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2001 (1)
1Author    Masahiko Matsumiya, Ryuzo Takagi3Requires cookie*
 Title    Molecular Dynamics Study on the Adsorption Selectivity for Negative Elements in Aluminosilicates  
 Abstract    For the pyrochemical reprocessing o f spent metallic nuclear fuels in molten salt baths it is important to investigate the adsorption selectivity o f cations in aluminosilicates. A molecular dynamics simulation has been performed on sodalite and zeolite with exchangeable monovalent and multivalent cationic fission products at 673 K in order to calculate their self-diffusion coefficients in the aluminosilicate framework and estimate the selectivity o f the exchangeable cations. The results enables us to conclude that the self-diffusion coefficients of monovalent cations decrease with increasing ionic radius. The order of the adsorption selectivity is Li < K < Na < Cs in sodalite and Li < Na < K < Cs in zeolite. The self-diffusion coefficients of multivalent cations are almost independent o f the ionic radius, and these cations are in aluminosilicates more stable than monovalent cations. The results are consistent with the experimental results. 
  Reference    Z. Naturforsch. 56a, 459—165 (2001); received February 9 2001 
  Published    2001 
  Keywords    Adsorption Selectivity, Aluminosilicates Framework, Molecular Dynamics Simulation, Negative Elements, Self-diffusion Coefficient, Sodalite, Zeolite 
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 TEI-XML for    default:Reihe_A/56/ZNA-2001-56a-0459.pdf 
 Identifier    ZNA-2001-56a-0459 
 Volume    56