Investigating the Effect of Copper Oxide Nanoparticles Radius on Thermal Behavior of Silica Aerogel/Paraffin Nanostructure Using Molecular Dynamics Simulation

Abstract

Individuals utilize various renewable energy sources due to the augmenting fuel costs and increased greenhouse gas emissions. Currently, scientists are confronted with a significant challenge that must be resolved. They must devise more efficient methods for storing energy that can be rapidly converted to other forms. It is imperative to select materials that can transition between various phases, such as solid to liquid or vapor while preserving thermal energy (TE). This pertains to its ability to conserve energy and reduce the harmful greenhouse gases emitted into the atmosphere. Silica aerogels (SAs) are effective at modulating temperature (T) by retaining heat or cold. Many believe that phase change materials (PCMs), capable of storing heat, are viable insulation options. This study aimed to examine the atomic and thermal performance (TP) of SA/paraffin (SAP) nanostructure with different radii of copper oxide nanoparticles (NPs). This examination was performed using molecular dynamics modeling. The effect of NP radii on T, velocity (V), and Density (D), as well as the effects on thermal conductivity (TC), heat flux (HF), charge time (CT), and discharge time (DT), was examined. The results indicate that the modeled samples' T, V, and D diminished to 903.99 K, 0.0080 Å/fs, and 0.0825 atom/Å3, respectively, as the NP radii increase to 10 Å. Also, the HF and TC diminished to 1.57 W/m.K. and 56.09 W/m2, respectively. By augmenting the size of the NPs, the CT and DT in the simulated sample reduce to 6.09 and 8.28 ns, respectively. © 2024 Elsevier Ltd