Electrochemical and Computational Studies on the Corrosion Inhibition of Mild Steel by 1-Hexadecyl-3-methylimidazolium Bromide in HCl Medium

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dc.authoridGuo, Lei/0000-0001-7849-9583
dc.authoridZhang, Fan/0000-0001-5180-9895
dc.contributor.authorTan, Jianhong
dc.contributor.authorGuo, Lei
dc.contributor.authorWu, Dan
dc.contributor.authorWang, Shanfei
dc.contributor.authorYu, Rongrong
dc.contributor.authorZhang, Fan
dc.contributor.authorKaya, Savas
dc.date.accessioned2024-10-26T18:09:57Z
dc.date.available2024-10-26T18:09:57Z
dc.date.issued2020
dc.departmentSivas Cumhuriyet Üniversitesi
dc.description.abstractAn imidazolium-based ionic liquid, i.e., 1-Hexadecyl-3-methylimidazolium Bromide (HMIBr), was investigated as a corrosion inhibitor candidate for mild steel in 1 M HCl medium using combined electrochemical and molecular simulation methods. Potentiodynamic polarization results show that HMIBr is a mixed-type inhibitor and suppresses the corrosion process effectively at optimum concentration 10(-3) M with 96.9% inhibition efficiency. Electrochemical impedance spectroscopy (EIS) analysis indicated an increase in the charge transfer resistance with enhance of inhibitor concentration, and confirmed the adsorption of HMIBr on the iron surface. Moreover, density functional theory (DFT) calculations, Monte Carlo as well as molecular dynamics simulations were employed to obtain further insights into the antiseptic mechanism. Our findings have important guiding significance for understanding the corrosion inhibition mechanism and designing new ionic liquid-based inhibitor molecules.
dc.description.sponsorshipNational Natural Science Foundation of China [21706195]; student's platform for innovation and entrepreneurship training program [S201910647028, 20195200501]
dc.description.sponsorshipThis research was sponsored by the National Natural Science Foundation of China (21706195), and the student's platform for innovation and entrepreneurship training program (S201910647028, 20195200501).
dc.identifier.doi10.20964/2020.03.36
dc.identifier.endpage1903
dc.identifier.issn1452-3981
dc.identifier.issue3
dc.identifier.scopus2-s2.0-85082101974
dc.identifier.scopusqualityQ3
dc.identifier.startpage1893
dc.identifier.urihttps://doi.org/10.20964/2020.03.36
dc.identifier.urihttps://hdl.handle.net/20.500.12418/30357
dc.identifier.volume15
dc.identifier.wosWOS:000519545900002
dc.identifier.wosqualityQ4
dc.indekslendigikaynakWeb of Science
dc.indekslendigikaynakScopus
dc.language.isoen
dc.publisherEsg
dc.relation.ispartofInternational Journal of Electrochemical Science
dc.relation.publicationcategoryMakale - Uluslararası Hakemli Dergi - Kurum Öğretim Elemanı
dc.rightsinfo:eu-repo/semantics/openAccess
dc.subjectIonic liquid
dc.subjectMild steel
dc.subjectCorrosion inhibitor
dc.subjectElectrochemical
dc.subjectMolecular simulation
dc.titleElectrochemical and Computational Studies on the Corrosion Inhibition of Mild Steel by 1-Hexadecyl-3-methylimidazolium Bromide in HCl Medium
dc.typeArticle

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