Extension of GMA equation of state to long - chain alkanes using group contribution method / Majid Moosavi in Industrial & engineering chemistry research, Vol. 49 N° 14 (Juillet 2010)  

Public ISBD [article]  inIndustrial & engineering chemistry research > Vol. 49 N° 14 (Juillet 2010) . - pp. 6662–6669 Titre : Extension of GMA equation of state to long - chain alkanes using group contribution method Type de document : texte imprimé Auteurs : Majid Moosavi, Auteur Année de publication : 2010 Article en page(s) : pp. 6662–6669 Note générale : Industrial chemistry Langues : Anglais (eng) Mots-clés : Equation Alkanes Résumé : In this work, the group contribution method has been applied in combination with the Goharshadi−Morsali−Abbaspour (GMA) equation of state (EoS) to calculate the density of n-alkanes and their binary and ternary mixtures. Each normal alkane has been considered as a hypothetical mixture of methyl and methylene groups in which the interaction potential between each pair is assumed to be the average effective pair potential (AEPP). The GMA EoS has been modified for n-alkanes according to the group contribution method (GCM), and the new regularity is called GCM−GMA EoS. Propane, n-butane, and n-hexane have been used as basic compounds to investigate the contribution of each carbonic (methyl and methylene) group in the new EoS parameters. The calculated parameters along with GCM−GMA EoS have been used to calculate the density of n-alkanes and their binary and ternary mixtures at different temperatures, pressures, and compositions. The results in the prediction of density show good agreement with experimental data. To show the ability of this equation of state in the prediction of density, the calculated densities of some liquid mixtures have been compared with those computed from original GMA EoS according to mixing and combining rules and also with the COSTALD method. The GCM-GMA EoS have been also compared with four cubic equations of state, namely, RM (Riazi-Mansoori), RK (Redlich-Kwong), SRK (Soave-Redlich-Kwong), and PR (Peng-Rabinson). The results show that the group contribution method gives better results than other methods. ISSN : 0888-5885 En ligne : http://pubs.acs.org/doi/abs/10.1021/ie100515r [article] Extension of GMA equation of state to long - chain alkanes using group contribution method [texte imprimé] / Majid Moosavi, Auteur . - 2010 . - pp. 6662–6669. Industrial chemistry Langues : Anglais (eng) in Industrial & engineering chemistry research > Vol. 49 N° 14 (Juillet 2010) . - pp. 6662–6669 Mots-clés : Equation Alkanes Résumé : In this work, the group contribution method has been applied in combination with the Goharshadi−Morsali−Abbaspour (GMA) equation of state (EoS) to calculate the density of n-alkanes and their binary and ternary mixtures. Each normal alkane has been considered as a hypothetical mixture of methyl and methylene groups in which the interaction potential between each pair is assumed to be the average effective pair potential (AEPP). The GMA EoS has been modified for n-alkanes according to the group contribution method (GCM), and the new regularity is called GCM−GMA EoS. Propane, n-butane, and n-hexane have been used as basic compounds to investigate the contribution of each carbonic (methyl and methylene) group in the new EoS parameters. The calculated parameters along with GCM−GMA EoS have been used to calculate the density of n-alkanes and their binary and ternary mixtures at different temperatures, pressures, and compositions. The results in the prediction of density show good agreement with experimental data. To show the ability of this equation of state in the prediction of density, the calculated densities of some liquid mixtures have been compared with those computed from original GMA EoS according to mixing and combining rules and also with the COSTALD method. The GCM-GMA EoS have been also compared with four cubic equations of state, namely, RM (Riazi-Mansoori), RK (Redlich-Kwong), SRK (Soave-Redlich-Kwong), and PR (Peng-Rabinson). The results show that the group contribution method gives better results than other methods. ISSN : 0888-5885 En ligne : http://pubs.acs.org/doi/abs/10.1021/ie100515r

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