Browsing Makale Koleksiyonu by Author "Qiang, Yujie"
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Theoretical insight into an empirical rule about organic corrosion inhibitors containing nitrogen, oxygen, and sulfur atoms
Guo, Lei; Obot, Ime Bassey; Zheng, Xingwen; Shen, Xun; Qiang, Yujie; Kaya, Savas; Kaya, Cemal (ELSEVIER SCIENCE BV, 2017)Steel is an important material in industry. Adding heterocyclic organic compounds have proved to be very efficient for steel protection. There exists an empirical rule that the general trend in the inhibition efficiencies ... -
Toward understanding the anticorrosive mechanism of some thiourea derivatives for carbon steel corrosion: A combined DFT and molecular dynamics investigation
Guo, Lei; Kaya, Savas; Obot, Ime Bassey; Zheng, Xingwen; Qiang, Yujie (ACADEMIC PRESS INC ELSEVIER SCIENCE, 2017)The mutually corroborated density functional theory (DFT) and molecular dynamics (MD) simulation methodology were employed to evaluate the inhibition performance of three thiourea derivatives (Inhl, Inh2, and Inh3) on ...