Chrono-environnement - UMR 6249 CNRS/UFC
Campus de la Bouloie
16 rue de Gray
25030 Besançon cedex
France
Noah Perreau
PhD Student
POLLUTION
noah.perreau@-Code to remove to avoid SPAM-univ-fcomte.fr
room 310K (La Bouloie)
Supervisor :
noah-perreau
Zeolites – Tritium – Radiolyse – Physical chemistry – Density functional theory
Presentation
Tritium is a waste product from certain nuclear facilities, stored as tritiated water (HTO) in a hydrophilic molecular sieve, zeolite 4A. This water decomposes under its own radiation, generally resulting in the emission of hydrogen and oxygen into the zeolite containers. However, when the quantity of adsorbed water is below a certain threshold, the hydrogen and oxygen emitted are eventually re-adsorbed into the zeolite, a priori reforming water within it. Our aim is to model the microscopic phenomena that could explain this phenomenon, with the help of computational chemistry methods.
Publications
Journal articles
2023
- ref_biblio
- Joharimanitra Randrianandraina, Michael Badawi, Christophe Ramseyer, Bruno Cardey, Jean-Emmanuel Groetz, et al.. Effect of the water coverage on the interaction of O 2 and H 2 with the Na-LTA zeolite by first-principles simulations. Inorganic Chemistry Frontiers, 2023, 10 (2), pp.383-395. ⟨10.1039/d2qi01280d⟩. ⟨hal-04226791⟩
- Accès au bibtex