Corrosion in the SCWR: Insights from Molecular Dynamics Simulations of the Supercritical Water - Iron Hydroxide Interface
37th Annual CNS-CNA Student Conference - 2013 June 11

Presented at:
37th Annual CNS-CNA Student Conference
2013 June 11
Toronto, Canada
Session Title:
Student Conference Session

Dimitrios Kallikragas (Trent University)
Andriy Plugatyr (Trent University)
Igor Svishchev (Trent University)


The adsorption properties of supercritical water confined between parallel iron (II) hydroxide surfaces were determined through molecular dynamics simulations. Simulations were conducted at temperatures and water densities typically found in the heat transport system of the supercritical water cooled nuclear reactor (SCWR). Surface water layer densities were compared to those of the bulk water. Adsorption coverage was calculated as a function of the number of waters per surface OH group. Images of the water molecules configurations are provided along with the density profile of the adsorption layer. The observed localized adsorption and surface clustering of supercritical water, would likely produce more localized corrosion phenomena in the water bearing components of the SCWR.

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