New triazepine carboxylate derivatives: correlation between corrosion inhibition property and chemical structure

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dc.authoridSERRAR, Houda/0000-0002-6952-9063
dc.authorid, galai/0000-0003-3199-9403
dc.authoridYounes, EL KACIMI/0000-0002-8662-4644
dc.authoridAlaoui, khaoula/0000-0003-1269-1796
dc.authoridEbn Touhami, Mohamed/0009-0003-6383-8230
dc.contributor.authorAlaoui, K.
dc.contributor.authorEl Kacimi, Y.
dc.contributor.authorGalai, M.
dc.contributor.authorSerrar, H.
dc.contributor.authorTouir, R.
dc.contributor.authorKaya, S.
dc.contributor.authorKaya, C.
dc.date.accessioned2024-10-26T18:07:25Z
dc.date.available2024-10-26T18:07:25Z
dc.date.issued2020
dc.departmentSivas Cumhuriyet Üniversitesi
dc.description.abstractIn this investigation, attempts have been made to study the corrosion inhibition properties of three new triazepine carboxylate compounds for mild steel in 1.0 M hydrochloric acid medium. The evaluation was carried out using mass loss, electrochemical impedance spectroscopy and polarization curves measurement. Impedance diagrams and Bode plots for uninhibited and inhibited systems were analyzed using Zview program. The fitted data observed trails in nearly the same pattern as the experimental results. It is showed that triazepine carboxylate compounds are very good inhibitors for mild steel corrosion in 1.0 M hydrochloric acid medium which act as mixed-type inhibitors. So, the inhibition efficiency was increased with inhibitor concentration in the order Cl-Me-CN > Me-CN > Cl-Me-CO2Et which depended on their molecular structures. Electrochemical impedance spectroscopy showed that all compounds act by the formation of a protective film at the metal surface. Surface analyses via SEM and Optical 3D profilometry were used to investigate the morphology of the steels before and after immersion in 1.0 M HCl solution containing inhibitors. The correspondence between inhibition property and molecular structure of the triazepine carboxylate compounds was investigated, using density functional theory (DFT). Experimental and DFT study was further supported by molecular dynamic simulations study.
dc.identifier.doi10.1007/s40090-019-00199-5
dc.identifier.endpage42
dc.identifier.issn2228-5970
dc.identifier.issn2228-5547
dc.identifier.issue1
dc.identifier.scopus2-s2.0-85077597016
dc.identifier.scopusqualityQ2
dc.identifier.startpage23
dc.identifier.urihttps://doi.org/10.1007/s40090-019-00199-5
dc.identifier.urihttps://hdl.handle.net/20.500.12418/29474
dc.identifier.volume11
dc.identifier.wosWOS:000505433300001
dc.identifier.wosqualityN/A
dc.indekslendigikaynakWeb of Science
dc.indekslendigikaynakScopus
dc.language.isoen
dc.publisherSpringer Heidelberg
dc.relation.ispartofInternational Journal of Industrial Chemistry
dc.relation.publicationcategoryMakale - Uluslararası Hakemli Dergi - Kurum Öğretim Elemanı
dc.rightsinfo:eu-repo/semantics/openAccess
dc.subjectOrganic compounds
dc.subjectTriazepine carboxylate derivatives
dc.subjectMolecular dynamics
dc.subjectAb initio calculations
dc.subjectComputer modeling and simulation
dc.subjectCorrosion inhibition
dc.subjectSEM
dc.subjectOptical 3D profilometry
dc.titleNew triazepine carboxylate derivatives: correlation between corrosion inhibition property and chemical structure
dc.typeArticle

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