Index

Note: Page numbers followed by “f” and “t” refer to figures and tables, respectively.

A
Acetaldehyde, 94–95
See also Ethanol
Acetic acid, 95–96
Acetylene (C2H2), 92–93
oxidation of, 116–120
thermochemical data of, 541t–646t
Acetylene–air diffusion flame, structure of, 302f
Adiabatic compression, ignition by, 384–385, 386t
Adiabatic flame temperatures, of hydrocarbons, 651t–653t
AIM (sensitivity analysis program), 744–745
Alcohols, 94
oxidation of, 120–123
Aldehydes, 94–95
laminar flame speeds of, 698t–701t
oxidation of, 105–106
Aliphatic hydrocarbons, 111–141
acetylene oxidation, 116–120
olefin oxidation, 116–120
paraffin oxidation, 112–116
Alkanes, bond dissociation energies, 681t
Alkenes, bond dissociation energies, 682t–684t
Alkylated aromatics, oxidation of, 128–132
Alkyl compounds, 92–93
Alkynes, bond dissociation energies, 682t–684t
Aluminum (Al), thermochemical data of, 541t–646t
Aluminum nitride (AlN), thermochemical data of, 541t–646t
Aluminum oxide (Al2O), thermochemical data of, 541t–646t
Aluminum oxide (Al2O3), thermochemical data of, 541t–646t
Ammonia (NH3), thermochemical data of, 541t–646t
Aromatic compounds, 93–94
bond dissociation energies, 682t–684t
laminar flame speeds of, 698t–701t
Aromatic hydrocarbons, oxidation of, 123–132
alkylated aromatics, 128–132
benzene, 124–128, 129f
Arrhenius rate expression, 43–45, 44f
Autoignition temperature (AIT), 364–365, 365f
Avogadro’s number, 327
B
Benzene, 93–94
oxidation, 124–128, 129f
Beryllium (Be), thermochemical data of, 541t–646t
Beryllium oxide (BeO), thermochemical data of, 541t–646t
Biofuels, oxidation of, 135–141, 135f–136f
Bluff-body flame stabilization, 236–238, 238f, 242–244
Boiling temperature, 478–480
Bond dissociation energies
of alkanes, 681t
of alkenes, 682t–684t
of alkynes, 682t–684t
of aromatics, 682t–684t
of C/H/O compounds, 685t
of halocarbons, 688t
of nitrogen-containing compounds, 687t
of sulfur-containing compounds, 686t
Boron (B), thermochemical data of, 541t–646t
Boron dioxide (BO2), thermochemical data of, 541t–646t
Boron monoxide (BO), 510
thermochemical data of, 541t–646t
dimeric (BO)2, 541t–646t
Boron oxide (B2O3), thermochemical data of, 541t–646t
Boron particles, burning of, 510–511
Boudouard reaction, 513, 523–525
Boundary layer flow, programs for, 744
Burke–Schumann development, 312–318, 315f
Burned gases speed sound determination, for conditions above Chapman–Jouguet point, 269–273
burned gas speed, 272–273
entropy behavior along Hugoniot curve, 269
Hugoniot curve, concavity of, See Hugoniot curve
Burner method, 178, 179f
Burning
of boron particles, 510–511
of droplet clouds, 350–351
fuel gases, burning velocities of, 702t–703t
of metals in nearly pure oxygen, 504–506
of small particles, 506–510
C
CANTERA (software package), 739–741, 743
Carbon (C)
char combustion, 477
particle combustion, 511–514, 512f–513f
thermochemical data of, 541t–646t
Carbon dioxide (CO2), 524
thermochemical data of, 541t–646t
Carbon disulfide (CS2), oxidative mechanisms of, 431–432
Carbon monoxide (CO)
explosion limits of, 86–91, 86f
oxidation characteristics of, 86–91, 89f–90f, 98f
thermochemical data of, 541t–646t
Carbonyl sulfide, oxidative mechanisms of, 431–432
Catalytic combustion, 530–534, 531f, 533f
Catalytic ignition, 389–390
CEA (Chemical Equilibrium with Applications), 738–739, 744
CEC (computer program), 739
Cellular detonation front, 288–292, 288f–290f
Cellulose, chemical structure of, 515f
C/H/O compounds, bond dissociation energies
carbon-centered radicals, 685t
oxygen-centered radicals, 685t
CH2O/CO/H2/O2 mechanism, 658t
CH3OH/CH2O/CO/H2/O2 mechanism, 658t–659t
CH4/CH3OH/CH2O/CO/H2/O2 mechanism, 660t–661t
Chain branching reactions, 71–78, 71f
Chain length, 78
Chain reactions, 51–54, 52f
Chain spontaneous ignition, 366–367
Chapman–Jouguet (C–J) point, 150
burned gases speed sound determination for conditions above, 269–273
burned gas speed, 272–273
entropy behavior along Hugoniot curve, 269
Hugoniot curve, concavity of, See Hugoniot curve
uniqueness of, 260–269
Char combustion, 519–520, 519f
carbon char combustion, 477
CHEMACT (computer code), 735–736
CHEMClean (programs), 737
CHEMDiffs (programs), 737
Chemical kinetics, 41–70
chain reactions, 51–54, 52f
database, 736
fractional conversion, pressure effect in, 58
large reaction mechanisms, chemical kinetics of, 59–65
chemical reacting systems, 62–64
coupled thermal systems, 62–64
mechanism simplification, 64–65
rate-of-production analysis, 62
sensitivity analysis, 60–61
partial equilibrium assumption, 57–58
pseudo-first-order reactions, 54–56
reaction rates and temperature dependence, 41–49
Arrhenius rate expression, 43–45, 44f
recombination rate theory, 45–49
transition state theory, 45–49
simultaneous interdependent reactions, 50
Chemical looping combustion, 526f, 527t
Chemical percolation devolatilization (CPD), 518
Chemical reacting systems, 62–64
Chemical thermodynamics
equilibrium constants, 8–15
flame temperature calculations, 16–31
analysis of, 16–20
practical considerations for, 21–31, 22f, 24f–27f, 27t–29t, 30f
free energy, 8–15
heats
of formation, 1–8, 6t
of reaction, 1–8, 3f
sub and supersonic combustion thermodynamics, 31–34
comparisons, 31–32
stagnation pressure considerations, 32–34
Chemical time scales, 246
CHEMKIN (program), 21, 166–167
CHEMKIN-II, 736–737
CHEMKIN III, 736
CHEMKIN REAL-GAS, 737
CHEMRATE (calculated database), 736
CHEMRev (program), 738
CHEMThermo (program), 738
Chlorides, heats of formation of, 499–500, 499t
Clausius–Clapeyron equation, 503
Closed spherical bomb method, 180
CLOX catalytic cycle, 470–471
Coal
combustion, 477, 520–521
gasification, 424
molecule, hypothetical, 515f
Coannular burners, 455–456
CO/H2/O2 mechanism, 657t–658t
Combustion
kinetics, programs for
boundary layer flow, 744
detonations, 744
diffusion flames, 743
kinetic parameters, 735–736
model analysis and mechanism reduction, 744–745
premixed flames, 742–743
reaction mechanisms, 736–738
shock tubes, 742
stirred reactors, 741
temporal kinetics, 740–741
thermochemical parameters, 735
thermodynamic equilibrium, 738–740
transport parameters, 736
of nonvolatile fuels, 477–536
in small volumes, 245–248
Compression, adiabatic, 384–385, 386t
Condensed phases, burning of, 322–349, 323f
evaporation coefficient of, 323–327
mass considerations for, 323–327
single fuel droplets, in quiescent atmospheres, 327–349, 330f, 340t, 345f, 349f–350f
CONP (Fortran program), 740
Convective atmospheres, burning in, 351–358
flowing droplet case, 355–356
longitudinally burning surface, 353–355, 353f–354f
plastics, burning rates of, 357–358
stagnant film case, 351–353, 351f
Conversion factors, 540t
Cool flames, 98–99, 138
COSILAB (combustion simulation software), 741–744
Couette flow, 209–210
Coupled thermal systems, 62–64
CRESLAF (Chemically Reacting Shear Layer Flow), 744
CSP (Computational Singular Perturbation) method, 744
C2H6/CH4/CH3OH/CH2O/CO/H2/O2 mechanism, 662t–665t
C3H8 oxidation mechanism, 665t–668t
Cyclic compounds, laminar flame speeds of, 698t–701t
Cycloparaffins, 92–93
Cylindrical tube method, 179
D
Damkohler number, 218, 220, 225, 234–235, 241, 247, 505, 507
Decomposition temperature, 478–480, 486–487
Deflagration
definition of, 150–151
distinguished from detonation, 255–256, 256t
Detonations, 255–300
burned gases speed sound determination, for conditions above Chapman–Jouguet point, 269–273
burned gas speed, 272–273
entropy behavior along Hugoniot curve, 269
Hugoniot curve, concavity of, See Hugoniot curve
cellular detonation front, 288–292, 288f–290f
distinguished
from deflagration, 255–256, 256t
from explosion, 255–256
dynamic detonation parameters, 292–293
Hugoniot relations, 259–277
hydrodynamic theory of detonations, 259–277, 260f
Chapman–Jouguet point, uniqueness of, 260–269
Hugoniot curve, characterization of, 260–269, 264f, 268f
in nongaseous media, 296–297
onset of, 256–258
phenomena, 258–259
premixed and diffusion flames, 255
programs for, 744
velocity, calculation of, 273–277
comparison with experimental result, 277–284, 277t–278t, 280f–284f
waves, ZND structure of, 284–287, 285f, 286t, 287f
Devolatilization, 514–519
Diffusional kinetics, 501–503
Diffusion-controlled burning rate, 503–514
boron particles, burning of, 510–511
carbon particle combustion, 511–514, 512f–513f
metals in nearly pure oxygen, burning of, 504–506, 506f
small particles, burning of, 506–510
Diffusion flames, 255, 301–362
condensed phases, burning of, 322–349, 323f
evaporation coefficient of, 323–327
mass considerations for, 323–327
single fuel droplets, in quiescent atmospheres, 327–349, 330f, 340t, 345f, 349f–350f
convective atmospheres, burning in, 351–358
flowing droplet case, 355–356
longitudinally burning surface, 353–355, 353f–354f
plastics, burning rates of, 357–358
stagnant film case, 351–353, 351f
droplet clouds, burning of, 350–351
gaseous fuel jets, 301–322
appearance of, 302–306, 303f–304f
Burke–Schumann development, 312–318, 315f
conserved scalars and mixture fraction, 319–320
structure of, 306–309, 307f–308f
theoretical considerations for, 309–312, 309f
turbulent fuel jets, 320–322, 321f
programs for, 743
Distributed activation energy model, 517
Droplet clouds, burning of, 350–351
Droplet combustion, 350–351
E
Elemental sulfur, oxidative mechanisms of, 433
Emissions
carbon monoxide emission, 415f
carbon particulate emission, 439
nitrogen oxide, 393, 400–401, 414, 419
from an oil-fired laboratory furnace, 415f
sulfur oxide, 424–438
Energy equation, 174
Entropy behavior, along Hugoniot curve, 269
Environmental combustion considerations, 393–476
nitrogen oxide, 400–424
flame structure, effect of, 403
formation mechanisms of, 418–419
photochemical smog, 394–400
reaction mechanisms of, 403–419, 407f–411f, 413f, 417f
reduction of, 419–424, 422t
structure of, 402, 402t
particulate formation, 438–466
soot(ing), See Soot(ing)
primary pollutants, 395
secondary pollutants, 395
stratospheric ozone, 466–471
CLOX catalytic cycle, 470–471
HOx catalytic cycle, 467
NOx catalytic cycle, 468–470
sulfur fuels, oxidative mechanisms of, 426–438
carbon disulfide, 431–432
carbonyl sulfide, 431–432
elemental sulfur, 433
fuel–nitrogen interactions, 438
fuel–sulfur interactions, 438
hydrogen sulfide, 427–431, 428f, 430t
nitrogen dioxide, reaction mechanisms of, 417–418
organic sulfur compounds, 433–435
sulfates, 435–438
sulfur trioxide, 435–438, 436f
sulfur oxides
emissions, 424–438
photochemical smog, 398–400
product composition, 425–426, 426f
EQUIL (Fortran program), 739
Equilibrium constants, 8–15
Esters, laminar flame speeds of, 698t–701t
Ethanoic acid, See Acetic acid
Ethanol, 94
Ethene (C2H4), thermochemical data of, 541t–646t
Ethers, 96
laminar flame speeds of, 698t–701t
Explosion
criteria for, 71–78
distinguished from detonation, 255–256
limits
of carbon monoxide, 86–91, 86f
of hydrocarbons, 96–99, 97f
of hydrogen, 78–85, 80f, 84f
F
Falloff range, 55–56
Fanno–Rayleigh conditions, 33–34, 33f
Fatty acid methyl esters (FAMEs), 135–137, 140
Fick’s law, 310, 326–327
First law of thermodynamics, 3, 8–10
Fischer–Tropsch catalytic synthesis, 522
FITDAT (Fortran code), 735
FlameMaster v3.3 (C++ program), 501, 743
Flame propagation, through stratified combustible mixtures, 208–210
Flame speed measurements, 174–182, 175f, 177f
burner method, 178, 179f
closed spherical bomb method, 180
cylindrical tube method, 179
flat flame burner method, 180–182, 181f–182f
soap bubble method, 179–180
Flame temperature calculations, 16–31
analysis of, 16–20
practical considerations for, 21–31, 22f, 24f–27f, 27t–29t, 30f
Flammability limits, 189–197, 190t–191t, 192f, 194f–195f
FLASHCHAIN (network model), 518
Flat flame burner method, 180–182, 181f–182f
Forced ignition, 366, 378–385
by adiabatic compression and shock waves, 384–385, 386t
minimum ignition energy, 379–384, 381f, 383f–384f
spark ignition, 379–384
Formaldehyde, 94–95
Formic acid, 95–96
Fourier heat conduction law, 324, 326–327
Fractional conversion, pressure effect in, 58
Frank–Kamenetskii numbers, 218–219
Frank–Kamenetskii theory of thermal ignition, 160–166, 373–378
nonstationary solution, 376–378
stationary solution, 373–376
Free energy, 8–15
Gibbs, 8–10, 13–14, 20
Helmholtz, 20
Freons, 188–189
Froude number, 317–318
Fuel gases
burning velocities of, 702t–703t
flammability limits in air, 689, 690t–696t
of fuels gases and vapor, 690t–696t
Fuel–nitrogen interactions, oxidative mechanisms of, 438
Fuel–sulfur interactions, oxidative mechanisms of, 438
Functional group depolymerization, vaporization, and cross-linking (FG-DVC) model, 518
G
Gaseous fuel jets, 301–322
appearance of, 302–306, 303f–304f
Burke–Schumann development, 312–318, 315f
conserved scalars and mixture fraction, 319–320
structure of, 306–309, 307f–308f
theoretical considerations for, 309–312, 309f
turbulent fuel jets, 320–322, 321f
GASEQ (PC based equilibrium program), 740
Gasification, 324, 358
of coal, See Coal
of practical carbonaceous fuels, 522–527, 523f, 525f–526f
Gibbs free energy, 8–10, 13–14, 20
H
Halocarbons
bond dissociation energies, 688t
in troposphere, residence time of, 471t
HCl/NxOy/CO/H2/O2 mechanism, 673t–674t
HCT (Hydrodynamics, Chemistry, and Transport), 740–741, 743
Heats
of formation, 1–8, 6t
of reaction, 1–8, 3f
Heat transfer
with chemical reaction, 335–345, 340t, 345f
without chemical reaction, 329–335, 330f
Helmholtz free energy, 20
Higher-order hydrocarbon oxidation, 111–141, 111t
alcohol, 120–123
aliphatic hydrocarbons, 111–120, 113f
aromatic hydrocarbons, 123–132
supercritical effects of, 132–135, 134f
High-temperature methane oxidation, 108–110
High-velocity streams, flame stabilization in, 235–245, 236f–240f, 243f
HOx catalytic cycle, 467
H2/O2 mechanism, 656t–657t
Hugoniot curve
characterization of, 260–269, 264f, 268f
concavity of, 269–271, 270f–271f
Hugoniot equation, 261–263
Hydrocarbons, 91–104
adiabatic flame temperatures of, 651t–653t
explosion limits of, 96–99, 97f
cool flames, 98–99
reaction rate, negative coefficient of, 97–98, 98f
higher-order hydrocarbon oxidation, 111–141, 111t
alcohol, 120–123
aliphatic hydrocarbons, 111–120, 113f
aromatic hydrocarbons, 123–132
laminar flame speeds
saturated hydrocarbons, 698t–701t
unsaturated hydrocarbons, 698t–701t
low-temperature hydrocarbon oxidation, 99–104
autoignition chemistry of, 104f
chain branching and steady reaction steps, competition between, 101
large hydrocarbon radicals, isomerization in, 102–104
organic nomenclature of, 92–96
Hydrodynamic theory of detonations, 259–277, 260f
Chapman–Jouguet point, uniqueness of, 260–269
Hugoniot curve, characterization of, 260–269, 264f, 268f
Hydrogen (H2)
explosion limits of, 78–85, 80f, 84f
oxidation characteristics of, 78–85, 83f, 85t
thermochemical data of, 541t–646t
Hydrogen, monatomic (H), thermochemical data of, 541t–646t
Hydrogen–air combustion, equilibrium product composition of, 29t
Hydrogen–oxygen combustion, equilibrium product composition of, 29t
Hydrogen sulfide, oxidative mechanisms of, 427–431, 428f, 430t
Hydroperoxyl (HO2), thermochemical data of, 541t–646t
Hydroxyl (OH), thermochemical data of, 541t–646t
Hypergolicity, 386–389, 389f
I
Ignition, 363–392
catalytic, 389–390
chain spontaneous, 366–367
direct, 256–257
forced, 366, 378–385
by adiabatic compression and shock waves, 384–385, 386t
minimum ignition energy, 379–384, 381f, 383f–384f
spark ignition, 379–384
hypergolicity, 386–389, 389f
pyrophoricity, 386–389, 389f
spontaneous ignition temperature data, 705, 706t–729t
thermal spontaneous, 368–378
Frank–Kamenetskii theory, 373–378
Semenov approach, 368–373, 369f, 372f
Inorganic compounds, laminar flame speeds of, 698t–701t
Integrated gasification combined cycle (IGCC), 522–524
Isomerization, in large hydrocarbon radicals, 102–104
J
JANAF Thermochemical Tables, 4–5, 13–15, 21, 478–480, 486, 539
Jet diffusion flame, 301–322
appearance of, 302–306, 303f–304f
Burke–Schumann development, 312–318, 315f
conserved scalars and mixture fraction, 319–320
structure of, 306–309, 307f–308f
theoretical considerations for, 309–312, 309f
turbulent fuel jets, 320–322, 321f
K
Karlovitz flame stretch factor, 223
Karlovitz number, 225–226
Ketones, 95
laminar flame speeds of, 698t–701t
KINALC (Fortran program), 745
Kinetic parameters, programs for, 735–736
boundary layer flow, 744
detonations, 744
diffusion flames, 743
model analysis and mechanism reduction, 744–745
premixed flames, 742–743
reaction mechanisms, 736–738
shock tubes, 742
stirred reactors, 741
temporal kinetics, 740–741
thermochemical parameters, 735
thermodynamic equilibrium, 738–740
transport parameters, 736
Klimov–Williams criterion, 225–227, 225f
Knudsen number, 245, 507–509
Kobayashi Model, 516–517
L
Laminar flame
energy equation of, 174
speed, 153–189, 153f, 697
aldehydes, 698t–701t
aromatic compounds, 698t–701t
comprehensive theory, 166–174
energy equation, 174
ethers, 698t–701t
Frank–Kamenetskii theory, 160–166
ketones, 698t–701t
Mallard–Le Chatelier theory, 155–159
measurements of, 174–182, 175f, 177f, 179f, 181f–182f
methane, 698t–701t
See also Methane (CH4)
peroxides, 698t–701t
physical and chemical effects, 182–189, 184f–187f
premixed combustible gases, See Premixed combustible gases, flame phenomena in
Semenov theory, 160–166
Zeldovich theory, 160–166
stability limits of, 189–208
design and stability limits, 205–208, 206f–207f
flammability limits, 189–197, 190t–191t, 192f, 194f–195f
low velocity flame stabilization, 198–205, 199f–205f
quenching distance, 197–198, 198f
structure, 151–152, 151f
velocity, 150
Large reaction mechanisms, chemical kinetics of, 59–65
chemical reacting systems, 62–64
coupled thermal systems, 62–64
mechanism simplification, 64–65
rate-of-production analysis, 62
sensitivity analysis, 60–61
Law of Heat Summation, 4
Law of mass action, 42
Le Chatelier’s principle, 17–18, 25–30
LENS, 741–742
Lewis number, 160, 166, 223–224, 229–231, 305, 327, 342, 346, 350
Lignocellulosic biomass, 514–516
Limiting temperature, 480–481, 486
Low-temperature oxidation mechanism
hydrocarbon, 99–104, 104f
See also Hydrocarbons
methane, 106–108
See also Methane (CH4)
Low velocity flame stabilization, 198–205, 199f–205f
LSENS (sensitivity analysis program), 741
M
Mach number, 258–259, 280, 295
Magnesium (Mg), thermochemical data of, 541t–646t
Magnesium oxide (MgO), thermochemical data of, 541t–646t
Mallard–Le Chatelier theory, 155–159, 182–183
Mass burning rate expression, refinements of, 345–349, 349f–350f
Mass transfer
with chemical reaction, 335–345, 340t, 345f
without chemical reaction, 329–335, 330f
MECHMOD (Fortran program), 738
Merryman–Levy sequence, 418
Metaboric acid (BHO2), thermochemical data of, 541t–646t
Metal–air systems, thermodynamics of, 491–495, 491f, 492t, 493f, 494t, 495f
Metal combustion, 477
thermodynamics, 478–501
combustion synthesis, 495–501, 497t–498t
metal–air systems, thermodynamics of, See Metal–air systems, thermodynamics of
metal–oxygen systems, See Metal–oxygen systems, thermodynamics of
vapor-phase combustion, criterion for, 478, 479t
Metal–oxygen systems, thermodynamics of, 478–491, 481f–485f, 488f, 489t, 490f
Metals in nearly pure oxygen, burning of, 504–506, 506f
Methane (CH4)
flammability limits, 190t–191t, 192f
laminar flame velocities, in inert gas–oxygen mixtures, 186–187, 187f
oxidation of, 106–110
high-temperature mechanism, 108–110
low-temperature mechanism, 106–108
thermochemical data of, 541t–646t
Methanol, 94
Methyl butanoate, 136–137, 136f
Methylcyclohexane (MCH), gas-phase and supercritical-phase decomposition of, 134f, 133
Methyl linoleate, 135–136, 135f
Methyl linolenate, 135–136, 135f
Methyl oleate, 135–136, 135f
Methyl palmitate, 135–136, 135f, 140
Methyl stearate, 135–136, 135f
Minimum ignition energy, 379–384, 381f, 383f–384f
Molecularity, 42
N
Naphthalene, 94
National Institute of Standards and Technology (NIST), 735
chemical kinetics database, 736
NBS Thermochemical Tables, 4–5
Negative temperature coefficient, 97–98, 98f
Newton’s law of viscosity, 327
NIST-JANAF Thermochemical Tables, 4–5
Nitrate ion (NO3), structure of, 402t
Nitric oxide (NO), 393
structure of, 402t
Nitrides, heats of formation of, 499–500, 500t
Nitrogen (N2)
-containing compounds, bond dissociation energies, 687t
structure of, 402t
thermochemical data of, 541t–646t
Nitrogen, monatomic (N), thermochemical data of, 541t–646t
Nitrogen dioxide (NO2), 393–394
reaction mechanisms of, 417–418
structure of, 402t
thermochemical data of, 541t–646t
Nitrogen oxide (NOx), 400–424
catalytic cycle, 468–470
flame structure, effect of, 403
formation mechanisms of, 418–419
photochemical smog, 394–400
reaction mechanisms of, 403–419, 407f–411f, 413f, 417f
fuel-bound nitrogen, 414–417
thermal, 403–405, 406f
reduction of, 419–424, 422t
structure of, 402, 402t
thermochemical data of, 541t–646t
Nitrogen oxide, ion (NO+), thermochemical data of, 541t–646t
Nitrogen pentoxide, structure of, 402t
Nitrogen tetroxide (N2O4), structure of, 402t
Nitrous oxide (N2O), 393
structure of, 402t
Nongaseous media, detonation in, 296–297
Nonvolatile fuels, combustion of, 477–536
carbon char combustion, 477
catalytic combustion, 530–534, 531f, 533f
diffusion-controlled burning rate, 503–514
boron particles, burning of, 510–511
carbon particle combustion, 511–514, 512f–513f
metals in nearly pure oxygen, burning of, 504–506, 506f
small particles, burning of, 506–510
diffusional kinetics, 501–503
metal combustion, See Metal combustion
soot combustion, 477
See also Soot(ing)
soot oxidation, 527–530, 528f
See also Soot(ing)
Nusselt number, 325
NxOy/CO/H2/O2 mechanism, 668t–672t
O
Olefins, 92–93
oxidation of, 116–120
O3/NxOy/CO/H2/O2 mechanism, 674t
OPPDIF (Fortran program), 743
Opposed-jet diffusion flames, 442, 450–457, 454f–455f, 464
Organic acids, 95–96, 400
Organic nomenclature, of hydrocarbons, 92–96
alkyl compounds, 92–93
aromatic compounds, 93–94
alcohols, 94
aldehydes, 94–95
ester, 96
ether, 96
ketones, 95
organic acids, 95–96
organic salts, 96
peroxide, 96
Organic salts, 96
Organic sulfur compounds, oxidative mechanisms of, 433–435
Oxidation
of acetylenes, 116–120
of alcohol, 120–123
of aldehydes, 105–106
of aliphatic hydrocarbons, 111–120, 113f
of alkylated aromatics, 128–132
of aromatic hydrocarbons, 123–132
of benzene, 124–128, 129f
of biofuels, 135–141, 135f–136f
of carbon monoxide, 86–91, 89f–90f, 98f
of hydrocarbons, 99–104
of hydrogen, 78–85, 83f, 85t
of methane, 106–110
of olefins, 116–120
of paraffins, 112–116
of sulfur fuels, 426–438
Oxides, heats of formation of, 498, 498t
Oxycombustion, 522–527, 525f–526f
Oxygen (O2), thermochemical data of, 541t–646t
Oxygen, monatomic (O), thermochemical data of, 541t–646t
Ozone (O3), 394
thermochemical data of, 541t–646t
P
Paraffins, 92–93
oxidation of, 112–116
Partial equilibrium assumption, 57–58
Particle combustion, 494–495, 528
See also Carbon (C)
Particulate formation, 438–466
soot(ing), See Soot(ing)
Peclet number, 242, 380
Peroxides, 96
laminar flame speeds of, 698t–701t
Peroxyacetyl nitrate (PAN), 96, 394
Peroxyacyl nitrate, 96, 394
Phenol, 93–94
Photochemical smog, nature of, 394–400
NOx, effect of, 395–398
primary pollutants, 395
secondary pollutants, 395
SOx, effect of, 398–400
Physical constants, 540t
Plastics, burning rates of, 357–358
Polyaromatic hydrocarbons (PAH), 94
Practical carbonaceous fuels, 514–527
char combustion, 519–520, 519f
devolatilization, 514–519
gasification, See Gasification
oxycombustion, 522–527, 525f–526f
pulverized coal char oxidation, 520–522
Prandtl number, 160, 217, 325, 327, 354
PREMIX (Fortran program), 742
Premixed combustible gases, flame phenomena in, 147–254, 148f
combustion in small volumes, 245–248
flame propagation through stratified combustible mixtures, 208–210
high-velocity streams, flame stabilization in, 235–245, 236f–240f, 243f
laminar flame speed, 153–189, 153f
comprehensive theory, 166–174
energy equation, 174
Frank–Kamenetskii theory, 160–166
Mallard–Le Chatelier theory, 155–159
measurements of, 174–182, 175f, 177f, 179f, 181f–182f
physical and chemical effects, 182–189, 184f–187f
Semenov theory, 160–166
Zeldovich theory, 160–166
laminar flames, stability limits of, 189–208
design and stability limits, 205–208, 206f–207f
flammability limits, 189–197, 190t–191t, 192f, 194f–195f
low velocity flame stabilization, 198–205, 199f–205f
quenching distance, 197–198, 198f
laminar flame structure, 151–152, 151f
stirred reactor theory, 231–235, 232f, 234f
turbulent flames, 210–231, 219f–221f, 223f–225f
speed of, 227–231, 230f
turbulent reacting flows, 210–231
rate of reaction in, 212–215
regimes of, 215–227
Premixed flames, 255
programs for, 742–743
Pressure-dependent reactions, 46, 56
Pressure effect, in fractional conversion, 58
Primary pollutants, 395
Process Information Model (PrIMe), 680
Propanal, See Proprionaldehyde
Propane–air combustion, equilibrium product composition of, 28t
Propane–oxygen combustion, equilibrium product composition of, 28t
Proprionaldehyde, 94–95
Pseudo-boiling point, 487–488, 490
Pseudo-first-order reactions, 54–56
PSR (Fortran program), 741
Pulverized coal char oxidation, 520–522
Pyrophoricity, 386–389, 389f
Q
Quenching distance, 197–198, 198f, 383f, 731, 732t–734t
in detonations, 292–293
R
RADICALC (computer code), 735
Rate-of-production analysis, 62
Reaction Mechanism Generation (RMG), 737
Reaction mechanisms
nitrogen oxide, 403–419, 407f–411f, 413f, 417f
programs for, 736–738
Reaction rates and temperature dependence, 41–49
Arrhenius rate expression, 43–45, 44f
recombination rate theory, See Recombination rate theory
transition state theory, 45–49
Recombination rate theory, 45–49
Reynolds number, 216, 220, 225–226, 228, 239–240, 240f, 325, 350, 354
RUN-1DL (computer code), 743
S
Schmidt number, 160, 217, 327, 350, 353
Second law of thermodynamics, 8–10
Secondary pollutants, 395
Self-propagating high-temperature synthesis (SHS), 495–499, 497t
Semenov approach
of thermal ignition, 367
thermal spontaneous, 368–373, 369f, 372f
Semenov theory, 160–166
SENKIN (computer program), 740
Sensitivity analysis, 60–61
SHOCK (computer program), 742
Shock tubes, programs for, 742
Shock waves, 31–32
ignition by, 384–385
Silanes, laminar flame speeds of, 698t–701t
Simultaneous interdependent reactions, 50
Single fuel droplets, in quiescent atmospheres, 327–349
heat and mass transfer
with chemical reaction, 335–345, 340t, 345f
without chemical reaction, 329–335, 330f
mass burning rate expression, refinements of, 345–349, 349f–350f
Slagging deposits, 514
Small particles, burning of, 506–510
Small volumes, combustion in, 245–248
Soap bubble method, 179–180
Soot(ing)
characteristics of, 439–440
combustion, 477
equivalence ratios, 444t, 445f–446f
flames, structure of, 455–460, 456t, 457f, 459f–460f
formation, 440–441
chemical mechanisms of, 460–463, 462f
experimental systems and, 441–443
physical and chemical parameters on, influence of, 463–466
oxidation, 527–530, 528f
specific surface growth rate, 450–451
SOx/NxOy/CO/H2/O2 mechanism, 675t–678t
Spark ignition, 379–384
Species, thermochemical data for, 647t–649t
Spontaneous combustion, 385
Spontaneous ignition temperature, See Autoignition temperature (AIT)
Stagnation pressure, 32–34
STANJAN (interactive program), 21, 739
Steady-state approximation, 57
Stirred reactors
programs for, 741
theory of, 231–235, 232f, 234f
Stratified combustible mixtures, flame propagation through, 208–210
Stratospheric ozone, 466–471
CLOX catalytic cycle, 470–471
HOx catalytic cycle, 467
NOx catalytic cycle, 468–470
Stretch, 181–182
Subsonic combustion thermodynamics, 31–34
comparisons, 31–32
stagnation pressure considerations, 32–34
Substituted alkyls, laminar flame speeds of, 698t–701t
Sulfates, oxidative mechanisms of, 435–438
Sulfur, monatomic (S), thermochemical data of, 541t–646t
Sulfur compounds, structure of, 425–426
gaseous, 427t
Sulfur-containing compounds, bond dissociation energies, 686t
Sulfur dioxide (SO2), thermochemical data of, 541t–646t
Sulfur fuels, oxidative mechanisms of, 426–438
carbon disulfide, 431–432
carbonyl sulfide, 431–432
elemental sulfur, 433
fuel–nitrogen interactions, 438
fuel–sulfur interactions, 438
hydrogen sulfide, 427–431, 428f, 430t
organic sulfur compounds, 433–435
sulfates, 435–438
sulfur trioxide, 435–438, 436f
Sulfur monoxide (SO), thermochemical data of, 541t–646t
Sulfur oxides (SOx)
emissions, 424–438
product composition, 425–426
sulfur compounds, structure of, 425–426
photochemical smog, 398–400
product composition, 425–426, 426f
Sulfur trioxide (SO3)
oxidative mechanisms of, 435–438, 436f
thermochemical data of, 541t–646t
Supercritical effects, of higher-order hydrocarbon oxidation, 132–135, 134f
Supersonic combustion thermodynamics, 31–34
comparisons, 31–32
stagnation pressure considerations, 32–34
SURFACE CHEMKIN (Fortran package), 737
SURFTHERM (Fortran program), 737
T
Temporal kinetics, programs for, 740–741
THERM (computer program), 735
Thermal spontaneous ignition, 368–378
Frank–Kamenetskii theory, 373–378
Semenov approach, 368–373, 369f, 372f
Thermochemical data
acetylene (C2H2), 541t–646t
boron monoxide, dimeric (BO)2, 541t–646t
carbon, 541t–646t
carbon monoxide (CO), 541t–646t
hydrogen (H2), 541t–646t
methane (CH4), 541t–646t
nitrogen (N2), 541t–646t
nitrogen, monatomic (N), 541t–646t
nitrogen dioxide (NO2), 541t–646t
nitrogen oxide (NOx), 541t–646t
nitrogen oxide, ion (NO+), 541t–646t
oxygen, monatomic (O), 541t–646t
ozone (O3), 541t–646t
sulfur, monatomic (S), 541t–646t
sulfur trioxide (SO3), 541t–646t
water (H2O), 541t–646t
Thermochemical parameters, programs for, 735
Thermodynamic equilibrium, programs for, 738–740
Thermodynamics, 478–501
of metal combustion, 477
combustion synthesis, 495–501, 497t–498t
metal–air systems, thermodynamics of, 491–495, 491f, 492t, 493f, 494t, 495f
metal–oxygen systems, 478–491, 481f–485f, 488f, 489t, 490f
vapor-phase combustion, criterion for, 478, 479t
Theory
of stirred reactors, 231–235, 232f, 234f
Semenov theory, 160–166
Zeldovich theory, 160–166
Thio ethers, laminar flame speeds of, 698t–701t
Titanium (Ti), thermochemical data of, 541t–646t
Titanium dioxide (TiO2), thermochemical data of, 541t–646t
Titanium oxide (Ti3O5), thermochemical data of, 541t–646t
Titanium oxide (TiO), thermochemical data of, 541t–646t
Toluene, 93–94
oxidation, 131, 131f
TRANFIT (Fortran code), 736
Transition state theory, 45–49
Transport parameters, programs for, 736
Turbulent combustion regimes, 230f
Turbulent flames, 210–231, 219f–221f, 223f–225f
speed of, 227–231, 230f
Turbulent fuel jets, 320–322, 321f
Turbulent reacting flows, 210–231
rate of reaction in, 212–215
regimes of, 215–227
U
UNIMOL (Fortran code), 735
Unsaturated hydrocarbons, laminar flame speeds, 698t–701t
V
Vapor-phase combustion, criterion for, 478, 479t
Vapors, flammability limits in air, 689, 690t–696t
Volatilization temperature, 478–480, 486–488, 490–491
W
Water (H2O)
formation, 105
thermochemical data of, 541t–646t
vapor, 82, 419
Waves
See also Shock waves
compression waves, 257, 264–265
subsonic, 148, 150, 264
supersonic, 148–149
Zeldovich–von Neumann–Döring (ZND) structure of, 284–287, 285f, 286t, 287f
Wolfhard–Parker burners, 442, 450–451, 455–458
X
XSENKPLOT (graphics postprocessor), 745
Xylan, chemical structure of, 515f
Xylene, 93–94
Y
Yield
negative quantum yield, 396–398
photoyield, 72
Z
Zeldovich theory, 160–166
Zeldovich–von Neumann–Döring (ZND) structure, of detonation waves, 284–287, 285f, 286t, 287f
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