, Volume 19, Issue 1, pp 131–142

On the description of isotherms of CH4 and C2H4 adsorption on graphite from subcritical to supercritical conditions

Reconciliation between computer simulation and experimental data


  • Mus’ab Abdul Razak
    • School of Chemical EngineeringUniversity of Queensland
    • School of Chemical EngineeringUniversity of Queensland
  • Toshihide Horikawa
    • Department of Advanced Materials, Institute of Technology and ScienceThe University of Tokushima
  • Keita Tsuji
    • BEL Japan, inc.
  • D. Nicholson
    • School of Chemical EngineeringUniversity of Queensland

DOI: 10.1007/s10450-012-9433-z

Cite this article as:
Abdul Razak, M., Do, D.D., Horikawa, T. et al. Adsorption (2013) 19: 131. doi:10.1007/s10450-012-9433-z


Different potential models for methane and ethylene are tested for their suitability for the description of bulk phase behavior, including coexistence, and adsorption on a graphite surface under sub- and super-critical conditions using GCMC simulation. Under sub-critical conditions, those intermolecular potential models that describe correctly the vapor–liquid equilibria were found to be adequate for the description of surface adsorption. These potential models can also give a good account of adsorption under supercritical conditions or near-critical conditions, provided the experimental data (in terms of excess) are correctly obtained with the reliably determined void volume as illustrated in this paper with methane adsorption.



Supplementary material

10450_2012_9433_MOESM1_ESM.pdf (279 kb)
(PDF 182 kB)

Copyright information

© Springer Science+Business Media New York 2012