(544dk) First-Principles Study of Hydrogen Dissociation on Plutonium Hydride
AIChE Annual Meeting
2018 AIChE Annual Meeting
Catalysis and Reaction Engineering Division
Poster Session: Catalysis and Reaction Engineering (CRE) Division
Wednesday, October 31, 2018 - 3:30pm to 5:00pm
Plutonium hydride is a metal solution that forms when plutonium is exposed to an excess of hydrogen gas. We investigate the properties of (100), (111), and (110) surfaces of PuH2 using density functional theory with spin polarization. We compare the adsorption, dissociation, and diffusivity of hydrogen on these surfaces.
This work performed under the auspices of the U.S. Department of Energy by Lawrence Livermore National Laboratory under Contract DE-AC52-07NA27344. Document release number LLNL-ABS-749570.