Browsing by Subject "DFT-D3+U-Pyrite surface"

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Design, synthesis and investigating the interaction of novel s-triazine collector with pyrite surface : a DFT-D3+U and experimental studies

Mkhonto, Peace P.; Zhang, Xingrong; Lu, Liang; Xiong, Wei; Zhu, Yangge; Han, Long; Ngoepe, Phuti E. (Elsevier, 2023)

In this study the green (environmentally friendly) novel di-sodium 2,6-dithio-4-butyl-amino-1,3,5-Triazine (SDTBAT) collector also known as s-triazine molecule was designed and synthesised for use in sulphide minerals ...

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