Corrosion inhibition behavior of two quinoline chalcones: insights from density functional theory
Küçük Resim Yok
Tarih
2015
Yazarlar
Dergi Başlığı
Dergi ISSN
Cilt Başlığı
Yayıncı
Walter De Gruyter Gmbh
Erişim Hakkı
info:eu-repo/semantics/closedAccess
Özet
There has been a considerable surge of experimental inquiry in recent years into understanding the factors responsible for the corrosion inhibition efficiency of chalcones; however, the question of what actually determines the efficiency still remains a topic of debate. In this study, the dependence of the inhibition effect of such two compounds, namely, 3-(3-oxo-3-phenyl-propenyl)-1H-quinolin-2-one and 3-(3-oxo-3-phenyl-propenyl)-1H-benzoquinolin-2-one, on their molecular and electronic structure is analyzed using density functional theory calculations. In agreement with experiments, this study found strong evidence to link corrosion inhibition property of the compounds to their actual molecular structures in acidic media.
Açıklama
Anahtar Kelimeler
carbon steel, chalcones, corrosion, DFT, inhibitors
Kaynak
Corrosion Reviews
WoS Q Değeri
Q2
Scopus Q Değeri
Q2
Cilt
33
Sayı
3-4
