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<p>A newly synthesized pyrazolo-triazole/hydrazono ester derivative, EPMT, was evaluated as a corrosion inhibitor for low-carbon steel (LCS) in 0.5&#xa0;M HCl using weight-loss (WL) measurements, open-circuit potential (OCP), potentiodynamic polarization (PDP), electrochemical impedance spectroscopy (EIS), surface analysis, density-functional theory (DFT), and Monte Carlo (MC) adsorption modeling. The novelty of the work lies not only in the inhibitor performance, but also in the molecular scaffold itself: the EPMT framework merges a pyrazolo-triazole platform with a hydrazono ester/thioether functionality and therefore concentrates multiple adsorption-active centers (N, O, and S atoms together with extended pi-conjugation) within a single molecule. Structural confirmation was supported by FT-IR, 1&#xa0;H NMR, 13&#xa0;C NMR, and EI-MS data consistent with the assigned EPMT structure, including the reported molecular-ion peak at m/z 580.40. Experimentally, EPMT showed a strong concentration-response relationship, with WL inhibition efficiency rising from 59.09% at 50 ppm to 93.45% at 300 ppm and 298&#xa0;K, while remaining 76.00% even at 328&#xa0;K. PDP and EIS independently confirmed the same trend: the corrosion current density decreased from 0.161 to 0.010 × 10<sup>− 3</sup> A cm<sup>− 2</sup>, whereas the charge-transfer resistance increased from 100 to 1451 ohm cm<sup>2</sup>, corresponding to 93.78% and 93.11% inhibition, respectively, at 300 ppm. SEM and AFM comparisons showed that the acid-roughened steel surface was restored toward the polished state in the presence of EPMT. The tabulated DFT descriptors and MC adsorption energies further support strong adsorption of EPMT on Fe(110), consistent with mixed physisorption-chemisorption and effective surface blocking. Overall, the combined gravimetric, electrochemical, surface, and computational results demonstrate that EPMT is an efficient inhibitor for low-carbon steel in 0.5&#xa0;M HCl.</p>

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Pyrazolo-triazole/hydrazono ester EPMT as a mixed-type corrosion inhibitor for low-carbon steel in 0.5 M HCl: electrochemical, surface, and computational evidence

  • 期刊论文

  • 出版模式：

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  • 发表日期：

    2026年6月2日

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  • Ghada G. El-Bana,
  • Mostafa E. Salem,
  • Ahmed Z. Ibrahim,
  • Ahmed D. H. Deeb,
  • Mohamed Abdel-Megid,
  • Mansour Alsarrani,
  • Mokhtar Al-Abyadh,
  • Mostafa A. A. Mahmoud

摘要

A newly synthesized pyrazolo-triazole/hydrazono ester derivative, EPMT, was evaluated as a corrosion inhibitor for low-carbon steel (LCS) in 0.5 M HCl using weight-loss (WL) measurements, open-circuit potential (OCP), potentiodynamic polarization (PDP), electrochemical impedance spectroscopy (EIS), surface analysis, density-functional theory (DFT), and Monte Carlo (MC) adsorption modeling. The novelty of the work lies not only in the inhibitor performance, but also in the molecular scaffold itself: the EPMT framework merges a pyrazolo-triazole platform with a hydrazono ester/thioether functionality and therefore concentrates multiple adsorption-active centers (N, O, and S atoms together with extended pi-conjugation) within a single molecule. Structural confirmation was supported by FT-IR, 1 H NMR, 13 C NMR, and EI-MS data consistent with the assigned EPMT structure, including the reported molecular-ion peak at m/z 580.40. Experimentally, EPMT showed a strong concentration-response relationship, with WL inhibition efficiency rising from 59.09% at 50 ppm to 93.45% at 300 ppm and 298 K, while remaining 76.00% even at 328 K. PDP and EIS independently confirmed the same trend: the corrosion current density decreased from 0.161 to 0.010 × 10− 3 A cm− 2, whereas the charge-transfer resistance increased from 100 to 1451 ohm cm2, corresponding to 93.78% and 93.11% inhibition, respectively, at 300 ppm. SEM and AFM comparisons showed that the acid-roughened steel surface was restored toward the polished state in the presence of EPMT. The tabulated DFT descriptors and MC adsorption energies further support strong adsorption of EPMT on Fe(110), consistent with mixed physisorption-chemisorption and effective surface blocking. Overall, the combined gravimetric, electrochemical, surface, and computational results demonstrate that EPMT is an efficient inhibitor for low-carbon steel in 0.5 M HCl.