Abstract: SIMP (solid isoropic microstructures with pehalization) scheme was applied in the optimization of catalyst geometric structure and active component distribution in catalyst particles for trickle bed reactors. The optimal micro-structure under different reaction rates, reaction orders, reactant diffusion coefficients and liquid film thickness was studied. The results show that onion ring or tree-like hole structures can improve catalytic performance when the active component concentration keeps unchanged. When the particle structure is remained, surface distribution of active components can help to improve catalytic performance. The catalytic efficiency can be increased by 19%~36% for the first order reaction and 50%~76% for the second order reaction after structure optimization. Moreover, the catalytic efficiency can be increased by 100%~600% for the first order slow reaction and 500%~700% for the second order slow reaction after optimization of active component distribution.