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The relation between the self-diffusion coefficient and the molecular mobility in water

✍ Scribed by I. Z. Fisher

Publisher
SP MAIK Nauka/Interperiodica
Year
1962
Tongue
English
Weight
131 KB
Volume
3
Category
Article
ISSN
0022-4766

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πŸ“œ SIMILAR VOLUMES

Determination of the self-diffusion coef
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. AndrΓ© πŸ“‚ Article πŸ“… 1988 πŸ› Elsevier Science 🌐 English βš– 420 KB

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 x 10mJ cm's\_ ' and agrees with experimental results.

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By inems of 2 moiecul~ dynemic d method the s=lfdXfusion coelficient of gseous systems hzve been c;i!cul~ted at densities below the critic& it has been four,d thei the artrzctive pxt of tie ilXCiZlOICcUls~ potcr+I !lZS 2 EZ2rk&!e ii!fluence on the density dependence of diffution. h:oreowr, sho;t-tim