``Improved'' Free‐Volume Theory of Liquids. V. Worm Model Calculations for the 12–6 Potential
- 1 April 1965
- journal article
- research article
- Published by AIP Publishing in The Journal of Chemical Physics
- Vol. 42 (7) , 2374-2382
- https://doi.org/10.1063/1.1696303
Abstract
The worm or super‐cell model has been used to estimate the equilibrium properties of a fluid whose molecules interact according to the Lennard‐Jones 12–6 potential. The integral equation for the radial part of the cell‐cluster distribution function has been solved by an iterative method. Values of the configurational energy, configurational entropy, and of the compressibility factor are tabulated for a wide range of temperatures and densities. The results are compared with those of other theoretical studies. The calculated values of pressure, internal energy, and entropy agree remarkably well with the available experimental data.Keywords
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