title: Lattice Boltzmann scheme for electrolytes by an extended Maxwell-Stefan approach.
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.
authors.affiliation: Applied Supercomputing in Engineering, German Research School for Simulation Sciences, RWTH Aachen, Schinkelstrasse 2a, Aachen, Germany and Simulation Techniques and Scientific Computing, University Siegen, Hölderlinstrasse 3, Siegen, Germany.
authors.forename: Jens
authors.initials: J
authors.lastname: Zudrop
authors.affiliation: Applied Supercomputing in Engineering, German Research School for Simulation Sciences, RWTH Aachen, Schinkelstrasse 2a, Aachen, Germany and Simulation Techniques and Scientific Computing, University Siegen, Hölderlinstrasse 3, Siegen, Germany.
authors.forename: Sabine
authors.initials: S
authors.lastname: Roller
authors.affiliation: Department of Energy, Politecnico di Torino, Corso Duca degli Abruzzi 24, Torino, Italy.
authors.forename: Pietro
authors.initials: P
authors.lastname: Asinari