Implementation of GC-PPC-SAFT and CP-PC-SAFT for predicting thermodynamic properties of mixtures of weakly- and non-associated oxygenated compounds

• CP-PC-SAFT is more accurate for sound velocities and compressibilities.
• GC-PPC-SAFT has slight superiority in estimating single phase densities.
• CP-PC-SAFT is a better estimator of phase equilibria in asymmetric systems.
• GC-PPC-SAFT is advantageous in the case of symmetric systems.

This study continues a comprehensive comparison between the Critical Point-based Modified PC-SAFT (CP-PC-SAFT) and the Group Contribution Polar PC-SAFT (GC-PPC-SAFT). The predictive values of these approaches are enhanced by reducing their referring to the experimental pure compound data. The mixtures comprising aromatic and aliphatic alkanols, esters, ethers and ketones have been treated in the entirely predictive manner, without adjusting any binary parameters. The results indicate that both models under consideration are particularly accurate estimators of single phase liquid densities at high pressures, usually with slight superiority of GC-PPC-SAFT. Nevertheless the universality of CP-PC-SAFT could be considered as more advanced since this model yields accurate predictions also for sound velocities and compressibilities. In addition, the results indicate that GC-PPC-SAFT is often a superior estimator of phase equilibria in symmetric systems. At the same time, CP-PC-SAFT typically has a clear advantage in predicting the global phase behavior of asymmetric systems.

Figure optionsDownload as PowerPoint slide