《combustion physical and chemical fundamentals modeling and simmulation experiments pollutan》

1Introduction，Fundamental Definitions and Phenomena1

1.1 Introduction1

1.2 Some Fundamental Definitions1

1.3 Basic Flame Types4

1.4 Exercises8

2Experimental Investigation of Flames9

2.1 Velocity Measurements10

2.2 Density Measurement11

2.3 Concentration Measurements13

2.4 Temperature Measurements18

2.5 Pressure Measurements20

2.6 Measurement of Particle Sizes21

2.7 Simultaneous Diagnostics22

2.8 Exercises27

3Mathematical Description of Premixed Laminar Flat Flames29

3.1 Conservation Equations for Laminar Flat Premixed Flames29

3.2 Heat and Mass Transport33

3.3 The Description of a Laminar Premixed Flat Flame Front33

3.4 Exercises38

4Thermodynamics of Combustion Processes39

4.1 The First Law of Thermodynamics39

4.2 Standard Enthalpies of Formation41

4.3 Heat Capacities43

4.4 The Second Law of Thermodynamics44

4.5 The Third Law of Thermodynamics45

4.6 Equilibrium Criteria and Thermodynamic Variables46

4.7 Equilibrium in Gas Mixtures； Chemical Potential47

4.8 Determination of Equilibrium Compositions in Gases49

4.9 Determination of Adiabatic Flame Temperatures51

4.10 Tabulation of Thermodynamic Data52

4.11 Exercises55

5Transport Phenomena57

5.1 A Simple Physical Model of Transport Processes57

5.2 Heat Conduction in Gases60

5.3 Viscosity of Gases62

5.4 Diffusion in Gases64

5.5 Thermal Diffusion，Dufour Effect，and Pressure Diffusion66

5.6 Comparison with Experiments67

5.7 Exercises71

6Chemical Kinetics73

6.1 Rate Laws and Reaction Orders73

6.2 Relation of Forward and Reverse Reactions75

6.3 Elementary Reactions，Reaction Molecularity75

6.4 Experimental Investigation of Elementary Reactions77

6.5 Temperature Dependence of Rate Coefficients79

6.6 Pressure Dependence of Rate Coefficients81

6.7 Surface Reactions84

6.8 Exercises88

7.Reaction Mechanisms91

7.1Characteristics of Reaction Mechanisms91

7.1.1 Quasi-Steady States92

7.1.2 Partial Equilibrium94

7.2Analysis of Reaction Mechanisms97

7.2.1 Sensitivity Analysis97

7.2.2 Reaction Flow Analysis101

7.2.3 Eigenvalue Analyses of Chemical Reaction Systems103

7.3 Stiffness of Ordinary Differential Equation Systems107

7.4 Simplification of Reaction Mechanisms107

7.5 Radical Chain Reactions115

7.6 Exercises117

8Laminar Premixed Flames119

8.1 Zeldovich’s Analysis of Flame Propagation119

8.2 Flame Structures121

8.3 Flame Velocities124

8.4 Sensitivity Analysis127

8.5 Exercises128

9Laminar Nonpremixed Flames129

9.1 Counterflow Nonpremixed Flames129

9.2 Laminar Jet Nonpremixed Flames133

9.3 Nonpremixed Flames With Fast Chemistry135

9.4 Exercises138

10Ignition Processes141

10.1 Semenov’s Analysis of Thermal Explosions142

10.2 Frank-Kamenetskii’s Analysis of Thermal Explosions143

10.3 Autoignition：Ignition Limits145

10.4 Autoignition：Ignition-Delay Time148

10.5 Induced Ignition，Minimum Ignition Energies149

10.6 Spark Ignition153

10.7 Detonations157

10.8 Exercises163

11Low-Temperature Oxidation，Engine Knock165

11.1 Fundamental Phenomena in Otto Engines165

11.2 Oxidation at Intermediate Temperatures168

11.3 Low-Temperature Oxidation169

11.4Ignition Processes in Reciprocating Engines173

11.4.1 Knock Damages in Otto Engines173

11.4.2 Ignition in Diesel Engines174

11.4.3 The HCCI Concept175

11.4.4 The DICI Concept177

11.5 Exercises178

12The Navier-Stokes-Equations for Three-Dimensional Reacting Flow179

12.1The Conservation Equations179

12.1.1 Overall Mass Conservation180

12.1.2 Species Mass Conservation181

12.1.3 Momentum Conservation181

12.1.4 Energy Conservation182

12.2The Empirical Laws183

12.2.1 Newton’s Law183

12.2.2 Fourier’s Law184

12.2.3 Fick’s Law andThermal Diffusion184

12.2.4 Calculation of the Transport Coefficients from Molecular Parameters185

12.3 Exercises185

13Turbulent Reacting Flows187

13.1 Some Fundamental Phenomena187

13.2 Direct Numerical Simulation189

13.3 Concepts for Turbulence Modeling：Time- and Favre-Averaging192

13.4 Reynolds-Averaged Navier-Stokes （RAMS） Equations194

13.5 Turbulence Models196

13.6 Mean Reaction Rates200

13.7 Concepts for Turbulence Modeling：Probability Density Functions202

13.8 Eddy-Break-Up Models206

13.9 Turbulent Scales207

13.10 Large-Eddy Simulation （LES）209

13.11 Exercises211

14Turbulent Nonpremixed Flames213

14.1 Nonpremixed Flames with Equilibrium Chemistry214

14.2 Finite-Rate Chemistry in Nonpremixed Flames217

14.3 Flame Extinction221

14.4 PDF-Simulations of Turbulent Non-Premixed Flames Using a Monte-Carlo Method224

14.5 Exercises226

15Turbulent Premixed Flames227

15.1 Classification of Turbulent Premixed Flames227

15.2Flamelet Models230

15.2.1 Flamelet Modelling Using a Reaction Progress Variable231

15.2.2 Flamelet Modelling Using a Level-Set Method232

15.3 Turbulent Flame Velocity233

15.4 Flame Extinction235

15.5 Other Models of Turbulent Premixed Combustion237

15.6 Exercises238

16Combustion of Liquid and Solid Fuels239

16.1Droplet Combustion239

16.1.1 Combustion of Single Droplets240

16.1.2 Combustion of Droplet Groups244

16.2Spray Combustion246

16.2.1 Formation of Sprays246

16.2.2 Spray Combustion Modes247

16.2.3 Statistical Description of Sprays249

16.2.4 Modeling of Turbulent Spray Combustion252

16.2.5 Flamelet-Type Models for Spray Combustion253

16.3Coal Combustion255

16.3.1 Pyrolysis of Coal255

16.3.2 Burning of Volatile Compounds256

16.3.3 Burning of the Coke256

16.3.4 Coal Gasification257

16.4 Exercises258

17Formation of Nitric Oxides259

17.1 Thermal NO （Zeldovich NO）259

17.2 Prompt NO （Fenimore NO）262

17.3 NO Generated via Nitrous Oxide265

17.4 Conversion of Fuel Nitrogen into NO265

17.5 NO Reduction by Combustion Modifications267

17.6 Catalytic Combustion271

17.7 NO Reduction by Post-Combustion Processes272

17.8 Exercises275

18Formation of Hydrocarbons and Soot277

18.1Unburnt Hydrocarbons277

18.1.1 Flame Extinction Due to Strain278

18.1.2 Flame Extinction at Walls and in Gaps278

18.2 Formation of Polycyclic Aromatic Hydrocarbons （PAH）280

18.3 The Phenomenology of Soot Formation283

18.4 Modelling and Simulation of Soot Formation287

18.5 Exercises296

19Effects of Combustion Processes on the Atmosphere297

19.1The Structure of the Atmosphere297

19.1.1 Pressure in the Atmosphere297

19.1.2 Temperature and Classification of Compartments in the Atmosphere299

19.1.3 Composition of the Atmosphere300

19.2.The Atmosphere as a Photochemical System300

19.2.1 Lambert-Beer Law300

19.2.2 Stem-Vollmer Equation301

19.2.3 Formation of Photochemical Layers302

19.3Incoming Sun Radiation，Photochemical Primary Processes303

19.4.Physical Processes in the Atmosphere305

19.4.1 Conservation of the Mass of Species305

19.4.2 Conservation of Energy306

19.4.3 Solution of the Conservation Equations307

19.5Chemistry of the Unpolluted Atmosphere307

19.5.1 Pure Oxygen Atmosphere307

19.5.2 Oxygen-Nitrogen-Hydrogen-Carbon Atmosphere308

19.6Chemistry of the Polluted Atmosphere310

19.6.1 Photochemical Smog310

19.6.2 Supersonic Transports314

19.6.3 Green-House Effect315

19.6.4 Acid rain316

19.7 The Role of Combustion Sources in Atmospheric Pollution317

20Appendix 1：Mathematics319

20.1Some Definitions and Laws for Vectors and Tensors319

20.2.1 Formulation of the Problem320

20.2.2 General Remarks on Solution Algorithms for ODE Systems321

20.2.3 Euler Method322

20.2.4 Extrapolation Method324

20.3Numerical Solution of Partial Differential Equation Systems325

20.3.1 Spatial Discretization326

20.3.2 Initial Values，Boundary Conditions，Stationary Solution328

20.3.3 Explicit Solution Methods329

20.3.4 Implicit Solution Methods330

20.3.5 Semi-implicit Solution of Partial Differential Equations330

20.3.6 Implicit Solution of Partial Differential Equations331

21Appendix 2：Reaction Mechanisms333

21.1 Mechanism of the Oxidation of H2，CO，C1 and C2 Hydrocarbons333

21.2 Reaction Mechanism of the Generation and Consumption of NOx340

22References345

23Index367