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Molecular Physics
An International Journal at the Interface Between Chemistry and Physics
Volume 95, 1998 - Issue 2
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Original Articles

The structure of associating fluids restricted by permeable walls: a density functional approach

ANDRZEJ PATRYKIEJEW Department for the Modelling of Physico-Chemical Processes and Department of Chemical Physics, Maria Curie-Skłodowska University, 20031, Lublin, Poland
,
STEFAN SOKOŁOWSKI Department for the Modelling of Physico-Chemical Processes and Department of Chemical Physics, Maria Curie-Skłodowska University, 20031, Lublin, Poland
&
DOUGLAS HENDERSON Department of Chemistry and Biochemistry, Brigham Young University, Provo, UT, 84602, USA
Pages 211-218 | Received 09 Dec 1997, Accepted 05 Mar 1998, Published online: 01 Sep 2009
 
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Abstract

The adsorption of associating hard spheres at a hard wall and restricted by permeable walls is studied using modified Meister—Krool density functional theory and Monte Carlo simulation. Two models with one and four bonding sites per particle are considered. It is shown that the proposed version of the density functional approach works slightly better than the theory developed by Segura and coworkers.

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