Effect of the molecular structure of some quinones on their corrosion inhibiting action / A. Stoyanova in Materials and corrosion, Vol. 62 N° 9 (Septembre 2011)  

Public ISBD [article]  inMaterials and corrosion > Vol. 62 N° 9 (Septembre 2011) . - pp. 872–877 Titre : Effect of the molecular structure of some quinones on their corrosion inhibiting action Type de document : texte imprimé Auteurs : A. Stoyanova, Auteur ; E. Slavcheva, Auteur Année de publication : 2011 Article en page(s) : pp. 872–877 Note générale : Génie Mécanique Langues : Anglais (eng) Mots-clés : Dipole moment Geometrical and molecular structure Inhibiting effect Ionization potential Quinones SCF calculations Index. décimale : 620.1 Essais des matériaux. Défauts des matériaux. Protection des matériaux Résumé : The molecular characteristics obtained by quantum chemical self-consistent field (SCF) calculations of a series of quinones are correlated with the experimentally determined inhibitor efficiency for mild steel corrosion in neutral aqueous medium. It was established that the decrease of the ionization potential and the increase of the dipole moment of the quinone molecules favor the higher protective effect. The electron density and the geometric molecular structure have also been computed and are discussed in view of the corrosion inhibition. DEWEY : 620.1 ISSN : 0947-5117 En ligne : http://onlinelibrary.wiley.com/doi/10.1002/maco.200905579/abstract [article] Effect of the molecular structure of some quinones on their corrosion inhibiting action [texte imprimé] / A. Stoyanova, Auteur ; E. Slavcheva, Auteur . - 2011 . - pp. 872–877. Génie Mécanique Langues : Anglais (eng) in Materials and corrosion > Vol. 62 N° 9 (Septembre 2011) . - pp. 872–877 Mots-clés : Dipole moment Geometrical and molecular structure Inhibiting effect Ionization potential Quinones SCF calculations Index. décimale : 620.1 Essais des matériaux. Défauts des matériaux. Protection des matériaux Résumé : The molecular characteristics obtained by quantum chemical self-consistent field (SCF) calculations of a series of quinones are correlated with the experimentally determined inhibitor efficiency for mild steel corrosion in neutral aqueous medium. It was established that the decrease of the ionization potential and the increase of the dipole moment of the quinone molecules favor the higher protective effect. The electron density and the geometric molecular structure have also been computed and are discussed in view of the corrosion inhibition. DEWEY : 620.1 ISSN : 0947-5117 En ligne : http://onlinelibrary.wiley.com/doi/10.1002/maco.200905579/abstract

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