A study of shape selectivity on zeolites in ethylbenzene disproportionation [simulation and experiment]

摘要: Abstract To gain a deeper insight into shape selectivity on zeolites, ethylbenzene disproportionation was studied in detail by computer simulation and experiment. Two continuum models were developed: first microkinetic (pseudo homogeneous) one, which considers only intrinsic chemical kinetics can be solved analytically. Second, more complex macrokinetic (heterogeneous) additionally transport phenomena numerically. Both allow study of the dependence several parameters. Such important parameters include activity diffusivity reaction system operating conditions gradientless recycle reactor, chosen for experiment, respectively. For experimental investigations HZSM-5 zeolite used. Geometric constraints product molecules within pores favour formation paradiethylbenzene. Therefore, causes high para-selectivity. Comparing data to simulated results, model allowed an adequate fit paraselectivities points out that corresponding assumptions seem true. Thus it is concluded under para-isomer exclusively formed inside pore structure subsequent isomerization occurs external surface only.