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Meeting MS&T22: Materials Science & Technology
Symposium Thermodynamics of Materials in Extreme Environments
Presentation Title Enthalpy of Mixing of LaCl3 − LiCl:KCl Pseudo Binary Molten Salt System
Author(s) Vitaliy G. Goncharov, Jeffrey Eakin, Jiahong Li, Qiang Zhang, Cornelius Ivory, James Boncella, Jason Lonergan, Hongwu Xu, Xiaofeng Guo
On-Site Speaker (Planned) Vitaliy G. Goncharov
Abstract Scope LiCl:KCl molten salt eutectic (58 mol. % LiCl − 42 mol. % LiCl) has emerged as an effective medium for pyrochemical processing of spent metallic nuclear fuels. However, the thermodynamic effects of fission by-products (e.g., trivalent La) and tetravalent U within the molten LiCl-KCl eutectic systems remain unclear. In this work we report experimentally measured molar enthalpies of mixing (ΔHmix) for the LaCl3 − LiCl:KCl and UCl4 − LiCl:KCl pseudobinary systems. The mixing energetics for both systems demonstrate irregular mixing behavior with minimums occurring within the alkali rich regions (< 50 mol. % Ln/An). The results of this work suggest that the magnitudes of mixing interactions stemming from dispersion forces and polarizabilities dominate the energetic landscape, while the formation of associate Ln/An-Clx polyhedra contributes to the observed nonlinearity of the interaction parameter (λ) curve within the LiCl-KCl compositionally dominant region.
Proceedings Inclusion? Undecided


Addressing the Thermodynamic Behavior of Volatile Fission Products in Fluoride Salt-Fueled Molten Salt Reactors: Behavior of Cesium and Iodine
Calorimetric Determination of Melting Point Temperatures, Heat Capacities, and Heats of Fusion of Binary NaCl−UCl3 and MgCl2 − UCl3 Systems
Density, Volatility, and Viscosity of Molten Sodium and Potassium Chloride Salts
Design of High Melting Point Materials via Deep Learning and First Principles
Effect of Desulfurizer on Hot Metal Pretreatment
Enthalpy of Mixing of LaCl3 − LiCl:KCl Pseudo Binary Molten Salt System
High Temperature Boron, Lithium, Iron, and Nickel Aqueous Thermochemistry for Pressurized Water Nuclear Reactors
Investigation of the Thermodynamics of Intermetallic Materials in the Simulation of Synthesis in the Ti-Al system
Measuring Interfacial Thermodynamics from High Temperature In situ TEM Based Bicrystals Tested under Mechanical Load
Melting Point, Enthalpy of Fusion, and Excess Heat Capacity of a FLiNaK Determined by the CALPHAD Method
Persistence of Materials Under Extreme Conditions
Phase Diagrams of Metal-Nitrogen Compounds at High Pressure and High Temperature
Predictive Modeling of Complex Liquids with Uncertainty Quantification by Open-Source Tools: Illustrated with Thermodynamic Properties of Molten Salts
The Thermochemical Stability of Rare Earth Oxides and Silicates for Thermal/Environmental Barrier Coating Applications
There is More to Heat Capacity Measurements than Calculating Entropy
Thermo-mechanical Property Prediction of Materials Using a Python Based Interface with Quantum Espresso
Thermodynamic Database Development with a Focus on Corrosion in Potential Nuclear Reactor Molten Salt Systems
Thermodynamic Modelling and Experimental Investigation of LiCl-NaCl-UCl3 and KCl-NaCl-UCl3 Systems
Thermophysical Properties of Key Binary Salt Systems using High-Sensitivity Twin Calvet Drop Calorimetry for Next Generation Molten Salt Reactors

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