Research Article
Temperature Dependence Study of Water Dynamics in Fluorohectorite Clays Using Molecular Dynamics Simulations
Table 4
Region-specific 3D diffusivity (
) of interlayer cation and water through our model synthetic clays.
| T (K) | | | | | | | | |
| 293 | 0.26 0.01 | 1.12 0.09 | 0.34 0.01 | 1.06 0.02 | 0.19 0.01 | 1.55 0.08 | 0.11 0.05 | 1.28 0.01 | 300 | 0.48 0.06 | 1.17 0.18 | 0.49 0.07 | 1.20 0.06 | 0.29 0.06 | 1.88 0.07 | 0.13 0.09 | 1.52 0.18 | 323 | 0.69 0.03 | 1.82 0.04 | 0.68 0.18 | 1.67 0.06 | 0.29 0.15 | 2.33 0.19 | 0.11 0.01 | 2.42 0.09 | 350 | 0.91 0.07 | 2.59 0.22 | 0.68 0.08 | 2.45 0.10 | 0.43 0.23 | 2.87 0.17 | 0.22 0.01 | 2.97 0.08 |
|
|