Abstract
The free energy of formation of bonaccordite (Ni2FeBO5) as a function of temperature has been calculated using a technique that combines first principles calculations with experimental free energies of formation of aqueous species. The results suggest that bonaccordite formation from aqueous metal ions (Ni2+ andFe3+) and boric acid is thermodynamically favorable at elevated temperature and pH that have been predicted to exist at the CRUD-clad interface in deposits thicker than 60 μm.
Original language | English |
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Pages (from-to) | 62-64 |
Number of pages | 3 |
Journal | Journal of Nuclear Materials |
Volume | 474 |
DOIs | |
State | Published - Jun 1 2016 |
Funding
This research was supported by the Consortium for Advanced Simulation of Light Water Reactors ( http://www.casl.gov/ ), an Energy Innovation Hub ( http://www.energy.gov/hubs ) for Modeling and Simulation of Nuclear Reactors under U.S. Department of Energy Contract No. DE-AC05-00OR22725 .