Journal of Zhejiang University-SCIENCE A

, Volume 10, Issue 11, pp 1636–1641 | Cite as

Molecular simulations of methane, ethane and propane adsorption on TON

Article

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 

CLC number

O64 

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Copyright information

© Zhejiang University and Springer Berlin Heidelberg 2009

Authors and Affiliations

  1. 1.Department of ChemistryTongji UniversityShanghaiChina
  2. 2.College of Water ConservancyChangsha Science and Technology UniversityChangshaChina
  3. 3.The Environment Research Institute of Shandong UniversityJinanChina

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