A dissipative particle dynamics (DPD) model is developed and demonstrated for studying dynamics in colloidal rod suspensions. The solvent is modeled as conventional DPD particles, while individual rods are represented by a rigid linear chain consisting of overlapping solid spheres, which interact with solvent particles through a hard repulsive potential. The boundary condition on the rod surface is controlled using a surface friction between the solid spheres and the solvent particles. In this work, this model is employed to study the diffusion of a single colloid in the DPD solvent and compared with theoretical predictions. Both the translational and rotational diffusion coefficients obtained at a proper surface friction show good agreement with calculations based on the rod size defined by the hard repulsive potential. In addition, the system-size dependence of the diffusion coefficients shows that the Navier–Stokes hydrodynamic interactions are correctly included in this DPD model. Comparing our results with experimental measurements of the diffusion coefficients of gold nanorods, we discuss the ability of the model to correctly describe dynamics in real nanorod suspensions. Our results provide a clear reference point from which the model could be extended to enable the study of colloid dynamics in more complex situations or for other types of particles.
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Research Article| March 11 2021
A dissipative particle dynamics model for studying dynamic phenomena in colloidal rod suspensions
Yawei Liu ;
Asaph Widmer-Cooper b)
ARC Centre of Excellence in Exciton Science, School of Chemistry, University of Sydney, Sydney, New South Wales 2006,
The University of Sydney Nano Institute, University of Sydney, Sydney, New South Wales 2006,
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Yawei Liu, Asaph Widmer-Cooper; A dissipative particle dynamics model for studying dynamic phenomena in colloidal rod suspensions. J. Chem. Phys. 14 March 2021; 154 (10): 104120. https://doi.org/10.1063/5.0041285
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