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Meeting MS&T22: Materials Science & Technology
Symposium Thermodynamics of Materials in Extreme Environments
Presentation Title Melting Point, Enthalpy of Fusion, and Excess Heat Capacity of a FLiNaK Determined by the CALPHAD Method
Author(s) Juliano Schorne Pinto, Johnathon C. Ard, Mina Aziziha, Kyle Foster, Jacob Yingling, Amir Mofrad, Matthew Christian, Theodore M. Besmann
On-Site Speaker (Planned) Juliano Schorne Pinto
Abstract Scope We have of necessity revisited the thermodynamic models and values for the molten salt coolant FLiNaK (46.5 LiF–11.5 NaF–42 KF mol%) as part of the Molten Salt Thermal Properties Database − Thermochemical (MSTDB−TC) development effort, using additional excess Gibbs energy terms to allow the capture of any excess heat capacity (ΔCp) from mixing of the salt components and obtain an accurate enthalpy of fusion (ΔHfus). This required using the CALPHAD method to reevaluate the heat capacity and heat content, and vapor pressures over, solely LiF, NaF, and KF, as well as for their constituent pseudo-binary systems. Finally, internally consistent values were determined using observed phase equilibria, enthalpies of mixing (ΔmixH), ΔHfus, and ΔCp, producing a thermodynamic model for the pseudo-ternary system that predicts a eutectic composition of 46.7 LiF–11.4 NaF–41.9 KF mol% and melt temperature of 735.2 K, and computed Cp, and ΔHfus in good agreement with measured values.
Proceedings Inclusion? Undecided

OTHER PAPERS PLANNED FOR THIS SYMPOSIUM

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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