Computational screening of ionic liquids as solvents for reprocessing of spent nuclear fuel

Abstract

COSMO-RS method was used in screening 2106 ionic liquids as alternate solvents to volatile n-dodecane used in PUREX. The distribution coefficients of uranylnitrate in ionic liquids/aqueous nitric acid biphasic system and the solubility of the ionic liquids in water were determined using COSMO-RS. Seventeen ionic liquids based on tetrafluoroborate BF 4 , were the most hydrophobic than others screened with hexamethylguanidiumtetrafluoroborate having the highest distribution coefficient. Their distribution coefficients were higher than that of the convention n-dodecane used for separation of uranium and plutonium from spent nuclear fuel but having more hydrophilicity than n-dodecane. This shows that ionic liquids can be used as alternate solvents in PUREX.