A Minimal Skeletal Mechanism for Combustion of CH4/O2/CO2 Mixtures
Version 2 2016-01-13, 21:49Version 2 2016-01-13, 21:49
Version 1 2016-01-13, 21:49Version 1 2016-01-13, 21:49
Posted on 2016-01-06 - 00:00
In this paper, a minimal skeletal
mechanism involving 20 species
and 56 reactions was generated for CH4/O2/CO2 mixtures from the GRI Mech 3.0 mechanism. The directed relation
graph-aided sensitivity analysis (DRGASA) method was applied for mechanism
reduction at the first step. Then, principle component analysis (PCA)
was used for further reduction. The chemical reality of the generated
skeletal mechanism was checked by the reaction pathways analysis of
CH4/O2/CO2 mixtures in a constant-pressure
ignition process. Finally, the generated skeletal mechanism was validated
by the ignition delay times, laminar flame speeds, important species
concentrations, and extinction turning points in the conditions of
various pressures, temperatures, O2/CO2 ratios,
and equivalence ratios. Results showed that the developed skeletal
mechanism could reproduce the results from the detailed mechanism.
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Hu, Xianzhong; Yu, Qingbo; Li, Yanming; Liu, Junxiang (2016). A Minimal Skeletal Mechanism for Combustion of CH4/O2/CO2 Mixtures. ACS Publications. Collection. https://doi.org/10.1021/acs.energyfuels.5b02575