The effect of water molecules on the thiol collector interaction on the galena (PbS) and sphalerite (ZnS) surfaces: A DFT study
The effect of water molecules on the thiol collector interaction on the galena (PbS) and sphalerite (ZnS) surfaces: A DFT study
复制标题
水分子对方铅矿 (PbS) 和闪锌矿 (ZnS) 表面硫醇捕收剂相互作用的影响：DFT 研究
DOI：
10.1016/j.apsusc.2016.07.084
复制
发表时间：
2016-12
影响因子：
6.7
通讯作者：
Du Zheng
中科院分区：
文献类型：
--
作者：
Long Xianhao;Chen Ye;Chen Jianhua;Xu Zhenghe;Liu Qingxia;Du Zheng
AbstractsIn froth flotation the molecular interaction between reagents and mineral surfaces take place at the solid liquid interface. In this paper, the effect of water molecule on the three typical thiol collectors (xanthate, dithiocarbomate and dithiophosphate) interactions at the galena (PbS) and sphalerite (ZnS) surfaces has been studied adopting density functional theory (DFT). The results suggests that the presence of water molecule shows a greater influence on the electron distribution of ZnS surface than PbS surface, and reduce the reactivity of ZnS surface atoms but improves the reactivity of PbS surface atoms during the reaction with xanthate. Water adsorption could also reduce the covalent binding between Zn and S atoms but have little influence on Pb-S bond. In the presence of water, xanthate, dithiocarbomate (DTC) and dithiophosphate (DTP) could not adsorb on the sphalerite surface. And for galena (PbS) surface, the interaction of DTP is the strongest, then the DTC and the interaction of xanthate is the weakest. These results agree well with the flotation practice.
登录
查看更多内容
As、Co、Ni杂质对黄铁矿(1 0 0)表面O2分子氧化影响的DFT研究
影响因子：
2.8
作者：
Yuqiong Li;Jianhua Chen;Jin Guo
通讯作者：
Jin Guo
影响因子：
0.8
作者：
V. Ignatkina
通讯作者：
V. Ignatkina
影响因子：
4.8
作者：
S. Bulatovic;D. M. Wyslouzil
通讯作者：
S. Bulatovic;D. M. Wyslouzil
影响因子：
4.5
作者：
S. Chander;D. Fuerstenau
通讯作者：
S. Chander;D. Fuerstenau
影响因子：
--
作者：
H. Haung;Jan D. Miller
通讯作者：
H. Haung;Jan D. Miller