TY - JOUR
T1 - Thermal Property Modeling and Assessment of the Physical Properties of FLiNaK
AU - Schorne-Pinto, Juliano
AU - Aziziha, Mina
AU - Tisdale, Hunter B.
AU - Mofrad, Amir M.
AU - Birri, Anthony
AU - Christian, Matthew S.
AU - Ard, Johnathon C.
AU - Booth, Ronald E.
AU - Yingling, Jacob A.
AU - Soldan Palma, Jorge Paz
AU - Dixon, Clara
AU - Loye, Hans Conrad zur
AU - Besmann, Theodore M.
N1 - Publisher Copyright:
© 2024 American Chemical Society.
PY - 2024/5/13
Y1 - 2024/5/13
N2 - The thermodynamic properties of the LiF-NaF-KF system and its subsystems were re-evaluated using the CALPHAD method, focusing on the deviations from ideality in the heat capacity [Cp(T)] of mixtures, temperature-dependence of mixing enthalpies (ΔmixH), vapor pressures of mixtures, and enthalpies of fusion (ΔHfus) using reported values and measurements. The results of this work confirmed a pseudoternary eutectic at 732.9 K and 46.5LiF-11.5NaF-42KF mol % (FLiNaK) with determined Cp(T) = 69.822 + 0.000679T + 2,137,152T-2 J mol-1 K-1 (732.9 < T < 1200 K) and ΔHfus = 18,051 J mol-1 in good agreement to the experimental values. The resulting accurate thermodynamic representation can be used to find relevant excess thermochemical properties in the whole pseudoternary space and provide insights into their composition and temperature dependence. A detailed evaluation of select thermophysical properties was also conducted to determine recommended density, thermal diffusivity, thermal conductivity, vapor pressures, and boiling point with calculated uncertainties over the temperature range of interest for FLiNaK-salt energy applications.
AB - The thermodynamic properties of the LiF-NaF-KF system and its subsystems were re-evaluated using the CALPHAD method, focusing on the deviations from ideality in the heat capacity [Cp(T)] of mixtures, temperature-dependence of mixing enthalpies (ΔmixH), vapor pressures of mixtures, and enthalpies of fusion (ΔHfus) using reported values and measurements. The results of this work confirmed a pseudoternary eutectic at 732.9 K and 46.5LiF-11.5NaF-42KF mol % (FLiNaK) with determined Cp(T) = 69.822 + 0.000679T + 2,137,152T-2 J mol-1 K-1 (732.9 < T < 1200 K) and ΔHfus = 18,051 J mol-1 in good agreement to the experimental values. The resulting accurate thermodynamic representation can be used to find relevant excess thermochemical properties in the whole pseudoternary space and provide insights into their composition and temperature dependence. A detailed evaluation of select thermophysical properties was also conducted to determine recommended density, thermal diffusivity, thermal conductivity, vapor pressures, and boiling point with calculated uncertainties over the temperature range of interest for FLiNaK-salt energy applications.
KW - boiling point
KW - enthalpy of fusion
KW - FLiNaK
KW - heat capacity
KW - molten salts
KW - phase diagrams
KW - thermal conductivity
KW - vapor pressure
UR - http://www.scopus.com/inward/record.url?scp=85191966980&partnerID=8YFLogxK
U2 - 10.1021/acsaem.4c00321
DO - 10.1021/acsaem.4c00321
M3 - Article
AN - SCOPUS:85191966980
SN - 2574-0962
VL - 7
SP - 4016
EP - 4029
JO - ACS Applied Energy Materials
JF - ACS Applied Energy Materials
IS - 9
ER -