Research Article
A Simulation Study on the Swelling and Shrinking Behaviors of Nanosized Montmorillonite Based on Monte Carlo and Molecular Dynamics
Table 1
The parameters of Mnt with different numbers of water molecules between layers.
| Parameters | The number of water molecules | 16 | 32 | 64 | 96 | 128 | 149 | 166 | 183 | 199 | 216 | 232 |
| The number of hydrated layers | 1 | 1 | 1 | 2 | 3 | 3 | 3 | 3 | 3 | 4 | 4 | Initial value (Å) | 12.5 | 12.5 | 12.5 | 15.5 | 18.5 | 18.5 | 18.5 | 18.5 | 18.5 | 21.5 | 21.5 | Initial water content (%) | 5 | 10 | 20 | 30 | 40 | 45 | 50 | 55 | 60 | 65 | 70 |
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