Structure–activity relationship of xanthates with different hydrophobic groups in the flotation of pyrite. (15th August 2018)

• Record Type: Journal Article
• Authors: Yang, Xianglin; Albijanic, Boris; Liu, Guangyi; Zhou, You
• Is Part Of: Minerals engineering. Volume 125(2018)
• Page Start: 155
• Page End: 164
• Publication Date: 2018-08-15
• Subjects: Xanthate collectors -- Pyrite cluster model -- Structure–reactivity relationship -- Density functional theory -- Interaction energy; Mines and mineral resources -- Periodicals; Ressources minérales -- Périodiques; Mines and mineral resources; Periodicals; Electronic journals; 622
• DOI: 10.1016/j.mineng.2018.05.032
• Languages: English
• ISSNs: 0892-6875

Abstract

Highlights: Cluster model is introduced into the study of collector-pyrite interaction. DFT is used to assess the role of hydrophobic group of flotation collectors. Interaction energies are calculated between xanthates and Fe 3+, Fe(OH)2 + and Fe(OH) 2+ . Experimentally observed flotation performance matches with theoretically predicted order. Abstract: Xanthate collectors have been industrially used for the flotation of pyrite in the gold mining industry because pyrite is the most common gold-bearing mineral. However, after reviewing the structure-activity relationship study of flotation collectors, the influence of hydrophobic groups on the flotation performance of collectors remains underexplored. In this paper, using density functional theory (DFT) method, the quantum chemical properties of xanthate derivatives ROC = SS - (R = ethyl, isobutyl or amyl) and their interactions with Fe 3+, Fe(OH)2 +, Fe(OH) 2+ and pyrite cluster were evaluated in the context of solvation effects. The flotation performance of substituted xanthates was experimentally investigated for a gold–pyrite ore. Based on the values of frontier orbital energies and electronic chemical potential, the flotation performance of the alkyl xanthates was predicted to be amyl xanthate > isobutyl xanthate > ethyl xanthate. The results showed that the direct chemisorption of the ferric hydroxo xanthates on the pyrite surfaces was thermodynamically possible. The flotation performance of the xanthate collectors matched with the theoretically predicted trend. This study could offer some theoretical insights into the mechanism of pyrite flotation and provide novel guidelines for rational selection/design of hydrophobic groups of flotation collectors.