A combined approach of Lattice Boltzmann Method and Maxwell-Stefan equation for modeling multi-component diffusion in solid oxide fuel cell

TL;DR

This paper introduces a novel Lattice Boltzmann model coupled with the Maxwell-Stefan equation for accurately simulating multi-component diffusion in solid oxide fuel cells, overcoming previous model limitations and aligning well with experimental data.

Contribution

A new Lattice Boltzmann model is developed that couples with the Maxwell-Stefan equation, reducing errors and limitations of previous models for multi-component diffusion.

Findings

The model accurately predicts H2-H2O-Ar mass transport in SOFC anodes.

It shows better consistency with experimental measurements than previous models.

The approach avoids compressible errors and relaxes velocity and viscosity constraints.

Abstract

Lattice Boltzmann models provide better understanding with mesoscopic eyesight on multi-component diffusion than macroscopic models. Based on the kinetic theory and starting from the He-Luo model, the state-of-the-art multi-component diffusion Lattice Boltzmann models have defects of the compressible error and the limitations for velocity and viscosity settings in lattice units. With these respects, a new Lattice Boltzmann model is presented based on the advection-diffusion equation and is coupled with the Maxwell-Stefan equation by relaxation time. Without introducing the pressure term into the advection-diffusion equation, the model avoids the compressible error. Furthermore, the velocities for components are calculated in the Maxwell-Stefan equation and not contained in the equilibrium distribution function, the limitations of the velocity and viscosity settings in lattice units for under-relaxation iterations are reduced. Then a simulation for H2-H2O-Ar ternary mass transport in the porous anode of the solid oxide fuel cell is employed to validate the accuracy of the Lattice Boltzmann model. The concentration overpotentials are calculated accordingly and compared to several published continuum-scale and Lattice Boltzmann computations, among them, our model offers a better consistency with the experimental measurments.