Abstract
The self-diffusion coefficient D of water in ferrierite at an average density of 6.6 molecules per unit cell and 298 K has been computed from a molecular dynamics simulation and the Einstein relation. The estimated value of D is 0.5 × 10 cm s and agrees with experimental results.
| Original language | English |
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| Pages (from-to) | 237-241 |
| Number of pages | 5 |
| Journal | Chemical Physics Letters |
| Volume | 145 |
| Issue number | 3 |
| Publication status | Published - 1 Apr 1988 |