Modeling Phase Equilibria of Asymmetric Mixtures Using a Group-Contribution SAFT (GC-SAFT) with a k ij Correlation Method Based on Londonʼs Theory. 2. Application to Binary Mixtures Containing Aromatic Hydrocarbons, n-Alkanes, CO2, N2, and H2S

• Published in: Industrial & engineering chemistry research 2008-11, Vol.47 (22), p.8859-8868
• Main Authors: Nguyen-Huynh, Dong, Tran, T. K. S, Tamouza, S, Passarello, J.-P, Tobaly, P, de Hemptinne, J.-C
• Format: Article
• Language: English
• Subjects: General Research
• ISSN: 0888-5885; 1520-5045
• DOI: 10.1021/ie071644j

A group-contribution statistical associating fluid theory equation of state (GC-SAFT EOS) that was proposed by Tamouza et al. [Tamouza et al. Fluid Phase Equilib. 2004, 222−223, 67−76], which was extended in the first part in this series of papers to the asymmetric systems CO2 + n-alkane, methane + n-alkane, and ethane + n-alkane, is further tested here on binary mixtures that contain aromatic hydrocarbons, n-alkanes, CO2, N2, and H2S. The method for correlating the binary interaction parameters (k ij ), which is inspired by Londonʼs theory of dispersive interactions, uses only pure compound adjustable parameters (“pseudo-ionization energies” of compounds i and j, denoted as J i and J j ). A group contribution for the latter parameters also is used for n-alkane and alkyl benzene series. Numerous prediction tests on the aforementioned cited systems were performed in a systematic and comprehensive way. Predictions are both qualitatively and quantitatively satisfactory, within deviations (4%−5%) that are comparable to those obtained on previously investigated systems (n-alkane + n-alkane, n-alkane + aromatic, n-alkane + n-alkanol).