Displacement of carbonates in Ca2UO2(CO3)3 by amidoxime-based ligands from free-energy simulations.
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DOI: 10.1039/c7dt03412a
Abstract: Amidoxime-based ligands are effective in uranium extraction by displacing carbonates in Ca2UO2(CO3)3, the dominant uranyl species in seawater. However, a detailed understanding of the displacement process has been lacking. Here we use classical molecular dynamics… read more here.
Keywords: based ligands; amidoxime based; ca2uo2 co3; free energy ... See more keywords