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<p>Corrosion of metals, particularly E24 steel, in acidic environments remains a major industrial challenge due to the aggressive attack of H<sup>+</sup> ions on the metal surface. In this context, the development of effective, eco-friendly, non-toxic, and easily accessible organic inhibitors has become an important research objective. The novelty of this work lies in the synthesis and evaluation of two new bio-inspired corrosion inhibitors derived from thymol and vanillin, namely 4-(5-((2-isopropyl-5-methylphenoxy) methyl) -4,5-dihydroisoxazol-3-yl) -2-methoxyphenol (TVO) and 5-((2-isopropyl-5-methylphenoxy)methyl) -3-(3-methoxy-4-phenoxyphenyl) -4,5-dihydroisoxazole (TVP). The molecular structures of the synthesized compounds were confirmed using ¹H NMR, ¹³C NMR, and FTIR spectroscopy. Their corrosion inhibition performance for E24 steel in 1&#xa0;M HCl solution was investigated using electrochemical impedance spectroscopy (EIS) and potentiodynamic polarization (PDP) measurements. The electrochemical results showed that both compounds act as efficient corrosion inhibitors, reaching maximum inhibition efficiencies of 86.72% for TVO and 89.25% for TVP. The higher performance of TVP indicates its stronger adsorption ability and better protective effect on the steel surface. Surface analyses using scanning electron microscopy coupled with energy-dispersive X-ray spectroscopy (SEM–EDS) confirmed the formation of a protective adsorbed layer on the E24 steel surface. Since TVP exhibited the best inhibition efficiency, it was selected for further investigations concerning the effects of temperature and immersion time on its inhibitory behavior. Theoretical studies based on density functional theory (DFT) and density-functional tight-binding (DFTB) calculations supported the experimental findings by confirming strong electronic interactions between TVP and the steel surface, leading to stable adsorption and effective corrosion protection. Overall, this study demonstrates that thymol–vanillin-based isoxazole derivatives, particularly TVP, are promising sustainable organic inhibitors for the protection of E24 steel in acidic media.</p> Graphical Abstract <p></p>

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Vanillin-Modified Thymol as a Corrosion Inhibitor for E24 Carbon Steel in Acidic Medium: A Computational and Experimental Study

  • 期刊论文

  • 发表日期：

    2026年7月17日

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  • Hassan Haddouchy,
  • Saliha Loughmari,
  • Abdelkarim Ait Mansour,
  • Mourad Addich,
  • Rachid Salghi,
  • Abdelaziz El Bouadili,
  • Hassan Laouane,
  • Abdelilah Chtaini,
  • Abdelatif Makayssi,
  • Salah Eddine El Qouatli

摘要

Corrosion of metals, particularly E24 steel, in acidic environments remains a major industrial challenge due to the aggressive attack of H+ ions on the metal surface. In this context, the development of effective, eco-friendly, non-toxic, and easily accessible organic inhibitors has become an important research objective. The novelty of this work lies in the synthesis and evaluation of two new bio-inspired corrosion inhibitors derived from thymol and vanillin, namely 4-(5-((2-isopropyl-5-methylphenoxy) methyl) -4,5-dihydroisoxazol-3-yl) -2-methoxyphenol (TVO) and 5-((2-isopropyl-5-methylphenoxy)methyl) -3-(3-methoxy-4-phenoxyphenyl) -4,5-dihydroisoxazole (TVP). The molecular structures of the synthesized compounds were confirmed using ¹H NMR, ¹³C NMR, and FTIR spectroscopy. Their corrosion inhibition performance for E24 steel in 1 M HCl solution was investigated using electrochemical impedance spectroscopy (EIS) and potentiodynamic polarization (PDP) measurements. The electrochemical results showed that both compounds act as efficient corrosion inhibitors, reaching maximum inhibition efficiencies of 86.72% for TVO and 89.25% for TVP. The higher performance of TVP indicates its stronger adsorption ability and better protective effect on the steel surface. Surface analyses using scanning electron microscopy coupled with energy-dispersive X-ray spectroscopy (SEM–EDS) confirmed the formation of a protective adsorbed layer on the E24 steel surface. Since TVP exhibited the best inhibition efficiency, it was selected for further investigations concerning the effects of temperature and immersion time on its inhibitory behavior. Theoretical studies based on density functional theory (DFT) and density-functional tight-binding (DFTB) calculations supported the experimental findings by confirming strong electronic interactions between TVP and the steel surface, leading to stable adsorption and effective corrosion protection. Overall, this study demonstrates that thymol–vanillin-based isoxazole derivatives, particularly TVP, are promising sustainable organic inhibitors for the protection of E24 steel in acidic media.

Graphical Abstract