2 papers
physics.chem-ph2019
Accurate Predictions of Volatile Plutonium Thermodynamic Properties
Sophie Kervazo, Florent Réal, François Virot +2
The ability to predict the nature and amounts of plutonium emissions in industrial accidents, such as in solvent fires at PUREX nuclear reprocessing facilities, is a key concern of…
physics.chem-ph2017
Facing the challenge of predicting the standard formation enthalpies of n-butyl-phosphate species with ab initio methods
Mohamad Saab, Florent Réal, Martin Šulka +3
Tributyl-phosphate (TBP), a ligand used in the PUREX liquid-liquid separation process of spent nuclear fuel, can form explosive mixture in contact with nitric acid, that might lead…