(519d) Modeling of Reaction with Immobilized Ionic Liquids

Immobilized Ionic Liquids (IL) are successfully used for continuous gas phase reactions in fixed beds (SILP).[ ] A thin layer of IL is coating a porous support. The catalyst, in general a metal complex, is homogenously dissolved in the IL. This setup increases the surface for reaction considerably between the gas- and liquid phase. Diffusion is playing a minor role because of short diffusion pathlengths. The reaction is thermodynamically controlled, so the key feature of the IL is to dissolve the reactants quite well and the products poorly.

As a non-technical model reaction we have chosen the hydrogenation of Propen in IL [BMIM][BTA] and [OMIM][BTA]. This reaction was chosen because there are no side and consecutive reactions. The conversion can be only measured in the gas phase, so the thermodynamical equilibrium must be known in advance. The modeling of the reaction is done in terms of activities.

We show how we selected the appropriate IL by the means of COSMO-RS what is based on quantum chemistry and introduced to chemical engineering by Arlt.[ ] [ ] Further, the kinetics of this reaction are presented.

It is possible to extend this investigation also to other systems, being of technical interest.

A. Riisager, R. Fehrmann, S. Flicker, R. van Hal, M. Haumann, P. Wasserscheid, Angew. Chem. Int. Ed. 2005, 44.

C. Jork, C. Kristen, D. Pieraccini, A. Stark, C. Chiappe, Y.A. Beste, W. Arlt, J. Chem. Thermodyn. 2005, 37, 537.

S. Maassen, W. Arlt, A. Klamt, CIT 1995, 67(4), 476.