Flame Regimes

Premixed flame
Fuel and air mixed before entering combustion chamber

- Dangerous unless reactions can be controlled

Fuel-to-air ratio can be controlled precisely

- Useful in reducing pollutants

Used in stationary gas turbines

- Can lead to instabilities, not used so far in aircraft engines

Diffusion flame

Fuel and air mix and burn inside the combustion chamber
Fuel-to-air ratio will change within the chamber (spatially, temporally)

- Can lead to locally stoichiometric conditions and high emissions

More stable compared to premixed flames (for similar conditions)
Higher emissions

Premixed Flames: Explosions, Detonations, and Deflagrations

Premixed fuel-air mixture can burn in three different modes

Explosions
All spatial locations ignite almost simultaneously leading to very
high heat release rates

Detonation
A supersonic wave passes through followed by a thin reaction zone
Associated with significant pressure difference across wave

Deflagration
A subsonic wave passes through followed by a thin or broad
reaction zone
Minimal pressure difference across wave

If H2 and O2 react explosively, it is possible that such processes could occur

in a flame, which indeed they do. A fundamental question then is: What governs
the conditions that give explosive mixtures? In order to answer this question,

Explosions

Supply

Pump

H2, O2
1 atm
500!C

FIGURE
3.1 setup
Experimental configuration for the determination of H2O2 explosion limits.
Consider
above

Pressure and temperature can be individually varied

75

At a given temperature
Low pressure leads to explosions
CH03-P088573.indd 75

High pressure leads to explosions

No explosions in the intermediate pressure range

What causes these peculiar explosion characteristics?

7/24/2008 4:06:30 PM

Wall Effect

Combustion chamber walls can augment or reduce reaction rates

Wall effect

Process requires adsorption on surface as well as migration of

molecules

Walls can act as chain termination agents

2H + wall

! H2

Reaction rate depends on wall material

Explosive and General Oxidative Characteristics of Fuels

Explosion Limits at Stoichiometric Conditions

10,000

Th
ird
l

85

im

Pressure (mmHg)

1000

it

No
No explosion
Explosion

Fig. 3.1 Condition

100

it

m
d li

n
o
c
Se
10

Explosion
Explosion

First limi

400

440

480

520

560

Temperature ("C)

Explosion limits of a stoichoimetric H2O2 mixture (after Ref. [2]).

Three explosion limits

Region where explosion happens is called the explosion
FIGURE 3.2

explosion is in itself a branched chain phenomenon. Thus, one must consider

possible branched chain mechanisms to explain the limits.
Basically, only thermal, not photolytic, mechanisms are considered. The
peninsula
dissociation energy of hydrogen is less than that of oxygen, so the initiation can
be related to hydrogen dissociation. Only a few radicals are required to initiate

Explosion Limits

Explosive and General Oxidative Characteristics of Fuels

Based on competition between

10,000

radical generation and chain

termination
Below first explosion limit

Pressure (mmHg)

1000

Radical production balanced by

wall quenching
Key radical production

H2

Th

Pressure is low

lim
it

No
No explosion
Explosion

Fig. 3.1 Condition

100

mi
i
l
d

on
c
e
S
10

! 2 H + 106 kcal/mole

ird

Explosion
Explosion

First limi
t
0

400

440

480

520

560

- Rate of gas-phase collisions low

explosion is in itself a branched chain phenomenon. Thus, one
- Radicals able to diffuse to wall
possible branched chain mechanisms to explain the limits.
Temperature ("C)

FIGURE 3.2

Explosion limits of a stoichoimetric H2O2 mixture (after Ref.

Basically, only thermal, not photolytic, mechanisms are co

dissociation energy of hydrogen is less than that of oxygen, so th

Explosion Limits

Explosive and General Oxidative Characteristics of Fuels

Second limit

10,000

Higher pressure implies increased

radical generation

- Can diffuse to wall and terminate chain

Meta-stable (implies, lives for long time)

wall 1
HO2 ! H2 + O2 FIGURE 3.2
2

Pressure (mmHg)

1000

Formation of HO2

! HO2 + M

ird

lim

it

But, other reactions are also possible

H + O2 + M

Th

No
No explosion
Explosion

Fig. 3.1 Condition

100

mi
i
l
d

on
c
e
S
10

Explosion
Explosion

First limi

400

440

480

520

560

Temperature ("C)

Explosion limits of a stoichoimetric H2O2 mixture (after Ref

explosion is in itself a branched chain phenomenon. Thus, on

possible branched chain mechanisms to explain the limits.
Basically, only thermal, not photolytic, mechanisms are
dissociation energy of hydrogen is less than that of oxygen, so t

Explosion Limits

Explosive and General Oxidative Characteristics of Fuels

Third limit

10,000

Sufficient generation of free

radicals to overcome
termination reactions
No upper limit - only explosions
above this line

Explosion limits depend on the

fuel, pressure, fuel-to-air ratio

Explosion peninsula will be

different (and maybe, absent)
for some fuels
FIGURE 3.2

Pressure (mmHg)

1000

Th

ird

lim
it

No
No explosion
Explosion

Fig. 3.1 Condition

100

mi
i
l
d

on
c
e
S
10

Explosion
Explosion

First limi
t
0

400

440

480

520

560

Temperature ("C)

Explosion limits of a stoichoimetric H2O2 mixture (after Ref. [2]).

explosion is in itself a branched chain phenomenon. Thus, one must

possible branched chain mechanisms to explain the limits.
Basically, only thermal, not photolytic, mechanisms are conside
dissociation energy of hydrogen is less than that of oxygen, so the init

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C434

b4

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5434

b4

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Lower and Upper Explosion Limits (LEL and UEL)

24434

b4

53i

^53S

25434

b4

53S

^535

C4434

b4

53i

^535

LEL and UEL are based on

composition

Usually defined at some

pressure, temperature condition

LEL 20 C
LEL 80 C

UEL 20 C
UEL 80 C

150

initial pressure in bar

Volume pct. of fuel in mixture

200

100

50

# 1%'(2,'
&+3 4/'.(''/5+
Autoignition
temperature
0

#"6 78925'/5+ :/*/,' 5; <03)5=%+>?80=%+ $/8,()%'

*&+)9"9 .& 432 ;&%DE [C3

\(.7 *('(): ()(.(/% $*"''+*" .7" %&<"* "#$%&'(&) %(;(.' ()D
A*"/'" /)9 .7" +$$"* "#$%&'(&) %(;(.' 9"A*"/'"] <7(A7 ;"/)'
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>"7/=(&* &0 .7" 789*&:") (' 9(00"*"). .& .7" >"7/=(&* &0
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+$ .& 254 >/* <(.7 /(* /' &#(9(Z(): A&;$&)"). !'"" 1(:3 S,3

Minimum temperature at
specific pressure and fuel-toair ratio

6
94
fraction H2 in mol-%

95

96

97

D/=()% !" j*"''+*" 9"$")9")A" &0 .7" "#$%&'(&) %(;(.' &0 [C-NCD:/' ;(#.+*"'3

150

itial pressure in bar

Another metric to determine

67" "#$"*(;")./%
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/. WFX
self-sustained
ignition
or >8 / '.+D
9").Q' <&*G RPT /)9 / *"'"/*A7 $*&Y"A. R5T3 6/>3 2 /)9 1(:3 C
explosion
'+;;/*(Z"
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100

Deflagration and Detonation

Deflagration and detonation are different from previously studied

processes

Ignition, for instance

Requires flame propagation in space and time

Partial differential equations instead of ODEs

Need governing equations for flames

Similar to equations for fluids

- Additional equations for evolution for species

Continuity + momentum + energy + species

3. The Onset of Detonation

Deflagration
vs upon
Detonation
Depending
various conditions, an explosive medium may support either
a deflagration or a detonation wave. The most obvious conditions are confinement, mixture ratio, and ignition source.
Original studies of gaseous detonations have shown no single sequence of
events due primarily to what is now known as the complex cellular structure of
a detonation wave. The primary result of an ordinary thermal initiation always
appears to be a flame that propagates with subsonic
b speed.
b
bWhenbconditions are
U
such that the flame causes adiabatic compression of the still unreacted mixture
u
ahead ofuit, theu
flame velocity
increases. According to some early observations,

Unburnt
P

Burnt

u T P

TABLE 5.1 Qualitative

Deflagration in Gases

Differences

Between

Detonations

and

Usual magnitude of ratio

Ratio

Detonation

Deflagration

uu/cua

510

ub/uu

0.40.7

416

Pb/Pu

1355

0.980.976

Tb/Tu

821

416

b/u

1.42.6

0.060.25

cu is the acoustic velocity in the unburned gases. uu/cu is the Mach number of the wave.

0.00010.03

Governing Equations

Continuity (conservation of mass)

Uj
+
=0
t
xj
Note repeated index notation

Momentum (conservation of momentum)

Ui
Uj Ui
p
ij
+
=
+
,
t
xj
xi
xj
ij =

Uj
Ui
+
xj
xi

"

2
Uj
ij
3
xj

Species Transport Equations

Provides spatial and temporal distribution of scalar mass

fractions

Diffusion
velocity

@Y
@Uj Y
@Vj Y
+
+
= W ! = !
@t
@xj
@xj
Vj = Y Vj = Jj
Jj =

@Y
D
@xj

Species diffusivities are mixture-averaged binary diffusivities

Conservation of Energy

Definition of total enthalpy

(This is augmented from the ODE formulation in previous unit)

h=

Uj Uj
ht = h +
2
Y h h =

0
Hf,

@ht
@Uj ht
+
@t
@xj

cp, (T )dT
T0

@P
@Ui ji
=
+ Q
@t
@xj

@qj
@xj

Viscous term
External Heat Source
(Not Combustion
Heat Release)

Heat Flux

Stationary Detonation Reference Frame

Unburnt
Pu

uU
T u u

Burnt

ub Tb Pb b

Consider a reference frame in which the combustion wave is

stationary

Unburnt fluid will move towards the wave

Unburnt

uU
Pu T u u

State 1

Burnt
ub

Tb Pb b

State 2

1D Detonation Equations

Steady state equations (detonation wave is fixed)

du2
=
dx

d(u)
=0
dx

dP
d
du du
+

+
dx
dx
dx dx

d(uht )
=
dx

dq
d 4 du
+
u
dx dx 3 dx

q=

2 du

3 dx
dT
dx

For the moment, we will not consider species transport

Integral Analysis
Unburnt

uU
Pu T u u

State 1

Burnt
ub

Tb Pb b

State 2

Consider the control volume above

Integrating continuity, momentum, and energy over the volume
provides the integral equations

Assume that gradients in temperature and velocity vanish away

from the detonation wave

Detonation Integral Equations

u2 + P = constant

u = constant
uht = u Cp (T

Tref ) +

0
Hf,

1 2
+ u
2

= Constant

Unburnt state = 1, Burnt state = 2

1 u1 = 2 u2

1 u21 + P1 = 2 u22 + P2
1 2
1 2
C p T1 + u1 + q = C p T2 + u2
2
2
q=

(Y,1

0
Y,2 ) H,f

P1 = 1 R 1 T 1

P2 = 2 R 2 T 2

Rayleigh-line

From momentum balance

P2
2 2
1 u 1

P1 =

2
1 u 1

P2
=m
=
1/1
2

2
2 u2

P1
1/2

In coordinates of (P,1/density), denotes the equation for a line

- Termed the Rayleigh-line relation

Rankine-Hugoniot Relation

Energy equation
Cp =

1 2
1 2
C p T1 + u1 + q = C p T2 + u2
2
2

Eliminating temperature leads to

P2
2

From momentum equation

2
u1

P2

P1
1

2 2
+ u2
1

P1
1

1 2
u1
2

2
u2

2
u2

P1

=q

P2
2

1 2
+ u1
2

Rankine-Hugoniot Relation

Equation involving pressure, density and heat release

P2
2

P1
1

1
(P2
2

P1 )

1
1
+
1
2

25

20

P2

15

10

0
0

1/; 2

=q

Detonation/Deflagaration Regimes

Common Detonation/Deflagaration Conditions

Strong and weak detonations require special conditions

Upper C-J is the most commonly observed condition

Strong deflagration will require subsonic flow to be accelerated

to supersonic conditions

Not possible due to wave structure conditions

Only weak deflagration is possible

Upper Chapman-Jouget Point

From Rankine relation

(P2
dP2
=
2
d(1/2 )

P1 )

1
1 2

To match the slope at C-J point

dP2
P2
= 1
d(1/2 )
2
P2

P1

1
2

1
1

1
1

1 P2

P1
1
1

P2 2

1
2

Post-detonation Mach Number

P2

P1

1
2

1
1

P2 2

From Rayleigh equation

P2

P1

1
2

1
1

2 2
2 u 2

u2 = c 2
Post-detonation, the flow is at sonic conditions

Post-detonation Gases
Vw
V1

Initial gas at rest (V

What is V ?

V2

~ 0)

Velocity of post-detonation gas in laboratory reference frame

Vw = u 1 V 2 = V w
u 1 > u2 ) V 2 > 0

u2

n unstable reaction zone. The thickness of the detonation front was driven
eaction rates Idealised representation of the variation of physical properties
Detonation
Structure
-dimensional
ZNDWave
detonation
structure is shown in Figure 3-3 (Kuo,
ND model assumes that the propagation of detonation is sustained by
hock-induced
adiabatic compression.
According
the ZND model, sharp
Zeldovich-Von
Neumann-Doring
(ZND)tostructure
density gradients exist at the front of the detonation wave. The peak
There
is in
a finite
lag model
between
compression
and ignition
nd the
shock
wave
the ZND
is called
the von Neumann
spike.
essure spikeKnown
is predicted
to be much
than the C-J
as induction
lengthlarger
or induction
timepressure where all
are assumed to be in equilibrium.

Variation of physical properties through

ZND
detonation
Figure the
3-4. ZND
detonation
structurewave
on (p, 1/(Kuo,
) diagram wave (Kuo, 19

Multidimensional Detonation Structure

Detonation through triple points

Interaction of shocks

Leads to detonation cells

Figure 3-5. Smoked-foil measurement and schematic diagram of symmetric

interaction (Kuo, 1986).

curvature in the second half of the detonation

cell. The slight asymmetry of several of the
detonation cells is also very similar to that seen
experimentally. The size of the cell computed in
this case study is 0.031 m & 0.054 m. In addition
to the primary energy release that occurs behind
the Mach stem near the triple point, there is a
secondary energy release inside the detonation
cell, and this first appears about two-thirds of
the way through the cell. This secondary energy
release is due to the transverse wave detonations observed in the experiments of marginal
detonations [33, 34]. Recently, numerical simulations were used to describe the evolution of
the transverse shock structure from a single
Mach interaction to a strong or complex shock
interaction [35].
Figure 8 shows the temperature, pressure,
and energy-release contours in the vicinity of

Detonation Cell Sizes

Fig. 6. Enlargement of the temperature contours at step
7,000 (123.9 #s) in the region of the unstable slip line behind
the Mach stem, corresponding to Figure 5. A unstable slip
line. B decoupled reaction zone.

Cell sizes determined by spatial track of triple points

sensitivity of the detonation structure to the
form of the energy release and absorption, in
terms of the activation energy and heat capacity
of the gas [7, 12, 13].
Flow Structure around the Transverse Waves
The specific energy release, at a given location
in the channel due to chemical reactions behind
the shock front, may be computed from

Fig. 7. Time history of the local specific energy release (!i,j in Eq. [6]),
showing that the detonation propagation is extremely regular and produces
a repeating, cellular pattern.

Figure 4-4. Experimental detonation cell size with equivalence rati

air-steam mixtures at superatmospheric initial pressure