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Intrinsic Interface Adsorption Drives Selectivity in Atomically Smooth Nanofluidic Channels

[Image: see text] Specific molecular interactions underlie unexpected and useful phenomena in nanofluidic systems, but these require descriptions that go beyond traditional macroscopic hydrodynamics. In this letter, we demonstrate how equilibrium molecular dynamics simulations and linear response th...

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Autores principales: Helms, Phillip, Poggioli, Anthony R., Limmer, David T.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: American Chemical Society 2023
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10214487/
https://www.ncbi.nlm.nih.gov/pubmed/37159839
http://dx.doi.org/10.1021/acs.nanolett.3c00207
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author Helms, Phillip
Poggioli, Anthony R.
Limmer, David T.
author_facet Helms, Phillip
Poggioli, Anthony R.
Limmer, David T.
author_sort Helms, Phillip
collection PubMed
description [Image: see text] Specific molecular interactions underlie unexpected and useful phenomena in nanofluidic systems, but these require descriptions that go beyond traditional macroscopic hydrodynamics. In this letter, we demonstrate how equilibrium molecular dynamics simulations and linear response theory can be synthesized with hydrodynamics to provide a comprehensive characterization of nanofluidic transport. Specifically, we study the pressure driven flows of ionic solutions in nanochannels comprised of two-dimensional crystalline substrates made from graphite and hexagonal boron nitride. While simple hydrodynamic descriptions do not predict a streaming electrical current or salt selectivity in such simple systems, we observe that both arise due to the intrinsic molecular interactions that act to selectively adsorb ions to the interface in the absence of a net surface charge. Notably, this emergent selectivity indicates that these nanochannels can serve as desalination membranes.
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spelling pubmed-102144872023-05-27 Intrinsic Interface Adsorption Drives Selectivity in Atomically Smooth Nanofluidic Channels Helms, Phillip Poggioli, Anthony R. Limmer, David T. Nano Lett [Image: see text] Specific molecular interactions underlie unexpected and useful phenomena in nanofluidic systems, but these require descriptions that go beyond traditional macroscopic hydrodynamics. In this letter, we demonstrate how equilibrium molecular dynamics simulations and linear response theory can be synthesized with hydrodynamics to provide a comprehensive characterization of nanofluidic transport. Specifically, we study the pressure driven flows of ionic solutions in nanochannels comprised of two-dimensional crystalline substrates made from graphite and hexagonal boron nitride. While simple hydrodynamic descriptions do not predict a streaming electrical current or salt selectivity in such simple systems, we observe that both arise due to the intrinsic molecular interactions that act to selectively adsorb ions to the interface in the absence of a net surface charge. Notably, this emergent selectivity indicates that these nanochannels can serve as desalination membranes. American Chemical Society 2023-05-09 /pmc/articles/PMC10214487/ /pubmed/37159839 http://dx.doi.org/10.1021/acs.nanolett.3c00207 Text en © 2023 The Authors. Published by American Chemical Society https://creativecommons.org/licenses/by/4.0/Permits the broadest form of re-use including for commercial purposes, provided that author attribution and integrity are maintained (https://creativecommons.org/licenses/by/4.0/).
spellingShingle Helms, Phillip
Poggioli, Anthony R.
Limmer, David T.
Intrinsic Interface Adsorption Drives Selectivity in Atomically Smooth Nanofluidic Channels
title Intrinsic Interface Adsorption Drives Selectivity in Atomically Smooth Nanofluidic Channels
title_full Intrinsic Interface Adsorption Drives Selectivity in Atomically Smooth Nanofluidic Channels
title_fullStr Intrinsic Interface Adsorption Drives Selectivity in Atomically Smooth Nanofluidic Channels
title_full_unstemmed Intrinsic Interface Adsorption Drives Selectivity in Atomically Smooth Nanofluidic Channels
title_short Intrinsic Interface Adsorption Drives Selectivity in Atomically Smooth Nanofluidic Channels
title_sort intrinsic interface adsorption drives selectivity in atomically smooth nanofluidic channels
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10214487/
https://www.ncbi.nlm.nih.gov/pubmed/37159839
http://dx.doi.org/10.1021/acs.nanolett.3c00207
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