Modelling of the supported ionic-liquid-Phase (SILP) catalyst system

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Ionic Liquid Phase (SILP) catalyst systems are solid catalysts consisting of an ionic liquid film in the size of a diffusion layer with a homogeneously dissolved catalyst (transition-metal complex) confined on the surface of a porous, high-area support material. The ionic liquid is held on the surface area by physisorption, tethering, or covalent anchoring. This proposal focuses on physisorption of the IL. The research goal is the modeling of this reaction. As the model system no.1, the hydrogenation of propen to propane has been chosen. This reaction is of no industrial significance but includes only apolar substances being easy to represent in a thermodynamical system. Further, the products cannot react with each other so no side products are expected. For the 2nd period of this joint research programme (year 4-6) the developed methodology will be extented to polar systems like the hydroformylation, where polar and non-polar compounds are involved and side reaction are known. The present state-of-art is a rough overall kinetic expression which includes the partial pressure of the hydrogen but the IL and thermodynamical aspects are neglected. This proposal models the solubility of the hydrogen and the propen in the IL and the dissolution rate of the product propane. A 1st question to be answered is whether the surface of the support changes the nature of the IL. The 2nd step is the modeling of the homogeneous reaction on the basis of activities (not concentrations). After this tool has been set-up, the chemical nature of the IL can be adopted to the reaction. It should dissolve the reactants and not dissolve the products thus forcing the reaction to run at maximum speed. In addition, the reaction of products to side-products will be avoided by a quick dissolution. Such a model can be easily adopted to other important SILP reactions.