| Titre : | The first-principle study of the effect of lattice impurity on adsorption of CN on sphalerite surface (2011) |
| Auteurs : | Ye Chen, Auteur ; Jianhua Chen, Auteur |
| Type de document : | Article : texte imprimé |
| Dans : | Minerals engineering (Vol. 23 N° 9, Août 2010) |
| Article en page(s) : | pp. 676–684 |
| Note générale : | Génie Minier |
| Langues : | Anglais |
| Tags : | Sulphide ores Froth flotation Simulation |
| Résumé : | The adsorption of CN on sphalerite (1 1 0) surface and the effects of lattice impurities on the surface adsorption have been investigated using density-functional theory (DFT). The results show that CN adsorbs strongly on perfect sphalerite (1 1 0) surface, where C atom and N atom of CN molecule are bonding with two Zn atoms on the surface. The presence of Fe/Mn/Cu-impurity on sphalerite surface was shown to enhance the CN adsorption, however; Cd impurity worked in the opposite. The adsorption mode of CN on defective surfaces is mainly via C atom interacting with the impurity atom, and s orbital of C interacts with sp orbital of Fe/Mn/Cu to form the covalent bond, and d orbital of Fe/Mn/Cu donates electrons to the anti-bonding p orbital of C to form the back donating π bonding. While on the Cd-bearing surface, Cd 4d orbital donates fewer electrons to the vacant View the MathML source of C, and thus no back donating π bonding appears and the adsorption of CN on Cd-bearing sphalerite surface is weak. The simulations of CN adsorption show that Fe-bearing sphalerite could be easily depressed by cyanide, while Cd-bearing sphalerite is difficult to be depressed by cyanide. |
| DEWEY : | 622 |
| ISSN : | 0892-6875 |
| En ligne : | http://www.sciencedirect.com/science/article/pii/S089268751000110X |
