Computational simulation of adsorption and thermodynamic study of xanthate, dithiophosphate and dithiocarbamate on galena and pyrite surfaces

- The differences of xanthate, dithiophosphate (DTP) and dithiocarbamate (DTC) adsorption on PbS and FeS2 have been discussed.
- PbS and FeS2 surfaces vary in the surface coordination, Mulliken charge and the density of states (DOSs).
- In contrast with DTC, the DOS of xanthate and DTP change more obviously on FeS2 surface than on PbS surface.
- Thermodynamics and kinetics results show that the adsorption behaviors of xanthate on PbS and FeS2 surfaces are similar.
- Thermodynamics and kinetics parameters for DTC and DTP differ greatly at the two mineral surfaces.