Skeletal mechanisms of n-butanol, methyl butanoate, and syngas using alternate species elimination (ASE)

Skeletal mechanisms of methyl butanoate, n-butanol and syngas are derived from selected detailed chemical kinetic models for use in computational combustion applications. These reduced models are obtained using a species sensitivity mechanism reduction method termed the Alternate Species Elimination (ASE) approach. Ignition delay simulations are used as target combustion events to assess the relative change induced by the exclusion of a species under consideration. It is shown that a limited sample of ignition conditions is sufficient to provide a hierarchical ranking of chemical species from which skeletal models can be derived. The performance of the skeletal models presented in this study is assessed by comparing their predictions of ignition delay times, premixed flame propagation and diffusion flame structures with the predictions of the original detailed models. It is shown that ranking species on the basis of ignition simulations is capable of capturing a wide range of combustion phenomena, such as flame propagation and flame structure.