Theoretical assessment of bonaccordite formation in pressurized water reactors

Zs Rak, C. J. O'Brien, D. Shin, A. D. Andersson, C. R. Stanek, D. W. Brenner

Research output: Contribution to journalArticlepeer-review

4 Scopus citations

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 languageEnglish
Pages (from-to)62-64
Number of pages3
JournalJournal of Nuclear Materials
Volume474
DOIs
StatePublished - 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 .

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