Optimization of Reactive Flows in a Single Channel of a Catalytic Monolith: Conversion of Ethane to Ethylene.

We discuss the modeling, simulation, and, for the first time, optimization of the reactive flow in a channel of a catalytic monolith with detailed chemistry. We use boundary layer approximation to model the process and obtain a high dimensional PDE. We discuss numerical methods based on the efficient solution of high dimensional stiff DAEs arising from spatial semi-discretization and SQP method for the optimal control problem parameterized by the direct approach. We have investigated the application of conversion of ethane to ethylene which involves a complex reaction scheme for gas phase and surface chemistry. Our optimization results show that the maximum yield, an improvement of a factor of two, is achieved for temperatures around 1300 K. [ABSTRACT FROM AUTHOR]