A New Way of Probing Reaction Networks: Analyzing Multidimensional Parameter Space

Raoul      Naumann d'Alnoncourt; Yury      V. Kolen'ko; Robert      Schlogl; Annette      Trunschke

Abstract

Technically relevant partial oxidation reactions represent complex reaction networks. Establishing a kinetic model for a system of multiple consecutive and parallel reaction steps is a challenging goal. The synthesis of acrylic acid by oxidation of propane using MoVTeNb mixed oxide as catalyst is such a reaction network. In an on-going study, a 10- fold parallel reactor set-up is used to vary systematically reaction conditions in a broad range over a single, well-defined MoVTeNb oxide. Selectivity and product yield in a multidimensional parameter space can give insight into the reaction network. Apparent activation energies and reaction orders of propane are derived for several conditions. Optimum reaction conditions within the investigated parameter space are specified. The results presented within this contribution contain about 200 data points measured in steady states each corresponding to reaction conditions that differ in temperature, contact time, and propane feed concentration. The fact that this data was collected in less than two months shows clearly the advantage of parallel screening of reaction conditions for mechanistic studies.

Keywords: Acrylic acid, MoVTe, partial oxidation, propane, reaction network, multiple consecutive, kinetic model, reaction conditions, multidimensional parameter, active catalysts, feedstock, heterogenous catalysis, parameters, crustalline shape, size diatribution, liquid nitrogen, hudrocarbons, concentration, individual reactor, effluents