A refined analysis of oxygen potential of MyU1-yO2+x (M = M3+and M2+) by lattice statistics based on the grand partition function and the Flory methods

Takeo Fujino, Nobuaki Sato, Kohta Yamada

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11 Citations (Scopus)

Abstract

Partial molar thermodynamic quantities (ΔGO2, ΔSO2and ΔHO2) of solid solutions MyU1-yO2+x (M = M3+and M2+, x{greater-than above equal above less-than}0) were calculated using a cation-cation complex model in combination with the lattice statistics based on the grand partition function method or the Flory method. With these refined methods, configurational entropies were obtained without any discrepancies between the numbers of lattice sites and the sum of ions and complexes. The cation-cation complex model assumes the formation of (M3+U5+) complex for My3U1-yO2+x while two kinds of complexes, i.e. (M2+U5+) and M2+2U5+ for My2+U1-yO2+x. The experimental results that the steepest change of ΔGO2 arises at x < 0 for My2+U1-yO2+x were well explained by the relation of this model, i.e. x = -(1 - α/2)y with 1 < α < 2. The calculated ΔGO2 values were in good agreement with the experimental results for lanthanum, magnesium and europium solid solutions.

Original languageEnglish
Pages (from-to)6-19
Number of pages14
JournalJournal of Nuclear Materials
Volume223
Issue number1
DOIs
Publication statusPublished - 1995 May 1

ASJC Scopus subject areas

  • Nuclear and High Energy Physics
  • Materials Science(all)
  • Nuclear Energy and Engineering

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