Computational density functional theory study of triazine adsorption on sperrylite (100) surface

There is still a huge challenge in efficiently recovering the arsenides minerals that are largely concentrated in the Platreef Bushveld Complex which constitutes about 21 per cent of the platinum group minerals (PGMs). Therefore new collectors are required to improve the recovery separation of hard to float minerals, in particular sperrylite. The triazine modifications are promising reagents for mineral flotation and have not been given much attention in minerals processing. The adsorption of sodium 2,6-dithio-4-butylamino-1,3,5-triazine (SDTBAT), sodium 2,6- ditrithiocarbonate-4-butylamino-1,3,5-triazine (SDTTCBAT) and sodium normal butyl xanthate (SNBX) on sperrylite (100) surface were performed to identify a well performing collector molecule. We observed that the triazine collectors preferred to bridge on surface As and Pt atoms through the S atoms. We found that the adsorption energies were in the order: SDTTCBAT > SDTBAT > SNBX, indicating that the SDTTCBAT had strong exothermic adsorption on sperrylite and pyrite. These results showed that the ditrithiocarbamate had a great influence in the adsorption strength on the sperrylite surface. Importantly it was found that the triazine collector had stronger adsorption than the xanthate, which portrayed a promising replacement of xanthate collector. These results paved a way for design of novel collector for sperrylite and other chalcogenide minerals to improve their recovery.