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Diffusion and sedimentation in colloidal suspensions using multiparticle collision dynamics with a discrete particle

Yashraj M Wani1, Penelope Grace Kovakas2, Arash Nikoubashman1

  • 1Institute of Physics, Johannes Gutenberg University Mainz, Staudingerweg 7, 55128 Mainz, Germany.

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|January 16, 2022
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Summary
This summary is machine-generated.

Multiparticle collision dynamics simulations accurately model colloidal suspension dynamics, matching experimental self-diffusion and sedimentation coefficients. This method is versatile, extending to complex particle shapes like cubes.

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Area of Science:

  • Colloid and Interface Science
  • Computational Physics
  • Soft Matter Physics

Background:

  • Understanding hydrodynamic interactions is crucial for predicting colloidal suspension behavior.
  • Accurate simulation methods are needed to bridge scales from particle to macroscopic properties.
  • Existing methods like Brownian dynamics have limitations in capturing complex fluid-particle interactions.

Purpose of the Study:

  • To investigate self-diffusion and sedimentation in colloidal suspensions using a hybrid MD+MPCD method.
  • To validate the MD+MPCD approach by comparing simulation results with experimental data and other simulation techniques.
  • To demonstrate the method's generality by applying it to suspensions of non-spherical particles.

Main Methods:

  • Utilizing multiparticle collision dynamics (MPCD) for solvent and a discrete mesh for colloidal particles (MD+MPCD).
  • Simulating suspensions of nearly hard spheres across volume fractions from 0.01 to 0.40.
  • Comparing MD+MPCD results with experimental data and Brownian dynamics (BD) simulations (BD and BD+RPY).

Main Results:

  • MD+MPCD simulations show partial solvent coupling at short times but comparable long-time self-diffusion coefficients to experiments.
  • Sedimentation coefficients from MD+MPCD agree well with experimental and BD+RPY data.
  • The method successfully determined self-diffusion for nearly hard cubes, demonstrating its applicability to complex shapes.

Conclusions:

  • MD+MPCD provides a reasonable description of hydrodynamic interactions in colloidal suspensions.
  • The discrete-particle MD+MPCD approach is computationally convenient and adaptable to various particle geometries.
  • This simulation technique offers a promising tool for studying complex colloidal systems.