[article] in Industrial & engineering chemistry research > Vol. 47 n°22 (Novembre 2008) . - p. 8859–8868 | Titre : | Modeling Phase Equilibria of Asymmetric Mixtures Using a Group-Contribution SAFT (GC-SAFT) with a kij Correlation Method Based on Londonʼs Theory. 2. Application to Binary Mixtures Containing Aromatic Hydrocarbons, n-Alkanes, CO2, N2, and H2S | | Type de document : | texte imprimé | | Auteurs : | Dong Nguyen-Huynh, Auteur ; T. K. S. Tran, Auteur ; S. Tamouza, Auteur ; Jean-Philippe Passarello, Auteur | | Année de publication : | 2008 | | Article en page(s) : | p. 8859–8868 | | Note générale : | Industrial chemistry | | Langues : | Anglais (eng) | | Mots-clés : | SAFT (GC-SAFT) kij Correlation Hydrocarbons n-Alkanes CO2 N2 H2S | | Résumé : | 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 (kij), 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 Ji and Jj). 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). | | En ligne : | http://pubs.acs.org/doi/abs/10.1021/ie071644j |
[article] Modeling Phase Equilibria of Asymmetric Mixtures Using a Group-Contribution SAFT (GC-SAFT) with a kij Correlation Method Based on Londonʼs Theory. 2. Application to Binary Mixtures Containing Aromatic Hydrocarbons, n-Alkanes, CO2, N2, and H2S [texte imprimé] / Dong Nguyen-Huynh, Auteur ; T. K. S. Tran, Auteur ; S. Tamouza, Auteur ; Jean-Philippe Passarello, Auteur . - 2008 . - p. 8859–8868. Industrial chemistry Langues : Anglais ( eng) in Industrial & engineering chemistry research > Vol. 47 n°22 (Novembre 2008) . - p. 8859–8868 | Mots-clés : | SAFT (GC-SAFT) kij Correlation Hydrocarbons n-Alkanes CO2 N2 H2S | | Résumé : | 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 (kij), 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 Ji and Jj). 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). | | En ligne : | http://pubs.acs.org/doi/abs/10.1021/ie071644j |
|
Affiner la rechercheModeling Phase Equilibria of Asymmetric Mixtures Using a Group-Contribution SAFT (GC-SAFT) with a kij Correlation Method Based on Londonʼs Theory. 2. Application to Binary Mixtures Containing Aromatic Hydrocarbons, n-Alkanes, CO2, N2, and H2S / Dong Nguyen-Huynh ; T. K. S. Tran ; S. Tamouza ; Jean-Philippe Passarello in Industrial & engineering chemistry research, Vol. 47 n°22 (Novembre 2008)
