Abstract
The uranium extraction plays an essential role in the nuclear fuel cycle. The extraction using mesoporous silica solid supports represents a promising alternative to the liquid-liquid extraction processes. In fact, the compactness of these solid supports, the facility of implementation associated to the reduction of organic effluents give to this system great competitive advantage. This kind of systems has already been studied experimentally within the framework of two PhD students in the CEA (Atomic Energy Commission). Thus, the objective of this research, centered on theoretical chemistry studies (especially by molecular dynamics), is to rationalize the behaviors that have been experimentally observed and to provide comprehension elements about the involved mechanisms. In order to do this, the uranium (VI) coordination at the interface within the solid phase and the aqueous phase, the influence of diverse structural parameters of the solid support, and the chemical conditions of the uranium speciation will be studied.