Note: Page numbers followed by “f” and “t” refer to figures and tables, respectively.
Acetylene–air diffusion flame, structure of,
302fAdiabatic flame temperatures, of hydrocarbons,
651t–653tAIM (sensitivity analysis program),
744–745Alkanes, bond dissociation energies,
681tAlkenes, bond dissociation energies,
682t–684tAlkylated aromatics, oxidation of,
128–132Alkynes, bond dissociation energies,
682t–684tAluminum (Al), thermochemical data of,
541t–646tAluminum nitride (AlN), thermochemical data of,
541t–646tAluminum oxide (Al
2O), thermochemical data of,
541t–646tAluminum oxide (Al
2O
3), thermochemical data of,
541t–646tAmmonia (NH
3), thermochemical data of,
541t–646tAromatic compounds,
93–94Aromatic hydrocarbons, oxidation of,
123–132Beryllium (Be), thermochemical data of,
541t–646tBeryllium oxide (BeO), thermochemical data of,
541t–646tBond dissociation energies
of nitrogen-containing compounds,
687tof sulfur-containing compounds,
686tBoron dioxide (BO
2), thermochemical data of,
541t–646tBoron oxide (B
2O
3), thermochemical data of,
541t–646tBoron particles, burning of,
510–511Boundary layer flow, programs for,
744Burned gases speed sound determination, for conditions above Chapman–Jouguet point,
269–273entropy behavior along Hugoniot curve,
269Burning
of metals in nearly pure oxygen,
504–506
Carbon (C)
Carbon dioxide (CO
2),
524Carbon disulfide (CS
2), oxidative mechanisms of,
431–432Carbon monoxide (CO)
Carbonyl sulfide, oxidative mechanisms of,
431–432CEA (Chemical Equilibrium with Applications),
738–739, 744CEC (computer program),
739Cellulose, chemical structure of,
515fC/H/O compounds, bond dissociation energies
carbon-centered radicals,
685toxygen-centered radicals,
685tCH
2O/CO/H
2/O
2 mechanism,
658tChain spontaneous ignition,
366–367Chapman–Jouguet (C–J) point,
150burned gases speed sound determination for conditions above,
269–273entropy behavior along Hugoniot curve,
269carbon char combustion,
477CHEMClean (programs),
737CHEMDiffs (programs),
737fractional conversion, pressure effect in,
58large reaction mechanisms, chemical kinetics of,
59–65chemical reacting systems,
62–64coupled thermal systems,
62–64mechanism simplification,
64–65rate-of-production analysis,
62sensitivity analysis,
60–61partial equilibrium assumption,
57–58pseudo-first-order reactions,
54–56reaction rates and temperature dependence,
41–49recombination rate theory,
45–49transition state theory,
45–49simultaneous interdependent reactions,
50Chemical percolation devolatilization (CPD),
518Chemical reacting systems,
62–64Chemical thermodynamics
equilibrium constants,
8–15flame temperature calculations,
16–31heats
sub and supersonic combustion thermodynamics,
31–34stagnation pressure considerations,
32–34Chemical time scales,
246CHEMRATE (calculated database),
736CHEMThermo (program),
738Clausius–Clapeyron equation,
503Closed spherical bomb method,
180Coal
molecule, hypothetical,
515fCombustion
kinetics, programs for
model analysis and mechanism reduction,
744–745thermochemical parameters,
735transport parameters,
736evaporation coefficient of,
323–327CONP (Fortran program),
740Convective atmospheres, burning in,
351–358plastics, burning rates of,
357–358COSILAB (combustion simulation software),
741–744Coupled thermal systems,
62–64CRESLAF (Chemically Reacting Shear Layer Flow),
744CSP (Computational Singular Perturbation) method,
744C
2H
6/CH
4/CH
3OH/CH
2O/CO/H
2/O
2 mechanism,
662t–665tCyclic compounds, laminar flame speeds of,
698t–701tCylindrical tube method,
179Deflagration
burned gases speed sound determination, for conditions above Chapman–Jouguet point,
269–273entropy behavior along Hugoniot curve,
269distinguished
dynamic detonation parameters,
292–293Chapman–Jouguet point, uniqueness of,
260–269premixed and diffusion flames,
255Diffusion-controlled burning rate,
503–514boron particles, burning of,
510–511metals in nearly pure oxygen, burning of,
504–506, 506fsmall particles, burning of,
506–510evaporation coefficient of,
323–327convective atmospheres, burning in,
351–358plastics, burning rates of,
357–358
droplet clouds, burning of,
350–351conserved scalars and mixture fraction,
319–320Distributed activation energy model,
517Droplet clouds, burning of,
350–351Elemental sulfur, oxidative mechanisms of,
433Emissions
carbon monoxide emission,
415fcarbon particulate emission,
439from an oil-fired laboratory furnace,
415fEntropy behavior, along Hugoniot curve,
269Environmental combustion considerations,
393–476flame structure, effect of,
403secondary pollutants,
395sulfur fuels, oxidative mechanisms of,
426–438fuel–nitrogen interactions,
438fuel–sulfur interactions,
438nitrogen dioxide, reaction mechanisms of,
417–418sulfur oxides
EQUIL (Fortran program),
739Equilibrium constants,
8–15Ethene (C
2H
4), thermochemical data of,
541t–646tExplosion
distinguished from detonation,
255–256limits
First law of thermodynamics,
, 8–10Fischer–Tropsch catalytic synthesis,
522FITDAT (Fortran code),
735FlameMaster v3.3 (C++ program),
501, 743Flame propagation, through stratified combustible mixtures,
208–210closed spherical bomb method,
180cylindrical tube method,
179Flame temperature calculations,
16–31FLASHCHAIN (network model),
518by adiabatic compression and shock waves,
384–385, 386tFractional conversion, pressure effect in,
58Fuel gases
Fuel–nitrogen interactions, oxidative mechanisms of,
438Fuel–sulfur interactions, oxidative mechanisms of,
438Functional group depolymerization, vaporization, and cross-linking (FG-DVC) model,
518conserved scalars and mixture fraction,
319–320GASEQ (PC based equilibrium program),
740Halocarbons
bond dissociation energies,
688tin troposphere, residence time of,
471tHCT (Hydrodynamics, Chemistry, and Transport),
740–741, 743Heats
Heat transfer
Helmholtz free energy,
20High-temperature methane oxidation,
108–110Hugoniot curve
reaction rate, negative coefficient of,
97–98, 98flaminar flame speeds
low-temperature hydrocarbon oxidation,
99–104autoignition chemistry of,
104fchain branching and steady reaction steps, competition between,
101large hydrocarbon radicals, isomerization in,
102–104organic nomenclature of,
92–96
Chapman–Jouguet point, uniqueness of,
260–269Hydrogen (H2)
Hydrogen, monatomic (H), thermochemical data of,
541t–646tHydrogen–air combustion, equilibrium product composition of,
29tHydrogen–oxygen combustion, equilibrium product composition of,
29tHydroperoxyl (HO
2), thermochemical data of,
541t–646tHydroxyl (OH), thermochemical data of,
541t–646tby adiabatic compression and shock waves,
384–385, 386tInorganic compounds, laminar flame speeds of,
698t–701tIntegrated gasification combined cycle (IGCC),
522–524Isomerization, in large hydrocarbon radicals,
102–104conserved scalars and mixture fraction,
319–320Karlovitz flame stretch factor,
223KINALC (Fortran program),
745Kinetic parameters, programs for,
735–736model analysis and mechanism reduction,
744–745thermochemical parameters,
735transport parameters,
736Laminar flame
Mallard–Le Chatelier theory,
155–159
Large reaction mechanisms, chemical kinetics of,
59–65chemical reacting systems,
62–64coupled thermal systems,
62–64mechanism simplification,
64–65rate-of-production analysis,
62sensitivity analysis,
60–61Law of Heat Summation,
Low-temperature oxidation mechanism
LSENS (sensitivity analysis program),
741Magnesium (Mg), thermochemical data of,
541t–646tMagnesium oxide (MgO), thermochemical data of,
541t–646tMass transfer
MECHMOD (Fortran program),
738Merryman–Levy sequence,
418Metaboric acid (BHO
2), thermochemical data of,
541t–646tvapor-phase combustion, criterion for,
478, 479tMetals in nearly pure oxygen, burning of,
504–506, 506fMethane (CH4)
laminar flame velocities, in inert gas–oxygen mixtures,
186–187, 187fhigh-temperature mechanism,
108–110Methylcyclohexane (MCH), gas-phase and supercritical-phase decomposition of,
134f, 133National Institute of Standards and Technology (NIST),
735chemical kinetics database,
736NBS Thermochemical Tables,
4–5Negative temperature coefficient,
97–98, 98fNewton’s law of viscosity,
327NIST-JANAF Thermochemical Tables,
4–5Nitrate ion (NO
3), structure of,
402tNitrogen (N2)
-containing compounds, bond dissociation energies,
687tNitrogen, monatomic (N), thermochemical data of,
541t–646tflame structure, effect of,
403Nitrogen oxide, ion (NO
+), thermochemical data of,
541t–646tNitrogen pentoxide, structure of,
402tNitrogen tetroxide (N
2O
4), structure of,
402tNongaseous media, detonation in,
296–297Nonvolatile fuels, combustion of,
477–536carbon char combustion,
477diffusion-controlled burning rate,
503–514boron particles, burning of,
510–511metals in nearly pure oxygen, burning of,
504–506, 506fsmall particles, burning of,
506–510O
3/N
xO
y/CO/H
2/O
2 mechanism,
674tOPPDIF (Fortran program),
743Organic nomenclature, of hydrocarbons,
92–96aromatic compounds,
93–94Organic sulfur compounds, oxidative mechanisms of,
433–435Oxidation
Oxides, heats of formation of,
498, 498tOxygen (O
2), thermochemical data of,
541t–646tOxygen, monatomic (O), thermochemical data of,
541t–646tPartial equilibrium assumption,
57–58Peroxyacetyl nitrate (PAN),
96, 394
Peroxyacyl nitrate,
96, 394Photochemical smog, nature of,
394–400secondary pollutants,
395Plastics, burning rates of,
357–358Polyaromatic hydrocarbons (PAH),
94Practical carbonaceous fuels,
514–527pulverized coal char oxidation,
520–522PREMIX (Fortran program),
742Premixed combustible gases, flame phenomena in,
147–254, 148fcombustion in small volumes,
245–248flame propagation through stratified combustible mixtures,
208–210Mallard–Le Chatelier theory,
155–159laminar flames, stability limits of,
189–208Pressure-dependent reactions,
46, 56Pressure effect, in fractional conversion,
58Process Information Model (PrIMe),
680Propane–air combustion, equilibrium product composition of,
28tPropane–oxygen combustion, equilibrium product composition of,
28tPseudo-first-order reactions,
54–56PSR (Fortran program),
741Pulverized coal char oxidation,
520–522RADICALC (computer code),
735Rate-of-production analysis,
62Reaction Mechanism Generation (RMG),
737Reaction mechanisms
Reaction rates and temperature dependence,
41–49transition state theory,
45–49Recombination rate theory,
45–49RUN-1DL (computer code),
743Second law of thermodynamics,
8–10Secondary pollutants,
395Self-propagating high-temperature synthesis (SHS),
495–499, 497tSemenov approach
SENKIN (computer program),
740Sensitivity analysis,
60–61SHOCK (computer program),
742Shock tubes, programs for,
742Simultaneous interdependent reactions,
50Single fuel droplets, in quiescent atmospheres,
327–349Small particles, burning of,
506–510Small volumes, combustion in,
245–248Soot(ing)
physical and chemical parameters on, influence of,
463–466specific surface growth rate,
450–451Spontaneous combustion,
385Stagnation pressure,
32–34STANJAN (interactive program),
21, 739Steady-state approximation,
57Stirred reactors
Stratified combustible mixtures, flame propagation through,
208–210Subsonic combustion thermodynamics,
31–34stagnation pressure considerations,
32–34Substituted alkyls, laminar flame speeds of,
698t–701tSulfates, oxidative mechanisms of,
435–438Sulfur, monatomic (S), thermochemical data of,
541t–646tSulfur compounds, structure of,
425–426Sulfur-containing compounds, bond dissociation energies,
686tSulfur dioxide (SO
2), thermochemical data of,
541t–646tSulfur fuels, oxidative mechanisms of,
426–438fuel–nitrogen interactions,
438fuel–sulfur interactions,
438Sulfur monoxide (SO), thermochemical data of,
541t–646tSulfur oxides (SOx)
sulfur compounds, structure of,
425–426Sulfur trioxide (SO3)
Supercritical effects, of higher-order hydrocarbon oxidation,
132–135, 134fSupersonic combustion thermodynamics,
31–34stagnation pressure considerations,
32–34SURFACE CHEMKIN (Fortran package),
737SURFTHERM (Fortran program),
737Temporal kinetics, programs for,
740–741THERM (computer program),
735Thermal spontaneous ignition,
368–378Thermochemical data
Thermochemical parameters, programs for,
735Thermodynamic equilibrium, programs for,
738–740vapor-phase combustion, criterion for,
478, 479tTheory
Thio ethers, laminar flame speeds of,
698t–701tTitanium (Ti), thermochemical data of,
541t–646tTitanium dioxide (TiO
2), thermochemical data of,
541t–646tTitanium oxide (Ti
3O
5), thermochemical data of,
541t–646tTitanium oxide (TiO), thermochemical data of,
541t–646tTRANFIT (Fortran code),
736Transition state theory,
45–49Transport parameters, programs for,
736Turbulent combustion regimes,
230fUNIMOL (Fortran code),
735Unsaturated hydrocarbons, laminar flame speeds,
698t–701tVapor-phase combustion, criterion for,
478, 479tWater (H2O)
Waves
XSENKPLOT (graphics postprocessor),
745Xylan, chemical structure of,
515fYield