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Meeting 2027 TMS Annual Meeting & Exhibition
Symposium Materials and Chemistry for Molten Salt Systems
Presentation Title Preliminary Thermodynamic Modeling of Oxide Solubility in Fluoride Salt Coolant or Fuel for MSRs
Author(s) Juliano Schorne Pinto, Jorge Paz Soldan Palma, Aiswarya Padinhare Manissery, Ronald E. Booth, Theodore Besmann
On-Site Speaker (Planned) Juliano Schorne Pinto
Abstract Scope Molten salt reactors (MSRs) are promising candidates for scalable energy generation to meet growing global demand. As MSR development advances toward near-term deployment, predictive models of oxygen solubility and oxide precipitation in fuel/coolant fluoride salts are needed to define impurity tolerance limits for salt qualification and operation. Atmospheric ingress, whether under off-normal conditions or inherent to fresh salt batches, can exceed solubility limits and drive undesirable precipitation of insoluble oxide phases. However, thermodynamic descriptions of oxide solubility as a function of temperature, salt composition, and oxygen potential remain absent for most candidate salt systems. Modeling approaches that couple thermodynamic insights with available solubility data offer a path to predict precipitation limits. Preliminary efforts to describe oxide solubility in FLiBe (66.7LiF–33.3BeF2 mol%) and FLiBe-UF4 fuel salt will be presented within the Molten Salt Database – Thermochemical (MSD-TC) framework, illustrating how dissolved oxygen modifies the global thermochemical behavior of these systems.
Proceedings Inclusion? Planned:
Keywords Nuclear Materials, Computational Materials Science & Engineering, Other

OTHER PAPERS PLANNED FOR THIS SYMPOSIUM

A Connector Chamber Concentration Buffering Approach for Membrane-Free Molten Salt Electrochemical Cell Design
A Long-Term Stable Ni/NiF2 Reference Electrode for High-Temperature Molten Fluoride Salts
A Low Temperature Solution based Chemical process for Immobilization of Fluoride Salt Waste into Metal Halide Perovskite Structures
A Natural Circulation Loop for Molten Salt Instrumentation and Corrosion at INL
A Recipe for Cathodic Deposition-Mediated Corrosion Protection in Molten Salts
Ab initio molecular dynamics study of molten NaF-ZrF4 for predicting mixing behavior and fluorozirconate distributions
Advancing Molten Salt Thermal Property Models via ML-Predicted Structural Features of the Pair Distribution Function
Aluminum Complex Ions and Cathodic Process in AlCl3-NaCl-LiCl Molten Salt System at 120-150 °C
Assessment of Sr Quantification in Molten NaCl–KCl Containing Multiple Fission-Product Elements Using Laser-Induced Breakdown Spectroscopy
Atomistic Insight into Chromium Speciation, Transport, and Oxide Interactions in Molten Eutectic NaCl-MgCl2 Salt
Atomistic Understanding of Fluoroacidity-Dependent Cr Corrosion in Molten Fluorides from ab initio Molecular Dynamics and Metadynamics
Beyond Kirkendall Voids: Grain Boundary Assisted Bulk Dealloying in Molten Fluoride Salt
Challenges and Opportunities in Molten Salt Electrochemistry: Electrode Materials, Salt Chemistry, and Actinide Measurements
Computational Investigations of Evolution at Metal-Molten Salt Interfaces
Corrosion compatibility of candidate structural alloys in static molten FLiBe relevant for fusion reactors
Corrosion Study of Zirconium Metal as a Redox Buffer Agent in Molten Fluoride Salts Using in situ and Theoretical Raman Spectra
Coupled Effects of Potential, Microstructure, Temperature, Composition, and Irradiation on Molten Fluoride Salt Corrosion of Ni-Cr Alloys
Crystallographic Effects on Grain-Boundary-Mediated Corrosion in Ni–Cr Alloys Exposed to Oxidizing FLiNaK
Dealloying-driven surface pattern formation during molten salt corrosion
Decoding the Pair Distribution Function of Molten Uranium Chloride from X Ray Absorption Spectra by Machine Learning
Development of Tools and Techniques for Modern Molten FLiBe Thermal Convection Loops
Effect of Aluminum Content on Passive Film Characteristics and Corrosion Behavior of Ti–xAl Alloys
Effect of Temperature on Molten Chloride Corrosion of High-Entropy Alloys: A Machine Learning Analysis of High-Throughput Experimental Data
Electrochemical Characterization of Uranium in Molten MgCl2-NaCl Using a Novel Magnesium Reference Electrode
Electrochemical Investigation of Sulphide Ion in Molten Nacl-Mgcl2 for Msrs
Electrochemical Investigation of Temperature-Dependent Boron Volatilization in Molten Chloride Salt
Electrochemical Investigations of Molten Chloride Corrosion at the Material–Salt Interface
Electrochemical Measurements of Dissolved Impurities in Molten Salts using FT-ACV
Electrochemical monitoring of molten salt chemistry
Electrochemical reduction of iron oxides in molten LiCl–Li2O at 650 °C
Electrochemical Stability of SnO2 Oxygen-Evolving Anode in Molten LiCl-Li2O at 650 °C
Engineering Corrosion Resistance of Constituent-Phases in Ni-W Alloys against Molten Chlorides
Evaluation of the Mn/MnCl2 Redox Buffer for Molten Chloride Salts
First-Principles Modeling of Uranium Chloride Melts
Fission Product-Induced Structural Perturbations in FLiBe and UCl₃-Based Fuel Salts
High-Throughput CALPHAD Screening of Multicomponent Molten Salt Phase Change Materials Using ChemApp for Python
High-vacuum corrosion testing of stainless-steel coupons in molten FLiNaK at elevated temperatures
HybriMet NiWC3b for demonstrated corrosion, wear, and erosion resistance in 750C salt.
ICP-MS Round Robin Study for Quantifying Impurities in FLiBe Salt
Impact of exposure time and temperature on stress corrosion cracking behavior of Hastelloy-N in molten fluoride salt
Improved measurements of the thermal conductivity of molten halide salts
Improved Predictions of Thermal Transport in Molten Salts based on Machine Learning Interatomic Potentials (MLIPs)
In-Situ XAS/XRF and Atomistic Modeling of Lanthanide Redox Buffering and Ni-20Cr Corrosion in Molten Chloride Salts: Coupling to Halobasicity
Influence of oxygen species on corrosion of 316 stainless steel in molten NaCl–MgCl2
Influence of Salt Chemistry on Tritium Transport and Release in a Molten Salt Breeder System
Integrated Assessment of Impurity Driven Corrosion and Stress-Corrosion Cracking in Molten Salt Reactor Environments
Investigating the Effects of Cationic Impurities in FLiNaK Salts on the Corrosion of Iron-Based Alloys for Molten Salt Reactors
Investigation Into the Performance of Ruthenium Alloy as a Potential Anode for Oxide reduction in Molten LiCl-Li2O
Investigation of Alloy Corrosion in Molten Salts Through Phase-Field Modeling of Electroanalytical Experiments
Invited: Computational Investigation of Fluoride-Based Molten Salts for Advanced Energy Applications
Isothermal Flow-Assisted Corrosion of LiCl-KCl Molten Salt
Lewis Acid–Base Behavior of Molten Salts, Bulk and Interfacial Melt Structure, and the Behavior of Radiation‑Produced Species
LIBS-Based Depth Profiling for Rapid Evaluation of Chromiun Depletion
Lithium’s Role as a Network Disruptor in LiF-BeF₂ Mixtures Determined from Scattering Measurements and Molecular Dynamics
Measuring What Matters: Quantifying Impurities, Redox effects, and Corrosion Response in Molten Salts
Mechanistic insights into direct electrochemical extraction of manganese from carbonate-derived MnO via vacancy assisted deoxygenation in molten salts
Microstructural Degradation study of Ni20Cr and Hastelloy N in CsI-Bearing LiCl-KCl Molten Salt using electron microscopy
Modelling the Use of Li as a Reducing Agent to Mitigate Alloy Corrosion in Molten FLiNaK Environments
Modular Design of a High-Temperature Flexural Fatigue Fixture for Characterizing Stress Assisted Corrosion Behavior of Stainless Steel 316H in a Molten NaCl-MgCL2 Salt
Molten Salt Corrosion of 316H Stainless Steel in Nuclear Reactor Environments
Molten salt corrosion of nickel super alloys and high-carbon stainless steel alloys
Molten Salt Electrodeposition with Galvanic Replacement (MSEGR) for Intra-Rare Earth Selective Enrichment in Molten Chloride Salts
Monitoring, Synthesis, and Material Performance Assessments for High-Concentration Actinide MSR Fuel Salts
MOOSE Based Thermodynamic Assessment of Salt Purification in Molten Salt Reactor Fuel Salts
Morphologies of dealloying corrosion attack at grain boundaries: 1D wormholes, 2D planes, and 3D structures
Multimodal In Situ Synchrotron Investigation of Interface Evolution Between Zr and Ni–Cr Alloys in Molten LiCl–KCl
Phase-Field Modeling of Cr and Fe Depletion in Ni-Cr-Fe Alloys Exposed to Molten NaCl-KCl
Physics Properties of AlCl3-NaCl-LiCl Molten Salts System
Predicting Thermophysical and Structural Properties of NaCl–UCl3–PuCl3 Molten Salts with Machine-Learning Interatomic Potentials (MLIPs)
Predictive Modeling and Experimental Validation of Irradiation-Accelerated Molten-Salt Corrosion in Conventional and Additively Manufactured 316 Stainless Steels
Preliminary Thermodynamic Modeling of Oxide Solubility in Fluoride Salt Coolant or Fuel for MSRs
Protective Coatings and the Impact of Imperfections for Molten Halide Salt Applications
Purification of Chloride Salts Using SiO2 to Remove Oxide and Hydroxide Impurities
Redox-Driven Transition from Selective Dissolution to Penetrating Corrosion in Molten FLiBe
Role of Bubbles as Permeation Barriers: Interfacial Hydrogen Transport in Molten Salt Breeding Blankets
Salt-Metal Interfacial Chemistry Governing Early-Stage Corrosion in Fe-Cr Alloys
Structure-Informed Electrochemistry: Building Reliable Measurements for Predictive Molten Salt Chemistry
Temperature-Dependent Transition from Intergranular Attack to Bicontinuous Structure Formation in Molten Salts and Liquid Metal Dealloying
The chemistry and thermophysical properties of chloride molten salts in the presence of Ti and Zr
The Effect of Temperature on the Preparation of Nb-Si Alloys by Molten Salt Electrolysis and Thermodynamic Analysis
The molten salt reactor program in support of safe development and deployment of MSRs
Thermochemical Aspects of Molten Salt Corrosion in MSRs and Limiting Behavior
Thermodynamic Assessment of Phase Evolution, Slag–Metal Separation, and Alumina Interaction during Smelting Separation of Molten-Salt-Electrolysis Products
Thermodynamic investigation of the CrCl2-CrCl3-UCl3 and CrF2-CrF3-UF4 systems to elucidate corrosion mechanisms in molten salt reactors
Thermodynamic modeling of samarium fission products in FLiNaK (LiF–NaF–KF)
Thermodynamic Modeling of the LiF-NaF-ZrF4 System for Decladding Spent Nuclear Fuels
Thermodynamic Properties of Oxide Ions in LiCl-based Molten Salts via Emf Measurements
Thermodynamics of Melting-induced Hydration in Molten Salts
Tritium Testing in Flibe to Support Kairos Power Fluoride-Salt-Cooled High-Temperature Reactor Development
Undercooling Minimization in Differential Thermal Analysis of Molten Salts
Understanding of Impurity-Induced Structural and Chemical Modifications in FLiBe Molten Salt
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