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| International Agrophysics |
| publisher: | Institute of Agrophysics
Polish Academy of Sciences
Lublin, Poland |
| ISSN: |
0236-8722 |
vol. 9, nr. 1 (1995)
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Adsorption of water vapour on montmorillonite: grand canonical ensemble monte carlo simulations
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A. Delville1, S. Sokołowski2, E. Kozak3, Z. Sokołowska3
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1 Centre de Recherche sur la Matiere Divisee, CNRS, 45071 Orleans Cedex 02, France |
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2 HLRZ-KFA Julich, 5170 Julich, Germany |
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3 Institute of Agrophysics, Polish Academy of Sciences, Doświadczalna 4, 20-236 Lublin, Poland |
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vol. 9 (1995), nr. 1,
pp. 67-73
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abstract
The Grand Canonical Ensemble Monte Carlo simulation method is applied to study adsorption of water vapour on external and internal surfaces of sodium montmorillonite. The model uses MINDO water-clay and cation-clay potentials and empirical water-water and water-cation potentials. The results of investigations of thermodynamic and structural properties of adsorbed water are reported.
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keywords
water vapour, montmorillonite, Grand Canonical Ensemble Monte Carlo simulation
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