Lennard-Jones equation of state

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The equation of state of the Lennard-Jones model.

Johnson, Zollweg and Gubbins equation of state

Johnson et al [1] proposed an equation of state based on 33 parameters, which accurately reproduces the vapor liquid equilibrium curve.

Kolafa and Nezbeda equation of state

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.

Melting line

The solid and liquid densities along the melting line are given by the equations of Mastny and de Pablo (Ref [3] Eqs. 20 and 21):

and


References

Related reading

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