On the cavitation and pore blocking in cylindrical pores with simple connectivity

Nguyen, Phuong T. M., Do, D. D. and Nicholson, D. (2011) On the cavitation and pore blocking in cylindrical pores with simple connectivity. The Journal of Physical Chemistry B, 115 42: 12160-12172. doi:10.1021/jp2068304

Author Nguyen, Phuong T. M.
Do, D. D.
Nicholson, D.
Title On the cavitation and pore blocking in cylindrical pores with simple connectivity
Journal name The Journal of Physical Chemistry B   Check publisher's open access policy
ISSN 1520-6106
Publication date 2011-09-09
Sub-type Article (original research)
DOI 10.1021/jp2068304
Volume 115
Issue 42
Start page 12160
End page 12172
Total pages 13
Place of publication Washington, DC, United States
Publisher American Chemical Society
Collection year 2012
Language eng
Formatted abstract
ABSTRACT: We present a grand canonical Monte Carlo (GCMC) simulation of argon adsorption in connected cylindrical pores at 87.3 K. A number of pore models are constructed from various components: finite cylinder, finite cone, and flat surface. In the case of two cylinders of different sizes connected to each other with open ends, the adsorption isotherm can be described by a combination of two independent pores, the smaller of which is opened at both ends while the larger one is closed at one end. The adsorption isotherm depends on the relative size between the two sections of the connected pore. In the case of a cavity connected to the bulk surrounding gas via one or two narrower cylindrical necks, the phenomenon of either pore blocking or cavitation is observed, depending on the relative size between the neck and the cavity. If the neck size is smaller than a critical size, Dc, we observe cavitation, while pore blocking is observed when it is greater than Dc. This is due to the dominance of one of two mechanisms for removal of the adsorbates: either the receding of the menisci or the stretching of the fluid in the cavity. We also explore the effects of neck length and cavity length on the adsorption isotherm and conclude that while the neck length has a negligible effect on cavitation, it is of considerable importance when pore blocking occurs, because this process is controlled by the formation and movement of the meniscus in the pore neck. The effect of cavity length is found to be negligible in both cases.
Keyword Nitrogen sorption isotherm
Desorption branch
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 2012 Collection
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Citation counts: TR Web of Science Citation Count  Cited 20 times in Thomson Reuters Web of Science Article | Citations
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