Postdoctoral subject 
Theoretical study of the gas-phase reactivity of iodine- and cesium-
containing compounds.

1. Research framework: 
This postdoctoral position is hosted at IRSN (Institut de Radioprotection 
et de Sûreté Nucléaire (http://www.irsn.fr), at the Major Accident 
Prevention Division (DPAM), at Cadarache site (F-13).
IRSN, composed with 1500 persons, is an institute which performs research 
and expertise in radiation protection, safety of civil and military 
nuclear facilities, and safety and security of nuclear material transport.
This research work is part of an international research programme 
called, « source term », involving many organisations as for instance, EDF 
or the Nuclear Regulatory Commission (the US safety authority).   
A scientific support is provided by the Laboratory PC2A located at Lille 
(http://www.univ-lille1.fr/umr8522/), research unit specialized in the 
field of kinetics where the postdoctoral fellow will be brought to regular 
visits and stays for scientific exchanges.
2. Context 
In the event of a severe accident occurring to a pressurised water 
reactor, fission products can be released from fuel core and be 
transported under aerosol and gaseous forms through the reactor coolant 
system (RCS). During this transport, gaseous species can react depending 
on boundary conditions like temperature, pressure, flow rates … 
All these potential reactions are characterised by their kinetics which 
govern the chemical composition evolution of the gaseous mixture in the 
RCS. Chemical models implemented in the severe accident simulation 
softwares consider that chemical species are in equilibrium in the RCS 
whatever the thermal-hydraulic conditions are. This basic assumption is 
not systematically valid because first, species can be present in weak 
concentrations, and second, high thermal gradients also exist in the RCS 
under certain thermo-hydraulic conditions. 
IRSN/DPAM has launched an experimental programme, called CHIP (CHimie de 
l’Iode dans le circuit Primaire), to get experimental data relative to 
gaseous reaction kinetics occurring in the RCS. Within this framework, 
the « Laboratoire d’Etudes du corium et du Transfert de Radioéléments » 
(LETR) is in charge of the analysis and interpretation of the experiments. 
This postdoctoral position is in the modelling scope, in support to the 
CHIP interpretation tests.  
3. Subject 
The subject consists in studying chemical systems involving iodine and 
other fission products caesium …), in weak concentration compared to a 
carrier gas composed of a mix of hydrogen and steam, and undergoing heat 
gradients. More precisely, thermodynamic and kinetic parameters of 
reactions occurring in gas phase will be calculated using quantum 
chemistry tools. 
4. Skills  
The candidate should have a solid doctoral training formation in the 
domain of molecular quantum chemistry applied to gas phase. 
Use of quantum chemistry softwares like Gaussian or Molcas is required. 
Some knowledge in numerical methods and programming will also be a bonus.
5. Contact 
Applicants should send complete and detailed curriculum vitae to these 2 
contacts:

Laurent Cantrel 
CE Cadarache
IRSN/DPAM/SEMIC/LETR
Email : [log in to unmask]
Tél : 04.42.19.94.50

And to

Florent Louis
PC2A Université de Lille
Email : [log in to unmask]
Tél : 03.20.33.63.32

Sébastien Canneaux
PC2A Université de Lille
Email : [log in to unmask]
Tél : 03.20.43.49.85

- Starting date: 1st Nov. 2007
- Salaries: around 2700 € brut according to diploma and formation
- Duration: 1 year, with possibility to extent 1 year more

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