滴流床反应器催化剂颗粒微观结构的模拟优化

Simulation Optimization of Micro Structure of Catalyst Particles in Trickle Bed Reactors

使用SIMP变密度拓扑优化法,对滴流床反应器催化剂颗粒的拓扑形状和催化活性组分在颗粒中的分布进行优化设计,研究了催化剂颗粒在不同的反应速率、反应级数、反应组分扩散系数和液膜厚度下的优化形态。结果表明,维持催化活性组分在催化剂颗粒载体中的浓度不变时,在颗粒中制作成洋葱或树状的中空结构可有效提升催化剂效率;维持催化剂颗粒形状不变时,为提高催化能力,可将催化活性组分沿颗粒侧表面集中分布。经催化剂结构优化后,颗粒对一级反应的催化转化率提高了19%~36%,对二级反应提高了50%~76%;经催化活性组分分布优化后,颗粒对一级慢反应的催化转化率提高了1~6倍,对二级慢反应提高了5~7倍。

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.