Decommissioning, Immobilisation and Storage
soluTIons for NuClear wasTe InVEntories

PuO2 and Fuel Residues

DISTINCTIVE is a multi-disciplinary collaboration of 10 universities and 3 key industry partners from across the UK’s civil nuclear sector. 

Modelling the surface chemistry of PuO<sub>2</sub> at the molecular level

Modelling the surface chemistry of PuO2 at the molecular level


Academic Lead – Nik Kaltsoyannis

Researcher – Bengt Tegner

University – University College London

It will also address the surface reactivity of water radiolysis products, e.g. OH and HO2 radicals, and specifically the possible formation of hydroxylated surfaces (PuO2OH (Pu(V)). As with the experimental programme, these processes will be studied both in the presence and absence of chloride impurities.

A fuller description this project, and how it fits into a broader programme entitled “Understanding the Interfacial Interactions of Plutonium Dioxide with Water” is given on the next page. This work would be in collaboration with experimental research led by Lancaster and Manchester Universities.

This PDRA-level project will focus on modelling quantum mechanically the adsorption of water onto the surface of PuO2 in order to obtain detailed information on structure of the surface and near-surface layers, and the energetics of adsorption.

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