Développement d'une méthode de contributions de groupes pour le calcul du coefficient d'interaction binaire de l'équation d'état de Peng-Robinson et mesures d'équilibres liquide-vapeur de systèmes contenant du CO2

Abstract : A group contribution method allowing the estimation of the temperature dependent binary interaction parameter (kij) for the Peng Robinson equation of state is proposed. Doing so, a new predictive thermodynamic model is born. Twelve groups are defined and it is now possible to estimate the kij for any mixture containing alkanes, aromatics, naphthenes and CO2, whatever the temperature. The model, called PPR78 (Predictive 1978, Peng Robinson equation of state), gives a good description of the phase diagrams and critical locus of binary systems. This predictive model can be successfully employed for the simulation of many mixtures such as natural gases and petroleum fluids. Using a high pressure visual cell, vapor liquid equilibria measurements were made for two binary systems: CO2 methylcyclopentane and CO2 isopropylcyclohexane. For these two systems, no literature data were available. Finally, we measured bubble and dew points on a five component hydrocarbon mixture in the presence of CO2
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Stéphane Vitu. Développement d'une méthode de contributions de groupes pour le calcul du coefficient d'interaction binaire de l'équation d'état de Peng-Robinson et mesures d'équilibres liquide-vapeur de systèmes contenant du CO2. Autre. Institut National Polytechnique de Lorraine, 2007. Français. ⟨NNT : 2007INPL080N⟩. ⟨tel-01752828⟩

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