Développement du modèle E-PPR78 pour prédire les équilibres de phases et les grandeurs de mélange de systèmes complexes d'intérêt pétrolier sur de larges gammes de températures et de pressions

Abstract : We have developed a predictive model, by means of a group contribution method, in order to predict with accuracy, the behavior of petroleum fluids. The model called PPR78 uses the Peng-Robinson equation of state and Van der Waals-type mixing rules with a temperature dependent binary interaction parameter kij. Such mixing rules are identical to those obtained by combining at constant packing fraction, a Van Laar-type excess function and a cubic equation of state.The first part of this study consisted in extending the application of the model PPR78 to systems containing water, alkenes and hydrogen, by defining six new elementary groups. The phase equilibria of binary systems involving these components are accurately described by the model, especially for the phase diagrams of Type I and Type II. In the second part, all the group parameters of the original model were re-fitted by using the phase equilibrium data, as well as the mixing property data. The advantage of this new model E-PPR78 is that it is capable to correlate the phase equilibria with an accuracy which is equivalent to the original model and it produces a very clear improvement in the prediction of excess enthalpies and excess heat capacities.
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Junwei Qian. Développement du modèle E-PPR78 pour prédire les équilibres de phases et les grandeurs de mélange de systèmes complexes d'intérêt pétrolier sur de larges gammes de températures et de pressions. Autre. Institut National Polytechnique de Lorraine, 2011. Français. ⟨NNT : 2011INPL105N⟩. ⟨tel-01749526⟩

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