The Impact of Channel Edge Type on the Particle Diffusion and Permeability of Carbon Nanotubes as a Membrane in Reverse Electrodialysis Process Using Molecular Dynamics Simulation

Abstract

Thermal energy storage with phase change materials offers effective solutions for energy management by absorbing and releasing thermal energy during phase transitions. Integrating nanoparticles, like gold, enhances thermal conductivity, modifies phase change characteristics, and boosts energy storage capacity. These advancements are valuable in renewable energy, precise thermal management, and high-efficiency energy storage, fostering innovation and sustainability in thermal science. This study investigates the effects of adding gold nanoparticles to paraffin-based phase change material, analyzing thermal property changes through molecular dynamics simulations to assess improvements in heat storage and energy efficiency. The results show that the carbon nanotube structure with the armchair edge was used to achieve the maximum electric current in the sample. Due to the strong interactions among carbon atoms in the armchair-edged carbon nanotube structure, the interaction between the fluid and the AC decreased. Also, the interaction between the base fluid and the channel wall varied with the edge type of carbon nanotubes. Based on the results, maximum electric current was achieved with a carbon nanotube featuring an armchair edge. © 2025 Elsevier Ltd