Caprylate salts based on amines as volatile corrosion inhibitors for metallic zinc: Theoretical and experimental studies
Autor(a) principal: | |
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Data de Publicação: | 2017 |
Outros Autores: | , , , , |
Tipo de documento: | Artigo |
Idioma: | eng |
Título da fonte: | Repositório Institucional da UNESP |
Texto Completo: | http://dx.doi.org/10.3389/fchem.2017.00032 http://hdl.handle.net/11449/174747 |
Resumo: | The interaction of volatile corrosion inhibitors (VCI), caprylate salt derivatives from amines, with zinc metallic surfaces is assessed by density functional theory (DFT) computer simulations, electrochemical impedance (EIS) measurements and humid chamber tests. The results obtained by the different methods were compared, and linear correlations were obtained between theoretical and experimental data. The correlations between experimental and theoretical results showed that the molecular size is the determining factor in the inhibition efficiency. The models used and experimental results indicated that dicyclohexylamine caprylate is the most efficient inhibitor. |
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Caprylate salts based on amines as volatile corrosion inhibitors for metallic zinc: Theoretical and experimental studiesEISModeling studiesNeutral medium inhibitorZincThe interaction of volatile corrosion inhibitors (VCI), caprylate salt derivatives from amines, with zinc metallic surfaces is assessed by density functional theory (DFT) computer simulations, electrochemical impedance (EIS) measurements and humid chamber tests. The results obtained by the different methods were compared, and linear correlations were obtained between theoretical and experimental data. The correlations between experimental and theoretical results showed that the molecular size is the determining factor in the inhibition efficiency. The models used and experimental results indicated that dicyclohexylamine caprylate is the most efficient inhibitor.Departamento de Físico-Química Instituto de Química Universidade Estadual Paulista (Unesp)Departamento de Campus Cuiabá (IFMT) Instituto Federal do Mato GrossoInstituto de Física Universidade de BrasíliaDepartamento de Físico-Química Instituto de Química Universidade Estadual Paulista (Unesp)Universidade Estadual Paulista (Unesp)Instituto Federal do Mato GrossoUniversidade de Brasília (UnB)Valente, Marco A.G. [UNESP]Teixeira, Deiver A. [UNESP]Azevedo, David L.Feliciano, Gustavo T. [UNESP]Benedetti, Assis V. [UNESP]Fugivara, Cecílio S. [UNESP]2018-12-11T17:12:42Z2018-12-11T17:12:42Z2017-01-01info:eu-repo/semantics/publishedVersioninfo:eu-repo/semantics/articleapplication/pdfhttp://dx.doi.org/10.3389/fchem.2017.00032Frontiers in Chemistry, v. 5, n. MAY, 2017.2296-2646http://hdl.handle.net/11449/17474710.3389/fchem.2017.000322-s2.0-850204976012-s2.0-85020497601.pdfScopusreponame:Repositório Institucional da UNESPinstname:Universidade Estadual Paulista (UNESP)instacron:UNESPengFrontiers in Chemistry1,352info:eu-repo/semantics/openAccess2023-10-12T06:08:49Zoai:repositorio.unesp.br:11449/174747Repositório InstitucionalPUBhttp://repositorio.unesp.br/oai/requestopendoar:29462024-08-05T14:42:25.321684Repositório Institucional da UNESP - Universidade Estadual Paulista (UNESP)false |
dc.title.none.fl_str_mv |
Caprylate salts based on amines as volatile corrosion inhibitors for metallic zinc: Theoretical and experimental studies |
title |
Caprylate salts based on amines as volatile corrosion inhibitors for metallic zinc: Theoretical and experimental studies |
spellingShingle |
Caprylate salts based on amines as volatile corrosion inhibitors for metallic zinc: Theoretical and experimental studies Valente, Marco A.G. [UNESP] EIS Modeling studies Neutral medium inhibitor Zinc |
title_short |
Caprylate salts based on amines as volatile corrosion inhibitors for metallic zinc: Theoretical and experimental studies |
title_full |
Caprylate salts based on amines as volatile corrosion inhibitors for metallic zinc: Theoretical and experimental studies |
title_fullStr |
Caprylate salts based on amines as volatile corrosion inhibitors for metallic zinc: Theoretical and experimental studies |
title_full_unstemmed |
Caprylate salts based on amines as volatile corrosion inhibitors for metallic zinc: Theoretical and experimental studies |
title_sort |
Caprylate salts based on amines as volatile corrosion inhibitors for metallic zinc: Theoretical and experimental studies |
author |
Valente, Marco A.G. [UNESP] |
author_facet |
Valente, Marco A.G. [UNESP] Teixeira, Deiver A. [UNESP] Azevedo, David L. Feliciano, Gustavo T. [UNESP] Benedetti, Assis V. [UNESP] Fugivara, Cecílio S. [UNESP] |
author_role |
author |
author2 |
Teixeira, Deiver A. [UNESP] Azevedo, David L. Feliciano, Gustavo T. [UNESP] Benedetti, Assis V. [UNESP] Fugivara, Cecílio S. [UNESP] |
author2_role |
author author author author author |
dc.contributor.none.fl_str_mv |
Universidade Estadual Paulista (Unesp) Instituto Federal do Mato Grosso Universidade de Brasília (UnB) |
dc.contributor.author.fl_str_mv |
Valente, Marco A.G. [UNESP] Teixeira, Deiver A. [UNESP] Azevedo, David L. Feliciano, Gustavo T. [UNESP] Benedetti, Assis V. [UNESP] Fugivara, Cecílio S. [UNESP] |
dc.subject.por.fl_str_mv |
EIS Modeling studies Neutral medium inhibitor Zinc |
topic |
EIS Modeling studies Neutral medium inhibitor Zinc |
description |
The interaction of volatile corrosion inhibitors (VCI), caprylate salt derivatives from amines, with zinc metallic surfaces is assessed by density functional theory (DFT) computer simulations, electrochemical impedance (EIS) measurements and humid chamber tests. The results obtained by the different methods were compared, and linear correlations were obtained between theoretical and experimental data. The correlations between experimental and theoretical results showed that the molecular size is the determining factor in the inhibition efficiency. The models used and experimental results indicated that dicyclohexylamine caprylate is the most efficient inhibitor. |
publishDate |
2017 |
dc.date.none.fl_str_mv |
2017-01-01 2018-12-11T17:12:42Z 2018-12-11T17:12:42Z |
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://dx.doi.org/10.3389/fchem.2017.00032 Frontiers in Chemistry, v. 5, n. MAY, 2017. 2296-2646 http://hdl.handle.net/11449/174747 10.3389/fchem.2017.00032 2-s2.0-85020497601 2-s2.0-85020497601.pdf |
url |
http://dx.doi.org/10.3389/fchem.2017.00032 http://hdl.handle.net/11449/174747 |
identifier_str_mv |
Frontiers in Chemistry, v. 5, n. MAY, 2017. 2296-2646 10.3389/fchem.2017.00032 2-s2.0-85020497601 2-s2.0-85020497601.pdf |
dc.language.iso.fl_str_mv |
eng |
language |
eng |
dc.relation.none.fl_str_mv |
Frontiers in Chemistry 1,352 |
dc.rights.driver.fl_str_mv |
info:eu-repo/semantics/openAccess |
eu_rights_str_mv |
openAccess |
dc.format.none.fl_str_mv |
application/pdf |
dc.source.none.fl_str_mv |
Scopus reponame:Repositório Institucional da UNESP instname:Universidade Estadual Paulista (UNESP) instacron:UNESP |
instname_str |
Universidade Estadual Paulista (UNESP) |
instacron_str |
UNESP |
institution |
UNESP |
reponame_str |
Repositório Institucional da UNESP |
collection |
Repositório Institucional da UNESP |
repository.name.fl_str_mv |
Repositório Institucional da UNESP - Universidade Estadual Paulista (UNESP) |
repository.mail.fl_str_mv |
|
_version_ |
1808128405466513408 |