Caprylate salts based on amines as volatile corrosion inhibitors for metallic zinc: Theoretical and experimental studies

Detalhes bibliográficos
Autor(a) principal: Valente, Marco A.G. [UNESP]
Data de Publicação: 2017
Outros Autores: Teixeira, Deiver A. [UNESP], Azevedo, David L., Feliciano, Gustavo T. [UNESP], Benedetti, Assis V. [UNESP], Fugivara, Cecílio S. [UNESP]
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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spelling 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:29462023-10-12T06:08:49Repositório 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_ 1799964535794171904

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