MILADI Eya: Spectroscopic and computational studies of actinides complexation with inorganic ligands

Thesis summary:

The overall goal of the project is to expand the level of knowledge and the thermodynamic database for actinides with relevance for long-term safety analyzes for the final storage of highly radioactive heat-producing nuclear waste. In addition, this project aims at understanding the optical properties of radioelements in solution by performing experiments coupled with high precision quantum chemical calculations. This co-supervised thesis will explore the electronic structure of actinide complexes with inorganic ligands through a joint Franco-German theoretical and experimental approach. At the Physique des Lasers Atomes et Molécules (PhLAM) laboratory at the University of Lille, structures, spectra, and thermodynamic quantities will be predicted by quantum chemical calculations of electronic structures, at the best state of the art. At the Institute of Resource Ecology at HZDR in Dresden, synthesis and experimental characterizations of relevant systems, for which data are non-existent or incomplete, will be performed. The determined thermodynamic complexation constants at infinite dilution, the ion interaction coefficients ε(j;k) (specific ion interaction theory SIT), and the thermodynamic functions will be implemented in the thermodynamic reference database THEREDA. The improved basic process understanding of the migration of actinides at higher ionic strengths and temperatures will enable a more reliable description of radionuclide transport for use in long-term safety assessments for repositories.

PhD student: MILADI Eya - LinkedIn

Thesis supervisors : REAL Florent - VALLET Valérie (PhLAM) | HUITTINEN Nina - JORDAN Norbert (HZDR)