This title appears in the Scientific Report :
2014
Please use the identifier:
http://hdl.handle.net/2128/8015 in citations.
Please use the identifier: http://dx.doi.org/10.1103/PhysRevE.90.033314 in citations.
Hydrodynamics of discrete-particle models of spherical colloids: A multiparticle collision dynamics simulation study
Hydrodynamics of discrete-particle models of spherical colloids: A multiparticle collision dynamics simulation study
We investigate the hydrodynamic properties of a spherical colloid model, which is composed of a shell of point particles by hybrid mesoscale simulations, which combine molecular dynamics simulations for the sphere with the multiparticle collision dynamics approach for the fluid. Results are presente...
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Personal Name(s): | Poblete, Simón (Corresponding Author) |
---|---|
Wysocki, Adam / Gompper, Gerhard / Winkler, Roland G. | |
Contributing Institute: |
Theorie der Weichen Materie und Biophysik; IAS-2 Theorie der Weichen Materie und Biophysik; ICS-2 |
Published in: | Physical Review E Physical review / E, 90 90 (2014 2014) 3 3, S. 033314 033314 |
Imprint: |
College Park, Md.
APS
2014
2014-09-29 2014-09-01 |
DOI: |
10.1103/PhysRevE.90.033314 |
Document Type: |
Journal Article |
Research Program: |
Soft Matter Composites |
Link: |
OpenAccess |
Publikationsportal JuSER |
Please use the identifier: http://dx.doi.org/10.1103/PhysRevE.90.033314 in citations.
We investigate the hydrodynamic properties of a spherical colloid model, which is composed of a shell of point particles by hybrid mesoscale simulations, which combine molecular dynamics simulations for the sphere with the multiparticle collision dynamics approach for the fluid. Results are presented for the center-of-mass and angular velocity correlation functions. The simulation results are compared with theoretical results for a rigid colloid obtained as a solution of the Stokes equation with no-slip boundary conditions. Similarly, analytical results of a point-particle model are presented, which account for the finite size of the simulated system. The simulation results agree well with both approaches on appropriative time scales; specifically, the long-time correlations are quantitatively reproduced. Moreover, a procedure is proposed to obtain the infinite-system-size diffusion coefficient based on a combination of simulation results and analytical predictions. In addition, we present the velocity field in the vicinity of the colloid and demonstrate its close agreement with the theoretical prediction. Our studies show that a point-particle model of a sphere is very well suited to describe the hydrodynamic properties of spherical colloids, with a significantly reduced numerical effort. |