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 flame 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 difficult to model than non-premixed
combustion. The reason for this is that (subsonic) premixed combustion
usually occurs as a thin flame that is stretched and contorted by tur-
bulence. The overall rate of propagation of the flame is determined by
both the laminar flame speed and the turbulent eddies. The laminar
flame speed is determined by the rate that species and heat diffuse up-
stream into the reactants and burn. To capture the laminar flame speed,
the internal flame structure would need to be resolved, as well as the
detailed chemical kinetics and molecular diffusion processes. Since prac-
tical laminar flame thicknesses are of the order of millimeters or smaller,
resolution requirements are usually unaffordable.

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The effect of turbulence is to wrinkle and stretch the propagating laminar

flame sheet, increasing the sheet area and, in turn, the effective flame
speed. The large turbulent eddies tend to wrinkle and corrugate the
flame sheet, while the small turbulent eddies, if they are smaller than
the laminar flame thickness, may penetrate the flame sheet and modify
the laminar flame structure.
Non-premixed combustion, in comparison, can be greatly simplified 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 flame speed, which is influenced by both the laminar
flame speed and the turbulence.
In premixed flames, 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 flames exhibit the properties of both pre-
mixed and diffusion flames. They occur when an additional oxidizer
or fuel stream enters a premixed system, or when a diffusion flame be-
comes lifted off the burner so that some premixing takes place prior to
combustion.
Premixed and partially premixed flames can be modeled using FLUENT’s
finite-rate formulation (see Chapter 13). See also Chapter 16 for infor-
mation about FLUENT’s partially premixed combustion model. If the
flame 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 flows. These types of flames are called deflagrations. Ex-
plosions, also called detonations, where the combustible mixture is

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 15.2 Premixed Combustion Theory

ignited by the heat behind a shock wave, can be modeled with the
finite-rate model using either the segregated solver or the coupled
solver. See Chapter 13 for information about the finite-rate model.

• The premixed combustion model cannot be used in conjunction

with the pollutant (i.e., soot and NOx ) 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.

15.2 Premixed Combustion Theory

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
definition of the turbulent flame speed.

15.2.1 Propagation of the Flame Front

In many industrial premixed systems, combustion takes place in a thin

flame sheet. As the flame front moves, combustion of unburnt reac-
tants occurs, converting unburnt premixed reactants to burnt products.
The premixed combustion model thus considers the reacting flow field to
be divided into regions of burnt and unburnt species, separated by the
flame sheet. The progression of the reaction is therefore the same as the
progression of the flame front.
The flame front propagation is modeled by solving a transport equation
for the scalar quantity c, the (Favre averaged) reaction progress variable:

 
∂ µt
(ρc) + ∇ · (ρ~v c) = ∇ · ∇c + ρSc (15.2-1)
∂t Sct

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where
c = reaction progress variable
Sct = turbulent Schmidt number for the gradient turbulent
flux
Sc = reaction progress source term (s−1 )

The progress variable is defined as

X
n
Yi
i=1
c= (15.2-2)
X
n
Yi,ad
i=1

where
n = number of products
Yi = mass fraction of species i
Yi,ad = mass fraction of species i after complete adiabatic
combustion
Based on this definition, 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 defined as a boundary condition at all flow inlets. It is

usually specified as either 0 (unburnt) or 1 (burnt).
The mean reaction rate in Equation 15.2-1 is modeled as [276]

ρSc = ρu Ut |∇c| (15.2-3)

where
ρu = density of unburnt mixture
Ut = turbulent flame speed

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 15.2 Premixed Combustion Theory

Other mean reaction rate models exist [27], and can be specified using
user-defined functions. See the separate UDF Manual for details about
user-defined functions.

15.2.2 Turbulent Flame Speed

The key to the premixed combustion model is the prediction of Ut , the

turbulent flame speed normal to the surface of the flame. The turbulent
flame speed is influenced by the following:

• laminar flame speed, which is, in turn, determined by the fuel

concentration, temperature, and molecular diffusion properties, as
well as the detailed chemical kinetics

• flame front wrinkling and stretching by large eddies, and flame

thickening by small eddies

In FLUENT, the turbulent flame speed is computed using a model for

wrinkled and thickened flame fronts [276]:

Ut = A(u0 )3/4 Ul
1/2 −1/4 1/4
α `t (15.2-4)
 1/4
0 τt
= Au (15.2-5)
τc

where
A = model constant
u0 = RMS (root-mean-square) velocity (m/s)
Ul = laminar flame speed (m/s)
α = k/ρcp = molecular heat transfer coefficient of unburnt
mixture (thermal diffusivity) (m2 /s)
`t = turbulence length scale (m)
τt = `t /u0 = turbulence time scale (s)
τc = α/Ul2 = chemical time scale (s)
The turbulence length scale, `t , is computed from

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(u0 )3
` t = CD (15.2-6)


where  is the turbulence dissipation rate.

The model is based on the assumption of equilibrium small-scale turbu-
lence inside the flamelet, resulting in a turbulent flame 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 flames. The default value of 0.37 for CD should also be
suitable for most premixed flames.
The model is strictly applicable when the smallest turbulent eddies in
the flow (the Kolmogorov scales) are smaller than the flame thickness,
and penetrate into the flame zone. This is called the thin reaction zone
combustion region, and can be quantified by Karlovitz numbers, Ka,
greater than unity. Ka is defined as

tl vη2
Ka = = 2 (15.2-7)
tη Ul

where
tl = characteristic flame time scale
tη = smallest (Kolmogorov) turbulence time scale
vη = (ν)1/4 = Kolmogorov velocity
ν = kinematic viscosity
Lastly, the model is valid for premixed systems where the flame brush
width increases in time, as occurs in most industrial combustors. Flames
that propagate for a long period of time equilibrate to a constant flame
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 flame 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

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 15.2 Premixed Combustion Theory

` t = Cs ∆ (15.2-8)

where Cs 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
fluctuation, calculated as

u0 = `t τsgs
−1
(15.2-9)

where τsgs is the sub-grid scale mixing rate (time scale), given in Equa-
tion 13.1-27.

Flame Stretch Effect

Since industrial low-emission combustors often operate near lean blow-

off, flame stretching will have a significant effect on the mean turbulent
heat release intensity. To take this flame stretching into account, the
source term for the progress variable (ρSc 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 flame; if there is no
stretching (G = 1), the probability that the flame will be unquenched is
100%.
The stretch factor, G, is obtained by integrating the log-normal distri-
bution of the turbulence dissipation rate, :
( r    )
1 1 cr σ
G = erfc − ln + (15.2-10)
2 2σ  2

where erfc is the complementary error function, and σ and cr are defined
below.
σ is the standard deviation of the distribution of :

 
L
σ = µstr ln (15.2-11)
η

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where µstr is the stretch factor coefficient for dissipation pulsation, L is

the turbulent integral length scale, and η is the Kolmogorov micro-scale.
The default value of 0.26 for µstr (measured in turbulent non-reacting
flows) is recommended by [276], and is suitable for most premixed flames.
cr is the turbulence dissipation rate at the critical rate of strain [276]:

2
cr = 15νgcr (15.2-12)

By default, gcr is set to a very high value (1 × 108 ) so no flame stretch-

ing occurs. To include flame stretching effects, the critical rate of strain
gcr 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 gcr is

BUl2
gcr = (15.2-13)
α

where B is a constant (typically 0.5) and α is the thermal diffusivity.

Equation 15.2-13 can be implemented in FLUENTusing a property user-
defined function. See the separate UDF Manual for details about user-
defined functions.

Preferential Diffusion

Preferential diffusion accounts for the effect of variations in fuel molecu-

lar diffusion coefficients on heat release intensity in premixed turbulent
combustion. Inclusion of this effect is important for simulation of com-
bustion with light fuels (e.g., hydrogen) or heavy fuels (e.g., evaporated
oil). The model for preferential diffusion 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 difference in the molecular diffusivities of fuel, Dfuel , and oxidizer,
Dox . These formulas are rewritten in [278] as

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 15.2 Premixed Combustion Theory




λ0 (1+Cst )d+d−1
λlp ≥ 1
 d+Cst
λlp = (15.2-14)


 λ0 (Cst +d)
λlp < 1
1+λ0 Cst +Cst (1−λ0 d)

where
Cst = mass stoichiometric coefficient
λ0 = stoichiometric ratio of unburnt mixture composition
λlp = stoichiometric ratio of leading-point composition
and

s
Dox
d= (15.2-15)
Dfuel

The concept of leading points is applied to the FLUENT model by using

λlp instead of λ0 for the formulation of the laminar flame speed, Ul , or the
molecular heat transfer coefficient, α. 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 Diffusion

Volume expansion at the flame front can cause counter-gradient diffusion.

This effect 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 quantified by the ratio (ρu /ρb )(Ul /I), where ρu , ρb , Ul , and I
are the unburnt and burnt densities, laminar flame speed, and turbulence
intensity, respectively. Values of this ratio greater than one indicate a
tendency for counter-gradient diffusion, and the premixed combustion
model may be inappropriate. Recent arguments for the validity of the
turbulent-flame-speed model in such regimes can be found in Zimont et
al. [277].

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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, ρSc , based on the
theory outlined above:

ρSc = AGρu I 3/4 [Ul (λlp )]1/2 [α(λlp )]−1/4 `t |∇c| (15.2-16)
1/4

" #1/4
τt
= AGρu I |∇c| (15.2-17)
τc (λlp )

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,
Tu , and the temperature of the burnt products under adiabatic condi-
tions, Tad :

T = (1 − c)Tu + cTad (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:

!
∂ k + kt
(ρh) + ∇ · (ρ~v h) = ∇ · ∇h + Sh,chem + Sh,rad (15.2-19)
∂t cp

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 15.2 Premixed Combustion Theory

Sh,rad represents the heat losses due to radiation and Sh,chem represents
the heat gains due to chemical reaction:

Sh,chem = ρSc Hcomb Yfuel (15.2-20)

where
Sc = normalized average rate of product formation
(s−1 )
Hcomb = heat of combustion for burning 1 kg of fuel
(J/kg)
Yfuel = 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:

ρb Tb = ρu Tu (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 (ρu ), the unburnt temperature (Tu ), and the burnt adi-
abatic flame temperature (Tb ).
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 fluctuations, FLUENT calculates the density from

ρT = ρu Tu (15.2-22)

where T is computed from the energy transport equation, Equation 15.2-19.

The required inputs are the unburnt density (ρu ) and the unburnt tem-
perature (Tu ). Note that, from the incompressible ideal gas equation, the
expression ρu RTu /pop may be considered to be the effective molecular

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weight of the gas, where R is the gas constant and pop is the operating
pressure.
If you want to include pressure fluctuations for a compressible gas, you
will need to input the effective 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.
Define −→ Models −→Species...

2. Define the physical properties for the unburnt material in the do-
main.
Define −→Materials...

3. Set the value of the progress variable c at flow inlets and exits.
Define −→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.

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 15.3 Using the Premixed Combustion Model

! See Section 15.3.8 for important information about using a premixed

combustion case file 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).
Define −→ 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.

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Modeling Premixed Combustion

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 affect
only the calculation method used to determine the temperature (either
Equation 15.2-18 or Equation 15.2-19).

15.3.3 Modifying 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 flames. If, however, you want to make some changes
to the model constants, you will find them under Model Constants in the
Species Model panel.
You can set the Turbulence Length Scale Constant (CD in Equation 15.2-6),
the Turbulent Flame Speed Constant (A in Equation 15.2-4), the Stretch
Factor Coefficient (µstr in Equation 15.2-11) and the Turbulent Schmidt
Number (Sct 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 diffusion for the
progress variable and for energy. Since the progress variable is closely
related to energy (because the flame progress results in heat release), it
is important that the transport equations use the same level of diffusion.

15.3.4 Defining Physical Properties for the Unburnt Mixture

The fluid material in your domain should be assigned the properties of

the unburnt mixture, including the molecular heat transfer coefficient (α
in Equation 15.2-4), which is also referred to as the thermal diffusivity.
α is defined as k/ρcp , 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

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 15.3 Using the Premixed Combustion Model

to specify the Laminar Flame Speed (Ul in Equation 15.2-4) as a ma-

terial property. If you want to include the flame stretch effect in your
model, you will also need to specify the Critical Rate of Strain (gcr in
Equation 15.2-12). As discussed in Section 15.2.2, gcr is set to a very
high value (1 × 108 ) by default, so no flame stretching occurs. To in-
clude flame stretching effects, you will need to adjust the Critical Rate
of Strain based on experimental data for the burner. Since the flame
stretching and flame extinction can influence the turbulent flame 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 CH4
lean premixed combustion range from 3000 to 8000 s−1 [276]. Note that
you can specify constant values or user-defined functions to define the
Laminar Flame Speed and Critical Rate of Strain. See the separate UDF
Manual for details about user-defined functions.
! See Section 15.3.8 for important information about using a premixed
combustion case file from FLUENT 5.
For adiabatic models, you will also specify the Adiabatic Temperature of
Burnt Products (Tad 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-defined function.
For non-adiabatic models, you will instead specify the Heat of Combustion
per unit mass of fuel and the Unburnt Fuel Mass Fraction (Hcomb and
Yfuel 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 specified only as a constant value, but you can
specify a constant value or use a user-defined 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 (Tu and ρu in Equa-
tion 15.2-21). For adiabatic premixed models, your input for Tempera-
ture of Unburnt Reactants (Tu ) will also be used in Equation 15.2-18 to

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Modeling Premixed Combustion

calculate the temperature.

The other properties specified for the unburnt mixture are viscosity, spe-
cific 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 flow 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 sufficient 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 flame back to the stabilizer. A better ini-
tialization is to patch an initial value of 0 (unburnt) upstream of the
flame holder and a value of 1 (burnt) in the downstream region (after
initializing the flow field 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

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 15.3 Using the Premixed Combustion Model

• 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 flow variables, field func-
tions, and their definitions. 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 field
functions:

• To determine the concentration of a species in the unburnt mixture,

define the custom function Yu (1 − c), where Yu is the mass fraction
for the species in the unburnt mixture (specified by you) and c is
the value of the progress variable (computed by FLUENT).

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• To determine the concentration of a species in the burnt mixture,

define the custom function Yb c, where Yb is the mass fraction for
the species in the burnt mixture (specified by you) and c is the
value of the progress variable (computed by FLUENT).

See Section 27.5 for details about defining and using custom field func-
tions.

15.3.8 Starting from a FLUENT 5 Premixed Combustion Case

File

If you are using a premixed combustion case file 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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