Development of a Predictive Equation of State for CO2 + Ethyl Ester Mixtures Based on Critical Points Measurements

Abstract : To design and optimize the noncatalytic supercritical process for biodiesel production based on ethanolysis and using carbon dioxide as a cosolvent, thermodynamic models are required to predict the fluid phase equilibria of the various mixtures involved within. This work is an attempt to extend the PPR78 predictive cubic equation of state to CO2+ ethyl ester systems. To do so, 105 mixture critical points of 11 CO2+ (saturated and unsaturated) ethyl ester mixtures were preliminary measured using a synthetic-dynamic apparatus. With the use of these data as well as vaporliquid equilibrium data collected in the open literature, 2 new groups were added to the PPR78 model (the ester group -COO and the ethyl acetate group) and 10 PPR78 group-interaction parameter values were determined. Although the PPR78 model offers a good predictive capacity, it is observed that the prediction may deteriorate with the ethyl ester chain length or the presence of double C=C bonds.
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Journal of Chemical and Engineering Data, American Chemical Society, 2014, 59 (10), pp.3205-3219. 〈10.1021/je5002494〉
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Soumis le : lundi 15 février 2016 - 15:29:20
Dernière modification le : samedi 10 février 2018 - 10:52:01

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Niramol Juntarachat, Romain Privat, Lucie Coniglio, Jean-Noël Jaubert. Development of a Predictive Equation of State for CO2 + Ethyl Ester Mixtures Based on Critical Points Measurements. Journal of Chemical and Engineering Data, American Chemical Society, 2014, 59 (10), pp.3205-3219. 〈10.1021/je5002494〉. 〈hal-01274185〉

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