Speaker
Please indicate whether<br>this abstract may be<br>published online<br>(Yes / No)
yes
Would you like to <br> submit a short paper <br> for the Conference <br> Proceedings (Yes / No)?
no
Abstract content <br> (Max 300 words)<br><a href="http://events.saip.org.za/getFile.py/access?resId=0&materialId=0&confId=34" target="_blank">Formatting &<br>Special chars</a>
Computational modelling methods were employed to investigate pyrite surfaces, and the adsorption of DTP on pyrite surface. The calculated surface energies for {100}, {110}, {111} and {210} showed that {100} surface is most stable whereas {110} is the least stable. Morphologies of pyrite indicate predominance of the {100} facets and limited presence of others. The adsorption results suggest that the interactions of DTP collectors are via their S atoms bonding with the surface Fe atoms, indicating that the Fe atom participates in the bonding interaction.
The analysis of density of states suggest that DTPs are composed of the S 3p orbital, indicating that the S 3p orbital are very active. In addition, the density of states of the S atom with a single bond is the same as the S atom with a double bond, indicating that the two S atoms in the thiol group have similar chemical reactivity, which may be ascribed to the conjugation effect of a pi bond.
Level for award<br> (Hons, MSc, <br> PhD, N/A)?
PhD
Main supervisor (name and email)<br>and his / her institution
P E Ngoepe/ University of Limpopo/ phuti.ngoepe@ul.ac.za
Apply to be<br> considered for a student <br> award (Yes / No)?
yes
