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Fluid phase equilibria of the reacting mixture in the dimethyl carbonate synthesis from supercritical CO2

Camy, Séverine and Pic, Jean-Stéphane and Badens, François and Condoret, Jean-Stéphane Fluid phase equilibria of the reacting mixture in the dimethyl carbonate synthesis from supercritical CO2. (2003) The Journal of Supercritical Fluids, 2 (1). 19-32. ISSN 0896-8446

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Official URL: http://dx.doi.org/10.1016/S0896-8446(02)00087-6


In order to investigate the dimethyl carbonate synthesis from methanol and supercritical CO2, the thermodynamic behaviour of the reacting mixture, i.e. the quaternary methanol/CO2/DMC/water mixture, has to be known. The SRK equation of state with MHV2 mixing rules has been chosen to predict fluid phase equilibria in the reactor. The first part of this work is dedicated to the determination of binary interaction parameters, needed in the use of this model. These parameters are deduced from the fitting of experimental data concerning binary or ternary sub-system existing in the quaternary mixture. Literature data was used for most of the binary sub-systems, but for the DMC/CO2 and DMC/water mixtures, specific experiments were carried out. The agreement between experimental and predicted fluid phase equilibria was found to be satisfactory. With a view to studying of the operating conditions for the reaction, the thermodynamic model was used to predict fluid phase equilibria in the reactor, by considering several hypothetical feed ratios and conversions. This work shows that CO2 has to be used in large excess in order to be sure of running the reaction in a homogeneous fluid medium.

Item Type:Article
Additional Information:Thanks to Elsevier editor. The definitive version is available at http://www.sciencedirect.com The original PDF of the article can be found at The Journal of Supercritical Fluids website : http://www.sciencedirect.com/science/journal/08968446
HAL Id:hal-03603072
Audience (journal):International peer-reviewed journal
Uncontrolled Keywords:
Institution:Other partners > Ecole Centrale Marseille (FRANCE)
Université de Toulouse > Institut National Polytechnique de Toulouse - Toulouse INP (FRANCE)
Université de Toulouse > Université Toulouse III - Paul Sabatier - UT3 (FRANCE)
French research institutions > Centre National de la Recherche Scientifique - CNRS (FRANCE)
Laboratory name:
Deposited On:05 Nov 2008 13:36

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