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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 / Dong Nguyen-Huynh ; T. K. S. Tran ; S. Tamouza ; Jean-Philippe Passarello in Industrial & engineering chemistry research, Vol. 47 n°22 (Novembre 2008) 

Public ISBD [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

Modeling phase equilibria of asymmetric mixtures using a group-contribution SAFT (GC-SAFT) with a kij correlation method based on London’s theory. 1. application to CO2 + n-Alkane, Methane + n-Alkane, and Ethane + n-Alkane systems / Dong Nguyen-Huynh ; Jean-Philippe Passarello ; Pascal Tobaly in Industrial & engineering chemistry research, Vol. 47 n°22 (Novembre 2008) 

Public ISBD [article]  in Industrial & engineering chemistry research > Vol. 47 n°22 (Novembre 2008) . - p. 8847–8858 Titre : Modeling phase equilibria of asymmetric mixtures using a group-contribution SAFT (GC-SAFT) with a kij correlation method based on London’s theory. 1. application to CO2 + n-Alkane, Methane + n-Alkane, and Ethane + n-Alkane systems Type de document : texte imprimé Auteurs : Dong Nguyen-Huynh, Auteur ; Jean-Philippe Passarello, Auteur ; Pascal Tobaly, Auteur Année de publication : 2008 Article en page(s) : p. 8847–8858 Note générale : Industrial chemistry Langues : Anglais (eng) Mots-clés : SAFT  (GC-SAFT)  kij  Correlation  CO2  +  n-Alkane  Methane  +  n-Alkane  Ethane  +  n-Alkane Résumé : Here, a group contribution statistical associating fluid theory equation of state (SAFT EOS) (GC-SAFT) proposed earlier by our group (Tamouza et al., Fluid Phase Equilib. 2004, 222−223, 67−76) is extended to some asymmetric systems, using a method for correlating the kij binary parameters, using only pure compound parameters. The method is inspired by London’s theory of dispersive interactions and correlates the kij values to the “pseudo-ionization energies” of compounds i and j (denoted as Ji and Jj, respectively). A group contribution for the latter parameters is also proposed, in view of obtaining a more-predictive model. Correlation tests of phase equilibria are conducted on some CO2 + n-alkane systems. Using the parameters thus obtained, the phase envelopes of other CO2 + n-alkane systems, as well as methane + n-alkane and ethane + n-alkane systems, were fully predicted. Correlation and predictions are qualitatively and quantitatively satisfactory. The deviations are within 4%−5% (i.e., comparable to those obtained on previously investigated systems). En ligne : http://pubs.acs.org/doi/abs/10.1021/ie071643r [article] Modeling phase equilibria of asymmetric mixtures using a group-contribution SAFT (GC-SAFT) with a kij correlation method based on London’s theory. 1. application to CO2 + n-Alkane, Methane + n-Alkane, and Ethane + n-Alkane systems [texte imprimé] / Dong Nguyen-Huynh, Auteur ; Jean-Philippe Passarello, Auteur ; Pascal Tobaly, Auteur . - 2008 . - p. 8847–8858. Industrial chemistry Langues : Anglais (eng) in Industrial & engineering chemistry research > Vol. 47 n°22 (Novembre 2008) . - p. 8847–8858 Mots-clés : SAFT  (GC-SAFT)  kij  Correlation  CO2  +  n-Alkane  Methane  +  n-Alkane  Ethane  +  n-Alkane Résumé : Here, a group contribution statistical associating fluid theory equation of state (SAFT EOS) (GC-SAFT) proposed earlier by our group (Tamouza et al., Fluid Phase Equilib. 2004, 222−223, 67−76) is extended to some asymmetric systems, using a method for correlating the kij binary parameters, using only pure compound parameters. The method is inspired by London’s theory of dispersive interactions and correlates the kij values to the “pseudo-ionization energies” of compounds i and j (denoted as Ji and Jj, respectively). A group contribution for the latter parameters is also proposed, in view of obtaining a more-predictive model. Correlation tests of phase equilibria are conducted on some CO2 + n-alkane systems. Using the parameters thus obtained, the phase envelopes of other CO2 + n-alkane systems, as well as methane + n-alkane and ethane + n-alkane systems, were fully predicted. Correlation and predictions are qualitatively and quantitatively satisfactory. The deviations are within 4%−5% (i.e., comparable to those obtained on previously investigated systems). En ligne : http://pubs.acs.org/doi/abs/10.1021/ie071643r