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Revised Equation of State for Two-Center Lennard-Jones Fluids

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Abstract

The equation of state for two-center Lennard-Jones fluids originally proposed by Mecke et al. [Int. J. Thermophys. 18:683–698 (1997); Erratum, Int. J. Thermophys. 19:1495 (1998)] has been revised to extend its applicability to large molecular elongations. The equation of state is written in the form of a generalized augmented van der Waals equation for the Helmholtz energy, F=F H +F A , where F H accounts for the hard-body interaction and F A for the attractive dispersion forces. The revised EOS is constructed on the basis of previously published simulation data for 2CLJ fluids with reduced elongations L=0.0, 0.22, 0.3292, 0.505, and 0.67 and results from new extensive simulations for two-center Lennard-Jones fluids with L=0.8 and 1.0. The revised equation of state provides a very good description of the fluid state behavior over a wide range of temperatures and pressures as well as of the vapor-liquid equilibrium phase behavior for the two-center Lennard-Jones fluids with L ranging from 0.0 to 1.0.

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Authors and Affiliations

  1. E. Hála Laboratory of Thermodynamics, Institute of Chemical Process Fundamentals, Academy of Sciences of the Czech Republic, 165 02, Prague 6, Czech Republic

    M. Lísal & K. Aim

  2. Department of Physics, J. E. Purkyně University, 400 96, Uacute;stí n. Lab., Czech Republic

    M. Lísal

  3. Institut für Land-, Umwelt-, und Energietechnik, Universität für Bodenkultur, A-1190, Wien, Austria

    M. Mecke & J. Fischer

Authors
  1. M. Lísal
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  2. K. Aim
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  3. M. Mecke
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  4. J. Fischer
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Correspondence to K. Aim.

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Lísal, M., Aim, K., Mecke, M. et al. Revised Equation of State for Two-Center Lennard-Jones Fluids. International Journal of Thermophysics 25, 159–173 (2004). https://doi.org/10.1023/B:IJOT.0000022332.12319.06

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  • DOI: https://doi.org/10.1023/B:IJOT.0000022332.12319.06

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