李山岭, 蒋勇, 邱榕. The Generation of a Reduced Mechanism for Flame Inhibition by Phosphorus Containing Compounds Based on Path Flux Analysis Method[J]. 中国化学工程学报(英文版), 2013,21(4):357-3651004-954160480-2.
LI Shanling, JIANG Yong, QIU Rong . The Generation of a Reduced Mechanism for Flame Inhibition by Phosphorus Containing Compounds Based on Path Flux Analysis Method[J]. Chin.J.Chem.Eng., 2013, 21(4): 357-365.
李山岭, 蒋勇, 邱榕. The Generation of a Reduced Mechanism for Flame Inhibition by Phosphorus Containing Compounds Based on Path Flux Analysis Method[J]. 中国化学工程学报(英文版), 2013,21(4):357-3651004-954160480-2.DOI: 10.1016/S1004-9541(13)60480-2.
LI Shanling, JIANG Yong, QIU Rong . The Generation of a Reduced Mechanism for Flame Inhibition by Phosphorus Containing Compounds Based on Path Flux Analysis Method[J]. Chin.J.Chem.Eng., 2013, 21(4): 357-365.DOI: 10.1016/S1004-9541(13)60480-2.
The Generation of a Reduced Mechanism for Flame Inhibition by Phosphorus Containing Compounds Based on Path Flux Analysis Method
In order to analyze the complex chemical kinetic mechanism systematically and find out the redundant species and reactions
a numerical platform for mechanism analysis and simplification is established basing on Path Flux Analysis (PFA). It is used to reduce a detailed mechanism for flame inhibited by phosphorus containing compounds
a reduced mechanism with 65 species and 335 reactions is obtained. The detailed and reduced mechanism are both used to calculate the freely-propagating premix C
3
H
8
/air flame with different dimethyl methylphosphonate doped over a wide range of equivalence ratios. The concentration distributions of free radicals and major species are compared
and the results under two different mechanisms agree well. The laminar flame speed obtained by the two mechanisms also matches well
with the maximum relative error introduces as a small value of 1.7%. On the basis of the reduced mechanism validation
the correlativity analysis is conducted between flame speed and free radical concentrations
which can provide information for target species selection in the further mechanism reduction. By analyzing the species and reactions fluxes
the species and reaction paths which
contribute the flame inhibition significantly are determined.
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