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.
|Number of pages||5|
|Journal||Chemical Physics Letters|
|Publication status||Published - 1 Apr 1988|