Jiang Y, Qiu R (2010d) A Reduced Mechanism for Flame Inhibition by Phosphorus-containing Compounds Based on Level of Importance Analysis. Chinese Journal of Chemical Engineering 18(5), 711-720. [In English]

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Keywords:

phosphorus-containing compounds; reduced mechanism; level of importance; flame inhibition; low-dimensional manifolds; complex kinetic systems; directed relation; graph; chemical-kinetics; sensitivity analysis; csp data; reduction; combustion; chemistry; simulation

Abstract: A reduced mechanism for propane/air combustion and its flame inhibition by phosphorus-containing compounds (PCCs) is constructed with the level of importance (LOI) method. The analysis is performed on solutions of freely propagating premixed flames with detailed chemical kinetics involving 121 species and 682 reactions proposed by Jayaweera et al. For the non-homogeneous reaction-diffusion system, the chemical lifetime of each species is weighted by its diffusion timescale, and the characteristic flame timescale is used to normalize the chemical lifetime. The definition of sensitivity in LOI is extended so that multi-parameters can be used as sensitivity targets. Propane, oxygen, dimethyl methylphosphonate (DMMP), and flame speed are selected to be perturbed for sensitivity analysis, the species with low LOT index are removed, and reactions involving the redundant species are excluded from the mechanism. A skeletal mechanism is obtained, which consists of 57 species and 268 elementary reactions. Calculations for laminar flame speeds, key flame radicals and catalytic cycles using the skeletal mechanism are in good agreement with those by using the detailed mechanism over a wide range of equivalence ratio undoped and doped with DMMP.