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.
- Received 4 February 2013
- Revised 24 February 2014
DOI:https://doi.org/10.1103/PhysRevE.89.053310
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