Perturbation theory for the free energy of two-center-Lennard-Jones liquids
- 15 May 1980
- journal article
- research article
- Published by AIP Publishing in The Journal of Chemical Physics
- Vol. 72 (10) , 5371-5377
- https://doi.org/10.1063/1.439011
Abstract
Recently a perturbation theory for molecular liquids using hard dumbbells as reference system was suggested by Kohler et al. Here, with a somewhat modified approach, it is shown that this type of perturbation theory yields a nearly accurate equation of state even for the most anisotropic two‐center‐Lennard‐Jones molecules, for which simulation results have been reported. In addition to that, an investigation of the different approximations in this approach is given.Keywords
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