The self-diffusion coefficient of water in ferrierite at an average density of 6.6 molecules per unit cell and at 298K was deduced from a molecular dynamics simulation and the Einstein relation. The estimated value of the self-diffusion coefficient was 0.5 x 10-5cm2/s, and agreed with experimental results.
Determination of the Self-Diffusion Coefficient of Water in Ferrierite by Molecular Dynamics. L.Leherte, G.C.Lie, K.N.Swamy, E.Clementi, E.G.Derouane, J.M.André: Chemical Physics Letters, 1988, 145[3], 237-41
Table 20
Diffusion of n-Hexane in Ferrierite and Pentasil Zeolites
Zeolite | Temperature(C) | D(cm2/s) |
ferrierite | 373 | 1.5 x 10-12 |
ferrierite | 413 | 3.1 x 10-12 |
ferrierite | 453 | 9.6 x 10-12 |
silicalite-T | 323 | 7.9 x 10-9 |
silicalite-T | 373 | 1.5 x 10-8 |
silicalite-T | 423 | 1.4 x 10-8 |
silicalite-T | 473 | 5.8 x 10-8 |
silicalite-S | 323 | 1.9 x 10-9 |
silicalite-S | 373 | 6.8 x 10-9 |