Maxwell-Stefan-theory-based lattice Boltzmann model for diffusion in multicomponent mixtures.

The phenomena of diffusion in multicomponent (more than two components) mixtures are universal in both science and engineering, and from the mathematical point of view, they are usually described by the Maxwell-Stefan (MS)-theory-based diffusion equations where the molar average velocity is assumed to be zero. In this paper, we propose a multiple-relaxation-time lattice Boltzmann (LB) model for the mass diffusion in multicomponent mixtures and also perform a Chapman-Enskog analysis to show that the MS continuum equations can be correctly recovered from the developed LB model. In addition, considering the fact that the MS-theory-based diffusion equations are just a diffusion type of partial differential equations, we can also adopt much simpler lattice structures to reduce the computational cost of present LB model. We then conduct some simulations to test this model and find that the results are in good agreement with the previous work. Besides, the reverse diffusion, osmotic diffusion, and diffusion barrier phenomena are also captured. Finally, compared to the kinetic-theory-based LB models for multicomponent gas diffusion, the present model does not include any complicated interpolations, and its collision process can still be implemented locally. Therefore, the advantages of single-component LB method can also be preserved in present LB model.