Comprehensive Experimental and Theoretical Study on the Adsorption and Corrosion Inhibition Efficiency of Pyronin B for Mild Steel Protection in HCl Solution

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dc.authoridSolmaz, Ramazan/0000-0002-9295-1203
dc.authoridKardas, Gulfeza/0000-0002-7871-6303
dc.authoridKaya, Savas/0000-0002-0765-9751
dc.contributor.authorSolmaz, Ramazan
dc.contributor.authorSalci, Abdullah
dc.contributor.authorDogrubas, Mustafa
dc.contributor.authorDursun, Yesim Aydin
dc.contributor.authorKaya, Savas
dc.contributor.authorBerisha, Avni
dc.contributor.authorKardas, Gulfeza
dc.date.accessioned2025-05-04T16:46:58Z
dc.date.available2025-05-04T16:46:58Z
dc.date.issued2024
dc.departmentSivas Cumhuriyet Üniversitesi
dc.description.abstractMild steel (MS) is one of the most widely used materials in industry. But, this metal corrodes easily, especially in acidic solutions. Therefore, protection of this metal is critical. The use of inhibitors is one of the most practical and economical ways of achieving this. The corrosion inhibition performance of Pyronin B (PyB) for the protection of mild steel (MS) was investigated in 1 M HCl solution using the change of open circuit potential with exposure time (E ocp-t ), potentiodynamic polarization, electrochemical impedance spectroscopy (EIS) and linear polarization resistance (LPR) techniques. The surface of the MS was examined by scanning electron microscopy (SEM), energy dispersive X-ray spectroscopy (EDX), atomic force microscopy (AFM) and contact angle measurements. The electrochemical stability of the PyB film formed on the MS surface was investigated by cyclic voltammetry (CV). The excess surface charge of the metal in the inhibited solution was estimated with the help of EIS studies. The experimental data were supported by theoretical approaches such as density functional theory (DFT) calculations, molecular dynamics (MD) and Monte Carlo simulations. It was found that PyB forms a uniformly distributed, dense, and protective organic film on the steel surface. The PyB molecules interact with the MS surface through a combination of physical and chemical interactions, the latter being dominant. The PyB acts as a mixed-type inhibitor, with a more pronounced effect on the anodic mechanism. Its corrosion inhibition efficiency depends on its concentration, reaching 95.9% efficiency at 0.01 mM. The inhibitor acts as an inhibitor without altering the mechanism of the cathodic reaction and by altering the mechanism of the anodic reaction. The overall corrosion reaction is kinetically controlled. The surface film exhibits very high electrochemical stability under potentiodynamic conditions. Theoretical approaches supported the experimental results and indicated superior inhibitory capability of PyB. The chemical reactivity of the studied inhibitor system was explained in the light of Conceptual Density Functional Theory based calculations and electronic structure principles. The binding energy, which reflects the power of the interaction between Fe(110) surface and PyB, was found to be 3.43 eV. Binding energies calculated by both DFT and MD and MC simulations support that the adsorption of the inhibitor is chemical, as noted in the experimental section.
dc.description.sponsorshipBing?l ?niversitesi [BAP-52-331-2015]; Bingol University Scientific Research Projects Coordination Unit (BUBAP)
dc.description.sponsorshipThis research received financial support from the Bingol University Scientific Research Projects Coordination Unit (BUBAP) (Project Number: BAP-52-331-2015). We express our gratitude to BUBAP and the Bingol University Central Laboratory for characterization experiments.
dc.identifier.doi10.1021/acs.jpcc.4c06003
dc.identifier.endpage21825
dc.identifier.issn1932-7447
dc.identifier.issn1932-7455
dc.identifier.issue51
dc.identifier.scopus2-s2.0-85211981566
dc.identifier.scopusqualityQ1
dc.identifier.startpage21809
dc.identifier.urihttps://doi.org/10.1021/acs.jpcc.4c06003
dc.identifier.urihttps://hdl.handle.net/20.500.12418/35438
dc.identifier.volume128
dc.identifier.wosWOS:001377963000001
dc.identifier.wosqualityQ2
dc.indekslendigikaynakWeb of Science
dc.indekslendigikaynakScopus
dc.language.isoen
dc.publisherAmer Chemical Soc
dc.relation.ispartofJournal of Physical Chemistry C
dc.relation.publicationcategoryMakale - Uluslararası Hakemli Dergi - Kurum Öğretim Elemanı
dc.rightsinfo:eu-repo/semantics/closedAccess
dc.snmzKA_WOS_20250504
dc.subjectHydrochloric-Acid Solution
dc.subjectCarbon-Steel
dc.subjectMonte-Carlo
dc.subjectMolecular-Dynamics
dc.subjectCopper Corrosion
dc.subjectAqueous Extract
dc.subjectLeaves Extract
dc.subjectThin-Films
dc.subjectSurface
dc.subjectDyes
dc.titleComprehensive Experimental and Theoretical Study on the Adsorption and Corrosion Inhibition Efficiency of Pyronin B for Mild Steel Protection in HCl Solution
dc.typeArticle

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