Influence of solvent choice on the optimisation of a reaction–separation operation : application to a Beckmann rearrangement reaction

Sébastien Elgue (1) , Laurent Prat (1) , Patrick Cognet (1) , Michel Cabassud (1) , Jean-Marc Le Lann (1) , Jérome Cezerac (2)

1 LGC - Laboratoire de Génie Chimique
2 SANOFI Recherche

In pharmaceutical syntheses, the solvent choice generally represents a complex design step. Traditionally, this choice is operated according to criteria connected with the reaction step and without any consideration on the following separation steps. The purpose of this study is to highlight the benefits of a global approach of optimisation for the solvent determination. In this way, an optimisation framework dedicated to global synthesis is applied to a simple reaction–separation operation integrating a Beckmann rearrangement reaction, leading to interesting solvent choices.

Mots clés: Optimisation; Solvent choice; Batch process; Reaction–separation operation; Dynamic simulation

Domaines: Génie des procédés; Génie chimique

Sébastien Elgue, Laurent Prat, Patrick Cognet, Michel Cabassud, Jean-Marc Le Lann, et al.. Influence of solvent choice on the optimisation of a reaction–separation operation : application to a Beckmann rearrangement reaction. Separation and Purification Technology, 2004, 3 (1-3), pp.273-281. ⟨10.1016/S1383-5866(03)00200-4⟩. ⟨hal-03602703⟩