On the cavitation-like pore blocking in ink-bottle pore: evolution of hysteresis loop with neck size

Nguyen, Phuong T. M., Fan, Chunyan, Do, D. D. and Nicholson, D. (2013) On the cavitation-like pore blocking in ink-bottle pore: evolution of hysteresis loop with neck size. Journal of Physical Chemistry C, 117 10: 5475-5484. doi:10.1021/jp4002912


Author Nguyen, Phuong T. M.
Fan, Chunyan
Do, D. D.
Nicholson, D.
Title On the cavitation-like pore blocking in ink-bottle pore: evolution of hysteresis loop with neck size
Journal name Journal of Physical Chemistry C   Check publisher's open access policy
ISSN 1932-7447
1932-7455
Publication date 2013-03-14
Year available 2013
Sub-type Article (original research)
DOI 10.1021/jp4002912
Volume 117
Issue 10
Start page 5475
End page 5484
Total pages 10
Place of publication Washington, United States
Publisher American Chemical Society
Collection year 2014
Language eng
Abstract Studies of adsorption and desorption of argon at 87 K in model ink-bottle pores have been carried out using Monte Carlo simulation. We show that the isotherms can be constructed as a composite of isotherms for a set of unit cells with constant pore size. The mechanisms of adsorption and desorption in an ink-bottle pore can be easily understood from the characteristics of these unit cells, providing insight into how the hysteresis loop would evolve in shape and area when the neck size is varied. The key factor controlling the characteristics of the loop is the relative position of the condensation and evaporation pressures of these unit cells. Two features of particular interest are noted: (i) a pore blocking mechanism might be mistaken as a cavitation if cavitation is interpreted as a sudden change in the amount adsorbed along the desorption branch and (ii) the shape of the hysteresis loop switches from type H1 for small neck sizes to type H2 for larger necks but reverts back to type H1 when the neck size approaches the cavity size.
Keyword Monte Carlo simulation
Density functional theory
Capillary condensation
Computer simulation
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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