Investigation of the thermal conductivity of molten LiF-NaF-KF with experiments, theory, and equilibrium molecular dynamics

Ryan C. Gallagher, Anthony Birri, Nick G. Russell, Anh Thu Phan, Aïmen E. Gheribi

Research output: Contribution to journalArticlepeer-review

22 Scopus citations

Abstract

Molten salts are being proposed for numerous advanced energy applications, including advanced nuclear reactors, concentrating solar power plants, thermal energy storage, and fusion reactors. Accurate knowledge of the thermophysical properties of molten salts directly impact the performance of these energy systems and are essential for design and safety analyses. Thermal conductivity data for fluoride molten salts and mixtures are especially lacking. In this work, experimental measurements of thermal conductivity using the steady-state variable gap technique were performed on eutectic LiF-NaF-KF from 834 to 1195 K. The experiment accounts for radiative, convective, and conductive heat losses. In addition, theoretical and molecular dynamics models are used, from 750 K up to 1300 K, to estimate the thermal conductivity for comparison with the experimental results. The results of experiments show a weak negative deviation of thermal conductivity with temperature, unlike previous experimental results in the literature. The measured thermal conductivity magnitudes agree with the theoretical and molecular dynamics predictions, aside from the data above 1100 K, where heat losses and radiative errors are the most significant, having a 16% maximum deviation from theory. These experimental results provide new thermal conductivity data for the LiF-NaF-KF system and further validation of the predictive models. The theoretical model was used to map the composition and temperature dependent thermal conductivity of LiF-NaF-KF and the mapping's deviation from a linear additivity estimation of thermal conductivity. This mapping showed the highest deviations from linearity for KF-LiF rich mixtures and increasing deviation with temperature. Notably, the deviation from linearity near the LiF-NaF-KF eutectic composition was around 25%.

Original languageEnglish
Article number119151
JournalJournal of Molecular Liquids
Volume361
DOIs
StatePublished - Sep 1 2022

Funding

The author acknowledges the assistance at ORNL of Shay Chapel for mechanical design and fabrication support, Dino Sulejmanovic for chemical impurity analysis of the sample, N. Dianne Ezell for program management and oversight, and Lei R. Cao (The Ohio State University) for advisory support to the primary, corresponding author. The research was funded by The U.S. Department of Energy, Office of Nuclear Energy, Molten Salt Reactor Campaign . The research performed by A-T P. and A.E.G is supported by funds from the Natural Sciences and Engineering Research Council of Canada (NSERC) [funding reference number: RGPIN-2021-03279]. The computations were made on the supercomputer Beluga, managed by Calcul-Québec and Compute Canada. This manuscript has been authored by UT-Battelle, LLC, under contract DE-AC05-00OR22725 with the US Department of Energy (DOE). The US government retains and the publisher, by accepting the article for publication, acknowledges that the US government retains a nonexclusive, paid-up, irrevocable, worldwide license to publish or reproduce the published form of this manuscript, or allow others to do so, for US government purposes. DOE will provide public access to these results of federally sponsored research in accordance with the DOE Public Access Plan ( https://energy.gov/downloads/doe-public-access-plan ). The author acknowledges the assistance at ORNL of Shay Chapel for mechanical design and fabrication support, Dino Sulejmanovic for chemical impurity analysis of the sample, N. Dianne Ezell for program management and oversight, and Lei R. Cao (The Ohio State University) for advisory support to the primary, corresponding author. The research was funded by The U.S. Department of Energy, Office of Nuclear Energy, Molten Salt Reactor Campaign. The research performed by A-T P. and A.E.G is supported by funds from the Natural Sciences and Engineering Research Council of Canada (NSERC) [funding reference number: RGPIN-2021-03279]. The computations were made on the supercomputer Beluga, managed by Calcul-Québec and Compute Canada.

Keywords

  • FLiNaK
  • Molecular dynamics simulations
  • Molten salts
  • Radiative thermal transport
  • Thermal conductivity
  • Variable gap technique

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