Steric hindrance effect on adsorption of xanthate on sphalerite surface: A DFT study

被引：42

作者：

Chen, Ye ^{[1
,2
]}

Liu, Xiaomei ^{[1
]}

Chen, Jianhua ^{[1
,2
]}

机构：

[1] Guangxi Univ, Sch Resources Environm & Mat, Nanning 530004, Peoples R China

[2] Guangxi Univ, Guangxi Key Lab Proc Nonferrous Met & Featured Ma, Nanning 530004, Peoples R China

来源：

MINERALS ENGINEERING | 2021年 / 165卷

基金：

中国国家自然科学基金;

关键词：

Sphalerite; Steric hindrance effect; Surface adsorption; Xanthate; Activation;

D O I：

10.1016/j.mineng.2021.106834

中图分类号：

TQ [化学工业];

学科分类号：

0817 ;

摘要：

The influence of steric hindrance effect on xanthate adsorption on sphalerite surface has been studied by adopting density functional theory (DFT). On the relaxed sphalerite (110) surface, one surface zinc atom coordinates with three sulfur atoms and is located in the center of a planar triangular structure. The sulfur atom with a large atomic radius could spatially hinder the zinc atom, which subsequently results in steric hindrance effect. Consequently, the interaction of xanthate S atoms with surface Zn has to overcome a potential barrier caused by steric hindrance effect. In addition, the DFT simulation and LST search confirmed that the replacement of surface Zn atom by Cu atom could decrease the energy barrier caused by steric hindrance effect, which is favorable for the adsorption of xanthate. The results could explain why ethyl xanthate with short chain length is hard to adsorb on the clean sphalerite surface, but can strongly adsorb on the Cu-activated sphalerite surface.

引用

页数：8

共 46 条

[1] Steric and electronic effects in the bonding of N-heterocyclic ligands to transition metals [J].

Cavallo, L ;

Correa, A ;

Costabile, C ;

Jacobsen, H .

JOURNAL OF ORGANOMETALLIC CHEMISTRY, 2005, 690 (24-25) :5407-5413

[2]

Chander S., 1988, MINER METALL PROC, V5, P104

[3] A review of the fundamental studies of the copper activation mechanisms for selective flotation of the sulfide minerals, sphalerite and pyrite [J].

Chandra, A. P. ;

Gerson, A. R. .

ADVANCES IN COLLOID AND INTERFACE SCIENCE, 2009, 145 (1-2) :97-110

[4] Quantum-mechanical study of effect of lattice defects on surface properties and copper activation of sphalerite surface [J].

Chen Jian-hua ;

Chen Ye ;

Li Yu-qiong .

TRANSACTIONS OF NONFERROUS METALS SOCIETY OF CHINA, 2010, 20 (06) :1121-1130

[5] Steric hindrance effect on adsorption of metal-organic complexes onto aminophosphonate chelating resin [J].

Deepatana, A. ;

Valix, M. .

DESALINATION, 2008, 218 (1-3) :297-303

[6] Recovery of nickel and cobalt from organic acid complexes: Adsorption mechanisms of metal-organic complexes onto aminophosphonate chelating resin [J].

Deepatana, A. ;

Valix, M. .

JOURNAL OF HAZARDOUS MATERIALS, 2006, 137 (02) :925-933

[7] SURFACE-STRUCTURE AND BONDING OF THE CLEAVAGE FACES OF TETRAHEDRALLY COORDINATED II-VI COMPOUNDS [J].

DUKE, CB ;

WANG, YR .

JOURNAL OF VACUUM SCIENCE & TECHNOLOGY B, 1988, 6 (04) :1440-1443

[8] Kinetic studies of amyl xanthate adsorption and bubble attachment to Cu-activated sphalerite and pyrite surfaces [J].

Ejtemaei, Majid ;

Nguyen, Anh V. .

MINERALS ENGINEERING, 2017, 112 :36-42

[9] A comparative study of the attachment of air bubbles onto sphalerite and pyrite surfaces activated by copper sulphate [J].

Ejtemaei, Majid ;

Nguyen, Anh V. .

MINERALS ENGINEERING, 2017, 109 :14-20

[10] The activation of sulphide minerals for flotation: a review [J].

Finkelstein, NP .

INTERNATIONAL JOURNAL OF MINERAL PROCESSING, 1997, 52 (2-3) :81-120

← 1 2 3 4 5 →