Thermal Conductivity of 3 LiCl - 2 KCl Molten Salt by Equilibrium Classical Molecular Dynamics

Abstract

Molten salt advanced nuclear reactor design concepts have proposed to utilize molten salts as both a fuel carrier and as a coolant [1]. Greater understanding of the physical properties of molten salts is an active area of research to support adoption of molten salt reactor concepts by industry. We calculate thermal conductivity of 3 LiCl - 2 KCl molten salt by equilibrium classical molecular dynamics. Our results using the Green-Kubo method predict consistently higher thermal conductivity values than results from experiment [2] and theory using non-equilibrium methods [3].

  1. J. Busby, D. Crawford, P. Demkowicz, M. Farmer, J. Gehin, S. Hayes, P. Hildebrandt, R. Horn, P. Hosemann, J. Kacher, S. Kalinin, M. Li, S. Maloy, E. Marquis, K. McClellan, M. Meyer, A. Nelson, C. Parish, D. Petti, P. Ramuhalli, S. Sham, B. Spencer, A. Stack, K. Terrani, G. Was, B. Wirth, R. Wright, Y. Yang, G. Yoder, and Y. Zhang, “Future Nuclear Energy Factual Status Document”, 1616167, US DOE Office of Science, (2017).
  2. B. Merritt, M. Seneca, B. Wright, N. Cahill, N. Petersen, A. Fleming, T. Munro, "Thermal Conductivity Characterization of Fluoride and Chloride Molten Salts Using a Modified Transient Hot-Wire Needle Probe" International Journal of Thermophysics 43, 149 (2022)
  3. J. Wu, J. Wang, H. Ni, G Lu, J. Yu, "The influence of NaCl concentration on the (LiCl-KCl)eutectic system and temperature dependence of the ternary system" Journal of Molecular Liquids 253, 96, 112 (2018)

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Thermal Conductivity of 3 LiCl - 2 KCl Molten Salt by Equilibrium Classical Molecular Dynamics

Molten salt advanced nuclear reactor design concepts have proposed to utilize molten salts as both a fuel carrier and as a coolant [1]. Greater understanding of the physical properties of molten salts is an active area of research to support adoption of molten salt reactor concepts by industry. We calculate thermal conductivity of 3 LiCl - 2 KCl molten salt by equilibrium classical molecular dynamics. Our results using the Green-Kubo method predict consistently higher thermal conductivity values than results from experiment [2] and theory using non-equilibrium methods [3].

  1. J. Busby, D. Crawford, P. Demkowicz, M. Farmer, J. Gehin, S. Hayes, P. Hildebrandt, R. Horn, P. Hosemann, J. Kacher, S. Kalinin, M. Li, S. Maloy, E. Marquis, K. McClellan, M. Meyer, A. Nelson, C. Parish, D. Petti, P. Ramuhalli, S. Sham, B. Spencer, A. Stack, K. Terrani, G. Was, B. Wirth, R. Wright, Y. Yang, G. Yoder, and Y. Zhang, “Future Nuclear Energy Factual Status Document”, 1616167, US DOE Office of Science, (2017).
  2. B. Merritt, M. Seneca, B. Wright, N. Cahill, N. Petersen, A. Fleming, T. Munro, "Thermal Conductivity Characterization of Fluoride and Chloride Molten Salts Using a Modified Transient Hot-Wire Needle Probe" International Journal of Thermophysics 43, 149 (2022)
  3. J. Wu, J. Wang, H. Ni, G Lu, J. Yu, "The influence of NaCl concentration on the (LiCl-KCl)eutectic system and temperature dependence of the ternary system" Journal of Molecular Liquids 253, 96, 112 (2018)