Electrochemical and Theoretical Studies of Novel Synthesized Benzimidazole Derivatives as Corrosion Inhibitors for Carbon Steel in 1 M HC
Autor(a) principal: | |
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Data de Publicação: | 2020 |
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=S0872-19042020000400005 |
Resumo: | New corrosion inhibitors of benzimidazole derivatives, namely: 6-methoxy-2-(((4-methoxy-3,5-dimethylpyridin-2-yl)methyl)sulfinyl)-1-vinyl-1H-benzo(d)imidazole (EMSB), 6-Methoxy-2-(((4-methoxy-3,5-dimethylpyridin-2-yl)methyl)) sulfinyl)-1-(prop-2-yn-1-yl)-1H benzimidazole (MSVB) and 6-methoxy-2-(((4-methoxy-3,5-dimethylpyridin-2-yl)methyl)sulfinyl)-1-(phenacyl)-1-H benzimidazole (MSBP), have been synthesized and their inhibiting action on the corrosion of carbon steel in acidic bath (1 M HCl) has been investigated by various corrosion monitoring techniques, such as weight loss measurement, potentiodynamic polarization, adsorption, electrochemical impedance spectroscopy (EIS) and basic computational calculations. The results of the investigation show that the inhibition efficiency of all the three inhibitors increases with increase in concentration of inhibitors and decreases with increase in temperature. The inhibitors, MSBP, MSVP, and EMSB show corrosion inhibition efficiency of 98, 97 and 93% respectively, at 10-3 M and 303 K. EIS measurements showed an increase of the transfer resistance with the inhibitors concentration. Polarization studies showed that the studied inhibitors are mixed type in nature and the adsorption of benzimidazole is described by the Langmuir isotherm. In addition, density functional theory (DFT) calculations and molecular dynamics simulations (MDS) were undertaken to describe the electronic and adsorption properties of the synthesized inhibitors constituents, including the synergistic/dispersive interactive effects of the multiple adsorptions of the various active constituents in the inhibitor film on the iron surface. Also DFT and Molecular dynamic (MD) simulations were employed to correlate the experimental findings. |
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Electrochemical and Theoretical Studies of Novel Synthesized Benzimidazole Derivatives as Corrosion Inhibitors for Carbon Steel in 1 M HCinhibitioncarbon steelbenzimidazole derivativesacid solutionsDFTmolecular dynamicNew corrosion inhibitors of benzimidazole derivatives, namely: 6-methoxy-2-(((4-methoxy-3,5-dimethylpyridin-2-yl)methyl)sulfinyl)-1-vinyl-1H-benzo(d)imidazole (EMSB), 6-Methoxy-2-(((4-methoxy-3,5-dimethylpyridin-2-yl)methyl)) sulfinyl)-1-(prop-2-yn-1-yl)-1H benzimidazole (MSVB) and 6-methoxy-2-(((4-methoxy-3,5-dimethylpyridin-2-yl)methyl)sulfinyl)-1-(phenacyl)-1-H benzimidazole (MSBP), have been synthesized and their inhibiting action on the corrosion of carbon steel in acidic bath (1 M HCl) has been investigated by various corrosion monitoring techniques, such as weight loss measurement, potentiodynamic polarization, adsorption, electrochemical impedance spectroscopy (EIS) and basic computational calculations. The results of the investigation show that the inhibition efficiency of all the three inhibitors increases with increase in concentration of inhibitors and decreases with increase in temperature. The inhibitors, MSBP, MSVP, and EMSB show corrosion inhibition efficiency of 98, 97 and 93% respectively, at 10-3 M and 303 K. EIS measurements showed an increase of the transfer resistance with the inhibitors concentration. Polarization studies showed that the studied inhibitors are mixed type in nature and the adsorption of benzimidazole is described by the Langmuir isotherm. In addition, density functional theory (DFT) calculations and molecular dynamics simulations (MDS) were undertaken to describe the electronic and adsorption properties of the synthesized inhibitors constituents, including the synergistic/dispersive interactive effects of the multiple adsorptions of the various active constituents in the inhibitor film on the iron surface. Also DFT and Molecular dynamic (MD) simulations were employed to correlate the experimental findings.Sociedade Portuguesa de Electroquímica2020-06-01info:eu-repo/semantics/publishedVersioninfo:eu-repo/semantics/articletext/htmlhttp://scielo.pt/scielo.php?script=sci_arttext&pid=S0872-19042020000400005Portugaliae Electrochimica Acta v.38 n.4 2020reponame: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=S0872-19042020000400005Aoufir,Y. ElBakri,Y. ElChaouiki,A.Lgaz,H.Oudda,H.Salgh,R.Guenbour,A.Essassi,E.M.info:eu-repo/semantics/openAccess2024-02-06T17:07:32Zoai:scielo:S0872-19042020000400005Portal AgregadorONGhttps://www.rcaap.pt/oai/openaireopendoar:71602024-03-20T02:20:26.378784Repositório 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 |
Electrochemical and Theoretical Studies of Novel Synthesized Benzimidazole Derivatives as Corrosion Inhibitors for Carbon Steel in 1 M HC |
title |
Electrochemical and Theoretical Studies of Novel Synthesized Benzimidazole Derivatives as Corrosion Inhibitors for Carbon Steel in 1 M HC |
spellingShingle |
Electrochemical and Theoretical Studies of Novel Synthesized Benzimidazole Derivatives as Corrosion Inhibitors for Carbon Steel in 1 M HC Aoufir,Y. El inhibition carbon steel benzimidazole derivatives acid solutions DFT molecular dynamic |
title_short |
Electrochemical and Theoretical Studies of Novel Synthesized Benzimidazole Derivatives as Corrosion Inhibitors for Carbon Steel in 1 M HC |
title_full |
Electrochemical and Theoretical Studies of Novel Synthesized Benzimidazole Derivatives as Corrosion Inhibitors for Carbon Steel in 1 M HC |
title_fullStr |
Electrochemical and Theoretical Studies of Novel Synthesized Benzimidazole Derivatives as Corrosion Inhibitors for Carbon Steel in 1 M HC |
title_full_unstemmed |
Electrochemical and Theoretical Studies of Novel Synthesized Benzimidazole Derivatives as Corrosion Inhibitors for Carbon Steel in 1 M HC |
title_sort |
Electrochemical and Theoretical Studies of Novel Synthesized Benzimidazole Derivatives as Corrosion Inhibitors for Carbon Steel in 1 M HC |
author |
Aoufir,Y. El |
author_facet |
Aoufir,Y. El Bakri,Y. El Chaouiki,A. Lgaz,H. Oudda,H. Salgh,R. Guenbour,A. Essassi,E.M. |
author_role |
author |
author2 |
Bakri,Y. El Chaouiki,A. Lgaz,H. Oudda,H. Salgh,R. Guenbour,A. Essassi,E.M. |
author2_role |
author author author author author author author |
dc.contributor.author.fl_str_mv |
Aoufir,Y. El Bakri,Y. El Chaouiki,A. Lgaz,H. Oudda,H. Salgh,R. Guenbour,A. Essassi,E.M. |
dc.subject.por.fl_str_mv |
inhibition carbon steel benzimidazole derivatives acid solutions DFT molecular dynamic |
topic |
inhibition carbon steel benzimidazole derivatives acid solutions DFT molecular dynamic |
description |
New corrosion inhibitors of benzimidazole derivatives, namely: 6-methoxy-2-(((4-methoxy-3,5-dimethylpyridin-2-yl)methyl)sulfinyl)-1-vinyl-1H-benzo(d)imidazole (EMSB), 6-Methoxy-2-(((4-methoxy-3,5-dimethylpyridin-2-yl)methyl)) sulfinyl)-1-(prop-2-yn-1-yl)-1H benzimidazole (MSVB) and 6-methoxy-2-(((4-methoxy-3,5-dimethylpyridin-2-yl)methyl)sulfinyl)-1-(phenacyl)-1-H benzimidazole (MSBP), have been synthesized and their inhibiting action on the corrosion of carbon steel in acidic bath (1 M HCl) has been investigated by various corrosion monitoring techniques, such as weight loss measurement, potentiodynamic polarization, adsorption, electrochemical impedance spectroscopy (EIS) and basic computational calculations. The results of the investigation show that the inhibition efficiency of all the three inhibitors increases with increase in concentration of inhibitors and decreases with increase in temperature. The inhibitors, MSBP, MSVP, and EMSB show corrosion inhibition efficiency of 98, 97 and 93% respectively, at 10-3 M and 303 K. EIS measurements showed an increase of the transfer resistance with the inhibitors concentration. Polarization studies showed that the studied inhibitors are mixed type in nature and the adsorption of benzimidazole is described by the Langmuir isotherm. In addition, density functional theory (DFT) calculations and molecular dynamics simulations (MDS) were undertaken to describe the electronic and adsorption properties of the synthesized inhibitors constituents, including the synergistic/dispersive interactive effects of the multiple adsorptions of the various active constituents in the inhibitor film on the iron surface. Also DFT and Molecular dynamic (MD) simulations were employed to correlate the experimental findings. |
publishDate |
2020 |
dc.date.none.fl_str_mv |
2020-06-01 |
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=S0872-19042020000400005 |
url |
http://scielo.pt/scielo.php?script=sci_arttext&pid=S0872-19042020000400005 |
dc.language.iso.fl_str_mv |
eng |
language |
eng |
dc.relation.none.fl_str_mv |
http://scielo.pt/scielo.php?script=sci_arttext&pid=S0872-19042020000400005 |
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.38 n.4 2020 reponame:Repositório Científico de Acesso Aberto de Portugal (Repositórios Cientìficos) instname:Agência para a Sociedade do Conhecimento (UMIC) - FCT - Sociedade da Informação instacron:RCAAP |
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Agência para a Sociedade do Conhecimento (UMIC) - FCT - Sociedade da Informação |
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RCAAP |
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RCAAP |
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Repositório Científico de Acesso Aberto de Portugal (Repositórios Cientìficos) |
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Repositório Científico de Acesso Aberto de Portugal (Repositórios Cientìficos) |
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Repositório Científico de Acesso Aberto de Portugal (Repositórios Cientìficos) - Agência para a Sociedade do Conhecimento (UMIC) - FCT - Sociedade da Informação |
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