甲基黄药和丁基黄药在黄铜矿(001)和(112)面的吸附机理研究

Adsorption Mechanism of Methyl and Butyl Xanthate on Chalcopyrite (001) and (112) Surfaces

黄铜矿作为铜最主要的赋存矿物,主要通过浮选与其他脉石矿物进行分离。但是,黄铜矿破碎过程会暴露出不同晶面,由于每个晶面性质存在差异,导致黄铜矿浮选过程中不同晶面与药剂的作用机理不同,造成不同的浮选效果。基于密度泛函理论,研究了甲基黄药和丁基黄药在黄铜矿(001)-M面和(112)-M面的吸附机理。计算结果表明,相比于(001)-M面,(112)-M面更稳定。2种黄药主要通过静电作用吸附在黄铜矿(112)-M面,而甲基黄药通过C-S单键中的S原子与黄铜矿表面Cu原子成键,丁基黄药通过2个S原子分别与(001)-M面上的Cu和Fe原子成键。因此,2种黄药在黄铜矿(001)-M和(112)-M的吸附机理不同。

Chalcopyrite,as the most important Cu-bearing mineral,is predominantly separated from the gangue minerals via flotation.However,the crushing and grinding processes produce different chalcopyrite surfaces.The reacting mechanisms between the flotation reagents and different chalcopyrite surfaces vary due to the different properties of various surfaces.This study investigates the adsorption mechanism of methyl and butyl xanthate on chalcopyrite(001)-M and(112)-M surfaces based on the density functional theory.The results show that these two xanthates are mainly adsorbed on chalcopyrite(112)-M surface via electrostatic adsorption.However,methyl xanthate is adsorbed on chalcopyrite(001)-M surface via forming S-Cu bonds while butyl xanthate is adsorbed on chalcopyrite(001)-M surface via forming S-Fe and S-Cu bonds.This indicates that the reacting mechanism of these two xanthates on chalcopyrite(001)-M and(112)-M is different.