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Kimichika Fukushima, Yukio Ugawa, Hiroshi Endo, Yoshihisa Shindo, Isao Tatewaki, Kazuo Haga and Masaaki Inoue Molecular dynamics approach to sodium–water reaction compensating macroscopic heat and mass flow dynamics for LMFBR safety International Journal of Quantum Chemistry 112

Version of Record online: 19 JUN 2012 | DOI: 10.1002/qua.24240

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In a liquid metal cooled fast breeder nuclear reactor pressurized water vapor can accidentally leak into the sodium in the secondary system, generating heat. Thus, understanding the sodium–water reaction in a heat exchanging steam generator is of paramount importance to ensure the safety of the facility. The potential energy and reaction rate of the reaction are calculated in this work using a combination of DFT, classical molecular dynamics, and macroscopic flow dynamics.

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