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Thermodynamics and density functional theory study of potassium dichromate interaction with galena |
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| Authors: | Jian-Hua Chen Xian-Hao Long Li-Hong Lan Qian He |
| Institution: | 1. College of Chemistry and Chemical Engineering, Guangxi University, Nanning 530004, China 2. Key Laboratory of Chemical and Biological Transformation Process of Guangxi Higher Education Institutes, School of Chemistry and Chemical Engineering, Guangxi University for Nationalities, Nanning 530006, China 3. college of Resources and Metal urgy, Guangxi University, Nanning 530004, China |
| Abstract: | 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 CrO 4 2? 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 CrO 4 2? species adsorb energetically at the Pb-S bond site, and the presence of O2 can enhance this adsorption. |
| Keywords: | flotation potassium dichromate galena adsorption thermodynamics density functional theory |
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