BNJS-LJ

Boublík–Nezbeda + Jacobsen–Stewart – 2-center Lennard-Jones 12/6

This noncubic EOS describes the behaviour of a fluid consisting of homonuclear 2-center Lennard-Jones molecules. It consists of a hard-convex-body repulsion term with a temperature-dependent collision diameter and an empirical attraction term of the Jacobsen–Stewart type. Its numerous coefficients have been fitted to computer simulation data.

Below 0.5 Tc the isotherms show additional extrema inside the two-phase region.

The first version of this EOS was published in 1997 and 1998. It covered a range of reduced elongations (l/sigma) of 0–0.67 . The new version of 2004 can be used for elongations up to 1.0 .

adjustable parameters: 3 (molar mass [g/mol], potential well depth [K], characteristic volume of a site (= N_A sigma^3) [cm^3/mol]

[1] M. Mecke, A. Müller, J. Winkelmann, J. Fischer, Int. J. Thermophys. 18 (1997) 683–698.

[2] M. Mecke, A. Müller, J. Winkelmann, J. Fischer, Int. J. Thermophys. 19 (1998) 1495.

[3] M. Lísal, K. Aim, M. Mecke, J. Fischer, Int. J. Thermophys. 25 (2004) 159–173.


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