Abstract
A new equation of state (EOS) is proposed for the Helmholzt energyF of two-center Lennard-Jones fluids. The EOS is written in the form of a generalized van der Waals equation,F=F H +F A , whereF H accounts for the hard-body interaction andF A for the attractive dispersion forces. The equation is constructed on the basis of previously published data sets and results from new extensive computer simulation studies. It correlates pressures and internal energies over a wide fluid range for two-center model fluids with elongations up to 0.67 in reduced units with a high accuracy and shows an excellent description of the vapor-liquid coexistence properties. Comparisons of results from the new EOS with other data sets and recently published VLE from the NpT plus test particle method show very good agreement.
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Mecke, M., Müller, A., Winkelmann, J. et al. An equation of state for two-center Lennard-Jones fluids. Int J Thermophys 18, 683–698 (1997). https://doi.org/10.1007/BF02575128
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DOI: https://doi.org/10.1007/BF02575128