Adsorption Simulation of Basic Nitrogen Compounds in ZSM-5 and USY Zeolites by Grand Canonical Monte Carlo Method

Abstract:

Adsorption behaviors of pyridine, quinoline and isoquinoline in ZSM-5 and USY zeolites at 773 K were studied by Grand Canonical Monte Carlo simulations. Interaction energy, adsorption isothermal and localization for each adsorbate were obtained. The results show that pyridine and quinoline/isoquinoline molecules have different adsorption behaviors in the zeolite, while quinoline and isoquinoline molecules have similar adsorption behaviors. The maximum interaction energy between quinoline/isoquinoline and zeolite is more negative than that of pyridine and zeolite, which indicates that the quinoline/isoquinoline can be adsorbed more stable than pyridine. But the loadings of pyridine are significantly larger than that of quinoline/isoquinoline at the same pressure. Otherwise, pyridine can be adsorbed on most sites while quinoline/isoquinoline can only enter the large channels or cages. And the adsorption quantities in USY zeolite are much more than the adsorption quantities in ZSM-5 zeolite for each adsorbate.

• Periodical: Advanced Materials Research (Volume 1096)
• Pages: 189-193
• DOI: https://doi.org/10.4028/www.scientific.net/AMR.1096.189
• Online since: April 2015
• Authors: Yi Bin Liu*, Yu Zhen Li, Xue Ding
• Keywords: Adsorption, Basic Nitrogen Compound, GCMC, Simulation, Zeolite

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