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Journal of Zhejiang University SCIENCE A

ISSN 1673-565X(Print), 1862-1775(Online), Monthly

2009 Vol.10 No.11 P.1636-1641

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

Knight_lizhi@yahoo.com.cn

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


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DOI:

10.1631/jzus.A0920060

CLC number:

O64

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Received:

2009-01-23

Revision Accepted:

2009-04-27

Crosschecked:

2009-09-10

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