Modeling Premixed Combustion

Chapter 15.
Modeling Premixed
Combustion
FLUENT has a premixed turbulent combustion model based on the reaction-
progress variable approach. Information about this model is provided in
the following sections:
Section 15.1: Overview and Limitations
Section 15.2: Premixed Combustion Theory
Section 15.3: Using the Premixed Combustion Model
15.1 Overview and Limitations
15.1.1 Overview
In premixed combustion, fuel and oxidizer are mixed at the molecular
level prior to ignition. Combustion occurs as a ame front propagating
into the unburnt reactants. Examples of premixed combustion include
aspirated internal combustion engines, lean-premixed gas turbine com-
bustors, and gas-leak explosions.
Premixed combustion is much more dicult to model than non-premixed
combustion. The reason for this is that (subsonic) premixed combustion
usually occurs as a thin ame that is stretched and contorted by tur-
bulence. The overall rate of propagation of the ame is determined by
both the laminar ame speed and the turbulent eddies. The laminar
ame speed is determined by the rate that species and heat diuse up-
stream into the reactants and burn. To capture the laminar ame speed,
the internal ame structure would need to be resolved, as well as the
detailed chemical kinetics and molecular diusion processes. Since prac-
tical laminar ame thicknesses are of the order of millimeters or smaller,
resolution requirements are usually unaordable.
c Fluent Inc. November 28, 2001 15-1
Modeling Premixed Combustion
The eect of turbulence is to wrinkle and stretch the propagating laminar
ame sheet, increasing the sheet area and, in turn, the eective ame
speed. The large turbulent eddies tend to wrinkle and corrugate the
ame sheet, while the small turbulent eddies, if they are smaller than
the laminar ame thickness, may penetrate the ame sheet and modify
the laminar ame structure.
Non-premixed combustion, in comparison, can be greatly simplied to
a mixing problem (for example, the mixture fraction approach in Sec-
tion 14.1). The essence of premixed combustion modeling lies in captur-
ing the turbulent ame speed, which is inuenced by both the laminar
ame speed and the turbulence.
In premixed ames, the fuel and oxidizer are intimately mixed before
they enter the combustion device. Reaction then takes place in a com-
bustion zone that separates unburnt reactants and burnt combustion
products. Partially premixed ames exhibit the properties of both pre-
mixed and diusion ames. They occur when an additional oxidizer
or fuel stream enters a premixed system, or when a diusion ame be-
comes lifted o the burner so that some premixing takes place prior to
combustion.
Premixed and partially premixed ames can be modeled using FLUENTs
nite-rate formulation (see Chapter 13). See also Chapter 16 for infor-
mation about FLUENTs partially premixed combustion model. If the
ame is perfectly premixed, so only one stream at one equivalence ra-
tio enters the combustor, it is possible to use the premixed combustion
model.
15.1.2 Limitations
The following limitations apply to the premixed combustion model:
You must use the segregated solver. The premixed combustion
model is not available with either of the coupled solvers.
The premixed combustion model is valid only for turbulent, sub-
sonic ows. These types of ames are called deagrations. Ex-
plosions, also called detonations, where the combustible mixture is
15-2 c Fluent Inc. November 28, 2001
15.2 Premixed Combustion Theory
ignited by the heat behind a shock wave, can be modeled with the
nite-rate model using either the segregated solver or the coupled
solver. See Chapter 13 for information about the nite-rate model.
The premixed combustion model cannot be used in conjunction
with the pollutant (i.e., soot and NO
x
) models. However, a per-
fectly premixed system can be modeled with the partially premixed
model (see Chapter 16).
You cannot use the premixed combustion model to simulate react-
ing discrete-phase particles, since these would result in a partially
premixed system. Only inert particles can be used with the pre-
mixed combustion model.
The turbulent premixed combustion model, based on work by Zimont et
al. [275, 276, 278], involves the solution of a transport equation for the
reaction progress variable. The closure of this equation is based on the
denition of the turbulent ame speed.
15.2.1 Propagation of the Flame Front
In many industrial premixed systems, combustion takes place in a thin
ame sheet. As the ame front moves, combustion of unburnt reac-
tants occurs, converting unburnt premixed reactants to burnt products.
The premixed combustion model thus considers the reacting ow eld to
be divided into regions of burnt and unburnt species, separated by the
ame sheet. The progression of the reaction is therefore the same as the
progression of the ame front.
The ame front propagation is modeled by solving a transport equation
for the scalar quantity c, the (Favre averaged) reaction progress variable:
t
(c) + (vc) =
_

t
Sc
t
c
_
+S
c
(15.2-1)
where
c = reaction progress variable
Sc
t
= turbulent Schmidt number for the gradient turbulent
ux
S
c
= reaction progress source term (s
1
)
The progress variable is dened as
c =
n
i=1
Y
i
n
i=1
Y
i,ad
(15.2-2)
where
n = number of products
Y
i
= mass fraction of species i
Y
i,ad
= mass fraction of species i after complete adiabatic
combustion
Based on this denition, c = 0 where the mixture is unburnt and c = 1
where the mixture is burnt:
c = 0: unburnt mixture
c = 1: burnt mixture
The value of c is dened as a boundary condition at all ow inlets. It is
usually specied as either 0 (unburnt) or 1 (burnt).
The mean reaction rate in Equation 15.2-1 is modeled as [276]
S
c
=
u
U
t
|c| (15.2-3)
where
u
= density of unburnt mixture
U
t
= turbulent ame speed
Other mean reaction rate models exist [27], and can be specied using
user-dened functions. See the separate UDF Manual for details about
user-dened functions.
15.2.2 Turbulent Flame Speed
The key to the premixed combustion model is the prediction of U
t
, the
turbulent ame speed normal to the surface of the ame. The turbulent
ame speed is inuenced by the following:
laminar ame speed, which is, in turn, determined by the fuel
concentration, temperature, and molecular diusion properties, as
well as the detailed chemical kinetics
ame front wrinkling and stretching by large eddies, and ame
thickening by small eddies
In FLUENT, the turbulent ame speed is computed using a model for
wrinkled and thickened ame fronts [276]:
U
t
= A(u
)
3/4
U
1/2
l

1/4
1/4
t
(15.2-4)
= Au
c
_
1/4
(15.2-5)
where
A = model constant
u
= RMS (root-mean-square) velocity (m/s)

U
l
= laminar ame speed (m/s)
= k/c
p
= molecular heat transfer coecient of unburnt
mixture (thermal diusivity) (m
2
/s)
t
= turbulence length scale (m)
t
=
t
/u
= turbulence time scale (s)
c
= /U
2
l
= chemical time scale (s)
The turbulence length scale,
t
, is computed from
t
= C
D
(u
)
3
(15.2-6)
where is the turbulence dissipation rate.
The model is based on the assumption of equilibrium small-scale turbu-
lence inside the amelet, resulting in a turbulent ame speed expression
that is purely in terms of the large-scale turbulent parameters. The de-
fault value of 0.52 for A is recommended by [276], and is suitable for
most premixed ames. The default value of 0.37 for C
D
should also be
suitable for most premixed ames.
The model is strictly applicable when the smallest turbulent eddies in
the ow (the Kolmogorov scales) are smaller than the ame thickness,
and penetrate into the ame zone. This is called the thin reaction zone
combustion region, and can be quantied by Karlovitz numbers, Ka,
greater than unity. Ka is dened as
Ka =
t
l
t
=
v
2
U
2
l
(15.2-7)
where
t
l
= characteristic ame time scale
t
= smallest (Kolmogorov) turbulence time scale

v
= ()
1/4
= Kolmogorov velocity
= kinematic viscosity
Lastly, the model is valid for premixed systems where the ame brush
width increases in time, as occurs in most industrial combustors. Flames
that propagate for a long period of time equilibrate to a constant ame
width, which cannot be captured in this model.
Turbulent Flame Speed for LES
For simulations that use the LES turbulence model, the Reynolds-averaged
quantities in the turbulent ame speed expression (Equation 15.2-4) are
replaced by their equivalent sub-grid quantities. In particular, the large
eddy length scale
t
is modeled as
t
= C
s
(15.2-8)
where C
s
is the Smagorinsky constant and is the cell characteristic
length.
The RMS velocity in Equation 15.2-4 is replaced by the sub-grid velocity
uctuation, calculated as
u
=
t
1
sgs
(15.2-9)
where
sgs
is the sub-grid scale mixing rate (time scale), given in Equa-
tion 13.1-27.
Flame Stretch Eect
Since industrial low-emission combustors often operate near lean blow-
o, ame stretching will have a signicant eect on the mean turbulent
heat release intensity. To take this ame stretching into account, the
source term for the progress variable (S
c
in Equation 15.2-1) is mul-
tiplied by a stretch factor, G [278]. This stretch factor represents the
probability that the stretching will not quench the ame; if there is no
stretching (G = 1), the probability that the ame will be unquenched is
100%.
The stretch factor, G, is obtained by integrating the log-normal distri-
bution of the turbulence dissipation rate, :
G =
1
2
erfc
_
_
1
2
_
ln
_
cr
_
+

2
_
_
(15.2-10)
where erfc is the complementary error function, and and
cr
are dened
below.
is the standard deviation of the distribution of :
=
str
ln
_
L
_
(15.2-11)
where
str
is the stretch factor coecient for dissipation pulsation, L is
the turbulent integral length scale, and is the Kolmogorov micro-scale.
The default value of 0.26 for
str
(measured in turbulent non-reacting
ows) is recommended by [276], and is suitable for most premixed ames.
cr
is the turbulence dissipation rate at the critical rate of strain [276]:
cr
= 15g
2
cr
(15.2-12)
By default, g
cr
is set to a very high value (1 10
8
) so no ame stretch-
ing occurs. To include ame stretching eects, the critical rate of strain
g
cr
should be adjusted based on experimental data for the burner. Nu-
merical models can suggest a range of physically plausible values [276],
or an appropriate value can be determined from experimental data. A
reasonable model for the critical rate of strain g
cr
is
g
cr
=
BU
2
l
(15.2-13)
where B is a constant (typically 0.5) and is the thermal diusivity.
Equation 15.2-13 can be implemented in FLUENTusing a property user-
dened function. See the separate UDF Manual for details about user-
dened functions.
Preferential Diusion
Preferential diusion accounts for the eect of variations in fuel molecu-
lar diusion coecients on heat release intensity in premixed turbulent
combustion. Inclusion of this eect is important for simulation of com-
bustion with light fuels (e.g., hydrogen) or heavy fuels (e.g., evaporated
oil). The model for preferential diusion is based on the concept of lead-
ing points, formulated in [121]. The authors of [121] derived formulas
for the changes in mixture composition within the combustion zone due
to the dierence in the molecular diusivities of fuel, D
fuel
, and oxidizer,
D
ox
. These formulas are rewritten in [278] as
lp
=
_
0
(1+Cst)d+d1
d+Cst
lp
1
0
(Cst+d)
1+
0
Cst+Cst(1
0
d)

lp
< 1
(15.2-14)
where
C
st
= mass stoichiometric coecient
0
= stoichiometric ratio of unburnt mixture composition
lp
= stoichiometric ratio of leading-point composition
and
d =
D
ox
D
fuel
(15.2-15)
The concept of leading points is applied to the FLUENT model by using
lp
instead of
0
for the formulation of the laminar ame speed, U
l
, or the
molecular heat transfer coecient, . This simple approach results in
reasonable agreement with the measurements of mass combustion rates
in stirred bombs [278], without the need for additional empirical param-
eters.
Gradient Diusion
Volume expansion at the ame front can cause counter-gradient diusion.
This eect becomes more pronounced when the ratio of the reactant den-
sity to the product density is large, and the turbulence intensity is small.
It can be quantied by the ratio (
u
/
b
)(U
l
/I), where
u
,
b
, U
l
, and I
are the unburnt and burnt densities, laminar ame speed, and turbulence
intensity, respectively. Values of this ratio greater than one indicate a
tendency for counter-gradient diusion, and the premixed combustion
model may be inappropriate. Recent arguments for the validity of the
turbulent-ame-speed model in such regimes can be found in Zimont et
al. [277].
15.2.3 Premixed Combustion Model Formulation in FLUENT
FLUENT will solve the transport equation for the reaction progress vari-
able c (Equation 15.2-1), computing the source term, S
c
, based on the
theory outlined above:
S
c
= AG
u
I
3/4
[U
l
(
lp
)]
1/2
[(
lp
)]
1/4
1/4
t
|c| (15.2-16)
= AG
u
I
_

t
c
(
lp
)
_
1/4
|c| (15.2-17)
15.2.4 Calculation of Temperature
The calculation method for temperature will depend on whether the
model is adiabatic or non-adiabatic.
Adiabatic Temperature Calculation
For the adiabatic premixed combustion model, the temperature is as-
sumed to vary linearly between the temperature of the unburnt mixture,
T
u
, and the temperature of the burnt products under adiabatic condi-
tions, T
ad
:
T = (1 c)T
u
+cT
ad
(15.2-18)
Non-Adiabatic Temperature Calculation
For the non-adiabatic premixed combustion model, FLUENT solves an
energy transport equation in order to account for any heat losses or gains
within the system. These losses/gains may include heat sources due to
chemical reaction or, for example, heat losses due to radiation. The
energy equation in terms of sensible enthalpy, h, for the fully premixed
fuel (see Equation 11.2-3) is as follows:
t
(h) + (vh) =
_
k +k
t
c
p
h
_
+S
h,chem
+S
h,rad
(15.2-19)
S
h,rad
represents the heat losses due to radiation and S
h,chem
represents
the heat gains due to chemical reaction:
S
h,chem
= S
c
H
comb
Y
fuel
(15.2-20)
where
S
c
= normalized average rate of product formation
(s
1
)
H
comb
= heat of combustion for burning 1 kg of fuel
(J/kg)
Y
fuel
= fuel mass fraction of unburnt mixture
15.2.5 Calculation of Density
When the premixed combustion model is used, FLUENT calculates den-
sity using the ideal gas law. For the adiabatic model, pressure variations
are neglected and the mean molecular weight is assumed to be constant.
The burnt gas density is then calculated from the following relation:
b
T
b
=
u
T
u
(15.2-21)
where the subscript u refers to the unburnt cold mixture, and the sub-
script b refers to the burnt hot mixture. The required inputs are the
unburnt density (
u
), the unburnt temperature (T
u
), and the burnt adi-
abatic ame temperature (T
b
).
For the non-adiabatic model, you can choose to either include or exclude
pressure variations in the ideal gas equation of state. If you choose to
ignore pressure uctuations, FLUENT calculates the density from
T =
u
T
u
(15.2-22)
where T is computed from the energy transport equation, Equation 15.2-19.
The required inputs are the unburnt density (
u
) and the unburnt tem-
perature (T
u
). Note that, from the incompressible ideal gas equation, the
expression
u
RT
u
/p
op
may be considered to be the eective molecular
weight of the gas, where R is the gas constant and p
op
is the operating
pressure.
If you want to include pressure uctuations for a compressible gas, you
will need to input the eective molecular weight of the gas. The density
will be calculated from the ideal gas equation of state.
15.3 Using the Premixed Combustion Model
The procedure for setting up and solving a premixed combustion model
is outlined below, and then described in detail. Remember that only the
steps that are pertinent to premixed combustion modeling are shown
here. For information about inputs related to other models that you
are using in conjunction with the premixed combustion model, see the
appropriate sections for those models.
1. Enable the premixed turbulent combustion model and set the re-
lated parameters.
Dene Models Species...
2. Dene the physical properties for the unburnt material in the do-
main.
Dene Materials...
3. Set the value of the progress variable c at ow inlets and exits.
Dene Boundary Conditions...
4. Initialize the value of the progress variable.
Solve Initialize Patch...
5. Solve the problem and perform postprocessing.
If you are interested in computing the concentrations of individual species !
in the domain, you can use the partially premixed model described in
Chapter 16. Alternatively, compositions of the unburnt and burnt mix-
tures can be obtained from external analyses using equilibrium or kinetic
calculations.
See Section 15.3.8 for important information about using a premixed !
combustion case le from FLUENT 5.
15.3.1 Enabling the Premixed Combustion Model
To enable the premixed combustion model, select Premixed Combustion
under Model in the Species Model panel (Figure 15.3.1).
Dene Models Species...
Figure 15.3.1: The Species Model Panel for Premixed Combustion
When you turn on Premixed Combustion, the panel will expand to show
the relevant inputs.
15.3.2 Choosing an Adiabatic or Non-Adiabatic Model
Under Premixed Combustion Model in the Species Model panel, choose
either Adiabatic (the default) or Non-Adiabatic. This choice will aect
only the calculation method used to determine the temperature (either
Equation 15.2-18 or Equation 15.2-19).
15.3.3 Modify ing the Constants for the Premixed Combustion
Model
In general, you will not need to modify the constants used in the equa-
tions presented in Section 15.2. The default values are suitable for a wide
range of premixed ames. If, however, you want to make some changes
to the model constants, you will nd them under Model Constants in the
Species Model panel.
You can set the Turbulence Length Scale Constant (C
D
in Equation 15.2-6),
the Turbulent Flame Speed Constant (A in Equation 15.2-4), the Stretch
Factor Coecient (
str
in Equation 15.2-11) and the Turbulent Schmidt
Number (Sc
t
in Equation 15.2-1).
For a non-adiabatic premixed combustion model, note that the value
you specify for the Turbulent Schmidt Number will also be used as the
Prandtl number for energy. (The Energy Prandtl Number will therefore
not appear in the Viscous Model panel for non-adiabatic premixed com-
bustion models.) These parameters control the level of diusion for the
progress variable and for energy. Since the progress variable is closely
related to energy (because the ame progress results in heat release), it
is important that the transport equations use the same level of diusion.
15.3.4 Dening Phy sical Properties for the Unburnt Mixture
The uid material in your domain should be assigned the properties of
the unburnt mixture, including the molecular heat transfer coecient (
in Equation 15.2-4), which is also referred to as the thermal diusivity.
is dened as k/c
p
, and values at standard conditions can be found in
combustion handbooks (e.g., [120]).
For both adiabatic and non-adiabatic combustion models, you will need
to specify the Laminar Flame Speed (U
l
in Equation 15.2-4) as a ma-
terial property. If you want to include the ame stretch eect in your
model, you will also need to specify the Critical Rate of Strain (g
cr
in
Equation 15.2-12). As discussed in Section 15.2.2, g
cr
is set to a very
high value (1 10
8
) by default, so no ame stretching occurs. To in-
clude ame stretching eects, you will need to adjust the Critical Rate
of Strain based on experimental data for the burner. Since the ame
stretching and ame extinction can inuence the turbulent ame speed
(as discussed in Section 15.2.2), a realistic value for the Critical Rate
of Strain is required for accurate predictions. Typical values for CH
4
lean premixed combustion range from 3000 to 8000 s
1
[276]. Note that
you can specify constant values or user-dened functions to dene the
Laminar Flame Speed and Critical Rate of Strain. See the separate UDF
Manual for details about user-dened functions.
See Section 15.3.8 for important information about using a premixed !
combustion case le from FLUENT 5.
For adiabatic models, you will also specify the Adiabatic Temperature of
Burnt Products (T
ad
in Equation 15.2-18), which is the temperature of
the burnt products under adiabatic conditions. This temperature will
be used to determine the linear variation of temperature in an adiabatic
premixed combustion calculation. You can specify a constant value or
use a user-dened function.
For non-adiabatic models, you will instead specify the Heat of Combustion
per unit mass of fuel and the Unburnt Fuel Mass Fraction (H
comb
and
Y
fuel
in Equation 15.2-20). FLUENT will use these values to compute the
heat losses or gains due to combustion, and include these losses/gains
in the energy equation that it uses to calculate temperature. The Heat
of Combustion can be specied only as a constant value, but you can
specify a constant value or use a user-dened function for the Unburnt
Fuel Mass Fraction.
To specify the density for a premixed combustion model, choose premixed-
combustion in the Density drop-down list and set the Density of Unburnt
Reactants and Temperature of Unburnt Reactants (T
u
and
u
in Equa-
tion 15.2-21). For adiabatic premixed models, your input for Tempera-
ture of Unburnt Reactants (T
u
) will also be used in Equation 15.2-18 to
calculate the temperature.
The other properties specied for the unburnt mixture are viscosity, spe-
cic heat, thermal conductivity, and any other properties related to other
models that are being used in conjunction with the premixed combustion
model.
15.3.5 Setting Boundary Conditions for the Progress Variable
For premixed combustion models, you will need to set an additional
boundary condition at ow inlets and exits: the progress variable, c.
Valid inputs for the Progress Variable are as follows:
c = 0: unburnt mixture
c = 1: burnt mixture
15.3.6 Initializing the Progress Variable
Often, it is sucient to initialize the progress variable c to 1 (burnt)
everywhere and allow the unburnt (c = 0) mixture entering the domain
from the inlets to blow the ame back to the stabilizer. A better ini-
tialization is to patch an initial value of 0 (unburnt) upstream of the
ame holder and a value of 1 (burnt) in the downstream region (after
initializing the ow eld in the Solution Initialization panel).
Solve Initialize Patch...
See Section 22.13.2 for details about patching values of solution variables.
15.3.7 Postprocessing for Premixed Combustion Calculations
FLUENT provides several additional reporting options for premixed com-
bustion calculations. You can generate graphical plots or alphanumeric
reports of the following items:
Progress Variable
Damkohler Number
Stretch Factor
Turbulent Flame Speed
Static Temperature
Product Formation Rate
Laminar Flame Speed
Critical Strain Rate
Unburnt Fuel Mass Fraction
Adiabatic Flame Temperature
These variables are contained in the Premixed Combustion... category
of the variable selection drop-down list that appears in postprocessing
panels. See Chapter 27 for a complete list of ow variables, eld func-
tions, and their denitions. Chapters 25 and 26 explain how to generate
graphics displays and reports of data.
Note that Static Temperature and Adiabatic Flame Temperature will ap-
pear in the Premixed Combustion... category only for adiabatic premixed
combustion calculations; for non-adiabatic calculations, Static Temper-
ature will appear in the Temperature... category. Unburnt Fuel Mass
Fraction will appear only for non-adiabatic models.
Computing Species Concentrations
If you know the composition of the unburnt and burnt mixtures in your
model (i.e., if you have performed external analyses using single-step
kinetic calculations or a third-party 1D combustion program), you can
compute the species concentrations in the domain using custom eld
functions:
To determine the concentration of a species in the unburnt mixture,
dene the custom function Y
u
(1c), where Y
u
is the mass fraction
for the species in the unburnt mixture (specied by you) and c is
the value of the progress variable (computed by FLUENT).
To determine the concentration of a species in the burnt mixture,
dene the custom function Y
b
c, where Y
b
is the mass fraction for
the species in the burnt mixture (specied by you) and c is the
value of the progress variable (computed by FLUENT).
See Section 27.5 for details about dening and using custom eld func-
tions.
15.3.8 Starting from a FLUENT 5 Premixed Combustion Case
File
If you are using a premixed combustion case le that was created in
FLUENT 5, you will need to re-enter values for several parameters that
have been moved into the Properties list in the Materials panel:
Adiabatic models
Density of Unburnt Reactants (formerly Density of Unburnt Mix-
ture in the Unburnt Mixture Density panel)
Temperature of Unburnt Reactants (formerly Temperature of
Unburnt Mixture in the Unburnt Mixture Density panel )
Adiabatic Temperature of Burnt Products (formerly Adiabatic
Products Temperature in the Species Model panel)
Laminar Flame Speed (formerly Laminar Flame Velocity in the
Species Model panel)
Critical Rate of Strain (formerly in the Species Model panel)
Non-adiabatic models
Density of Unburnt Reactants
Temperature of Unburnt Reactants
Heat of Combustion (formerly in the Species Model panel)
Unburnt Fuel Mass Fraction (formerly Fuel Mass Fraction in the
Species Model panel)
Laminar Flame Speed
Critical Rate of Strain

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Chapter 15.

= RMS (root-mean-square) velocity (m/s)

= turbulence time scale (s)

= smallest (Kolmogorov) turbulence time scale

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