This work focuses on the development of a highly compact
and robust chemical reaction mechanism for unsaturated furan oxidation
in internal combustion engines. Recently, furans have gathered much
attention in the research community as they are second-generation
biofuels that do not compete with food supplies, unlike first-generation
biofuels. Moreover, they are oxygenated and highly resistant to knocking
when compressed. A four-component chemical reaction mechanism, consisting
of furan, 2-methylfuran, 2,5-dimethylfuran, and toluene, is developed
to simulate the combustion of unsaturated furans under engine-relevant
conditions. First, a detailed furan, 2-methylfuran, and 2,5-dimethylfuran
reaction mechanism from the literature is selected and reduced under
engine-relevant conditions. Sensitivity analysis and the species rate
of production are employed to identify the major reaction pathways
of the respective furanic components under different conditions. After
which, isomer lumping and reaction lumping are used to further reduce
the size of the major reaction pathways and the skeletal major reaction
pathways for furan, 2-methylfuran, and 2,5-dimethylfuran are included
to a compact toluene base mechanism
from the literature to form the final mechanism, consisting of only
62 species among 228 reactions. Subsequently, the pre-exponential
A factors in Arrhenius equations of the furanic reactions are optimized
via an in-house multiobjective nondominated sorting genetic algorithm,
and successively, the generalized polynomial chaos is introduced to
model the uncertainty of the input rate coefficient and its propagation
in ignition behavior. The performance of the different furanic components
in the mechanism is then validated against experimental data from
the literature. The predicted results are in reasonable agreement
with experimental results considering the compact size of the developed
mechanism and the challenge of multiobjective optimization.
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