||Integrated Design of a Reactor and a Gas-Expanded Solvent
|| Siougkrou, E., Galindo, A., Adjiman, C.S.
||Computer Aided Chemical Engineering, vol.29, p.316-320
||Gas-expanded solvent; Integrated and process design; Mixture design; Reactor design; Solvatochromic equation
||Gas-expanded liquids have recently generated great interest, because of their distinct behaviour, which combines gas and liquid characteristics, and because they are more environmentally benign than traditional organic solvents. In this work, a methodology for the integrated design of a CO 2-expanded solvent and a reactor for a Diels-Alder reaction is presented. The co-solvents studied are acetonitrile, methanol and acetone. The solvatochromic equation is used for the prediction of the rate constant combined with a preferential solvation model, while the group-contribution volume translated Peng Robinson is used for the phase equilibria. Finally, the most appropriate co-solvent and the optimum operating conditions are proposed for the particular process. © 2011 Elsevier B.V.
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