Lattice Boltzmann scheme for electrolytes by an extended Maxwell-Stefan approach

Jens Zudrop, Sabine Roller, and Pietro Asinari
Phys. Rev. E 89, 053310 – Published 19 May 2014

Abstract

This paper presents an extended multicomponent lattice Boltzmann model for the simulation of electrolytes. It is derived by means of a finite discrete velocity model and its discretization. The model recovers momentum and mass transport according to the incompressible Navier-Stokes equation and Maxwell-Stefan formulation, respectively. It includes external driving forces (e.g., electric field) on diffusive and viscous scales, concentration-dependent Maxwell-Stefan diffusivities, and thermodynamic factors. The latter take into account nonideal diffusion behavior, which is essential as electrolytes involve charged species and therefore nonideal long and short-range interactions among the molecules of the species. Furthermore, we couple our scheme to a finite element method to include electrostatic interactions on the macroscopic level. Numerical experiments show the validity of the presented model.

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  • Received 4 February 2013
  • Revised 24 February 2014

DOI:https://doi.org/10.1103/PhysRevE.89.053310

©2014 American Physical Society

Authors & Affiliations

Jens Zudrop1,2,*, Sabine Roller1,2,†, and Pietro Asinari3,‡

  • 1Applied Supercomputing in Engineering, German Research School for Simulation Sciences, RWTH Aachen, Schinkelstrasse 2a, Aachen, Germany
  • 2Simulation Techniques and Scientific Computing, University Siegen, Hölderlinstrasse 3, Siegen, Germany
  • 3Department of Energy, Politecnico di Torino, Corso Duca degli Abruzzi 24, Torino, Italy

  • *Author to whom correspondence should be addressed: j.zudrop@grs-sim.de
  • sabine.roller@uni-siegen.de
  • pietro.asinari@polito.it

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Issue

Vol. 89, Iss. 5 — May 2014

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