29 October 2017 to 3 November 2017
Australia/Sydney timezone

Radioactive Iodine-129 Capture in Mixed Cation Sodalites: ab initio modelling

1 Nov 2017, 16:00
Oral Presentation National and international collaborative waste management programs Ceramic and Glass-Ceramic Wasteforms


Dr EUGENIA KUO (Australian Nuclear Science and Technology Organisation)


Sodalites have been investigated experimentally for the capture and long-term containment of iodine-129, a significant and hazardous waste product of the nuclear fuel cycle. Sodalites are zeolite-type structures commonly occurring in nature in alkaline igneous rocks and having the prototype formula Na$_8$(AlSiO$_4$)$_6$Cl$_2$. The crystal structure is based around $\beta$-cages consisting of corner-sharing SiO$_4$ and AlO$_4$ tetrahedra. In the centre of the $\beta$-cage is an anion X. Iodine captured by sodalites sits in the centre of the $\beta$-cages as iodide anions. Silver iodide (AgI) plays an important role in the capture and subsequent processing of iodine-129 in the nuclear fuel cycle. Using *ab initio* density functional theory (DFT) modelling, we investigate the energetics and feasibility of iodine capture and containment in mixed cation sodalites Na$_{8-x}$Ag$_x$(AlSiO$_4$)$_6$I$_2$, and compare the results with experimental observations.

Primary author

Dr EUGENIA KUO (Australian Nuclear Science and Technology Organisation)


Dr Daniel Gregg (ANSTO) Dr Eric R Vance (ANSTO) Dr Gregory Lumpkin (ANSTO)

Presentation Materials

Your browser is out of date!

Update your browser to view this website correctly. Update my browser now