A thermodynamic perturbation theory for non-linear multicentre Lennard-Jones molecules with an anisotropic reference system
- 10 October 1986
- journal article
- research article
- Published by Taylor & Francis in Molecular Physics
- Vol. 59 (2) , 173-194
- https://doi.org/10.1080/00268978600102001
Abstract
A thermodynamic perturbation theory of Weeks-Chandler-Andersen (WCA) type for non-linear model molecules is presented. The interaction potential is the n-centre Lennard-Jones potential. The structure of the system is obtained via the Percus-Yevick equation. The anisotropic reference system is represented by hard fused sphere bodies (HFSB) using the Boublík-Nezbeda equation of state (EOS). In this paper the theory is applied to non-linear three-centre Lennard-Jones molecules and compared to experimental data of liquid propane and cyclopropane.Keywords
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