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@ARTICLE{Das:858586,
author = {Das, Shibananda and Riest, Jonas and Winkler, Roland G. and
Gompper, Gerhard and Dhont, Jan K. G. and Nägele, Gerhard},
title = {{C}lustering and dynamics of particles in dispersions with
competing interactions: theory and simulation},
journal = {Soft matter},
volume = {14},
number = {1},
issn = {1744-6848},
address = {London},
publisher = {Royal Soc. of Chemistry},
reportid = {FZJ-2018-07456},
pages = {92 - 103},
year = {2018},
abstract = {Dispersions of particles with short-range attractive and
long-range repulsive interactions exhibit rich equilibrium
microstructures and a complex phase behavior. We present
theoretical and simulation results for structural and, in
particular, short-time diffusion properties of a colloidal
model system with such interactions, both in the
dispersed-fluid and equilibrium-cluster phase regions. The
particle interactions are described by a generalized
Lennard-Jones-Yukawa pair potential. For the
theoretical-analytical description, we apply the hybrid
Beenakker–Mazur pairwise additivity (BM-PA) scheme. The
static structure factor input to this scheme is calculated
self-consistently using the Zerah-Hansen integral equation
theory approach. In the simulations, a hybrid simulation
method is adopted, combing molecular dynamics simulations of
colloids with the multiparticle collision dynamics approach
for the fluid, which fully captures hydrodynamic
interactions. The comparison of our theoretical and
simulation results confirms the high accuracy of the BM-PA
scheme for dispersed-fluid phase systems. For particle
attraction strengths exceeding a critical value, our
simulations yield an equilibrium cluster phase. Calculations
of the mean lifetime of the appearing clusters and the
comparison with the analytical prediction of the
dissociation time of an isolated particle pair reveal
quantitative differences pointing to the importance of
many-particle hydrodynamic interactions for the cluster
dynamics. The cluster lifetime in the equilibrium-cluster
phase increases far stronger with increasing attraction
strength than that in the dispersed-fluid phase. Moreover,
significant changes in the cluster shapes are observed in
the course of time. Hence, an equilibrium-cluster dispersion
cannot be treated dynamically as a system of permanent rigid
bodies.},
cin = {IAS-2 / ICS-2 / ICS-3},
ddc = {530},
cid = {I:(DE-Juel1)IAS-2-20090406 / I:(DE-Juel1)ICS-2-20110106 /
I:(DE-Juel1)ICS-3-20110106},
pnm = {553 - Physical Basis of Diseases (POF3-553)},
pid = {G:(DE-HGF)POF3-553},
typ = {PUB:(DE-HGF)16},
pubmed = {pmid:29199754},
UT = {WOS:000418377300009},
doi = {10.1039/C7SM02019H},
url = {https://juser.fz-juelich.de/record/858586},
}