A Unmasking the Latent Roles of a Novel Schiff Base Pyran-2-One Derivative as Corrosion Inhibitors for Xc38 Steel in Acidic Conditions: Electrochemical and Computational Studies


Rachedi K. O., Ferkous H., Ghouafria I., Bezzina B., Berredjem M., Sedik A., ...Daha Fazla

ChemistrySelect, cilt.11, sa.10, 2026 (SCI-Expanded, Scopus) identifier identifier

  • Yayın Türü: Makale / Tam Makale
  • Cilt numarası: 11 Sayı: 10
  • Basım Tarihi: 2026
  • Doi Numarası: 10.1002/slct.202505060
  • Dergi Adı: ChemistrySelect
  • Derginin Tarandığı İndeksler: Science Citation Index Expanded (SCI-EXPANDED), Scopus, Chemical Abstracts Core
  • Anahtar Kelimeler: corrosion inhibitor, COSMO-RS, DFT, Monte Carlo simulation, Schiff base
  • Çanakkale Onsekiz Mart Üniversitesi Adresli: Evet

Özet

With the increasing focus on environmental concerns, the development of sustainable corrosion inhibitors has emerged as a significant area of research. The present work addresses a newly synthesized Schiff base's ability to reduce corrosion, 4-hydroxy-3-{1-[(4-carboxy phenyl)imino]ethyl}-6-methyl-2H-pyran-2-one, for XC38 carbon steel in a 1 M HCl solution. To assess its effectiveness, various experimental techniques were employed, encompassing electrochemical evaluations, and surface assessment methods (SEM, AFM). The results showed that the Schiff base exhibited a high level of inhibitory power of 93.63% at 400 ppm, functioning as a mixed-type inhibitor by influencing both cathodic and anodic processes. Surface analysis confirmed the formation of a protective layer that effectively reduced corrosion in acidic media. Moreover, computational studies, including Density Functional Theory (DFT) calculations, COSMO-RS analysis, Monte Carlo simulations, and Radial Distribution Function (RDF) analysis, confirmed the experimental results by demonstrating strong inhibitor adsorption on the steel surface. These results highlight the Schiff base's effectiveness as a durable corrosion inhibitor for industrial applications.