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First-principles calculations to elucidate the molten salt reaction mechanism of cesium adsorbed weathered biotite.

Iino, Chiaki*; Okumoto, Shunsuke*; Oda, Masato*; Nara, Jun*; Muraguchi, Masakazu*; Ishii, Hiroyuki*; Honda, Mitsunori   

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.

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