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Finite Element Modelling of a Cellular Electric Microenvironment
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Moving charged particles in lattice Boltzmann-based electrokinetics.

Michael Kuron1, Georg Rempfer1, Florian Schornbaum2

  • 1Institut für Computerphysik, Universität Stuttgart, 70550 Stuttgart, Germany.

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|August 12, 2017
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This study introduces a new method to simulate moving charged particles in fluids using lattice-based electrokinetics. This advance enables more accurate modeling of complex colloidal systems and nanoscopic dynamics.

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Area of Science:

  • Colloid and Interface Science
  • Computational Physics
  • Physical Chemistry

Background:

  • Electrokinetic phenomena, involving charged particles and fluid flow, are crucial in colloidal suspensions.
  • Existing lattice-based methods, like the Capuani scheme, lack the ability to handle moving boundary conditions.
  • Simulating multiple moving colloids requires incorporating moving boundary conditions into electrokinetic models.

Purpose of the Study:

  • To develop and present a novel particle coupling scheme for lattice-based electrokinetic simulations.
  • To enable the simulation of arbitrarily moving charged particles within colloidal systems.
  • To extend the applicability of lattice-based continuum algorithms to dynamic nanoscopic and colloidal systems.

Main Methods:

  • Adapted a moving boundary method from pure lattice Boltzmann solvers for electrokinetic equations.
  • Ensured mass and charge conservation for solute species.
  • Employed partial-volume smoothing of solute fluxes to mitigate discretization errors.

Main Results:

  • Successfully introduced a particle coupling scheme for lattice-based electrokinetics.
  • Demonstrated the algorithm's effectiveness through simulations of charged sphere electrophoresis.
  • Validated results by comparing single-sphere simulations with electro-osmotic problems.

Conclusions:

  • The developed method efficiently incorporates moving boundary conditions into lattice-based electrokinetic simulations.
  • This technique enhances the simulation of complex colloidal and nanoscopic systems.
  • The scheme's ease of implementation facilitates future research in dynamic soft matter systems.