International Journal on Architectural Science, Volume 6, Number 2, p.

38-69, 2005

A BRIEF REVIEW ON COMBUSTION MODELING

Y. Gao
Department of Building Engineering, Harbin Engineering University, Harbin, Heilongjiang, China

W.K. Chow
Areas of Strength: Fire Safety Engineering, Research Centre for Fire Engineering
The Hong Kong Polytechnic University, Hong Kong, China

(Received 2 March 2005; Accepted 10 June 2005)

ABSTRACT

There is a strong demand in applying combustion modeling for building fires, burning materials and of course
for engines and furnaces. Most combustion flows, particularly those in fires, are very complicated to study.
Concept on applied physics and chemistry would be applied.

A review on combustion modeling will be presented in this paper. Effects of turbulence on flame propagation
are focused. Some fundamental aspects of combustion modeling for numerical modeling of premixed and
diffusion turbulent combustion are discussed. Eddy break-up model and its expansion, Eddy dissipation model,
simplified PDF model with different reaction rate and flame surface, and flamelet model are included.

1. LAMINAR AND TURBULENT 1.1 Spreading Rate of Laminar Flames

PREMIXED FLAMES
Combustion process of premixed gases depends on
the flow condition. The flow velocity of the
combustible premixed gases is not high for laminar
flames, and there are no fluctuations. The flame
surface appears smooth, with combustion rather
steady. The flame surface will supply heat and
activated radicals to the nearby thin layer of
combustible premixed gases which are not yet
burnt, through heat transfer and molecular diffusion.
The flame will then spread along the surface, called
laminar flames.
When the flow velocity of the combustible
premixed gases is relatively high or the flow area is
relatively large, a large quantity of large and small
eddies with random rotations and movement are
produced in the fluid flow. These eddies will
fluctuate back and forth, up and down through the
flow streamlines. The flame surface will be
folded and deformed to be thicker and shorter, kept
on rolling and making noises. Such flames are
called turbulent flames. In contrast to laminar
flames, the transport of heat and activated radicals
from the turbulent flame surface to the not yet
burnt premixed gases are governed by the eddy
movement of the fluid to excite and intensify,
which depends on the fluid flow. The spreading
rate of turbulent flames is much faster than that for
laminar combustion.
The spreading rate of laminar flames is a basic
characteristic parameter of the combustion process.
To effectively control the combustion in practical
processes, the mechanism of flame spreading and
the influences of various physical and chemical
factors on it should be clearly understood. That is
to understand the specific transfer process of
chemical reactions of combustion from one layer of
reacted premixed gases to another layer of freshly
premixed gases.
At present, there are two schools of thought on the
mechanism of flame spreading: thermal theory and
diffusion theory. For thermal theory, chemical
reactions in the flame are induced by the
introduction of heat which thermally activate the
molecules. The movement of the chemical
reaction zone (called the flame front) in space
depends on the heat transfer rate from the reaction
zone to the freshly premixed gases. This theory
does not deny that there are activated radicals and
diffusion in the flame, but it is generally believed
that the activated radicals in the combustion
process do not have a dominant effect on the
chemical reactions. On the contrary, the diffusion
theory assumes that chemical reactions in the flame
are mainly due to the diffusion of activated radicals
(such as H and OH) to the freshly premixed gases,
which enhances the chain reactions. Among these
two theories, the thermal theory more resembles
the practical situations. The thermal theory of
laminar flame spreading proposed by the Russian
scientist Zeldovich (1938) and his coworkers
Frank-Kamenetkii (1940), Semenov et al. (1951),

38
International Journal on Architectural Science

and based on the literature results of others as well, zone on the right side to the left side of the control
is considered the most widely accepted flame volume dv with Q x . Since there is air flow
spreading theory at present. Zeldovich’s theory of through the control volume, the heat enthalpy
flame propagation is described in the following. brought in is H x + dx . The changes in energy in
1.1.1 Zeldovich’s analysis of flame propagation the control volume depend on these three heat
flows.
Based on the analysis of the flame front structure,
the thermal theory of flame spreading was The heat flow introduced would increase the
proposed by Zeldovich and coworkers with six enthalpy of the gas in the control volume, i.e.
assumptions:
 ∂Q 
Qx + dx − Qx =  Qx + x dx  − Qx
1. Chemical reactions in the flame are the result  ∂x 
of thermal activation of molecules. The
∂Qx ∂  ∂T 
movement of the flame front in space depends = dx =  λ dydz   dx
on the heat transfer between the burning gases ∂x ∂x  ∂x 
and the freshly mixed gases. Although there ∂ T
2

will be some effects due to diffusion of = λ 2 dv

activated radicals, the effect is not significant
and can be neglected.
2. The combustion reactions studied are simple
reactions and not chain reactions. The
reactions have very high activation energies
and take place at high temperature close to the
combustion temperature.
3. The reactants and combustion products are
both ideal gases, their physical parameters
including heat transfer coefficient λ, heat
diffusion coefficient a, diffusion coefficient D
and caloric value are all constants in the
process, taken as the average value in the
temperature zone studied. The heat diffusion
coefficient is equal to the diffusion coefficient,
i.e. a = D, meaning that temperature field and
concentration field are similar.
4. The reactions are of equal pressure and
thermally insulated, i.e. pressure diffusion and
heat loss are not considered.
5. Air flow is one-dimensional thermally
insulated flow. The gas parameter is only a
one-dimensional function of space with
negligibly small variation of kinetic energy.
6. The flame front is a calm plane front.
Under the above assumptions, the equation for the
spreading rate of laminar flames can be derived
based on the energy equation of gases.
The heat transfer equations in the flame are derived
in the following. The energy equations for one-
dimensional steady flow with chemical reactions
are listed. Consider a small control volume in the
flame front, with volume dv of dxdydz. When
premixed combustible gases flow past the micro-
volume from left to right, its temperature T
increases gradually along the flow direction. Heat
Q x + dx is transferred from the high temperature
∂x
The enthalpy brought away by the gas would
reduce the enthalpy of gas in the control volume,
i.e.
∂H x ∂ ∂T
H x + dx − H x = dx = (uρC p Tdydz )dx = uρc p dv
∂x ∂x ∂x
The heat released per unit time in the control
volume from the chemical reaction with rate w
(mol/m3·s) and heat of reaction q (KJ/mol) would
increase the enthalpy of gas.
Qch = wqdxdydz = wqdv
For stable flame spreading, the enthalpy of gas in
the above control volume will change with time.
The sum of the increase in the above three values
of enthalpy should be zero, i.e.
∂ 2T ∂T
λ − u ρC p + wq = 0 (1-1)
∂x 2
∂x
This is the energy equation for one-dimensional
steady flows with chemical reactions. It gives the
distribution of gas temperature in the flame front
with x.
Equation (1-1) means that in the control volume,
the sum of the net heat gain from heat transfer and
the heat released from the chemical reaction is
equal to the energy flowing out from the gas flow.
The balance between energy flowing in and out is
the energy conservation within the control volume.
Continuity equations for one-dimensional constant
laminar flows with chemical reactions are:
ρu = ρ ∞ u ∞ = ρ 0 u 0 = m = const (1-2)

39
 International Journal on Architectural Science

Under certain boundary conditions of T ( x ) , the When T > Ti , the premixed gases have
concentration of the reactant is: already been ignited and entered the chemical
reaction zone. At this time, the heat flux out
When x = −∞ , T = T0 , C = C0 ; from the gases is larger than the heat flux in,
When x = +∞ , T = Tf , C = 0. i.e.

d 2T
The spreading rate of laminar flames S L can be λ <0
calculated from equations (1-1) and (1-2). dx 2
However, it is very difficult to obtain highly 2
accurate results. Different approximation When T = Ti , λ d T = 0 , the premixed
methods had been proposed. Among which, the dx 2
“zoning approximation method” proposed by gases have started to be ignited, the situation
Zeldovich et al. is comparatively simpler. Two of heat flux in has started to change to heat
zones are proposed in the laminar flame front, a flux out. Therefore, Ti can be defined as the
pre-heating zone and a chemical reaction zone. minimum ignition temperature. Ti is a
The influence of chemical reactions can be turning point on the curve T = f ( x ) .
neglected in the pre-heating zone. The first-order
derivative of temperature can be neglected in the Integrating equation (1-3) gives:
reaction zone. Based on the different
characteristics of these two zones, the value of
 dT  1 (1-4)
(dT dx) for each zone can be calculated by   = ρuc p (Ti − T0 )
 dx  ip λ
equations (1-1) and (1-2). The value of S L can
then be obtained.
(2) In the chemical reaction zone, since the
temperature is close to the burning gas
Zeldovich’s approximation method is described as
temperature T f , the temperature gradient
follows:
decreases rapidly to zero. Therefore, the
(1) In the pre-heating zone, since the temperature second term (first-order derivative of
is low, the rate of chemical reactions is very temperature) in equation (1-1) can be
slow and can be neglected. Equation (1-1) neglected to give:
can be written as:
d 2T
λ + qw = 0 (1-5)
d 2T dT dx 2
λ 2 − ρuc p =0 (1-3)
dx dx
The boundary conditions are:
The boundary conditions are:
When x = δ p , dT dT
T = Ti ， = ( )i ;
When x → −∞ , T = T0 , dT = 0 ; dx dx
dx When x =→ ∞ , dT
T ≈ Tf ， ≈0.
dx
When x = δ p , T = Ti , dT = ( dT ) i
dx dx Integrating equation (1-5) gives:

Where Ti is the ignition temperature of the  dT  2q T f

λ ∫Ti
  = wdT (1-6)
premixed gases in the pre-heating zone.
 dx ic
When T < Ti , the premixed gases are still at
In the stable process, at the interface of
the pre-heating condition, the increasing heat T = Ti , the heat flux entering from the
flux to the reaction zone is larger than the
ongoing heat flux from the premixed gases, reaction zone should be equal to the heat flux
i.e. transferred to the pre-heating zone, so

d 2T  dT   dT 
λ >0 λ  = λ 
dx 2  dx  ip  dx  ic

i.e.

40
International Journal on Architectural Science

1 2q Tf
∫ T0 wdT =  2λ w  2
Tf 1
ρ uc p (Ti − T0 ) = ∫ wdT (1-7) 2λ
λ λ Ti SL =  
C f0 c p ρ0 (T − T )2  C f0 c p ρ0 
f 0
From the above equation, (1-12)

2qλ T f wdT Tf
m = ρ u = ρ0 S L =
c 2p ∫ Ti (T − T )2 where w=
∫ T0
wdT
is the average reaction
f 0
(T f − T0 )
Here, ρu is the mass burning rate, and the rate.
flame spreading rate S L can be obtained
from the following equation: Since a0 = λ is the heat diffusion rate of
c p ρ0
m 2qλ wdT C f0
Tf the premixed gases, τ = is the average
SL =
ρ0
=
(C p ρ 0 ) 2 ∫ Ti
(Ti − T0 )
(1-8)
w
reaction time in the flame, then equation (1-
12) can be written as:
Ignition temperature Ti in equation (1-8) is an
unknown. At present, a suitable simple 1
method is not yet available for calculating the  2a  2
1

value of Ti. The following approximation is

SL =  0  ≈ ( a0 τ m ) 2 (1-13)
 τm 
commonly used.
Equation (1-13) shows that the spreading rate
Since the chemical reaction rate is very slow
of laminar flame is directly proportional to
in the low-temperature pre-heating zone,
Tf Tf the square root of the heat diffusion
∫ T0
wdT = 0 ; the integral equation ∫ Ti
wdT coefficient of the premixed gases, and
inversely proportional to the square root of
in equation (1-6) can be substituted by the
Ti
the average chemical reaction time. It can
integral equation
∫ T0
wdT , i.e. be seen that S L is a physical parameter
which depends only on the physical and
chemical nature of premixed gases. With
 dT  2q Tf
  =
 dx ic λ
∫ T0
wdT (1-9) known chemical reaction principles and other
physical parameters, equation (1-12) can be
used to estimate the spreading rate of laminar
In the high-temperature chemical reaction flame. The key is how to obtain the integral
zone, since Ti ≈ T f , ρ uc p (Ti − T0 ) can be of w(T ) .
substituted by ρ uc p (T f − T0 ) ,
This is a very crude model to solve for S L
 dT  1 by this approximation. Therefore,
  = ρ uc p (T f − T0 ) (1-10) modifications were proposed by some
 dx ip λ researchers later. It should be pointed out
that the significance of the theory of laminar
Equating (1-10) to (1-9), the following flame spreading is not on calculating the
expression for S L can be obtained, value of S L , but on revealing the effects of
major physical and chemical parameters of
Tf various combustible mixed gases on the
SL =
2qλ ∫ T0
wdT
(1-11) combustion process.
( c p ρ0 ) (T f − T0 )
2 2

1.1.2 Premixed turbulent flame propagation

Assuming that C f is the initial mole In practice, most of the combustible mixed gases
0

concentration of the premixed gases, are burnt under turbulent conditions. The fluid
flow is fluctuating with many rolling eddies. The
C f0 q = ρ 0C p (T f − T0 ) spreading rate of turbulent flames is much faster
than that of laminar flames. Turbulent flames
have different shapes. Combustible mixed gases
Therefore, equation (1-11) can be written as: in internal combustion engines also undergo

41

turbulent combustion. The average flame
spreading rate in the gas engines is 15 m/s to 30
m/s, despite the fact that the pressure and
temperature inside the gas tank are relatively high,
that will not be the spreading rate of laminar flames.
In other burning facilities, combustible mixed gases
flowing at high velocity or through large ducts with
a sudden increase in the flow area, or flowing past
fixed objects are all turbulent combustion. In all
kinds of fire environment, the flame is also a
typical turbulent combustion process.
The propagation of flame in laminar uniformly
mixed gases has been discussed above. In general,
laminar flame spreading is only found in mixed
gases of fuel and oxygen or air where the airflow
velocity is relatively small. In ordinary confined
circular pipes, with Reynolds number for the mixed
gases larger than 2300, the flow will change from
laminar to turbulent. The flame front surface will
become very complicated. Under such
circumstances, the mass burning rate will increase
significantly. This indicates that the spreading
rate of turbulent flames is much faster than that of
laminar flames.
The reason for the increase in the spreading rate of
turbulent flames and the patterns of increase are
preliminarily discussed in the following. It should
be pointed out that the spreading rate of turbulent
flames S T means the movement velocity of the
turbulent flame front on the hypothesized uniform
surface along the normal direction relative to the
freshly mixed gases. To understand the
combustion of turbulent mixed gases, the special
characteristics of turbulent flow should be
understood first.
Air flow in which gases (or eddies) are moving
irregularly is called turbulent flow. Turbulent
flow and laminar flow are different in which there
are irregular molecular movement and irregular
eddy movement in turbulent flow.
Experimental results indicated that the stronger the
turbulence, the faster the rate of flame spreading.
A typical method to describe turbulent flow is to
use the two characteristics of uniform eddies -
turbulence scale and turbulence intensity.
Turbulence scale l ' is defined as the movement
distance of an eddy before it “disappears”. It has
the same order of magnitude with the size of the
eddy itself. Therefore, the larger the turbulence
scale l ' , the larger the fluctuations of the air flow.
l ' can be understood as similar to the molecule
average free range, a parameter which describes the
thermal movement of molecules. Turbulence
intensity is described by the root mean square of
International Journal on Architectural Science
the average eddy pulsation velocity, i.e.
2
u ' = u i cm/s (1-14)
where u ' is the average eddy pulsation velocity.
In principle, the concept of turbulence intensity is
similar to the average velocity of molecular
diffusion. The faster the pulsation velocity, the
stronger the turbulence. According to the simple
theory of molecular motion, the equation for
diffusion coefficient is D = 1 v l . By analogy,
3
2
ε ≈ l ' u' ≈ l ' ui (1-15)
where ε is the turbulent diffusion coefficient.
Both turbulence scale and turbulence intensity can
be measured by experimental methods. These
two parameters represent the basic characteristics
of turbulent flow, which describe the fluctuation
intensity and affected area in turbulent gas
movement.
When the gas flow is in turbulent state, its transport
property is very strong. In other words, the heat
transfer coefficient λT , viscosity coefficient µT
and diffusion coefficient ε of turbulent flow are
much larger (a few hundred times) than the
transport coefficients in laminar flow. The
transport medium of physical quantities (heat, mass
and momentum) in turbulent flow is not through
single molecules, but eddies. The size of an eddy
is much larger than that of a molecule to transport
much larger amount of physical quantities.
Because of the increase in the transport ability of
turbulent flow, the spreading rate of turbulent
flames is much faster than that of laminar flames.
Air flow in a fire or in combustion chambers is
usually turbulent. For example, laminar duct flow
would become turbulent flow when Re > 2300; and
air flow around a cube would be changed into
turbulent flow when Re > 105. In the combustion
chambers of piston engines, air-jet engines and
rocket engines, mixed gases are all at turbulent
state. Therefore, it is very important to study
flame spreading for turbulent mixed gases.
The basic principle of flame spreading of uniform
turbulent flow is similar to that of laminar flow. It
is because flame spreading is the movement of the
chemical reaction zone due to heat and mass
exchange between the combustion products and
freshly mixed gases. However, the turbulent
properties of air flow have a great influence on the
combustion process. Experimental results
indicated that the flame spreading rate of turbulent
42
International Journal on Architectural Science
flow is much faster than that of laminar flow. It is
important to study the reason for the faster flame
spreading rate of turbulent flow and the
relationship between the different airflow
parameters. Besides, the flame front surface of
turbulent flow is always pulsating and folded.
Noise is generated during the combustion process.
Such phenomenon is absent in the laminar
combustion process.
1.1.3 Turbulent flame propagation
When combustible gas mixtures are at turbulent
state, a large quantity of eddy fluctuations are
produced inside the fluid. That leads to rapid
spreading and diffusion of the momentum and
energy of the fuel and oxygen, and increases the
flame spreading rate. Different turbulent states
have different turbulence intensity and turbulence
scale, and hence different effects on combustion.
The flame shapes and internal structures are also
different. Studies had been carried out by many
researchers in the past years. Several kinds of
models of turbulent flame structure were proposed
with two being most popular. The first group is
the flame surface model with foldings on the flame
surface. The second group is the control volume
model where turbulent combustion takes place in
the assigned control volumes.
a. Flame surface folding model
It was proposed by Damköhler and Schelkin
that turbulent flame is the result of foldings
occurred on the laminar flame surface
induced by turbulent flow. The basic
structure of turbulent flame surface is
suggested to be laminar. Because of
turbulent pulsations, the burning flame
surface is deformed, curved, folded, and
being torn into closed pieces of different
sizes. The flame surface is expanded to
give more combustible mixed gases burnt out
per unit time. Therefore, the flame
spreading rate of turbulent flow is much
faster than that of laminar flow. This kind
of flame surface folding model is widely
adopted since they are easy and convenient to
use.
Experiments on the burning flame of
premixed gases of propane-oxygen were
carried out by Damköhler with a gas burner.
The variations of flame spreading rate of
turbulent flow under different Reynolds
number were studied. It was found that: i)
when Re < 2300, the ratio of flame spreading
rate of turbulent flow to that of laminar flow
ST/SL = 1, i.e. in laminar state; ii) when 2300
≤ Re ≤ 6000, ST / S L ∝ Re ; iii) when
43
Re > 6000, ST / S L ∝ Re . The two latter
cases indicated that the flame spreading rate
of turbulent flow is faster than that of laminar
flow. With different turbulence intensity
and scale, the variation patterns of the
spreading rate of turbulent flame are different.
(1) Small-scale turbulent flame (2300 ≤ Re ≤
6000)
When the turbulence intensity is low, the
fluctuations and velocity pulsations are small.
The size of the fluctuating eddy inside the
fluid is smaller than the thickness of the
laminar flame combustion zone. Large
deformations of the flame surface would not
be induced, but only some corrugations.
Small-scale eddies would speed up the heat
transfer and mass diffusion rate inside the
combustion zone (molecular transport and
also eddy transport). The flame surface
would increase slightly, and the thickness of
the flame region would also increase.
(2) Large-scale weak turbulent flame
When the fluid fluctuations increase and give
rise to large-scale eddies, its turbulence scale
is larger than the thickness of the combustion
zone. Under turbulent pulsations, the flame
surface would become folded and deformed.
But the turbulent pulsation velocity is not
very large. The eddy movement velocity is
smaller than the flame surface normal
movement velocity. Therefore, the fluid
eddies cannot break through the flame
surface, and result in partial fluctuation and
deformation. On each of the micro-flame
surface, the flame is still propagating at the
spreading rate of laminar flame along the
normal direction. Due to the large size of
the eddies and irregular movement, the flame
surface changes continuously to become an
irregular curved surface with a lot of uneven
foldings. Obviously, if the flame surface
foldings are expanded, the flame surface area
F will increase greatly. If the flame is still
propagating at the spreading rate of laminar
flame SL, then the amount of combustible
mixed gases burnt out per unit time is:
m = ρFT S L (1-16)
If the surface area FL of the not yet folded
laminar flame is the mean position of the
flame surface, i.e. the basic surface, then the
increase in the spreading rate of turbulent
flame is only because of the folding of the
laminar flame surface. Therefore, the ratio
of the spreading rate of turbulent flame to
 International Journal on Architectural Science

that of laminar flow is the ratio of variations ( h / r ) 2 ∝ ( u ' l '/ S L ) / l ' ∝ ( u '/ S L ) (1-26)
2

in the flame surface area,

ST / S L = FT / FL (1-17) Substituting equation (1-22) gives:

ST = (FT / FL )S L (1-18) ST = S L 1 + k (u ' / S L )

2
(1-27)

In order to determine the turbulent flame Usually, k is taken as 1.

surface area FT, some simplifications are
needed. According to Schelkin, the
turbulent flame folded surface could be
assumed to be made up of continuous
identical cone surfaces. The surface area of
each cone is:
Fc = πr r 2 + h 2 (1-19)
The bottom surface area of each cone is:
Fb = πr 2 (1-20)
In equation (1-19), h is the average height of
the cones, and r is the average radius of the
bottom surface of the cone. Thus,
FT / FL = Fc / Fb = πr r 2 + h 2 / πr 2 = 1 + ( h / r ) 2
(1-21)
(3) Large-scale strong turbulent flame (Re >
6000)
When the turbulence intensity is sufficiently
large, the turbulent pulsation velocity
exceeds the spreading rate of laminar flame.
The fluid eddies would break through the
flame surface and tear it into dispersed small
pieces. The surface of each piece has a thin
layer of closed laminar combustion zone.
The burning of those small pieces could be in
the unburnt mixed gas zone, and also in the
burning combustion products zone. The
spreading rate of turbulent flame of this kind
of burning mainly depends on the ratio of
pulsation velocity to the spreading rate of
laminar flame. The following equation was
given by Tanford after modification,
ST / S L = 1 + A(u ' / S L ) (1-28)

Substituting (1-18) gives: where A is taken from 1 to 3.5.

ST = S L 1 + h ( r)
2
(1-22) b. Control-volume model

Under certain situations with high turbulence

The size of the foldings on the flame surface intensity, the combustion reactions are not
depends on the turbulent condition. The concentrated in the thin combustion zone, but
size of the folded flame cone and the size of penetrated into the deeper zone. The
the turbulent eddies are both directly thickness of the flame zone is about several
proportional to the turbulence scale l ' , i.e. ten times of the laminar flame surface, the
r ∝l'. The folded flame cone height is concentration and temperature distribution in
directly related to the impingement on the the flame are very different from laminar
flame surface by the turbulent pulsation flow. Because of this, a micro-volume
velocity u ' , combustion model was proposed by
Summerfield et al. When the turbulence
h ∝ u 't (1-23) intensity is very high, the fluid would be
fluctuated by eddies and divided into control
The effect time t is related to the eddy size volumes. Among the control volumes of
and the flame spreading rate, different sizes, the part of turbulent flame
penetrating into the unburnt mixed gases is
not formed by simple laminar flame surfaces,
t ∝ l '/ S L (1-24)
but a series of mixed gas “islands” of
different degrees of reaction penetrated into a
Substituting the above equation gives: large reaction zone in the combustible mixed
gases. Therefore, combustion takes place
h ∝ u ' l '/ S L (1-25) inside the volume. Within the existing time
of each “island”, the internal temperature and
i.e. concentration are partially balanced; and each
“island” is different from one another. This
combustion model had been used by

44
International Journal on Architectural Science
Shelinkow to estimate the spreading rate of
turbulent flame. Results were also compared
with the experiments. The results showed
that micro-volume burning plays an
important role in the spreading of turbulent
flame.
The structure of turbulent flame is very
complicated. The above flame structure
models are helpful in understanding the
mechanism of turbulent flame spreading, but
further verifications, research and
development are still needed.
Experiments were conducted by Williams
and Bollinger on turbulent flame produced by
propane-air mixture, ethane-air mixture and
ethyne-air mixture with a Bunsen burner.
The results were compiled into the following
empirical formula:
ST = 0.18S L d 0.26 Re 0.24 cm/s (1-29)
1.1.4 The concept of self-turbulent flame
It has been found that the spreading rate of
turbulent flame ST determined by experiments is
much larger than that calculated by using the
turbulence intensity ( u ') in approach air flow.
In order to explain the difference between the
experimental value and the calculated value, the
theory of self-turbulent flame is one of those
commonly used. That theory states that the
reason for the difference between the two values is
that the flame itself has fluctuations, giving
turbulent flow that affects the combustion process
and increases the value of ST .
The theory of self-turbulent flame was firstly
proposed by Landau, explaining turbulent flame is
due to instability of the plane laminar flame front.
In studying the effect of small fluctuations on a
plane flame front, it was found that if the small
fluctuations caused the flame front to curve (i.e.
deviated from the balanced plane position), this
kind of curving would continue to develop with
time, and finally leading to the breaking of the
front and making the air flow turbulent.
When air flows through the undisturbed plane
flame front, since there is no variation in the
tangential velocity (zero) but only variation in the
normal velocity, the streamlines would not become
curved.
If there are occasional fluctuations (in fact often
happens) which make the flame front surface
become curved into “wave form”, the streamlines
passing through the front surface would be
45
deflected due to the refraction of streamlines.
When the streamlines pass through the protruding
zone, the streamlines would disperse. The airflow
velocity would decrease and pressure would
increase. When passing through the sunken zone,
the streamlines would gather together and
accelerate the air flow. At the same time, the
pressure would decrease. This kind of pressure
field at the flame front surface would make the
protruding part of the front surface expand and the
sunken part contract continuously. Finally, the
front surface would break and the flow would
become turbulent. In this kind of turbulent flow,
the pre-heating of freshly mixed gases would not
be simply by molecular heat transfer, but through
strong turbulent mixing. Since the front surface
has been broken through, its width would increase
significantly.
Therefore, the nature of self-turbulent plane
laminar flame front is that: the ever-increasing
small fluctuations of flame and tangential part
would induce the breaking of the flame front itself.
However, this kind of laminar flame is only
unstable in large space; whereas in finite small
space, it is stable. It is because the volume and
duct wall have confined the curving of the large
wavelength, the flame has a tendency to maintain
its plane. At the sunken part, freshly mixed gases
are heated more vigorously, and so the spreading
rate of flame is faster to keep the plane front.
This phenomenon is more obvious when the curved
radius is relatively small.
Although the theory of self-turbulent flame has not
yet been investigated thoroughly, it has important
significance. With this theory, many problems
regarding turbulent combustion have been cleared
up. To verify this theory, experiments have to be
carried out to directly obtain the turbulence
intensity before and during combustion.
Nevertheless, there are difficulties in conducting
such experiments.
2. DIFFUSION COMBUSTION
In many of the combustion facilities, premixed
gases cannot be formed easily due to the nature of
the fuel. Fuel and oxygen (or air) are usually
supplied into the combustion chamber separately.
The mixing of fuel with oxygen and chemical
reactions happen at the same time. Under the
high-temperature environment inside the
combustion chamber, chemical reactions take place
rapidly, but the mixing of fuel and oxygen is much
slower. Therefore, it is the rate of mixing that
controls the combustion rate. This is the basic
characteristic of diffusion combustion.
Depending on the state of the fuel, there are

gaseous diffusion combustion and liquid spray
combustion. Gaseous diffusion combustion can
be further divided into laminar diffusion
combustion and turbulent diffusion combustion,
depending upon the flow condition of the fuel gas
discharged into the combustion chamber. In most
cases of fire incidents, there is a certain degree of
pre-mixing before the fire actually starts. The
fires then tend to undergo diffusion turbulent
combustion.
In general, combustions where the fuel and
oxidizer are not premixed are called diffusion
combustion or diffusion flames. In this kind of
flames, the chemical reaction rate is much faster
than the mass transfer rate induced by diffusion and
the energy transfer rate due to heat transfer. Its
obvious characteristics are that the chemical
reaction rate is very fast on the flame surface.
The combustion zone is a very thin surface and can
be regarded as a mathematical surface. On one
side of the combustion surface is the combustion
gas, the other side is the oxidizer gas.
Based on the nature of the mixed gas flow,
diffusion flames can be divided into laminar
diffusion flames and turbulent diffusion flames.
Candles and matches burning in the air, and the
burning of a single fuel liquid drop in an oxidized
medium belong to laminar diffusion flames.
Combustions in industrial furnaces (for heating up
combustion gases or liquid fuel, e.g. furnaces in
steel plants), turbo-machinery, some liquid-fuel
rocket engines and internal combustion engines got
turbulent diffusion flames.
A classical example of laminar diffusion flames is
the diffusion flames in coaxial circular ducts.
When gaseous fuel and air are flowing separating
in circular ducts of diameter d and d '
respectively, the velocities of the flows are equal.
The flame shapes of this kind of burning can be
divided into two types: if the amount of oxygen
supplied exceeds the amount for complete
combustion of the fuel, it will give rise to oxygen-
rich diffusion flames. The flame surface will
gradually contract to the axis of the circular duct
and become a conical flame. On the contrary, if
oxygen in the air is not sufficient, the flame will
develop to the wall of the external duct and become
a bell-shaped oxygen-deficient diffusion flame.
The eddies inside the air flow make the flame
shape more complicated. When the velocity of
discharging fuel into the air is sufficiently high,
laminar diffusion flames would become turbulent
diffusion flames. In the laminar flame zone, the
flame height would increase with the increase in
airflow velocity, and reach a maximum value.
For further increase in the jet velocity of the fuel,
unstable turbulent flame would start to appear at
International Journal on Architectural Science
the flame top which would further increase the
airflow velocity. The position where laminar
flame is changing into turbulent flame (break-up
point) would descend rapidly, and the whole flame
height would also decrease. When the airflow
velocity further increases, and the height of the
break-up point reaches a certain value, the whole
flame height would remain almost unchanged.
The turbulent flame height (the flame should be
quiescent relative to the environment) in air had
been determined by Hawthorne et al. The
observed flame height agreed well with the mixing
length calculated by using the jet-flow mixing
theory. This also proved that in turbulent
diffusion flames, the chemical reaction rates are
also similar to those in laminar diffusion flames,
which have no control effect on the combustion
process.
2.1 Laminar Diffusion Flames
The first successful analysis of laminar diffusion
flames was done by Back and Schumann. A
numerical equation which can accurately calculate
the flame shape and height was derived. The
calculated flame shape and height agreed with the
experiments.
2.1.1 Differential equations of diffusion flames
Since the processes taken place inside the flame are
very complicated, the following simplification
assumptions are made:
z On the flame surface, fuel and oxygen are
mixed in proper ratio. Chemical reactions
take place only on the flame surface and they
are instantaneous.
z The flows of fuel and oxygen are one-
dimensional flows with uniform and same
velocity. Diffusion of the components only
takes place along the radial directions.
z The mole number is not changed in the
combustion reactions, i.e. the pressure is the
same throughout the whole process.
z The diffusion of fuel and oxygen in inert
gases is regarded as the diffusion of two
components, their diffusion coefficients are
equal.
z The product of density ρ and diffusion
coefficient D of mixed gases is not related to
temperature, it is constant in radial direction,
i.e.
ρD = constant (2-1)
At constant pressure, ρ ∝ 1 , the diffusion
T
46
International Journal on Architectural Science

coefficient of two components is: r

Then the diffusion velocity vDK can be calculated:

D ∝ T 1.75 r
v D ,k = − D∇ ln YK
Therefore, the effect of temperature on the product
ρD is relatively small. Thus, ρD can be From this equation and assumption (e), the second
approximated as a constant in radial direction. term on the right side of equation (2-2) can be
simplified,
According to the above simplification assumptions,
differential equations for diffusion flames can be 1 ∂ (ρYK vDK ,y ) 1
∇(ρYK vD ,k )
r
set up by applying the mass conservation equation. − =−
ρYK ∂x j ρYK
The mass equation for component K with
1
chemical reaction is: =− ∇  ρY ( − D∇ ln YK ) 
ρYK  K
r
D ln Yk
=
wK
−
(
1 ∂ ρYK u DK , j ) (2-2) =
D 
∇ YK
1  D 2
∇YK  = ∇ YK
Dt ρYK ρYK ∂x j YK  YK  YK

where As the diffusion flames under discussion are

axisymmetric, it is more convenient to use
∂ (ρYK u DK , j ) ∂ (ρYK u DK ,x ) ∂ (ρYK vDK , y ) ∂ (ρYK wDK ,z )
r cylindrical coordinate system. Vector analysis
= + + gives:
∂x j ∂x ∂y ∂z
(2-3) 1 ∂  ∂YK  1 ∂ YK ∂ YK
2 2
∇ 2YK = r +
 2 + (2-9)
r ∂r  ∂r  r ∂ϕ ∂z 2
2
and

D In YK 1 DYK 1  ∂YK ∂Y ∂Y  Since the distribution of YK is axisymmetric, YK

= = u +v K +w K  is not related to ϕ . According to assumption (b)
Dt YK Dt YK  ∂x ∂y ∂z 
(2-4) and neglecting the diffusion along the z direction,

According to assumption (b), ∂YK ∂ 2YK

=0 =0
∂ϕ ∂ϕ 2
u x = v = 0 , w = constant (2-5)
∂YK
≈0 ∂ 2YK
≈0
∂z ∂z 2
Since only steady-state diffusion combustion
process is considered,
Therefore,
∂YK (2-6)
=0 1 ∂  ∂YK  ∂ YK 1 ∂YK
2
∂t ∇ 2YK = r = +
r ∂r  ∂r  ∂r
2
r ∂r
Then,
That gives:
D In YK 1  ∂Y  (2-7)
= w K 
Dt YK  ∂z  1 ∂ ( ρYK vDK , j ) D  ∂ 2YK 1 ∂YK  (2-10)
− =  2 + 
ρYK ∂x j YK  ∂r r ∂r 
According to assumption (a), chemical reactions
only take place on the flame surface. If the Substituting equations (2-7) and (2-10) into
process taken place on the flame surface is not equation (2-27), with wK ≡ 0 , the basic
considered, then
differential equation for diffusion flames is:
wK = 0
∂YK D  ∂ 2 YK 1 ∂YK  (2-11)
=  + 

According to assumption (d), ∂z w  ∂r 2 r ∂r 

DI , F = DI ,O = D = constant (2-8) where YK is the mass fraction of component K ,

D is the diffusion coefficient of two components,
w is the flow rate of gaseous fuel (or oxidizer),

47
 International Journal on Architectural Science

z is the distance of a certain plane of the flame ∂Y D  ∂ 2Y 1 ∂Y  d'

from the coordinate of the discharge opening; and =  +  0≤r ≤ (2-14)
∂z w  ∂r 2 r ∂r  2
the subscript “ F ” represents fuel, “ O ” represents
oxidizer.
The boundary condition for equation (2-14) is:
In deriving equation (2-10), ∂YK is neglected. ∂Y ∂Y
∂z (i) = 0, =0 0≤ z≤ L (2-15)
∂ Y ∂r r =0 ∂r r=
d'
But in equation (2-7), K is taken into account. 2
∂z
This is because 1) based on assumption (b), only d
radial diffusion is considered and axial diffusion is YF ,0 0≤r <
(ii) Y = 2 (2-16)
neglected, i.e. ∂YK << ∂YK ; however in equation z =0
− s Y
 F O ,0 d d'
∂z ∂r <r≤
2 2
∂YK
(2-7), the value of w is still quite large (as
∂z where
the airflow velocity w is very large, up to 3300
cm/s). 2) as stated in assumption (b) that axial YF 1
sF = = (2-17)
diffusion can be neglected, but
D ln YK YO s0
Dt
represents the variation of the mass fraction of 2.1.2 Solving the differential equations for
component K induced by the air flow in the flow diffusion flames
process which is not at all related to diffusion;
therefore at steady-state, Equation (2-14) can be solved by using separation
of variables and Bessell function.
D ln YK w ∂YK (2-12)
=
Dt YK ∂z d 
2
4d +∞
1
Y ( z , r ) = YP ,0   − sF YO ,0 + 2 YP ,0 ∑
 d ' d' m =1 ϕ m
The concentration fields of fuel YF and oxygen
YO can be determined by the partial differential  d
equation (2-11), only that the boundary conditions
J1  ϕ m  J 0 (ϕ m r )
 2 (2-18)
are different (not including the point on the flame × 2
surface, because at point wK ≠ 0 ). Thus, two   d '   2D 
 0  m 2   exp  ϕ m u z 
J ϕ
differential equations have to be solved for the     
distribution of YF and YO . Adopting the
where YP ,0 = YF ,0 + ν F YO ,0 ; ϕ m is all the positive
mathematical method by Back and Schumann, a
new variable is defined.  d '
root values of the equation J1  ϕ  = 0
 2
YF 0 ≤ r < rf
 (rejecting the zero root ϕ0 = 0 ); J1 , J 0 are
Y = 0 r = rf (2-13)
Bessell functions.
− s Y
 F O rf < r ≤ d ′ 2
a. Flame concentration field
where rf is the radius of the flame surface, and The concentration distribution function of the
sF is the ratio of fuel and oxidizer. fuel inside the flame and oxidizer outside the
flame (on each plane of the flame) can be
calculated by equation (2-18).
According to assumption (a), wK = ∞ on the
flame surface, so the instantaneous reaction has
finished when the fuel and oxygen have diffused to YF ( z , r ) 0 ≤ r < rf 0≤ z≤L
r = rf . Therefore, it is defined that Y = 0 (at d′
YO ( z , r ) rf < r < 0≤ z≤L
r = rf ). In this way, the diffusion problem 2
becomes the diffusion of a single gas (fuel). The YF = YO = 0 r = rf 0≤ z≤L
function Y = Y ( r , z ) is the solution of the
following partial differential equation. where L is the flame height.

48
International Journal on Architectural Science

For example, given z1 = 10 mm and a series 2.2 Fundamental Aspects of Laminar

of r1 , r2 , r3 , … rn , since some of the Diffusion Flames with Fast Chemistry
parameters in equation (2-18) are already (One-Step Reaction)
known such as d , d ', YF ,0 , YO ,0 , sF , etc., and
Non-premixed diffusion flames are observed in
some can be checked in the mathematics most of the fire accidents and in many industrial
handbook such as J 0 , J1 , ϕ m , etc., based on applications such as spray burning and other
equation (2-18), the value of Y1 ( z , r ) on a combustion engines. Thermal decomposition and
phase change of combustible solid materials,
plane of the flame can be calculated. combustion in surrounding air are also non-
premixed combustion.
Given a series of Z 2 , Z 3 , …, Z n values, the
concentration distribution function The simplest combustion reaction of carbon-
Y2 , Y3 , … Yn on different planes of the flame hydrogen fuel is a one-step reaction:
can be calculated by using a similar method.
F + sO → ( s + 1) P (2-22)
b. Flame shape
Fuel (F) and oxygen (O) react to give combustion
According to assumption (a), the chemical product (P) under stoichiometric number s. The
reactions on the flame surface are mixture fraction f is defined as:
instantaneous. There would not be any fuel
and oxidizer on the flame interface. When φ − φ2
f =
the two of them have diffused to the flame φ1 − φ2
interface, they would react immediately to
give combustion products. The experiment where
by Hottel and Hawthorne had proved this
assumption. Thus, the mass fraction of Y0
these two components on the flame interface φ = YF −
s
are both zero. Therefore, using Y = 0 in
equation (2-18), the corresponding r = rf , The subscripts 1 and 2 refer to fuel and oxygen
and that gives the flame boundary equation: respectively. The reaction between fuel and
oxygen is described by fast reacting chemistry.
2 Under practical situations, various fuel and oxygen
d  4d (2-19) will undergo chemical reactions immediately after
YP ,0   − sF YO ,0 + 2 YP ,0 S = 0
 d ' d' mixing. This assumption implies that the reaction
time is much shorter than the mixing time.
where
The simplest fast reaction is a one-step irreversible
reaction. The instantaneous fuel, oxidizer and
J1  ϕ m  J 0 (ϕ m rf )
 d
+∞ +∞ combustion product are related as:
1  2
S = ∑ S m =∑
m =1 ϕ m 
2
m =1  d ′   2D  φ ≤ 0, f ≤ f S ;YF = 0; Y0 = sYB ( f S − f ); Ypr = ( s + 1)YB f (1 − f S )
 0 m 2  exp  ϕ m w z 
J  ϕ 
      φ ≥ 0, f ≥ f S ;YF = YB ( f − f S ); Y0 = 0; Ypr = ( s + 1)YB f S (1 − f )
(2-20) (2-23)
That gives: where

d '2 sF YO ,0 d YB = YF (1 − f S )
S= − = C f = constant (2-21)
4d YP ,0 4
Corresponding to the situation of φ = 0, the
Equation (2-21) is the boundary equation for stoichiometric number of the mixture fraction f s
diffusion flames. In the equation, only z is given as:
and rf are variables, the others are
constants. According to equation (2-21), Y0 (2-24)
fS =
the calculated z = f rf ( )
is an implicit sYF + Y0
function and cannot be transformed into an
explicit function, which can only be solved It implies that there is no oxidizer on the fuel side,
by graphical method. and there is no fuel on the side with oxidizer. The

49
 International Journal on Architectural Science

mean Favre-averaged concentrations
expressed as:
~ r ~ r
Yi (xi ) = ∫ Yi ( f ) P ( f , x )df
1
0 2.3 Simple Chemical Reacting
Favre Probability Density Function (PDF) is often
used to integrate the spatial distribution of mixture
fraction f. This spatial distribution also includes
the effect of turbulent fluctuations.
If the reaction is reversible, there will be both fuel
and oxidizer at stoichiometric numbers close to the
mixture fraction. Under the assumption of fast
reaction, both the forward and backward reactions
are faster than the mixing process, so that the
mixed chemical components can attain dynamic
equilibrium. To close the set of equations, the
equation constant can be used.
In solving the PDF transfer equation, the
dependence on the flame position, turbulent
conditions and other parameters can be considered.
For the more general form of PDF commonly used,
there is a simpler variable relationship. Therefore,
the following variable of mixture fraction is usually
can be where δ and H are deltahe and Heaviside function
respectively. Distribution parameters µ and σ can
be checked from the chart.
(2-25)
System
(SCRS) and Mixture Fraction
Fuel and oxidizer will undergo a series of reactions
to give combustion products. For example, the
combustion of the simplest hydrocarbon methane
CH4 involves more than 40 basic dynamic
reactions. The component equation of the mass
fraction for a particular component Y j can be
written as:
∂ r
(ρ Y j ) + div(ρ Y j u ) = div(Γ j gradY j ) + S j (2-28)
∂t
S j is the source term of the chemical reaction in
the component transport equation, the production
and dissipation rate of the component. The sum
of the mass fraction of fuel, oxidizer and other
components should be equal to 1, i.e.
N

added. ∑Y
j =1
j =1

where N is the total number of components.

The most commonly used PDF functions are Beta The heat energy released from combustion can be
function and Clipped-Gaussian distribution. represented by the following transport equation:

Beta function is: ∂ r

(ρ h) + div(ρ hu ) = div(Γ h gradh) + S h (2-29)
∂t
f α −1 (1 − f )
β −1
~
P( f ) = (2-26)
f α −1 (1 − f )
1
The source term of the above transport equation of
∫
β −1
df
0 enthalpy includes radiation loss and increase,
pressure work and chemical energy. Energy
where the parameters α and β are determined by consumption due to viscosity under low
the following equations: consumption number can be neglected. The
corresponding temperature can be calculated from
[(
~ ~
α = f f 1− f )
~ ~2 ~
] ~
f −1 , β = 1− f α f ( ) the calorific value,

Clipped-Gaussian distribution is: h − Yf H f

T=
cp
~
f (f )
1  1 f − µ 2 where H f is the calorific value of the fuel.
= exp  − ( )  [ H ( f ) − H ( f − 1) ]
σ (2π ) 12
 2 σ 
 1 T
1  1 f − µ 2  cp = ∫
+ δ ( f ) ∫ c p dT
0
exp− ( )  df  (T − Tref ) Tref
− ∞ σ (2π )1 2
  2 σ  
 ∞ 1  1 f − µ 2 
+ δ ( f − 1)  ∫ exp− ( )  df  N
1 σ (2π )1 2
 2 σ   cp = ∑ mjc j
 j =1
(2-27)
where c j is the specific heat of species j.

50
International Journal on Architectural Science

The local density of the mixture depends on the Defining the following variable,
concentrations of the combustion reactants and
products and the mixing temperature, which can be φ = sY f − Yo
calculated by:
Usually, it is assumed that the mass exchange
P (2-30) coefficients Γ j in each component transport
ρ= N
Yj
RT ∑ equation are equal constants, Γ f = Γ o = Γφ .
j =1
Mj
Equations (2-31) and (2-32) can be written as the
transport equation of φ :
where M j is the molecular weight of species j.

∂
( ρφ ) + div ( ρφ u ) = div ( Γφ gradφ ) + ( s ⋅ S f − So )
r
The variations of temperature and density would
influence the flow field. By solving the above ∂x
component equation (2-28) and enthalpy equation
(2-29) by coupling with the laminar flow and
turbulent flow basic equation set, the combustion For the assumption of one-step reaction,
flow field can be solved numerically. The ( s ⋅ S f − So ) = 0 , the equation is simplified as:
simplest combustion process given by Spalding et
al. is the simple chemical reacting system (SCRS). ∂
( ρφ ) + div ( ρφ u ) = div ( Γφ gradφ )
r (2-33)
The reaction between the fuel and a certain ∂t
proportion of oxygen to give combustion products
is believed to be a one-step infinitely fast chemical Defining the non-dimensional variable f as the
reaction. mixture fraction:

1 kg of fuel＋s kg of oxidant ＝(1＋s) kg of φ − φ0 (2-34)

f =
products φ1 − φ0

The combustion of CH4 can be written as:
CH4 ＋ 2O2 → CO2 ＋ 2H2O
That means 1 mole of CH4 reacts with 2 moles of
O2 would give 1 mole of CO2 and 2 moles of H2O.
This can be written as a reaction equation:
1 kg of CH4 ＋ 64 kg of O2 →  1 + 64  kg
16  16 
of products
The subscript O represents the side with oxygen,
and the subscript 1 represents the side with fuel.
f = 0 means the value of the mixing point φ
when there is only oxygen, f = 1 means the value
of φ when there is only fuel. The above
equation can be expanded as:
 sY f − Yo  −  sY f − Yo 
f = 0 (2-35)
 sY f − Yo  −  sY f − Yo 
1 0

The stoichiometric number is:

On the fuel side,  m f  = 1 ,
 1 [ mo ]1 = 0

s = oxygen = 64 =4 On the oxygen side,  m f  = 0 ,

 0 [ mo ]0 = 1
fuel 16
Equation (2-35) can be simplified as:
In SCRS, infinitely fast chemical reaction implies
that all intermediate products are neglected. The
transport equations for the mass fraction of fuel  sY f − Yo  − [ −Yo ]0 sY f − Yo + Yo ,0
f = = (2-36)
and oxygen are:  sY f  − [ −Yo ]0 sY f ,1 + Yo ,0
1

∂
∂t
( ρY f ) + div ( ρY f u ) = div ( Γ f gradY f ) + S f
r
In the stoichiometric mixing ratio, the
stoichiometric mixture fraction f st when fuel and
(2-31)
oxygen cannot exist together in the combustion
∂ r products is defined as:
( ρYo ) + div ( ρYou ) = div ( Γ o gradYo ) + So
∂t
(2-32)

51
 International Journal on Architectural Science

Yo ,0 Here, ϕ is a certain variable of function f, and

f st =
sY f ,1 + Yo ,0
Fast chemical reactions imply that no excessive
oxygen and fuel would coexist in the combustion
products.
If Yo > 0 , then Y f = 0 , and if f < f st ,
−Yo + Yo ,0
f =
sY f ,1 + Yo ,0
If m f > 0 , then Yo = 0 , and if f > f st ,
sY f + Yo ,0
f =
sY f ,1 + Yo ,0
These two equations indicated that the linearity of
Y f and Yo depends on the mixture fraction f.
The mixture fraction f is related to φ linearly and
described by the transport equation.
∂ combustion process also includes heat transfer,
( ρ f ) + div ( ρ f u ) = div ( Γ f gradf )
r (2-40)
∂t
In solving the above equation under suitable
boundary conditions, the mixture fractions f of
oxygen and fuel at the solid wall are both 0. By
using equations (2-38) and (2-39), the mass
fractions of oxygen and fuel on the burning surface
are:
f − f st
Yo = 0 ; Y f = Y f ,1 for f st ≤ f < 1 (2-41)
1 − f st
f −f
m f = 0 ; Yo = st Yo ,0 for 0 < f < f st (2-42)
f st
Through Favre averaging, the above transport
equation in turbulent combustion can also be
solved to describe the density variations in the
combustion flow. In using the PDF method in
turbulent models, the variables Y f , Yo , etc. can be
obtained by weighing the instantaneous values of
PDF of the mixture fraction. The mean average
value ϕ of the property parameter ϕ can be
given as:
1
ϕ = ∫ ϕ ( f ) p ( f ) df
0
(2-37)
p ( f ) is the probability density function.
Different probability distribution functions can be
used. Better results can be obtained by using
clipped Gaussian and beta function.
2.4 An Example of Numerical Modeling of
Laminar Diffusion Flames
Calculations on combustion are very important for
increasing the efficiency of engines and reducing
the production of pollutants. However, numerical
(2-38)
modeling of combustion is difficult to carry out.
First of all, the control equations are very
complicated. There is not only a set of fluid
dynamics equations, but also a set of chemical
reaction equations, so that the set of control
equations is very large. Also, a lot of components
are involved in the chemical reactions which
(2-39) undergo several basic reactions. Generally, finite
rate chemical reaction model involves tens of
components which undergo several hundreds of
intermediate basic reactions. Since the chemical
reaction rate is very fast, the time-scale is much
smaller than that of the fluid transport. As each
basic reaction has its own time-scale, there will be
serious time-scale problems; or called the rigidity
problems of the system. In addition, the
radiation, convection and diffusion of the chemical
components, and also anisotropy due to buoyancy.
Two-phase turbulent combustion makes the
problem even more complicated. Since the
physical gradient at the flame edge is very large,
finer grids are required at the flame edge in order to
obtain more accurate numerical solution.
Numerical modeling of combustion, though
difficult as listed in above, is more attainable with
the rapid development of computer technology.
Here, a simplified two-dimensional laminar
diffusion flame is considered. A one-step
irreversible infinitely fast reaction of five species is
considered:
C3H8 + 5O2 + 18.8N2 → 3CO2 + 4H2O + 18.8N2
Here, propane is the fuel, air is the oxidizer
(nitrogen acts only as a diluent without involving in
the reaction), carbon dioxide and water are the
products.
The first example focused on a chemical reaction
model and its simplified version. Here, only the
basic equations and boundary conditions in the
numerical process are listed, but not the calculated
(2-43) results and the finite difference method used.

52
International Journal on Architectural Science

2.4.1 Numerical modeling of laminar diffusion (d) Energy equation

flame with infinitely fast reaction rate
∂ρ h ∂ρ uh ∂ρ vh ∂P ∂  µ ∂h  ∂  µ ∂h 
+ + − − −
∂t ∂x  Pr ∂x  ∂y  Pr ∂y 
1. Control equations
∂t ∂x ∂y
For a two-dimensional laminar diffusion
flame, neglecting radiation and adopting a ∂  µ  Pr  N ∂Y j  ∂  µ  Pr  N ∂Y j 
one-step irreversible infinitely fast chemical
−   − 1 ∑ j
h  −   − 1 ∑ h j =0
∂x  Pr  Sc  j =1 ∂x  ∂y  Pr  Sc  j =1 ∂y 
reaction model, its control equations are:
(2-52)
(a) Continuous equation
(e) State equation
∂ρ ∂ρ u ∂ρ v (2-44)
+ + =0 PM
∂t ∂x ∂y ρ= (2-53)
RT
(b) Momentum equation
(f) Enthalpy equation
∂ρ u ∂ρ uu ∂ρ uv ∂P ∂  2  ∂u ∂v   h = h(Y j , T ) (2-54)
+ + + −  µ  2 − 
∂t ∂x ∂y ∂x ∂x  3  ∂x ∂y  
∂   ∂u ∂v   (2-45)
Here, u and v are velocity components, P is
− µ  +  = 0 pressure, ρ is density, T is temperature, Y j
∂y   ∂y ∂x  
is the mass component of the j species (here,
∂ρ v ∂ρ uv ∂ρ vv ∂P j can be C3H8, O2, CO2 or H2O), h is enthalpy,
+ + + + ρg µ is viscosity coefficient, Pr is Prandtl
∂t ∂x ∂y ∂y
number, Sc is Schmidt number (Prandtl
∂   ∂v ∂u   ∂  2  ∂v ∂u   number and Schmidt number are taken as 0.7
−  µ  +  −  µ  2 −  = 0
∂x   ∂x ∂y   ∂y  3  ∂y ∂x   in this paper), w j is the production rate of
(2-46) the j species, β1 is the ratio of the products
CO2 and H2O, and M is the average
(c) Components equation
molecular mass.

∂ρYF ∂ρ uYF ∂ρ vYF ∂  µ ∂YF  N Yj

+ + − 
∂t ∂x ∂y

∂x  ScF ∂x  M =1 ∑M
j =1
∂  µ ∂YF  (2-47)
−   + wF = 0
∂y  ScF ∂y  There are altogether 11 equations in the
above, giving a set of differential equations
for solving 11 unknowns: u, v, P, ρ, T, h,
∂ρYO ∂ρ uYO ∂ρ vYO ∂  µ ∂YO 
+ + −   YF , YO , YCO2 , YH 2O and YN 2 .
∂t ∂x ∂y ∂x  ScO ∂x 
∂  µ ∂YO  (2-48) 2. Simplified mathematical model
−   + wO = 0
∂y  ScO ∂y 
In the above control equations, those
chemical reaction production rates are more
∂ρYN 2 ∂ρ uYN2 ∂ρ vYN2 ∂  µ ∂YN2  difficult to handle. The equation can be
+ + −  
∂t ∂x ∂y ∂x  ScN2 ∂x  simplified by using the assumption of
infinitely fast reaction. Assume wF is
∂  µ ∂YN2  (2-49)
−  =0 proportional to wO ,
∂y  ScN 2 ∂y 
wO
wF = (2-55)
(
YCO2 = 1 − YF − YO − YN 2 β1 ) (2-50) s

( )
YH 2O = 1 − YF − YO − YN 2 (1 − β1 ) (2-51) and

ScF = ScO = ScN 2 = Sc (2-56)

53
 International Journal on Architectural Science

Combining equations (2-47) and (2-48), ∂ρ v ∂ρ uv ∂ρ vv ∂   ∂v ∂u  

+ + −  µ  + 
∂t ∂x ∂y ∂x   ∂x ∂y  
  Y    Y 
∂ Y − O ∂ Y − O
∂  µ  F s   ∂  µ  F s  
−  −  =0 ∂  2  ∂v ∂u   ∂P
∂x  Sc ∂x  ∂y  Sc ∂x  −  µ  2 −  + + ρg = 0
    ∂y  3  ∂y ∂x   ∂y
(2-57) (2-65)

∂ρ h ∂ρ uh ∂ρ vh ∂P ∂  µ ∂h  ∂  µ ∂h 
Making φ = YF − YO , equation (2-54) can be + + − − − =0
s ∂t ∂x ∂y ∂t ∂x  Pr ∂x  ∂y  Pr ∂y 
written as: (2-66)

∂ρφ ∂ρ uφ ∂ρ vφ ∂  µ ∂φ  ∂  µ ∂φ  ∂ρ f ∂ρ uf ∂ρ vf ∂  µ ∂f  ∂  µ ∂f 
+ + −  − =0 + + −  − =0
∂t ∂x ∂y ∂x  Sc ∂x  ∂y  Sc ∂y  ∂t ∂x ∂y ∂x  Sc ∂x  ∂y  Sc ∂y 
(2-58) (2-67)

By further simplification, ∂ρYN2 ∂ρ uYN2 ∂ρ vYN2 ∂  µ ∂YN 2  ∂  µ ∂YN 2 

+ + −  −  =0
φ − φOin ∂t ∂x ∂y ∂x  Sc ∂x  ∂y  Sc ∂y 
f = (2-59)
φ Fin − φOin (2-68)

Here, φFin and φOin represent the values of P0 M

ρ= (2-69)
RT
φ F and φO at the opening respectively,
equation (2-58) can be written as: h = h (T , Y j ) (2-70)

∂ρ f ∂ρ uf ∂ρ vf ∂  µ ∂f  ∂  µ ∂f 
+ + −  − =0 There are eight equations on the eight
∂t ∂x ∂y ∂x  Sc ∂x  ∂y  Sc ∂y  unknowns ρ , u , v, P, T , f , h, YN2 to be
(2-60) solved.
Assuming the Lewis (Pr/Sc) number is 1, i.e. 3. Boundary conditions and the related
parameters
Pr (2-61)
=1
Sc Taking a two-dimensional diffusion flame
with two sides closed as an example, its
Then the energy equation can be written as: boundary condition can be expressed as:

∂ρ h ∂ρ uh ∂ρ vh ∂P ∂  µ ∂h  (a) Fuel supply condition at x = 0, − yin < y < yin :

+ + − − −
∂t ∂x ∂y ∂t ∂x  Pr ∂x 
∂  µ ∂h  ρ = ρ F , u = uF
−  =0 (2-62)
∂y  Pr ∂y  v = 0, T = TF
f =1 h = hF
Finally, a set of simplified equations is YN2 = 0 (2-71)
obtained:

∂ρ ∂ρ u ∂ρ v (2-63)
+ + =0 (b) Air supply condition at x = 0,
∂t ∂x ∂y − yout < y < − yin or yin < y < yout :

∂ρ u ∂ρ uu ∂ρ uv ∂P ∂  2  ∂u ∂v   ρ = ρ air , u = uair
+ + + −  µ  2 − 
∂t ∂x ∂y ∂x ∂x  3  ∂x ∂y   T = Tair
v = 0,
∂   ∂u ∂v   (2-64) YN2 = 0.767 f = 0
−  µ  +  = 0
∂y   ∂y ∂x   h = hair (2-72)

54
International Journal on Architectural Science

(c) Fixed wall (thermally insulated) condition at Here,

y = yout or y = − yout :
a1 = YF a1F + YO aO1 + YN12 a1N2 + YCO
1
a1 + YHO
2 CO2
1
a1
2 HO2

u=v=0
∂ρ ∂T ∂f ∂h ∂YN2 (2-73) a2 = YF aF2 + YO aO2 + YN22 aN2 2 + YCO
2
a 2 + YHO
2
a2
= = = = =0 2 CO2 2 HO2

∂y ∂y ∂y ∂y ∂y
a3 = YF aF3 + YO aO3 + YN32 aN3 2 + YCO
3
a 3 + YHO
2 CO2
3
a3
2 HO2
(d) Outflow condition at x = xL :
a1F = 0.27467 × 10−3 , aF2 = 0.3395, aF3 = −689.74
∂ v ∂ρ ∂T ∂f ∂h ∂YN 2
2
for C3H8
= = = = = =0
∂x 2 ∂x ∂x ∂x ∂x ∂x
r
∇ ⋅ ( ρu ) = 0 (2-74) aO1 = 0.1987 × 10−4 , aO2 = 0.2148, aF3 = −65.8
for O2
If the set of partial differential equations are
solved by discretizing with staggered grids, 1
aCO2
= 0.394 ×10−4 , aCO
2
2
= 0.203, aF3 = −2201.5
pressure condition is not needed. Other for CO2
relevant parameters are:
a1H 2O = 0.7652 ×10−4 , aH2 2O = 0.3932, aH3 2O = −3335.5
R = 8.31434 J/mole·K
P0 = 101.3 kPa for H2O
TF = Tair = 298 K
a1N2 = 0.208 ×10−4 , aN2 2 = 0.2345, aN3 2 = −71.77
Pr = 0.7
for N2
Sc = 0.7
M F = 44 g/mole 4. Procedure
M O = 32 g/mole
M N2 = 28 g/mole The above simplifications have combined
YF and YO and introduced f. As there is
M CO2 = 44 g/mole
not a chemical reaction production term in
M H 2O = 18 g/mole the f equation, the set of equations can be
µ = aT + b ≅ 0.002532 × 10 −5 T + 1.426 × 10 −5 solved rather easily. The specific solving
steps can be described by the flowchart in Fig.
s = 3.63636
1.
β1 = 0.647
h = a1T 2 + a2T + a3

Present time step µ , ρ

h, f
u , v, P
µ , ρ are known, solving Solving energy New fluid
momentum equation and equation and parameters
continuity equation component Yj ,T µ, ρ
equation

Next time step

Fig. 1: Solution Chart

55
 International Journal on Architectural Science

In each time step, assuming that µ and ρ YF = 0

are already known, the continuous equation YO = 0
and momentum equation can be solved to
obtain the new u , v, P ; and then the energy (
YCO2 = β1 1 − YN 2 )
equation and component equation are solved
to obtain h, f and YN , and then get YF ,
(
YH 2O = (1 − β1 ) 1 − YN2 ) (2-77)
2

YO and T. The new fluid parameters µ

(b) If f < f s , φ < 0, YF < YO , there is lean fuel
and ρ can be obtained from the new Y j s
and T. The steps are repeated until and rich air, then
convergence. Practically, it is not necessary
to obtain accurate results in one time step. YF = 0
Approximately convergent results can be YO = − sφ
obtained by just one multi-grid finite cycle as
seen in later sections. (
YCO2 = β1 1 + sφ − YN 2 )
How YF , YO and the product components
(
YH 2O = (1 − β1 ) 1 + sφ − YN 2 ) (2-78)

can be obtained after getting f as shown here.

The chemical reaction is assumed to be (c) If f > f s , φ > 0, YF > YO , there is rich fuel
irreversible and infinitely fast, there can only s
be three situations: a) rich fuel and lean air: and lean air, then
only fuel and products left after reaction; b)
rich air and lean fuel: only air and products YF = φ
left after reaction; c) fuel and air in YO = 0
stoichiometric mixture proportion: no fuel
and no air left after reaction, but only the (
YCO2 = β1 1 − φ − YN2 )
products.
(
YH 2O = (1 − β1 ) 1 − φ − YN 2 ) (2-79)
In summary, this kind of infinitely fast
chemical reaction does not allow the Here,
coexistence of gas and fuel after the reaction.
If there is fuel left, there would be no air; and φ = f (φFin − φOin ) + φOin
vice versa.
In this way, the reactant and product
In following the above definitions,
components can be solved. The new ρ
φ − φOin ， φ ≠ φ and µ can be obtained:
f = Fin Oin
φ Fin − φOin
P0 M
ρ=
YO RT
φ = YF − (2-75)
s
µ = aT + b
Defining f s as the critical value which
Here, M is the average molecular weight.
φ = 0:
Considering the actual flow, at least one
more transport equation has to be solved for
φOin (2-76) the product YCO or YH O . They are
fs =
φOin − φ Fin 2 2

assumed to have proper proportion to

simplify the numerical solution process.
Obviously, there will be three situations: The following parameters (without including
gravity) are selected as examples for solving
(a) If f = f s , fuel and air are in right proportion, the laminar diffusion flames:
then
yin = 0.318 cm
yout = 2.540 cm
L = 30.00 cm
uF = 3.000 cm/s

56
International Journal on Architectural Science

uO = 9.880 cm/s ∂ρYN 2 ∂ρ uYN 2 ∂ρ vYN 2

+ +
TF = 298.0 K ∂t ∂x ∂y
TO = 298.0 K
∂  µ ∂YN2  ∂  µ ∂YN2  (2-86)
−  −  =0
The Reynolds number is: ∂x  ScN2 ∂x  ∂y  ScN2 ∂y 

Re =
ρO uO yout
≈ 150 (
YCO2 = 1 − YF − YO − YN 2 β1 ) (2-87)
µO

2.4.2 Numerical modeling of combustion with (

YH 2O = 1 − YF − YO − YN 2 (1 − β1 ) ) (2-88)
finite reaction rate
∂ρ h ∂ρ uh ∂ρ vh ∂P ∂  µ ∂h  ∂  µ ∂h 
+ + − − − =0
For simplicity, in the following discussion on ∂t ∂x ∂y ∂t ∂x  Pr ∂x  ∂y  Pr ∂y 
combustion problems with finite reaction rate, the
chemical reaction is assumed as a one-step (2-89)
irreversible reaction:
PM
ρ= (2-90)
C3H8 + 5O2 + 18.8N2 → 3CO2 + 4H2O + 18.8N2 RT
(2-80)
h = h(Y j , T ) (2-91)
The control equations and boundary conditions are
similar as in the previous section. They are listed
There are 11 equations on 11 unknowns
again below:
u , v, P, ρ , T , h, YF , YO , YCO2 , YH 2O and YN 2 .
∂ρ ∂ρ u ∂ρ v (2-81)
+ + =0 The boundary conditions can be described as
∂t ∂x ∂y
follows:

∂ρ u ∂ρ uu ∂ρ uv ∂P (1) x = 0, − yin < y < yin

+ + +
∂t ∂x ∂y ∂x
∂  2  ∂u ∂v   ∂   ∂u ∂v   ρ = ρF
−  µ  2 −  −  µ  +  = 0 u = uF , v = 0
∂x  3  ∂x ∂y   ∂y   ∂y ∂x  
(2-82) T = TF , h = hF
YF = 1, YO = 0
∂ρ v ∂ρ uv ∂ρ vv ∂   ∂v ∂u   YN2 = 0 (2-92)
+ + −  µ  + 
∂t ∂x ∂y ∂x   ∂x ∂y  
(2) x = 0, − yout < y < − yin or yin < y < yout ,
∂  2  ∂v ∂u   ∂P (2-83)
−  µ  2 −  + + ρg = 0
∂y  3  ∂y ∂x   ∂y ρ = ρ air
u = uair , v = 0
T = Tair , h = hair
∂ρYF ∂ρ uYF ∂ρ vYF ∂  µ ∂YF  YF = 0, YO = 0.233
+ + −  
∂t ∂x ∂y ∂x  ScF ∂x  YN 2 = 0.767 (2-93)
∂  µ ∂YF  ∂  µ ∂YF  (2-84)
−  −   + wF = 0
∂x  ScF ∂x  ∂y  ScF ∂y  (3) y = yout (fixed wall)

∂ρYO ∂ρ uYO ∂ρ vYO ∂  µ ∂YO  u=v=0

+ + −  
∂t ∂x ∂y ∂x  ScO ∂x  ∂ρ ∂T ∂f ∂h ∂YN2 (2-94)
= = = = =0
∂y ∂y ∂y ∂y ∂y
∂  µ ∂YO  ∂  µ ∂YO  (2-85)
−  −   + wO = 0
∂x  ScO ∂x  ∂y  ScO ∂y 

57
 International Journal on Architectural Science

(4) x = xL (outflow) {N}

 −
E

wO =  B ρ a +bYFaYOb −1e RT  YO{N +1} (2-98)
 
∂ v ∂ρ ∂T ∂f ∂h ∂YN 2
2
= = = = = =0
∂x 2 ∂x ∂x ∂x ∂x ∂x The terms wF and wO are linearized and then
r
∇ ⋅ ( ρu ) = 0 (2-95)
combined to the left term.

The parameters in the above equations and It should be pointed out that in here,
boundary conditions are the same as in the previous ∆t 3 >> ∆t1 , ∆t 3 >> ∆t 2 . This technique has
section.
effectively overcome the time scale problem to
allow the smooth diffusion of fuel and oxygen.
For the finite reaction rate model, the fuel equation
This term in turn increases the rate of convergence
and oxygen equation cannot be combined to cancel
significantly.
out the reaction term. The transport equation
containing the reaction term has to be solved:
Specific solution steps have been described
previously and represented by the flowchart in Fig.
∂ρYF ∂ρ uYF ∂ρ vYF ∂  µ ∂YF  1.
− − −  −
∂t ∂x ∂y ∂x  Sc ∂x 
∂  µ ∂YF  The finite rate multi-step reversible reaction model
−  + wF = 0 (2-96) is very complicated and will not be described in
∂y  Sc ∂y  detail here.

Taking
3. PREMIXED TURBULENT
E
− COMBUSTION
wF = a ρ a +b a b
Y Y e
F O
RT

A = 8.6 × 1011 , E = 30 3.1 Eddy Break-Up (EBU) Model and the

a = 0.1, b = 1.65 Time-Averaged Reaction Rate of
Turbulent Flow
The finite rate combustion model has a stiffness
The eddy break-up (EBU) model was proposed by
problem on the time scale. Since the chemical
Spalding and later modified by Magnusen and
reaction rate is generally very fast, the time interval
Hiertager. There are many successful examples in
must be very short in using the explicit difference
using the model. It is based directly on a physical
method. A much longer spatial increment can be
assumption on the turbulent reaction rate. As the
used for the flow process. The explicit method
reaction rate in laminar flow depends on the
cannot be adopted generally. The implicit
horizontal mixing, whereas the reaction rate in
approach has to be used. But this would make the
turbulent flow depends on the mixing of the
diffusion of fuel difficult, and in turn greatly delay
turbulent eddies. Experimental results indicated
the combustion process. To overcome the above
that there were strong interactions between the
difficulties, the three-step method is adopted in this
turbulent flow and reactions. The reaction would
example calculation:
affect the turbulent flow through the heat released
to induce variations in density. On the other hand,
∆t = ∆t1 + ∆t2 + ∆t3 (2-97) turbulent flow might enhance the mixing and heat
transfer of components through concentration and
(1) In step ∆t1 , using wF = wO = 0 , the flow at temperature pulsations, and in turn affect the
this time only has convection and diffusion, reaction rate.
and no combustion.
(2) In step ∆t2 , putting wF and wO into the Based on one-step reaction dynamics, the
instantaneous reaction rate in laminar or turbulent
right term of the differential equation, as in flows can be represented in the form of Arrhenius
using the explicit method. equation:
(3) In step ∆t3 , using
Z E
{N} wS = B ρ m Π Ysm s exp( − ) (3-1)
 −
E
 { N +1}
s =1 RT
wF =  Aρ a + b a −1 b
F Y Y e
O
RT
 YF
  where ws is the reaction rate of the s component, i.e.
s component amounts (Kg/m3·s) produced or
consumed per unit time per unit volume; E is the

58
International Journal on Architectural Science

activation energy, R is the common gas constant,
Ys = ρ s ρ is the mass fraction of the s component,
B is the pre-exponential factor, and m = ∑ ms is
the order of reaction.
When the reaction consists of two components, fuel
F and oxidizer O, and the reaction is assumed as a
second-order reaction where the concentrations of
the two components have an effect, the reaction
rate is:
E
wS = B ρ 2YF YO exp(− ) = k ρ 2YF YO
RT
al. 50 years ago. The burning flame surface was
deformed by the turbulent pulsations. Not only
folding occurred, the surface was also broken into
pieces of different sizes to expand the flame
surface. Therefore, more combustible mixed
gases were burnt per unit time. As a result, the
spreading rate of turbulent flames is much faster
than that of laminar flames.
If the spreading rate of laminar flames is S L , then
for turbulent flow,
(3-2) ST = S L 1 + kT (u ' S L )2

When conducting Reynolds expansion of the above Usually, kT is taken as 1, and u ' is the turbulent
instantaneous reaction rate, i.e. taking pulsation velocity.
Turbulent reactions are difficult to model because
YF = YF + YF′ , YO = YO + YO′ , T = T + T ′ , k = k + k ′, of the exponent functions in terms k 'YF' , k 'YO'

That gives: and k 'YF' YO' , etc. in equation (3-3), i.e.

E . Physical knowledge for
2 2 k = B exp(− )
ws = ρ kYF YO = ρ kYF YO (1 + F ) (3-3) RT
modeling the above relations directly is still not
where clear. The EBU model proposed by Spalding has
solved the problems on the turbulent reaction rate.
YF′YO′ k ′YF′ k ′YO′ k ′YF′YO′ If the chemical reaction rate is determined by the
F= + + + >0
YF YO kYF kYO kYF YO rates of production and dissipation of turbulent
eddies and the mixing rate of reactant molecules,
Therefore, then the turbulent mixing or turbulent pulsation-
controlled fuel reaction rate by Spalding is:
2
ws ≠ ρ kYF YO
ε
wF ,T ~ ρ ( )YF′2 (3-4)
k
For turbulent flow, the reaction rate of the average
value is not equal to the average value of the
The instantaneous fuel concentration has to be
reaction rate. As the value of F is greater than 0,
calculated in this equation. This instantaneous
and
quantity is related to the average value of the fuel
component to close the set of equations by
E E Magnusen and Hiertager. The reaction rate of
k = Bexp(− ) > B exp(− )
RT RT fuel can be expressed as wF ,T ~ YF (ε / k ) .
However, on the flame side near to the fuel, the
Putting in k gives: supply of oxygen is not constant. The eddies of
the oxidizer would confine the combustion rate in
2 E the above equation. Therefore,
ws ≠ B ρ YF YO exp( − )
RT wF ~ YO / s(ε / k ) and the reaction rate can be
expressed as:
Note that exp( − E RT ) > exp(− E RT ) is the
ε
relationship between the concentration pulsations
of different substances induced by turbulence.
wF = −CR ρ
k
{ }
min YF , YO / s (3-5)

The relationship between concentration and

temperature pulsations, and the temperature For turbulent premixed flames, a term on the
pulsations itself have enhanced and increased the concentration of combustion product has to be
time-averaged reaction rate. This is consistent added,
with the early assumptions made on turbulent gas
combustion. Folding occurred on the surface of
laminar flames had been proposed by Damköhler et

59

ε  E 
wF = −CR ρ min YF , YO / s, YF YO AP exp(− )
k  RT 
(3-6)
CR is the empirical constant, usually taken as 0.35
to 0.4. It is believed in some works that CR
might be related to the form of PDF of the mixture
fraction.
In the EBU model, the components of the oxidizer
and combustion product can be expressed as:
ξ − YF ,
YO = 1 − YF − Ypr = 1 − YF − YO
ξS
Although EBU model has already been widely
applied, its chemical reaction dynamic process is
still not very satisfactory. For example, some
problems concerning the CO species cannot be
represented by fast chemistry. Essentially, the
results calculated by EBU are the same as those
PDF results assumed by fast chemistry.
3.2 Eddy Dissipation Model (EDC)
EBU model is the earliest model used in turbulent
premixed combustion, then for non-premixed
flames. Later, the concept was extended to eddy
dissipation model (EDC). The fuel burning rate
given by equation (3-6) can be rewritten as:
ε Y Y When τ T τ C >> 1, it is a diffusion-controlled
ρ wF = α ρ min(YF , O , β P ) (3-7)
k s (1 + s )
α and β are adjustable parameters of closed
equations.
Practically, for larger values of α , the adjustment
and closing of the equations are more difficult.
The above equation indicated that the reaction rate
is also affected by the fuel and other components.
The burning gases and the energy carried would
ignite other reaction substances. In the
distribution space of the mixture, there is not just
diffusion combustion, but also situations where the
mass fraction is lower than the average fuel mass
fraction.
In the EBU model, there are only the average
concentrations of fuel and oxidizer YF and YO .
These might be the minimum value of the turbulent
dissipation rate of fuel or oxidizer that is
dominating the reaction rate of turbulent diffusion
flames. In the EBU model proposed by Spalding,
the reaction rate (as equation (3-4)) is only related
to the turbulent dissipation rate of the premixed gas.
Whereas in the EDC model, the reaction rate is
International Journal on Architectural Science
related to the minimum value of turbulent
dissipation rate of the premixed gas, oxidizer and
combustion products with higher temperature.
3.3 Expansion of the EBU Model
Considering the EBU-Arrhenius model used in
partly premixed reactions, when F = 0, equation (3-
3) is the reaction rate of the time-averaged value
based on Arrhenius mechanism. Each term
related F in equation (3-3) is related to the
concentration pulsations Y ′2 of each species. In
analyzing equation (3-3) qualitatively, it can be
seen that the turbulent reaction rates ws and ws , A
are related to Y ′2 . Practically, the mixing ability
and chemical reaction ability of the fuel and
oxidizer have an effect on the reaction rate ws .
To express the effect of the turbulent mixing ability
and chemical reaction ability, two characteristic
times are introduced,
y reaction time: τ c = YF w F , A
y diffusion (turbulent mixing) time:
l2 l k
τT = = 12 =
DT k ε
where l is the turbulent mixing length, DT is the
turbulent diffusion coefficient, k is the turbulent
energy and ε is the turbulent dissipation rate.
reaction flow, and non-premixed diffusion
combustion. τ C is much smaller than τ T , and
the reaction rate is very fast. Another extreme
case is that τ T τ C << 1, which is a reaction
dynamics-controlled chemical reaction flow.
Under general conditions, the whole flow field is at
a state τ T τ C ≈ 1 , after a certain degree of mixing
of different reaction components. Both the
reaction dynamics and diffusion would be affected.
Based on these physical foundations, it is assumed
in the expanded EBU model that, in premixed
reaction flow where both Arrhenius reaction
dynamic mechanism and turbulent mixing
mechanism have an effect,
ws = f1 (τ T ,τ C ) or ws = f 2 ( ws.. A , wsT
.. )
Although it is known that ws.. A ∝ 1 , wsT
.. ∝
1 ,
τC τT
because of the lack of understanding of the reaction
mechanism, the following approximation is made
in the EBU model. In the flow field,
τ C < τ T or wsT
.. < ws.. A
, taking ws. ≈ wsT
..
60
International Journal on Architectural Science

τ T < τ C or ws. A < ws.T , taking ws. ≈ ws. . A One-step chemical reaction is:

i.e. ws = min [ ws.T , ws. A ] (3-8) wF + wO / s → w pr /(1 + s )

Introducing Zeldovich’s transformation,

2 E 2
ws = B ρ YF YO exp(− ) = k ρ YF YO
RT φ = YF − YO / s .
and ws.T (based on the design of the EBU model
In turbulent flows, φ , YF and YO are all
as in equation (3-4)) is directly proportional to the
mean-square of concentration pulsations, i.e. instantaneous quantities. The function φ is a
pulsation frequency Y ′2 , or inversely proportional kind of integrated concentration, also called
to pulsation time τ T . conservation scalar. This is because there is no
source term in the conservation equation of φ .
The equations for the instantaneous component
Eddy break-up frequency
diffusion of fuel and oxygen are:
ε
ws ,T ~ YS′2 (3-9) ∂ ∂ ∂ ∂Y
k ( ρYF ) + ( ρ u jYF ) = ( D F ) − wF (3-11)
∂t ∂x j ∂x j ∂x j
For the reaction rate of fuel F,
∂ ∂ ∂ ∂Y
( ρYO ) + ( ρ u jYO ) = ( D O ) − wO (3-12)
ε ∂t ∂x j ∂x j ∂x j
wF .T = CR ρ YF (3-10)
k
Multiplying equation (3-12) by 1/s, and subtracting
Results predicted by using the simplified equation it from equation (3-11), the φ equation without a
(3-10) did not deviate from those by equation (3-9). source term can be obtained,
Although EBU model is relatively simple, the
effect of pulsation time on the reaction rate can be ∂ ∂ ∂ ∂φ
described. The predicted results agree with the ( ρφ ) + ( ρ u jφ ) = (D ) (3-13)
experimental results in many cases. ∂t ∂x j ∂x j ∂x j

3.4 Simplified PDF Model of Fast Reaction The above is valid for both non-premixed
Flow τ T τ C >> 1 (Diffusion-Controlled) diffusion-controlled reaction flow and premixed
reaction flow under all situations.
When τ T τ C >> 1, the reaction rate is much faster
Introducing the mixing fraction for non-premixed
than turbulent mixing. The reaction flow is
diffusion-controlled situations,
controlled by the comparatively slower diffusion
process. That is the situation for diffusion flames.
For the condition τ T τ C >> 1, solutions with
φ − φ2
f =
φ1 − φ2
certain simplifications could only give some rough
qualitative estimation. Numerical method has to
be used to achieve more accurate results. where φ1 and φ2 are the values of φ on the fuel
side and on the oxygen side respectively,
Experiments have proved that under general φ1 = φ F 1 = 1, φ2 = −YO ,2 / s = −1/ s . Therefore f1 = 1,
circumstances, an infinitely thin flame surface does
f2 = 0, the mixing fraction f expresses the degree of
not exist. In turbulent diffusion flames, there
mixing of the two components. F is also a
would be a region where time-averaged values of
conservation scalar, the instantaneous conservation
fuel and oxygen exist together in the same space.
equation for f under diffusion-controlled turbulent
But the two of them would not exist at the same
flow is,
time, i.e. the instantaneous values of the two do not
coexist. Through introducing the concept of
∂ ∂ ∂ ∂f (3-14)
conservation scalar or mixing fraction and fast (ρ f ) + (ρu j f ) = (D )
reaction, and using the assumed probability density ∂t ∂x j ∂x j ∂x j
distribution function, the problem can be solved.
This equation is similar to equation (2-40) under
For turbulent flow, there also exists one-step laminar flow conditions.
chemical reactions. Zeldovich’s transformation
can yield a conservation scalar and mixing fraction. Assume that the reaction is infinitely fast when

61
 International Journal on Architectural Science

compared with turbulent mixing (diffusion), i.e. of the time-averaged value of the mixing fraction
τ T τ C >> 1. The basic assumption in diffusion f . Similarly, the correlation between the time-
combustion is that fuel and oxygen would not exist averaged temperature T and the time-averaged
at the same time or in the same space. There
mixing fraction f can be obtained.
exists a reaction surface or flame surface that both
concentrations are zero. The whole flow field is
divided into two regions. On the oxygen side, 3.5 k − ε − f Flame Surface Model
there are both oxygen and combustion products.
However, fuel and oxygen cannot exist together. By using equations (3-15) and (3-16) on Y O and
Y F , and the instantaneous value of f in equation (3-
Defining 14), through Reynolds expansion and taking the
time-averaged value, the equation of time-averaged
1 T
value of f can be obtained,
∫ Ydt ， ϕ = ϕ − ϕ
'
Y = lim
T → max T 0

∂ ∂ ∂ µ ef ∂ f (3-17)
Obviously, on the flame surface (ρ f ) + ( ρu j f ) = ( )
∂t ∂x j ∂x j µ f ∂x j
YF = YO = 0
Considering the k , ε , f equation on turbulent
φ2 1s 1 convection and diffusion and forming a set of
f = fF = = = equations,
φ1 − φ2 1 + (1 s ) 1 + s
∂ρ ∂ (3-18)
In the region 0 < f < f F , which is the side near to + ( ρu j ) = 0
∂t ∂x j
the oxygen, there is no fuel, i.e. YF = 0 .
∂ ∂ ∂ ∂u
Therefore, ( ρ ui ) + ( ρ ui u j ) = ( µ eff i ) + Sui (3-19)
∂t ∂x j ∂x j ∂x j
1
φ − φ2 (−Y O / s ) − φ2 (Y O / s ) + ( s ) 1 − Y O ∂
(ρk) +
∂
( ρu j k ) =
∂ µ eff ∂k
( ) + Gk − ρε
f = = = =
φ1 − φ2 φ1 − φ2 1 1+ s ∂t ∂x j ∂x j σ k ∂x j
1+ ( )
s (3-20)

where s = φ1 ∂ ∂ ∂ µ eff ∂ε ε
( ρε ) + ( ρ u jε ) = ( ) + (C1Gk − C2 ρε )
φ2 ∂t ∂x j ∂x j σ ε ∂x j k
or (3-21)

Y O = 1 − f (1 + s ) = 1 +
f (3-15) ∂ ∂ ∂ µ eff ∂ f (3-22)
(ρ f ) + ( ρu j f ) = ( )
fF ∂t ∂x j ∂x j σ f ∂x j

On the side near to the fuel, there is no oxygen in This is called the k − ε − f model.
the region f F < f < 1 , i.e. Y O = 0 .
By solving these equations, and according to the
Then function relation of YF ( f ), YO ( f ) and T ( f ) ,

Y F − φ2 Y F + (1 s ) sY F + 1 Y F , Y O and T in the average concentration and

f = = = temperature fields can be obtained. These can
φ1 − φ2 1 + (1 s ) s +1
also be found on the flame surface Y O = Y F = 0 ,
i.e. f =
1 isolines. However, the results
or
1+ s
obtained are still too simplified and not very
(1 + s ) f − 1 f − f F (3-16)
YF = = satisfactory. The reason is that an infinitely thin
s 1 − fF flame surface with zero concentration of fuel and
oxygen does not exist in real turbulent diffusion
The time-averaged values Y F and Y O of fuel flames. But on the flame surface with a finite
and oxygen can both be represented as the function thickness, the time-averaged values of fuel and

62
International Journal on Architectural Science

oxygen concentration coexist in the same space. ∂( ρ g ) ∂

Therefore, there are problems in the above + ( ρu j g )
∂t ∂x j
expressions on Y F = YF ( f ) and Y O = YO ( f ) .
∂ µ eff ∂g ∂f ε
= ( ) + Cg1 µ eff ( ) 2 − Cg2 ρ g (3-25)
3.6 k − ε − f − g Model of Partial ∂x j σ g ∂x j ∂x j k
Instantaneous Non-Mixing
The set of equations consisting of equations (3-18)
Since the reaction is very fast, fuel and oxygen to (3-22), together with equation (3-15) is called
cannot exist at the same time. However, their the k − ε − f − g model. Since the ultimate
time-averaged values can exist at the same place.
numerical solution is to find the time-averaged
For the time-averaged condition of the flow field, a
reaction surface does not exist. But the flame concentration and temperature YF , Yox and T
surface model can be extended to introduce the from f and g, the PDF method has to be used.
concept of partial instantaneous non-mixing in the
turbulent eddies. The spatial distribution of time- If the PDF is known, then YF , Yox and T can
averaged concentration (and temperature) are be obtained from f and g. If any instantaneous
expressed in equations (3-15) and (3-16). Such
distribution might occur randomly between the scalar quantity ϕ is the function of the
instantaneous values Ypr and YF , or between instantaneous value of f, ϕ = ϕ ( f ) . Its
probability of occurrence is:
Ypr and YO , but each value of f would appear
according to a certain PDF. p (ϕ , x )dϕ = p ( f , x )df

When 1 > f > f F , there is no oxygen, the The time-averaged value of ϕ is:
instantaneous relationship between YF and f is:
1
ϕ ( x) = ∫ ϕ ( f ) p ( f , x) df
YF = ( f − f F ) /(1 − f F ) (3-23) 0

And when 0 < f < f F , there is no fuel, the The instantaneous relationship given by equations
(3-23) and (3-24):
instantaneous relationship between YO and f is:
1 1 f − f 
YO = 1 − f / f F (3-24) YF = ∫ YF ( f ) p( f )df = ∫  F
 p( f )df (3-26)
0 0 1− f
 F 
The above two equations on the relation between
1 1 f 
the instantaneous values are not always valid. Yo = ∫ Yo ( f ) p( f )df = ∫ 1 −  p( f )df (3-27)
They are valid only for certain f values, and each 0 0
 fF 
value of f would appear only at a certain PDF.
The problem now is how to find p(f). Generally,
The above two equations showed that all p(f) cannot be known in advance. One of the
instantaneous variables such as YF , YO , Ypr and methods is to solve the transport equation of p(f),
T can be represented as the function of the or called the probability density distribution
conservation scalar quantity f; but the relationship function model. But certain terms in the equation
between the time-averaged values of Y F , Y O and cannot be modeled easily. Another method is to
assume a p(f) in advance, referred to as the
T with the time-averaged value f is still simplified PDF model. For example, assuming
unknown. In real case, the time-averaged flame that the pulsations are step functions. It can also
surface is not infinitely thin, instead it is a region be assumed that PDF has a Gauss distribution with
with finite thickness. cut-off intermittent pulsations, PDF here is
represented as:
The above concept of partial instantaneous non-
mixing is used in the submodel for establishing the
internal state of turbulent eddies. For the whole p ( f ) = Aδ (0) + Bδ (1)
flow field, all time-averaged equations are still
equations (3-18) to (3-22). In addition, mean-  1  f − µ 2 
1
square equation g = f ′2 of the mixture fraction + exp  −    [ D ( f ) − D ( f − 1) ]
σ 2π  2  σ  
pulsations has to be solved. As derived by
Spalding et al., (3-28)

63
 International Journal on Architectural Science

where δ is the Dirac-delta function (at f = 0 and reactions are not one-step reactions, fast reaction
f = 1 ), and D ( f ) is the Heaviside step function. model of instantaneous balance inside the turbulent
eddies is proposed. A different definition of
mixture fraction is introduced here.
ξ < 0, D (ξ ) = 0
ξ > 0, D (ξ ) = 1 In combustion chambers and in rooms where fires
occur, part of the fuel has already been premixed
0 with part of the air prior to the combustion. Air
A=∫ p0 ( f )df would also be entrained later on. Mixture
−∞
fraction should be divided into the mass of the
∞ primary flow and the mass of the secondary flow
B = ∫ p0 ( f )df for calculating the instantaneous spatial
1
distribution of mixing ratio. Defining f by:

1  1  f − µ 2 
p0 ( f ) = exp  −  mp
  f = (3-31)
σ 2π  2  σ   m p + ms

where µ is the f value that corresponds to the where m p is the primary flow mass, and ms is
maximum value of p(f), and σ is the mean square
of deviation. the secondary flow mass.

At this time, the time-averaged values of f and f defined in here represents the instantaneous
mean-square pulsation are: “degree of mixing” at any one point, or the partial
instantaneous mixing ratio. Based on this
definition of f, any other conservation scalar
1 f  1  f − µ 2 
f = B+∫ exp  −  (3-29) quantity ψ can be represented as:
  df
0
σ 2π  2  σ  
ψ = f ψ p + (1 − f )ψ s (3-32)
1 f 2  1 f −µ  
2
2
g = B+∫ exp  −    df − f where ψ p , ψ s are the values of ψ in the
σ 2π  2  σ  
0

(3-30) primary and secondary mass flow respectively.

For an adiabatic system, the gas enthalpy h can

f and g at different positions of the flow are
obtained by solving the k − ε − f − g equations.
µ and σ are unknown to be formed from f and
g first. Different values of σ and µ are assumed
and substituted into the above two equations to see
whether it gives f and g consistent with their
known values. More work is required in using
PDF with cut-off Gauss distribution than using
PDF with step functions pulsations. Past results
indicated that the k − ε − f − g equation sets
combined with the simplified PDF agreed better
with the experimental data, when compared with
the k − ε − f − g flame surface model. The
cut-off Gauss distribution PDF model is slightly
better than step functions pulsations PDF model,
and the differences are very little.
The partial instantaneous non-mixing model
described previously is only applicable to simple
diffusion flames where fuel and oxygen are
provided separately; and to one-step fast reactions.
In order to extend the fast reaction assumption to
more complicated diffusion flames encountered in
engineering and taking into account that real
also be taken as a conservation scalar quantity.
When the heat diffusion coefficient and the
diffusion coefficients of other elements are equal,
h = fh p + (1 − f ) hs (3-33)
Since f is a conservation scalar quantity, the
conservation equation of its time-averaged value
f and mean-square pulsation g = f '2 can be
determined by the equation given previously.
Using the determined f and g and the assumed
simplified PDF form p(f), the PDF form at
different positions in the space can be obtained.
If the relationship ϕ(f) between any scalar ϕ and f
is known, then the time-averaged value of this
scalar can be obtained.
1
ϕ = ∫ ϕ p ( f ) df
0
or
1−
ϕ = α pϕ p + α sϕ s + ∫ ϕ p ( f )df
0+

64
International Journal on Architectural Science

where α p ,α s are the corresponding p( f ) partial dynamic equilibrium state. It is because

most of the combustions are inequilibrium
values for f = 1 and f = 0 ; and ϕ p and ϕ s
diffusion flames. The simplified PDF model has
are the values of ϕ in the primary and secondary the following set of time-averaged equations:
mass flow respectively.
Species equation:
The partial dynamic equilibrium concept based on
the assumption of fast reaction is used to establish ∂ ∂ ∂ µ e ∂Ys
( ρ Ys ) + ( ρ u j Ys ) = ( ) − ws (3-37)
the relationships between the enthalpy, pressure, ∂t ∂x j ∂x j σ Y ∂x j
element components and temperature, as well as
gas components mass fraction. Pressure
Mixture fraction equation:
variations of the turbulent reaction flow are not
large. For adiabatic systems, ϕ ＝ ϕ(f), so
∂ ∂ ∂ µ e ∂f (3-38)
T = T ( f ), ρ = ρ ( f ), Ys = Ys ( f ) ; and the time- (ρ f ) + ( ρu j f ) = ( )
∂t ∂x j ∂x j σ f ∂x j
averaged temperature, density and concentration
fields T ( f ), ρ ( f ), Ys ( f ) can be directly obtained Mixture fraction mean-square pulsation equation:
by using p(f). For non-adiabatic systems, the
conservation equation of energy can be solved as:
∂ ∂
(ρ g) + ( ρu j g )
∂ ∂ ∂ µ e ∂h ∂t ∂x j
( ρ h) + ( ρ u j h) = ( ) − Sh (3-34)
∂t ∂x j ∂x j σ h ∂x j ∂f 
2
∂ µ e ∂g ε
= ( ) + cg 1 µ e   − cg 2 ρ g
∂x j σ g ∂x j  ∂x κ
In the equations,  j 
(3-39)
T = T ( f , h)
where f is defined by equation (3-31).
ρ = ρ ( f , h)
Ys = Ys ( f , h) The time-averaged reaction rate is:

The time-averaged values of T , ρ , Ys have to  E 

 = ∫ 0 ws ( f )p ( f )df
1
ws = ρ 2Y1Y2 B exp −
be solved from  RT 
(3-40)
1−
ϕ = α pϕ p + α sϕ s + ∫ ϕ p ( f , h)df dh (3-35)
The corresponding instantaneous values in laminar
0+
combustion based on theory and data from laminar
Since it is difficult to find the probability density diffusion are:
function p ( f , h) related to h, using
Ys = Ys ( f )
p ( f , h) = p ( f ) T =T( f )

and obtain And assuming that the PDF takes the form:

1−
ϕ = α pϕ p + α sϕ s + ∫ ϕ p( f )df (3-36) p( f ) = p( f , f , g ) (3-41)
0+

where both f and g are the function of spatial

The diffusion flame mechanism of this model is
similar to the dynamic equilibrium model.
However, there are limitations in applying this
kind of partial dynamic equilibrium model. The
reaction might be too fast in practice to get a
partial dynamic equilibrium.
3.7 Simplified PDF Assumptions of Finite
Reaction Rate
For more general situations, instantaneous laminar
reaction is assumed within the turbulent eddies.
But the reaction rate is finitely fast and not under
location.
According to the above model, the solving steps
are:
1. Solve for the continuity equation,
momentum equation and the κ , ε , f , g
equations for the turbulent time-averaged
flow to get the preliminary spatial
distribution of f and g;

65
 International Journal on Architectural Science

2. Calculate ws from the values of f and g, Assuming that inside each turbulent eddy is
an instantaneous adiabatic laminar flamelet,
and the given values of ρ ( f , f , g ) and and Pr = Sc = 1 , then the relationship
Ys ( f ) , T ( f ) ; between the instantaneous ρ , T , YF , YO and
3. Put ws into the conservation equation (3-37) reaction level “ ε ” can be established.
of species s to solve for Ys ; ε is defined as:
4. Solve the conservation equation of enthalpy
h; YF Y T − T∞ c p (T − T∞ )
ε = 1− = 1− O = =
5. Calculate T from h and Ys ; YF ∞ YO∞ Tm − T∞ YF ∞ Q1
6. Solve again by including the effect of the (3-44)
estimated T on density variation, on the
momentum equation and the κ , ε , f , g Therefore, the following relationships of
instantaneous values can be obtained,
equations;
7. Repeat the above steps until convergence. YF = (1 − ε )YF ∞ (3-45)

3.8 Simplified PDF Model of Premixed

Reaction Flow (Reaction Flow YO = (1 − ε )YO∞ (3-46)
Controlled by Both Diffusion and
Chemical Reaction) T = T∞ (1 + εΛ ) (3-47)

For premixed reaction flow, i.e. the reaction flow

is controlled by both diffusion and chemical ρ = ρ ∞ (1 + εΛ ) −1 (3-48)

reaction, τ T . Though the predicted results

τc ≈1 Tm Y Q (3-49)
Λ= − 1 = F∞ 1
are closer to practical situations, the EBU- T∞ c pT∞
Arrhenius model described previously is still
unsatisfactory. The simplified PDF model was The subscripts ∞ and m represent the
developed for studying premixed reaction flow. inflowing values and the maximum value
respectively. It can be seen that once the
Assuming that the reaction is a one-step second- PDF p( ρ , T , YF , YO ) = p ( ε ) is known, the
order reaction, the instantaneous reaction rate is:
time-averaged reaction rate can be obtained.
E
ws = B ρ 2YF YO exp(− ) (3-42) 1
RT ws = ∫ ws (ε ) p (ε )d ε (3-50)
0

If the joint PDF is known,

(2) Relationship between the time-averaged
reaction level and other time-averaged
p( ρ , T , YF , YO , x)
quantities

Then the time-averaged reaction rate is: From the energy equation and conservation
equation of either instantaneous component
∞ ∞ 1 1 E YF or YO , the equation of the instantaneous
ws = ∫ ∫ ∫∫ B ρ 2 YF YO exp(− )p
0 0 0 0 RT reaction level can be obtained. For
× p( ρ ,T ,YF ,YO , x)dTd ρ dYF dYO (3-43) example, the conservation equation for YF
can be written as:
The joint PDF is easier to find if the relation ∂ ∂ ∂ ∂ε
between the instantaneous variables ρ , T , YF , YO , ( ρε ) + ( ρ u jε ) = ( D ρ ) + W
∂t ∂x j ∂x j ∂x j
etc. with a certain single instantaneous variable can
(3-51)
be obtained through experiments or other concepts.

(1) Level of reaction and instantaneous laminar The time-averaged reaction level ε can
adiabatic flame model also be obtained from the following equation:

66
International Journal on Architectural Science

∂ ∂ ∂  µ e ∂ε  
( )
ρε + ρu j ε = ( )   + W α + β + γ = 1
∂t ∂x j ∂x j  σ ε ∂x j   1 (3-59)
(3-52)  ∫ 0 f (ε）d ε = 1

1 (
 f (ε ) = f ε ,ε , ε '2
 )
∫
where W = W (ε ) p (ε )d ε .
0

Therefore,
Similar to the previous method in deriving
the g equation, the conservation equation of 1 1
reaction level mean-square pulsation ε = ∫ ε p(ε )dε = β + γ ∫ ε f (ε )dε (3-60)
0 0

η = ε '2 (neglecting the reaction term) can

1
also be derived: ε ′2 = ∫ (ε − ε ) 2 p (ε )dε = ε (1 − ε ) − γ M
0

(3-61)
∂ ∂
( ρη ) + ( ρ u jη ) = where
∂t ∂x j
2
∂ µ e ∂η  ∂ε  ε
1
M = ∫ ε (1 − ε ) f (ε ) dε
= ( ) − cη1µ e   + cη 2 ρη 0
∂x j σ η ∂x j  ∂x j κ
 
(3-53) When ε = 0, ε = 0 , and so α has no
contribution to ε ,
It is different from solving f and g
1
equations in the way that, before finding W , W = ∫ W (ε ) p (ε ) dε = W max γ I (3-62)
0
ε and η cannot be obtained in advance.
Any one scalar quantity ϕ and its mean- where
square pulsation including ε and η can be
represented as: 1 W (ε )
I=∫ f (ε ) dε
0 Wmax
1 r
ϕ = ∫ ϕ (ε ) p (ε , x )dε (3-54)
When ε = 0 and ε = 1, W ( ε ) = 0 , W would
0

1 2 r reach its maximum value Wmax at a certain

ϕ '2 = ∫ ϕ (ε ) − ϕ  p(ε , x)d ε (3-55)
0 value of ε greater than zero and smaller than
1.
1 r
ε = ∫ ε p (ε , x )dε (3-56)
0 In solving the equations, apart from solving
the continuity equation, momentum equation,
1 2 r and the k and ε equations, equations (3-53),
η = ε '2 = ∫ ε − ε  p (ε , x)d ε (3-57)
(3-54), (3-59), (3-60) and (3-63) have to be
0
solved jointly. To solve for these five
(3) Simplified PDF model equations, the method of trial and error has
to be used. This kind of model has only
A PDF p (ε ) can be assumed first and if been used for calculating one-dimensional
turbulent combustion, and not in the
there are intermittent pulsations at ε = 0 and prediction of real flames.
ε = 1, PDF takes the following form:
r r r In recent years, more complicated PDF
()
p(ε , x) = α x δ (0) + β x δ (1) () models have been developed which include
r r the combined model of the given PDF and
() ( )
+ [ D(ε ) − D(ε − 1)]γ x f ε , x (3-58) laminar flamelet (folded flame surface or
volumetric combustion), multi-dimensional
where δ ( 0 ) and δ (1) are the Dirac-delta PDF model and the model for solving the
transport equation of PDF, etc. Statistical
function at ε = 0 and ε = 1 respectively, and fluid dynamics and probability concept are
D is the Heaviside function. applied to derive turbulent combustion.
The calculations involved are too
complicated, for engineering application.

67

3.9 Brief Introduction of Laminar
Flamelet Model
Laminar flamelet combustion model is different
from SCRS in the way that it does not require a
linear relationship between the mixture fraction,
mass fraction and temperature. More
complicated experimental correlation relationships
between these variables are considered. From the
laminar flamelet relation, the species mass fraction
can be derived. The mixture fraction of the
transport equation can be solved. This is an
improvement for the infinitely fast reaction model
by including additional parameters and relations
with finitely fast chemical reaction rate.
When the Dämkohler number is very large,
1 viscosity, temperature and soot concentration of all
Daα ∝ , τ c would be very small and that goes
τc
back to the SCRS situation. For non-premixed
turbulent flames, some of the premixed
combustion systems have already got many good
starting work. For example, by using premixed
flamelet model to substitute the diffusion flamelet
model and taking assumption of flamelet, the
flame surface density model was developed.
When the mixture fraction changes in passing
through the flamelet, the concentrations and
temperatures of all chemical species also change.
By using a probe to pass through different
positions of the flamelet, the concentration,
temperature, soot concentration, viscosity,
enthalpy and pressure of all species are all
functions of the mixture fraction in the flamelet.
A simple variation diagram of combustion
products, oxygen and fuel concentration can be
derived as functions of the mixture fraction.
In the laminar flamelet model, it is assumed that
chemical reactions only take place within the basic
element ε in the laminar flame, that is, ε exists near
the fire source.
If turbulent flame is believed to be composed of
many ‘tiny parts’, then the concept of laminar
flamelet can be applied to turbulent flames such as
fires. Each ‘tiny part’ is composed of undisturbed
laminar diffusion flames. PDF can be used to
describe the average state of turbulent diffusion
flames.
Suppose chemical reactions only take place in the
thin flamelet, the chemical reaction time is shorter
than other turbulent and transport processes.
Flames under normal atmospheric pressure and
buoyancy would behave like this. The
uncertainties of the patterns of turbulent flow field
can be coupled with the complicated multi-species
chemical reactions. This assumption represents
the practical situations which the concentration,
International Journal on Architectural Science
temperature and other thermal parameters of the
instantaneous components are the functions in
conserving total quantity. Therefore, the
uncertainties of turbulent flow field and chemical
reactions are treated separately. The assumed
flamelet state relations can be saved as library files
first. Detailed chemical dynamic processes can
be combined into the Computational Fluid
Dynamics CFD model without increasing the
computing time. These flamelet relations can be
used for many times in flow field calculations. In
this way, it is not necessary to calculate the
chemical reaction process in each computing in all
node time intervals.
In using the mixture fraction through the
conservation equations, the state, enthalpy,
chemical species can be obtained from
experiments on laminar flames or from
computation. Usually, gas probe sampling would
be conducted at different positions in the thin
flamelet. For example, starting from the oxygen
side, the mixture fraction is zero. While moving
towards the center of the flamelet with increasing
temperature, a certain quantity of combustion
products including the components is taken from
the fuel to determine the concentration of carbon
and hydrogen atoms, or other related molecules
such as O, CO2 and free radicals H and HO2 at that
point.
REFERENCES
1. R.A. Strehlow, Combustion fundamentals, New
York: McGraw-Hill (1985).
2. J. Buckmaster, “The effects of radiation on
stretched flames”, Combustion Theory and
Modelling, Vol. 1, No. 1, pp. 1-11 (1997).
3. Y.B. Zel’dovich, G.I. Barenblatt, V.B. Librovich
and G.M. Makhviladze, The mathematical theory
of combustion and explosion, Moscow: Nauka,
(1980).
4. N. Peters and B. Rogg, Reduced kinetic
mechanisms for applications in combustion
systems, Berlin: Springer (1993).
5. N. Peters, “Numerical and asymptotic analysis of
systematically reduced reaction schemes for
hydrocarbon flames”, In: Numerical simulation of
combustion phenomena, Berlin: Springer, pp. 90-
109 (1985).
6. F.A. Williams, Combustion theory, 2nd edition,
Redwood City: Addison-Wesley (1985).
7. N. Peters, “Partially premixed diffusion flamelets
in nonpremixed turbulent combustion”, In: 20th
Symposium (International) on Combustion.
Pittsburgh: The Combustion Institute, pp. 353-360
(1984).
68
International Journal on Architectural Science

8. I. Glassman, Combustion, 3rd edition, New York:

Academic, pp. 205-215 (1996).
9. I. S. Wichman, N. Lakkaraju and B. Ramadan,
“The structure of quenched triple flames near cold
walls in convective flows”, Combustion Science
and Technology, Vol. 127, pp. 141-165 (1997).
10. W. M. Pitts, “Large-scale turbulent structures and
the stabilization of lifted turbulent jet diffusion
flames”, In: 23rd Symposium (International) on
Combustion, Pittsburgh: The Combustion Institute,
pp. 661-668 (1990).
11. F. Takahashi and V.R. Katta, “A numerical
analysis of a methane diffusion flame over a flat
plate”, In: Proceedings of the Central States
Section of the Combustion Institute, 27-29 April
1997, pp. 164-169 (1997).
12. R.W. Bilger, “The structure of turbulent non
premixed flames”, In: 22nd Symposium
(International) on Combustion, Pittsburgh: The
Combustion Institute (1988).
13. R. Borghi, “Turbulent combustion modelling”,
Progress in Energy and Combustion Science, Vol.
14, pp. 245-292 (1988).
14. C.M. Coats, “Coherent structures in combustion”,
Progress in Energy and Combustion Science, Vol.
22, pp. 427-509 (1996).
15. N. Peters, “Laminar flamelet concepts in turbulent
combustion”, In: 21st Symposium (International)
on Combustion. Pittsburgh: The Combustion
Institute, pp. 1231-1250 (1986).
16. A.G. Gaydon and H.G. Wolfhard, Flames, their
structure, radiation, and temperature, 4th edition,
London: Chapman & Hall (1979).
17. J. Warnatz, U. Maas and R.W. Dibble, Combustion:
physical and chemical fundamentals, modelling
and simulation, experiments, pollutant formation,
Berlin; New York: Springer (1996).

69