Coupling Euler-Euler and Microkinetic Modeling for the Simulation of Fluidized Bed Reactors: an Application to the Oxidative Coupling of Methane.

We propose a numerical methodology to combine detailed microkinetic modeling and Eulerian-Eulerian methods for the simulation of industrial fluidized bed reactors. An operator splitting-based approach has been applied to solve the detailed kinetics coupled with the solution of multiphase gas-solid flows. Lab and industrial reactor configurations are simulated to assess the capability and the accuracy of the method by using the oxidative coupling of methane as a showcase. A good agreement with lab-scale experimental data (deviations below 10%) is obtained. Moreover, in this specific case, the proposed framework provides a 4-fold reduction of the computational cost required to reach the steady-state when compared to the approach of linearizing the chemical source term. As a whole, the work paves the way to the incorporation of detailed kinetics in the simulation of industrial fluidized reactors.