Principles of Combustion, 2nd EditionISBN: 9780471046899
760 pages
January 2005

Description
Table of Contents
Preface to the First Edition.
Introduction.
Importance of Combustion for Various Applications.
Related Constituent Disciplines for Combustion Studies.
General Method of Approach to Solving Combustion Problems.
General Objectives of Combustion Modeling.
Classification of Combustion Problems.
General Structure of a Theoretical Model.
Governing Equations for Combustion Modeling (Conservation & Transport Equations).
Some Common Assumptions Made In Combustion Models.
Several Basic Definitions
1. Review of Chemical Thermodynamics.
Nomenclatures.
1. Brief Statement of Thermodynamic Laws.
2. Equation of State.
3. Conservation of Mass.
4. The First Law of Thermodynamics; Conservation of Energy.
5. The Second Law of Thermodynamics.
5. 1 Equilibrium Thermodynamics.
5. 2 Nonequilibrium Thermodynamics.
6. Criteria for Equilibrium.
7. Conservation of Atomic Species.
8. Various Methods for ReactantFraction Specification.
8.1 Mole and Mass Fractions.
8.2 FuelOxidant and FuelAir Ratios.
8.3 Equivalence Ratio.
8.4 Mixture Fraction.
9. Standard Enthalpies of Formation.
10. Thermochemical Laws.
11. Relationship Between Bond Energies and Heats of Formation.
12. Heats of Reaction for ConstantPressure and ConstantVolume Combustion.
12.1 ConstantPressure Combustion.
12.2 ConstantVolume Combustion.
13. Energy Balance Considerations for Flame Temperature Calculations.
14. Equilibrium Constants.
15. RealGas Equations of State and Fugacity Calculation.
16. More Complicated Dissociation in the Combustion of Hydrocarbons.
17. The ClausiusClapeyron Equation for Phase Equilibrium.
18. Calculation of Equilibrium Compositions with NASA's CEA Computer Program.
18.1 Assumptions and Capabilities.
18.2 Equations Describing Chemical Equilibrium.
18.2.1 Thermodynamic Equations.
18.2.2 Minimization of Gibbs Free Energy.
19. Other WellEstablished Chemical Equilibrium Codes.
References.
Homework.
Projects.
2. Chemical Kinetics and Reaction Mechanisms.
Additional Symbols.
1. Rates of Reactions and Their Functional Dependence.
1.1 Total Collision Frequency.
1.2 Equation of Arrhenius.
1.3 Apparent Activation Energy.
1.4 Rates of Reaction.
1.5 Methods for Measurement of GasPhase Reaction Rates.
1.5.1 Static Methods.
1.5.1.1 Flash Photolysis Resonance Fluorescence Technique.
1.5.1.2 Relative Rate Constant Photolysis Technique.
1.5.1.3 Laser Photolysis/Laser Induced Fluorescence Technique.
1.5.2 Dynamic Methods for Reactions in Flow Systems.
1.5.3 Several Methods for Measuring Rapid Reaction Rates.
2. OneStep Chemical Reactions of Various Orders.
2. 1 FirstOrder Reactions.
2.2 SecondOrder Reactions.
2.3 ThirdOrder Reactions.
3. Consecutive Reactions.
4. Competitive Reactions.
5. Opposing Reactions.
5.1 FirstOrder Reaction Opposed by a FirstOrder Reaction.
5.2 FirstOrder Reaction Opposed by a SecondOrder Reaction.
5.3 SecondOrder Reaction Opposed by a SecondOrder Reaction.
6. Chain Reactions.
6.1 Free Radicals.
6.2 Lindemann's Theory for FirstOrder Reaction.
6.3 Complex Reactions.
6.3.1 HydrogenBromine Reaction.
7. ChainBranching Explosions.
8. CHEMKIN Analysis and Code Application for GasPhase Kinetics.
8.1 Thermodynamic Properties.
8.2 Reaction Rate Expressions.
8.3 Brief Description of Procedures in Using CHEMKIN Code.
9. Surface Reactions.
9.1 Surface Adsorption Processes.
9.1.1 The Langmuir Adsorption Isotherm.
9.1.2 Adsorption with Dissociation.
9.1.3 Competitive Adsorption.
9.2 Surface Reaction Processes.
9.2.1 Reaction Mechanism.
9.2.2 Unimolecular Surface Reactions.
9.2.3 Bimolecular Surface Reactions.
9.2.4 Desorption.
9.3 Kinetic Model of HydrogenOxygen Reaction on Platinum Surface.
9.3.1 Simple Kinetic Model of H2/O2 Reaction on Platinum Surface.
9.3.2 Kinetic Rates of H2/O2 reaction on Platinum Surface.
9.4 Experimental Methods to Study Surface Reactions.
9.4.1 Spectroscopic Methods.
9.4.1.1 Auger Electron Spectroscopy.
9.4.2 Temperature Controlled Methods.
9.4.3 Combination of Spectroscopic and TemperatureControlled Methods.
9.5 Surface Reaction Rate Determination.
9.5.1 Application of LIF Technique in Surface Reaction Rate Determination.
9.5.1.1 The Elementary Steps.
9.5.1.2 Experimental Setup.
9.5.1.3 Experimental Results.
10. Rate Laws for Isothermal Reactions Utilizing Dimensionless Parameters.
10.1 Equilibrium Constants.
10.2 Net Rate of Production of Chemical Species.
11. Procedure and Applications of Sensitivity Analysis.
11.1 Introduction to Sensitivity Analysis.
11.2 The Procedure for Local Sensitivity Analysis.
11.2.1 TimeDependent ZeroDimensional Problems.
11.2.2 The Procedure for SteadyState OneDimensional Problems.
11.2.3 The Procedure for TimeDependent Spatial Problem.
11.3 The Example of Sensitivity Analysis of Aliphatic Hydrocarbon Combustion.
11.3.1 Local Sensitivity Analysis in OneDimensional Flame Fronts.
11.3.2 Sensitivity Analysis for ZeroDimensional Problems.
12. Reaction Flow Analysis.
13. Reaction Mechanisms of H2/O2 Systems.
13.1 Background Information about H2/O2 Reaction Systems.
13.2 Explosion Limits of H2/O2 Systems.
14. GasPhase Reaction Mechanisms of Aliphatic Hydrocarbon and Oxygen System.
14.1 Specific Mechanisms.
14.1.1 GasPhase Kinetics of H2 Oxidation.
14.1.2 O3 Decomposition Mechanism.
14.1.3 CO Oxidation Mechanism.
14.1.4 CH2O Reaction.
14.1.5 CH4 Oxidation.
14.1.6 C2H6 (Ethane) Oxidation.
14.1.7 C2H4 (Ethylene) Oxidation.
14.1.8 C2H2 (Acetylene) Oxidation.
14.1.9 CH2CO (Ketene) Oxidation.
14.1.10 CH3OH (Methanol) Reactions.
14.1.11 C2H5OH (Ethanol) Reactions.
14.1.12 CH3CHO (Acetaldehyde) Reaction.
14.2 Discussion of More Complex Cases.
15. Reduction of Highly Complex Chemical Kinetic Mechanism to Simpler Reaction Mechanism.
15.1 QuasiSteady State Assumption (QSSA) and Partial Equilibrium Assumption.
15.2 Computational Singular Perturbation Methods for Stiff Equations.
15.2.1 Stiff Equations.
15.2.2 Chemical Kinetic Systems as Stiff Equations.
15.2.3 Formulation of the Problem.
15.2.4 Procedures for Solving the Chain Reaction Problem.
15.3 Some Observations of the CSP Method.
16. Formation Mechanism of Nitrogen Oxides.
16.1 Thermal NO Mechanism (Zeldovich Mechanism).
16.2 Prompt NO Mechanism (Fenimore Mechanism).
16.3 NO Production from Fuel Bound Nitrogen.
16.3.1 The Oxidation of HCN.
16.3.2 The NO r HCN r N2 Mechanism.
16.3.3 The Oxidation of NH3.
16.4 NO2 Mechanism.
16.5 N2O Mechanism.
16.6 Overall Remarks on NOx Formation.
17. Formation and Control of CO and Particulates.
17.1 Carbon Monoxide.
17.2 Particulate Matters.
17.2.1 Major Types of Particulates.
17.2.2 Harmful Effects.
17.2.3 Particulate Matter Control Methods.
References.
Homework.
3. Conservation Equations for Multicomponent Reacting Systems.
Additional Symbols.
1. Definitions of Concentrations, Velocities, and Mass Fluxes.
2. Fick's Law of Diffusion.
3. Theory of Ordinary Diffusion in Gases at Low Density.
4. Continuity Equation and Species Mass Conservation Equations.
5. Conservation of Momentum.
5. 1Momentum Equation in Terms of Stress.
5.1.1 Momentum Equation Derivation By Infinitesimal Particle Approach.
5.1.2 Momentum Equation Derivation By Infinitesimal Control Volume Approach.
5.1.3 Finite Control Volume.
5.2 StressStrainRate Relationship (Constitutive Relationship).
5.2.1 Strain Rate.
5.2.2 Stress Tensor.
5. 3 NavierStokes Equations.
6. Conservation of Energy.
7. Physical Derivation of the Multicomponent Diffusion Equation.
8. Other Necessary Equations in Multicomponent Systems.
9. Solution of a MulticomponentSpecies System.
10. ShvabZel'dovich Formulation.
11. Dimensionless Ratios of Transport Coefficients.
12. Boundary Conditions at an Interface.
References.
Homework.
Projects.
4. Detonation and Deflagration Waves of Premixed Gases.
Additional Symbols.
1. Qualitative Differences between Detonation and Deflagration.
2. The Hugoniot Curve.
3. Properties of the Hugoniot Curve.
3.1Entropy Distribution along the Hugoniot Curve.
3.2 Comparison of the BurnedGas Velocity Behind a Detonation Wave with the Local Speed of Sound.
4. Determination of ChapmanJouguet DetonationWave Velocity.
4.1 TrialandError Method.
4.2 The NewtonRaphson Iteration Method.
4.3Comparison of Calculated DetonationWave Velocities with Experimental Data.
5. DetonationWave Structure.
5.1ZND OneDimensional Wave Structure.
5.2Multidimensional DetonationWave Structure.
5.3Numerical Simulation of Detonations.
6. The Mechanism of DeflagrationtoDetonation Transition (DDT) in Gaseous Mixtures.
7. Detonability and Chemical Kinetics: Limits of Detonability.
7.1 Classical Model of Belles.
7.2 Detonability Limits of Confined Fuel Mixtures .
7.2.1 Initial Condition Dependence.
7.2.2 Boundary Condition Dependence.
7.2.3 SingleHead Spin Detonation.
7. 3 Detonability Criteria and Detonation Cell Size.
7. 4 Chemical Kinetics of Detonation in H2AirDiluent Mixtures.
8. NonIdeal Detonations.
8.1 Definition of Nonideal Detonation and Zel'dovich and Shchelkin's Detonation Mechanisms in Rough Tubes.
8.2 Theoretical Considerations of Energy and Momentum Losses.
8.3 Critical Pipe Diameter Consideration.
8.4 Effect of Several Physical and Chemical Parameters on detonability.
8.5 Possible Measures for Reducing Potential of Detonation Wave Generation.
9. Consideration of Spontaneous Detonation Initiation.
9.1 Functional Form of Distribution of Ignition Delay.
9.2 Experimental Verification of Processes of NonExplosive Detonation Initiation.
9.2.1 Photochemical Initiation of Detonation in Mixtures with NonUniform Concentration.
9.2.2 Gasdynamic Jet as a Method of Creating TemperatureConcentration NonUniformity.
9.3 General Observation and Status of Understanding.
References.
Homework.
Project.
5. Premixed Laminar Flames.
Additional Symbols.
1. Introduction and Flame Speed Measurement Methods.
1.1 Bunsen Burner Method.
1.2 ConstantVolume Spherical Bomb Method.
1.3 SoapBubble (ConstantPressure Bomb) Method.
1.4 ParticleTrack Method.
1.5 FlatFlame Burner Method.
1.6Diagnostic Method for Flame Structure Measurements.
1.6.1 Velocity Measurements.
1.6.2 Density Measurements.
1.6.3 Concentration Measurements.
1.6.4 Tempetature Measurements.
2. Classical Laminar Flame Theories.
2.1 Thermal Theory: Mallard and LeChatelier's Development.
2.2 Comprehensive Theory: The Theory of Zel'dovich, FrankKamenetsky and Semenov.
2.3 Diffusion Theory: The Theory of Tanford and Pease.
3. Contemporary Method for Solving Laminar Flame Problems.
3.1 Premixed O3/O2 Laminar Flames.
3.2 CHEMKIN Code for Solving Premixed Laminar Flame Structures.
4. Dynamic Analysis of Stretched Laminar Premix Flames.
4.1 Definition of Flame Stretch Factor and Karlovitz Number.
4.2 Balance Equation for Premixed Laminar Flame Area.
4.3 The Use of Expanding Spherical Flames to Determine Burning Velocities and Stretch Effects in Hydrogen/Air Mixtures.
4.4 Laminar Burning Velocities and Markstein Numbers of Hydrocarbon/Air Flames.
4.5 Burning Rates of UltraLean to ModeratelyRich H2/O2/N2 Laminar Flames with Pressure Variations.
5. Effect of Chemical and Physical Variables on Flame Speed.
5.1 Chemical Variables.
5.1.1 Effect of Mixture Ratio.
5.1.2 Effect of Fuel Molecular Structure.
5.1.3 Effects of Additives.
5.2 Physical Variables.
5.2.1 Effect of Pressure.
5.2.2 Effect of Initial Temperature.
5.2.3 Effect of Flame Temperature.
5.2.4 Effect of Thermal Diffusivity and Specific Heat.
6. Principle of Stabilization of Combustion Waves in Laminar Streams.
7. Flame Quenching .
8. Flammability Limits of Premixed Laminar Flames.
8.1 Flammability Limits Determined from a Standard Glass Tube.
8.2 Effect of Pressure and Temperature on Flammability Limit.
8.3 Spalding's Theory of Flammability Limits and Flame Quenching.
8. 4 Flame Structure Near the Flammability Limits of Premixed HydrogenOxygen Flames.
References.
Homework.
Projects.
6. Gaseous Diffusion Flames and Combustion of a Single Liquid Fuel Droplet.
1. Burke and Schumann's Theory of Laminar Diffusion Flames.
1. 1 Basic Assumptions and Solution Method.
1. 2 Flame Shape and Flame Height.
2. Phenomenological Analysis of Fuel Jets.
3. Laminar Diffusion Flame Jets.
3.1 Laminar Jet Mixing.
3.2 Laminar Jet with Chemical Reactions.
3.3 Numerical Solution of Two Dimensional Axisymmetric Laminar Diffusion Flames.
3.4 Effect of Preferential Diffusion of Species and Heat in Laminar Diffusion Flames.
4. Evaporation and Burning of a Single Droplet in a Quiescent Atmosphere .
4.1 Evaporation of a Single Fuel Droplet.
4. 2 Mass Burning Rate of a Single Fuel Droplet.
5. Fuel Droplet in a Convective Stream.
5.1 Correlation Development for Nearly Spherical Droplets in Convective Streams.
5.2 Simulation of Deformed Droplets Dynamics.
5.3 Effect of Internal Circulation on Droplet Vaporization Rate.
6. Supercritical Burning of Liquid Droplets in a Stagnant Environment .
6.1 Thermodynamic and Transport Properties.
6.1.1 Extended CorrespondingState Principle.
6.1.2 Equation of State.
6.1.3 Thermodynamic Properties.
6.1.4 Transport Properties.
6.2 VaporLiquid Phase Equilibrium.
6.3 Droplet Vaporization in Quiescent Environments.
6.4 Droplet Combustion in Quiescent Environments.
6.5 Droplet Vaporization in Supercritical Convective Environments.
6.6 Droplet Response to Ambient Flow Oscillation.
References.
Homework.
Projects.
Appendix A: Evaluation of Thermal and Transport Properties of Gases and Liquids .
Appendix B: Constants and Conversion Factors Often Used in Combustion.
Appendix C: Naming of Hydrocarbons and Properties of Hydrocarbon Fuels.
Appendix D: Melting, Boiling, and Critical Temperatures of Elements.
Appendix E: Periodic Table and Electronic Configurations of Neutral Atoms in Ground States.
References.
Author Index.
Subject Index.
Author Information
New to This Edition
 New theoretical results as well as measurement techniques of nonintrusive diagnostic methods
 Additional material on chemical kinetics during ignition
 Greater depth of coverage on sensitivity analysis and methods for identifying controlling chemical mechanisms
 The latest results regarding turbulent activity during combustion and the chemical kinetics of flames
 Expanded selection of examples to demonstrate realworld applications
 New emphasis on the use of digital computers for solutions