Osmotic Water Permeation through a Carbon Nanotube

• DOI: 10.1021/acs.jpclett.9b03821
• Publication Date: 2020-01-21T06:05:49Z
• Authors: Chang Fang; Decai Huang; Jiaye Su
• Keywords: Osmosis; Osmotic pressure; Hagen–Poiseuille equation

Osmosis are essential for not only the application of nanofluidic devices but also understanding working principles biological transmembrane proteins. Despite considerable experimental interests, comprehensive simulation work is still lacking, possibly because periodic boundary condition that inevitably leads to spontaneous exchange two side reservoirs. To eliminate this disadvantage, herein we design a simple model system by introducing dipalmitoylphosphatidylcholine bilayer into common carbon-nanotube (CNT)-based setup, which allows long-time osmotic simulations. Interestingly, water flux exhibits an excellent linear relation with concentration gradient and Arrhenius temperature, highly coincides recent observations. Furthermore, can be quantitatively comparable CNTs protein channels theoretical estimation from Hagen–Poiseuille equation. The designed could open new window future studies on osmosis.