An accurate Van der Waals-type equation of state for the Lennard-Jones fluid
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- Mecke, M., Müller, A., Winkelmann, J. et al. Int J Thermophys (1996) 17: 391. doi:10.1007/BF01443399
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A new equation of state (EOS) is proposed for the Helmholtz energyF of the Lennard Jones fluid which represents the thermodynamic properties over a wide range of temperatures and densities. The EOS is written in the form of a generalized van der Waals equation.F =Fu +Fv. WhereFu is a hard body contribution andFA an anttractive dispersion force contribution. The expression forFH is closely related to the hybrid Barker Henderson pertubation theory. The construction ofFA is accomplished with the Setzmann Wagner optimization procedure on the basis of virial coefficients and critically assessed computer simulation data. A comparison with the EOS of Johnson et al. shows improvement in the description of the vapor liquid coexistence properties, thepvT data. and in peculiar, of the calorie properties. A comparison with the EOS of Kolafa and Nezbeda which appeared after the bulk of this work was finished shows still by about 30%.