Statistical determination of the coefficient of self-diffusion in a monatomic molecular crystal
✍ Scribed by É. T. Bruk-Levinson; O. D. Chernetsov
- Publisher
- Springer US
- Year
- 1985
- Tongue
- English
- Weight
- 545 KB
- Volume
- 48
- Category
- Article
- ISSN
- 1573-871X
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📜 SIMILAR VOLUMES
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.
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