[article]
| Titre : |
Experimental and quantum chemical studies on two triazole derivatives as corrosion inhibitors for mild steel in acid media |
| Type de document : |
texte imprimé |
| Auteurs : |
W. Li, Auteur ; L. Hu, Auteur ; Z. Tao, Auteur |
| Année de publication : |
2012 |
| Article en page(s) : |
pp. 1042–1050 |
| Note générale : |
Génie Mécanique |
| Langues : |
Anglais (eng) |
| Mots-clés : |
Ab initio calculations Corrosion inhibition mild steel Surface properties Triazole derivative |
| Index. décimale : |
620.1 Essais des matériaux. Défauts des matériaux. Protection des matériaux |
| Résumé : |
Two triazole derivatives [1-phenyl-2-(5-(1,2,4) triazol-1-ylmethyl-(1,3,4) oxadizaol-2-ylsulphanyl)-ethanone (PTOE) and 2-(4-tert-butyl-benzylsulphanyl)-5-(1,2,4) triazol-1-ylmethyl-(1,3,4) oxadiazole (TBTO)] were synthesized as new corrosion inhibitors for the corrosion of mild steel in 1 M hydrochloric acid solutions. The inhibiting efficiency of the different inhibitors was evaluated by means of weight loss and electrochemical techniques such as electrochemical impedance spectroscopy (EIS) and polarization curves. The electrochemical investigation results indicate that these compounds act as mixed-type inhibitors retarding the anodic and cathodic corrosion reactions and do not change the mechanism of either hydrogen evolution reaction or mild steel dissolution. The studied compounds followed the Langmuir adsorption isotherm, and the thermodynamic parameters were determined and discussed. The effect of molecular structure on the inhibition efficiency has been investigated with ab initio calculations. The electronic properties such as highest occupied molecular orbital (HOMO) energy level, lowest unoccupied molecular orbital (LUMO) energy level, dipole moment (µ) and molecular orbital densities were calculated.
|
| DEWEY : |
620.1 |
| ISSN : |
0947-5117 |
| En ligne : |
http://onlinelibrary.wiley.com/doi/10.1002/maco.201005965/abstract |
in Materials and corrosion > Vol. 62 N° 11 (Novembre 2011) . - pp. 1042–1050
[article] Experimental and quantum chemical studies on two triazole derivatives as corrosion inhibitors for mild steel in acid media [texte imprimé] / W. Li, Auteur ; L. Hu, Auteur ; Z. Tao, Auteur . - 2012 . - pp. 1042–1050. Génie Mécanique Langues : Anglais ( eng) in Materials and corrosion > Vol. 62 N° 11 (Novembre 2011) . - pp. 1042–1050
| Mots-clés : |
Ab initio calculations Corrosion inhibition mild steel Surface properties Triazole derivative |
| Index. décimale : |
620.1 Essais des matériaux. Défauts des matériaux. Protection des matériaux |
| Résumé : |
Two triazole derivatives [1-phenyl-2-(5-(1,2,4) triazol-1-ylmethyl-(1,3,4) oxadizaol-2-ylsulphanyl)-ethanone (PTOE) and 2-(4-tert-butyl-benzylsulphanyl)-5-(1,2,4) triazol-1-ylmethyl-(1,3,4) oxadiazole (TBTO)] were synthesized as new corrosion inhibitors for the corrosion of mild steel in 1 M hydrochloric acid solutions. The inhibiting efficiency of the different inhibitors was evaluated by means of weight loss and electrochemical techniques such as electrochemical impedance spectroscopy (EIS) and polarization curves. The electrochemical investigation results indicate that these compounds act as mixed-type inhibitors retarding the anodic and cathodic corrosion reactions and do not change the mechanism of either hydrogen evolution reaction or mild steel dissolution. The studied compounds followed the Langmuir adsorption isotherm, and the thermodynamic parameters were determined and discussed. The effect of molecular structure on the inhibition efficiency has been investigated with ab initio calculations. The electronic properties such as highest occupied molecular orbital (HOMO) energy level, lowest unoccupied molecular orbital (LUMO) energy level, dipole moment (µ) and molecular orbital densities were calculated.
|
| DEWEY : |
620.1 |
| ISSN : |
0947-5117 |
| En ligne : |
http://onlinelibrary.wiley.com/doi/10.1002/maco.201005965/abstract |
|
Ajouter le résultat dans votre panier Faire une suggestion Affiner la rechercheExperimental and quantum chemical studies on two triazole derivatives as corrosion inhibitors for mild steel in acid media / W. Li in Materials and corrosion, Vol. 62 N° 11 (Novembre 2011)
