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Title: Mesoscale simulations of diffusion and sedimentation in shape-anisotropic nanoparticle suspensions
We determine the long-time self-diffusion coefficient and sedimentation coefficient for suspensions of nanoparticles with anisotropic shapes (octahedra, cubes, tetrahedra, and spherocylinders) as a function of nanoparticle concentration using mesoscale simulations. We use a discrete particle model for the nanoparticles, and we account for solvent-mediated hydrodynamic interactions between nanoparticles using the multiparticle collision dynamics method. Our simulations are compared to theoretical predictions and experimental data from existing literature, demonstrating good agreement in the majority of cases. Further, we find that the self-diffusion coefficient of the regular polyhedral shapes can be estimated from that of a sphere whose diameter is the average of their inscribed and circumscribed sphere diameters.  more » « less
Award ID(s):
2223084
PAR ID:
10530561
Author(s) / Creator(s):
; ; ;
Publisher / Repository:
Royal Society of Chemistry
Date Published:
Journal Name:
Soft Matter
Volume:
20
Issue:
19
ISSN:
1744-683X
Page Range / eLocation ID:
3942-3953
Format(s):
Medium: X
Sponsoring Org:
National Science Foundation
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