Jian-Hua Chen, Xian-Hao Long, Li-Hong Lan, and Qian He, Thermodynamics and density functional theory study of potassium dichromate interaction with galena, Int. J. Miner. Metall. Mater., 21(2014), No. 10, pp. 947-954. https://doi.org/10.1007/s12613-014-0994-6
Cite this article as:
Jian-Hua Chen, Xian-Hao Long, Li-Hong Lan, and Qian He, Thermodynamics and density functional theory study of potassium dichromate interaction with galena, Int. J. Miner. Metall. Mater., 21(2014), No. 10, pp. 947-954. https://doi.org/10.1007/s12613-014-0994-6
Jian-Hua Chen, Xian-Hao Long, Li-Hong Lan, and Qian He, Thermodynamics and density functional theory study of potassium dichromate interaction with galena, Int. J. Miner. Metall. Mater., 21(2014), No. 10, pp. 947-954. https://doi.org/10.1007/s12613-014-0994-6
Citation:
Jian-Hua Chen, Xian-Hao Long, Li-Hong Lan, and Qian He, Thermodynamics and density functional theory study of potassium dichromate interaction with galena, Int. J. Miner. Metall. Mater., 21(2014), No. 10, pp. 947-954. https://doi.org/10.1007/s12613-014-0994-6
College of Chemistry and Chemical Engineering, Guangxi University, Nanning, 530004, China
College of Resources and Metallurgy, Guangxi University, Nanning, 530004, China
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
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 CrO42− 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 CrO42− species adsorb energetically at the Pb-S bond site, and the presence of O2 can enhance this adsorption.
College of Chemistry and Chemical Engineering, Guangxi University, Nanning, 530004, China
College of Resources and Metallurgy, Guangxi University, Nanning, 530004, China
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
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 CrO42− 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 CrO42− species adsorb energetically at the Pb-S bond site, and the presence of O2 can enhance this adsorption.
下载: