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Iino, Chiaki*; Okumoto, Shunsuke*; Oda, Masato*; Nara, Jun*; Muraguchi, Masakazu*; Ishii, Hiroyuki*; Honda, Mitsunori
no journal, ,
Weathered Biotite (WB) with Cs adsorbed on it is removed of less than 99.9999% of Cs by the molten salt method, and crystalline minerals such as Augite and Wadalite are synthesized. In order to elucidate the reaction mechanism of the synthesis of Wadalite, a comparative study of chemical potentials was conducted to investigate the stable structures and electronic properties of WB and Wadalite before and after the reaction, using first-principles calculations.
Okumoto, Shunsuke*; Iino, Chiaki*; Oda, Masato*; Muraguchi, Masakazu*; Hayakawa, Kosetsu*; Ishii, Hiroyuki*; Honda, Mitsunori
no journal, ,
As part of research and development for environmental restoration of Fukushima, we have conducted study on Cs removal from weathered biotite using molten salt method. 99.9999% or less of Cs removal and formation of crystalline minerals such as ordinary Augite and wadalite were confirmed, but the atomic-level reaction mechanism of the reaction process and products is necessary. In this study, the stable structure of wadalite was investigated using first-principles calculations, and the reaction mechanism was investigated using the obtained stable structure.