Structure and adsorption of a hard sphere fluid in a cylindrical and spherical pore filled by a disordered matrix: a Monte Carlo study
Article Abstract:
Grand canonical Monte Carlo simulations were used to analyze a model of a hard sphere fluid adsorbed in a cylindrical and spherical pore filled with a quenched disordered matrix of hard sphere particles. It was observed that the adsorption depends on the microporosity values and on geometric constraints because of the pore. Higher adsorption was found for pores filled by a matrix with higher microporosity and in narrower pores. Further, layering of the adsorbed fluid in pores filled with disordered matrix is formed with increasing chemical potential of fluid species.
Publication Name: Journal of Physical Chemistry B
Subject: Chemicals, plastics and rubber industries
ISSN: 1520-6106
Year: 1998
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On the separation of nonadditive symmetric mixtures in nanoscopic slitlike pores: A simple model for racemic fluids
Article Abstract:
A grand canonical ensemble Monte Carlo simulation method is used to study the adsorption on nonadditive symmetric mixtures of Lennard-Jones spherical particles in nanoscopic slitlike pores. It is shown that the mixture may separate into layers containing only one component each and the stacking may depend on the pore width and properties of the mixture.
Publication Name: Journal of Physical Chemistry B
Subject: Chemicals, plastics and rubber industries
ISSN: 1520-6106
Year: 2005
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Adsorption of a binary mixture of adhesive fluids in planar pores: A Monte Carlo study
Article Abstract:
The adsorption of a binary sticky hard-sphere fluid mixture in planar pores is analyzed by using grand canonical Monte Carlo (GCMC) simulation. The results have shown that narrowing of the pore causes selective partitioning of individual components of the mixture between the bulk phase and the interior of the pore.
Publication Name: Journal of Physical Chemistry B
Subject: Chemicals, plastics and rubber industries
ISSN: 1520-6106
Year: 2007
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