The effect of pore geometry on adsorption behavior
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We compare the adsorption behavior (adsorption isotherms, phase equilibria and heats of adsorption) for simple fluids in pores of slit and cylindrical geometry. Calculations are based on an accurate non-local density functional theory, together with Lennard- Jones (LJ) interactions. For each pore geometry we examine the effects of intermolecular parameters, temperature and pore size. Well known experimental phenomena such as the crossing of isotherms is addressed in our discussion. Key signatures of different pore geometries are described. For small pores slits show qualitative different behavior from, the cylindrical geometry, since as pore size goes to zero the slit approaches a two-dimensional limit, whereas cylindrical pores go to a one dimensional limit. The implications of this behavior on properties such as the isosteric heat are studied. 1994 Elsevier Science B.V.
Studies in Surface Science and Catalysis
author list (cited authors)
Balbuena, P. B., & Gubbins, K. E.
complete list of authors
Balbuena, Perk B||Gubbins, Keith E