Adsorption of water vapour on montmorillonite: Grand Canonical Ensemble Monte Carlo simulations
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| Authors: | A. Delville1, S. Sokołowski2, E. Kozak3, Z. Sokołowska3 1Centre de Recherche sur la Matiere Divisee, CNRS, 45071 Orleans Cedex 02, France 2HLRZ-KFA Jülich, 5170 Jülich, Germany 3Institute of Ągrophysics, Polish Academy of Sciences, Doświadczalna 4,20-236 Lublin, Poland |
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| Abstract : | Abstract. The Grand Canonical Ensemble Monte Carlo simulation method is applied to study adsorption of water vapour on extemal 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 | ||||||||
| Language : | English | ||||||||
