Novel Methodology for Analysis and Evaluation of SAFT-Type Equations of State

The current study demonstrates that the pure-component critical temperatures generated by SAFT-type equations of state (EoS) are independent of the hard-core diameter (σ). This remarkable feature leads to the development of a simple tool, called a global map, for a comprehensive investigation of the...

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Bibliographic Details
Published in:Industrial & engineering chemistry research 2013-09, Vol.52 (38), p.13875-13885
Main Authors: Polishuk, Ilya, Privat, Romain, Jaubert, Jean-Noël
Format: Article
Language:English
Subjects:
Ambient temperature
Chemical Sciences
Constants
Critical temperature
Equations of state
Isotherms
Mathematical models
Segments
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Summary:The current study demonstrates that the pure-component critical temperatures generated by SAFT-type equations of state (EoS) are independent of the hard-core diameter (σ). This remarkable feature leads to the development of a simple tool, called a global map, for a comprehensive investigation of the sophisticated SAFT-models under consideration. Practically, a net of critical isotherms in the m (chain length), u°/k or ε/k (segment energy parameter) plane is plotted not only for the ordinary but also for the additional unrealistic critical temperatures. Such a map makes it possible to check whether unrealistic phase equilibria will be predicted by the considered SAFT model. In addition, the present study points out that the numerical pitfalls encountered at ambient temperature with the CK-SAFT and the PC-SAFT EoS can be eliminated by refitting the values of the universal constants.
ISSN:0888-5885
1520-5045
DOI:10.1021/ie4020155