Topologies of capillary condensation

M. J. Bojan, E. Cheng, Milton Walter Cole, W. A. Steele

Research output: Contribution to journalArticle

14 Citations (Scopus)

Abstract

Calculations are presented to illustrate the dependence of capillary adsorption upon the interactions present in model pores. The sequence of phase transitions at zero temperature is determined for a Lennard-Jones lattice gas in a pore consisting of 4 x 4 x ∞ sites. The dependence of the specific filling sequence upon the comparative strength of the gas-pore wall and the gas-gas interaction well-depths is determined. Grand canonical Monte Carlo simulations of sorption at finite temperature in the continuum version of the same model pore are also reported. Both the theory and the simulations were performed with variable gas-solid and gas-gas energy well-depths. At a temperature of 90 K, the gas-solid heterogeneity associated with atoms adsorbed in the corners, on the walls and in the interior pore volume gives rise to sequential adsorption similar to that observed in the lattice gas calculation at 0 K. A gradual approach to non-wetting behavior is observed as the gas-solid well-depth decreases. Values of the gas-solid well-depth needed to produce pore filling at saturation (i.e., "pore-wetting") are discussed.

Original languageEnglish (US)
Pages (from-to)51-58
Number of pages8
JournalAdsorption
Volume2
Issue number1
DOIs
StatePublished - Jan 1 1996

Fingerprint

Condensation
topology
condensation
Gases
Topology
porosity
gases
gas-gas interactions
adsorption
Adsorption
Saturation (materials composition)
sorption
adatoms
wetting
temperature
simulation
Temperature
Wetting
Sorption
continuums

All Science Journal Classification (ASJC) codes

  • Chemistry(all)
  • Chemical Engineering(all)
  • Surfaces and Interfaces

Cite this

Bojan, M. J., Cheng, E., Cole, M. W., & Steele, W. A. (1996). Topologies of capillary condensation. Adsorption, 2(1), 51-58. https://doi.org/10.1007/BF00127098
Bojan, M. J. ; Cheng, E. ; Cole, Milton Walter ; Steele, W. A. / Topologies of capillary condensation. In: Adsorption. 1996 ; Vol. 2, No. 1. pp. 51-58.
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Bojan, MJ, Cheng, E, Cole, MW & Steele, WA 1996, 'Topologies of capillary condensation', Adsorption, vol. 2, no. 1, pp. 51-58. https://doi.org/10.1007/BF00127098

Topologies of capillary condensation. / Bojan, M. J.; Cheng, E.; Cole, Milton Walter; Steele, W. A.

In: Adsorption, Vol. 2, No. 1, 01.01.1996, p. 51-58.

Research output: Contribution to journalArticle

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Bojan MJ, Cheng E, Cole MW, Steele WA. Topologies of capillary condensation. Adsorption. 1996 Jan 1;2(1):51-58. https://doi.org/10.1007/BF00127098