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Thermodynamics and density functional theory study of potassium dichromate interaction with galena 被引量:3

Thermodynamics and density functional theory study of potassium dichromate interaction with galena
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摘要 The adsorption heat and reaction rate constant of potassium dichromate on the surface of galena were studied. The results indicate that potassium dichromate tends to adsorption on the galena surface. The reaction order is only 0.08385, suggesting that the concentration of potassium dichromate has little influence on its adsorption on the galena surface. In addition, the simulation of CrO2 4- adsorption on the PbS (100) surface in the absence and presence of O2 was carried out by density functional theory (DFT). The calculated results show that CrO2 4- species adsorb energetically at the Pb-S bond site, and the presence of O2 can enhance this adsorption. The adsorption heat and reaction rate constant of potassium dichromate on the surface of galena were studied. The results indicate that potassium dichromate tends to adsorption on the galena surface. The reaction order is only 0.08385, suggesting that the concentration of potassium dichromate has little influence on its adsorption on the galena surface. In addition, the simulation of CrO2 4- adsorption on the PbS (100) surface in the absence and presence of O2 was carried out by density functional theory (DFT). The calculated results show that CrO2 4- species adsorb energetically at the Pb-S bond site, and the presence of O2 can enhance this adsorption.
出处 《International Journal of Minerals,Metallurgy and Materials》 SCIE EI CAS CSCD 2014年第10期947-954,共8页 矿物冶金与材料学报(英文版)
基金 financially supported by the National Natural Science Foundation of China(No.51164001)
关键词 FLOTATION potassium dichromate GALENA ADSORPTION THERMODYNAMICS density functional theory flotation potassium dichromate galena adsorption thermodynamics density functional theory
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