Development of the Molten Salt Thermal Properties Database − Thermochemical (MSTDB−TC), example applications, and LiCl−RbCl and UF3−UF4 system assessments

Complete Description of the LaCl3–NaCl Melt Structure and the Concept of a Spacer Salt That Causes Structural Heterogeneity

“…Although the literature on molten salts is significant and spans over a century, the prospect of using them for cleaner and safer energy harvesting and processing to generate electricity has resulted in a massive spike in interest recently. − The coordination of ions influences reactivity, including for corrosion and the complex cascade of radiation-driven processes occurring in nuclear reactors. − Consequently, a highly desirable objective is to gain complete and consistent understanding of (1) the speciation of ions, (2) the heterogeneity of speciation, and (3) intermediate-range structural correlations that go beyond the arrangement of nearest neighbors in complex multi-ion melts. An added bonus is that speciation information, and its heterogeneity will serve as precious input to simpler thermodynamic models that compute complex salt phase diagrams. − …”

MSR Salt Spill Accident Testing Using Eutectic NaCl-UCl₃

“…The heat of fusion of FLiNaK (LiF-NaF-KF, 46.5-11.5-42 mol %) and eutectic NaCl-UCl3 (66-34 mol %) were calculated using the thermodynamic properties in the Molten Salt Thermal Properties Database-Thermochemical Version 1.2 (MSTDB-TC V1.2) (Ard et al, 2022) by plotting the total enthalpy of the system (one mole of salt) as a function of temperature and identifying the phase transition from liquid to solid and the corresponding enthalpy change (Figure 3). This was done for FLiNaK to demonstrate how optimized thermodynamic data for a molten salt system can be used to estimate the heat of fusion of that system (Figure 3A).…”

Survey of Relevant Data from the MSRP to Guide Development of MSR Chemistry Modeling Benchmarks

“…Bulk properties such as density, viscosity, heat capacity, and thermal conductivity for many relevant systems have already been compiled from literature in MSTDB-TP (See Section 3.4) and development will continue in more systems examined as well as potentially other thermophysical properties such as surface tension. Similarly, the thermochemical data necessary to model redox reactions and phase equilibria of many solutes in various relevant mixtures is being compiled in the MSTDB-TC (Section 3.3) database and development is ongoing [9].…”

“…Although most of this data is for fluoride salt systems, recent interest in chloride salt systems for pyroprocessing and other energy applications has motivated generation of considerable experimental data for various chloride salt systems too. Compound thermodynamic data for pure halides are being compiled in the MSTDB-TC database along with optimizations of relevant pseudobinary and pseudoternary systems for use with the modified quasichemical solution model [9]. Development is ongoing to add and optimize new systems, supporting the many applications of molten salt thermochemical modeling discussed throughout this report.…”