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Meeting MS&T22: Materials Science & Technology
Symposium Thermodynamics of Materials in Extreme Environments
Presentation Title High Temperature Boron, Lithium, Iron, and Nickel Aqueous Thermochemistry for Pressurized Water Nuclear Reactors
Author(s) Jason Rizk, Brian Wirth
On-Site Speaker (Planned) Jason Rizk
Abstract Scope Chalk River Unidentified Deposits (CRUD) occur in the core of pressurized water nuclear reactors (PWRs) and cause several phenomena impacting the reactor’s efficiency, lifetime, and reliability. The primary of these phenomena is Axial Offset Anomaly (AOA) which is caused by nonuniform trapping of boron within the core. To aid in the modeling of these deposits, the high temperature aqueous thermochemistry of boron, lithium, nickel, and iron is described using the Helgeson-Kirkham-Flowers (HKF) formalism, which calculates the thermodynamic properties of individual aqueous species for temperatures up to 350 C. Non-ideality is treated using the Pitzer equations. The stability of compounds thought to constitute CRUD is mapped out for a range of possible conditions. The database contains new correlation parameters based on available experimental data and first-principles calculations. The thermodynamic system considered is vital for the power industry and has broader applications such as lithium production from natural brines containing boron.

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
Enthalpy of Mixing of LaCl3 − LiCl:KCl Pseudo Binary Molten Salt System
G-3: Effect of Desulfurizer on Hot Metal Pretreatment
G-4: Investigation of the Thermodynamics of Intermetallic Materials in the Simulation of Synthesis in the Ti-Al system
High Temperature Boron, Lithium, Iron, and Nickel Aqueous Thermochemistry for Pressurized Water Nuclear Reactors
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
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