Revealing the inhibition efficiencies of artesunate and rutin for Corrosion of steel: A theoretical study
Küçük Resim Yok
Tarih
2018
Yazarlar
Dergi Başlığı
Dergi ISSN
Cilt Başlığı
Yayıncı
Trans Tech Publications Ltd
Erişim Hakkı
info:eu-repo/semantics/closedAccess
Özet
Corrosion inhibition characteristics of artesunate and rutin on carbon steel in water were studied using density functional theory (DFT). Quantum chemical parameters such as highest occupied molecular orbital energy (EHOMO), lowest unoccupied molecular orbital energy (ELUMO), energy gap (?E), and global reactivity properties were calculated at the B3LYP/6-311G(d,p) basis set. The results of theoretical calculations confirm experimental findings on the superiority of rutin for protection of steel from corrosion in aqueous media compared to artesunate. © 2018 Trans Tech Publications, Switzerland.
Açıklama
58th International Conference of Materials Science and Applied Chemistry, MSAC 2017 -- 20 October 2017 through 20 October 2017 -- -- 211549
Anahtar Kelimeler
Artesunate, Corrosion inhibitor, Density functional theory, Rutin
Kaynak
Key Engineering Materials
WoS Q Değeri
Scopus Q Değeri
Q4
Cilt
762
