Molar heat capacity and thermodynamic functions of zirconolite CaZrTi2O7

Brian F. Woodfield, Juliana Boerio-Goates, Jennifer L. Shapiro, Robert L. Putnam, Alexandra Navrotsky

Research output: Contribution to journalArticlepeer-review

70 Scopus citations

Abstract

Zirconolite (CaZrTi2O7) has been proposed as a host phase for excess weapons plutonium, and the standard molar entropy ΔA298.15 K0 Som and other derived thermodynamic functions are needed to describe it completely. The heat capacity of CaZrTi2O7 has been measured from T ≈ 20 K to T ≈ 400 K with an adiabatic calorimeter. A six-term fitting equation based on Debye and Einstein functions has been shown to represent the heat capacity over the entire range of temperature to within the experimental uncertainty. This equation has been used to calculate the thermodynamic functions to T = 400 K and to extrapolate these functions to T = 1500 K. In particular, Δ298.15 K0 Som for CaZrTi2O7 is 193.3 J · K-1 · mol-1.

Original languageEnglish (US)
Pages (from-to)245-253
Number of pages9
JournalJournal of Chemical Thermodynamics
Volume31
Issue number2
DOIs
StatePublished - Feb 1999
Externally publishedYes

Keywords

  • CaZrTiO
  • Entropy
  • Heat capacity
  • Nuclear waste
  • Plutonium disposition
  • Zirconolite

ASJC Scopus subject areas

  • Atomic and Molecular Physics, and Optics
  • Materials Science(all)
  • Physical and Theoretical Chemistry

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