Lennard-Jones equation of state

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The equation of state of the Lennard-Jones model.

Johnson, Zollweg and Gubbins

Johnson et al [1] proposed an equation of state based on 33 parameters within a modified Benedict, Webb and Rubin equation of state, which accurately reproduces the vapor liquid equilibrium curve.

Kolafa and Nezbeda

The Kolafa and Nezbeda equation of state [2] provides us with the Helmholtz energy function: (Eq. 30):

the compressibility factor (Eq. 31)

and the internal energy (Eq. 32)

On the following page is the FORTRAN code for the Kolafa and Nezbeda equation of state.

Ree

The Ree equation of state [3] is an extension of the earlier work of Hansen [4] in the high temperature region.

Boltachev and Baidakov

Boltachev and Baidakov have paid particular attention to including data from the metastable region [5].

Melting line

The solid and liquid densities along the melting line are given by the following equations

van der Hoef

van der Hoef (Ref. [6] Eqs. 25 and 26):

and

Mastny and de Pablo

Mastny and de Pablo (Ref [7] Eqs. 20 and 21):

and

References

Related reading

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