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Investigation of Mixture Modelling for the Lattice Boltzmann Method

In the field of physical chemistry, multicomponent mixture modeling plays an important role. One issue that comes up is the closure of the diffusion flux, when a single-fluid approach is chosen. In this thesis, two constitutive relations for the diffusive transport are discussed. Among these two models the Fickian formulation is the more popular, which was derived from binary mixture experiments, whereas the Maxwell-Stefan relations were developed based on kinetic theory. Both models are discretized in two dimensions using the finite difference method. The resulting equations are implemented in C++ and the fluid flow simulation is implemented using the Lattice Boltzmann Method. The numerical experiments serve to verify the implementation and to demonstrate the limited validity of Fick’s law of diffusion with respect to multicomponent mixtures.