Modelling of the hysteresis phenomena in the finite size slit-like nanopores

Kowalczyk, P, Kaneko, K, Solarz, L, Terzyk, A, Tanaka, H and Hooyst, R 2005, 'Modelling of the hysteresis phenomena in the finite size slit-like nanopores', Langmuir, vol. 21, pp. 6613-6613.

Document type: Journal Article
Collection: Journal Articles

Title Modelling of the hysteresis phenomena in the finite size slit-like nanopores
Author(s) Kowalczyk, P
Kaneko, K
Solarz, L
Terzyk, A
Tanaka, H
Hooyst, R
Year 2005
Journal name Langmuir
Volume number 21
Start page 6613
End page 6613
Total pages 1
Publisher American Chemical Society
Abstract The systematic investigation of the hysteresis phenomena in finite-sized slitlike nanopores via the Aranovich-Donohue (AD) lattice density functional theory (LDFT) is presented. The new reliable quantitative modeling of the adsorption and desorption branch of the hysteresis loop, through the formation and movement of the curved meniscus, is formulated. As a result, we find that our proposal, which closely mimics the experimental findings, can reproduce a rounded shape of the desorption branch of the hysteresis loop. On the basis of the exhausted commutations, we proved that the hysteresis loop obtained in the considered finite-sized slitlike geometry is of the H1 type of the IUPAC classification. This fundamental result and the other most important results do not confirm the results of the recent studies of Sangwichien et al., whereas they fully agree with the recent lattice studies due to Monson et al. We recognize that the nature of the hysteresis loops (i.e. position, width, shape, and the multiple steps) mainly depends on the value of the energy of both the adsorbate-adsorbate and adsorbate-adsorbent interactions; however, the first one is critical for the appearance of hysteresis. Thus, for relatively small adsorbate-adsorbate interactions, the adsorption-desorption process is fully reversible in the whole region of the bulk density. We show that the strong adsorbate-adsorbent interactions produce (also observed experimentally) multiple steps within hysteresis loops. Contrary to the other studies of the hysteresis phenomena in confined geometry via the LDFT formalism, we constructed both ascending and descending scanning curves, which are known from the experimental observations. Additionally, we consider the problem of the stability of both the obtained adsorption and desorption branches of the computed hysteresis loop in finite-sized slitlike nanopores.
Subject Physical Chemistry not elsewhere classified
DOI - identifier 10.1021/la0501132
ISSN 0743-7463
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