Experimental and Modeling Investigation of Aromatic and Polycyclic Aromatic Hydrocarbon Formation in a Premixed Ethylene Flame
Title | Experimental and Modeling Investigation of Aromatic and Polycyclic Aromatic Hydrocarbon Formation in a Premixed Ethylene Flame PDF eBook |
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Pages | 30 |
Release | 1996 |
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Experimental and detailed chemical kinetic modeling has been performed to investigate aromatic and polyaromatic hydrocarbon formation pathways in a rich, sooting, ethylene-oxygen-argon premixed flame. An atmospheric pressure, laminar flat flame operated at an equivalence ratio of 2.5 was used to acquire experimental data for model validation. Gas composition analysis was conducted by an on-line gas chromatograph/mass spectrometer (GC/MS) technique. Measurements were made in the flame and post-flame zone for a number of low molecular weight species, aliphatics, aromatics and polycyclic aromatic hydrocarbons (PAHs) ranging from two to five-aromatic fused rings. The modeling results show the key reaction sequences leading to aromatic and polycyclic aromatic hydrocarbon growth involve the combination of resonantly stabilized radicals. In particular, propargyl and 1-methylallenyl combination reactions lead to benzene and methyl substituted benzene formation, while polycyclic aromatics are formed from cyclopentadienyl radicals and fused rings that have a shared C5 side structure. Naphthalene production through the reaction step of cyclopentadienyl self-combination and phenanthrene formation from indenyl and cyclopentadienyl combination were shown to be important in the flame modeling study. The removal of phenyl by O2 leading to cyclopentadienyl formation is expected to play a pivotal role in the PAH or soot precursor growth process under fuel-rich oxidation conditions.
Experiment and Modeling Combined Kinetic Study of Bottom-up Polycyclic Aromatic Hydrocarbon Formations
Title | Experiment and Modeling Combined Kinetic Study of Bottom-up Polycyclic Aromatic Hydrocarbon Formations PDF eBook |
Author | Jeehyun Yang |
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Pages | 0 |
Release | 2022 |
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In chapter 4, preliminary kinetic modeling of the PAH formation of toluene (+benzene) pyrolysis at one experimental condition (1467 K, 10.02 Torr, up to 0.56 s) is reported to describe major product peaks observed from Shukla et al86. using the reaction mechanism generator.37 Chapter 5 shows a recommended future application of the knowledge learned from this thesis to astrochemistry. Overall, the studies here show a successful investigation of bottom-up PAH formation through experimental and theoretical approaches.
Experimental and Kinetic Modeling Study of Cyclohexane and Its Mono-alkylated Derivatives Combustion
Title | Experimental and Kinetic Modeling Study of Cyclohexane and Its Mono-alkylated Derivatives Combustion PDF eBook |
Author | Zhandong Wang |
Publisher | Springer |
Pages | 225 |
Release | 2018-01-23 |
Genre | Science |
ISBN | 9811056935 |
This thesis investigates the combustion chemistry of cyclohexane, methylcyclohexane, and ethylcyclohexane on the basis of state-of-the-art synchrotron radiation photoionization mass spectrometry experiments, quantum chemistry calculations, and extensive kinetic modeling. It explores the initial decomposition mechanism and distribution of the intermediates, proposes a novel formation mechanism of aromatics, and develops a detailed kinetic model to predict the three cycloalkanes’ combustion properties under a wide range of conditions. Accordingly, the thesis provides an essential basis for studying much more complex cycloalkanes in transport fuels and has applications in engine and fuel design, as well as emission control.
The Formation of Polycyclic Aromatic Hydrocarbons in Rich Premixed Oxy-acteylene and Oxy-ethylene Flames
Title | The Formation of Polycyclic Aromatic Hydrocarbons in Rich Premixed Oxy-acteylene and Oxy-ethylene Flames PDF eBook |
Author | B. D. Crittenden |
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Pages | |
Release | 1972 |
Genre | Aromatic compounds |
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43rd AIAA Aerospace Sciences Meeting & Exhibit
Title | 43rd AIAA Aerospace Sciences Meeting & Exhibit PDF eBook |
Author | |
Publisher | |
Pages | 546 |
Release | 2005 |
Genre | Aeronautics |
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Scramjet Propulsion
Title | Scramjet Propulsion PDF eBook |
Author | E. T. Curran |
Publisher | AIAA |
Pages | 1354 |
Release | 2001 |
Genre | Airplanes |
ISBN | 9781600864414 |
Joint Meeting of the U.S. Sections of the Combustion Institute, Western States, Central States, Eastern States
Title | Joint Meeting of the U.S. Sections of the Combustion Institute, Western States, Central States, Eastern States PDF eBook |
Author | |
Publisher | |
Pages | 954 |
Release | 1999 |
Genre | Combustion |
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