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  • 1
    Electronic Resource
    Electronic Resource
    Springer
    International journal of thermophysics 8 (1987), S. 449-471 
    ISSN: 1572-9567
    Keywords: conformal solution theory ; equation of state ; mixing rules ; mixtures ; retrograde condensation ; statistical mechanics ; supercritical fluid extraction
    Source: Springer Online Journal Archives 1860-2000
    Topics: Physics
    Notes: Abstract The phenomena of supercritical fluid extraction (SFE) and its reverse effect, which is known as retrograde condensation (RC), have found new and important applications in industrial separation of chemical compounds and recovery and processing of natural products and fossil fuels. Full-scale industrial utilization of SFE/RC processes requires knowledge about thermodynamic and transport characteristics of the asymmetric mixtures involved and the development of predictive modeling and correlation techniques for performance of the SFE/RC system under consideration. In this report, through the application of statistical mechanical techniques, the reasons for the lack of accuracy of existing predictive approaches are described and they are improved. It is demonstrated that these techniques also allow us to study the effect of mixed supercritical solvents on the solubility of heavy solutes (solids) at different compositions of the solvents, pressures, and temperatures. Fluid phase equilibrium algorithms based on the conformal solution van der Waals mixing rules and different equations of state are presented for the prediction of solubilities of heavy liquid in supercritical gases. It is shown that the Peng-Robinson equation of state based on conformal solution theory can predict solubilites of heavy liquid in supercritical gases more accurately than the van der Waals and Redlich-Kwong equations of state.
    Type of Medium: Electronic Resource
    Library Location Call Number Volume/Issue/Year Availability
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  • 2
    Electronic Resource
    Electronic Resource
    Springer
    International journal of thermophysics 19 (1998), S. 1447-1471 
    ISSN: 1572-9567
    Keywords: Kihara energy function ; radial distribution function ; water ; supercritical fluid
    Source: Springer Online Journal Archives 1860-2000
    Topics: Physics
    Notes: Abstract A theoretical and analytic expression for the first shell, and an analytic empirical expression for the whole radial distribution function (RDF) of water are introduced. All the asymptotic limits and functionalities of the RDF with temperature and density are incorporated in these expressions. An effective Kihara pair potential function is presented for water intermolecular interactions which incorporates the hydrogen bonding by using the chain association theory. The intermolecular pair potential parameters are adjusted to the experimental x-ray diffraction data of water RDF at various temperatures. The predicted first-shell results for water near critical and in supercritical conditions compare satisfactorily with the available neutron diffraction RDF data, with the simulation RDF results, and with the empirical RDF curves. The empirical expression initially proposed for the RDF of the Lennard–Jones fluid is extended to predict the RDF and the isothermal compressibility of water to conditions where experimental or simulated data are not available. Comparison with the Lennard–Jones fluid shows that the height of the first peak of water RDF changes much less at subcritical and supercritical conditions compared to that of the Lennard–Jones fluid which decreases appreciably going from subcritical to supercritical conditions.
    Type of Medium: Electronic Resource
    Library Location Call Number Volume/Issue/Year Availability
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