Cargando…
Geometric percolation of hard-sphere dispersions in shear flow
We combine a heuristic theory of geometric percolation and the Smoluchowski theory of colloid dynamics to predict the impact of shear flow on the percolation threshold of hard spherical colloidal particles, and verify our findings by means of molecular dynamics simulations. It appears that the impac...
Autores principales: | , , |
---|---|
Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
The Royal Society of Chemistry
2022
|
Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9157507/ https://www.ncbi.nlm.nih.gov/pubmed/35593227 http://dx.doi.org/10.1039/d2sm00375a |
_version_ | 1784718652916891648 |
---|---|
author | Pihlajamaa, Ilian de Bruijn, René van der Schoot, Paul |
author_facet | Pihlajamaa, Ilian de Bruijn, René van der Schoot, Paul |
author_sort | Pihlajamaa, Ilian |
collection | PubMed |
description | We combine a heuristic theory of geometric percolation and the Smoluchowski theory of colloid dynamics to predict the impact of shear flow on the percolation threshold of hard spherical colloidal particles, and verify our findings by means of molecular dynamics simulations. It appears that the impact of shear flow is subtle and highly non-trivial, even in the absence of hydrodynamic interactions between the particles. The presence of shear flow can both increase and decrease the percolation threshold, depending on the criterion used for determining whether or not two particles are connected and on the Péclet number. Our approach opens up a route to quantitatively predict the percolation threshold in nanocomposite materials that, as a rule, are produced under non-equilibrium conditions, making comparison with equilibrium percolation theory tenuous. Our theory can be adapted straightforwardly for application in other types of flow field, and particles of different shape or interacting via other than hard-core potentials. |
format | Online Article Text |
id | pubmed-9157507 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2022 |
publisher | The Royal Society of Chemistry |
record_format | MEDLINE/PubMed |
spelling | pubmed-91575072022-06-21 Geometric percolation of hard-sphere dispersions in shear flow Pihlajamaa, Ilian de Bruijn, René van der Schoot, Paul Soft Matter Chemistry We combine a heuristic theory of geometric percolation and the Smoluchowski theory of colloid dynamics to predict the impact of shear flow on the percolation threshold of hard spherical colloidal particles, and verify our findings by means of molecular dynamics simulations. It appears that the impact of shear flow is subtle and highly non-trivial, even in the absence of hydrodynamic interactions between the particles. The presence of shear flow can both increase and decrease the percolation threshold, depending on the criterion used for determining whether or not two particles are connected and on the Péclet number. Our approach opens up a route to quantitatively predict the percolation threshold in nanocomposite materials that, as a rule, are produced under non-equilibrium conditions, making comparison with equilibrium percolation theory tenuous. Our theory can be adapted straightforwardly for application in other types of flow field, and particles of different shape or interacting via other than hard-core potentials. The Royal Society of Chemistry 2022-05-16 /pmc/articles/PMC9157507/ /pubmed/35593227 http://dx.doi.org/10.1039/d2sm00375a Text en This journal is © The Royal Society of Chemistry https://creativecommons.org/licenses/by/3.0/ |
spellingShingle | Chemistry Pihlajamaa, Ilian de Bruijn, René van der Schoot, Paul Geometric percolation of hard-sphere dispersions in shear flow |
title | Geometric percolation of hard-sphere dispersions in shear flow |
title_full | Geometric percolation of hard-sphere dispersions in shear flow |
title_fullStr | Geometric percolation of hard-sphere dispersions in shear flow |
title_full_unstemmed | Geometric percolation of hard-sphere dispersions in shear flow |
title_short | Geometric percolation of hard-sphere dispersions in shear flow |
title_sort | geometric percolation of hard-sphere dispersions in shear flow |
topic | Chemistry |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9157507/ https://www.ncbi.nlm.nih.gov/pubmed/35593227 http://dx.doi.org/10.1039/d2sm00375a |
work_keys_str_mv | AT pihlajamaailian geometricpercolationofhardspheredispersionsinshearflow AT debruijnrene geometricpercolationofhardspheredispersionsinshearflow AT vanderschootpaul geometricpercolationofhardspheredispersionsinshearflow |