The Development Of A Detailed Chemical Kinetic Mechanism For Diisobutylene And Comparison To Shock Tube Ignition Times
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The Development Of A Detailed Chemical Kinetic Mechanism For Diisobutylene And Comparison To Shock Tube Ignition Times
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Author : W. J. Pitz
language : en
Publisher:
Release Date : 2005
The Development Of A Detailed Chemical Kinetic Mechanism For Diisobutylene And Comparison To Shock Tube Ignition Times written by W. J. Pitz and has been published by this book supported file pdf, txt, epub, kindle and other format this book has been release on 2005 with categories.
The Development Of A Detailed Chemical Kinetic Mechanism For Diisobutylene And Comparison To Shock Tube Ignition Times
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Author :
language : en
Publisher:
Release Date : 2005
The Development Of A Detailed Chemical Kinetic Mechanism For Diisobutylene And Comparison To Shock Tube Ignition Times written by and has been published by this book supported file pdf, txt, epub, kindle and other format this book has been release on 2005 with categories.
There is much demand for chemical kinetic models to represent practical fuels such as gasoline, diesel and aviation fuel. These blended fuels contain hundreds of components whose identity and amounts are often unknown. A chemical kinetic mechanism that would represent the oxidation of all these species with accompanying chemical reactions is intractable with current computational capabilities, chemical knowledge and manpower resources. The use of surrogate fuels is an approach to make the development of chemical kinetic mechanisms for practical fuels tractable. A surrogate fuel model consists of a small number of fuel components that can be used to represent the practical fuel and still predict desired characteristics of the practical fuel. These desired fuel characteristics may include ignition behavior, burning velocity, fuel viscosity, fuel vaporization, and fuel emissions (carbon monoxide, hydrocarbons, soot and nitric oxides). Gasoline consists of many different classes of hydrocarbons including n-alkanes, alkenes, iso-alkanes, cycloalkanes, cycloalkenes, and aromatics. One approach is to use a fuel surrogate that has a single component from each class of hydrocarbon in gasoline so that the unique molecular structure of each class is represented. This approach may lead to reliable predictions of many of the combustion properties of the practical fuel. In order to obtain a fuel surrogate mechanism, detailed chemical kinetic mechanisms must be developed for each component in the surrogate. In this study, a detailed chemical kinetic mechanism is developed for diisobutylene, a fuel intended to represent alkenes in practical fuels such as gasoline, diesel, and aviation fuel. The fuel component diisobutylene usually consists of a mixture of two conjugate olefins of iso-octane: 1- or 2-pentene, 2,4,4-trimethyl. Diisobutylene has a similar molecular structure to iso-octane, so that its kinetics offers insight into the effect of including a double bond in the carbon skeletal structure of iso-octane. There are few previous studies on diisobutylene. Kaiser et al. [1] examined the exhaust emission from a production spark ignition engine with neat diisobutylene and with it mixed with gasoline. They found the exhaust emissions of diisobutylene to be similar to that of iso-octane. They saw a significant increase in the amount of 2-methyl-1,3-butadiene measured in the exhaust of the engine. They also found appreciable amount of propene in the exhaust, but could not explain the source of this product as they did others in terms of C-C bond beta scission of alkyl radicals. Risberg et al. [2] studied a number of fuel blends to evaluate their autoignition quality for use in a homogeneous charge compression ignition engine, using diisobutylene to represent olefins in one of their test fuels. In this study, experiments on the shock tube ignition of both isomers of diisobutylene will be described. Then, the development of a detailed chemical kinetic mechanism for the two isomers of diisobutylene will be discussed.
Mathematical Modelling Of Gas Phase Complex Reaction Systems Pyrolysis And Combustion
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Author :
language : en
Publisher: Elsevier
Release Date : 2019-06-06
Mathematical Modelling Of Gas Phase Complex Reaction Systems Pyrolysis And Combustion written by and has been published by Elsevier this book supported file pdf, txt, epub, kindle and other format this book has been release on 2019-06-06 with Technology & Engineering categories.
Mathematical Modelling of Gas-Phase Complex Reaction Systems: Pyrolysis and Combustion, Volume 45, gives an overview of the different steps involved in the development and application of detailed kinetic mechanisms, mainly relating to pyrolysis and combustion processes. The book is divided into two parts that cover the chemistry and kinetic models and then the numerical and statistical methods. It offers a comprehensive coverage of the theory and tools needed, along with the steps necessary for practical and industrial applications. Details thermochemical properties and "ab initio" calculations of elementary reaction rates Details kinetic mechanisms of pyrolysis and combustion processes Explains experimental data for improving reaction models and for kinetic mechanisms assessment Describes surrogate fuels and molecular reconstruction of hydrocarbon liquid mixtures Describes pollutant formation in combustion systems Solves and validates the kinetic mechanisms using numerical and statistical methods Outlines optimal design of industrial burners and optimization and dynamic control of pyrolysis furnaces Outlines large eddy simulation of turbulent reacting flows
Chemical Kinetics Modeling Of The Influence Of Molecular Structure On Shock Tube Ignition Delay
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Author :
language : en
Publisher:
Release Date : 1985
Chemical Kinetics Modeling Of The Influence Of Molecular Structure On Shock Tube Ignition Delay written by and has been published by this book supported file pdf, txt, epub, kindle and other format this book has been release on 1985 with categories.
The current capabilities of kinetic modeling of hydrocarbon oxidation in shock waves are discussed. The influence of molecular size and structure on ignition delay times are stressed. The n-paraffin fuels from CH4 to n-C5H12 are examined under shock tube conditions, as well as the branched chain fuel isobutane, and the computed results are compared with available experimental data. The modeling results show that it is important in the reaction mechanism to distinguish between abstraction of primary, secondary and tertiary H atom sites from the fuel molecule. This is due to the fact that both the rates and the product distributions of the subsequent alkyl radical decomposition reactions depend on which H atoms were abstracted. Applications of the reaction mechanisms to shock tube problems and to other practical problems such as engine knock are discussed.
Joint Meeting Of The U S Sections Of The Combustion Institute Western States Central States Eastern States
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Author :
language : en
Publisher:
Release Date : 2005
Joint Meeting Of The U S Sections Of The Combustion Institute Western States Central States Eastern States written by and has been published by this book supported file pdf, txt, epub, kindle and other format this book has been release on 2005 with Combustion categories.
Ignition Delay Times And Structure Of Detonation Waves In Ch4 O2 N2 And H2 O2 N2 Mixtures
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Author :
language : en
Publisher:
Release Date : 1999
Ignition Delay Times And Structure Of Detonation Waves In Ch4 O2 N2 And H2 O2 N2 Mixtures written by and has been published by this book supported file pdf, txt, epub, kindle and other format this book has been release on 1999 with categories.
Simplified chemical-kinetic mechanisms and reduced chemical-kinetic mechanisms were developed for describing structure of the dark zone formed over the burning surface of double base and nitramine propellants. It is believed that ignition delays in large caliber gun ballistic cycles are related to the chemistry taking place in the dark zone. Ignition delay times calculated using the simplified mechanisms were found to agree well with those calculated using detailed chemical-kinetic mechanisms. The simplified mechanisms are expected to be useful in interior ballistics calculations. Reduced chemical-kinetic mechanisms were developed to calculate the structures of premixed and nonpremixed flames burning various hydrocarbon fields. Asymptotic analyses were performed using the reduced mechanisms. Burning velocities of premixed flames and critical conditions of extinction of nonpremixed flames were calculated using results of the asymptotic analyses. Simplified chemical-kinetic mechanisms were developed for calculating ignition delay times in combustible mixtures used in the Ram Accelerator. The results of all these studies are described in eight journal articles and five technical reports published in proceedings of technical meetings.
Homogeneous Charge Compression Ignition Engines 2007
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Author :
language : en
Publisher:
Release Date : 2007
Homogeneous Charge Compression Ignition Engines 2007 written by and has been published by this book supported file pdf, txt, epub, kindle and other format this book has been release on 2007 with Internal combustion engines categories.
Shock Tube Measurements Of Ignition Delay Times For N Decane And Decenes The Influence Of The Double Bond
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Author : Tianbo Xie
language : en
Publisher:
Release Date : 2016
Shock Tube Measurements Of Ignition Delay Times For N Decane And Decenes The Influence Of The Double Bond written by Tianbo Xie and has been published by this book supported file pdf, txt, epub, kindle and other format this book has been release on 2016 with categories.
The Mechanism And Kinetics For The Shock Induced Decomposition Of Ethylsilane Vinylsilane And Dimethylsilane
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Author : Steven Frederick Rickborn
language : en
Publisher:
Release Date : 1983
The Mechanism And Kinetics For The Shock Induced Decomposition Of Ethylsilane Vinylsilane And Dimethylsilane written by Steven Frederick Rickborn and has been published by this book supported file pdf, txt, epub, kindle and other format this book has been release on 1983 with Chemical kinetics categories.
Modeling And Experimental Investigation Of Methylcyclohexane Ignition In A Rapid Compression Machine
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Author : W. J. Pitz
language : en
Publisher:
Release Date : 2005
Modeling And Experimental Investigation Of Methylcyclohexane Ignition In A Rapid Compression Machine written by W. J. Pitz and has been published by this book supported file pdf, txt, epub, kindle and other format this book has been release on 2005 with categories.
A new mechanism for the oxidation of methylcyclohexane has been developed. The mechanism combined a newly-developed low temperature mechanism with a previously developed high temperature mechanism. Predictions from the chemical kinetic model have been compared to experimentally measured ignition delay times from a rapid compression machine. Predicted ignition delay times using the initial estimates of the methylcyclohexyl peroxy radical isomerization rate constants were much longer than those measured at low temperatures. The initial estimates of isomerization rate constants were modified based on the experimental findings of Gulati and Walker that indicate a much slower rate of isomerization. Predictions using the modified rate constants for isomerizations yielded faster ignition at lower temperatures that greatly improved the agreement between model predictions and the experimental data. These findings point to much slower isomerization rates for methylcyclohexyl peroxy radicals than previously expected.