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ZJUS-A
Journal of Zhejiang University-SCIENCE A (Applied Physics & Engineering)  2009, Vol. 10 Issue (11): 1636-1641    DOI: 10.1631/jzus.A0920060
Chemical and Energy Engineering     
Molecular simulations of methane, ethane and propane adsorption on TON
Cheng PENG, Zhi LI, Xiao-min SUN
Department of Chemistry, Tongji University, Shanghai 200092, China; College of Water Conservancy, Changsha Science and Technology University, Changsha 410114, China; The Environment Research Institute of Shandong University, Jinan 250100, China
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Abstract  The aim of this study was to understand and characterize the adsorption of small alkanes, namely methane, ethane and propane, in zeolite TON through detailed Monte Carlo simulations. The isotherms of pure components were calculated and showed good agreement with experimental data. The adsorption positions, adsorption energy of pure components and isotherms of mixtures were also simulated and the results are discussed.

Key words： Monte Carlo simulations      Zeolite      Adsorption     
Received: 23 January 2009     
CLC:  O64  
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Xiao-min SUN
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Cheng PENG, Zhi LI, Xiao-min SUN. Molecular simulations of methane, ethane and propane adsorption on TON. Journal of Zhejiang University-SCIENCE A (Applied Physics & Engineering), 2009, 10(11): 1636-1641.

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http://www.zjujournals.com/xueshu/zjus-a/10.1631/jzus.A0920060     OR     http://www.zjujournals.com/xueshu/zjus-a/Y2009/V10/I11/1636

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