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<p>In this study, a novel epoxy resin, triglycidyl-dibenzylidene-thiosemicarbazide (TGDBTSC), was firstly synthesized and evaluated as an efficient defensive agent for mild steel in 1&#xa0;M HCl. Electrochemical studied demonstrated excellent protection performance, with efficiencies reaching 93.2% at a concentration of 10⁻<sup>3</sup>&#xa0;M. The corrosion current density exhibited a substantial decline, from 983 to 66&#xa0;µA&#xa0;cm⁻<sup>2</sup>, as measured by Potentiodynamic Polarization (PDP), while the charge transfer resistance underwent an increase from 34.7 to 312.8&#xa0;Ω&#xa0;cm<sup>2</sup>, as measured by Electrochemical Impedance Spectroscopy (EIS). Thermodynamic studies revealed an activation energy of 40.57&#xa0;kJ·mol⁻<sup>1</sup> and an enthalpy of activation of 37.97&#xa0;kJ·mol⁻<sup>1</sup>, indicating an endothermic adsorption process. At approximately 328&#xa0;K, the inhibition efficiency remained high (86.5%), thereby confirming the thermal stability of TGDBTSC. Surface analysis revealed a smooth and compact surface morphology of protected steel, accompanied by inhibitor adsorption. Density Functional Theory (DFT) calculations revealed a smaller energy gap (ΔE<sub>gap</sub> = 2.965&#xa0;eV) and higher electron-donating ability (ΔN = 0.450) for the protonated form of TGDBTSC. Monte Carlo (MC) and molecular dynamics (MD) simulations further corroborated the strong adsorption affinity, with adsorption energies of − 180.65&#xa0;kcal/mol and radial distribution function (RDF) peaks between 1.5 and 3.0&#xa0;Å, indicative of chemisorption. These findings confirm the potential of TGDBTSC as a highly effective, durable, and thermally stable inhibitor for acid-treated steel corrosion.</p>

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New epoxy resin as a high-performance corrosion inhibitor for steel: experimental and theoretical investigations

  • 期刊论文

  • 发表日期：

    2025年9月13日

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  • Anass Tazi,
  • Omar Dagdag,
  • Abdeslam El Amri,
  • Mourad Rafik,
  • Mouna Azogagh,
  • Hasnaa Haidara,
  • Hansang Kim,
  • Abderrahim El Bachiri,
  • Avni Berisha,
  • Elyor Berdimurodov,
  • Jasur Tursunqulov,
  • Mohammed Rafik

摘要

In this study, a novel epoxy resin, triglycidyl-dibenzylidene-thiosemicarbazide (TGDBTSC), was firstly synthesized and evaluated as an efficient defensive agent for mild steel in 1 M HCl. Electrochemical studied demonstrated excellent protection performance, with efficiencies reaching 93.2% at a concentration of 10⁻3 M. The corrosion current density exhibited a substantial decline, from 983 to 66 µA cm⁻2, as measured by Potentiodynamic Polarization (PDP), while the charge transfer resistance underwent an increase from 34.7 to 312.8 Ω cm2, as measured by Electrochemical Impedance Spectroscopy (EIS). Thermodynamic studies revealed an activation energy of 40.57 kJ·mol⁻1 and an enthalpy of activation of 37.97 kJ·mol⁻1, indicating an endothermic adsorption process. At approximately 328 K, the inhibition efficiency remained high (86.5%), thereby confirming the thermal stability of TGDBTSC. Surface analysis revealed a smooth and compact surface morphology of protected steel, accompanied by inhibitor adsorption. Density Functional Theory (DFT) calculations revealed a smaller energy gap (ΔEgap = 2.965 eV) and higher electron-donating ability (ΔN = 0.450) for the protonated form of TGDBTSC. Monte Carlo (MC) and molecular dynamics (MD) simulations further corroborated the strong adsorption affinity, with adsorption energies of − 180.65 kcal/mol and radial distribution function (RDF) peaks between 1.5 and 3.0 Å, indicative of chemisorption. These findings confirm the potential of TGDBTSC as a highly effective, durable, and thermally stable inhibitor for acid-treated steel corrosion.