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 non-ideal diffusion behavior, which is essential as electrolytes involve charged species and therefore non-ideal 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.
A Lattice Boltzmann scheme for electrolytes by an extended Maxwell-Stefan approach / Jens Zudrop; Sabine Roller; Pietro Asinari. - In: PHYSICAL REVIEW E, STATISTICAL, NONLINEAR, AND SOFT MATTER PHYSICS. - ISSN 1539-3755. - STAMPA. - 89(2014), p. 053310.
|Titolo:||A Lattice Boltzmann scheme for electrolytes by an extended Maxwell-Stefan approach|
|Data di pubblicazione:||2014|
|Digital Object Identifier (DOI):||http://dx.doi.org/10.1103/PhysRevE.89.053310|
|Appare nelle tipologie:||1.1 Articolo in rivista|