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Valente MAG, Teixeira DA, Azevedo DL, et al. Caprylate Salts Based on Amines as Volatile Corrosion Inhibitors for Metallic Zinc: Theoretical and Experimental Studies. Front Chem. 2017;5:32doi: 10.3389/fchem.2017.00032.
Valente, M. A. G., Teixeira, D. A., Azevedo, D. L., Feliciano, G. T., Benedetti, A. V., & Fugivara, C. S. (2017). Caprylate Salts Based on Amines as Volatile Corrosion Inhibitors for Metallic Zinc: Theoretical and Experimental Studies. Frontiers in chemistry, 532. https://doi.org/10.3389/fchem.2017.00032
Valente, Marco A G, et al. "Caprylate Salts Based on Amines as Volatile Corrosion Inhibitors for Metallic Zinc: Theoretical and Experimental Studies." Frontiers in chemistry vol. 5 (2017): 32. doi: https://doi.org/10.3389/fchem.2017.00032
Valente MAG, Teixeira DA, Azevedo DL, Feliciano GT, Benedetti AV, Fugivara CS. Caprylate Salts Based on Amines as Volatile Corrosion Inhibitors for Metallic Zinc: Theoretical and Experimental Studies. Front Chem. 2017 May 31;5:32. doi: 10.3389/fchem.2017.00032. eCollection 2017. PMID: 28620602; PMCID: PMC5450003.
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Front Chem. 2017 May 31;5:32. doi: 10.3389/fchem.2017.00032. eCollection 2017.

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

Frontiers in chemistry

Marco A G Valente, Deiver A Teixeira, David L Azevedo, Gustavo T Feliciano, Assis V Benedetti, Cecílio S Fugivara

Affiliations

  1. Departamento de Físico-Química, Instituto de Química, Universidade Estadual Paulista (Unesp)Araraquara, Brazil.
  2. Departamento de Campus Cuiabá (IFMT), Instituto Federal do Mato GrossoCuiabá, Brazil.
  3. Instituto de Física, Universidade de BrasíliaBrasília, Brazil.

PMID: 28620602 PMCID: PMC5450003 DOI: 10.3389/fchem.2017.00032

Abstract

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.

Keywords: EIS; modeling studies; neutral medium inhibitor; zinc

References

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  2. J Mol Model. 2013 Feb;19(2):851-7 - PubMed
  3. Phys Rev A Gen Phys. 1988 Sep 15;38(6):3098-3100 - PubMed

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