Microstructure and thermal properties of ternary chloride eutectic salts for high temperature thermal energy storage

Chloride molten salts are attractive candidate materials used for effective thermal energy transfer and storage in renewable energy system as concentrating solar power, but associated thermal properties at high temperature are still insufficient in research. In this work, eutectic point verification, microstructure and thermal properties of NaCl-KCl-ZnCl2 eutectic salts with four different contents are investigated by molecular dynamics simulation based on Born-Mayer-Huggins potential and experimental measurement. The density, specific heat capacity, viscosity, self-diffusion coefficient and thermal conductivity of four ternary eutectic salts are predicted with experimental validation and their correlations with different temperature and composition are proposed, and the mechanism of desirable thermal performance variation is revealed from the microscopic point of view. As ZnCl2 content increases, the thermal conductivity and specific heat capacity increase significantly, and eutectic salt #4 (18.6 %NaCl: 21.9 %KCl: 59.5 %ZnCl2) has maxima of density, specific heat capacity and thermal conductivity. The above phenomena can be attributed to the increase in potential energy and Columbic energy for more charge of Zn2+, which strengthens the interaction between atoms in the system and intensifies the collision. This work is expected to provide effective guidance on the design and application of molten salts for high temperature thermal energy storage.