Structure and Thermophysical Properties of Molten Calcium-Containing Multi-Component Chlorides by Using Specific BMH Potential Parameters

Chloride molten salts have become a potential heat storage material for the design of new generation concentrating solar power (CSP) (>700 °C) due to its abundant reserves and low cost. The difficulty measuring high-temperature thermal properties chlorides can be effectively solved by using molecular dynamics simulation. However, it is challenging get thermophysical multi-component containing CaCl2 lack Born–Mayer–Huggins (BMH) parameters CaCl2. Through comparative analysis structure CaCl2, including density conductivity, set named SP2 determined in this study. density, specific capacity, conductivity nine eutectic are simulated, NaCl-CaCl2, KCl-CaCl2, NaCl-CaCl2-MgCl2, NaCl-CaCl2-KCl, simulation results found good agreement with experimental results. It also that able predict multicomponent calcium.