A detailed chemical kinetic model is developed and tested for the combustion of C2 and
C3 oxygenated fuels such as ethanol, DME (dimethyl ether), acetone and n-propanol.
It is validated by comparing predictions with experimental data on the structure of low
pressure burner stabilised premixed
flames and laminar burning velocities over a wide
range of equivalence ratios. Data from shock tube and stirred reactor studies has also
been considered.
The elementary reactions of ethanol and DME oxidation have been studied extensively
and were used as a starting point for extension to C3 oxygenated fuels. The chemistry of
acetylene which is one of major intermediate species in higher hydrocarbon
flames was
also updated to improve the reliability of the present mechanism and acetylene laminar
burning velocities and low-pressure premixed lean and rich
flames were also computed.
The detailed mechanism features more than 1500 reaction steps and 269 species. The
structure of laminar premixed
flames are predicted by using measured temperature profiles and conditions cover fuel-lean and fuel-rich mixtures at low pressure. The profiles of
reactants, products and major intermediate species are compared to experimental data
from mass spectrometry and the overall agreement between the kinetic model and experimental
data is satisfactory. An analytic study of fuel consumption pathways is carried
out to understand the detailed consumption pathways. The present mechanism is also
tested against laminar
flame speeds by calculating freely propagating premixed
flames
to extend the understanding of the combustion characteristics of oxygenated fuels. A
sensitivity analysis is also performed.