Investigation of the Hierarchical Structure of Kinetic Models in Ignition Problems
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Abstract
In this paper a novel method for global analysis of chemical kinetic models is discussed and applied to auto ignition of high hydrocarbons. It is mainly based on the concept of decomposition of motions and follows major steps of the ILDM method. However, a very important difference of the suggested method is its ability of an explicit and global representation of the system decomposition as a standard singular perturbed system (SPS). The fact that the ILDM provides local information about the decomposition makes the ILDM quite accurate in description of the slow system dynamics, but for fast motions, which become very important in the context of ignition/extinction problems, there are up to now no reliable methods based on ILDM. Therefore, the current work is devoted to developing such a method which can be used efficiently for global analysis of the reaction mechanisms with subsequent formulation of explicit reduced models for unsteady combustion regimes like ignition processes. The suggested method is illustrated by a simple Lindemann kinetic model and then applied successfully to the auto ignition of a homogeneous n-heptane/air system.
© by Oldenbourg Wissenschaftsverlag, München, Germany
Artikel in diesem Heft
- Preface
- Towards Simplified Thermal and Specific Rigidity Factors for Ion-Molecule Reactions and Ion Fragmentations
- Chemistry and Microphysics of Atmospheric Aerosol Surfaces: Laboratory Techniques and Applications
- The Products of the Reactions of o-Benzyne with Ethene, Propene, and Acetylene: A Combined Mass Spectrometric and Quantum Chemical Study
- CH2Cl and CHCl2 Radical Chemistry: The Formation by the Reactions CH3Cl + F and CH2Cl2 + F and The Destruction by the Reactions CH2Cl + O and CHCl2 + O
- Formation of H-atoms in the Pyrolysis of 1,3-butadiene and 2-butyne: A Shock Tube and Modelling Study
- High-level Ab-initio Calculations for Astrochemically Relevant Polyynes (HC2nH), their Isomers (C2nH2) and their Anions (C2nH−)
- Investigation of the Hierarchical Structure of Kinetic Models in Ignition Problems
- Laser Diagnostics for the Model Development in Turbulent Premixed Flames
- Sampling Probe Influences on Temperature and Species Concentrations in Molecular Beam Mass Spectroscopic Investigations of Flat Premixed Low-pressure Flames
- Shock-Tube Study of the Reactions of Hydrogen Atoms with Benzene and Phenyl Radicals
- The Generation of a Compact n-Heptane / Toluene Reaction Mechanism Using the Chemistry Guided Reduction (CGR) Technique
- Modeling of Rich Premixed C2H4/O2/Ar and C2H4/Dimethoxymethane/O2/Ar Flames
- Conformation and Aggregation of Proline Esters and Their Aromatic Homologs: Pyramidal vs. Planar RR´N-H in Hydrogen Bonds
- A Two-equation Model to Simulate Soot Formation under Shock-tube Conditions
- CO Formation in the 254 nm Gas Phase Photolysis of Nitrosobenzene-Oxygen Mixtures at Room Temperature
- Experimental and Numerical Investigation of Fe(CO)5 Addition to a Laminar Premixed Hydrogen/Oxygen/Argon Flame
- Structures of Laminar Methane/Nitrogen/Oxygen, Methane/Oxygen and Methane/Liquid Oxygen Counterflow Flames for Cryogenic Conditions and Elevated Pressures
Artikel in diesem Heft
- Preface
- Towards Simplified Thermal and Specific Rigidity Factors for Ion-Molecule Reactions and Ion Fragmentations
- Chemistry and Microphysics of Atmospheric Aerosol Surfaces: Laboratory Techniques and Applications
- The Products of the Reactions of o-Benzyne with Ethene, Propene, and Acetylene: A Combined Mass Spectrometric and Quantum Chemical Study
- CH2Cl and CHCl2 Radical Chemistry: The Formation by the Reactions CH3Cl + F and CH2Cl2 + F and The Destruction by the Reactions CH2Cl + O and CHCl2 + O
- Formation of H-atoms in the Pyrolysis of 1,3-butadiene and 2-butyne: A Shock Tube and Modelling Study
- High-level Ab-initio Calculations for Astrochemically Relevant Polyynes (HC2nH), their Isomers (C2nH2) and their Anions (C2nH−)
- Investigation of the Hierarchical Structure of Kinetic Models in Ignition Problems
- Laser Diagnostics for the Model Development in Turbulent Premixed Flames
- Sampling Probe Influences on Temperature and Species Concentrations in Molecular Beam Mass Spectroscopic Investigations of Flat Premixed Low-pressure Flames
- Shock-Tube Study of the Reactions of Hydrogen Atoms with Benzene and Phenyl Radicals
- The Generation of a Compact n-Heptane / Toluene Reaction Mechanism Using the Chemistry Guided Reduction (CGR) Technique
- Modeling of Rich Premixed C2H4/O2/Ar and C2H4/Dimethoxymethane/O2/Ar Flames
- Conformation and Aggregation of Proline Esters and Their Aromatic Homologs: Pyramidal vs. Planar RR´N-H in Hydrogen Bonds
- A Two-equation Model to Simulate Soot Formation under Shock-tube Conditions
- CO Formation in the 254 nm Gas Phase Photolysis of Nitrosobenzene-Oxygen Mixtures at Room Temperature
- Experimental and Numerical Investigation of Fe(CO)5 Addition to a Laminar Premixed Hydrogen/Oxygen/Argon Flame
- Structures of Laminar Methane/Nitrogen/Oxygen, Methane/Oxygen and Methane/Liquid Oxygen Counterflow Flames for Cryogenic Conditions and Elevated Pressures
