Modeling Thermodynamic Properties of Mixtures of CO2 + O2 in the Allam Cycle by Equations of State

Different equations of state (EOS) were applied for describing thermodynamic properties of the system CO 2 + O 2 , which is important for the Allam cycle: cubic EOS (Soave–Redlich–Kwong, Peng–Robinson), molecular-based EOS (PC-SAFT, PCP-SAFT, SAFT-VR Mie, polar soft-SAFT, BACKONE, sCPA), and multipa...

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Bibliographic Details
Published in:International journal of thermophysics 2023-12, Vol.44 (12), Article 182
Main Authors: Staubach, Jens, Schwarz, Gerhard, Möbius, Stephan, Hasse, Hans, Stephan, Simon
Format: Article
Language:English
Subjects:
Carbon dioxide
Classical Mechanics
Condensed Matter Physics
Equations of state
Geophysics
Industrial Chemistry/Chemical Engineering
Interaction parameters
Mathematical models
Mixtures
Performance prediction
Physical Chemistry
Physics
Physics and Astronomy
Thermodynamic properties
Thermodynamics
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Summary:Different equations of state (EOS) were applied for describing thermodynamic properties of the system CO 2 + O 2 , which is important for the Allam cycle: cubic EOS (Soave–Redlich–Kwong, Peng–Robinson), molecular-based EOS (PC-SAFT, PCP-SAFT, SAFT-VR Mie, polar soft-SAFT, BACKONE, sCPA), and multiparameter EOS (GERG-2008, EOS-CG). The pure component models were taken from the literature. The results for the mixture were compared to experimental data from the literature for two cases: (i) the thermodynamic properties of the mixture were modeled using predictive mixing and combination rules; (ii) additional binary interaction parameters were fitted to experimental data for improving the performance. In the predictive mode (i), the best results were obtained with molecular-based EOS. In the adjusted mode (ii) the best results were obtained with the multi-parameter GERG-2008 EOS and EOS-CG.
ISSN:0195-928X
1572-9567
DOI:10.1007/s10765-023-03297-w