Molecular dynamics study of membrane distillation process through nanopores

Abstract

Nanoscale-pored membranes offer enhanced potential for water distillation due to the rapid water vapor transfer in nanopores. Through molecular dynamics simulations, this study investigates the water distillation process within a single nanopore, focusing on the effects of nanopore diameter, feed liquid temperature, and the water-nanopore contact angle. Our results reveal that the permeate flux through nanopores can be three orders of magnitude larger than that through microscale pore membranes. Decreasing the diameter of nanopores increases the permeate flux due to the increasing ability of water evaporation at the feed side. Additionally, increasing the wall surface hydrophilicity enhances the permeate flux through nanopores, and when the contact angle is 95°, nanopores still exhibit excellent anti-wetting properties, demonstrating the enormous potential for practical applications. The findings of this study have crucial implications for the future design of nanoporous membranes for membrane distillation.