Water flow rate quantification through an experimental CNT membrane: A molecular dynamics simulation approach

Abstract

The comprehension of water flow rate within carbon nanostructures holds great importance in both theoretical understanding and engineering design of microscale and nanoscale devices. This study presents a comprehensive numerical model for analyzing the water flow rate in Carbon Nanotube (CNT) membranes. The outcomes of this model have particular relevance in predicting the performance and designing CNT membranes for water desalination, which offer the potential for remarkably rapid transport. By investigating the characteristics of the CNT membrane, various geometric properties that influence the overall flow rate are quantified. Apart from the diameter and length, attention is also given to non-ideal factors associated with the deformation of CNTs from their original structures. Specifically, the impact of eccentricity and bending on the flow rate through CNTs is examined, revealing limited but noteworthy effects. Additionally, a simplified model is developed to characterize the membrane using statistical data pertaining to CNT synthesis. The results of the total water flow rate demonstrate that the existing numerical model closely aligns with the reported experimental values.