Structure-Corrosion Inhibition Performance Relationship: Application to Some Natural Free Acids and Antioxidants
Autor(a) principal: | |
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Data de Publicação: | 2018 |
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=S0872-19042018000100003 |
Resumo: | The inhibition of mild steel corrosion in a 1 M HCl solution by some natural free acids and antioxidants has been investigated by weight loss measurement, potentiodynamic polarization and DFT calculations. The experimental results have shown that these compounds exhibited a good corrosion inhibition. The inhibition efficiency increased with the inhibitor concentration. The adsorption of the inhibitor molecules onto the metal surface was found to respond to Langmuir adsorption isotherm for ascorbic, oleic and stearic acids, and to Temkin adsorption isotherm for palmitic acid. Tafel plot analysis revealed that these compounds acted as mixed type inhibitors, with more polarized cathodic than anodic curves. Regarding quantum chemical calculations, parameters such as energies of highest occupied molecular orbital and lowest unoccupied molecular orbital, energy gap, dipole moment, electronegativity, global hardness, softness, global electrophilicity, fraction of transferred electrons, ΔE Back- donation, Fukui and local softness indices have been performed on the tested inhibitors to investigate their structural and electronic properties, in order to provide an adsorption mechanism, and reveal the reactivity and selectivity of the molecules' centers. The experimental results were in good agreement with theoretical results. The results for the natural acids were used to predict the linoleic acid inhibition efficiency. |
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Structure-Corrosion Inhibition Performance Relationship: Application to Some Natural Free Acids and Antioxidantscorrosion inhibitionfree acidelectrochemical measurementsweight lossquantum chemical calculationsThe inhibition of mild steel corrosion in a 1 M HCl solution by some natural free acids and antioxidants has been investigated by weight loss measurement, potentiodynamic polarization and DFT calculations. The experimental results have shown that these compounds exhibited a good corrosion inhibition. The inhibition efficiency increased with the inhibitor concentration. The adsorption of the inhibitor molecules onto the metal surface was found to respond to Langmuir adsorption isotherm for ascorbic, oleic and stearic acids, and to Temkin adsorption isotherm for palmitic acid. Tafel plot analysis revealed that these compounds acted as mixed type inhibitors, with more polarized cathodic than anodic curves. Regarding quantum chemical calculations, parameters such as energies of highest occupied molecular orbital and lowest unoccupied molecular orbital, energy gap, dipole moment, electronegativity, global hardness, softness, global electrophilicity, fraction of transferred electrons, ΔE Back- donation, Fukui and local softness indices have been performed on the tested inhibitors to investigate their structural and electronic properties, in order to provide an adsorption mechanism, and reveal the reactivity and selectivity of the molecules' centers. The experimental results were in good agreement with theoretical results. The results for the natural acids were used to predict the linoleic acid inhibition efficiency.Sociedade Portuguesa de Electroquímica2018-01-01info:eu-repo/semantics/publishedVersioninfo:eu-repo/semantics/articletext/htmlhttp://scielo.pt/scielo.php?script=sci_arttext&pid=S0872-19042018000100003Portugaliae Electrochimica Acta v.36 n.1 2018reponame: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=S0872-19042018000100003Soraya,NigriRayenne,DjemilBoulanouar,MessaoudiRabah,Oumeddourinfo:eu-repo/semantics/openAccess2024-02-06T17:07:26Zoai:scielo:S0872-19042018000100003Portal AgregadorONGhttps://www.rcaap.pt/oai/openaireopendoar:71602024-03-20T02:20:20.749573Repositório 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 |
Structure-Corrosion Inhibition Performance Relationship: Application to Some Natural Free Acids and Antioxidants |
title |
Structure-Corrosion Inhibition Performance Relationship: Application to Some Natural Free Acids and Antioxidants |
spellingShingle |
Structure-Corrosion Inhibition Performance Relationship: Application to Some Natural Free Acids and Antioxidants Soraya,Nigri corrosion inhibition free acid electrochemical measurements weight loss quantum chemical calculations |
title_short |
Structure-Corrosion Inhibition Performance Relationship: Application to Some Natural Free Acids and Antioxidants |
title_full |
Structure-Corrosion Inhibition Performance Relationship: Application to Some Natural Free Acids and Antioxidants |
title_fullStr |
Structure-Corrosion Inhibition Performance Relationship: Application to Some Natural Free Acids and Antioxidants |
title_full_unstemmed |
Structure-Corrosion Inhibition Performance Relationship: Application to Some Natural Free Acids and Antioxidants |
title_sort |
Structure-Corrosion Inhibition Performance Relationship: Application to Some Natural Free Acids and Antioxidants |
author |
Soraya,Nigri |
author_facet |
Soraya,Nigri Rayenne,Djemil Boulanouar,Messaoudi Rabah,Oumeddour |
author_role |
author |
author2 |
Rayenne,Djemil Boulanouar,Messaoudi Rabah,Oumeddour |
author2_role |
author author author |
dc.contributor.author.fl_str_mv |
Soraya,Nigri Rayenne,Djemil Boulanouar,Messaoudi Rabah,Oumeddour |
dc.subject.por.fl_str_mv |
corrosion inhibition free acid electrochemical measurements weight loss quantum chemical calculations |
topic |
corrosion inhibition free acid electrochemical measurements weight loss quantum chemical calculations |
description |
The inhibition of mild steel corrosion in a 1 M HCl solution by some natural free acids and antioxidants has been investigated by weight loss measurement, potentiodynamic polarization and DFT calculations. The experimental results have shown that these compounds exhibited a good corrosion inhibition. The inhibition efficiency increased with the inhibitor concentration. The adsorption of the inhibitor molecules onto the metal surface was found to respond to Langmuir adsorption isotherm for ascorbic, oleic and stearic acids, and to Temkin adsorption isotherm for palmitic acid. Tafel plot analysis revealed that these compounds acted as mixed type inhibitors, with more polarized cathodic than anodic curves. Regarding quantum chemical calculations, parameters such as energies of highest occupied molecular orbital and lowest unoccupied molecular orbital, energy gap, dipole moment, electronegativity, global hardness, softness, global electrophilicity, fraction of transferred electrons, ΔE Back- donation, Fukui and local softness indices have been performed on the tested inhibitors to investigate their structural and electronic properties, in order to provide an adsorption mechanism, and reveal the reactivity and selectivity of the molecules' centers. The experimental results were in good agreement with theoretical results. The results for the natural acids were used to predict the linoleic acid inhibition efficiency. |
publishDate |
2018 |
dc.date.none.fl_str_mv |
2018-01-01 |
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=S0872-19042018000100003 |
url |
http://scielo.pt/scielo.php?script=sci_arttext&pid=S0872-19042018000100003 |
dc.language.iso.fl_str_mv |
eng |
language |
eng |
dc.relation.none.fl_str_mv |
http://scielo.pt/scielo.php?script=sci_arttext&pid=S0872-19042018000100003 |
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.36 n.1 2018 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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1799137291559501824 |