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  4. Microscopic relationship between colloid-colloid interactions and the rheological behaviour of suspensions: a molecular dynamics-stochastic rotation dynamics investigation
 
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Microscopic relationship between colloid-colloid interactions and the rheological behaviour of suspensions: a molecular dynamics-stochastic rotation dynamics investigation
File(s)
microscopic-relationship-colloid.pdf (1.02 MB)
Accepted version
Author(s)
Olarte-Plata, Juan D
Bresme, Fernando
Type
Journal Article
Abstract
We investigate the dependence of the shear viscosity of suspensions of spherical colloids as a function of the volume fraction of the suspension, the colloid–colloid interactions and the shear rate. We couple molecular dynamics to describe the motion of the colloids with stochastic rotation dynamics (MD–SRD) for the fluid environment by means of stochastic collisions, in order to incorporate hydrodynamics effects leading to non-newtonian responses. The shear viscosity is computed using non-equilibrium simulations by imposing explicit velocity gradients. The impact of the colloid–colloid interactions is examined by modelling the inter-colloid pair potential with a repulsive power law, that allows interpolating different degrees of colloidal softness. The general rheological behaviour of our suspensions can be described with a Krieger–Dougherty like equation, which must be corrected to account for the variations in the maximum packing fraction and non-equilibrium effects arising from the flux of momentum imposed to the suspension, which appear when varying the softness of the inter-colloidal interactions. We further show evidence for non-newtonian behaviour at high Péclet numbers, characterised both by shear thinning and shear thickening, and thus demonstrate these effects can be successfully captured using MD–SRD methods.
Date Issued
2018-04-30
Date Acceptance
2018-03-28
Citation
MOLECULAR PHYSICS, 2018, 116 (15-16), pp.2032-2040
URI
http://hdl.handle.net/10044/1/63321
DOI
https://www.dx.doi.org/10.1080/00268976.2018.1464673
ISSN
0026-8976
Publisher
TAYLOR & FRANCIS LTD
Start Page
2032
End Page
2040
Journal / Book Title
MOLECULAR PHYSICS
Volume
116
Issue
15-16
Copyright Statement
© 2018 Informa UK Limited, trading as Taylor & Francis Group. This is an Accepted Manuscript of an article published by Taylor & Francis in Molecular Physics on 30 Apr 2018, available online: https://dx.doi.org/10.1080/00268976.2018.1464673
Sponsor
Commission of the European Communities
Identifier
http://gateway.webofknowledge.com/gateway/Gateway.cgi?GWVersion=2&SrcApp=PARTNER_APP&SrcAuth=LinksAMR&KeyUT=WOS:000437722400013&DestLinkType=FullRecord&DestApp=ALL_WOS&UsrCustomerID=1ba7043ffcc86c417c072aa74d649202
Grant Number
642976
Subjects
Science & Technology
Physical Sciences
Chemistry, Physical
Physics, Atomic, Molecular & Chemical
Chemistry
Physics
Shear viscosity
non-equilibrium molecular dynamics
stochastic rotation dynamics
shear thinning
shear thickening
SHEAR VISCOSITY
HARD-SPHERE
SOFT-SPHERE
SIMULATION
TRANSITION
FLUIDS
PASTE
MODEL
Publication Status
Published
Coverage Spatial
Edinburgh, SCOTLAND
Date Publish Online
2018-04-30
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