NDLI: Molecular Modeling of Mercury Porosimetry

Content Provider	Springer Nature Link
Author	Porcheron, F. Monson, P. A. Thommes, M.
Copyright Year	2005
Abstract	We present a molecular thermodynamic approach to model mercury porosimetry. A lattice model is used to describe the intrusion/extrusion of mercury into different pore structures. The non-wetting nature of mercury is modeled by setting the wall-fluid interaction of the lattice model to repulsive values. We perform Mean-Field Density Functional Theory calculations on a mesoporous Vycor glass for different temperatures. The shape of the intrusion/extrusion curves is in good agreement with experimental observations. Visualizations of the liquid distribution in the Vycor glass reveal a fragmentation of mercury along the extrusion curve. The calculations performed on ink-bottle pore show that this fragmentation is caused by the snap-off of mercury from the necks leading to a droplet of mercury entrapped into the bottle part of the pore. This phenomenon is likely to play a role in the mechanism of mercury entrapment frequently observed during experiments.
Starting Page	325
Ending Page	329
Page Count	5
File Format	PDF
ISSN	09295607
Journal	Adsorption
Volume Number	11
Issue Number	1
e-ISSN	15728757
Language	English
Publisher	Kluwer Academic Publishers
Publisher Date	2005-01-01
Publisher Place	Boston
Access Restriction	One Nation One Subscription (ONOS)
Subject Keyword	mercury porosimetry lattice model Vycor Industrial Chemistry/Chemical Engineering Engineering Thermodynamics, Transport Phenomena Surfaces and Interfaces, Thin Films
Content Type	Text
Resource Type	Article
Subject	Chemistry Chemical Engineering Surfaces and Interfaces

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