Molecular Dynamics Simulation of Water Transport through Carbon Nanotube Membranes under Pressure Difference

摘要

The non-equilibrium molecular dynamics (NEMD) simulations are presented to investigate pressure-driven water liquid passing through carbon nanotube membranes. The carbon nanotube membrane Is modeled as a simplified nanofiltratlon (NF) membrane with smooth surfaces, and uniform straight pores of typical NF pore sizes.