Bridging scales in disordered porous media by mapping molecular dynamics onto intermittent Brownian motion

Bridging scales in disordered porous media by mapping molecular dynamics onto intermittent Brownian motion

The diffusion of fluids in complex nanoporous geometries represents a challenge for modelling approaches. Here, the authors describe the macroscopic diffusivity of a simple fluid in disordered nanoporous materials by bridging microscopic and mesoscopic dynamics with parameters obtained from simple p...

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Main Authors: Colin Bousige, Pierre Levitz, Benoit Coasne
Format: Article
Language:English
Published: Nature Publishing Group 2021-02-01
Series:Nature Communications
Online Access:https://doi.org/10.1038/s41467-021-21252-x
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spelling doaj-a5d1d98be574411dbe9618deb99f9c8f2021-02-21T12:13:21ZengNature Publishing GroupNature Communications2041-17232021-02-0112111110.1038/s41467-021-21252-xBridging scales in disordered porous media by mapping molecular dynamics onto intermittent Brownian motionColin Bousige0Pierre Levitz1Benoit Coasne2Univ. Lyon, Université Claude Bernard Lyon 1, CNRS UMR 5615, Laboratoire des Multimatériaux et InterfacesSorbonne Université, CNRS UMR 8234, PHENIX LabUniv. Grenoble Alpes, CNRS, LIPhyThe diffusion of fluids in complex nanoporous geometries represents a challenge for modelling approaches. Here, the authors describe the macroscopic diffusivity of a simple fluid in disordered nanoporous materials by bridging microscopic and mesoscopic dynamics with parameters obtained from simple physical laws.https://doi.org/10.1038/s41467-021-21252-x
collection DOAJ
language English
format Article
sources DOAJ
author Colin Bousige
Pierre Levitz
Benoit Coasne
spellingShingle Colin Bousige
Pierre Levitz
Benoit Coasne
Bridging scales in disordered porous media by mapping molecular dynamics onto intermittent Brownian motion
Nature Communications
author_facet Colin Bousige
Pierre Levitz
Benoit Coasne
author_sort Colin Bousige
title Bridging scales in disordered porous media by mapping molecular dynamics onto intermittent Brownian motion
title_short Bridging scales in disordered porous media by mapping molecular dynamics onto intermittent Brownian motion
title_full Bridging scales in disordered porous media by mapping molecular dynamics onto intermittent Brownian motion
title_fullStr Bridging scales in disordered porous media by mapping molecular dynamics onto intermittent Brownian motion
title_full_unstemmed Bridging scales in disordered porous media by mapping molecular dynamics onto intermittent Brownian motion
title_sort bridging scales in disordered porous media by mapping molecular dynamics onto intermittent brownian motion
publisher Nature Publishing Group
series Nature Communications
issn 2041-1723
publishDate 2021-02-01
description The diffusion of fluids in complex nanoporous geometries represents a challenge for modelling approaches. Here, the authors describe the macroscopic diffusivity of a simple fluid in disordered nanoporous materials by bridging microscopic and mesoscopic dynamics with parameters obtained from simple physical laws.
url https://doi.org/10.1038/s41467-021-21252-x
work_keys_str_mv AT colinbousige bridgingscalesindisorderedporousmediabymappingmoleculardynamicsontointermittentbrownianmotion
AT pierrelevitz bridgingscalesindisorderedporousmediabymappingmoleculardynamicsontointermittentbrownianmotion
AT benoitcoasne bridgingscalesindisorderedporousmediabymappingmoleculardynamicsontointermittentbrownianmotion
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