【摘 要】
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Goethite plays an important role in the formation and utilization of lateritic nickel ore.The goethite (010) surface is represented by a slab obtained by im
【机 构】
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Northeastern University, School of Materials & Metallurgy, Shenyang, 110004, P.R.China
【出 处】
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第五届国际湿法冶金学术会议(5th International Conference on Hydrometallurg
论文部分内容阅读
Goethite plays an important role in the formation and utilization of lateritic nickel ore.The goethite (010) surface is represented by a slab obtained by imposing periodic boundary conditions to a supercell.We have studied the surface energetic heterogeneity and underlying Ni(Ⅱ) adsorption on goethite (010) facet mechanisms theoretically using density-functional theory.Results of optimizations are presented, including estimate energies of Ni(Ⅱ) binding to the surface and adsorption as a function of pH and background electrolyte.It is shown that the pH value had remarkable influence on the Ni(Ⅱ) bind to the surface.The adsorption of nickel could be very hard while the pH value is less than 2.5.
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