Structure of Simple Fluids: Tunnel Model
- 1 September 1962
- journal article
- research article
- Published by AIP Publishing in The Journal of Chemical Physics
- Vol. 37 (5) , 1061-1066
- https://doi.org/10.1063/1.1733212
Abstract
The radial distribution function for a liquid composed of molecules interacting according to the Lennard‐Jones 12–6 potential is calculated using a ``tunnel'' model of the structure. According to this model the liquid is pictured as being built up of lines of molecules distributed independently and almost one‐dimensionally in tunnels or fine capillaries of which the walls are formed by neighboring lines of molecules. The calculated distribution function is compared with the experimental distribution function for liquid argon derived from diffraction measurements. The agreement is excellent with regard to the first peak of the distribution function and qualitatively satisfactory at greater distances. A similar comparison is made for a distribution function based on the cell model of Lennard‐Jones and Devonshire. The agreement is much less satisfactory, in accordance with the view derived from thermodynamic evidence that the cell model is properly to be regarded as a model for crystals rather than liquids.Keywords
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