Normal mode theory of diffusion in liquids for a broad temperature range
- 8 December 1995
- journal article
- research article
- Published by AIP Publishing in The Journal of Chemical Physics
- Vol. 103 (22) , 9810-9812
- https://doi.org/10.1063/1.469947
Abstract
A theory based upon normal mode analysis (NMA) is used to calculate the self-diffusion constant, D, in the unit density Lennard-Jones liquid. The theory, which uses no adjustable parameters, is in good agreement with computer simulation over the reduced temperature range 20≥T≥0.42. Thus NMA appears applicable to systems besides the cold liquids for which it was originally proposed.Keywords
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