Study on Prediction Method of Specific Heat Capacity of Nanomaterial Enhanced Molten Salt

In this study, with nanolayer and surface effect taken into consideration, the specific heat capacity prediction method of Li₂CO₃/K₂CO₃ composite molten salt doped with SiO₂ nanomaterial is modified and improved. First, initial density distribution of the molten salt ions is obtained by applying molecular dynamics. The process in which molten salt ions are induced to crystallize induced by SiO₂ and form nanolayer is studied, and the amount of nanolayer is obtained. Then based on the modified Debye theory, the specific heat capacity of SiO₂ nanomaterial and nanolayer is calculated with the effect of high-energy surface atom taken into account. Finally, based on this method, the specific heat capacity of molten salt doped with nanoparticles of different size is predicted and validated with experiment results. The comparison results show that in the cases of small amounts of nanoparticle, the error between the prediction and the experiment values is within -0.4%∼3.5%. Therefore, the prediction results of this method have accuracy to a certain extent.