Abstract
The target of the present work is the development of analytical expressions for chemical kinetics estimation with respect to the widely accepted mathematical models for Diesel Oxidation Catalysts (DOC). The mathematical analysis is applied under ideal conditions using sufficiently simplified reaction schemes in order to identify the minimal input data and extract practical analytical relationships. These simplifications include temperature uniformity, dominant or insignificant inhibition terms and kinetically controlled conditions. In parallel to the mathematical analysis, an experimental procedure is proposed to generate suitable input data having in mind the assumptions used in the analytical expressions. The combined methodology is then tested using numerical experiments conducted with an advanced commercial simulation code. In order to establish confidence in the method, a sensitivity analysis is performed for each kinetic parameter. As a result, it is shown that the reaction kinetics can be estimated with good accuracy in a wide range of values, whereas inhibition kinetics can also be estimated satisfactorily but only for narrow ranges. Summing up, the proposed methodology can serve as a useful tool for fast and repeatable derivation of chemical kinetics in DOC formulations that conform to specific conditions.
Keywords: diesel oxidation catalyst, kinetics estimation, mass transport modelling