Experimental and Computational Exploration of the NaF–ThF<sub>4</sub> Fuel System: Structure and Thermochemistry
Maarten B. J. W. Schreuder, Jaén A. Ocádiz Flores, Aïmen E. Gheribi, O. Beneš, Jean-Christophe Griveau, Éric Colineau, R.J.M. Konings, Anna L. Smith
Abstract
cations were introduced on the cationic sublattice alongside a 13-coordinated dimeric species to reproduce the chemical speciation, as calculated by EMD simulations and to provide a physical description of the melt.
Topics & Concepts
ThermochemistryChemistryThermodynamicsEnthalpyDifferential scanning calorimetryCalorimetryCALPHADHeat capacityPhase diagramPolarizabilityStandard enthalpy of formationPhysical chemistryPhase (matter)MoleculeOrganic chemistryPhysicsNuclear Materials and PropertiesMolten salt chemistry and electrochemical processesMetallurgical Processes and Thermodynamics