Molecular Simulation on Modification of Structure and Thermodynamic Properties of Montmorillonite

Abstract:

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Modification of structure and thermodynamic properties of montmorillonite is studied by molecular dynamics simulation. The simulation results show that the pure montmorillonite system is unstable in nature, while the structure of doping-modified montmorillonite is more stable. In simulation process, the activity between the molecule and impurity ions maintains strong synergistic effect, and the configuration of the analog system is energetically most stable.

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Periodical:

Edited by:

Ran Chen

Pages:

2529-2533

DOI:

10.4028/www.scientific.net/AMM.44-47.2529

Citation:

W. Dai et al., "Molecular Simulation on Modification of Structure and Thermodynamic Properties of Montmorillonite", Applied Mechanics and Materials, Vols. 44-47, pp. 2529-2533, 2011

Online since:

December 2010

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Price:

$35.00

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