International Journal of Thermophysics

, Volume 17, Issue 2, pp 391–404

An accurate Van der Waals-type equation of state for the Lennard-Jones fluid

  • M. Mecke
  • A. Müller
  • J. Winkelmann
  • J. Vrabec
  • J. Fischer
  • R. Span
  • W. Wagner
Article

DOI: 10.1007/BF01443399

Cite this article as:
Mecke, M., Müller, A., Winkelmann, J. et al. Int J Thermophys (1996) 17: 391. doi:10.1007/BF01443399

Abstract

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%.

Key words

coexistence curve equation of state Lennard Jones fluid thermodynamic properties 

Copyright information

© Publishing Corporation 1996

Authors and Affiliations

  • M. Mecke
    • 1
  • A. Müller
    • 1
  • J. Winkelmann
    • 1
  • J. Vrabec
    • 2
  • J. Fischer
    • 3
  • R. Span
    • 2
  • W. Wagner
    • 2
  1. 1.Institut für Physikalische ChemieUnisersität Halle-WittenbergMerseburgGermany
  2. 2.Institut für Thermo- und FluiddynamikRuhr-UniversitätBochumGermany
  3. 3.Institut für Land-, Umwelt- und EnergietechnikUniversität für BodenkulturWienAustria