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Extension of the Elliott-Suresh-Donohue equation of state to dipolar systems / Farzad Alavi in Industrial & engineering chemistry research, Vol. 48 N° 10 (Mai 2009) 

Public ISBD [article]  in Industrial & engineering chemistry research > Vol. 48 N° 10 (Mai 2009) . - pp. 5035–5045 Titre : Extension of the Elliott-Suresh-Donohue equation of state to dipolar systems Type de document : texte imprimé Auteurs : Farzad Alavi, Auteur ; Farzaneh Feyzi, Auteur Année de publication : 2009 Article en page(s) : pp. 5035–5045 Note générale : Chemical engineering Langues : Anglais (eng) Mots-clés : Elliott−Suresh−Donohue  equation  of  state  Dipolar  systems  Square-well  reference  Vapor−liquid  equilibrium  Liquid−liquid  equilibrium Résumé : The Elliott−Suresh−Donohue (ESD) equation of state (EOS) is extended to dipolar systems by adding a contribution as perturbation to the Helmholtz energy of the system. The polar contribution is based on the Padé approximation for square-well (SW) reference potential. Pure compound parameters of the new equation were regressed by vapor pressure and saturated density analyses. The parameters were then generalized for nonassociating compounds based on the data for 38 slightly polar substances, mostly including hydrocarbons. Using the polar perturbation term, the accuracy of the ESD EOS to predict saturation properties of pure components is improved in both generalized (nonassociating) and nongeneralized (associating) forms. The proposed model is applied to vapor−liquid equilibrium (VLE) and liquid−liquid equilibrium (LLE) in binary polar systems including associating compounds. Using the polar contribution, the required binary interaction parameter was decreased in comparison with the ESD EOS. By some illustrations, it is demonstrated that the polar perturbation term improves the accuracy and applicability of the ESD EOS. En ligne : http://pubs.acs.org/doi/abs/10.1021/ie800689f [article] Extension of the Elliott-Suresh-Donohue equation of state to dipolar systems [texte imprimé] / Farzad Alavi, Auteur ; Farzaneh Feyzi, Auteur . - 2009 . - pp. 5035–5045. Chemical engineering Langues : Anglais (eng) in Industrial & engineering chemistry research > Vol. 48 N° 10 (Mai 2009) . - pp. 5035–5045 Mots-clés : Elliott−Suresh−Donohue  equation  of  state  Dipolar  systems  Square-well  reference  Vapor−liquid  equilibrium  Liquid−liquid  equilibrium Résumé : The Elliott−Suresh−Donohue (ESD) equation of state (EOS) is extended to dipolar systems by adding a contribution as perturbation to the Helmholtz energy of the system. The polar contribution is based on the Padé approximation for square-well (SW) reference potential. Pure compound parameters of the new equation were regressed by vapor pressure and saturated density analyses. The parameters were then generalized for nonassociating compounds based on the data for 38 slightly polar substances, mostly including hydrocarbons. Using the polar perturbation term, the accuracy of the ESD EOS to predict saturation properties of pure components is improved in both generalized (nonassociating) and nongeneralized (associating) forms. The proposed model is applied to vapor−liquid equilibrium (VLE) and liquid−liquid equilibrium (LLE) in binary polar systems including associating compounds. Using the polar contribution, the required binary interaction parameter was decreased in comparison with the ESD EOS. By some illustrations, it is demonstrated that the polar perturbation term improves the accuracy and applicability of the ESD EOS. En ligne : http://pubs.acs.org/doi/abs/10.1021/ie800689f