2002/10/01 by Joachim Groß, Gabriele Sadowski · 2 citations
Engineering · Chemical Engineering · Chemistry · #Phase Equilibria and Thermodynamics #Thermodynamic properties of mixtures #Chemical Thermodynamics and Molecular Structure
paper · doi:10.1021/ie010954d
openalex publication_date 2002/10/01 · openalex created_date 2025/10/10 · openalex updated_date 2026/08/01
The perturbed-chain SAFT (PC−SAFT) equation of state is applied to pure associating components as well as to vapor−liquid and liquid−liquid equilibria of binary mixtures of associating substances. For these substances, the PC−SAFT equation of state requires five pure-component parameters, two of which characterize the association. The pure-component parameters were identified for 18 associating substances by correlating vapor pressure and liquid density data. A comparison to an earlier version of SAFT confirms the good results for pure substances. When only one associating compound is present in a mixture, the PC−SAFT equation of state does not require mixing rules for the association term. Using one binary interaction parameter k ij for the dispersion term only, the model was applied to azeotropic and nonazeotropic vapor−liquid equilibria at low and at high pressures, as well as to liquid−liquid equilibria. Simple mixing and combining rules were adopted for mixtures with more than one associating compound, introducing no additional binary interaction parameter. The simultaneous description of liquid−liquid and vapor−liquid equilibrium was also possible with a single k ij parameter.