Issue
Korean Journal of Chemical Engineering,
Vol.20, No.1, 104-109, 2003
Adsorption of Methane and Ethane into Single-Walled Carbon Nanotubes and Slit-Shaped Carbonaceous Pores
The adsorption equilibria of methane, ethane and their binary mixture in single-walled carbon nanotubes (SWNTs) and slit-shaped carbonaceous pores were studied by using a Grand Canonical Monte Carlo (GCMC) method. We used a slit-shaped pore for microporous structure of activated carbons and an armchair type of cylindrical pore for SWNTs. Methane was modeled as a spherical Lennard-Jones (LJ) model and ethane as two LJ sites with the unified methyl group. The isotherms of both components in micropore region displayed Type I adsorption by Brunauer et al., which corresponds to unimolecular adsorption. At low pressure the storage capacity of SWNTs for pure components of methane and ethane was higher than that for slit-shaped pore geometries of the same size, and the selectivities of equimolar bulk gas mixture were much higher. GCMC was shown to give good qualitative agreement with Ideal Adsorbed Solution Theory (IAST).
[References]
  1. Ajayan PM, Stephan O, Colliex C, Trauth D, Science, 265(5176), 1212, 1994
  2. Allen MP, Tildesley DJ, "Computer Simulation of Liquids," clarendon, Oxford, England, 1987
  3. Brunauer S, Deming LS, Deming WE, Teller E, J. Am. Chem. Soc., 62, 1723, 1940
  4. Burchell TD, "Carbon Materials for Advanced Technologies," Pergamon Press, Oxford, England, 1999
  5. Cranknell RF, Nicholson D, Quirke N, Mol. Sim., 13, 161, 1994
  6. Dujardin E, Ebbesen TW, Hiura H, Tanigaki K, Science, 265(5180), 1850, 1994
  7. Ebbesen TW, Ajayan PM, Hiura H, Tanigaki K, Nature, 367(6463), 519, 1994
  8. Frenkel D, Smit B, "Understanding Molecular Simulation from Algorithms to Applications," Academic Press, San Diego, 1996
  9. Gusev VY, Obrien JA, Langmuir, 13(10), 2822, 1997
  10. Heuchel M, Davies GM, Buss E, Seaton NA, Langmuir, 15(25), 8695, 1999
  11. Iijima S, Nature, 354, 56, 1991
  12. Lee SW, Park DK, Lee JK, Ju JB, Sohn TW, Korean J. Chem. Eng., 18(3), 371, 2001
  13. Kaneko K, Cracknell RF, Nicholson D, Langmuir, 10(12), 4606, 1994
  14. Kim DJ, Shim WG, Moon H, Korean J. Chem. Eng., 18(4), 518, 2001
  15. Kim DK, Kum GH, Seo YG, HWAHAK KONGHAK, 39(3), 307, 2001
  16. Kim SJ, Cho SY, Kim TY, Korean J. Chem. Eng., 19(1), 61, 2002
  17. Kim TY, Kim SJ, Cho SY, Korean J. Chem. Eng., 18(5), 755, 2001
  18. Myers AL, Prausnitz JM, AIChE J., 11, 121, 1965
  19. Patrick JW, "Porosity in Carbons," Edward Arnold, London, 1995
  20. Quirke N, Tennison SRR, Carbon, 34, 1281, 1996
  21. Seo YG, Kum GH, Seaton NA, J. Membr. Sci., 195(1), 65, 2002
  22. Steele WA, "The Interaction of Gases with Solid Surface," Pergamon Press, Oxford, England, 1974
  23. Tsang SC, Chen YK, Harris PJ, Green ML, Nature, 372(6502), 159, 1994
  24. Yang RT, "Gas Separation by Adsorption Processes," Butterworths, Boston, 1987