We present recent applications of multiphase lattice Boltzmann simulations
to catalysis. First, we investigate the formation and transport of gas bubbles
across a model porous catalyst/electrode using color gradient lattice Boltzmann
simulations. This approach enables us to systematically examine the influence
of a wide range of morphologies, flow velocities, and reaction rates on the
efficiency of gas production. By exploring these parameters, we identify
critical parameter combinations that significantly contribute to an enhanced
yield of gas output. Then, we focus on improved catalyst support materials
based on bicontinuous materials, which show distinct advantages in comparison
to classical stochastic support morphologies. We validate the enhanced
performance of these geometries through miscible reactive flow simulations and
demonstrate that such geometrically optimised catalyst support structures allow
for an almost threefold increase in reactor effectiveness.
To conclude, we provide an outlook on our recent development of a phase-field
lattice Boltzmann method for electrochemical applications.

Reactive flows,Multiphase flow,Catalysis