Experimental and theoretical evaluation of the anticorrosive proprieties of new 1,2,3-triazolyl-acridine derivatives
DC Field | Value | Language |
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dc.contributor.author | Fernandes, Caio Machado | - |
dc.contributor.author | Lessa, Renato C.S. | - |
dc.contributor.author | Costa, Dora C.S. | - |
dc.contributor.author | Guedes, Lucas | - |
dc.contributor.author | Martins, Vinicius | - |
dc.contributor.author | Al-Rashdi, Awad A. | - |
dc.contributor.author | Ferreira, Vitor Francisco | - |
dc.contributor.author | Silva, Fernando de C. da | - |
dc.contributor.author | Silva, Júlio César M. | - |
dc.contributor.author | Moraes, Marcela C. de | - |
dc.contributor.author | Lgaz, Hassane | - |
dc.contributor.author | Ponzio, Eduardo A. | - |
dc.date.accessioned | 2023-11-24T02:36:54Z | - |
dc.date.available | 2023-11-24T02:36:54Z | - |
dc.date.issued | 2024-01 | - |
dc.identifier.issn | 1878-5352 | - |
dc.identifier.issn | 1878-5379 | - |
dc.identifier.uri | https://scholarworks.bwise.kr/erica/handle/2021.sw.erica/115733 | - |
dc.description.abstract | Three novel 1,2,3-triazolyl-acridine derivatives (abbreviated as TTA, ATM, and ATA) were synthesized via a fast ultrasound-assisted copper-catalyzed azide-alkyne cycloaddition (CuAAC) in good yields. They were studied as corrosion inhibitors for 1020 mild steel in acidic media (1 mol/L HCl) using gravimetric and electrochemical measurements. Weight Loss Study showed that those molecules have anticorrosive efficiency varying from 85 to 94 % at 1 mmol/L (298 K). They also increased their corrosion mitigation at higher temperatures, reaching up to 90–96 % at 338 K. Isotherm fitting revealed that all developed corrosion inhibitors follow the Langmuir theory and data crossing confirmed the monolayer formation. Atomic Force Microscopy suggested the presence of a protective film on the metal surface and Electrochemical Impedance Spectroscopy, Linear Polarization Resistance, and Electrochemical Frequency Modulation showed a better charge transfer and polarization resistance alongside a lower corrosion current density in the presence of TTA, ATM, and ATA in the corrosive media. Also, polarization curves characterized all three organic molecules as mixed-type corrosion inhibitors for mild steel. First-principles density functional theory (DFT) simulations revealed that all molecules form covalent bonds with iron atoms upon adsorption on Fe(1 1 0) surface. The ATA molecule exhibited a bond-breaking upon adsorption and had a higher interaction energy with the iron surface. The chemical interactions between inhibitors’ molecules and iron atoms were confirmed by projected density of states analysis, showing a strong hybridization between molecules’ orbitals and 3d iron orbitals. | - |
dc.format.extent | 16 | - |
dc.language | 영어 | - |
dc.language.iso | ENG | - |
dc.publisher | King Saud University | - |
dc.title | Experimental and theoretical evaluation of the anticorrosive proprieties of new 1,2,3-triazolyl-acridine derivatives | - |
dc.type | Article | - |
dc.publisher.location | 네델란드 | - |
dc.identifier.doi | 10.1016/j.arabjc.2023.105401 | - |
dc.identifier.scopusid | 2-s2.0-85176145445 | - |
dc.identifier.wosid | 001115028300001 | - |
dc.identifier.bibliographicCitation | Arabian Journal of Chemistry, v.17, no.1, pp 1 - 16 | - |
dc.citation.title | Arabian Journal of Chemistry | - |
dc.citation.volume | 17 | - |
dc.citation.number | 1 | - |
dc.citation.startPage | 1 | - |
dc.citation.endPage | 16 | - |
dc.type.docType | Article | - |
dc.description.isOpenAccess | Y | - |
dc.description.journalRegisteredClass | scie | - |
dc.description.journalRegisteredClass | scopus | - |
dc.relation.journalResearchArea | Chemistry | - |
dc.relation.journalWebOfScienceCategory | Chemistry, Multidisciplinary | - |
dc.subject.keywordPlus | MILD-STEEL CORROSION | - |
dc.subject.keywordPlus | CARBON-STEEL | - |
dc.subject.keywordPlus | INHIBITION | - |
dc.subject.keywordPlus | ADSORPTION | - |
dc.subject.keywordPlus | EXTRACT | - |
dc.subject.keywordPlus | SURFACE | - |
dc.subject.keywordPlus | HCL | - |
dc.subject.keywordPlus | TEMPERATURE | - |
dc.subject.keywordPlus | IMIDAZOLE | - |
dc.subject.keywordPlus | INSIGHTS | - |
dc.subject.keywordAuthor | 1 | - |
dc.subject.keywordAuthor | 2 | - |
dc.subject.keywordAuthor | 3-triazoleAcridineCorrosion inhibitorElectrochemistryDFTBMolecular dynamics | - |
dc.identifier.url | https://www.sciencedirect.com/science/article/pii/S1878535223008638 | - |
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