6–10 Jul 2026
University of the Western Cape
Africa/Johannesburg timezone
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Effect of pH on the adsorption behavior of xanthate, dithiocarbamate and s-triazine collectors on palladoarsenide (100) surface: A DFT-D3 investigation

7 Jul 2026, 17:20
1h 20m
Great Hall (University of the Western Cape)

Great Hall

University of the Western Cape

Poster Presentation Track A - Physics of Condensed Matter and Materials Poster Session 1

Speaker

Dr Bradley Nemutudi (University of Limpopo)

Description

The interactions of organic collectors with mineral surfaces are the major factors that determines the floatability behaviour of minerals during flotation process. This study employed the computational density functional theory with dispersion correction (DFT-D3) method to investigate the adsorption performance of normal butyl xanthate (NBX), normal butyl dithiocarbamate (NBDTC) and the novel 2,6-dithio-4-butylamino-1,3,5-triazine (DTBAT) collectors onto palladoarsenide (100) surface under neutral and acidic conditions. It was observed that the NBX and NBDTC collectors adsorbed onto the surface through Pd-bidentate bonding, whereas the DTBAT collector exhibited Pd-tridentate adsorption. Evidently, under neutral conditions, the DTBAT exhibited a stronger adsorption energy. In contrast, under alkaline conditions, the NBX showed a strong adsorption energy. Therefore, these results suggested that the DTBAT may be highly selective in enhancing the flotation of palladoarsenide under neutral conditions, while NBX would perform better under acidic conditions. The results paved a way for the design of novel collectors for palladoarsenide mineral, with the potential to improve its recovery in mineral processing.

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Authors

Dr Bradley Nemutudi (University of Limpopo) Prof. Peace Mkhonto (University of Limpopo) Prof. Phuti Ngoepe (University of Limpopo)

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