Modeling the rich combustion of aliphatic hydrocarbons

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Publication Type journal article
Research Institute Institute for Clean and Secure Energy (ICSE)
Author D'Anna, A.; Violi, A.; D'Alessio, A.
Title Modeling the rich combustion of aliphatic hydrocarbons
Date 2000
Description A new kinetic mechanism has been developed for the formation of benzene and high-molecular-mass aromatic compounds in rich flames of aliphatic hydrocarbons. The kinetic scheme emphasizes both the role of resonantly stabilized radicals in the growth of aromatics and the standard acetylene addition mechanism. The model has been used to simulate premixed flames of acetylene and ethylene where the concentrations of radicals and high-molecular-mass compounds are known. The kinetic scheme accurately reproduces the concentrations and trends of radicals and stable species including benzene and total aromatic compounds. Formation of benzene is controlled by propargyl radical combination. The model reproduces well the profiles of benzene for the different hydrocarbons and in the different operating conditions. Key reactions in the formation of highmolecular- mass aromatics are the combinations of resonantly stabilized radicals, including cyclopentadienyl self-combination, propargyl addition to benzyl radicals, and the sequential addition of propargyl radicals to aromatic rings. The predicted amounts of total aromatic compounds increase at the flame front and remain constant in the postoxidation zone of the flames, attaining the final concentrations of soot, in slightly-sooting conditions. As a consequence, the carbonaceous species which contribute to soot formation are already present at the flame front as high-molecular-mass structures. Soot is formed through dehydrogenation and aromatization of the high-molecular-mass compounds, rather than by surface growth.
Type Text
Publisher Elsevier Science, Ltd.
Subject rich combustion; aliphatic hydrocarbons; kinetic mechanism; benzene formation; high-molecular-mass aromatic compounds
Language eng
Bibliographic Citation D'Anna, A.; D'Alessio, A.; Violi, A. (2000). Modeling the rich combustion of aliphatic hydrocarbons. Combustion and Flame, 121. pp. 418-429.
Relation Has Part Combustion and Flame; vol. 121, pp. 418-429 (2000)
Rights Management (c)Elsevier Science, Ltd.
Format Medium application/pdf
Format Extent 203,881 bytes
Identifier ir-eua/id/1440
Source DSpace at ICSE
ARK ark:/87278/s63n52g0
Setname ir_eua
ID 212658
Reference URL https://collections.lib.utah.edu/ark:/87278/s63n52g0