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<p>Three derivatives of isoxazoline and <i>N</i>-vinylpyrrolidone, namely, 1-(3-phenyl-4, 5-dihydroisoxazol-5-yl)pyrrolidin-2-one (<b>PDIP</b>), 1-(3-(4-methoxyphenyl)-4, 5-dihydroisoxazol-5-yl)pyrrolidin-2-one (<b>MDIP</b>), and 1-(3-(4-chlorophenyl)-4, 5-dihydroisoxazol-5-yl)pyrrolidin-2-one (<b>CDIP</b>) were synthesized and evaluated as corrosion inhibitors for dissolution of carbon steel (CS) in 1&#xa0;M HCl. These compounds were synthesized by the 1, 3-dipolar cycloaddition reaction between <i>N</i>-vinylpyrrolidone (NVP) and phenylnitronyloxide using the microwave oven technique in a dry medium (natural clay). FT-IR, <sup>1</sup>H NMR, and <sup>13</sup>C NMR spectroscopic techniques confirmed the structure of the <b>PDIP</b>, <b>MDIP</b>, and <b>CDIP</b> isoxazolines obtained. Evaluation of corrosion inhibition was carried out using weight loss (WL), electrochemical impedance spectroscopy (EIS), and potentiodynamic polarization (PDP) measurements, while SEM surface analysis was used to assess the corrosion resistance of these isoxazolines. In addition, density functional theory (DFT) and Monte Carlo simulations (MC) were used to understand the interaction mechanisms between these compounds and the metal surface. The results obtained show that the synthesized compounds are highly effective as corrosion inhibitors for the prevention of CS dissolution in acidic solution, with a maximum efficiency of 94.89% at a concentration of 5 × 10<sup>−3</sup>. In addition, the PDP shows that these inhibitors are of the mixed type, and that their adsorptions on the steel surface studied are consistent with the Langmuir isotherm. DFT and MC results confirm the experimental findings.</p>

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Synthesis, Characterization, and Evaluation of New Corrosion Inhibitors Derived from Isoxazoline and N-vinylpyrrolidone: Gravimetric, Electrochemical, and Computational Studies

  • 期刊论文

  • 发表日期：

    2025年9月1日

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  • Youssef Youssefi,
  • Noureddine Idlahoussaine,
  • Lahcen Oucheikh,
  • Omar Ou-ani,
  • Ahmad Oubair,
  • Brahim El ibrahimi,
  • Mohamed Znini

摘要

Three derivatives of isoxazoline and N-vinylpyrrolidone, namely, 1-(3-phenyl-4, 5-dihydroisoxazol-5-yl)pyrrolidin-2-one (PDIP), 1-(3-(4-methoxyphenyl)-4, 5-dihydroisoxazol-5-yl)pyrrolidin-2-one (MDIP), and 1-(3-(4-chlorophenyl)-4, 5-dihydroisoxazol-5-yl)pyrrolidin-2-one (CDIP) were synthesized and evaluated as corrosion inhibitors for dissolution of carbon steel (CS) in 1 M HCl. These compounds were synthesized by the 1, 3-dipolar cycloaddition reaction between N-vinylpyrrolidone (NVP) and phenylnitronyloxide using the microwave oven technique in a dry medium (natural clay). FT-IR, 1H NMR, and 13C NMR spectroscopic techniques confirmed the structure of the PDIP, MDIP, and CDIP isoxazolines obtained. Evaluation of corrosion inhibition was carried out using weight loss (WL), electrochemical impedance spectroscopy (EIS), and potentiodynamic polarization (PDP) measurements, while SEM surface analysis was used to assess the corrosion resistance of these isoxazolines. In addition, density functional theory (DFT) and Monte Carlo simulations (MC) were used to understand the interaction mechanisms between these compounds and the metal surface. The results obtained show that the synthesized compounds are highly effective as corrosion inhibitors for the prevention of CS dissolution in acidic solution, with a maximum efficiency of 94.89% at a concentration of 5 × 10−3. In addition, the PDP shows that these inhibitors are of the mixed type, and that their adsorptions on the steel surface studied are consistent with the Langmuir isotherm. DFT and MC results confirm the experimental findings.