Preface.
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 Non-equilibrium Thermodynamics.
6. Criteria for Equilibrium.
7. Conservation of Atomic Species.
8. Various Methods for Reactant-Fraction Specification.
8.1 Mole and Mass Fractions.
8.2 Fuel-Oxidant and Fuel-Air 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 Constant-Pressure and Constant-Volume Combustion.
12.1 Constant-Pressure Combustion.
12.2 Constant-Volume Combustion.
13. Energy Balance Considerations for Flame Temperature Calculations.
14. Equilibrium Constants.
15. Real-Gas Equations of State and Fugacity Calculation.
16. More Complicated Dissociation in the Combustion of Hydrocarbons.
17. The Clausius-Clapeyron 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 Well-Established 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 Gas-Phase 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. One-Step Chemical Reactions of Various Orders.
2. 1 First-Order Reactions.
2.2 Second-Order Reactions.
2.3 Third-Order Reactions.
3. Consecutive Reactions.
4. Competitive Reactions.
5. Opposing Reactions.
5.1 First-Order Reaction Opposed by a First-Order Reaction.
5.2 First-Order Reaction Opposed by a Second-Order Reaction.
5.3 Second-Order Reaction Opposed by a Second-Order Reaction.
6. Chain Reactions.
6.1 Free Radicals.
6.2 Lindemann's Theory for First-Order Reaction.
6.3 Complex Reactions.
6.3.1 Hydrogen-Bromine Reaction.
7. Chain-Branching Explosions.
8. CHEMKIN Analysis and Code Application for Gas-Phase 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 Hydrogen-Oxygen 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 Temperature-Controlled 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 Time-Dependent Zero-Dimensional Problems.
11.2.2 The Procedure for Steady-State One-Dimensional Problems.
11.2.3 The Procedure for Time-Dependent Spatial Problem.
11.3 The Example of Sensitivity Analysis of Aliphatic Hydrocarbon Combustion.
11.3.1 Local Sensitivity Analysis in One-Dimensional Flame Fronts.
11.3.2 Sensitivity Analysis for Zero-Dimensional 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. Gas-Phase Reaction Mechanisms of Aliphatic Hydrocarbon and Oxygen System.
14.1 Specific Mechanisms.
14.1.1 Gas-Phase 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 Quasi-Steady 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 Stress-Strain-Rate Relationship (Constitutive Relationship).
5.2.1 Strain Rate.
5.2.2 Stress Tensor.
5. 3 Navier-Stokes Equations.
6. Conservation of Energy.
7. Physical Derivation of the Multicomponent Diffusion Equation.
8. Other Necessary Equations in Multicomponent Systems.
9. Solution of a Multicomponent-Species System.
10. Shvab-Zel'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 Burned-Gas Velocity Behind a Detonation Wave with the Local Speed of Sound.
4. Determination of Chapman-Jouguet Detonation-Wave Velocity.
4.1 Trial-and-Error Method.
4.2 The Newton-Raphson Iteration Method.
4.3Comparison of Calculated Detonation-Wave Velocities with Experimental Data.
5. Detonation-Wave Structure.
5.1ZND One-Dimensional Wave Structure.
5.2Multidimensional Detonation-Wave Structure.
5.3Numerical Simulation of Detonations.
6. The Mechanism of Deflagration-to-Detonation 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 Single-Head Spin Detonation.
7. 3 Detonability Criteria and Detonation Cell Size.
7. 4 Chemical Kinetics of Detonation in H2-Air-Diluent Mixtures.
8. Non-Ideal Detonations.
8.1 Definition of Non-ideal 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 Non-Explosive Detonation Initiation.
9.2.1 Photochemical Initiation of Detonation in Mixtures with Non-Uniform Concentration.
9.2.2 Gasdynamic Jet as a Method of Creating Temperature-Concentration Non-Uniformity.
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 Constant-Volume Spherical Bomb Method.
1.3 Soap-Bubble (Constant-Pressure Bomb) Method.
1.4 Particle-Track Method.
1.5 Flat-Flame 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, Frank-Kamenetsky 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 Ultra-Lean to Moderately-Rich 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 Hydrogen-Oxygen 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 Corresponding-State Principle.
6.1.2 Equation of State.
6.1.3 Thermodynamic Properties.
6.1.4 Transport Properties.
6.2 Vapor-Liquid 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.
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