Catalytic Combustion Kinetics: Using a Direct Search Algorithm to Evaluate Kinetic Parameters from Light-Off Curves

This paper describes a method for evaluating the kinetic constants in a rate expression for catalytic combustion applications using experimental light-off curves. The method uses a transient one-dimensional single channel monolith finite element reactor model to simulate reactor performance. The heat and mass transfer models used account for developing flow in the entrance region. A parameter global optimization routine based on a generalized pattern Search algorithm is used to determine the best fit parameters in the rate expression for the oxidation of CO and mixtures of CO and CH4. The algorithm is compared to a more classical gradient method, the Fletcher-Reeves method.

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