Abstract
Abstract The research investigates whether the copper activation of sphalerite can result in the adsorption of xanthate on the S-site of sphalerite surface at the atomic level. The adsorption of ethyl xanthate (EX) molecule on the un-activated and Cu-activated sphalerite (1 1 0) surface in the presence of water molecule was conducted by using the density functional theory (DFT). The DFT results showed that there was little chemical interaction between EX and S atom of the un-activated sphalerite (1 1 0) surface. However, the copper activation of sphalerite changed the properties of S atom by inducing a strong covalent interaction between EX and the S atom. The EX molecule did not only adsorbed on the metal atom, but also adsorbed on the S-site.
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