A multiscale model is developed to describe the coupled
flow, diffusion,
heat-transfer, and reaction processes at catalyst pellet and fixed
bed reactor levels for heavy paraffin dehydrogenation. With this model,
the pore structures of monodisperse, bidisperse, and egg-shell catalyst
pellets are optimized to improve the yield of mono-olefin under two
assumptions about intrinsic activity. The optimal pore structure is
determined by compromising between the void space for diffusion and
the catalyst volume or surface area for reactions. The optimized monodisperse
and bidisperse catalysts show an improvement of 50.7–83.6%
in the yield relative to the benchmark catalyst. In addition, using
the egg-shell structure for the optimized monodisperse and bidisperse
catalysts would not further significantly improve the yield, as their
diffusion limitation is very weak. There results should serve to guide
the design of catalyst pellets for heavy paraffin dehydrogenation
and even for other reaction systems.