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Inhibition investigation and determination of some quantum chemical parameters of 1-(4-(dimethylamino)benzylidene)thiosemicarbazide on steel alloys in sulfuric acid medium / S. M. A. Hosseini in Materials and corrosion, Vol. 63 N° 7 (Juillet 2012) 

Public ISBD [article]  in Materials and corrosion > Vol. 63 N° 7 (Juillet 2012) . - pp. 627–635 Titre : Inhibition investigation and determination of some quantum chemical parameters of 1-(4-(dimethylamino)benzylidene)thiosemicarbazide on steel alloys in sulfuric acid medium Type de document : texte imprimé Auteurs : S. M. A. Hosseini, Auteur ; M. J. Bahrami, Auteur ; A. Dorehgiraee, Auteur Année de publication : 2012 Article en page(s) : pp. 627–635 Note générale : Génie mécanique Langues : Anglais (eng) Mots-clés : Adsorption;  corrosion  inhibitor;  Fourier  transforms  infrared  spectroscopy;  steel  alloys Résumé : The inhibition effect of 1-(4-(dimethylamino)benzylidene)thiosemicarbazide (DBT) on the corrosion behavior of 304 stainless steel and mild steel in 0.5 M sulfuric acid solution was investigated using weight loss and potentiostatic polarization methods. The experimental results suggest that DBT inhibits the corrosion of the steels in acid solution. The inhibition efficiencies increased as the concentration of the compound was increased. The calculated inhibition efficiencies from the two investigated methods were in good agreement. Potentiostatic polarization measurements indicate that DBT acts as a mixed type inhibitor for both alloys. The adsorption of inhibitor on the steel surfaces obeys Langmuir adsorption isotherm. The structure of DBT was optimized using PM3 semi-empirical method. Highest occupied molecular orbital (HOMO), lowest unoccupied molecular orbital (LUMO), energy levels, ELUMO − EHOMO (energy gap), dipole moment (µ), and Mulliken charge densities for this molecule were computed and the adsorption mechanism was discussed. Fourier transform infrared spectroscopy (FTIR) and scanning electron microscopy (SEM) were used to characterize the surfaces of the alloys. En ligne : http://onlinelibrary.wiley.com/doi/10.1002/maco.201106123/abstract [article] Inhibition investigation and determination of some quantum chemical parameters of 1-(4-(dimethylamino)benzylidene)thiosemicarbazide on steel alloys in sulfuric acid medium [texte imprimé] / S. M. A. Hosseini, Auteur ; M. J. Bahrami, Auteur ; A. Dorehgiraee, Auteur . - 2012 . - pp. 627–635. Génie mécanique Langues : Anglais (eng) in Materials and corrosion > Vol. 63 N° 7 (Juillet 2012) . - pp. 627–635 Mots-clés : Adsorption;  corrosion  inhibitor;  Fourier  transforms  infrared  spectroscopy;  steel  alloys Résumé : The inhibition effect of 1-(4-(dimethylamino)benzylidene)thiosemicarbazide (DBT) on the corrosion behavior of 304 stainless steel and mild steel in 0.5 M sulfuric acid solution was investigated using weight loss and potentiostatic polarization methods. The experimental results suggest that DBT inhibits the corrosion of the steels in acid solution. The inhibition efficiencies increased as the concentration of the compound was increased. The calculated inhibition efficiencies from the two investigated methods were in good agreement. Potentiostatic polarization measurements indicate that DBT acts as a mixed type inhibitor for both alloys. The adsorption of inhibitor on the steel surfaces obeys Langmuir adsorption isotherm. The structure of DBT was optimized using PM3 semi-empirical method. Highest occupied molecular orbital (HOMO), lowest unoccupied molecular orbital (LUMO), energy levels, ELUMO − EHOMO (energy gap), dipole moment (µ), and Mulliken charge densities for this molecule were computed and the adsorption mechanism was discussed. Fourier transform infrared spectroscopy (FTIR) and scanning electron microscopy (SEM) were used to characterize the surfaces of the alloys. En ligne : http://onlinelibrary.wiley.com/doi/10.1002/maco.201106123/abstract