Determination and modeling of the thermodynamic properties of liquid calcium-antimony alloys

Sophie Poizeau, Hojong Kim, Jocelyn M. Newhouse, Brian L. Spatocco, Donald R. Sadoway

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Abstract

The thermodynamic properties of Ca-Sb alloys were determined by emf measurements in a cell configured as Ca(s)|CaF 2|Ca-Sb over the temperature range 550-830°C. Activity coefficients of Ca and Sb, enthalpy, Gibbs free energy, and entropy of mixing of Ca-Sb alloys were calculated for x Ca < 0.55. To explain the connection between short-range order of liquid Ca-Sb alloys and the strong deviation from ideality in the thermodynamic properties, two thermodynamic models were invoked and reconciled: the regular associated solution model, assuming the presence of a CaSb 2 associate, and the molecular interaction volume model (MIVM). For the first time, the MIVM was used successfully to model the activity coefficients of a system with high-melting intermetallics, reducing the number of fitting parameters necessary from 5 (regular associated model) to 2 (MIVM). From the interaction parameters optimized by fitting at 800°C, the activity coefficient of Ca was predicted at 650°C, with an average error of less than 0.6 in the emf value.

Original languageEnglish (US)
Pages (from-to)8-15
Number of pages8
JournalElectrochimica Acta
Volume76
DOIs
StatePublished - Aug 1 2012

All Science Journal Classification (ASJC) codes

  • Chemical Engineering(all)
  • Electrochemistry

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