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Publication Detail
Monte-Carlo simulations of methane/carbon dioxide and ethane/carbon dioxide mixture adsorption in zeolites and comparison with matrix treatment of statistical mechanical lattice model
  • Publication Type:
    Journal article
  • Publication Sub Type:
    Article
  • Authors:
    Dunne LJ, Furgani A, Jalili S, Manos G
  • Publisher:
    ELSEVIER SCIENCE BV
  • Publication date:
    18/05/2009
  • Pagination:
    27, 30
  • Journal:
    CHEM PHYS
  • Volume:
    359
  • Issue:
    1-3
  • Print ISSN:
    0301-0104
  • Language:
    EN
  • Keywords:
    Mixture adsorption, Monte-Carlo simulation, Lattice model, ALKANES, SILICALITE
  • Addresses:
    Manos, G
    UCL
    Dept Chem Engn
    London
    WC1E 7JE
    England
Abstract
Adsorption isotherms have been computed by Monte-Carlo simulation for methane/carbon dioxide and ethane/carbon dioxide mixtures adsorbed in the zeolite silicalite. These isotherms show remarkable differences with the ethane/carbon dioxide mixtures displaying strong adsorption preference reversal at high coverage. To explain the differences in the Monte-Carlo mixture isotherms an exact matrix calculation of the statistical mechanics of a lattice model of mixture adsorption in zeolites has been made. The lattice model reproduces the essential features of the Monte-Carlo isotherms, enabling us to understand the differing adsorption behaviour of methane/carbon dioxide and ethane/carbon dioxide mixtures in zeolites. (C) 2009 Elsevier B.V. All rights reserved.
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