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  Ultra-high permeable phenine nanotube membranes for water desalination

Naskar, S., Sahoo, A. K., Moid, M., & Maiti, P. K. (2022). Ultra-high permeable phenine nanotube membranes for water desalination. Physical Chemistry Chemical Physics, 24(18), 11196-11205. doi:10.1039/D1CP04557A.

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Naskar, Supriyo, Author
Sahoo, Anil Kumar1, Author              
Moid, Mohd, Author
Maiti, Prabal K., Author
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1Richard Weinkamer, Biomaterialien, Max Planck Institute of Colloids and Interfaces, Max Planck Society, ou_1863295              

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 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 [Science 363, 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.

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Language(s): eng - English
 Dates: 2022-04-192022
 Publication Status: Published in print
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 Identifiers: DOI: 10.1039/D1CP04557A
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Title: Physical Chemistry Chemical Physics
  Abbreviation : Phys. Chem. Chem. Phys.
Source Genre: Journal
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Publ. Info: Cambridge, England : Royal Society of Chemistry
Pages: - Volume / Issue: 24 (18) Sequence Number: - Start / End Page: 11196 - 11205 Identifier: ISSN: 1463-9076