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

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.

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⟩

Journal: Industrial and engineering chemistry research

Date de publication: 01-01-2010

Auteurs:
  • Evelyne Neau
  • Joan Escandell
  • Christophe Nicolas

Digital object identifier (doi): http://dx.doi.org/10.1021/ie101266x

x >