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Multicomponent vapor – liquid – liquid equilibrium prediction using an a priori segment based model / Debashis Kundu in Industrial & engineering chemistry research, Vol. 50 N° 24 (Décembre 2011) 

Public ISBD [article]  in Industrial & engineering chemistry research > Vol. 50 N° 24 (Décembre 2011) . - pp 14090–14096 Titre : Multicomponent vapor – liquid – liquid equilibrium prediction using an a priori segment based model Type de document : texte imprimé Auteurs : Debashis Kundu, Auteur ; Tamal Banerjee, Auteur Année de publication : 2012 Article en page(s) : pp 14090–14096 Note générale : Chimie industrielle Langues : Anglais (eng) Mots-clés : Vapor  Liquid Résumé : An isobaric vapor–liquid–liquid equilibrium of eight hydrocarbon systems (seven ternary and one quaternary) has been predicted by equilibrium relations and flash relations. COSMO-SAC, a variant of the COSMO-RS model has been used to calculate the activity coefficients. For the prediction of VLLE, two approaches have been adopted. A modified Rachford–Rice algorithm was used in the equilibrium approach and the Henley–Rosen algorithm for the three phase flash calculation to predict the composition via the flash approach. Overall, the average root-mean-square deviation (rmsd) in the organic phase composition using the equilibrium approach for all the systems taken together is 10.67%. The rmsd values of 7.45% in the aqueous phase and 3.26% in the vapor phase were reported via equilibrium relations. The flash algorithm when applied for two systems, namely, water + 1-propanol + di-n-propyl ether and water + 2-propanol + di-iso-propyl ether, gave an overall average rmsd in the organic phase to be 19.17%, 4.03% in the aqueous phase, and 5.84% in vapor phase. DEWEY : 660 ISSN : 0888-5885 En ligne : http://pubs.acs.org/doi/abs/10.1021/ie201864y [article] Multicomponent vapor – liquid – liquid equilibrium prediction using an a priori segment based model [texte imprimé] / Debashis Kundu, Auteur ; Tamal Banerjee, Auteur . - 2012 . - pp 14090–14096. Chimie industrielle Langues : Anglais (eng) in Industrial & engineering chemistry research > Vol. 50 N° 24 (Décembre 2011) . - pp 14090–14096 Mots-clés : Vapor  Liquid Résumé : An isobaric vapor–liquid–liquid equilibrium of eight hydrocarbon systems (seven ternary and one quaternary) has been predicted by equilibrium relations and flash relations. COSMO-SAC, a variant of the COSMO-RS model has been used to calculate the activity coefficients. For the prediction of VLLE, two approaches have been adopted. A modified Rachford–Rice algorithm was used in the equilibrium approach and the Henley–Rosen algorithm for the three phase flash calculation to predict the composition via the flash approach. Overall, the average root-mean-square deviation (rmsd) in the organic phase composition using the equilibrium approach for all the systems taken together is 10.67%. The rmsd values of 7.45% in the aqueous phase and 3.26% in the vapor phase were reported via equilibrium relations. The flash algorithm when applied for two systems, namely, water + 1-propanol + di-n-propyl ether and water + 2-propanol + di-iso-propyl ether, gave an overall average rmsd in the organic phase to be 19.17%, 4.03% in the aqueous phase, and 5.84% in vapor phase. DEWEY : 660 ISSN : 0888-5885 En ligne : http://pubs.acs.org/doi/abs/10.1021/ie201864y