Rf. Cracknell et D. Nicholson, GRAND-CANONICAL MONTE-CARLO STUDY OF LENNARD-JONES MIXTURES IN SLIT PORES .3. MIXTURES OF 2 MOLECULAR FLUIDS - ETHANE AND PROPANE, Journal of the Chemical Society. Faraday transactions, 90(11), 1994, pp. 1487-1493
Citations number
23
Categorie Soggetti
Chemistry Physical","Physics, Atomic, Molecular & Chemical
Mixtures of ethane and propane in a slit micropore at ambient temperat
ures have been simulated in the grand ensemble. Ethane was modelled as
two Lennard-Jones sites and propane as three Lennard-Jones sites. A n
ew type of selectivity-pressure profile, outside the Tan-Gubbins class
ification, has been noted. The mixed adsorption of the two gases was f
ound to be thermodynamically ideal. Molecular shape and pore size were
found to play an important role in determining the extent of adsorpti
ve separation. Much of the observed behaviour is shown to be entropy d
riven.