Bridging scales in disordered porous media by mapping molecular dynamics onto intermittent Brownian motion.
Journal
Nature communications
ISSN: 2041-1723
Titre abrégé: Nat Commun
Pays: England
ID NLM: 101528555
Informations de publication
Date de publication:
15 Feb 2021
15 Feb 2021
Historique:
received:
23
10
2020
accepted:
15
01
2021
entrez:
16
2
2021
pubmed:
17
2
2021
medline:
17
2
2021
Statut:
epublish
Résumé
Owing to their complex morphology and surface, disordered nanoporous media possess a rich diffusion landscape leading to specific transport phenomena. The unique diffusion mechanisms in such solids stem from restricted pore relocation and ill-defined surface boundaries. While diffusion fundamentals in simple geometries are well-established, fluids in complex materials challenge existing frameworks. Here, we invoke the intermittent surface/pore diffusion formalism to map molecular dynamics onto random walk in disordered media. Our hierarchical strategy allows bridging microscopic/mesoscopic dynamics with parameters obtained from simple laws. The residence and relocation times - t
Identifiants
pubmed: 33589629
doi: 10.1038/s41467-021-21252-x
pii: 10.1038/s41467-021-21252-x
pmc: PMC7884405
doi:
Types de publication
Journal Article
Langues
eng
Sous-ensembles de citation
IM
Pagination
1043Subventions
Organisme : Agence Nationale de la Recherche (French National Research Agency)
ID : 17-CE08-0003
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