Thermodynamics Research Center / ThermoML | Journal of Chemical Thermodynamics

Thermodynamic determination and assessment of the CsF-ThF4 system

Vozarova, N., Smith, A.L., Colle, J-Y., Raison, P.E., Bouexiere, D., Konings, R.J.M., Benes, O.
J. Chem. Thermodyn. 2017, 114, 71-82
ABSTRACT
In this study we present a comprehensive thermodynamic description of the binary CsF-ThF4 system. The phase equilibria of several intermediate compositions in this system have been determined using the DSC technique combined with a post-analysis using powder X-ray diffraction. Considering all the novel experimental data, a thermodynamic model for the CsF-ThF4 system has been developed for the first time using the Calphad approach. The present model reproduces very well the measurements performed. Knudsen effusion mass spectrometry (KEMS) has further been used to investigate the vapour pressure over the molten CsF-ThF4 salt and to determine the thermodynamic activities of CsF and ThF4 in the liquid solution. As part of this study, the vaporization of pure CsF was examined and the results were compared with the literature showing a good agreement. Next, the vapour pressure of CsF-ThF4 in the liquid solution was investigated by measuring three samples with compositions X ThF4 = (0.4, 0.6, 0.8) mol/mol. A strong negative deviation from Raoult s law was observed for both species, more evident in case of CsF, and a good agreement with the predictions of our thermodynamic model was found. This article is a prerequisite for the assessment of the ternary LiF-CsF-ThF4 system.
Compounds
# Formula Name
1 CsF cesium fluoride (CsF)
2 F4Th thorium tetraluoride
Datasets
The table above is generated from the ThermoML associated json file (link above). POMD and RXND refer to PureOrMixture and Reaction Datasets. The compound numbers are included in properties, variables, and phases, if specificied; the numbers refer to the table of compounds on the left.
Type Compound-# Property Variable Constraint Phase Method #Points
  • POMD
  • 1
  • Normal melting temperature, K ; Crystal
  • Crystal
  • Liquid
  • Air at 1 atmosphere
  • DTA
  • 1
  • POMD
  • 1
  • Vapor or sublimation pressure, kPa ; Crystal
  • Temperature, K; Crystal
  • Crystal
  • Gas
  • Calculated from knudsen effusion weight loss
  • 205
  • POMD
  • 1
  • Vapor or sublimation pressure, kPa ; Liquid
  • Temperature, K; Liquid
  • Liquid
  • Gas
  • Calculated from knudsen effusion weight loss
  • 49
  • POMD
  • 2
  • Normal melting temperature, K ; Crystal
  • Crystal
  • Liquid
  • Air at 1 atmosphere
  • DTA
  • 1
  • POMD
  • 2
  • Vapor or sublimation pressure, kPa ; Crystal
  • Temperature, K; Crystal
  • Crystal
  • Gas
  • Calculated from knudsen effusion weight loss
  • 134
  • POMD
  • 2
  • Vapor or sublimation pressure, kPa ; Crystal
  • Temperature, K; Crystal
  • Crystal
  • Gas
  • Calculated from knudsen effusion weight loss
  • 134
  • POMD
  • 2
  • Vapor or sublimation pressure, kPa ; Liquid
  • Temperature, K; Liquid
  • Liquid
  • Gas
  • Calculated from knudsen effusion weight loss
  • 54
  • POMD
  • 2
  • Vapor or sublimation pressure, kPa ; Liquid
  • Temperature, K; Liquid
  • Liquid
  • Gas
  • Calculated from knudsen effusion weight loss
  • 54
  • POMD
  • 1
  • 2
  • Solid-liquid equilibrium temperature, K ; Liquid
  • Mole fraction - 2; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal of unknown type
  • DTA
  • 15