Title:
|
Applying micro-kinetic techniques to the modelling of automotive catalysis
|
Kinetic modelling of aftertreatment systems have become a major part of
catalyst evaluation and development. A large number of kinetic models have
appeared in literature over the past number of decades, varying in
application from single reaction models to models capable of simulating a
full reaction set for automotive application. All the kinetic models
however use either one of two approaches, global kinetics or microkinetics.
The kinetic model developed in this work uses both kinetic approaches,
allowing the user to select the kinetic approach required for the
simulation for each individual reaction. The work presented in this report
details the theory behind the kinetic model and development of the micro kinetic
and dual kinetic routines.
The model is validated against a range of experimental data consisting of
end pipe, spatially resolved and vehicle data. Simulations conducted using
the -kinetic model proves accurate for each of the kinetic approaches used
(global kinetics, micro-kinetics and dual kinetics). with a comparison of each
kinetic approach conducted throughout.
Integrating micro-kinetics into the kinetic model increased the accuracy
of the simulations for the conditions conducted, providing more
information for the CO oxidation than previously available using the
global kinetic approach. The dual kinetic approach incorporating global
kinetics and micro-kinetics provided more accurate results than a purely
global kinetic model. The model has been developed to support the further
development and expansion of the micro-kinetic reactions.
|