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  • 1
    ISSN: 1572-9567
    Keywords: correlation ; corresponding-states ; inversion curve ; Joule–Thomson
    Source: Springer Online Journal Archives 1860-2000
    Topics: Physics
    Notes: Abstract In the present work, the Lee–Kesler (LK) and Boublík–Alder–Chen–Kreglewski (BACK) equations of state were used to compute Joule–Thomson inversion curves for nonsimple fluids. Comparisons with available data showed that predictions were quite reliable and could be used in place of experimental values. Two sets of corresponding-states correlations were developed, giving reduced inversion pressures and densities as functions of reduced temperature and acentric factor. The LK-based correlations are valid for T r≤4.0, giving an average absolute deviation (AAD) of 4.5% for pressures. The BACK-based correlations are valid up to the maximum inversion temperature and give a 6.7% AAD for pressures. Respective volume AADs are 12.0 and 8.0% in the high-density region.
    Type of Medium: Electronic Resource
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  • 2
    ISSN: 1572-9567
    Keywords: Joule–Thomson inversion curves ; Lennard–Jones fluid ; molecular simulations ; Monte Carlo
    Source: Springer Online Journal Archives 1860-2000
    Topics: Physics
    Notes: Abstract A method to determine Joule–Thomson inversion curves, using isobaric-isothermal Monte Carlo molecular simulations, is presented. The usual experimental practice to obtain the locus of points in which the isenthalpic derivative of temperature with respect to pressure vanishes is to process volumetric data by means of thermodynamic relations. This experimental procedure requires the very precise measurement of volumetric properties at conditions up to five times the fluid's critical temperature and twelve times its critical pressure. These harsh experimental conditions have hindered the publication of data for even simple fluids and mixtures. By using molecular simulation, these problems may be circumvented, since the computational effort is roughly independent of the actual value of the pressure or the temperature. In general, Joule–Thomson inversion curves obtained by molecular simulation may be used either as an unambiguous test for equations of state in the supercritical and high-pressure regions or for the prediction of real fluid behavior, should the potential be well known. Both applications are exemplified for a Lennard-Jones fluid for which the complete inversion curve is obtained.
    Type of Medium: Electronic Resource
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