The extraction of trivalent actinides from complex mixtures of dissolved spent fuel is of vital importance for potential recycling efforts and current remediation and storage strategies of high level waste. While much effort has been dedicated toward empirical strategies for optimizing extraction efficiency under a variety of conditions, the underlying fundamental physical mechanisms of extraction are often uncertain and the role of different physical forces upon extraction thermodynamics and kinetics are understudied. Toward this end, we present the results of multiple endeavors, including the development and application of a novel post-processing molecular dynamics algorithm that is a more accurate way to determine solvent organization about solutes, a detailed analysis of the hydrophobic interaction at organic:aqueous interfaces, and the extraction thermochemistry of Np(III) complexes with acetylacetate as a model extracting ligand. In combination, these data are beginning to reveal the complex but tractable physical phenomena that influence extraction efficiency.

Role of solvent organization and hydrophobicity upon Np(III) extraction from water to pentane

243rd National Meeting (2012)

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