A theoretical study of Ti nanoparticle effect on sodium water reaction: Using ab initio calculation
SCIE
SCOPUS
- Title
- A theoretical study of Ti nanoparticle effect on sodium water reaction: Using ab initio calculation
- Authors
- Soo Jae Kim; Gunyeop Park; Kim, MH; Hyun Sun Park; Baek, J
- Date Issued
- 2015-01
- Publisher
- ELSEVIER SCIENCE SA
- Abstract
- The sodium water reaction (SWR) is a serious impediment to development of sodium fast cooled nuclear reactors. The reaction can be suppressed by suspending 2 at% of 10-nm Ti nanoparticles (NPs) in liquid Na, but the mechanisms by which the Ti NPs suppress the SWR are not known. In this study, ab initio calculation revealed a strong chemical bond with interaction strength 1.65 eV (64.5 kT at 298 K) between Na atoms and the Ti NP surface. We postulate that this interaction with Ti atoms causes a layer of Na atoms to form on the Ti NP surface, and that this layer increases both hydration energy and the activation energy required to initiate SWR. As a result, these interactions suppress the SWR by reducing effective reaction area. (C) 2014 Elsevier B.V. All rights reserved.
- URI
- https://oasis.postech.ac.kr/handle/2014.oak/27242
- DOI
- 10.1016/J.NUCENGDES.2014.10.019
- ISSN
- 0029-5493
- Article Type
- Article
- Citation
- Nuclear Engineering and Design, vol. 281, page. 15 - 21, 2015-01
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