Molecular Dynamics Calculation of the Coordination Behavior of Yb (III) in Sodium Carbonate Solution
Qiaofa Lan,
Youming Yang,
Ziyu Xie
et al.
Abstract:Yb (III) shows complex behavior of coordination dissolution and precipitation in carbonate solutions, but the properties of CO32− coordination and hydration to Yb (III) in the solution have not been explicated. In this work, the dissolution rule of Yb (III) with CO32− concentration has been studied. The radial distribution function and the coordination number of CO32− and H2O to Yb (III) were calculated by molecular dynamics simulation, and the complex ion form of Yb was obtained. The ultraviolet–visible spect… Show more
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