Effect of the Power Series Dispersion Term on the Pressure−Volume Behavior of Statistical Associating Fluid Theory

It is shown that the statistical associating fluid theory (SAFT) equation of state with the power series dispersion term can have multiple volume roots at a specified pressure and temperature. Examples considered are based on published correlations for the nonassociating pure components methane and...

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Bibliographic Details
Published in:Industrial & engineering chemistry research 1999-04, Vol.38 (4), p.1718-1722
Main Authors: Koak, Naveen, de Loos, Theo W, Heidemann, Robert A
Format: Article
Language:English
Subjects:
Applied sciences
Chemical thermodynamics
Chemistry
Exact sciences and technology
General and physical chemistry
General. Theory
Organic polymers
Physicochemistry of polymers
Properties and characterization
Thermal and thermodynamic properties
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Summary:It is shown that the statistical associating fluid theory (SAFT) equation of state with the power series dispersion term can have multiple volume roots at a specified pressure and temperature. Examples considered are based on published correlations for the nonassociating pure components methane and poly(ethylene−propylene) 790 (PEP790). Conditions have been found where two of the five volume roots (one mechanically stable and one unstable) occur at reduced densities greater than theoretical close packing and the equation of state has a large negative pressure in the nominal close-packed state. The SAFT fluid can have the least chemical potential at the smallest volume root, which appears not to have been considered in the correlation of the methane and PEP790 behavior.
ISSN:0888-5885
1520-5045
DOI:10.1021/ie9804069