American Nuclear Society
Home

Home / Publications / Journals / Fusion Science and Technology / Volume 50 / Number 1 / Pages 33-42

Detritiation of Plasma-Facing Carbon Materials in Fusion Devices: The Role of Atomic Oxygen from a Quantum Molecular Dynamics Viewpoint

A. Jelea, F. Marinelli, Y. Ferro, A. Allouche, C. Brosset

Fusion Science and Technology / Volume 50 / Number 1 / July 2006 / Pages 33-42

Technical Paper

Quantum molecular dynamics calculations at constant temperature have been carried out in order to study the interaction between atomic oxygen and a hydrogen saturated graphite surface. It has been shown that atomic oxygen reacts at 300 K with the adsorbed hydrogen atoms to form hydroxyl radicals and water molecules. Part of these residue radicals adsorbs on the graphite forming hydroxylated structures. A study on the stability of these structures has shown that OH radical desorption begins at 500 K and formation of water molecules occurs by reaction between a desorbed hydroxyl radical and a hydrogen atom extracted from a neighboring adsorbed hydroxyl. The water molecules only very slightly interact with the graphite surface and are ejected into the gas phase.

 
Questions or comments about the site? Contact the ANS Webmaster.
advertisement