Extension of the PPR78 model (predictive 1978, Peng-Robinson EOS with temperature dependent kij calculated through a group contribution method) to systems containing aromatic compounds

In a previous paper [J.N. Jaubert, F. Mutelet, Fluid Phase Equilib. 224 (2004) 285-304], we started to develop a group contribution method aimed at estimating the temperature dependent binary interaction parameters (k ij(T)) for the widely used Peng-Robinson equation of state (EOS). In this approach, the kij between two components i and j is a function of temperature (T) and of the pure component critical temperatures (T ci and Tcj), critical pressures (Pci, P cj) and acentric factors (ωi, ωj). Because our model relies on the Peng-Robinson EOS as published by Peng and Robinson in 1978 and because the addition of a group contribution method to estimate the kij makes it predictive, this model was called PPR78 (predictive 1978, Peng-Robinson EOS). In our previous paper, six groups were defined: CH3, CH2, CH, C, CH4 (methane) and C2H6 (ethane). It was thus possible to estimate the k ij for any mixture of saturated hydrocarbons (n-alkanes and branched alkanes), whatever the temperature. In this study, the PPR78 model is extended to systems containing aromatic compounds. To do so, two new groups were added: CHaro and Caro.

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Additional Info

Field Value
Source ISSN: 0378-3812
Author J.N., Jaubert, Vitus, S., Mutelet, F., J.P., Corriou
Maintainer CCSD
Last Updated May 20, 2026, 07:50 (UTC)
Created May 20, 2026, 07:50 (UTC)
Identifier hal-00069298
Language en
contributor Laboratoire de Thermodynamique des Milieux Polyphasés (LTMP) ; Institut National Polytechnique de Lorraine (INPL)
creator J.N., Jaubert
date 2005-05-20T00:00:00
harvest_object_id b0aa7fd8-569b-4c8c-a779-b6ebb2e775f8
harvest_source_id 3374d638-d20b-4672-ba96-a23232d55657
harvest_source_title test moissonnage SELUNE
metadata_modified 2023-03-24T00:00:00
relation info:eu-repo/semantics/altIdentifier/doi/10.1016/j.fluid.2005.09.003
set_spec type:ART