The Generation of a Reduced Mechanism for Flame Inhibition by Phosphorus Containing Compounds Based on Path Flux Analysis Method

李山岭; 蒋勇; 邱榕

doi:10.1016/S1004-9541(13)60480-2

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The Generation of a Reduced Mechanism for Flame Inhibition by Phosphorus Containing Compounds Based on Path Flux Analysis Method

催化、动力学与反应工程 | Updated：2026-01-06

- The Generation of a Reduced Mechanism for Flame Inhibition by Phosphorus Containing Compounds Based on Path Flux Analysis Method
- Chinese Journal of Chemical Engineering Vol. 21, Issue 4, Pages: 357-3651004-954160480-2(2013)
- Affiliations：
  
  University of Science and Technology of China, State Key Laboratory of Fire Science,Hefei,China,230026
- Author bio：
- Funds：
- DOI：10.1016/S1004-9541(13)60480-2
  CLC：
- Published：2013
- Accepted：
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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：

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.

摘要

Abstract

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

/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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Related Author

蒋勇

邱榕

Related Institution

State Key Laboratory of Fire Science, University of Science and Technology of China

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