[2M14-17] アクシデント化学2

[2M14] Investigation of in-reactor cesium chemical behavior in TEPCO’s Fukushima Daiichi Nuclear Power Station accident

(4)Quantum modelling of Cs substances in the case of LWR severe accident

*Faoulat Miradji^2,1, Chikashi Suzuki¹, Kunihisa Nakajima^2,1, Masahiko Osaka^2,1 (1. JAEA, 2. IRID)

キーワード：Cesium , silicates, DFT, Thermodynamic

Theoretical calculations were conducted in order to provide the unknown thermochemical properties of Cs-Si-Fe-O systems for the establishment of Cs chemisorption model based on the mass transfer theory. The computational methodology was validated by calculating the thermal properties of Cs₂Si₄O₉ revealing a good agreement with the literature data.