Sorption of Methane, Nitrogen, Oxygen, and Argon in ZSM-5 with different SiO2/Al2O3 Ratios: Grand Canonical Monte Carlo Simulation and Volumetric Measurements

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• 作者：Govind Sethia ; Renjith S. Pillai ; Ganga P. Dangi ; Rajesh S. Somani ; Hari C. Bajaj ; Raksh V. Jasra
• 刊名：Industrial & Engineering Chemistry Research
• 出版年：2010
• 出版时间：March 3, 2010
• 年：2010
• 卷：49
• 期：5
• 页码：2353-2362
• 全文大小：489K
• 年卷期：v.49,no.5(March 3, 2010)
• ISSN：1520-5045

文摘

Sorption of CH₄, N₂, O₂, and Ar in ZSM-5 with different SiO₂/Al₂O₃ ratios was studied by volumetric measurements and grand canonical Monte Carlo simulation. Sorption capacity for all the gases studied was observed to decrease with an increase in the SiO₂/Al₂O₃ ratio of ZSM-5. The sorption selectivity of CH₄ over N₂ increases, whereas sorption selectivities of N₂ over O₂ and Ar decrease with an increase in the SiO₂/Al₂O₃ ratio of ZSM-5. ZSM-5 with SiO₂/Al₂O₃ of 900 showed higher selectivity for CH₄ over N₂, whereas the SiO₂/Al₂O₃ ratio of 25 showed higher N₂ selectivity over O₂ and Ar. The heats of adsorption for CH₄ and N₂ decrease and that for O₂ and Ar remain unaffected with an increase in SiO₂/Al₂O₃ ratio of ZSM-5. The values of Henry’s constant were also calculated for CH₄, N₂, O₂, and Ar for adsorption in ZSM-5 having varied SiO₂/Al₂O₃ ratio. The experimental results were compared with theoretically calculated data using grand canonical Monte Carlo (GCMC) simulation. Simulation studies expectedly showed the proximity of N₂ molecules to the sites occupied by extraframework sodium cations.