Effect of initial pressure on the particle diffusion and permeability of carbon nanotubes in reverse electrodialysis process using molecular dynamics simulation
摘要
It is essential to adopt new technologies to meet the growing demand for freshwater. Among the methods for removing dissolved salts, reverse electrodialysis stands out as a promising membrane-based solution for desalination. This study used molecular dynamics simulations to examine how carbon nanotube permeability, particle diffusion, and channel geometry affect the reverse electrodialysis process. Although the effect of initial pressure on particle movement and material passage through carbon nanotubes in reverse electrodialysis was not thoroughly studied, this research offered new insights into its role in optimizing the process. The results indicate that as pressure increased, the number of hydrogen bond breaks decreased from 116 to 98. Additionally, the final electric current in the sample decreased from 5.31 to 5.05 e ns−1, while the fluid flow intensity decreased from 211.31 to 187.07 atom ns−1. These findings contributed to a deeper understanding of the role of pressure in optimizing the reverse electrodialysis process for desalination.