A theoretical and experimental investigation using a multi-criteria decision-making approach to investigate the use of oak cupule biomass as a sustainable corrosion inhibitor for mild steel in acidic solution

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dc.authorid0000-0002-2659-6709
dc.contributor.authorŞişmanoğlu, Sedef
dc.contributor.authorMert, Mehmet Erman
dc.contributor.authorDoğru Mert, Başak
dc.contributor.authorAbdulvahitoğlu, Adnan
dc.contributor.authorid382420
dc.date.accessioned2025-09-10T07:27:01Z
dc.date.available2025-09-10T07:27:01Z
dc.date.issued2025-08
dc.departmentFakülteler, Mühendislik, Mimarlık ve Tasarım Fakültesi, Endüstri Mühendisliği Bölümü
dc.descriptionScience Citation Index Expanded (SCI-EXPANDED)
dc.description.abstractThis study investigates adsorption mechanism and inhibition efficiency of oak cupule (OC) biomass on mild steel (MS) corrosion in an acidic medium through quantum chemical calculations and electrochemical analysis. The chemical composition of OC was characterized using FTIR-ATR, mass spectrometry, and UV–Vis spectroscopy. Electrochemical impedance spectroscopy was conducted at varying inhibitor concentrations, complemented by surface morphology analysis via SEM and contact angle measurements after 168 h of immersion. At 250 ppm, the inhibition efficiency reached 92.5 %, attributed to the presence of tannins and polyphenolic compounds. Adsorption followed the Langmuir isotherm, with an equilibrium constant of 2.36 L mg−1 and a Gibbs free energy change of −12.08 kJ mol−1. Contact angle measurements indicated increased hydrophobicity due to the formation of protective layer. Potential of zero charge (PZC) analysis confirmed electrostatic interactions between OC molecules and the positively charged MS surface in 0.5 M HCl. Molecular insights were obtained using Density Functional Theory (DFT) with the B3LYP/6–311++G(d,p) method, revealing electronic properties such as frontier molecular orbital energies, energy gap and atomic charges. The optimum result was determined by analyzing the experimental findings at different inhibitor concentrations and different durations using Multi Criteria Decision Making (MCDM) methods. It was found that scenario S5 provided the optimum result.
dc.identifier.citationŞişmanoğlu, S., Mert, M.E., Doğru Mert, B. & Abdulvahitoğlu, A. (2025). A theoretical and experimental investigation using a multi-criteria decision-making approach to investigate the use of oak cupule biomass as a sustainable corrosion inhibitor for mild steel in acidic solution. Materials Chemistry and Physics, 347, 1-15. https://doi.org/10.1016/j.matchemphys.2025.131504
dc.identifier.doi10.1016/j.matchemphys.2025.131504
dc.identifier.eissn1879-3312
dc.identifier.endpage15
dc.identifier.issn0254-0584
dc.identifier.startpage1
dc.identifier.urihttps://dspace.mudanya.edu.tr/handle/20.500.14362/347
dc.identifier.volume347
dc.identifier.wosqualityQ2
dc.institutionauthorAbdulvahitoğlu, Adnan
dc.language.isoen
dc.publisherElsevier
dc.relation.journalMaterials Chemistry and Physics
dc.relation.publicationcategoryMakale- Uluslararası- Hakemli Dergi- Kurum Öğretim Elemanı
dc.rightsinfo:eu-repo/semantics/closedAccess
dc.subjectOak cupule
dc.subjectGreen inhibitor
dc.subjectCorrosion
dc.subjectDFTM
dc.subjectCDM
dc.titleA theoretical and experimental investigation using a multi-criteria decision-making approach to investigate the use of oak cupule biomass as a sustainable corrosion inhibitor for mild steel in acidic solution
dc.typeMakale
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