Synopsis
1 Introduction.- 1.1 Reactor Accident Analysis and Fuel Equation of State.- 1.2 The Role of Equation of State.- 1.3 Equation of State for Liquid UO2: Historical.- 1.4 Summary of the New Equation of State Features.- 1.5 General Notations.- 2 Governing Equations and Fundamental Formulae.- 2.1 Introduction.- 2.2 The Concept of Equation-of-State.- 2.3 Model Equations of State.- 2.3.1 Ideal Gas.- 2.3.2 Ideal Reacting Gas.- 2.3.3 Hard Bodies.- 2.3.4 Soft Spheres.- 2.3.5 Van der Waals' Model.- 2.3.6 Lennard-Jones Fluid.- 2.3.7 Charged Spheres.- 2.3.8 Composite Models.- 2.4 Physical and Chemical Models in Thermodynamics of Reacting Fluids.- 2.4.1 The Concept of Composition.- 2.4.2 Neutral Models of UO2±x.- 2.4.3 Ionic Models.- 2.4.4 MIX Models.- 2.5 Conclusions.- 3 Ionic Models for Liquid Urania.- 3.1 Restricted Primitive Ionic Model.- 3.2 Extended Ionic Model.- 3.3 Local Equations of State for the Liquid Phase: General Requirements.- 3.4 Improved Restricted Primitive Ionic Model.- 3.5 Compatibility Conditions.- 3.6 Determination of the Coulomb Contribution.- 3.7 Conclusions.- 4 Gas-Liquid Coexistence in Uranium Dioxide.- 4.1 General Conditions of the Phase Equilibrium.- 4.1.1 Single-Component Fluids.- 4.1.2 Chemically Reactive Systems without Ionisation.- 4.1.3 Congruently Coexisting (Azeotropic) Compositions.- 4.1.4 Extremal Properties of the Thermodynamic Functions in the Azeotropic Points.- 4.1.5 Systems of Charged Species.- 4.1.6 Chemically Reacting Fluids with Ionisation.- 4.2 Calculation of the Equilibrium Composition and Thermodynamic Functions.- 4.3 General Structure of the Liquid-Vapour Phase Boundaries in UO2±x.- 4.4 Equilibrium Properties and Composition of UO2±x.- 4.4.1 Liquid Phase at Low Temperatures.- 4.4.2 Vapour Phase without Ionisation.- 4.4.3 Partially Ionised Vapour Phase.- 5 Application of the Chemical Model within the van der Waals Approximation.- 5.1 Non-Congruent Evaporation over UO2±x.- 5.1.1 Assumptions.- 5.1.2 Calibration.- 5.1.3 Results.- 5.2 Oxygen Potential.- 5.2.1 Simplified Calibration Procedure.- 5.2.2 Calibration in the Case of Non-Congruent Evaporation.- 5.3 Composition of the Liquid Phase.- 5.4 Discussion.- 5.5 Justification of the MIX Models.- 6 New Equation of State for Fluid Uranium Dioxide Based on Thermodynamic Perturbation Theory.- 6.1 Thermodynamic Perturbation Theory.- 6.1.1 Simple Fluids.- 6.1.2 One-Fluid Approximation.- 6.2 Fluids Composed of Molecules with Anisotropic Interaction.- 6.2.1 Averaged Diameter of Non-Spherical Molecules.- 6.2.2 Effective Molecular Diameter.- 6.2.3 Estimation of the Anisotropy Parameter.- 6.3 Conclusions.- 7 Thermodynamic Properties of UO2, as Predicted by the New Equation of State.- 7.1 Summary of the Model Features.- 7.2 Calibration.- 7.3 Validation of the INTAS-99-EOS.- 7.3.1 Density.- 7.3.2 Total vapour pressure.- 7.3.3 Heat capacity and thermal coefficients.- 7.4 Non-Congruent Equilibrium and Critical Point.- 7.4.1 Oxygen potential of liquid UO2.- 7.4.2 Enthalpy on the vapour-liquid boundary.- 7.4.3 Equilibrium composition and non-ideality effects.- 7.4.4 Azeotropic compositions.- 7.4.5 Critical point in FCE approximation.- 7.4.6 Critical point under non-congruent evaporation.- 7.5 Concluding Remarks.- A Appendix.- A.1.2 Volume Changes on Melting.- A.1.3 Thermal Expansion.- A.1.4 Elastic Properties and Adiabatic Compressibility.- A.1.6 Enthalpy and Entropy of Fusion.- A.1.8 The Congruently Vaporising Compositions of Urania.- A.2 Individual Components. Tables of Thermodynamic Functions.- A.3 Estimated Molecular and Ionic Interaction Constants.- A.3.1 Polarisability of Atomic O and U.- A.3.3 Dispersion Constants.- A.3.6 Conclusions.- A.4 Thermodynamic Tables.- References.
Les informations fournies dans la section « Synopsis » peuvent faire référence à une autre édition de ce titre.
