RESEARCH ON ADSORPTION OF ETHYLBENZENE AND PARA-XYLENE ON ZSM-5 ZEOLITE BY MONTE CARLO SIMULATION

Abstract

Abstract: The adsorption behavior of ethylbenzene and p-xylene on ZSM-5 zeolites with different Si-Al ratio was studied by using the macro-canonical statistics ensemble Monte Carlo simulation method and verified by the catalytic reaction of industrial samples. GCMC simulation showed that the adsorption energy of EB is higher than that of PX on different ZSM-5 zeolites. EB and PX were adsorped mainly at the intersection of the two channels of the zeolites. With increasing Al content, the adsorption states are diverse. The adsorption quantity reaches a platform at 200kPa and 623K. It was shown by the catalytic experiments that the reaction of ethylbenzene to benzene is much easier than that of PX to toluene, which is consistent with the adsorption trend by GCMC.

Key words: ZSM-5 zeolite, Monte Carlo simulation, xylene isomerization, ethylbenzene dealkylation, adsorption

CLC Number:

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RESEARCH ON ADSORPTION OF ETHYLBENZENE AND PARA-XYLENE ON ZSM-5 ZEOLITE BY MONTE CARLO SIMULATION

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