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<p>This study reports the synthesis and evaluation of diglycidyl benzylidene-carbamide (DGBC), a novel epoxy compound for mild steel protection in 1 M HCl. Electrochemical methods (PDP, EIS), surface analysis (SEM), and theoretical studies (DFT, MD) confirmed its high efficiency. DGBC achieved 96.6% inhibition at 10⁻<sup>3</sup> M, reducing i<sub>corr</sub> from 983 to 33 μA/cm<sup>2</sup> and increasing R<sub>ct</sub> from 34.7 to 538.7 Ω·cm<sup>2</sup>. Computational results revealed strong adsorption of protonated DGBC (DGBC-H⁺) on Fe(110) with higher adsorption energy (–170.75 kcal/mol) and lower energy gap (3.186 eV) than the neutral form. RDF analysis indicated O–Fe chemisorption (2.79–2.81 Å) and N–Fe partial physisorption (3.51–3.77 Å), corroborating robust inhibitor–metal interactions.</p> Graphical Abstract <p></p>

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Diglycidyl benzylidene-carbamide as a high-performance protective agent for metal in acidic environments: Experimental and computational study

  • 期刊论文

  • 发表日期：

    2025年10月15日

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

摘要

This study reports the synthesis and evaluation of diglycidyl benzylidene-carbamide (DGBC), a novel epoxy compound for mild steel protection in 1 M HCl. Electrochemical methods (PDP, EIS), surface analysis (SEM), and theoretical studies (DFT, MD) confirmed its high efficiency. DGBC achieved 96.6% inhibition at 10⁻3 M, reducing icorr from 983 to 33 μA/cm2 and increasing Rct from 34.7 to 538.7 Ω·cm2. Computational results revealed strong adsorption of protonated DGBC (DGBC-H⁺) on Fe(110) with higher adsorption energy (–170.75 kcal/mol) and lower energy gap (3.186 eV) than the neutral form. RDF analysis indicated O–Fe chemisorption (2.79–2.81 Å) and N–Fe partial physisorption (3.51–3.77 Å), corroborating robust inhibitor–metal interactions.

Graphical Abstract