Effect of external force on the dispersion of particles and permeability of substances via carbon nanotubes in reverse electrodialysis using molecular dynamics simulation

Abstract

Background: Using novel technologies and solutions is crucial for producing clean water. There are different ways to remove dissolved salts from water. Methods: This study aimed to analyze the effect of an external force (EF) on the morphology of channels, the dispersion of particles, and the permeability of substances via carbon nanotubes in reverse electrodialysis. It was done using a computer simulation that studied the movement of molecules. This research aimed to study the effect of EF on the dispersion of particles and permeability of substances via carbon nanotubes using a reverse electrodialysis approach. The results show that increasing the EF from 0.0001 to 0.0005 eV/Å increased the electric current and fluid flow intensity from 5.31 e/ns and 211.31 atom/ns to 5.62 e/ns and 263.01 atom/ns. Moreover, the density decreased from 4.83 to 4.66 atom/nm3. Furthermore, the number of broken hydrogen bonds increased from 116 to 166. Significant findings: By understanding the effect of EF on particle movement and material passage through carbon nanotubes, researchers can optimize the design of reverse electrodialysis systems to enhance their performance. This can lead to more effective and cost-efficient water treatment solutions, crucial for producing clean water. © 2024 The Author(s)