Research Article
Temperature Dependence Study of Water Dynamics in Fluorohectorite Clays Using Molecular Dynamics Simulations
Table 5
Region-specific lateral (2D) diffusivity (
) of interlayer cations and water through our model synthetic clays.
| T (K) | | | | | | | | |
| 293 | 0.39 0.02 | 1.68 0.14 | 0.50 0.01 | 1.86 0.03 | 0.27 0.01 | 2.32 0.13 | 0.15 0.07 | 1.92 0.02 | 300 | 0.71 0.08 | 1.75 0.27 | 0.73 0.12 | 1.80 0.10 | 0.42 0.10 | 2.83 0.11 | 0.17 0.12 | 2.28 0.26 | 323 | 1.03 0.05 | 2.72 0.06 | 1.01 0.28 | 2.49 0.09 | 0.42 0.18 | 3.49 0.29 | 0.15 0.02 | 2.28 0.26 | 350 | 0.31 0.03 | 4.46 0.10 | 0.64 0.33 | 4.30 0.26 | 1.01 0.12 | 3.68 0.16 | 1.34 0.10 | 3.88 0.33 |
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