Citation:
Lev D. Gelb , Molecular Physics 100 #13 (2002) 2049-2057

Abstract: We have performed a series of simulations of adsorption and desorption of a simple model of xenon in cylindrical pores of a silica-like material. Closed-ended, open-ended, and single-ended pores of either 3 nm or 4 nm diameter are considered, and the pore length is varied between 8 nm and 108 nm. This study exposes some of the possible mechanisms of pore filling and emptying, and demonstrates that hysteresis can be almost entirely suppressed in certain pore geometries. The effects of pore length are considered, and the thermodynamics of one-dimensional systems and the nature of ``capillary critical points'' are discussed.

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