Dynamics and structure of iron hydroxide in high temperature and supercritical water
36th Annual CNS-CNA Student Conference - 2012 June 12

Presented at:
36th Annual CNS-CNA Student Conference
2012 June 12
Saskatoon, Canada
Session Title:
CNS/CNA Student Conference 2012

Yuan Liang Meng (Trent University )
Igor M. Svishchev (Proffesor )


In order to model the behaviour of neutral and ionic species in pressurized water reactor (PWR) and supercritical water reactor (SCWR) heat transport system, the dynamics and structure of iron hydroxide under sub and supercritical conditions are examined by using molecular dynamic (MD) simulation. Radial distribution functions (RDF), diffusion coefficients of Fe2+ are investigated; binding energy and IR spectra for different size clusters are also given.

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