Corrosion inhibition of mild steel in acidic media using benzimidazolium salts: An experimental and computational approach

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dc.contributor.authorAzghay, Issam
dc.contributor.authorDikici, Burak
dc.contributor.authorZannagui, Chahid
dc.contributor.authorDalouh, Mounia
dc.contributor.authorAktas, Aydin
dc.contributor.authorGok, Yetkin
dc.contributor.authorLahhit, Amin
dc.date.accessioned2026-04-04T13:35:10Z
dc.date.available2026-04-04T13:35:10Z
dc.date.issued2025
dc.departmentİnönü Üniversitesi
dc.description.abstractThis study investigates and compares the corrosion inhibition performance of two benzimidazolium salts (BIS1 and BIS2), previously synthesized by Albayrak et al. and Sar & imath; et al., respectively. These inhibitors were tested in a 1 M hydrochloric acid solution on mild steel. The two compounds differ in their substituents: BIS1 features an electron-donating group, whereas BIS2 contains an electron-accepting substituent. Electrochemical methods, including potentiodynamic polarization (PDP), electrochemical impedance spectroscopy (EIS), and weight-loss measurements, consistently demonstrated superior inhibition efficiency for BIS1, exceeding 95 % at 10-3 M concentration. The performance disparity between BIS1 and BIS2 further increased with rising temperatures. Surface characterization by scanning electron microscopy (SEM), energy dispersive X-ray spectrometer (EDX), atomic force microscopy (AFM), and X-ray Photoelectron Spectroscopy revealed that BIS1 forms a denser and more adherent protective film on the steel surface. Molecular modeling techniques, including Density Functional Theory (DFT), Tight-binding DFT (DFTB), and Molecular Dynamics (MD) simulations, provided further insights, showing that the enhanced performance of BIS1 is primarily attributed to its higher HOMO energy, facilitating stronger chemisorption via electron donation to the metal surface. These findings challenge the conventional understanding of purely electrostatic adsorption for cationic inhibitors and underscore the significant potential of substituted benzimidazolium salts as efficient corrosion inhibitors.
dc.identifier.doi10.1016/j.colsurfa.2025.137815
dc.identifier.issn0927-7757
dc.identifier.issn1873-4359
dc.identifier.orcid0009-0008-5118-044X
dc.identifier.orcid0000-0002-3056-1840
dc.identifier.orcid0000-0002-7249-923X
dc.identifier.orcid0000-0003-0310-5564
dc.identifier.scopus2-s2.0-105011261910
dc.identifier.scopusqualityQ1
dc.identifier.urihttps://doi.org/10.1016/j.colsurfa.2025.137815
dc.identifier.urihttps://hdl.handle.net/11616/109671
dc.identifier.volume726
dc.identifier.wosWOS:001543363100002
dc.identifier.wosqualityQ2
dc.indekslendigikaynakWeb of Science
dc.indekslendigikaynakScopus
dc.language.isoen
dc.publisherElsevier
dc.relation.ispartofColloids and Surfaces A-Physicochemical and Engineering Aspects
dc.relation.publicationcategoryMakale - Uluslararası Hakemli Dergi - Kurum Öğretim Elemanı
dc.rightsinfo:eu-repo/semantics/closedAccess
dc.snmzKA_WOS_20250329
dc.subjectBenzimidazolium salts
dc.subjectCorrosion inhibition
dc.subjectElectrochemical tests
dc.subjectSurface analysis
dc.subjectComputational calculations
dc.titleCorrosion inhibition of mild steel in acidic media using benzimidazolium salts: An experimental and computational approach
dc.typeArticle

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