The NaNO3-KNO3 salt has the disadvantage of poor heat transfer capacity and low heat transfer efficiency in single-tank heat storage systems. However, molten salt can be used as phase change materials (PCM) and encapsulated with highly conductive sphere-shaped metals as PCM spheres. Arranging these spheres can appropriately change the situation. In this study, a heat storage system of a multilayer packed bed of PCM spheres consisting of NaNO3-KNO3 salt and type 316 stainless steel sphere shell was designed. This system's heat transfer and heat storage performance were also investigated using CFD simulation. For the same sphere diameter, the heat storage efficiency of hexagonal close packing (HCP) was 1.1 times that of cubic close packing (CCP). With the same porosity, the heat charging efficiency for the case using the 47.5 mm sphere diameter was the highest, at 99.3 %. When the number of layers of spheres was increased from 3 to 7, the heat flux through the sphere wall and the heat storage density of PCM spheres decreased from 40.8 kW and 67.3 × 105 kJ/m3 to 35.7 kW and 59.2 × 105 kJ/m3, respectively. Therefore, the heat charging efficiency of HCP was better than that of CCP. Reducing sphere size could shorten the heat transfer time and improve the heat storage efficiency. These numerical simulation results are consistent with the commonly known fact that the volumetric heat transfer intensity in the porous media is proportional to the reciprocal particle size since the smaller the particle size, the larger the contact area between the packing and the fluid. The conclusion drawn from the present findings provides an idea for designing a PCM heat storage system with high temperature and high efficiency of molten salt. The idea could also be used as a reference for the optimal design of a packed bed reactor.