Energetics of cation mixing in urania-ceria solid solutions with stoichiometric oxygen concentrations

Benjamin E. Hanken, Tatiana Y. Shvareva, Niels Grønbech-Jensen, Christopher R. Stanek, Mark Asta, Alexandra Navrotsky

Research output: Contribution to journalArticlepeer-review

9 Scopus citations

Abstract

Cation mixing energetics in urania-ceria solid solutions with stoichiometric oxygen concentrations (U 1-yCe yO 2) have been measured by high-temperature oxide-melt drop-solution calorimetry. Measurements have been performed on eight samples with compositions spanning y = 0.119 to y = 0.815. The measured mixing enthalpies (ΔH mix) range from -0.6 ± 3.3 to 3.9 ± 3.0 kJ mol -1. These values are discussed in the context of results from atomistic modeling which take into consideration the possibility of charge transfer between uranium and cerium cations to form solid solutions with mixed charge states. A comparison between measured and calculated results for ΔH mix suggests that such charge transfer takes place to a limited extent in the most concentrated mixtures studied.

Original languageEnglish (US)
Pages (from-to)5680-5685
Number of pages6
JournalPhysical Chemistry Chemical Physics
Volume14
Issue number16
DOIs
StatePublished - Apr 28 2012
Externally publishedYes

ASJC Scopus subject areas

  • Physics and Astronomy(all)
  • Physical and Theoretical Chemistry

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