The effect of the alkyl chain length on corrosion inhibition performances of 1,2,4-triazole-based compounds for mild steel in 1.0 M HCl: Insights from experimental and theoretical studies

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dc.authoridAslam, Ruby/0000-0002-5622-7883
dc.authoridChung, Il-Moon/0000-0003-0163-7305
dc.authoridMarzouki, Riadh/0000-0002-2502-2164
dc.authoridAbdallah, GUENBOUR/0000-0001-5818-5421
dc.authoridAli, Ismat/0000-0002-6021-1411
dc.authoridEl AOUFIR, yasmina/0009-0007-0834-6769
dc.contributor.authorEl Aoufir, Y.
dc.contributor.authorAslam, R.
dc.contributor.authorLazrak, F.
dc.contributor.authorMarzouki, R.
dc.contributor.authorKaya, S.
dc.contributor.authorSkal, S.
dc.contributor.authorGhanimi, A.
dc.date.accessioned2024-10-26T18:11:34Z
dc.date.available2024-10-26T18:11:34Z
dc.date.issued2020
dc.departmentSivas Cumhuriyet Üniversitesi
dc.description.abstractThe performance of two 1,2,4-triazole derivatives bearing an alkyl chain of variable length named 5-octylsulfanyl-1,2,4-triazole (TR8) and 5-decylsulfanyl-1,2,4-triazole (TR10) against mild steel (MS) corrosion in 1.0 M HCl was first evaluated utilizing experimental methods such as weight loss (WL), electrochemical impedance spectroscopy (EIS) and potentiodynamic polarization (PDP) techniques. Then, theoretical methods like Density Functional Theory (DFT) and molecular dynamics (MD) simulations were used to explore corrosion inhibition mechanisms. Effect of molecules on the MS surface was analyzed by scanning electron microscope (SEM) and atomic force microscopy (AFM). A correlation between corrosion inhibition properties and physicochemical and electronic properties as determined by DFT and MD was demonstrated. 1,2,4-triazole derivatives behave as effective inhibitors for MS corrosion in HCl at all concentrations tested with better efficacy at an optimal concentration of 10(-3) M. The maximum inhibition efficiencies (based on EIS results) were obtained 92% and 88% for TR10 and TR8, respectively. The adsorption is following the Langmuir isotherm model. Theoretical studies clearly showed that differences in carbon chain length alter inhibition performances of inhibitors and were found to be compatible with experimental results. (C) 2020 Elsevier B.V. All rights reserved.
dc.description.sponsorshipDeanship of Scientific Research at King Khalid University [R.G.P.1/150/40]; National Research Foundation of Korea [22A20153813519] Funding Source: Korea Institute of Science & Technology Information (KISTI), National Science & Technology Information Service (NTIS)
dc.description.sponsorshipThe authors extend their appreciation to the Deanship of Scientific Research at King Khalid University for funding this work through research groups program under grant number R.G.P.1/150/40.
dc.identifier.doi10.1016/j.molliq.2020.112631
dc.identifier.issn0167-7322
dc.identifier.issn1873-3166
dc.identifier.scopus2-s2.0-85079275065
dc.identifier.scopusqualityQ1
dc.identifier.urihttps://doi.org/10.1016/j.molliq.2020.112631
dc.identifier.urihttps://hdl.handle.net/20.500.12418/30743
dc.identifier.volume303
dc.identifier.wosWOS:000533612700020
dc.identifier.wosqualityQ1
dc.indekslendigikaynakWeb of Science
dc.indekslendigikaynakScopus
dc.language.isoen
dc.publisherElsevier
dc.relation.ispartofJournal of Molecular Liquids
dc.relation.publicationcategoryMakale - Uluslararası Hakemli Dergi - Kurum Öğretim Elemanı
dc.rightsinfo:eu-repo/semantics/closedAccess
dc.subjectCorrosion inhibition
dc.subject1,2,4-Triazole
dc.subjectMild steel
dc.subjectHCl
dc.subjectMolecular dynamics
dc.subjectDFT
dc.titleThe effect of the alkyl chain length on corrosion inhibition performances of 1,2,4-triazole-based compounds for mild steel in 1.0 M HCl: Insights from experimental and theoretical studies
dc.typeArticle

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