Kinetic modeling of particle size distribution of soot in a premixed burner-stabilized stagnation ethylene flame

Saggese, Chiara; Ferrario, Sara; Camacho, Joaquin; Cuoci, Alberto; Frassoldati, Alessio; Ranzi, Eliseo; Wang, Hai; Faravelli, Tiziano

doi:10.1016/j.combustflame.2015.06.002

Title: Kinetic modeling of particle size distribution of soot in a premixed burner-stabilized stagnation ethylene flame

Journal Article · Thu Jun 18 00:00:00 EDT 2015 · Combustion and Flame

DOI:https://doi.org/10.1016/j.combustflame.2015.06.002· OSTI ID:1369832

Saggese, Chiara ^[1]; Ferrario, Sara ^[2]; Camacho, Joaquin ^[3]; Cuoci, Alberto ^[2]; Frassoldati, Alessio ^[2]; Ranzi, Eliseo ^[2]; Wang, Hai ^[3]; Faravelli, Tiziano ^[2]

Polytechnic Univ. of Milan (Italy); Stanford Univ., CA (United States)
Polytechnic Univ. of Milan (Italy)
Stanford Univ., CA (United States)

A detailed model of soot formation is proposed, which consists of a gas-phase kinetic model for the pyrolysis and oxidation of selected hydrocarbon fuels and a kinetic mechanism of soot nucleation and mass/size growth through coagulation and surface reactions. The gas-phase model (Ranzi et al., 2012) was expanded to include the chemistry of Polycyclic Aromatic Hydrocarbons (PAHs) up to four-to-five ring PAHs, with a modular and hierarchical approach. The discrete sectional approach was employed to solve the size evolution of the particle size distribution function (PSDF). Analogy and similarity rules were employed to describe heterogeneous reaction kinetics of soot surface reactions. A variable collision efficiency was assumed for the coalescence of small soot particles. Larger particles were assumed to undergo aggregation. The predicted PSDFs are found to be in reasonably good agreement with the experimental data for nascent soot measured in an atmospheric-pressure premixed ethylene–oxygen–argon flame in the burner-stabilized stagnation flame configuration. Sensitivity analyses of the PSDF, number density, and volume fraction were carried out with respect to the rate parameters of addition reactions of acetylene, PAHs, resonantly stabilized radical reactions, and coalescence and aggregation. The findings demonstrate that the reaction of PAHs and acetylene with soot surfaces and the kinetics of coalescence and aggregation exhibit dominant effects on the detailed and global soot properties for the flame studied, in agreement with conclusions of a large range of previous modeling studies.

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Research Organization:: Energy Frontier Research Centers (EFRC) (United States). Combustion Energy Frontier Research Center (CEFRC)

Sponsoring Organization:: USDOE Office of Science (SC), Basic Energy Sciences (BES)

Grant/Contract Number:: SC0001198; DESC0001198

OSTI ID:: 1369832

Alternate ID(s):: OSTI ID: 1246495

Journal Information:: Combustion and Flame, Vol. 162, Issue 9; Related Information: CEFRC partners with Princeton University (lead); Argonne National Laboratory; University of Connecticut; Cornell University; Massachusetts Institute of Technology; University of Minnesota; Sandia National Laboratories; University of Southern California; Stanford University; University of Wisconsin, Madison; ISSN 0010-2180

Publisher:: ElsevierCopyright Statement

Country of Publication:: United States

Language:: English

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Cited by: 143 works

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37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY
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Title: Kinetic modeling of particle size distribution of soot in a premixed burner-stabilized stagnation ethylene flame

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