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Simulation of Water Adsorption on PuO2 Surface
CHEN Piheng, DONG Ping, BAI Bin, LI Ju
CHINESE JOURNAL OF COMPUTATIONAL PHYSICS
2009, 26 (5):
786-790.
We simulate water adsorption on PuO2 surfaces with kinetic Monte Carlo.Desorption activity energies of layers are obtained by fitting experimental data of Statebake and Haschke et al.We predict TDMS of water at different temperature increasing rates,adsorption isothermal and adsorption isotonic curves at different temperatures and water partial pressures.
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