Investigation of thermal performance of the silica-aerogel/ paraffin cubic nanostructure at different copper oxide atomic ratios using molecular dynamics simulation

The increasing pollution from greenhouse gases and surging fuel costs have driven a transition to renewable energy sources, requiring the development of effective energy storage solutions. Researchers are endeavoring to develop an energy storage technique that can be effectively converted into multiple energy types. Extensive research has focused on incorporating various additives to improve phase change materials; however, the synergistic effects of silica aerogels and copper oxide nanoparticles on their thermophysical properties remain largely unexplored. This work examined the recent integration of paraffin-silica aerogels and the differing atomic ratios of copper oxide nanoparticles as composite phase change materials via molecular dynamics simulations to assess their thermal properties under controlled settings. While silica aerogels exhibit exceptional thermal insulation, the incorporation of copper oxide nanoparticles alters critical characteristics, thereby enhancing their energy storage efficiency. The results indicate that the maximum density, velocity, and temperature increased from 1.009 to 1.026 atoms/å 3 , 0.0087 to 0.0091 Å/fs, and 752 to 763 K, respectively, as the nanoparticle atomic ratio increased from 1% to 3%. The thermal conductivity and heat flux also risen from 1.85 W/m·K and 69.88 W/m 2 to 1.95 W/m·K and 73.22 W/m 2 , respectively. The discharging time marginally reduced to 8.21 ns, and the charging time reduced to 7.08 ns. Nevertheless, the thermal performance decreased slightly at 5% concentration, suggesting that the optimal copper oxide nanoparticle loading for improved energy storage was 3%. These results indicate that integrating silica aerogels with copper oxide nanoparticles offers a promising avenue for developing thermal energy storage materials suitable for high-performance heat management technologies and sustainable energy systems.