The
methyl butanoate (MB) autoignition detailed mechanism including 275
species and 1545 elementary reactions was reduced through the systematic
mechanism reduction approach. First, the smallest skeletal mechanism
containing 79 species and 399 elementary reactions was achieved from
the detailed mechanism by comparing four different graph-based reduction
methods. Then, 123 unimportant reactions were eliminated using the
computational singular perturbation (CSP), generating the ultimate
skeletal mechanism consisting of 79 species and 276 elementary reactions.
Finally, 26 global quasi-steady-state species were identified using
a CSP-based time-scale analysis, resulting in a 53 species reduced
mechanism. The 79 species skeletal and 53 species reduced mechanisms
have been validated against the detailed mechanism, and the simulation
results show good agreement with both the ignition delay time and
the distribution of species concentration over a wide range of simulation
conditions
