Experimental and theoretical approach for novel imidazolium ionic liquids as Smart Corrosion inhibitors for mild steel in 1.0 M hydrochloric acid

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dc.authoridECH-CHIHBI, Elhachmia/0000-0003-3885-1153
dc.contributor.authorNahle, A.
dc.contributor.authorSalim, R.
dc.contributor.authorEL Hajjaji, F.
dc.contributor.authorEch-chihbi, E.
dc.contributor.authorTiti, A.
dc.contributor.authorMessali, M.
dc.contributor.authorKaya, S.
dc.date.accessioned2024-10-26T18:11:04Z
dc.date.available2024-10-26T18:11:04Z
dc.date.issued2022
dc.departmentSivas Cumhuriyet Üniversitesi
dc.description.abstract3-(4-hydroxybutyl)-1-phenethyl-1H-imidazol-3-ium chloride ([HB-Imid] Cl), and 3-(2-c hlorobenzyl)-1-phenethyl-1H-imidazol-3-ium chloride ([CB-Imid] Cl) were investigated as corrosion inhibitors for mild steel in 1.0 M hydrochloric acid solution. Electrochemical techniques (PDP and EIS) were performed as experimental studies while DFT at B3LYP 6-311G (df,pd), and molecular dynamic simulation were used as theoretical approach. PDP experiments revealed that the studied ionic liquids (ILs) behaved as mixture type inhibitors. EIS results indicated that these compounds showed good inhibition performance with inhibition efficiency around 95% at the optimum concentration of 1.0 x 10-3 M. According to Langmuir isotherm model and the thermodynamic parameters, these ILs were adsorbed onto the mild steel surface through physical and chemical bonds. SEM and EDX examinations proved the formation of a protective layer of adsorbed inhibitors at the steel surface. The DFT/B3LYP/6-311G(df,pd) computations in both the gas and water environments disclosed that [HB-Imid] Cl molecule was softer and had a lower energy gap, electrodonating power, and polarizability indexes.(c) 2022 The Author(s). Published by Elsevier B.V. on behalf of King Saud University. This is an open access article under the CC BY-NC-ND license (http://creativecommons.org/licenses/by-nc-nd/4.0/).
dc.identifier.doi10.1016/j.arabjc.2022.103967
dc.identifier.issn1878-5352
dc.identifier.issn1878-5379
dc.identifier.issue8
dc.identifier.scopus2-s2.0-85131423706
dc.identifier.scopusqualityQ1
dc.identifier.urihttps://doi.org/10.1016/j.arabjc.2022.103967
dc.identifier.urihttps://hdl.handle.net/20.500.12418/30486
dc.identifier.volume15
dc.identifier.wosWOS:000811700500010
dc.identifier.wosqualityQ2
dc.indekslendigikaynakWeb of Science
dc.indekslendigikaynakScopus
dc.language.isoen
dc.publisherElsevier
dc.relation.ispartofArabian Journal of Chemistry
dc.relation.publicationcategoryMakale - Uluslararası Hakemli Dergi - Kurum Öğretim Elemanı
dc.rightsinfo:eu-repo/semantics/openAccess
dc.subjectIonic liquids
dc.subjectInhibition performance
dc.subjectAdsorption
dc.subjectDFT method
dc.subjectMild steel
dc.subjectmolecular dynamic simulation
dc.titleExperimental and theoretical approach for novel imidazolium ionic liquids as Smart Corrosion inhibitors for mild steel in 1.0 M hydrochloric acid
dc.typeArticle

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