-dibenzylpiperazine (PBM). The piperazine derivatives were synthesized with good yields, and their structures were established using spectroscopic (<sup>1</sup>H NMR and <sup>13</sup>C NMR) and spectrometric (LC–MS<b>)</b> methods. The inhibition efficiency of the synthesized materials against carbon steel corrosion in 1&#xa0;M HCl solution was investigated using different electrochemical measurements. Firstly, the potentiodynamic polarization (PDP) measurements indicate that both inhibitors act as mixed-type inhibitors. Electrochemical impedance spectroscopy (EIS) measurements also confirm the results obtained from polarization curves, indicating that inhibitory efficiency increases with concentration, reaching a maximum value of 88.26% for the inhibitor PBZ and 92.62% for PBM when the inhibitor concentration has reached the highest value of 10<sup>–3</sup>&#xa0;M. The effect of temperature on corrosion behavior with the addition of the synthesized inhibitors was studied in the thermal range from 298 to 328&#xa0;K. The adsorption of these compounds onto the carbon steel surface obeys the Langmuir adsorption isotherm model, indicating a chemical adsorption mechanism. The surface morphologies submerged in the corrosive solution were characterized by scanning electron microscopy (SEM) in conjunction with energy-dispersive spectroscopy (EDS). In addition to the experimental approach, a comprehensive computational study was performed, including Density Functional Theory (DFT) calculations, Monte Carlo (MC) simulations, and Molecular Dynamics (MD) simulations, to thoroughly investigate the inhibition behavior of the studied compounds. The results demonstrated a good concordance between the experimental data and the theoretical predictions.</p> Graphical Abstract <p></p>

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Ultrasonic-Microwave Assisted Synthesis, Characterization, and Corrosion Inhibition Potential of Piperazine Derivatives for Carbon Steel in 1 M HCl: Electrochemical and Computational Studies

  • 期刊论文

  • 发表日期：

    2026年3月2日

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  • Mohamed Tanghourte,
  • Nazih Ouassou,
  • Nazih Asoufar,
  • Mohammed El Mesky,
  • Hicham Zgueni,
  • Salma Dradi,
  • Samira Kharchouf,
  • Mohamed Jabha,
  • Mohammed Chalkha,
  • Asmae Nakkabi,
  • Mohamed Znini,
  • El Houssine Mabrouk

摘要

In this study, we report the synthesis, inhibition efficiency, and adsorption behavior of two piperazine derivatives: 1,4-dibenzoylpiperazine (PBZ) and its reduced form, 1,4-dibenzylpiperazine (PBM). The piperazine derivatives were synthesized with good yields, and their structures were established using spectroscopic (1H NMR and 13C NMR) and spectrometric (LC–MS) methods. The inhibition efficiency of the synthesized materials against carbon steel corrosion in 1 M HCl solution was investigated using different electrochemical measurements. Firstly, the potentiodynamic polarization (PDP) measurements indicate that both inhibitors act as mixed-type inhibitors. Electrochemical impedance spectroscopy (EIS) measurements also confirm the results obtained from polarization curves, indicating that inhibitory efficiency increases with concentration, reaching a maximum value of 88.26% for the inhibitor PBZ and 92.62% for PBM when the inhibitor concentration has reached the highest value of 10–3 M. The effect of temperature on corrosion behavior with the addition of the synthesized inhibitors was studied in the thermal range from 298 to 328 K. The adsorption of these compounds onto the carbon steel surface obeys the Langmuir adsorption isotherm model, indicating a chemical adsorption mechanism. The surface morphologies submerged in the corrosive solution were characterized by scanning electron microscopy (SEM) in conjunction with energy-dispersive spectroscopy (EDS). In addition to the experimental approach, a comprehensive computational study was performed, including Density Functional Theory (DFT) calculations, Monte Carlo (MC) simulations, and Molecular Dynamics (MD) simulations, to thoroughly investigate the inhibition behavior of the studied compounds. The results demonstrated a good concordance between the experimental data and the theoretical predictions.

Graphical Abstract