In response to increased energy demands and the desire to reduce the emission of greenhouse gases, the use of nuclear power is projected to dramatically increase in the near future. Along with the rise in nuclear waste generation, management of high-level waste is ever more relevant. Transuranium actinides (e.g. neptunium, americium, and curium) are of particular interest as these elemental isotopes have been identified as the major contributors to the long-term radiotoxicity and are the main targets for transmutation. Even so, satisfactory transmutation can only be achieved after the separation of the actinides from lanthanide fission products, a scientific challenge that has puzzled scientists since the discovery of transuranium actinides. As actinide partitioning shifted to utilize solvent extraction techniques in the 1940s, organophosphorus acids have been extensively explored with many studies focusing attention towards alkyl phosphorus acids as “cation exchangers”. Herein, bis(2-ethylhexyl)phosphoric acid (HDEHP), 2-ethylhexylphosphonic acid mono 2-ethylhexyl ester (HEHEHP), and bis(2-ethylhexyl)phosphinic acid (HBEHP) in biphasic n-dodecane + water solution have been investigated by molecular dynamics simulation. Specifically, intermolecular interactions were probed and interfacial dynamics of each respective extractant were scrutinized to further understand the impact of head group polarity (phosphorus acid unit) on solution dynamics.<br/>

Investigations of di-alkyl phosphoric acids and derivatives for liquid-liquid extractions: Molecular dynamics investigation

Macromolecular Chemistry: The Second Century

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ACS Spring 2020 National Meeting & Expo

The official archive and repository for all ACS Meetings & Expositions abstracts and select posters or presentations.