Basic study on system decontamination by iodine heptafluoride, 2; Formulate of potential model for deposition mechanism of uranium compound

Hata, Haruhi   ; Yokoyama, Kaoru; Sugitsue, Noritake; Hyakutake, Toru*; Muto, Akinori*; Sasakura, Mariko*; Minowa, Hirotsugu*; Suzuki, Kazuhiko*

As a first step to elucidate the molecular mechanism of decontamination systems for iodine heptafluoride, uranium hexafluoride and the metal (iron), the possibility of physical adsorption and chemical reactions with uranium hexafluoride and uranium tetrafluoride (solid), we investigate the possibility of physical adsorption and chemical reactions of this. Therefore, the intermolecular of uranium hexafluorides, iron and uranium hexafluoride, uranium tetrafluoride and uranium hexafluoride (solid) and evaluated by molecular orbital method to the intermolecular potential between, based on this data, MD law adhesion mechanism was estimated by uranium hexafluoride.