Experimental investigation and thermodynamic modelling assessment of the AECl2–NdCl3 (AE = Sr, Ba) systems

The thermodynamic and thermo-physical properties of the binary salt systems AECl2–NdCl3 (AE = Sr, Ba) have been investigated using an experimental and modelling approach. The binary salt systems both include a single intermediate salt, i.e. Sr9Nd5Cl33 and Ba3Nd2Cl12, respectively. The structure of t...

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Bibliographic Details
Published in:Physical chemistry chemical physics : PCCP 2024-09, Vol.26 (36), p.24041-24057
Main Authors: Alders, D C, Cette, D J, Konings, R J M, Smith, A L
Format: Article
Language:English
Subjects:
Barium chloride
Modelling
Phase diagrams
Phase transitions
Physical properties
Polynomials
Solid solubility
Solid solutions
Strontium
Thermodynamic models
Thermodynamics
X-ray diffraction
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Summary:The thermodynamic and thermo-physical properties of the binary salt systems AECl2–NdCl3 (AE = Sr, Ba) have been investigated using an experimental and modelling approach. The binary salt systems both include a single intermediate salt, i.e. Sr9Nd5Cl33 and Ba3Nd2Cl12, respectively. The structure of these intermediates has been investigated with X-ray diffraction (XRD). Furthermore, these systems exhibit mutual solubility of NdCl3 in BaCl2 and SrCl2. The investigation of these solid solutions has been performed using quenching experiments and subsequent post-characterisation by XRD. Phase diagram equilibria have also been investigated using differential scanning calorimetry (DSC). Using the aforementioned information on phase transitions, intermediate compound formation, and solid solubility, thermodynamic assessment of the systems has been performed using the CALPHAD method. The model for the Gibbs energy of the liquid solution is the quasi-chemical formalism in the quadruplet approximation, while the model for the Gibbs energy of the solid solutions is the two-sublattice polynomial model.
ISSN:1463-9076
1463-9084
1463-9084
DOI:10.1039/d4cp01784f