Theoretical assessment of bonaccordite formation in pressurized water reactors

Rak, Zsolt; O'Brien, Chris; Shin, Dongwon; Andersson, Anders David; Stanek, Christopher; Brenner, Donald

doi:10.1016/j.jnucmat.2016.02.016

Title: Theoretical assessment of bonaccordite formation in pressurized water reactors

Journal Article · Fri Mar 04 00:00:00 EST 2016 · Journal of Nuclear Materials

DOI:https://doi.org/10.1016/j.jnucmat.2016.02.016· OSTI ID:1261358

Rak, Zsolt ^[1]; O'Brien, Chris ^[1]; Shin, Dongwon ^[2]; Andersson, Anders David ^[3]; Stanek, Christopher ^[3]; Brenner, Donald ^[1]

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)

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.

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Research Organization:: Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States)

Sponsoring Organization:: USDOE

Grant/Contract Number:: AC05-00OR22725

OSTI ID:: 1261358

Alternate ID(s):: OSTI ID: 1359408

Journal Information:: Journal of Nuclear Materials, Vol. 474; ISSN 0022-3115

Publisher:: ElsevierCopyright Statement

Country of Publication:: United States

Language:: English

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Cited by: 2 works

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Cited By (1)

Negative Surface Energies of Nickel Ferrite Nanoparticles under Hydrothermal Conditions Rák, Zs.; Brenner, D. W. Journal of Nanomaterials, Vol. 2019 https://doi.org/10.1155/2019/5268415	journal	October 2019

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