Modeling of highly nonideal systems: 2. Prediction of high pressure phase equilibria with the group contribution NRTL-PR EoS - Archive ouverte HAL Accéder directement au contenu
Article Dans Une Revue Industrial and engineering chemistry research Année : 2010

Modeling of highly nonideal systems: 2. Prediction of high pressure phase equilibria with the group contribution NRTL-PR EoS

Résumé

The purpose of this study is to propose a simple cubic equation of state for the prediction of phase equilibria in highly non ideal systems. The NRTL-PR equation of state is based on the association of the Peng−Robinson EoS and the generalized NRTL model developed in the first part of this work. This model, which derives from the lattice two-fluid theory, was specially developed to take account for the differences in size and shape between mixture components. The main advantage of the resulting NRTL-PR equation of state is to yield a simple and predictive model, depending on very few interaction parameters. In addition, it also allows satisfactory predictions of excess enthalpies, liquid−vapor and liquid−liquid equilibria occurring in mixtures formed by very asymmetric compounds, such as hydrocarbons, water, and ethylene glycols.
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Dates et versions

hal-01025263 , version 1 (17-07-2014)

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Evelyne Neau, Joan Escandell, Christophe Nicolas. Modeling of highly nonideal systems: 2. Prediction of high pressure phase equilibria with the group contribution NRTL-PR EoS. Industrial and engineering chemistry research, 2010, 49 (16), pp.7589-7596. ⟨10.1021/ie101266x⟩. ⟨hal-01025263⟩
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