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Efficient Brownian Dynamics of rigid colloids in linear flow fields based on the grand mobility matrix
Duraivelan Palanisamy1, Wouter K den Otter1
1Multi-Scale Mechanics, Faculty of Engineering Technology and MESA+ Institute for Nanotechnology, University of Twente, P.O. Box 217, 7500 AE Enschede, The Netherlands.
The Journal of Chemical Physics
|October 12, 2018
Summary
This study introduces an efficient method for simulating the movement of complex colloids, crucial for understanding fluid dynamics and material properties in nanotechnology.
Area of Science:
- Colloid Science
- Computational Physics
- Fluid Dynamics
Background:
- Simulating colloidal dynamics is essential for understanding material properties.
- Existing methods can be computationally intensive for complex shapes.
Purpose of the Study:
- To develop an efficient and general method for simulating colloidal dynamics.
- To accurately model coupled translational and rotational motion of arbitrarily shaped colloids.
Main Methods:
- Representing colloid surfaces with primary spherical particles.
- Utilizing Rotne-Prager-Yamakawa hydrodynamic interactions and a body-frame mobility matrix.
- Employing quaternions for efficient rotational Brownian Dynamics simulations.
Main Results:
- The method accurately simulates translational and rotational diffusion in quiescent fluids.
- Simulations of ellipsoids and spherical caps under shear match theoretical predictions.
- Calculated viscosity and Einstein coefficient for dilute suspensions.
Conclusions:
- The developed method offers an efficient approach for simulating complex colloidal systems.
- This technique is valuable for studying fluid dynamics and material properties of suspensions.
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