Theoretical assessment of bonaccordite formation in pressurized water reactors
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.
- Authors:
-
- North Carolina State Univ., Raleigh, NC (United States)
- Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States)
- Los Alamos National Lab. (LANL), Los Alamos, NM (United States)
- Publication Date:
- Research Org.:
- Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States)
- Sponsoring Org.:
- USDOE
- OSTI Identifier:
- 1261358
- Alternate Identifier(s):
- OSTI ID: 1359408
- Grant/Contract Number:
- AC05-00OR22725
- Resource Type:
- Accepted Manuscript
- Journal Name:
- Journal of Nuclear Materials
- Additional Journal Information:
- Journal Volume: 474; Journal ID: ISSN 0022-3115
- Publisher:
- Elsevier
- Country of Publication:
- United States
- Language:
- English
- Subject:
- 22 GENERAL STUDIES OF NUCLEAR REACTORS
Citation Formats
Rak, Zsolt, O'Brien, Chris, Shin, Dongwon, Andersson, Anders David, Stanek, Christopher, and Brenner, Donald. Theoretical assessment of bonaccordite formation in pressurized water reactors. United States: N. p., 2016.
Web. doi:10.1016/j.jnucmat.2016.02.016.
Rak, Zsolt, O'Brien, Chris, Shin, Dongwon, Andersson, Anders David, Stanek, Christopher, & Brenner, Donald. Theoretical assessment of bonaccordite formation in pressurized water reactors. United States. https://doi.org/10.1016/j.jnucmat.2016.02.016
Rak, Zsolt, O'Brien, Chris, Shin, Dongwon, Andersson, Anders David, Stanek, Christopher, and Brenner, Donald. Fri .
"Theoretical assessment of bonaccordite formation in pressurized water reactors". United States. https://doi.org/10.1016/j.jnucmat.2016.02.016. https://www.osti.gov/servlets/purl/1261358.
@article{osti_1261358,
title = {Theoretical assessment of bonaccordite formation in pressurized water reactors},
author = {Rak, Zsolt and O'Brien, Chris and Shin, Dongwon and Andersson, Anders David and Stanek, Christopher and Brenner, Donald},
abstractNote = {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.},
doi = {10.1016/j.jnucmat.2016.02.016},
journal = {Journal of Nuclear Materials},
number = ,
volume = 474,
place = {United States},
year = {Fri Mar 04 00:00:00 EST 2016},
month = {Fri Mar 04 00:00:00 EST 2016}
}
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Works referencing / citing this record:
Negative Surface Energies of Nickel Ferrite Nanoparticles under Hydrothermal Conditions
journal, October 2019
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