Caprylate Salts Based on Amines as Volatile Corrosion Inhibitors for Metallic Zinc: Theoretical and Experimental Studies

Caprylate Salts Based on Amines as Volatile Corrosion Inhibitors for Metallic Zinc: Theoretical and Experimental Studies

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...

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Main Authors: Marco A. G. Valente, Deiver A. Teixeira, David L. Azevedo, Gustavo T. Feliciano, Assis V. Benedetti, Cecílio S. Fugivara
Format: Article
Language:English
Published: Frontiers Media S.A. 2017-05-01
Series:Frontiers in Chemistry
Subjects:
zinc
EIS
modeling studies
neutral medium inhibitor
Online Access:http://journal.frontiersin.org/article/10.3389/fchem.2017.00032/full
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spelling doaj-78ddf155c73741d3aef129cc3deb230e2020-11-25T00:07:57ZengFrontiers Media S.A.Frontiers in Chemistry2296-26462017-05-01510.3389/fchem.2017.00032249585Caprylate Salts Based on Amines as Volatile Corrosion Inhibitors for Metallic Zinc: Theoretical and Experimental StudiesMarco A. G. Valente0Deiver A. Teixeira1Deiver A. Teixeira2David L. Azevedo3Gustavo T. Feliciano4Assis V. Benedetti5Cecílio S. Fugivara6Departamento de Físico-Química, Instituto de Química, Universidade Estadual Paulista (Unesp)Araraquara, BrazilDepartamento de Físico-Química, Instituto de Química, Universidade Estadual Paulista (Unesp)Araraquara, BrazilDepartamento de Campus Cuiabá (IFMT), Instituto Federal do Mato GrossoCuiabá, BrazilInstituto de Física, Universidade de BrasíliaBrasília, BrazilDepartamento de Físico-Química, Instituto de Química, Universidade Estadual Paulista (Unesp)Araraquara, BrazilDepartamento de Físico-Química, Instituto de Química, Universidade Estadual Paulista (Unesp)Araraquara, BrazilDepartamento de Físico-Química, Instituto de Química, Universidade Estadual Paulista (Unesp)Araraquara, BrazilThe 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.http://journal.frontiersin.org/article/10.3389/fchem.2017.00032/fullzincEISmodeling studiesneutral medium inhibitor
collection DOAJ
language English
format Article
sources DOAJ
author Marco A. G. Valente
Deiver A. Teixeira
Deiver A. Teixeira
David L. Azevedo
Gustavo T. Feliciano
Assis V. Benedetti
Cecílio S. Fugivara
spellingShingle Marco A. G. Valente
Deiver A. Teixeira
Deiver A. Teixeira
David L. Azevedo
Gustavo T. Feliciano
Assis V. Benedetti
Cecílio S. Fugivara
Caprylate Salts Based on Amines as Volatile Corrosion Inhibitors for Metallic Zinc: Theoretical and Experimental Studies
Frontiers in Chemistry
zinc
EIS
modeling studies
neutral medium inhibitor
author_facet Marco A. G. Valente
Deiver A. Teixeira
Deiver A. Teixeira
David L. Azevedo
Gustavo T. Feliciano
Assis V. Benedetti
Cecílio S. Fugivara
author_sort Marco A. G. Valente
title Caprylate Salts Based on Amines as Volatile Corrosion Inhibitors for Metallic Zinc: Theoretical and Experimental Studies
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
publisher Frontiers Media S.A.
series Frontiers in Chemistry
issn 2296-2646
publishDate 2017-05-01
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.
topic zinc
EIS
modeling studies
neutral medium inhibitor
url http://journal.frontiersin.org/article/10.3389/fchem.2017.00032/full
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AT gustavotfeliciano caprylatesaltsbasedonaminesasvolatilecorrosioninhibitorsformetalliczinctheoreticalandexperimentalstudies
AT assisvbenedetti caprylatesaltsbasedonaminesasvolatilecorrosioninhibitorsformetalliczinctheoreticalandexperimentalstudies
AT ceciliosfugivara caprylatesaltsbasedonaminesasvolatilecorrosioninhibitorsformetalliczinctheoreticalandexperimentalstudies
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