Corrosion Inhibitive Potentials of Some N-Alkyl Benzimidazoles and their Corresponding Ionic Liquids on a Mild Steel Surface: Experimental and Theoretical Approach
Autor(a) principal: | |
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Data de Publicação: | 2023 |
Outros Autores: | , , |
Tipo de documento: | Artigo |
Idioma: | eng |
Título da fonte: | Repositório Científico de Acesso Aberto de Portugal (Repositórios Cientìficos) |
Texto Completo: | http://scielo.pt/scielo.php?script=sci_arttext&pid=S0872-19042023000500363 |
Resumo: | Abstract U2 and U4 were successfully synthesized from C7H6N2 N-alkylation (general and useful route to quaternary ammonium salts NH4Cl from tertiary amines) with alkyl bromides. The products were further alkylated to the corresponding ILs: U5 and U7. All the synthesized compounds were characterized by spectroscopic techniques, and their compositions were established through elemental analysis. The synthesized compounds were investigated as inhibitors for MS corrosion, using 1 M HCl as a model solution. WL experiments, surface analysis, quantum chemical calculations and MD simulation methods were used for evaluating the inhibitors anticorrosion properties. The results showed that ILs possessed remarkable inhibition properties under the studied conditions. U5 displayed the highest IE of 95.22%, at 200 ppm. ILs corrosion IE(%) was ascribed to their adsorption onto the MS surfaces, which followed the Langmuir’s isotherm. SEM revealed the formation of a barrier film by the inhibitors on the MS surface. Finally, the experimental results were corroborated by theoretical quantum chemical calculations and MD simulation studies. The studied inhibitor molecules interaction energies with the Fe surface followed the order U5 > U7 > U2 > U4, which is consistent with the experimental data. |
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Corrosion Inhibitive Potentials of Some N-Alkyl Benzimidazoles and their Corresponding Ionic Liquids on a Mild Steel Surface: Experimental and Theoretical Approachcorrosion inhibitionILs, MD simulationsMSN-alkylbenzimidazolesquantum chemical calculationsSEMAbstract U2 and U4 were successfully synthesized from C7H6N2 N-alkylation (general and useful route to quaternary ammonium salts NH4Cl from tertiary amines) with alkyl bromides. The products were further alkylated to the corresponding ILs: U5 and U7. All the synthesized compounds were characterized by spectroscopic techniques, and their compositions were established through elemental analysis. The synthesized compounds were investigated as inhibitors for MS corrosion, using 1 M HCl as a model solution. WL experiments, surface analysis, quantum chemical calculations and MD simulation methods were used for evaluating the inhibitors anticorrosion properties. The results showed that ILs possessed remarkable inhibition properties under the studied conditions. U5 displayed the highest IE of 95.22%, at 200 ppm. ILs corrosion IE(%) was ascribed to their adsorption onto the MS surfaces, which followed the Langmuir’s isotherm. SEM revealed the formation of a barrier film by the inhibitors on the MS surface. Finally, the experimental results were corroborated by theoretical quantum chemical calculations and MD simulation studies. The studied inhibitor molecules interaction energies with the Fe surface followed the order U5 > U7 > U2 > U4, which is consistent with the experimental data.Sociedade Portuguesa de Electroquímica2023-10-01info:eu-repo/semantics/publishedVersioninfo:eu-repo/semantics/articletext/htmlhttp://scielo.pt/scielo.php?script=sci_arttext&pid=S0872-19042023000500363Portugaliae Electrochimica Acta v.41 n.5 2023reponame:Repositório Científico de Acesso Aberto de Portugal (Repositórios Cientìficos)instname:Agência para a Sociedade do Conhecimento (UMIC) - FCT - Sociedade da Informaçãoinstacron:RCAAPenghttp://scielo.pt/scielo.php?script=sci_arttext&pid=S0872-19042023000500363Suleiman,Umar B.Yunusa,UmarMuhammad,AminuIbrahim,Mansur B.info:eu-repo/semantics/openAccess2024-02-06T17:07:41Zoai:scielo:S0872-19042023000500363Portal AgregadorONGhttps://www.rcaap.pt/oai/openaireopendoar:71602024-03-20T02:20:31.136142Repositório Científico de Acesso Aberto de Portugal (Repositórios Cientìficos) - Agência para a Sociedade do Conhecimento (UMIC) - FCT - Sociedade da Informaçãofalse |
dc.title.none.fl_str_mv |
Corrosion Inhibitive Potentials of Some N-Alkyl Benzimidazoles and their Corresponding Ionic Liquids on a Mild Steel Surface: Experimental and Theoretical Approach |
title |
Corrosion Inhibitive Potentials of Some N-Alkyl Benzimidazoles and their Corresponding Ionic Liquids on a Mild Steel Surface: Experimental and Theoretical Approach |
spellingShingle |
Corrosion Inhibitive Potentials of Some N-Alkyl Benzimidazoles and their Corresponding Ionic Liquids on a Mild Steel Surface: Experimental and Theoretical Approach Suleiman,Umar B. corrosion inhibition ILs, MD simulations MS N-alkylbenzimidazoles quantum chemical calculations SEM |
title_short |
Corrosion Inhibitive Potentials of Some N-Alkyl Benzimidazoles and their Corresponding Ionic Liquids on a Mild Steel Surface: Experimental and Theoretical Approach |
title_full |
Corrosion Inhibitive Potentials of Some N-Alkyl Benzimidazoles and their Corresponding Ionic Liquids on a Mild Steel Surface: Experimental and Theoretical Approach |
title_fullStr |
Corrosion Inhibitive Potentials of Some N-Alkyl Benzimidazoles and their Corresponding Ionic Liquids on a Mild Steel Surface: Experimental and Theoretical Approach |
title_full_unstemmed |
Corrosion Inhibitive Potentials of Some N-Alkyl Benzimidazoles and their Corresponding Ionic Liquids on a Mild Steel Surface: Experimental and Theoretical Approach |
title_sort |
Corrosion Inhibitive Potentials of Some N-Alkyl Benzimidazoles and their Corresponding Ionic Liquids on a Mild Steel Surface: Experimental and Theoretical Approach |
author |
Suleiman,Umar B. |
author_facet |
Suleiman,Umar B. Yunusa,Umar Muhammad,Aminu Ibrahim,Mansur B. |
author_role |
author |
author2 |
Yunusa,Umar Muhammad,Aminu Ibrahim,Mansur B. |
author2_role |
author author author |
dc.contributor.author.fl_str_mv |
Suleiman,Umar B. Yunusa,Umar Muhammad,Aminu Ibrahim,Mansur B. |
dc.subject.por.fl_str_mv |
corrosion inhibition ILs, MD simulations MS N-alkylbenzimidazoles quantum chemical calculations SEM |
topic |
corrosion inhibition ILs, MD simulations MS N-alkylbenzimidazoles quantum chemical calculations SEM |
description |
Abstract U2 and U4 were successfully synthesized from C7H6N2 N-alkylation (general and useful route to quaternary ammonium salts NH4Cl from tertiary amines) with alkyl bromides. The products were further alkylated to the corresponding ILs: U5 and U7. All the synthesized compounds were characterized by spectroscopic techniques, and their compositions were established through elemental analysis. The synthesized compounds were investigated as inhibitors for MS corrosion, using 1 M HCl as a model solution. WL experiments, surface analysis, quantum chemical calculations and MD simulation methods were used for evaluating the inhibitors anticorrosion properties. The results showed that ILs possessed remarkable inhibition properties under the studied conditions. U5 displayed the highest IE of 95.22%, at 200 ppm. ILs corrosion IE(%) was ascribed to their adsorption onto the MS surfaces, which followed the Langmuir’s isotherm. SEM revealed the formation of a barrier film by the inhibitors on the MS surface. Finally, the experimental results were corroborated by theoretical quantum chemical calculations and MD simulation studies. The studied inhibitor molecules interaction energies with the Fe surface followed the order U5 > U7 > U2 > U4, which is consistent with the experimental data. |
publishDate |
2023 |
dc.date.none.fl_str_mv |
2023-10-01 |
dc.type.status.fl_str_mv |
info:eu-repo/semantics/publishedVersion |
dc.type.driver.fl_str_mv |
info:eu-repo/semantics/article |
format |
article |
status_str |
publishedVersion |
dc.identifier.uri.fl_str_mv |
http://scielo.pt/scielo.php?script=sci_arttext&pid=S0872-19042023000500363 |
url |
http://scielo.pt/scielo.php?script=sci_arttext&pid=S0872-19042023000500363 |
dc.language.iso.fl_str_mv |
eng |
language |
eng |
dc.relation.none.fl_str_mv |
http://scielo.pt/scielo.php?script=sci_arttext&pid=S0872-19042023000500363 |
dc.rights.driver.fl_str_mv |
info:eu-repo/semantics/openAccess |
eu_rights_str_mv |
openAccess |
dc.format.none.fl_str_mv |
text/html |
dc.publisher.none.fl_str_mv |
Sociedade Portuguesa de Electroquímica |
publisher.none.fl_str_mv |
Sociedade Portuguesa de Electroquímica |
dc.source.none.fl_str_mv |
Portugaliae Electrochimica Acta v.41 n.5 2023 reponame:Repositório Científico de Acesso Aberto de Portugal (Repositórios Cientìficos) instname:Agência para a Sociedade do Conhecimento (UMIC) - FCT - Sociedade da Informação instacron:RCAAP |
instname_str |
Agência para a Sociedade do Conhecimento (UMIC) - FCT - Sociedade da Informação |
instacron_str |
RCAAP |
institution |
RCAAP |
reponame_str |
Repositório Científico de Acesso Aberto de Portugal (Repositórios Cientìficos) |
collection |
Repositório Científico de Acesso Aberto de Portugal (Repositórios Cientìficos) |
repository.name.fl_str_mv |
Repositório Científico de Acesso Aberto de Portugal (Repositórios Cientìficos) - Agência para a Sociedade do Conhecimento (UMIC) - FCT - Sociedade da Informação |
repository.mail.fl_str_mv |
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1799137292537823232 |