PhD, 3 years, "Solvent extraction: study of a liquid / liquid interface containing ligands by various techniques and molecular dynamics simulation."
In order to understand and to model the ion transfer in a solvent extraction process, it is important to probe the liquid interface between two immiscible media, typically an aqueous phase with ions and an organic phase with some amphiphilic ligands. From an experimental point of view, various techniques such as surface tension, nonlinear optics, the neutron and x-ray reflectivity, the interferometry in droplet will be combined to extract the maximum of information on the statics and dynamics of these interfaces. The results of the distribution of each species across the interface will be compared with those obtained by molecular dynamics modeling, a simulation developed also during the PhD program.
Therefore, variations in chemical potential will be evaluated by molecular dynamics and compared with those determined by the experiments to eventually predict the behavior of various extractants in their effectiveness in extracting and separating ions for the recycling of metals containing waste, considering the previous studies in bulk solutions and from hydrodynamic analysis of the processes.
Laboratory : L2IA (Olivier Diat)
Thesis supervisor : Olivier Diat
Personn to contact : Olivier Diat et Philippe Guilbaud (CEA/DRCP; philippe.guilbaud ad cea.fr))
Starting date : october 2016
Funding CEA garantee
Annoncement reference : SL-DEN-16-0104