Adsorption of water vapour on montmorillonite: grand canonical ensemble monte carlo simulations
1
Centre de Recherche sur la Matiere Divisee, CNRS, 45071 Orleans Cedex 02, France
2
HLRZ-KFA Julich, 5170 Julich, Germany
3
Institute of Agrophysics, Polish Academy of Sciences, Doświadczalna 4, 20-236 Lublin, Poland
Int. Agrophys. 1995, 9(1): 67-73
KEYWORDS
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.
| eISSN: | 2300-8725 |
| ISSN: | 0236-8722 |
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