GCMC simulation of argon adsorption in wedge shaped mesopores of finite length

Nickmand, Zahra, Do, D. D., Nicholson, D., Aghamiri, Seyed Foad, Khozanie, Mohammad Reza Talaie and Sabzyan, Hasan (2013) GCMC simulation of argon adsorption in wedge shaped mesopores of finite length. Adsorption-Journal of the International Adsorption Society, 19 6: 1245-1252. doi:10.1007/s10450-013-9565-9

Author Nickmand, Zahra
Do, D. D.
Nicholson, D.
Aghamiri, Seyed Foad
Khozanie, Mohammad Reza Talaie
Sabzyan, Hasan
Title GCMC simulation of argon adsorption in wedge shaped mesopores of finite length
Journal name Adsorption-Journal of the International Adsorption Society   Check publisher's open access policy
ISSN 0929-5607
Publication date 2013-12
Sub-type Article (original research)
DOI 10.1007/s10450-013-9565-9
Volume 19
Issue 6
Start page 1245
End page 1252
Total pages 8
Place of publication New York, NY, United States
Publisher Springer
Collection year 2014
Language eng
Abstract We have used Grand Canonical Monte Carlo simulation to study argon adsorption at 87 K in wedge shaped mesopores. The structural parameters, including mean pore size, wall length and wedge angle, were varied to investigate their effects on the size, shape and the position of the hysteresis loop. Although the effects of pore size have been studied previously, the wall length and wedge angle have received little attention. We find that the wedge angle can have a significant effect on the existence, position, size and shape of the hysteresis loop, while the wall length affects the adsorptive capacity associated with the loop and the behaviour of the isotherm beyond the loop. The results of this work have far-reaching consequences for the characterization of pore size distribution where it is commonly assumed, when constructing a kernel of local isotherms, that pore size is uniform, since even a small deviation from a constant pore width can shift the condensation and evaporation pressures significantly and thus lead to an incorrect estimation of pore size.
Keyword Adsorption
Slit mesopore
Wedge mesopore
Q-Index Code C1
Q-Index Status Confirmed Code
Institutional Status UQ

Document type: Journal Article
Sub-type: Article (original research)
Collections: School of Chemical Engineering Publications
Official 2014 Collection
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Citation counts: TR Web of Science Citation Count  Cited 3 times in Thomson Reuters Web of Science Article | Citations
Scopus Citation Count Cited 3 times in Scopus Article | Citations
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