Naskar, S and Sahoo, AK and Moid, M and Maiti, PK (2022) Ultra-high permeable phenine nanotube membranes for water desalination. In: Physical Chemistry Chemical Physics, 24 . pp. 11196-11205.
|
PDF
phy_che_che_phy_24_11196-11205_2022 .pdf - Published Version Download (5MB) | Preview |
Abstract
Nanopore desalination technology hinges on high water-permeable membranes which, at the same time, block ions efficiently. In this study, we consider a recently synthesized Science363, 151-155 (2019) phenine nanotube (PNT) for water desalination applications. Using both equilibrium and non-equilibrium molecular dynamics simulations, we show that the PNT membrane completely rejects salts, but permeates water at a rate which is an order-of-magnitude higher than that of all the membranes used for water filtration. We provide the microscopic mechanisms of salt rejection and fast water-transport by calculating the free-energy landscapes and electrostatic potential profiles. A collective diffusion model accurately predicts the water permeability obtained from the simulations over a wide range of pressure gradients. We propose a method to calculate the osmotic water permeability from the equilibrium simulation data and find that it is very high for the PNT membrane. These remarkable properties of PNT can be applied in various nanofluidic applications, such as ion-selective channels, ionic transistors, sensing, molecular sieving, and blue energy harvesting. © 2022 The Royal Society of Chemistry
| Item Type: | Journal Article |
|---|---|
| Publication: | Physical Chemistry Chemical Physics |
| Publisher: | Royal Society of Chemistry |
| Additional Information: | The copyright for this article belongs to the Authors. |
| Keywords: | Desalination; Energy harvesting; Free energy; Membranes; Microfiltration; Molecular dynamics; Nanofluidics; Nanopores; Nanotubes, Desalination technologies; High water; Nanotube membranes; Non equilibrium; Permeable membranes; Synthesised; Time-block; Ultra-high; Water desalination; Water permeability, Water filtration |
| Department/Centre: | Division of Physical & Mathematical Sciences > Physics |
| Date Deposited: | 27 May 2022 05:54 |
| Last Modified: | 27 May 2022 05:54 |
| URI: | https://eprints.iisc.ac.in/id/eprint/72743 |
Actions (login required)
 |
View Item |
