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Author : Zoran M. Djurisic
Publisher :
ISBN 13 :
Total Pages : 434 pages
Book Rating : 4.:/5 (449 download)
Download or read book Detailed Kinetic Modeling of Benzene and Toluene Oxidation at High Temperatures written by Zoran M. Djurisic and published by . This book was released on 1999 with total page 434 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Author : Allen G. McLain
Publisher :
ISBN 13 :
Total Pages : 34 pages
Book Rating : 4.:/5 (317 download)
Download or read book Chemical Kinetic Modeling of Benzene and Toluene Oxidation Behind Shock Waves written by Allen G. McLain and published by . This book was released on 1979 with total page 34 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Author :
Publisher :
ISBN 13 :
Total Pages : 84 pages
Book Rating : 4.:/5 (727 download)
Download or read book A Detailed Kinetic Modeling Study of Toluene Oxidation in a Premixed Laminar Flame written by and published by . This book was released on 2009 with total page 84 pages. Available in PDF, EPUB and Kindle. Book excerpt: An improved chemical kinetic model for the toluene oxidation based on experimental data obtained in a premixed laminar low-pressure flame with vacuum ultraviolet (VUV) photoionization and molecular beam mass spectrometry (MBMS) techniques has been proposed. The present mechanism consists of 273 species up to chrysene and 1740 reactions. The rate constants of reactions of toluene, decomposition, reaction with oxygen, ipso-additions and metatheses with abstraction of phenylic H-atom are updated; new pathways of C4 + C2 species giving benzene and fulvene are added. Based on the experimental observations, combustion intermediates such as fulvenallene, naphtol, methylnaphthalene, acenaphthylene, 2-ethynylnaphthalene, phenanthrene, anthracene, 1-methylphenanthrene, pyrene and chrysene are involved in the present mechanism. The final toluene model leads to an overall satisfactory agreement between the experimentally observed and predicted mole fraction profiles for the major products and most combustion intermediates. The toluene depletion is governed by metathese giving benzyl radicals, ipso-addition forming benzene and metatheses leading to C6H4CH3 radicals. A sensitivity analysis indicates that the unimolecular decomposition via the cleavage of a C-H bond has a strong inhibiting effect, while decomposition via C-C bond breaking, ipso-addition of H-atom to toluene, decomposition of benzyl radicals and reactions related to C6H4CH3 radicals have promoting effect for the consumption of toluene. Moreover, flow rate analysis is performed to illustrate the formation pathways of mono- and polycyclic aromatics.
Author : David A. Bittker
Publisher :
ISBN 13 :
Total Pages : 52 pages
Book Rating : 4.:/5 (317 download)
Download or read book Oxidation Mechanisms of Toluene and Benzene written by David A. Bittker and published by . This book was released on 1995 with total page 52 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Author :
Publisher :
ISBN 13 :
Total Pages : 35 pages
Book Rating : 4.:/5 (727 download)
Download or read book A Kinetic Modeling Study on the Oxidation of Primary Reference Fuel?Toluene Mixtures Including Cross Reactions Between Aromatics and Aliphatics written by and published by . This book was released on 2008 with total page 35 pages. Available in PDF, EPUB and Kindle. Book excerpt: A detailed chemical kinetic model for the mixtures of Primary Reference Fuel (PRF: n-heptane and iso-octane) and toluene has been proposed. This model is divided into three parts; a PRF mechanism [T. Ogura et al., Energy & Fuels 21 (2007) 3233-3239], toluene sub-mechanism and cross reactions between PRF and toluene. Toluene sub-mechanism includes the low temperature kinetics relevant to engine conditions. A chemical kinetic mechanism proposed by Pitz et al. [Proc. the 2nd Joint Meeting of the U.S. Combust. Institute (2001)] was used as a starting model and modified by updating rate coefficients. Theoretical estimations of rate coefficients were performed for toluene and benzyl radical reactions important at low temperatures. Cross-reactions between alkane, alkene, and aromatics were also included in order to account for the acceleration by the addition of toluene into iso-octane recently found in the shock tube study of the ignition delay [Y. Sakai et al, SAE 2007-01-4014 (2007)]. Validations of the model were performed with existing shock tube and flow tube data. The model well predicts the ignition characteristics of toluene and PRF/Toluene mixtures under the wide range of temperatures (500-1700 K) and pressures (2-50 atm). It is found that reactions of benzyl radical with oxygen molecule determine the reactivity of toluene at low temperature. Although the effect of toluene addition to iso-octane is not fully resolved, the reactions of alkene with benzyl radical have the possibility to account for the kinetic interactions between PRF and toluene.
Author :
Publisher :
ISBN 13 :
Total Pages : 8 pages
Book Rating : 4.:/5 (727 download)
Download or read book Kinetic Modeling of Toluene Oxidation for Surrogate Fuel Applications written by and published by . This book was released on 2009 with total page 8 pages. Available in PDF, EPUB and Kindle. Book excerpt: New environmental issues, like the effect of combustion-generated greenhouse gases, provide motivation to better characterize oxidation of hydrocarbons. Transportation, in particular, significantly contributes to energy consumption and CO2 emissions. Kinetic studies about the combustion of fuels under conditions typical of internal combustion engines provides important support to improve mechanism formulation and to eventually provide better computational tools that can be used to increase the engine performance. It is foreseeable that at least in the next 30 years the main transportation fuels will be either gasoline or diesel. Unfortunately, these fuels are very complex mixtures of many components. Moreover, their specifications and performance requirements significantly change the composition of these fuels: gasoline and diesel mixtures are different if coming from different refineries or they are different from winter to summer. At the same time a fuel with a well defined and reproducible composition is needed for both experimental and modeling work. In response to these issues, surrogate fuels are proposed. Surrogate fuels are defined as mixtures of a small number of hydrocarbons whose relative concentrations is adjusted in order to approximate the chemical and physical properties of a real fuel. Surrogate fuels are then very useful both for the design of reproducible experimental tests and also for the development of reliable kinetic models. The primary reference fuels (PRF) are a typical and old example of surrogate fuel: n-heptane and iso-octane mixtures are used to reproduce antiknock propensity of complex mixtures contained in a gasoline. PRFs are not able to surrogate gasoline in operating conditions different from standard ones and new surrogates have been recently proposed. Toluene is included in all of them as a species able to represent the behavior of aromatic compounds. On the other side, the toluene oxidation chemistry is not so well established and uncertainties still remain in the mechanism. This is especially true in the low temperature regime (
Author :
Publisher : Elsevier
ISBN 13 : 0444640886
Total Pages : 1034 pages
Book Rating : 4.4/5 (446 download)
Download or read book Mathematical Modelling of Gas-Phase Complex Reaction Systems: Pyrolysis and Combustion written by and published by Elsevier. This book was released on 2019-06-06 with total page 1034 pages. Available in PDF, EPUB and Kindle. Book excerpt: 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
Author : National Aeronautics and Space Administration (NASA)
Publisher : Createspace Independent Publishing Platform
ISBN 13 : 9781722469542
Total Pages : 48 pages
Book Rating : 4.4/5 (695 download)
Download or read book Oxidation Mechanisms of Toluene and Benzene written by National Aeronautics and Space Administration (NASA) and published by Createspace Independent Publishing Platform. This book was released on 2018-07-09 with total page 48 pages. Available in PDF, EPUB and Kindle. Book excerpt: An expanded and improved version of a previously published benzene oxidation mechanism is presented and shown to model published experimental data fairly successfully. This benzene submodel is coupled to a modified version of a toluene oxidation submodel from the recent literature. This complete mechanism is shown to successfully model published experimental toluene oxidation data for a highly mixed flow reactor and for higher temperature ignition delay times in a shock tube. A comprehensive sensitivity analysis showing the most important reactions is presented for both the benzene and toluene reacting systems. The NASA Lewis toluene mechanism's modeling capability is found to be equivalent to that of the previously published mechanism which contains a somewhat different benzene submodel. Bittker, David A. Glenn Research Center RTOP 505-62-52...
Author : Andrea D'Anna
Publisher : KIT Scientific Publishing
ISBN 13 : 3866444419
Total Pages : 754 pages
Book Rating : 4.8/5 (664 download)
Download or read book Combustion Generated Fine Carbonaceous Particles written by Andrea D'Anna and published by KIT Scientific Publishing. This book was released on 2014-08-13 with total page 754 pages. Available in PDF, EPUB and Kindle. Book excerpt: 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.
Author : Zhandong Wang
Publisher : Springer
ISBN 13 : 9811056935
Total Pages : 225 pages
Book Rating : 4.8/5 (11 download)
Download or read book Experimental and Kinetic Modeling Study of Cyclohexane and Its Mono-alkylated Derivatives Combustion written by Zhandong Wang and published by Springer. This book was released on 2018-01-23 with total page 225 pages. Available in PDF, EPUB and Kindle. Book excerpt: 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.
Author : Allen G. McLain
Publisher :
ISBN 13 :
Total Pages : 32 pages
Book Rating : 4.:/5 (31 download)
Download or read book Chemical Kinetic Modeling of Benzene and Toluene Oxidation Behind Shock Waves written by Allen G. McLain and published by . This book was released on 1979 with total page 32 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Author :
Publisher :
ISBN 13 :
Total Pages : 316 pages
Book Rating : 4.:/5 (3 download)
Download or read book Scientific and Technical Aerospace Reports written by and published by . This book was released on 1992 with total page 316 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Author : Rakesh Kumar Maurya
Publisher : Springer
ISBN 13 : 3319685082
Total Pages : 553 pages
Book Rating : 4.3/5 (196 download)
Download or read book Characteristics and Control of Low Temperature Combustion Engines written by Rakesh Kumar Maurya and published by Springer. This book was released on 2017-11-03 with total page 553 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book deals with novel advanced engine combustion technologies having potential of high fuel conversion efficiency along with ultralow NOx and particulate matter (PM) emissions. It offers insight into advanced combustion modes for efficient utilization of gasoline like fuels. Fundamentals of various advanced low temperature combustion (LTC) systems such as HCCI, PCCI, PPC and RCCI engines and their fuel quality requirements are also discussed. Detailed performance, combustion and emissions characteristics of futuristic engine technologies such as PPC and RCCI employing conventional as well as alternative fuels are analyzed and discussed. Special emphasis is placed on soot particle number emission characterization, high load limiting constraints, and fuel effects on combustion characteristics in LTC engines. For closed loop combustion control of LTC engines, sensors, actuators and control strategies are also discussed. The book should prove useful to a broad audience, including graduate students, researchers, and professionals Offers novel technologies for improved and efficient utilization of gasoline like fuels; Deals with most advanced and futuristic engine combustion modes such as PPC and RCCI; Comprehensible presentation of the performance, combustion and emissions characteristics of low temperature combustion (LTC) engines; Deals with closed loop combustion control of advanced LTC engines; State-of-the-art technology book that concisely summarizes the recent advancements in LTC technology. .
Author : Keli Han
Publisher : Royal Society of Chemistry
ISBN 13 : 1849736502
Total Pages : 592 pages
Book Rating : 4.8/5 (497 download)
Download or read book Reaction Rate Constant Computations written by Keli Han and published by Royal Society of Chemistry. This book was released on 2014 with total page 592 pages. Available in PDF, EPUB and Kindle. Book excerpt: The reaction rate constant plays an essential role a wide range of processes in biology, chemistry and physics. Calculating the reaction rate constant provides considerable understanding to a reaction and this book presents the latest thinking in modern rate computational theory. The editors have more than 30 years' experience in researching the theoretical computation of chemical reaction rate constants by global dynamics and transition state theories and have brought together a global pool of expertise discussing these in a variety of contexts and across all phases. This thorough treatment of the subject provides an essential handbook to students and researchers entering the field and a comprehensive reference to established practitioners across the sciences, providing better tools to determining reaction rate constants.
Author : Christian Vovelle
Publisher : Springer Science & Business Media
ISBN 13 : 9401142491
Total Pages : 338 pages
Book Rating : 4.4/5 (11 download)
Download or read book Pollutants from Combustion written by Christian Vovelle and published by Springer Science & Business Media. This book was released on 2013-11-11 with total page 338 pages. Available in PDF, EPUB and Kindle. Book excerpt: This volume is based on the lectures presented at the NATO Advanced Study Institute: (ASI) «Pollutants Formation from Combustion. Formation Mechanisms and Impact on th th Atmospheric Chemistry» held in Maratea, Italy, from 13 to 26 september 1998. Preservation of the environment is of increasing concern in individual countries but also at continental or world scales. The structure of a NATO ASI which involve lecturers and participants of different nationalities was thought as especially well suited to address environmental issues. As combustion is known to substantially contribute to the damaging of the atmosphere, it was natural to concentrate the ASI program on reviewing the currently available knowledge of the formation mechanisms of the main pollutants liberated by combustion systems. In most situations, pollutants are present as trace components and their formation and removal is strongly conditioned by the chemical reactions initiated by fuel consumption. Therefore specific lectures were aimed at defining precisely the general properties of combustion chemistry for gaseous, liquid and solid fuels. Physical factors can strongly affect the combustion chemistry and their influence was also considered. An interesting peculiarity of this specific ASI was to complement the program with a substantial part concerned with the impact of the main combustion pollutants: NOx, aromatics, soot, VOCs, sulphur and chlorinated compounds, on atmospheric chemistry.
Author : Shenghui Qin
Publisher :
ISBN 13 :
Total Pages : 71 pages
Book Rating : 4.:/5 (123 download)
Download or read book Chemical Kinetic Reaction Mechanism Study for Autoignition of N-heptane Blend with Toluene and 1,3-cycloheptadiene written by Shenghui Qin and published by . This book was released on 2020 with total page 71 pages. Available in PDF, EPUB and Kindle. Book excerpt: "Fossil fuel combustion is still a significant source of world energy consumption, and with the continuous development of society, human demand for energy is growing. The internal combustion engine is widely used for transportation, and its energy source is fuel combustion. The internal combustion engine has the advantage of high thermal efficiency, low cost, and a wide range of power. Improving combustion efficiency and reducing the emission of the internal combustion engine is considered a fundamental goal by combustion-related researchers all over the world. Three-component (n-heptane, iso-octane, and toluene) blended Toluene Reference Fuels (TRF) are widely used for modeling gasoline combustion. Since the detailed fuel surrogate mechanism is complicated, we study the chemical kinetic behavior of the blend of toluene and n-heptane to reduce the difficulty. This thesis discusses the construction of the kinetic reaction mechanisms of toluene, n-heptane, 1,3-cycloheptadiene (CHPD), and their blends. The study regarding CHPD is to compare the resonance stabilization of the allylic and benzylic structures. Macroscopically, the proposed models are then validated using ignition delay times across a wide range of experimental conditions from the literature and are compared with existing models. The validation and comparison results show that our proposed model is reasonably accurate. Then this thesis conducts the reaction pathway analysis and elaborates on the oxidation pathway of CHPD, n-heptane, and toluene. What is more, the sensitivity analysis combines the rate of production analysis to show the most sensitive and vital reactions in target fuel oxidation. Regarding the blended fuels, this study finds that CHPD boosts n-heptane oxidation while toluene inhibits the oxidation. CHPD is more active than n-heptane in competing for oxygen, while toluene acts like an inert when the temperature is lower than 850 K. At higher temperatures, more toluene oxidation pathways are available, and the benzene ring will open more easily, so toluene will not inhibit the overall reactivity. With higher initial pressures and higher equivalence ratios, negative temperature coefficient regions are more profound for all species and their blends. The ignition delay trend of a blended fuel will be close to the fuel which constitutes a significant portion of the mixture"--Author's abstract.
Author :
Publisher :
ISBN 13 :
Total Pages : 21 pages
Book Rating : 4.:/5 (727 download)
Download or read book Chemical Kinetic Study of the Oxidation of Toluene and Related Cyclic Compounds written by and published by . This book was released on 2009 with total page 21 pages. Available in PDF, EPUB and Kindle. Book excerpt: Chemical kinetic models of hydrocarbons found in transportation fuels are needed to simulate combustion in engines and to improve engine performance. The study of the combustion of practical fuels, however, has to deal with their complex compositions, which generally involve hundreds of compounds. To provide a simplified approach for practical fuels, surrogate fuels including few relevant components are used instead of including all components. Among those components, toluene, the simplest of the alkyl benzenes, is one of the most prevalent aromatic compounds in gasoline in the U.S. (up to 30%) and is a promising candidate for formulating gasoline surrogates. Unfortunately, even though the combustion of aromatics been studied for a long time, the oxidation processes relevant to this class of compounds are still matter of discussion. In this work, the combustion of toluene is systematically approached through the analysis of the kinetics of some important intermediates contained in its kinetic submechanism. After discussing the combustion chemistry of cyclopentadiene, benzene, phenol and, finally, of toluene, the model is validated against literature experimental data over a wide range of operating conditions.
