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.
Detailed Chemical Kinetic Modeling of Cyclohexane Oxidation
Title | Detailed Chemical Kinetic Modeling of Cyclohexane Oxidation PDF eBook |
Author | |
Publisher | |
Pages | 60 |
Release | 2006 |
Genre | |
ISBN |
A detailed chemical kinetic mechanism has been developed and used to study the oxidation of cyclohexane at both low and high temperatures. Reaction rate constant rules are developed for the low temperature combustion of cyclohexane. These rules can be used for in chemical kinetic mechanisms for other cycloalkanes. Since cyclohexane produces only one type of cyclohexyl radical, much of the low temperature chemistry of cyclohexane is described in terms of one potential energy diagram showing the reaction of cyclohexyl radical + O2 through five, six and seven membered ring transition states. The direct elimination of cyclohexene and HO2 from RO2 is included in the treatment using a modified rate constant of Cavallotti et al. Published and unpublished data from the Lille rapid compression machine, as well as jet-stirred reactor data are used to validate the mechanism. The effect of heat loss is included in the simulations, an improvement on previous studies on cyclohexane. Calculations indicated that the production of 1,2-epoxycyclohexane observed in the experiments can not be simulated based on the current understanding of low temperature chemistry. Possible 'alternative' H-atom isomerizations leading to different products from the parent O2QOOH radical were included in the low temperature chemical kinetic mechanism and were found to play a significant role.
Thermochemical Kinetics
Title | Thermochemical Kinetics PDF eBook |
Author | Sidney William Benson |
Publisher | |
Pages | 344 |
Release | 1976 |
Genre | Science |
ISBN |
Fuel Abstracts and Current Titles
Title | Fuel Abstracts and Current Titles PDF eBook |
Author | |
Publisher | |
Pages | 296 |
Release | 1968 |
Genre | Fuel |
ISBN |
Combustion Generated Fine Carbonaceous Particles
Title | Combustion Generated Fine Carbonaceous Particles PDF eBook |
Author | Andrea D'Anna |
Publisher | KIT Scientific Publishing |
Pages | 754 |
Release | 2014-08-13 |
Genre | Technology & Engineering |
ISBN | 3866444419 |
Soot is of importance for its contribution to atmospheric particles with their adverse health impacts and for its contributions to heat transfer in furnaces and combustors, to luminosity from candles, and to smoke that hinders escape from buildings during fires and that impacts global warming or cooling. The different chapters of the book adress comprehensively the different aspects from fundamental approaches to applications in technical combustion devices.
Nanocatalysis in Ionic Liquids
Title | Nanocatalysis in Ionic Liquids PDF eBook |
Author | Martin H. G. Prechtl |
Publisher | John Wiley & Sons |
Pages | 324 |
Release | 2017-01-17 |
Genre | Technology & Engineering |
ISBN | 3527339108 |
Edited and written by renowned experts in the field, this is the first book to reflect the state of the art of nanocatalysis in ionic liquids. Divided into two core areas, the first part of the book describes the different classes of metal nanoparticles as well as their synthesis in ionic liquids, while the second focuses on such emerging issues as the application of such systems to energy and biomass conversion.
Mathematical Modelling of Gas-Phase Complex Reaction Systems: Pyrolysis and Combustion
Title | Mathematical Modelling of Gas-Phase Complex Reaction Systems: Pyrolysis and Combustion PDF eBook |
Author | |
Publisher | Elsevier |
Pages | 1034 |
Release | 2019-06-21 |
Genre | Technology & Engineering |
ISBN | 0128195797 |
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