摘要:
Our understanding of soot formation has evolved from an empirical,
phenomenological description to an age of quantitative modeling using
detailed chemistry and aerosol dynamics. Yet there still exist significant
fundamental gaps. This talk will be focused a discussion of several
fundamental issues critical to the development of the next-generation,
kinetic model for soot formation. The first issue concerns the multiplicity
of the reaction pathways leading to soot precursor formation. This
multiplicity stems from the varying and often strong sensitivity for the
formation of polycyclic aromatic hydrocarbons with respect to local and
global combustion condition and fuel components, and in the case of
real-fuel combustion, both can vary widely. Previous research shows that
the reaction kinetics of PAHs can be extremely sensitive to main flame
chemistry. While the kinetic uncertainties in the basic flame chemistry
will persist for a long time and considering the reaction path multiplicity,
the current modeling philosophy and capability may not be the most
productive path to deriving a broadly predictive chemistry model for PAH
formation in flames. In addition to this difficulty, recent work also
suggests that with entropy resistance, the dispersion and electrostatic
binding forces among the most stable PAH molecules are too weak to allow
them to bind efficiently at combustion temperatures. Thus, the mechanism of
soot nucleation remains largely undefined. Possible solutions to the above
problems will be suggested and discussed.
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