Experimental and theoretical study on the inhibition performances of quinoxaline and Its derivatives for the corrosion of mild steel in hydrochloric acid / JiaJun Fu in Industrial & engineering chemistry research, Vol. 51 N° 18 (Mai 2012)  

Public ISBD [article]  inIndustrial & engineering chemistry research > Vol. 51 N° 18 (Mai 2012) . - pp. 6377-6386 Titre : Experimental and theoretical study on the inhibition performances of quinoxaline and Its derivatives for the corrosion of mild steel in hydrochloric acid Type de document : texte imprimé Auteurs : JiaJun Fu, Auteur ; HaiShan Zang, Auteur ; Ying Wang, Auteur Année de publication : 2012 Article en page(s) : pp. 6377-6386 Note générale : Industrial chemistry Langues : Anglais (eng) Mots-clés : Mild steel Corrosion Résumé : The inhibition of mild steel corrosion in 1.0 M HCl solution by quinoxaline and its derivatives were evaluated at 25 °C using weight loss measurement and Tafel polarization technique. These measurements reveal that the inhibition efficiency increased with increase in the concentrations of inhibitors, and the inhibition efficiencies decrease in the order 4-(quinoxalin-2-yl)phenol (PHQX) > 2-quinoxalinethiol (THQX) > 2-chloroquinoxaline (CHQX) > quinoxaline (QX). Tafel polarization curves show that all the investigated inhibitors act as mixed-type inhibitors. Quantum chemical calculation was applied to correlate electronic structure parameters of quinoxaline and its derivatives with their inhibition performances. Molecular dynamics simulations were also used to optimize the equilibrium configurations of the inhibitor molecules on the iron surface. The efficiency order of the studied inhibitors obtained by experimental results was verified by theoretical calculations. ISSN : 0888-5885 En ligne : http://cat.inist.fr/?aModele=afficheN&cpsidt=25867289 [article] Experimental and theoretical study on the inhibition performances of quinoxaline and Its derivatives for the corrosion of mild steel in hydrochloric acid [texte imprimé] / JiaJun Fu, Auteur ; HaiShan Zang, Auteur ; Ying Wang, Auteur . - 2012 . - pp. 6377-6386. Industrial chemistry Langues : Anglais (eng) in Industrial & engineering chemistry research > Vol. 51 N° 18 (Mai 2012) . - pp. 6377-6386 Mots-clés : Mild steel Corrosion Résumé : The inhibition of mild steel corrosion in 1.0 M HCl solution by quinoxaline and its derivatives were evaluated at 25 °C using weight loss measurement and Tafel polarization technique. These measurements reveal that the inhibition efficiency increased with increase in the concentrations of inhibitors, and the inhibition efficiencies decrease in the order 4-(quinoxalin-2-yl)phenol (PHQX) > 2-quinoxalinethiol (THQX) > 2-chloroquinoxaline (CHQX) > quinoxaline (QX). Tafel polarization curves show that all the investigated inhibitors act as mixed-type inhibitors. Quantum chemical calculation was applied to correlate electronic structure parameters of quinoxaline and its derivatives with their inhibition performances. Molecular dynamics simulations were also used to optimize the equilibrium configurations of the inhibitor molecules on the iron surface. The efficiency order of the studied inhibitors obtained by experimental results was verified by theoretical calculations. ISSN : 0888-5885 En ligne : http://cat.inist.fr/?aModele=afficheN&cpsidt=25867289

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