Investigation of Water Permeation through Carbon Nanotubes as a Model for Peptide Channel: A Molecular Dynamic Simulation Study

We have used molecular dynamic simulation to study water permeation in carbon nanotube channels. We have investigated both the osmotic and diffusion permeations in three kinds of carbon nanotube channels. We have applied a pressure gradient on the systems for applying a chemical potential difference to explore the osmotic permeation.

کلیدواژه ها:

carbon nanotube ، water channel ، molecular dynamic simulation ، permeation