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Author Wang, Zhandong, author

Title Experimental and kinetic modeling study of cyclohexane and its mono-alkylated derivatives combustion / Zhandong Wang
Published Singapore : Springer, 2018

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Description 1 online resource
Series Springer theses
Springer theses.
Contents Intro; Supervisorâ#x80;#x99;s Foreword; Parts of this thesis have been published in the following journals: Z. Wang, Z. Cheng, W. Yuan, J. Cai, L. Zhang, F. Zhang, F. Qi, J. Wang, Combust. Flame 159 (2012) 2243â#x80;#x93;2253.F. Zhang, Z.D. Wang, Z.H. Wang, L.D. Zhang, Y.Y. Li, F. Qi, Energy Fuels 27 (2013) 1679â#x80;#x93;1687.Z. Wang, L. Ye, W. Yuan, L. Zhang, Y. Wang, Z. Cheng, F. Zhang, F. Qi, Combust. Flame 161 (2014) 84â#x80;#x93;100.Z. Wang, H. Bian, Y. Wang, L. Zhang, Y. Li, F. Zhang, F. Qi, Proc. Combust. Inst. 35 (2015) 367â#x80;#x93;375.Z. Wang, L. Zhao, ; Acknowledgements; Contents; 1 Introduction; 1.1 Background
1.2 Diagnostics of Laboratory Combustion System1.2.1 In Situ Optical Spectroscopy; 1.2.2 Product Analysis After Gas-Sampling; 1.3 Fossil Fuel Surrogates; 1.3.1 Surrogates for Gasoline; 1.3.2 Surrogates for Jet Fuel; 1.3.3 Surrogates for Diesel; 1.4 Research on Cycloalkane Fuels; 1.5 Thesis Content; References; 2 Experimental Method and Kinetic Modeling; 2.1 Experimental Method; 2.1.1 Synchrotron Radiation Beamline; 2.1.2 Flow Reactor Pyrolysis Apparatus; 2.1.2.1 Configuration of the Flow Reactor; 2.1.2.2 Temperature Distribution Along the Centerline of the Reactor; 2.1.2.3 Injection System
2.1.2.4 Sampling System2.1.2.5 Experimental Mode and Data Evaluation; 2.1.3 Low-Pressure Laminar Premixed Flame; 2.1.3.1 Experimental Setup; 2.1.3.2 Experimental Mode and Data Evaluation; 2.2 Kinetic Modeling; 2.2.1 Thermodynamic Data; 2.2.2 Chemical Kinetic Data; 2.2.3 Transport Data; References; 3 Experimental and Modeling Study of Cyclohexane Combustion; 3.1 Background; 3.2 Kinetic Model; 3.2.1 Unimolecular Decomposition and Isomerization of Cyclohexane; 3.2.2 Dissociation of 1-Hexene; 3.2.3 H-atom Abstraction of Cyclohexane; 3.2.4 Decomposition and Isomerization of Cyclohexyl Radical
3.2.5 Decomposition and Isomerization of 5-Hexen-1-yl Radical3.2.6 Decomposition and Dehydrogenation of Cyclohexene; 3.3 Flow Reactor Pyrolysis of Cyclohexane; 3.3.1 Consumption of Cyclohexane; 3.3.2 Formation and Consumption of Cyclopentadiene and Benzene; 3.4 Laminar Premixed Flame of Cyclohexane; 3.5 JSR Oxidation of Cyclohexane; 3.6 Ignition Delay Time and Laminar Flame Speed of Cyclohexane; 3.7 Summary and Conclusions; References; 4 Experimental and Modeling Study of Methylcyclohexane Combustion; 4.1 Background; 4.2 Decomposition and Isomerization of Methylcyclohexane
4.2.1 Theoretical Method4.2.2 Results and Discussion; 4.2.2.1 Potential Energy Surface; 4.2.2.2 Rate Constants Calculation; 4.3 H-atom Abstraction of Methylcyclohexane; 4.4 Unimolecular Reactions of Methylcyclohexane Radicals; 4.5 Estimation of Thermodynamic Data; 4.6 Kinetic Model for Methylcyclohexane Combustion; 4.7 Flow Reactor Pyrolysis; 4.7.1 Consumption of Methylcyclohexane; 4.7.2 Isomerization of Cyclohexyl Radical and Methylcyclohexane Radicals; 4.7.3 Dissociation of Cyclohexyl and Methylcyclohexane Radicals; 4.7.4 Reaction Pathway Analysis for Toluene and Benzene
Summary 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
Notes Doctoral thesis accepted by the University of Science and Technology of China, Hefei, China
Bibliography Includes bibliographical references and index
Notes Vendor-supplied metadata
Subject Thermodynamics.
Combustion engineering.
Cyclohexane.
Cycloalkanes.
Heat -- Transmission.
Mass transfer.
Thermodynamics
Cyclohexanes
Cycloparaffins
thermodynamics.
heat transmission.
TECHNOLOGY & ENGINEERING -- Mechanical.
Combustion engineering
Cycloalkanes
Cyclohexane
Heat -- Transmission
Mass transfer
Thermodynamics
Genre/Form dissertations.
Academic theses
Academic theses.
Thèses et écrits académiques.
Form Electronic book
ISBN 9789811056932
9811056935