Abstract
A numerical computer model was developed to simulate shape selective catalysis on zeolites in a gradientless, isothermic recycle reactor. The reaction scheme consists of two consecutive reactions. A primary product distribution of ortho-, meta- and para-dialkylbenzenes is formed by disproportionation or alkylation in the micropores of the zeolite. Restricted transition state shape selectivity may occur. Subsequent isomerization and diffusion of the isomers may cause product shape selectivity or nonselective equilibration. The influence of mass transport on the observable product distribution and the combination of the above mentioned shape selective effects were studied by computer simulation.
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