Experimental and theoretical study of the inhibition effects of some Schiff bases as corrosion inhibitors of aluminium in HCl / A. Aytaç in Materials and corrosion, Vol. 63 N° 8 (Août 2012)  

Public ISBD [article]  inMaterials and corrosion > Vol. 63 N° 8 (Août 2012) . - pp. 729–734 Titre : Experimental and theoretical study of the inhibition effects of some Schiff bases as corrosion inhibitors of aluminium in HCl Type de document : texte imprimé Auteurs : A. Aytaç, Auteur ; S. Bilgiç, Auteur ; G. Gece, Auteur Année de publication : 2013 Article en page(s) : pp. 729–734 Note générale : Génie mécanique Langues : Anglais (eng) Mots-clés : Aluminium  corrosion inhibition  DFT  impedance  Schiff base Résumé : The inhibition efficiencies of two new synthesized Schiff bases have been investigated for aluminium in 0.5 M HCl solution using experimental and theoretical methods. Potentiodynamic polarization and EIS method were used to determine the inhibition efficiencies. From the experimental results it has been found that both compounds adsorb on the aluminium surface according to the Temkin adsorption isotherm. Quantum chemical calculations were further applied to reveal the adsorption structure and explain the experimental results. A good correlation between the quantum chemical parameters and the experimental inhibition efficiency has been found. En ligne : http://onlinelibrary.wiley.com/doi/10.1002/maco.201106241/abstract [article] Experimental and theoretical study of the inhibition effects of some Schiff bases as corrosion inhibitors of aluminium in HCl [texte imprimé] / A. Aytaç, Auteur ; S. Bilgiç, Auteur ; G. Gece, Auteur . - 2013 . - pp. 729–734. Génie mécanique Langues : Anglais (eng) in Materials and corrosion > Vol. 63 N° 8 (Août 2012) . - pp. 729–734 Mots-clés : Aluminium  corrosion inhibition  DFT  impedance  Schiff base Résumé : The inhibition efficiencies of two new synthesized Schiff bases have been investigated for aluminium in 0.5 M HCl solution using experimental and theoretical methods. Potentiodynamic polarization and EIS method were used to determine the inhibition efficiencies. From the experimental results it has been found that both compounds adsorb on the aluminium surface according to the Temkin adsorption isotherm. Quantum chemical calculations were further applied to reveal the adsorption structure and explain the experimental results. A good correlation between the quantum chemical parameters and the experimental inhibition efficiency has been found. En ligne : http://onlinelibrary.wiley.com/doi/10.1002/maco.201106241/abstract

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Quantum chemical studies of some amino acids on the corrosion of cobalt in sulfuric acid solution / G. Gece in Materials and corrosion, Vol. 61 N° 2 (Fevrier 2010)  

Public ISBD [article]  inMaterials and corrosion > Vol. 61 N° 2 (Fevrier 2010) . - pp. 141–146 Titre : Quantum chemical studies of some amino acids on the corrosion of cobalt in sulfuric acid solution Type de document : texte imprimé Auteurs : G. Gece, Auteur ; S. Bilgiç, Auteur ; Ö. Türksen, Auteur Année de publication : 2010 Article en page(s) : pp. 141–146 Note générale : Génie mécanisue Langues : Anglais (eng) Mots-clés : Amino acid  corrosion  DFT  inhibitor  PM3  quantum chemical calculations Résumé : The inhibitive effect of some amino acids, glycine (Gly), alanine (Ala), valine (Val), leucine (Leu), isoleucine (Ile), serine (Ser), threonine (Thr), methionine (Met), phenylalanine (Phe), tyrosine (Tyr), trytophan (Try), aspartic acid (Asp), asparagine (Asn), glutamic acid (Glu), and lysine (Lys) against the corrosion of cobalt surface is studied by means of semiempirical and density functional methods. The calculated quantum chemical parameters correlated to the inhibition efficiency are, the highest occupied molecular orbital (HOMO), the lowest unoccupied molecular orbital (LUMO), the energy gap (ΔE), and Mulliken charges. It is found that the calculated results satisfactorily support the experimental findings. En ligne : http://onlinelibrary.wiley.com/doi/10.1002/maco.200905251/abstract [article] Quantum chemical studies of some amino acids on the corrosion of cobalt in sulfuric acid solution [texte imprimé] / G. Gece, Auteur ; S. Bilgiç, Auteur ; Ö. Türksen, Auteur . - 2010 . - pp. 141–146. Génie mécanisue Langues : Anglais (eng) in Materials and corrosion > Vol. 61 N° 2 (Fevrier 2010) . - pp. 141–146 Mots-clés : Amino acid  corrosion  DFT  inhibitor  PM3  quantum chemical calculations Résumé : The inhibitive effect of some amino acids, glycine (Gly), alanine (Ala), valine (Val), leucine (Leu), isoleucine (Ile), serine (Ser), threonine (Thr), methionine (Met), phenylalanine (Phe), tyrosine (Tyr), trytophan (Try), aspartic acid (Asp), asparagine (Asn), glutamic acid (Glu), and lysine (Lys) against the corrosion of cobalt surface is studied by means of semiempirical and density functional methods. The calculated quantum chemical parameters correlated to the inhibition efficiency are, the highest occupied molecular orbital (HOMO), the lowest unoccupied molecular orbital (LUMO), the energy gap (ΔE), and Mulliken charges. It is found that the calculated results satisfactorily support the experimental findings. En ligne : http://onlinelibrary.wiley.com/doi/10.1002/maco.200905251/abstract

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