Issue 1, 1994

Simulation study of nitrogen adsorption in parallel-sided micropores with corrugated potential functions

Abstract

The adsorption of 12–6 nitrogen in graphite micropores at 77.4 k has been investigated using grand ensemble computer simulation. The pores were modelled as the space between parallel basal planes. Three pore sizes, with internal widths of 2.7 σ, 3.1 σ and 3.6 σ were chosen, and the graphite adsorbent potential was corrugated. The resulting adsorption isotherms are type I in the two smaller pores, but type IV in the largest pore. Hysteresis was observed in the intermediate sized pore but not in the other two. The results are discussed and interpreted in terms of singlet distribution functions from the simulations.

Article information

Article type
Paper

J. Chem. Soc., Faraday Trans., 1994,90, 181-185

Simulation study of nitrogen adsorption in parallel-sided micropores with corrugated potential functions

D. Nicholson, J. Chem. Soc., Faraday Trans., 1994, 90, 181 DOI: 10.1039/FT9949000181

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