Entrapment of radioactive noble gases using metal-organic frameworks

Radioactive Xe and Kr are produced from nuclear reactors, spent nuclear fuel reprocessing plants and postulated nuclear accident scenarios. These gases are volatile and their release to environment should be avoided in the context of nuclear safety. Currently, expensive cryogenic distillation process is employed for the entrapment of noblegases. Adsorption of Xe and Kr on porous material can provide a cost effective technology for the capture of noble gases (Ng). The conventional porous materials like charcoal, alumina and zeolites lack superior selectivity and uptake capacity for the capture of Ng. Recently, metal-organic frameworks (MOFs) have been shown excellent selectivity and intake capacity for the separation of gas mixtures including noble gases. In the current paper, computational modelling of MOFs for entrapment of Xe and Kr are investigated. Our study shows that efficient MOFs can be designed by varying the metal atoms in the MOF network. (author)