Modeling new adsorbents for ethylene/ethane separations by adsorption via π-complexation

Felipe J. Blas, Lourdes F. Vega, Keith E. Gubbins

Research output: Contribution to journalConference articlepeer-review

32 Scopus citations


The adsorption of olefins and paraffins in porous adsorbents was studied using molecular dynamics simulation. The single-component adsorption isotherms for ethane and ethylene on bare γ-alumina and on CuCl/γ-Al2O3 were obtained using grand canonical Monte Carlo simulation. The adsorption on bare γ-Al2O3 is very similar for both molecules, with no selectivity for ethylene. The preferential adsorption of ethylene on CuCl/γ-Al2O3 is due to the presence of CuCl molecules.

Original languageBritish English
Pages (from-to)117-124
Number of pages8
JournalFluid Phase Equilibria
Issue number151
StatePublished - 1998
EventProceedings of the 1997 13th Symposium on Thermophysical Properties - Boulder, CO, USA
Duration: 22 Jun 199727 Jun 1997


  • Adsorption
  • Ethane
  • Ethylene
  • Molecular model
  • Monte Carlo simulation
  • Separation


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