Acta Phys. -Chim. Sin. ›› 2009, Vol. 25 ›› Issue (02): 285-290.doi: 10.3866/PKU.WHXB20090215

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Simulation of Methane Adsorption in AFS Molecular Sieves

CHEN Shan-Jun; DAI Wei; LUO Jiang-Shan; TANG Yong-Jian; WANG Chao-Yang; SUN Wei-Guo   

  1. Institute of Atomic and Molecular Physics, Sichuan University, Chengdu 610065, P. R. China; Research Centre of Laser Fusion, China Academy of Engineering Physics, Mianyang 621900, Sichuan Province, P. R. China
  • Received:2008-07-25 Revised:2008-10-27 Published:2009-01-16
  • Contact: TANG Yong-Jian

Abstract: The adsorption of methane in AFS molecular sieves was investigated by a grand canonical Monte Carlo (GCMC) simulation. The results were compared with the methane adsorption in IRMOF-6 materials obtained by Dvren et al. (Langmuir, 2004, 20: 2683). It was indicated that the adsorbed amouts in AFS were very striking. AFS molecular sieve is relative ideal adsorbent in the adsorbs storage natural gas system at the medium and low pressure. The Dubinin-Astakhov (DA) method was employed to analyze the physical factors that affect the storage of methane.

Key words: Methane, Adsorption isotherm, Molecular sieve, Grand canonical Monte Carlo, Simulation


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