COMBUSTION PHYSICS
1870526PRE CUFX045/LAW PRINTER: CUPUSBW 0 521 87052 JULY 21, CONTENTS INTRODUCTION 0 1 MAJOR AREAS OF COMBUSTION APPLICATION 0 2 SCIENTI?C DISCIPLINES COMPRISING COMBUSTION 0 3 CLASSI?CATIONS OF FUNDAMENTAL COMBUSTION PHENOMENA 0 4 ORGANIZATION OF THE TEXT 0 5 LITERATURE SOURCES 1 CHEMICAL THERMODYNAMICS 1 1 PRACTICAL REACTANTS AND STOICHIOMETRY 1 1 1 PRACTICAL REACTANTS 1 1 2 STOICHIOMETRY 1 2 CHEMICAL EQUILIBRIUM 1 2 1 FIRST AND SECOND LAWS 1 2 2 THERMODYNAMIC FUNCTIONS 1 2 3 CRITERION FOR CHEMICAL EQUILIBRIUM 1 2 4 PHASE EQUILIBRIUM 1 2 5 EQUILIBRIUM CONSTANTS 1 2 6 EQUILIBRIUM CONSTANTS IN THE PRESENCE OF CONDENSED PHASES 1 2 7 MULTIPLE REACTIONS 1 2 8 ELEMENT CONSERVATION 1 2 9 RESTRICTED EQUILIBRIUM 1 3 EQUILIBRIUM COMPOSITION CALCULATIONS 1 3 1 EQUILIBRIUM COMPOSITION OF HYDROCARBON–AIR MIXTURES 1 3 2 THE MAJOR–MINOR SPECIES MODEL 1 3 3 COMPUTER SOLUTIONS 1 4 ENERGY CONSERVATION 1 4 1 HEATS OF FORMATION, REACTION, AND COMBUSTION 1 4 2 ESTIMATION OF HEAT OF REACTION FROM BOND ENERGIES 1 4 3 DETERMINATION OF HEAT OF REACTION FROM KP(T) 1 4 4 SENSIBLE ENERGIES AND HEAT CAPACITIES 1 4 5 ENERGY CONSERVATION IN ADIABATIC CHEMICAL SYSTEMS 1 4 6 ADIABATIC FLAME TEMPERATURE AND EQUILIBRIUM COMPOSITION PROBLEMS 2 CHEMICAL KINETICS 2 1 PHENOMENOLOGICAL LAW OF REACTION RATES 2 1 1 THE LAW OF MASS ACTION 2 1 2 REVERSIBLE REACTIONS 2 1 3 MULTISTEP REACTIONS 2 1 4 STEADY-STATE APPROXIMATION 2 1 5 PARTIAL EQUILIBRIUM APPROXIMATION 2 1 6 APPROXIMATIONS BY GLOBAL AND SEMIGLOBAL REACTIONS 2 1 7 REACTION ORDER AND MOLECULARITY 2 2 THEORIES OF REACTION RATES: BASIC CONCEPTS 2 2 1 THE ARRHENIUS LAW 2 2 2 THE ACTIVATION ENERGY 2 2 3 COLLISION THEORY OF REACTION RATES 2 2 4 TRANSITION STATE THEORY OF REACTION RATES 2 3 THEORIES OF REACTION RATES: UNIMOLECULAR REACTIONS 2 3 1 LINDEMANN THEORY 2 3 2 RICE–RAMSPERGER–KASSEL (RRK) THEORY 2 3 3 REPRESENTATION OF UNIMOLECULAR REACTION RATE CONSTANTS 2 3 4 CHEMICALLY ACTIVATED REACTIONS 2 4 CHAIN REACTION MECHANISMS 2 4 1 STRAIGHT-CHAIN REACTIONS: THE HYDROGEN–HALOGEN SYSTEM 2 4 2 BRANCHED-CHAIN REACTIONS 2 4 3 FLAME INHIBITORS 2 5 EXPERIMENTAL AND COMPUTATIONAL TECHNIQUES 3 OXIDATION MECHANISMS OF FUELS 3 1 PRACTICAL FUELS 3 2 OXIDATION OF HYDROGEN AND CARBON MONOXIDE 3 2 1 EXPLOSION LIMITS OF HYDROGEN–OXYGEN MIXTURES 3 2 2 CARBON MONOXIDE OXIDATION 3 2 3 INITIATION REACTIONS IN FLAMES 3 3 OXIDATION OF METHANE 3 3 1 GENERAL CONSIDERATIONS OF HYDROCARBON OXIDATION 3 3 2 METHANE AUTOIGNITION 3 3 3 METHANE FLAMES 3 4 OXIDATION OF C2 HYDROCARBONS 3 5 OXIDATION OF ALCOHOLS 3 6 HIGH-TEMPERATURE OXIDATION OF HIGHER ALIPHATIC FUELS 3 6 1 THE ?-SCISSION RULE 3 6 2 OXIDATION MECHANISMS 3 7 OXIDATION OF AROMATICS 3 8 HYDROCARBON OXIDATION AT LOW TO INTERMEDIATE TEMPERATURES 3 9 CHEMISTRY OF POLLUTANT FORMATION 3 9 1 OXIDES OF NITROGEN 3 9 2 SOOT FORMATION 3 10 MECHANISM DEVELOPMENT AND REDUCTION 3 10 1 POSTULATED SEMIGLOBAL MECHANISMS 3 10 2 NEED FOR COMPREHENSIVENESS AND REDUCTION 3 11 SYSTEMATIC REDUCTION: THE HYDROGEN–OXYGEN SYSTEM 3 11 1 REDUCTION TO SKELETAL MECHANISMS 3 11 2 LINEARLY INDEPENDENT REPRESENTATION 3 11 3 REDUCTION THROUGH QSS ASSUMPTION 3 12 THEORIES OF MECHANISM REDUCTION 3 12 1 SENSITIVITY ANALYSIS 3 12 2 THEORY OF DIRECTED RELATION GRAPH 3 12 3 THEORY OF COMPUTATIONAL SINGULAR PERTURBATION 3 12 4 MECHANISM VALIDATION 4 TRANSPORT PHENOMENA 4 1 PHENOMENOLOGICAL DERIVATION OF DIFFUSION COEF?CIENTS 4 1 1 DERIVATION 4 1 2 DISCUSSION ON DIFFUSION COEF?CIENTS 4 1 3 CHARACTERISTIC DIFFUSION RATES AND NONDIMENSIONAL NUMBERS 4 1 4 SECOND-ORDER DIFFUSION 4 2 SOME USEFUL RESULTS FROM KINETIC THEORY OF GASES 4 2 1 GENERAL CONCEPTS 4 2 2 COLLISION POTENTIALS AND INTEGRALS 4 2 3 TRANSPORT COEF?CIENTS 5 CONSERVATION EQUATIONS 5 1 CONTROL VOLUME DERIVATION 5 1 1 CONSERVATION OF TOTAL MASS 5 1 2 CONSERVATION OF INDIVIDUAL SPECIES 5 1 3 CONSERVATION OF MOMENTUM 5 1 4 CONSERVATION OF ENERGY 5 1 5 CONSERVATION RELATIONS ACROSS AN INTERFACE 5 2 GOVERNING EQUATIONS 5 2 1 CONSERVATION EQUATIONS 5 2 2 CONSTITUTIVE RELATIONS 5 2 3 AUXILIARY RELATIONS 5 2 4 SOME USEFUL APPROXIMATIONS 5 3 A SIMPLI?ED DIFFUSION-CONTROLLED SYSTEM 5 3 1 ASSUMPTIONS 5 3 2 DERIVATION 5 4 CONSERVED SCALAR FORMULATIONS 5 4 1 COUPLING FUNCTION FORMULATION 5 4 2 LOCAL COUPLING FUNCTION FORMULATION 5 4 3 NEAR-EQUIDIFFUSION FORMULATION 5 4 4 ELEMENT CONSERVATION FORMULATION 5 4 5 MIXTURE FRACTION FORMULATION 5 4 6 PROGRESS VARIABLE FORMULATION 5 5 REACTION-SHEET FORMULATION 5 5 1 JUMP RELATIONS FOR COUPLING FUNCTIONS 5 5 2 ADIABATIC FLAME TEMPERATURE 5 6 FURTHER DEVELOPMENT OF THE SIMPLI?ED DIFFUSION-CONTROLLED SYSTEM 5 6 1 CONSERVATION EQUATIONS 5 6 2 NONDIMENSIONAL NUMBERS NOMENCLATURE 6 LAMINAR NONPREMIXED FLAMES 6 1 THE ONE-DIMENSIONAL CHAMBERED FLAME 6 1 1 COUPLING FUNCTION FORMULATION 6 1 2 REACTION-SHEET FORMULATION 6 1 3 MIXTURE FRACTION FORMULATION 6 1 4 ELEMENT CONSERVATION FORMULATION 6 2 THE BURKE–SCHUMANN FLAME 6 3 CONDENSED FUEL VAPORIZATION AND THE STEFAN FLOW 6 4 DROPLET VAPORIZATION AND COMBUSTION 6 4 1 PHENOMENOLOGY 6 4 2 D2-LAW OF DROPLET VAPORIZATION 6 4 3 D2-LAW OF DROPLET COMBUSTION 6 4 4 EXPERIMENTAL RESULTS ON SINGLE-COMPONENT DROPLET COMBUSTION 6 5 THE COUNTER?OW FLAME 7 LAMINAR PREMIXED FLAMES 7 1 COMBUSTION WAVES IN PREMIXTURES 7 1 1 RANKINE–HUGONIOT RELATIONS 7 1 2 DETONATION AND DE?AGRATION WAVES 7 1 3 CHAPMAN–JOUGUET WAVES 7 1 4 PRELIMINARY DISCUSSION OF DETONATION WAVES 7 2 PHENOMENOLOGICAL DESCRIPTION OF THE STANDARD FLAME 7 2 1 FLAME STRUCTURE 7 2 2 LAMINAR BURNING FLUX AND FLAME THICKNESS 7 3 MATHEMATICAL FORMULATION 7 3 1 GOVERNING EQUATIONS 7 3 2 THE COLD BOUNDARY DIF?CULTY 7 4 APPROXIMATE ANALYSES 7 4 1 INTEGRAL ANALYSIS 7 4 2 FRANK-KAMENETSKII SOLUTION 7 5 ASYMPTOTIC ANALYSIS 7 5 1 DISTINGUISHED LIMIT 7 5 2 ASYMPTOTIC SOLUTION 7 5 3 DEPENDENCE OF BURNING FLUX ON FLAME TEMPERATURE 7 6 DETERMINATION OF LAMINAR FLAME SPEEDS 7 6 1 BUNSEN FLAME METHOD 7 6 2 FLAT AND ONE-DIMENSIONAL FLAME METHODS 7 6 3 OUTWARDLY PROPAGATING SPHERICAL FLAME METHOD 7 6 4 STAGNATION FLAME METHOD 7 6 5 NUMERICAL COMPUTATION 7 6 6 PRO?LE-BASED DETERMINATION 7 7 DEPENDENCE OF LAMINAR BURNING VELOCITIES 7 7 1 DEPENDENCE ON TAD AND LE 7 7 2 DEPENDENCE ON MOLECULAR STRUCTURE 7 7 3 DEPENDENCE ON PRESSURE 7 7 4 DEPENDENCE ON FREESTREAM TEMPERATURE 7 7 5 DEPENDENCE ON TRANSPORT PROPERTIES 7 8 CHEMICAL STRUCTURE OF FLAMES 7 8 1 EXPERIMENTAL METHODS 7 8 2 DETAILED STRUCTURE 7 8 3 ASYMPTOTIC STRUCTURE WITH REDUCED MECHANISMS 8 LIMIT PHENOMENA 8 1 PHENOMENOLOGICAL CONSIDERATIONS OF IGNITION AND EXTINCTION 8 1 1 QUENCHING DISTANCES AND MINIMUM IGNITION ENERGIES 8 1 2 ADIABATIC THERMAL EXPLOSION 8 1 3 NONADIABATIC EXPLOSION AND THE SEMENOV CRITERION 8 1 4 THE WELL-STIRRED REACTOR ANALOGY 8 1 5 THE S-CURVE CONCEPT 8 2 IGNITION BY A HOT SURFACE 8 2 1 ASYMPTOTIC ANALYSIS OF THE REACTION ZONE 8 2 2 IGNITION OF A CON?NED MIXTURE BY A FLAT PLATE 8 2 3 IGNITION OF AN UNCON?NED MIXTURE BY A FLAT PLATE 8 2 4 NUSSELT NUMBER CORRELATION 8 2 5 CONVECTION-FREE FORMULATION 8 3 IGNITION OF HYDROGEN BY HEATED AIR 8 3 1 GLOBAL RESPONSE TO STRAIN RATE VARIATIONS 8 3 2 SECOND IGNITION LIMIT 8 3 3 FIRST AND THIRD IGNITION LIMITS 8 3 4 DECOUPLED ENVIRONMENT AND KINETIC VERSUS THERMAL FEEDBACK 8 3 5 MULTIPLE CRITICALITY AND STAGED IGNITION 8 4 PREMIXED FLAME EXTINCTION THROUGH VOLUMETRIC HEAT LOSS 8 4 1 PHENOMENOLOGICAL DERIVATION 8 4 2 FRANK-KAMENETSKII SOLUTION 8 5 FLAMMABILITY LIMITS 8 5 1 EMPIRICAL LIMITS 8 5 2 FUNDAMENTAL LIMITS 8 6 FLAME STABILIZATION AND BLOWOFF 8 6 1 THE FLAT-BURNER FLAME 8 6 2 STABILIZATION OF PREMIXED FLAME AT BURNER RIM 8 6 3 STABILIZATION OF NONPREMIXED FLAME AT BURNER RIM 8 6 4 STABILIZATION OF LIFTED FLAMES 9 ASYMPTOTIC STRUCTURE OF FLAMES 9 1 STRUCTURE OF PREMIXED FLAMES 9 1 1 STRUCTURE EQUATION 9 1 2 DELTA FUNCTION CLOSURE AND JUMP RELATIONS 9 1 3 REDUCTION TO CANONICAL FORM 9 2 STRUCTURE OF NONPREMIXED FLAMES: CLASSI?CATION 9 2 1 CLASSI?CATION OF FLOW TYPES 9 2 2 CLASSI?CATION OF FLAME REGIMES 9 2 3 PARAMETRIC BOUNDARIES OF FLAME REGIMES 9 3 STRUCTURE OF NONPREMIXED FLAMES: ANALYSIS 9 3 1 NEARLY FROZEN REGIME 9 3 2 PARTIAL BURNING REGIME 9 3 3 PREMIXED FLAME REGIME 9 3 4 NEAR-EQUILIBRIUM REGIME 9 4 MIXTURE FRACTION FORMULATION FOR NEAR-EQUILIBRIUM REGIME 10 AERODYNAMICS OF LAMINAR FLAMES 10 1 GENERAL CONCEPTS 10 2 HYDRODYNAMIC STRETCH 10 2 1 THE G-EQUATION 10 2 2 CORNER FORMATION IN LANDAU PROPAGATION 10 2 3 BURNING RATE INCREASE THROUGH FLAME WRINKLING 10 2 4 THE STRETCH RATE 10 3 FLAME STRETCH: PHENOMENOLOGY 10 3 1 EFFECTS OF FLOW STRAINING: THE STAGNATION FLAME 10 3 2 EFFECTS OF FLAME CURVATURE: THE BUNSEN FLAME 10 3 3 EFFECTS OF FLAME MOTION: THE UNSTEADY SPHERICAL FLAME 10 3 4 EFFECTS OF HEAT LOSS 10 4 FLAME STRETCH: ANALYSES 10 4 1 EFFECTS OF FLAME STRETCH 10 4 2 EFFECTS OF PURE CURVATURE 10 4 3 COMBINED SOLUTION 10 4 4 ASYMPTOTIC ANALYSIS OF THE COUNTER?OW FLAME 10 5 EXPERIMENTAL AND COMPUTATIONAL RESULTS 10 5 1 EQUIDIFFUSIVE FLAMES 10 5 2 NONEQUIDIFFUSIVE FLAMES 10 6 FURTHER IMPLICATIONS OF STRETCHED FLAME PHENOMENA 10 6 1 DETERMINATION OF LAMINAR FLAME PARAMETERS 10 6 2 DUAL EXTINCTION STATES AND EXTENDED FLAMMABILITY LIMITS 10 6 3 OTHER PHENOMENA 10 7 SIMULTANEOUS CONSIDERATION OF HYDRODYNAMIC AND FLAME STRETCH 10 7 1 CURVATURE-INDUCED CORNER BROADENING 10 7 2 INVERSION AND TIP OPENING OF BUNSEN FLAMES 10 8 UNSTEADY DYNAMICS 10 9 FLAMEFRONT INSTABILITIES 10 9 1 MECHANISMS OF CELLULAR INSTABILITIES 10 9 2 ANALYSIS OF CELLULAR INSTABILITIES 10 9 3 MECHANISMS OF PULSATING INSTABILITIES 10 9 4 EFFECTS OF HEAT LOSS AND AERODYNAMIC STRAINING 11 COMBUSTION IN TURBULENT FLOWS 11 1 GENERAL CONCEPTS 11 1 1 ORIGIN AND STRUCTURE 11 1 2 PROBABILISTIC DESCRIPTION 11 1 3 TURBULENCE SCALES 11 2 SIMULATION AND MODELING 11 2 1 DIRECT NUMERICAL SIMULATION 11 2 2 REYNOLDS-AVERAGED NAVIER–STOKES MODELS 11 2 3 LARGE EDDY SIMULATION 11 2 4 PROBABILITY DENSITY FUNCTIONS 11 2 5 CLOSURE OF THE REACTION RATE TERM 11 3 PREMIXED TURBULENT COMBUSTION 11 3 1 REGIMES OF COMBUSTION MODES 11 3 2 TURBULENT BURNING VELOCITIES 11 3 3 FLAMELET MODELING 11 4 NONPREMIXED TURBULENT COMBUSTION 11 4 1 REGIMES OF COMBUSTION MODES 11 4 2 MIXTURE FRACTION MODELING 12 COMBUSTION IN BOUNDARY-LAYER FLOWS 12 1 CONSIDERATIONS OF STEADY TWO-DIMENSIONAL BOUNDARY-LAYER FLOWS 12 1 1 GOVERNING EQUATIONS 12 1 2 TRANSFORMATION TO BOUNDARY-LAYER VARIABLES 12 1 3 DISCUSSION ON SIMILARITY 12 2 NONPREMIXED BURNING OF AN ABLATING SURFACE 12 3 IGNITION OF A PREMIXED COMBUSTIBLE 12 3 1 IGNITION AT THE STAGNATION POINT 12 3 2 IGNITION ALONG A FLAT PLATE 12 3 3 IGNITION IN THE MIXING LAYER 12 3 4 FLAME STABILIZATION AND BLOWOFF IN HIGH-SPEED FLOWS 12 4 JET FLOWS 12 4 1 SIMILARITY SOLUTION 12 4 2 HEIGHT OF NONPREMIXED JET FLAMES 12 4 3 STABILIZATION AND BLOWOUT OF LIFTED FLAMES 12 5 SUPERSONIC BOUNDARY-LAYER FLOWS 12 5 1 NONPREMIXED BURNING OF AN ABLATING SURFACE 12 5 2 IGNITION ALONG A FLAT PLATE 12 6 NATURAL CONVECTION BOUNDARY-LAYER FLOWS 13 COMBUSTION IN TWO-PHASE FLOWS 13 1 GENERAL CONSIDERATIONS OF DROPLET COMBUSTION 13 1 1 PHENOMENOLOGY 13 1 2 EXPERIMENTAL CONSIDERATIONS 13 2 SINGLE-COMPONENT DROPLET COMBUSTION 13 2 1 DROPLET HEATING 13 2 2 FUEL VAPOR ACCUMULATION 13 2 3 VARIABLE PROPERTY EFFECTS 13 2 4 GAS-PHASE TRANSIENT DIFFUSION AND HIGH-PRESSURE COMBUSTION 13 2 5 CONVECTION EFFECTS AND DROPLET DYNAMICS 13 2 6 DROPLET INTERACTION 13 2 7 DYNAMICS OF DROPLET COLLISION 13 2 8 IGNITION AND EXTINCTION CRITERIA 13 3 MULTICOMPONENT DROPLET COMBUSTION 13 3 1 MISCIBLE MIXTURES 13 3 2 MICROEXPLOSION PHENOMENON 13 3 3 EMULSIONS AND SLURRIES 13 3 4 ALCOHOLS AND REACTIVE LIQUID PROPELLANTS 13 4 CARBON PARTICLE COMBUSTION 13 4 1 PHENOMENOLOGY 13 4 2 GLOBAL KINETICS OF CARBON OXIDATION 13 4 3 ANALYSIS 13 4 4 LIMITING SOLUTIONS 13 5 METAL PARTICLE COMBUSTION 13 6 PHENOMENOLOGY OF SPRAY COMBUSTION 13 6 1 ONE-DIMENSIONAL, PLANAR, SPRAY FLAMES 13 6 2 SPRAY JET FLAMES 13 6 3 CLOUD AND DENSE SPRAY COMBUSTION 13 7 FORMULATION OF SPRAY COMBUSTION 13 7 1 SPRAY STATISTICS 13 7 2 CONSERVATION EQUATIONS 13 8 ADIABATIC SPRAY VAPORIZATION 13 9 HETEROGENEOUS LAMINAR FLAMES 13 9 1 GAS-PHASE FLAMES 13 9 2 CONDENSED-PHASE FLAMES 14 COMBUSTION IN SUPERSONIC FLOWS 14 1 FROZEN AND EQUILIBRIUM FLOWS 14 1 1 GOVERNING EQUATIONS FOR NONDIFFUSIVE FLOWS 14 1 2 ENTROPY PRODUCTION 14 1 3 SPEED OF SOUND 14 1 4 ACOUSTIC EQUATIONS 14 2 DYNAMICS OF WEAKLY PERTURBED FLOWS 14 2 1 ONE-DIMENSIONAL PROPAGATION OF ACOUSTIC WAVES 14 2 2 UNIFORM FLOW OVER SLENDER BODIES 14 3 STEADY, QUASI-ONE-DIMENSIONAL FLOWS 14 3 1 NONLINEAR FLOWS 14 3 2 LINEARIZED NOZZLE FLOWS 14 4 METHOD OF CHARACTERISTICS 14 4 1 GENERAL PROCEDURE FOR TWO INDEPENDENT VARIABLES 14 4 2 UNSTEADY, ONE-DIMENSIONAL, FROZEN, ISENTROPIC FLOWS 14 4 3 STEADY TWO-DIMENSIONAL FLOWS 14 5 STEADY ONE-DIMENSIONAL DETONATIONS 14 5 1 CHAPMAN–JOUGUET DETONATIONS 14 5 2 OVERDRIVEN DETONATIONS 14 5 3 TAYLOR EXPANSION WAVES 14 5 4 ZND STRUCTURE OF DETONATION WAVES 14 5 5 EIGENVALUE STRUCTURE OF QUASI-ONE-DIMENSIONAL DETONATIONS 14 6 UNSTEADY THREE-DIMENSIONAL DETONATIONS 14 6 1 PULSATING INSTABILITY OF THE ZND STRUCTURE 14 6 2 TRIPLE-SHOCK STRUCTURE 14 6 3 TRIPLE-SHOCK INTERACTIONS 14 6 4 THE COMPLEX STRUCTURE 14 7 PROPAGATION OF STRONG BLAST WAVES 14 8 DIRECT DETONATION INITIATION 14 8 1 THE ZEL’DOVICH CRITERION 14 8 2 CURVATURE-INDUCED QUENCHING LIMIT 14 8 3 CURVATURE-AFFECTED INITIATION LIMIT 14 9 INDIRECT DETONATION INITIATION 14 9 1 SYNCHRONIZED INITIATION 14 9 2 DE?AGRATION-TO-DETONATION TRANSITION REFERENCES