A critical assessment of capillary condensation and evaporation equations: a computer simulation study

Wongkoblap, A., Do, D. D., Birkett, G. and Nicholson, D. (2011) A critical assessment of capillary condensation and evaporation equations: a computer simulation study. Journal of Colloid and Interface Science, 356 2: 672-680. doi:10.1016/j.jcis.2011.01.074


Author Wongkoblap, A.
Do, D. D.
Birkett, G.
Nicholson, D.
Title A critical assessment of capillary condensation and evaporation equations: a computer simulation study
Journal name Journal of Colloid and Interface Science   Check publisher's open access policy
ISSN 0021-9797
1095-7103
Publication date 2011-04-15
Sub-type Article (original research)
DOI 10.1016/j.jcis.2011.01.074
Open Access Status Not Open Access
Volume 356
Issue 2
Start page 672
End page 680
Total pages 9
Place of publication Maryland Heights, MO, United States
Publisher Academic Press
Abstract Grand Canonical Monte Carlo simulation (GCMC) is used to study the capillary condensation and evaporation of argon adsorption in finite-length carbon cylindrical nanopores. From the simulation results of local density distributions in the radial and axial directions we obtain the contact angle and the core radii just before condensation and just after evaporation. These are then used in the Kelvin equation (evaporation) and Cohan equation (condensation) to obtain the product of surface tension and liquid molar volume. This product is found to be always greater than for the bulk liquid. We test this deviation with pores of different length and radius and find that both affect the derived product of surface tension and liquid molar volume. The implication of this finding is that if the values of surface tension and liquid molar volume of the bulk phase are used in the Kelvin equation the pore radius will be underestimated. For argon adsorption in cylindrical pores we propose that the Kelvin and Cohan equations should be modified to take account of the difference between the fluid in the adsorbed phase in the confined space and that in the bulk phase.
Keyword Adsorption
Argon
Contact angle
Finite length
Q-Index Code C1
Q-Index Status Provisional Code
Institutional Status UQ

Document type: Journal Article
Sub-type: Article (original research)
Collection: School of Chemical Engineering Publications
 
Versions
Version Filter Type
Citation counts: TR Web of Science Citation Count  Cited 6 times in Thomson Reuters Web of Science Article | Citations
Scopus Citation Count Cited 7 times in Scopus Article | Citations
Google Scholar Search Google Scholar
Created: Thu, 28 Nov 2013, 04:18:09 EST by System User on behalf of School of Chemical Engineering