mechanisms for practical use of smart energy carriers
Scope
Combustion phenomena can be
interpreted by detailed kinetic
reaction mechanisms consisting of several hundreds or
even thousands of reaction steps. It may be important to determine
the key reaction steps
that drive the overall reactivity of the chemical system or the
production of key species. It may also be necessary to include the
chemical mechanism within a larger model describing, for example,
a reactive flow problem. In this case the smallest version of the
mechanism describing key kinetic features may be required in order
to meet the limitations of the computational requirements. Mechanism reduction
techniques can identify the core reactions in a large mechanism
and the application of reduced mechanisms may speed up the
simulations, allowing engineering optimizations. It may also be
important to determine the predictability of any model which
incorporates the chemical mechanism, and therefore to assess the confidence that can be placed
in simulation results. Uncertainty
analysis allows the calculation of the uncertainty of
simulation results based on the users’ best knowledge of the input
parameters, potentially putting an error bar on model predictions.
Sensitivity analysis can
provide the subsequent identification of the most important
parameters driving model uncertainty. These methods can form a key
part of the process of model
evaluation and improvement.
The training school consists of
morning lectures and
afternoon hands-on computer
practice sessions. The morning lectures will discuss the
theory, while the methods could be used by computer codes. The
trainees are requested of bring with them a laptop with all codes
preinstalled. The discussed codes are freewares, but the trainees
have to get a prior permission from the authors of the codes.
Features of these codes will be demonstrated on a series
of examples.