showing 2 related works from this author
Self-Radiolysis of Tritiated Water Stored in Zeolites 4A: Production and Behavior of H 2 and O 2
2015
International audience; Radiolysis of confined water and self-radiolysis of tritiated water give rise to several unanswered questions. To take into account this double specificity, we studied systems of zeolites 4A containing tritiated water at different water loading ratios. Two tritiated waters were synthesized at the volumetric activities of 27 and 60 TBq L −1. For each one, five samples were prepared, differentiated by their water loading ratios, expressed in percentage, close to 4%, 7%, 11%, 14%, and 19%. The study of the radiolysis in those systems revealed a double role of zeolites 4A: first, they increase the decomposition of water. Then they enhance the recombination of the major s…
Adsorption of water in Na-LTA zeolites: an ab initio molecular dynamics investigation
2021
The very wide range of applications of LTA zeolites, including the storage of tritiated water, implies that a detailed and accurate atomic-scale description of the adsorption processes taking place in their structure is crucial. To unravel with an unprecedented accuracy the mechanisms behind the water filling in NaA, we have conducted a systematic ab initio molecular dynamics investigation. Two LTA structural models, the conventional Z4A and the reduced one ZK4, have been used for static and dynamic ab initio calculations, respectively. After assessing this reduced model with comparative static DFT calculations, we start the filling of the α and β cages by water, molecule by molecule. This …