Solid-liquid interaction on water uptake inside a carbon nanotube using molecular dynamics simulation

Fluid flow in nanoplates and nanochannels has significant applications in enhancing water quality, desalination processes, and various medical fields. This study investigates the uptake of water from a reservoir into a carbon nanotube, employing the molecular dynamics simulation method. The findings of this research encompass an analysis of both the volume and velocity of water uptake into the carbon nanotube, which is influenced by variations in the wall-liquid interaction. The results indicate that the velocity and rate of water penetration into the carbon nanotube are positively correlated with increasing values of the van der waals interactions between water molecules and carbon atoms. Furthermore, to validate the findings, the results were compared with those from existing literature, and the comparative outcomes have been documented.

کلیدواژه ها:

water uptake ، carbon nano-tube ، desalination ، capillary tube