Академический Документы
Профессиональный Документы
Культура Документы
Modeling Non-Premixed
Combustion
c Fluent Inc. November 28, 2001 14-1
Modeling Non-Premixed Combustion
14-2
c Fluent Inc. November 28, 2001
14.1 Description of the Equilibrium Mixture Fraction/ PDF Model
Zi − Zi,ox
f= (14.1-1)
Zi,fuel − Zi,ox
where Zi is the elemental mass fraction for some element, i. The sub-
script ox denotes the value at the oxidizer stream inlet and the subscript
fuel denotes the value at the fuel stream inlet. If the diffusion coefficients
for all species are equal, then Equation 14.1-1 is identical for all elements,
and the mixture fraction definition is unique. The mixture fraction is
thus the elemental mass fraction that originated from the fuel stream.
Note that this mass fraction includes all elements from the fuel stream,
including inert species such as N2 , and any oxidizing species mixed with
the fuel, such as O2 .
If a secondary stream (another fuel or oxidant, or a non-reacting stream)
is included, the fuel and secondary mixture fractions are simply the mass
c Fluent Inc. November 28, 2001 14-3
Modeling Non-Premixed Combustion
fractions of the fuel and secondary streams. The sum of all three mixture
fractions in the system (fuel, secondary stream, and oxidizer) is always
equal to 1:
This indicates that only points on the plane ABC (shown in Figure 14.1.1)
in the mixture fraction space are valid. Consequently, the two mixture
fractions, ffuel and fsec , cannot vary independently; their values are valid
only if they are both within the triangle OBC shown in Figure 14.1.2.
fox
A fsec
1
1
C
O
B
0 1
ffuel
where psec is the normalized secondary mixture fraction and is the value
at the intersection of a line with the secondary mixture fraction axis.
14-4
c Fluent Inc. November 28, 2001
14.1 Description of the Equilibrium Mixture Fraction/ PDF Model
1 C
p
sec
f sec
O B
0
f fuel 1
Note that unlike fsec , psec is bounded between zero and one, regardless
of the ffuel value.
An important characteristic of the normalized secondary mixture frac-
tion, psec , is its assumed statistical independence from the fuel mixture
fraction, ffuel . Note that unlike fsec , psec is not a conserved scalar. The
normalized mixture fraction definition for the second scalar variable is
used everywhere except when defining the rich limit for a secondary fuel
stream, which is defined in terms of fsec .
c Fluent Inc. November 28, 2001 14-5
Modeling Non-Premixed Combustion
∂ µt
(ρf ) + ∇ · (ρ~v f ) = ∇ · ∇f + Sm + Suser (14.1-4)
∂t σt
The source term Sm is due solely to transfer of mass into the gas phase
from liquid fuel droplets or reacting particles (e.g., coal). Suser is any
user-defined source term.
In addition to solving for the mean mixture fraction, FLUENT solves a
0
conservation equation for the mean mixture fraction variance, f 2 [105]:
∂ 02 µt
ρf + ∇ · ρ~v f 0 2 = ∇ · ∇f 0 2 + Cg µt ∇2 f − Cd ρ f 0 2 + Suser
∂t σt k
(14.1-5)
0
where f = f − f . The constants σt , Cg , and Cd take the values 0.85,
2.86, and 2.0, respectively, and Suser is any user-defined source term.
The mixture fraction variance is used in the closure model describing
turbulence-chemistry interactions (see below).
0
2 are obtained from
For a two-mixture-fraction problem, ffuel and ffuel
02
Equations 14.1-4 and 14.1-5 by substituting ffuel for f and ffuel for f 0 2 .
fsec is obtained from Equation 14.1-4 by substituting fsec for f . psec is
then calculated using Equation 14.1-3, and p0sec 2 is obtained by solving
02
Equation 14.1-5 with psec substituted for f . Solution for psec instead of
02
fsec is justified by the fact that the amount of the secondary stream is
relatively small compared with the total mass flow rate. To a first-order
approximation, the variances in psec and fsec are relatively insensitive to
ffuel , and therefore p0sec
2 is essentially the same as f 0 2 .
sec
For large eddy simulations (LES), an equation for the mean mixture
fraction is solved, which is identical in form to Equation 14.1-4 except
that µt is the subgrid-scale viscosity.
A transport equation is not solved for the mixture fraction variance.
Instead, it is modeled as
14-6
c Fluent Inc. November 28, 2001
14.1 Description of the Equilibrium Mixture Fraction/ PDF Model
2
f 0 2 = Cvar L2sgs |∇f | (14.1-6)
where
Cvar = user-adjustable constant
Lsgs = subgrid length scale
F + r O → (1 + r) P (14.1-7)
(air/fuel)actual
φ= (14.1-8)
(air/fuel)stoichiometric
φ F + r O → (φ + r) P (14.1-9)
Looking at the left side of this equation, the mixture fraction for the
system as a whole can then be deduced to be
φ
f= (14.1-10)
φ+r
c Fluent Inc. November 28, 2001 14-7
Modeling Non-Premixed Combustion
The power of the mixture fraction modeling approach is that the chem-
istry is reduced to one or two conserved mixture fractions. All thermo-
chemical scalars (species mass fraction, density, and temperature) are
uniquely related to the mixture fraction(s). Given a description of the
reacting system chemistry, and certain other restrictions on the system
(see Section 14.1.3), the instantaneous mixture fraction value at each
point in the flow field can be used to compute the instantaneous values
of individual species mole fractions, density, and temperature.
If, in addition, the reacting system is adiabatic, the instantaneous val-
ues of mass fractions, density, and temperature depend solely on the
instantaneous mixture fraction, f :
φi = φi (f ) (14.1-11)
φi = φi (f, H ∗ ) (14.1-13)
14-8
c Fluent Inc. November 28, 2001
14.1 Description of the Equilibrium Mixture Fraction/ PDF Model
c Fluent Inc. November 28, 2001 14-9
Modeling Non-Premixed Combustion
14-10
c Fluent Inc. November 28, 2001
14.1 Description of the Equilibrium Mixture Fraction/ PDF Model
c Fluent Inc. November 28, 2001 14-11
Modeling Non-Premixed Combustion
Y
F
Y
O Y
P
0 f st 1
Mixture Fraction, f
Figure 14.1.3: Species Mass Fractions and Enthalpy Derived Using the
Flame Sheet Approximation
KEY
1.00E+00
CH4
O2
8.00E-01
M
o
l
CO2 e
F
6.00E-01
r
H2O a
c
t
4.00E-01
N2 i
o
n
2.00E-01
CO
H2 0.00E+00
Mixture Fraction F
14-12
c Fluent Inc. November 28, 2001
14.1 Description of the Equilibrium Mixture Fraction/ PDF Model
1X
p(f ) ∆f = lim τi (14.1-16)
T →∞ T
i
where T is the time scale and τi is the amount of time that f spends
in the ∆f band. The shape of the function p(f ) depends on the nature
of the turbulent fluctuations in f . In practice, p(f ) is expressed as a
mathematical function that approximates the PDF shapes that have
been observed experimentally.
ƒ ƒ
∆ƒ
τ τ
i i
p(ƒ)
c Fluent Inc. November 28, 2001 14-13
Modeling Non-Premixed Combustion
Z 1
φi = p(f )φi (f )df (14.1-17)
0
Z 1Z 1
φi = p1 (ffuel )p2 (psec )φi (ffuel , psec )dffuel dpsec (14.1-18)
0 0
where p1 is the PDF of ffuel and p2 is the PDF of psec . Here, statis-
tical independence of ffuel and psec is assumed, so that p(ffuel , psec ) =
p1 (ffuel )p2 (psec ).
Similarly, the true time-averaged fluid density, ρ, can be computed as
Z 1
1 p(f )
= df (14.1-19)
ρ 0 ρ(f )
Z 1Z 1
1 p1 (ffuel )p2 (psec )
= dffuel dpsec (14.1-20)
ρ 0 0 ρ(ffuel , psec )
14-14
c Fluent Inc. November 28, 2001
14.1 Description of the Equilibrium Mixture Fraction/ PDF Model
Using Equations 14.1-17 and 14.1-19 (or Equations 14.1-18 and 14.1-20),
it remains only to specify the shape of the function p(f ) (or p1 (ffuel ) and
p2 (psec )) in order to determine the local time-averaged state of the fluid
at all points in the flow field.
• the β-function
The double delta function is the most easily computed, while the β-
function most closely represents experimentally observed PDFs. The
shape produced by these functions depends solely on the mean mixture
fraction, f , and its variance, f 0 2 . The choice of these functions (and
others, such as the clipped Gaussian) have their basis in experimental
measurements of concentration fluctuations [17, 105]. A detailed descrip-
tion of each function follows.
q
f = f − qf 0 2
0.5,
p(f ) = f = f + f 02 (14.1-21)
0.5,
0, elsewhere
c Fluent Inc. November 28, 2001 14-15
Modeling Non-Premixed Combustion
p(f)
0.5
0
0 f f
Figure 14.1.6: Example of the Double Delta Function PDF Shape
f α−1 (1 − f )β−1
p(f ) = R (14.1-22)
f α−1 (1 − f )β−1 df
where
" #
f (1 − f )
α=f −1 (14.1-23)
f 02
and
" #
f (1 − f )
β = (1 − f ) −1 (14.1-24)
f 02
Figures 14.1.7 and 14.1.8 show the form of the β function for two condi-
tions of f and f 0 2 .
14-16
c Fluent Inc. November 28, 2001
14.1 Description of the Equilibrium Mixture Fraction/ PDF Model
KEY
5.53E+00
4.43E+00
P
r
o
b
a
b
i 3.32E+00
l
i
t
y
D
e
n 2.21E+00
s
i
t
y
1.11E+00
0.00E+00
Mixture Fraction F
KEY
1.63E+01
1.30E+01
P
r
o
b
a
b
i 9.78E+00
l
i
t
y
D
e
n 6.52E+00
s
i
t
y
3.26E+00
0.00E+00
Mixture Fraction F
02
Figure 14.1.8: β-Function PDF Shapes for f = 0.1 and f = 0.01
c Fluent Inc. November 28, 2001 14-17
Modeling Non-Premixed Combustion
Importantly, the PDF shape p(f ) can be computed at all points in the
flow in terms of its first two moments, namely mean, f , and variance,
0 0
f 2 . Thus, given FLUENT’s prediction of f and f 2 at each point in the
flow field (Equations 14.1-4 and 14.1-5), the known PDF shape can be
computed and used as the weighting function to determine the time-
averaged mean values of species mass fraction, density, and temperature
using, Equations 14.1-17 and 14.1-19 (or, for a system with a secondary
stream, Equations 14.1-18 and 14.1-20). This logical dependence is de-
picted visually in Figure 14.1.9 for a single mixture fraction. (When a
secondary stream is included, the PDF shape will be computed for the
fuel mixture fraction, ffuel , and the secondary partial fraction, psec , and
the order of the calculations is different, as shown in Figure 14.2.2.)
PDF Shape
¯ ƒ´ 2 )
p(ƒ) = p (ƒ,
Chemistry Model
φ i (ƒ)
1
φ i = ∫ p(ƒ) φ i (ƒ) dƒ
o
14-18
c Fluent Inc. November 28, 2001
14.1 Description of the Equilibrium Mixture Fraction/ PDF Model
φi = φi (f, H ∗ ) (14.1-25)
Z 1
φi = φi (f, H ∗ )p(f )df (14.1-26)
0
where Sh accounts for source terms due to radiation, heat transfer to wall
boundaries, and heat exchange with the second phase. Figure 14.1.10
depicts the logical dependence of mean scalar values (species mass frac-
tion, density, and temperature) on FLUENT’s prediction of f , f 0 2 , and
H ∗ in non-adiabatic single-mixture-fraction systems.
When a secondary stream is included, the scalar dependence becomes
c Fluent Inc. November 28, 2001 14-19
Modeling Non-Premixed Combustion
PDF Shape
¯ ƒ´ 2 )
p(ƒ) = p (ƒ,
Chemistry Model
φ i (ƒ, H * )
1
φ i = ∫ p(ƒ) φ i (ƒ,H* )dƒ
o
Z 1Z 1
φi = φi (ffuel , psec , H ∗ )p1 (ffuel )p2 (psec )dffuel dpsec (14.1-29)
0 0
As noted above, the non-adiabatic extensions to the PDF model are re-
quired in systems involving heat transfer to walls and in systems with
radiation included. In addition, the non-adiabatic model is required in
systems that include multiple fuel or oxidizer inlets with different inlet
temperatures or that include flue gas recycle. Finally, the non-adiabatic
model is required in particle-laden flows (e.g., liquid fuel systems or
coal combustion systems) since such flows include heat transfer to the
dispersed phase. Figure 14.1.11 illustrates several systems that must
include the non-adiabatic form of the PDF model. Note that even if
your system is non-adiabatic, you may want to perform the much sim-
pler adiabatic calculation as an initial exercise. This will allow you to
bound the non-adiabatic analysis in an efficient manner, as described in
Section 14.3.
14-20
c Fluent Inc. November 28, 2001
14.1 Description of the Equilibrium Mixture Fraction/ PDF Model
Q wall or Q radiation
Fuel f=1
Oxidant f=0
Oxidant
T = T1
Fuel
Oxidant
T = T2
Liquid Fuel or
Oxidant
Pulverized Coal
c Fluent Inc. November 28, 2001 14-21
Modeling Non-Premixed Combustion
• The chemical system must be of the diffusion type with discrete fuel
and oxidizer inlets (spray combustion and pulverized fuel flames
may also fall into this category).
• The Lewis number must be unity. (This implies that the diffusion
coefficients for all species and enthalpy are equal, a good approxi-
mation in turbulent flow).
• When two mixture fractions are used, three streams can be involved
in the system. Valid systems are as follows:
14-22
c Fluent Inc. November 28, 2001
14.1 Description of the Equilibrium Mixture Fraction/ PDF Model
c Fluent Inc. November 28, 2001 14-23
Modeling Non-Premixed Combustion
60% CH4
f=1
40% CO
21% O2
f=0
79% N2
f=0
60% CH 4
f=1
40% CO
35% O2
f=0
65% N 2
60% CH 4
20% CO
f=1
10% C3H8
10% CO2
21% O2
f=0
79% N2
60% CH 4
20% CO f=1
10% C3H8
10% CO2
14-24
c Fluent Inc. November 28, 2001
14.1 Description of the Equilibrium Mixture Fraction/ PDF Model
CH 4 /CO/C3H8
Oxidant
CH 4 /C3H 8
21% O2
Fuel
35% O2
c Fluent Inc. November 28, 2001 14-25
Modeling Non-Premixed Combustion
CH
4
O
2
N
2
You can use the non-premixed model if your FLUENT simulation includes
liquid droplets and/or coal particles. In this case, fuel enters the gas
phase within the computational domain at a rate determined by the
evaporation, devolatilization, and char combustion laws governing the
dispersed phase. In the case of coal, the volatiles and the products of
char can be defined as two different types of fuel (using two mixture
fractions) or as a single composite off-gas (using one mixture fraction),
as described in Section 14.3.5.
While most problems you solve using the non-premixed model will in-
volve inlets that contain either pure oxidant or pure fuel (f = 0 or 1),
you can include an inlet that has an intermediate value of mixture frac-
tion (0 < f < 1) provided that this inlet represents a completely reacted
mixture. Such cases arise when there is flue gas recirculation, as de-
picted schematically in Figure 14.1.15. Since f is a conserved quantity,
the mixture fraction at the flue gas recycle inlet can be computed as
or
14-26
c Fluent Inc. November 28, 2001
14.1 Description of the Equilibrium Mixture Fraction/ PDF Model
ṁfuel
fexit = (14.1-31)
ṁfuel + ṁox
where fexit is the exit mixture fraction (and the mixture fraction at the
flue gas recycle inlet), ṁox is the mass flow rate of the oxidizer inlet,
ṁfuel is the mass flow rate of the fuel inlet, ṁrecyc is the mass flow rate
of the recycle inlet.
If a secondary stream is included,
ṁfuel
ffuel,exit = (14.1-32)
ṁfuel + ṁsec + ṁox
and
ṁsec
psec,exit = (14.1-33)
ṁsec + ṁox
.
m
R
fexit
.
m f=1
F
. fexit
m f=0
O
Figure 14.1.15: Using the Non-Premixed Model with Flue Gas Recycle
c Fluent Inc. November 28, 2001 14-27
Modeling Non-Premixed Combustion
02 f 02
fs = (14.2-1)
0.25f (1 − f )
14-28
c Fluent Inc. November 28, 2001
14.2 Modeling Approaches for Non-Premixed Equilibrium Chemistry
prePDF:
1
Integration: φ = ∫ p(ƒ ) φ ( ƒ, H*)d ƒ
i i
o
Look-up Table
φ i = φi ( ƒ, ƒs ′ , H*)
2
FLUENT:
1. Solve ƒ, ƒ ′ , H*
2
2. Look up Scalars φi
c Fluent Inc. November 28, 2001 14-29
Modeling Non-Premixed Combustion
14-30
c Fluent Inc. November 28, 2001
14.2 Modeling Approaches for Non-Premixed Equilibrium Chemistry
prePDF:
Calculation: φ = φ (ƒfuel ,p ,H*)
i i sec
Look-up Table
φ = φ (ƒfuel ,p ,H*)
i i sec
FLUENT:
´2
1. Solve ƒfuel ,ƒfuel ,p ,p´2 ,H*
sec sec
2. Look up scalars φ
i
3. Compute p1 (ƒfuel )
4. Compute p2(psec )
5. Compute φi
c Fluent Inc. November 28, 2001 14-31
Modeling Non-Premixed Combustion
Scalar
Value
Scaled
Variance
Mean
Mixture
Fraction
For a system with two mixture fractions, there will be a look-up table for
each instantaneous scalar property φi as a function of the fuel mixture
fraction ffuel and the secondary partial fraction psec (Equation 14.1-12),
as shown in Figure 14.2.4.
The look-up table structure is summarized in Table 14.2.1.
14-32
c Fluent Inc. November 28, 2001
14.2 Modeling Approaches for Non-Premixed Equilibrium Chemistry
Instantaneous
Scalar
Value
Secondary
Partial
Fraction
Fuel
Mixture
Fraction
c Fluent Inc. November 28, 2001 14-33
Modeling Non-Premixed Combustion
normalized
heat loss/gain
n+1
normalized
heat loss/gainn
normalized
Scalar heat loss/gainn-1
Value
Scaled
Variance
Mean
Mixture
Fraction
14-34
c Fluent Inc. November 28, 2001
14.2 Modeling Approaches for Non-Premixed Equilibrium Chemistry
normalized
heat loss/gain
n+1
Instantaneous
Scalar
Value normalized
heat loss/gain n
normalized
heat loss/gain
n-1
Secondary
Partial
Fraction
Fuel
Mixture
Fraction
c Fluent Inc. November 28, 2001 14-35
Modeling Non-Premixed Combustion
Table 14.2.1 summarizes the look-up table format for different types of
non-premixed models.
14-36
c Fluent Inc. November 28, 2001
14.3 User Inputs for the Non-Premixed Equilibrium Model
The look-up table is the output of prePDF. It is the stored result of the
integration of Equations 14.1-17 (or 14.1-26) and 14.1-19. The look-up
table will be used in FLUENT to determine mean species mass fractions,
density, and temperature from the values of mixture fraction (f ), mix-
ture fraction variance (f 0 2 ), and enthalpy (H ∗ ) as they are computed
during the FLUENT calculation of the reacting flow. See Section 14.2
and Figures 14.2.3 and 14.2.5.
For a problem that includes a secondary stream (and, therefore, a second
mixture fraction), you will perform the first three steps listed above for
the single-mixture-fraction approach, and then prepare a look-up table
of instantaneous properties using Equation 14.1-12 or 14.1-15.
The following step-by-step procedure explains how to use prePDF, taking
you through the problem definition procedure and explaining how your
inputs are used.
c Fluent Inc. November 28, 2001 14-37
Modeling Non-Premixed Combustion
The way you start prePDF will be different for UNIX and Windows sys-
tems. The installation process (described in the separate installation in-
structions for your computer type) is designed to ensure that the prePDF
program is launched when you follow the appropriate instructions. If it
is not, consult your computer systems manager or your Fluent support
engineer.
prepdf
• Click on the Start button, select the Programs menu, select the
Fluent.Inc menu, and then select the prePDF program item. (Note
that if the default Fluent.Inc program group name was changed
when prePDF was installed, you will find the prePDF menu item in
the program group with the new name that was assigned, rather
than in the Fluent.Inc program group.)
14-38
c Fluent Inc. November 28, 2001
14.3 User Inputs for the Non-Premixed Equilibrium Model
c Fluent Inc. November 28, 2001 14-39
Modeling Non-Premixed Combustion
You can set these parameters in the Memory Allocation panel (Figure 14.3.1).
Setup −→Memory Allocation...
When you click Apply, memory will be allocated for these parameters.
If you need to allocate more memory later in the setup process, you
will need to save an input file, exit prePDF, and restart. Then, allocate
the appropriate amount of memory, read the input file into prePDF, and
continue the problem setup.
Note that, if you read an input file or PDF file without first allocating
memory, prePDF will allocate memory based on the number of species
and points specified in the file. If the number is less than the default
allocation, the default memory will be allocated. If it is more, memory
adequate for the number of species and points in the file will be allocated.
14-40
c Fluent Inc. November 28, 2001
14.3 User Inputs for the Non-Premixed Equilibrium Model
Once you have allocated memory, your first task in prePDF is to define
the type of reaction system and reaction model that you intend to use.
This includes selection of the following options:
Your subsequent inputs and the inputs that prePDF will expect from you
depend on these choices.
You can make these model selections using the Define Case panel (Fig-
ure 14.3.2).
Setup −→ Case...
Each of these modeling choices is described in detail below. Be sure to
click Apply after completing your inputs.
c Fluent Inc. November 28, 2001 14-41
Modeling Non-Premixed Combustion
14-42
c Fluent Inc. November 28, 2001
14.3 User Inputs for the Non-Premixed Equilibrium Model
• mixed fuel systems of coal and liquid fuel: In these simulations, the
fuel stream must define the coal and the secondary stream must
define the liquid fuel. See Section 14.3.5 regarding coal combustion
simulations with the non-premixed combustion model.
You should use the non-adiabatic modeling option if your problem defi-
nition in FLUENT will include one or more of the following:
c Fluent Inc. November 28, 2001 14-43
Modeling Non-Premixed Combustion
14-44
c Fluent Inc. November 28, 2001
14.3 User Inputs for the Non-Premixed Equilibrium Model
of interest are determined from the mixture fraction using the assump-
tion of chemical equilibrium (see Section 14.1.2). With this model, you
can include the effects of intermediate species and dissociation reactions,
producing more realistic predictions of flame temperatures in combus-
tion models. In contrast, the stoichiometric reaction (mixed-is-burned)
modeling option provides a less accurate single-step description of the
system chemistry. When you choose the equilibrium chemistry option,
you will have the opportunity, in Step 8, to use a “partial equilibrium”
model.
Select Equilibrium Chemistry or Stoichiometric Reaction under Chemistry
models in the Define Case panel.
! If you want to model non-equilibrium chemistry, you should use the
flamelet modeling approach described in Section 14.4. Procedures for
using this model is presented in Section 14.4.6.
The shape of the PDF you select will have some impact on the results
you obtain. In general, the default β-function PDF shape matches ex-
perimental observations of f fluctuations much better than the double-
delta function, and should be the one used. The double-delta function,
on the other hand, is more efficient computationally during the gener-
ation of look-up tables in prePDF. Since the look-up table generation
is a pre-processing step, the double-delta PDF should be used only in
special circumstances. When a secondary stream is included, you will
not choose the PDF type in prePDF. This step will occur in FLUENT
instead.
Select Delta PDF or Beta PDF under PDF models in the Define Case
panel.
c Fluent Inc. November 28, 2001 14-45
Modeling Non-Premixed Combustion
2. In the Composition panel (Step 5, below), you will not input mass or
mole fractions for each species. Instead, you will input the atomic
composition of the stream (atom mole fractions of C, H, N, S, and
O), its lower heating value, and its mean specific heat. prePDF
will compute the mole fraction of each chemical species from these
inputs.
14-46
c Fluent Inc. November 28, 2001
14.3 User Inputs for the Non-Premixed Equilibrium Model
c Fluent Inc. November 28, 2001 14-47
Modeling Non-Premixed Combustion
from the Database Species list. Continue in this manner until all
of the species you want to include are shown in the Defined Species
list.
4. When you are satisfied with your selections, click Apply and close
the panel.
14-48
c Fluent Inc. November 28, 2001
14.3 User Inputs for the Non-Premixed Equilibrium Model
species CO2 and H2 O must be selected since they are the combustion
products for the calculation of the lower caloric (heating) value of the
fuel. If you are considering S (sulfur), you will also need to add SO2 in
the species list.
In the panel, choose each solid or liquid species in the Defined Species list
and enter its Density. Note that this density should be the density of the
condensed phase species and not the apparent density of the particles as
defined in FLUENT. For example, in coal combustion, you should enter
the density of C(s) and not the apparent density of the coal. When you
have set the density for all solid and liquid species, click Apply and close
c Fluent Inc. November 28, 2001 14-49
Modeling Non-Premixed Combustion
the panel.
14-50
c Fluent Inc. November 28, 2001
14.3 User Inputs for the Non-Premixed Equilibrium Model
If you want to include a new species in your reacting system that is not
available in the chemical database, you can add it to the database files,
c Fluent Inc. November 28, 2001 14-51
Modeling Non-Premixed Combustion
After defining the species that will be considered in the reaction system,
you must define their mole or mass fractions at the fuel and oxidizer
inlets and at the secondary inlet, if one exists. (If you choose to define
the fuel or secondary stream composition empirically, you will instead
enter the parameters described at the end of this step.) For the example
shown in Figure 14.1.12c, for example, the fuel inlet consists of 60% CH4 ,
20% CO, 10% CO2 , and 10% C3 H8 . This information is input using the
Composition panel (Figure 14.3.5).
Setup −→ Species −→ Composition...
The procedure for defining mole or mass fractions is as follows:
3. Select a species from the Defined Species list and then enter its mole
or mass fraction in the selected stream (fuel, oxidizer, or secondary)
by typing in the Species Fraction field. Repeat this process for all
species in the Defined Species list until you have set all mole or
mass fractions for the selected stream.
14-52
c Fluent Inc. November 28, 2001
14.3 User Inputs for the Non-Premixed Equilibrium Model
c Fluent Inc. November 28, 2001 14-53
Modeling Non-Premixed Combustion
4. Input the mole or mass fractions for each of the other streams by
selecting the appropriate option (i.e., one that you did not choose
in step 1) and repeating step 3.
5. When you are satisfied with all the settings, click the Apply button
and close the panel.
You can check the current setting for a species in a particular stream
by selecting the stream and choosing the species name in the Defined
Species list.
If you input un-normalized mole or mass fractions when you are defining
the compositions, prePDF will scale your inputs so that they sum to
unity, and inform you (in an Information dialog box) that the mole or
mass fractions will be normalized.
If your FLUENT model involves coal combustion, the fuel and secondary
stream compositions can be input in one of several ways. You can use a
single mixture fraction (fuel stream) to represent the coal, defining the
fuel composition as a mixture of volatiles and char (solid carbon). Alter-
nately, you can use two mixture fractions (fuel and secondary streams),
defining the volatiles and char separately. In two-mixture-fraction mod-
els for coal combustion, the fuel stream represents the char and the
secondary stream represents volatiles. See Section 14.3.5 for more de-
tailed descriptions of modeling options and input procedures for coal
combustion.
14-54
c Fluent Inc. November 28, 2001
14.3 User Inputs for the Non-Premixed Equilibrium Model
2. Select each element in the Defined Species list and enter its Atom
Fraction.
3. Enter the Lower Caloric Value and Specific Heat of the Fuel (or
Secondary) stream.
4. When you are satisfied with all the settings, click the Apply button
and close the panel.
Note that for the full equilibrium option (i.e., when the fuel rich limit
set in Step 8 is 1), prePDF will also perform an equilibrium calculation
for the fuel stream inputs (e.g., at f = 1). As a result, you may find that
prePDF will modify your inputs of fuel composition and temperature if
the fuel system, as defined by your inputs, is not at equilibrium. For
example, if you define the fuel as 0.5 CO and 0.5 CH4 at 300 K, prePDF
will correct the fuel to 0.35 C(S), 0.14 CH4 , 0.009 CO, 0.1552 CO2 , and
0.3596 H2 at 751 K, which is the corresponding equilibrium composition.
Equilibrium calculations will always be used when you define your fuel
empirically, since only the full equilibrium method is available for such
cases. If you define the fuel using species mole or mass fractions, the
correction will occur only when the full equilibrium option is used. If
your fuel is a liquid or solid (coal) fuel, the equilibrium correction will
have no impact on your model setup.
! For gas-phase fuels, the effect of the equilibrium calculation on the fuel
c Fluent Inc. November 28, 2001 14-55
Modeling Non-Premixed Combustion
14-56
c Fluent Inc. November 28, 2001
14.3 User Inputs for the Non-Premixed Equilibrium Model
c Fluent Inc. November 28, 2001 14-57
Modeling Non-Premixed Combustion
14-58
c Fluent Inc. November 28, 2001
14.3 User Inputs for the Non-Premixed Equilibrium Model
c Fluent Inc. November 28, 2001 14-59
Modeling Non-Premixed Combustion
Select each species in the Defined Species list and enter its stoichiometric
coefficient in the Coefficient field. When you have set the coefficients for
all species, click Apply and close the panel.
If your fuel stream consists of more than one species, you will need to
input the stoichiometry for the composite reaction. Suppose, for example
that your fuel contains 40% CH4 and 60% CO by volume. Two moles
of O2 are required for each CH4 and 0.5 moles of O2 are required for
each mole of CO. The molar stoichiometric coefficient for O2 would thus
be input as (0.4 × 2) + (0.6 × 0.5) = 1.1. The molar stoichiometry for
each product species would be determined in a similar fashion. The final
stoichiometry would then be
As described in Section 14.1.2, you can define a rich limit on the mixture
fraction when the equilibrium chemistry option is used. Input of the rich
limit is accomplished using the Solution Parameters panel, described be-
low. For mixture fraction values above this limit, prePDF will suspend
the equilibrium chemistry calculation and will compute the composition
based on mixing of the fuel with the composition at the rich limit. When
you choose this partial equilibrium approach, you can let prePDF com-
pute the composition at the rich limit using equilibrium or you can input
14-60
c Fluent Inc. November 28, 2001
14.3 User Inputs for the Non-Premixed Equilibrium Model
prePDF requires several inputs that are used in the creation of the look-
up tables. Several of these inputs control the number and distribution
of discrete values for which the look-up tables will be computed. These
parameters are input using the Solution Parameters panel (Figure 14.3.8).
Setup −→ Solution Parameters...
c Fluent Inc. November 28, 2001 14-61
Modeling Non-Premixed Combustion
14-62
c Fluent Inc. November 28, 2001
14.3 User Inputs for the Non-Premixed Equilibrium Model
c Fluent Inc. November 28, 2001 14-63
Modeling Non-Premixed Combustion
14-64
c Fluent Inc. November 28, 2001
14.3 User Inputs for the Non-Premixed Equilibrium Model
Experimental studies and reviews [23, 213] have shown that although the
fuel lean flame region approximates thermodynamic equilibrium, chemi-
cal kinetics will prevail under fuel rich conditions. Therefore, when using
prePDF for non-empirically defined fuels, the partial equilibrium model
is strongly recommended. As described above, this approach suspends
the equilibrium calculations in the rich mixture. Guidelines on how to
set the rich limit values are given below.
If you are using the full equilibrium approach (rich limit of 1 or em-
pirically defined fuel), you should be aware that prePDF will perform
an equilibrium calculation for the fuel (e.g., at f = 1). The resulting
equilibrium fuel composition and temperature will, in most cases, differ
from your original inputs defining the fuel. This indicates that the fuel
composition and temperature, as defined by you, were not at equilibrium
conditions. When prePDF adjusts the fuel composition and temperature
to new equilibrium values, you will receive a warning message:
c Fluent Inc. November 28, 2001 14-65
Modeling Non-Premixed Combustion
The purpose of this warning is to alert you that the fuel inlet temperature
and composition have been modified to new equilibrium values. This
information is important because it impacts how you will define gaseous
fuel inlet boundary conditions in FLUENT, as follows.
The new equilibrium fuel temperature and composition define the fuel
density at gas-phase fuel inlet boundaries in FLUENT. This equilibrium
density should be used to compute the appropriate inlet velocity, pre-
serving the desired mass flow rate of the fuel. You can determine the
equilibrium fuel density using the VIEW-ALPHA/DENSITY text command
in prePDF at the final discrete F-MEAN point (f = 1). In non-adiabatic
systems, the density you should use is that on the enthalpy slice corre-
sponding to your fuel inlet temperature. If your fuel inlet temperature is
equal to the temperature you input in the Operating Conditions panel in
prePDF, you should examine the density on the adiabatic enthalpy slice.
If you have multiple fuel inlets at different inlet temperatures, you can
perform an adiabatic calculation at each temperature to determine the
equilibrium density.
! Although prePDF will compute a new equilibrium temperature for the
fuel, you should use your original prePDF input of fuel inlet tempera-
ture when you define a gas-phase fuel inlet in FLUENT. FLUENT uses
this original, non-equilibrium fuel temperature to compute the inlet fuel
enthalpy. (This enthalpy is the same as that used in the prePDF equilib-
rium calculation.) Based on this inlet enthalpy, FLUENT will determine
the equilibrium temperature, composition, and density at the fuel inlet.
If you are modeling a liquid or coal fuel using the discrete phase model,
the modified equilibrium fuel temperature and composition do not im-
pact your inputs in FLUENT.
14-66
c Fluent Inc. November 28, 2001
14.3 User Inputs for the Non-Premixed Equilibrium Model
φ 1
fs = = = 0.134 (14.3-6)
φ+r 7.435
c Fluent Inc. November 28, 2001 14-67
Modeling Non-Premixed Combustion
2
frich = = 0.237 (14.3-7)
8.435
Extension of this exercise to a fuel consisting of a mixture of hydrocar-
bons is straightforward, with Equation 14.3-4 simply taking on a more
general form. Consider, for example, a fuel-air system in which the fuel
is comprised of 60% CH4 and 40% CO:
After balancing this equation and solving for z, you can compute the air-
to-fuel mass ratio and then compute the stoichiometric mixture fraction
as described above.
If the secondary stream is an oxidizer or an inert, the rich limit for the
secondary stream should be set to 1. If it is a second fuel, the single fuel
system analysis above applies, since the secondary rich limit is defined in
terms of secondary mixture fraction, fsec (not secondary partial fraction,
psec ).
When all of the preceding procedures are complete, you should save your
inputs to an “input” file:
File −→ Write −→ Input...
This file contains all of your inputs defining the reaction system in
prePDF. You will have the option to save either a binary (unformat-
ted) file or a formatted (ASCII, or text) file. You can read and edit a
formatted file, but it will require more storage space than the same file
in binary format. Binary files take up less space and can be read and
written by prePDF more quickly, but they cannot be transferred between
all machine types.
14-68
c Fluent Inc. November 28, 2001
14.3 User Inputs for the Non-Premixed Equilibrium Model
After saving your inputs, you can initiate the computation of the look-up
tables by prePDF:
Calculate −→PDF Table
The computations performed in prePDF for a single-mixture-fraction cal-
culation culminate in the discrete integration of Equation 14.1-17 (or
14.1-26) as represented in Figure 14.1.9 (or Figure 14.1.10). For a two-
mixture-fraction calculation, prePDF will calculate the physical proper-
ties using Equation 14.1-28 or its adiabatic equivalent. These compu-
tations may take only a few moments for simple systems or they may
require up to an hour for a complex system (e.g., non-adiabatic systems
with 10 or more species). prePDF reports progress as the calculation pro-
ceeds. Below, sample output is shown for an adiabatic, single-mixture-
fraction calculation:
c Fluent Inc. November 28, 2001 14-69
Modeling Non-Premixed Combustion
.................ADIABATIC CALCULATION......................
POINTS TO-GO EQUILIBRIUM DELTA-PDF
0 375
16 359 T(K) = 2004. F-MEAN = 0.04 F-VAR = .000
17 358 T(K) = 1386. F-MEAN = 0.04 F-VAR = .018
18 357 T(K) = 1108. F-MEAN = 0.04 F-VAR = .036
19 356 T(K) = 1053. F-MEAN = 0.04 F-VAR = .040
20 355 T(K) = 1053. F-MEAN = 0.04 F-VAR = .040
21 354 T(K) = 1053. F-MEAN = 0.04 F-VAR = .040
.
.
.
356 19 T(K) = 467. F-MEAN = 0.96 F-VAR = .040
357 18 T(K) = 467. F-MEAN = 0.96 F-VAR = .040
358 17 T(K) = 467. F-MEAN = 0.96 F-VAR = .040
359 16 T(K) = 467. F-MEAN = 0.96 F-VAR = .040
360 15 T(K) = 467. F-MEAN = 0.96 F-VAR = .040
.
.
.
14-70
c Fluent Inc. November 28, 2001
14.3 User Inputs for the Non-Premixed Equilibrium Model
.................NON-ADIABATIC CALCULATION......................
POINTS TO-GO H-POINT EQUILIBRIUM DELTA-PDF
0 15375
8 15367 8 T(K) = 298. F-MEAN = 0.00 F-VAR = .000
9 15366 9 T(K) = 334. F-MEAN = 0.00 F-VAR = .000
10 15365 10 T(K) = 888. F-MEAN = 0.00 F-VAR = .000
11 15364 11 T(K) = 1391. F-MEAN = 0.00 F-VAR = .000
12 15363 12 T(K) = 1869. F-MEAN = 0.00 F-VAR = .000
13 15362 13 T(K) = 2334. F-MEAN = 0.00 F-VAR = .000
14 15361 14 T(K) = 2792. F-MEAN = 0.00 F-VAR = .000
15 15360 15 T(K) = 3243. F-MEAN = 0.00 F-VAR = .000
You may notice that non-adiabatic calculations terminate before the tab-
ulated number of points under TO-GO is zero. This is simply because the
final calculations, at mixture fraction equal to 1.0, do not include multi-
ple variance points.
For a two-mixture-fraction calculation, prePDF will print the following
information during the calculation:
The resulting look-up tables take the form illustrated in Figure 14.2.4 (or
c Fluent Inc. November 28, 2001 14-71
Modeling Non-Premixed Combustion
Additional stability issues may arise for solid or heavy liquid fuels that
have been defined using the empirical fuel approach. You may find that
14-72
c Fluent Inc. November 28, 2001
14.3 User Inputs for the Non-Premixed Equilibrium Model
for rich fuel mixtures the equilibrium calculation produces very low tem-
peratures and eventually fails. This indicates that strong endothermic
reactions are taking place and the mixture is not able to sustain them.
In this situation, you may need to raise the heating value of the fuel un-
til prePDF produces acceptable results. Provided that your fuel will be
treated as a liquid or solid (coal) fuel, you can maintain the desired heat-
ing value in your FLUENT simulation. This is accomplished by defining
the difference between the desired and the adjusted heating values as
latent heat (in the case of combusting solid fuel) or heat of pyrolysis (in
the case of liquid fuel).
The look-up tables computed by prePDF are stored in a file that you will
read into FLUENT. FLUENT will use the tables to extract the species,
density, and temperature fields from the mixture fraction field that it
predicts as part of the flow-field calculation. The look-up tables must be
saved before you exit from prePDF.
File −→ Write −→ PDF...
The file can be saved as formatted (ASCII, or text) or binary (unformat-
ted), for either FLUENT 4 or FLUENT 6.
! Be sure to save a PDF file for the appropriate solver.
In addition to reading the PDF file into FLUENT for the flow analysis,
you can read it back into prePDF at a later date if you want to examine
the look-up tables using the graphics tools described below, in Step 12.
(All types of PDF files can be read back into prePDF.)
c Fluent Inc. November 28, 2001 14-73
Modeling Non-Premixed Combustion
prePDF supplies a number of utilities that allow you to examine the result
of the look-up table computations.
You can plot the shape of the beta PDF using the Beta-Pdf panel (Fig-
ure 14.3.9).
Display −→Beta PDF...
This utility simply plots the function, Equation 14.1-22, for any value of
f (Mean Mixture Fraction) and f 0 2 (Mixture Fraction Variance) that you
define in the panel. Figure 14.1.7 illustrates two of the many forms that
the beta PDF shape may take. Note that none of your inputs in prePDF
will change the beta PDF shape for a given pair of f and f 0 2 . (Since the
β PDF plots are just for general informational purposes, you can plot
them even when you are working on a two-mixture-fraction problem, for
which the PDFs will be calculated in FLUENT.)
14-74
c Fluent Inc. November 28, 2001
14.3 User Inputs for the Non-Premixed Equilibrium Model
c Fluent Inc. November 28, 2001 14-75
Modeling Non-Premixed Combustion
KEY
1.00E+00
CH4
O2
8.00E-01
M
o
l
CO2 e
F
6.00E-01
r
H2O a
c
t
4.00E-01
N2 i
o
n
2.00E-01
CO
H2 0.00E+00
Mixture Fraction F
KEY
3.28E+03
2.62E+03
T
e
m
p 1.97E+03
e
r
a
t 1.31E+03
u
r
e
6.56E+02
0.00E+00
Mixture Fraction F
14-76
c Fluent Inc. November 28, 2001
14.3 User Inputs for the Non-Premixed Equilibrium Model
Later, during your FLUENT session, you can read and plot this data
using the File XY Plot panel.
Plot −→File...
c Fluent Inc. November 28, 2001 14-77
Modeling Non-Premixed Combustion
KEY
3.28E+03
2.62E+03
T
e
m
p 1.97E+03
e
r
a
t 1.31E+03
u
r
e
6.56E+02
0.00E+00
F Fuel
14-78
c Fluent Inc. November 28, 2001
14.3 User Inputs for the Non-Premixed Equilibrium Model
represent only the intermediate values of the properties prior to the PDF
integrations, and therefore do not correspond to any of the values in the
PDF look-up tables. In order to examine the values stored in the look-
up tables for a non-adiabatic case you should use the Nonadiabatic-Table
panel.
c Fluent Inc. November 28, 2001 14-79
Modeling Non-Premixed Combustion
14-80
c Fluent Inc. November 28, 2001
14.3 User Inputs for the Non-Premixed Equilibrium Model
2.3E+03
1.9E+03
T
E
M
P 1.5E+03
E 2.50E-01
R
A
T 2.00E-01
U
R 1.1E+03
E 1.50E-01
K SCALED-F-VARIANCE
1.00E-01
7.0E+02
5.00E-02
3.0E+02 0.00E+00
F-MEAN
c Fluent Inc. November 28, 2001 14-81
Modeling Non-Premixed Combustion
You will use this panel exactly as described above for the Pdf-Table panel,
but the resulting plot will show the selected variable as a function of in-
stantaneous fuel mixture fraction and secondary partial fraction (instead
of as a function of mean fuel mixture fraction and variance).
Alphanumeric reports are generated in the same way as for single-mixture-
fraction calculations, but the report will list the ffuel , psec points instead
of the mean/variance matrix.
14-82
c Fluent Inc. November 28, 2001
14.3 User Inputs for the Non-Premixed Equilibrium Model
In this panel, you can select the variable to be plotted in the Plot Variable
drop-down list. Next, you must define how the three-dimensional array
of data points available in the look-up table are to be sliced: which
discrete independent variable (either f or H ∗ ) is to be held constant and
whether the constant value is to be selected as a numerical value (choose
Value as the Plot type) or by discretization index (choose Slice as the
Plot type). If you choose the latter approach, click the Slice... button to
select the discretization index slice that you want.
c Fluent Inc. November 28, 2001 14-83
Modeling Non-Premixed Combustion
14-84
c Fluent Inc. November 28, 2001
14.3 User Inputs for the Non-Premixed Equilibrium Model
2.4E+03
2.0E+03
T
E
M
P 1.6E+03
E 2.50E-01
R
A
T 2.00E-01
U
R 1.1E+03
E 1.50E-01
K SCALED-F-VARIANCE
1.00E-01
7.2E+02
5.00E-02
3.0E+02 0.00E+00
F-MEAN
In addition, you supply the physical value of the selected quantity in the
Value field. When the adiabatic enthalpy option is selected, you must
supply the Fuel and Oxidiser Inlet Temperature instead of the fixed value.
prePDF uses this information to construct the adiabatic relationship be-
tween enthalpy and mixture fraction that is used to slice the table. The
adiabatic enthalpy option is very useful, as it allows you to generate
adiabatic (2D) look-up tables for various combinations of fuel and oxi-
dizer inlet temperatures from your 3D look-up table generated for the
non-adiabatic system.
Finally, you can set the Refinement Factor, which determines the res-
olution of the plotted curve. A refinement factor of 1.0 (the default)
implies that the plot will use the same number of discrete points that
c Fluent Inc. November 28, 2001 14-85
Modeling Non-Premixed Combustion
you requested in the Solution Parameters panel. Increasing this factor will
cause prePDF to compute and display additional data points, yielding a
smoother plot but requiring some time to compute.
To generate the plot, click Apply and close the Lookup Points panel, and
then click Display in the Nonadiabatic-Table panel.
14-86
c Fluent Inc. November 28, 2001
14.3 User Inputs for the Non-Premixed Equilibrium Model
The following messages may be issued by prePDF during the case setup,
the calculation of the look-up tables, or postprocessing. The source of
the message and the action required by you, if any, are detailed here.
From: Solver
CALCULATIONS INTERRUPTED
CONTINUE ? (ELSE RETURN TO MAIN MENU)
From: Solver
Action: Typing N will cause the solver to abort to the main menu and
all previous equilibrium iterations will be lost. Typing Y or RETURN
will cause the calculations to continue.
From: Graphics
c Fluent Inc. November 28, 2001 14-87
Modeling Non-Premixed Combustion
From: Graphics
Action: Decrease the enthalpy value for the property curve plot.
From: Graphics
Action: Increase the enthalpy value for the property curve plot.
From: Setup
Cause: The empirical fuel stream option has been selected but no el-
ements have been defined from which to construct the fuel. Ele-
ments allowed are C, H, O, S, and N.
14-88
c Fluent Inc. November 28, 2001
14.3 User Inputs for the Non-Premixed Equilibrium Model
From: Setup
Cause: The empirical fuel stream option has been selected but CO2
species has not been defined. CO2 is needed to calculate the heat
of formation of the empirical fuel from its heating value
From: Setup
Cause: The empirical fuel stream option has been selected but H2 O
species has not been defined. H2 O is needed to calculate the heat
of formation of the empirical fuel from its heating value.
Cause: prePDF was unable to open the file DBLINK used for temporary
storage of thermodynamic data.
Action: Make sure you have write permission in the working directory.
Cause: prePDF was unable to write the file DBLINK used for temporary
storage of thermodynamic data.
c Fluent Inc. November 28, 2001 14-89
Modeling Non-Premixed Combustion
From: Solver
Cause: This message may appear for one of the following reasons:
• the temperature limits are not sufficient
• the stoichiometry defined is incorrect.
• the rich flammability limit with the automatic stoichiometry
calculation has been used and the value of rich flammability
limit has been set too low.
From: Solver
Cause: The stoichiometry defined does not satisfy the element balance.
Action: Make sure the instructions for installation of prePDF have been
followed and all the environment variables are set correctly.
From: Solver
14-90
c Fluent Inc. November 28, 2001
14.3 User Inputs for the Non-Premixed Equilibrium Model
From: Solver
Cause: The equilibrium calculation has failed. This may happen for
the following reasons:
• The species list defined is not adequate.
• The mixture is liquid for the conditions the equilibrium solver
has entered.
From: Solver
c Fluent Inc. November 28, 2001 14-91
Modeling Non-Premixed Combustion
Single-Mixture-Fraction Approach
Two-Mixture-Fraction Approach
14-92
c Fluent Inc. November 28, 2001
14.3 User Inputs for the Non-Premixed Equilibrium Model
Start your FLUENT session in the usual way, as described in Section 1.5,
and then read in a grid file. The number and types of inlets in your model
must meet the constraints of the non-premixed modeling approach, as
discussed in Section 14.1.3 and illustrated in Figures 14.1.12, 14.1.13,
and 14.1.14.
You can read a previously defined FLUENT case file as a starting point
for your non-premixed combustion modeling. If this case file contains
inputs that are incompatible with the current non-premixed combustion
model, FLUENT will alert you when the non-premixed model is turned
on and it will turn off those incompatible models. For example, if the
case file includes species that differ from those included in the PDF file
created by prePDF, these species will be disabled. If the case file contains
property descriptions that conflict with the property data in the chemical
database, these property inputs will be ignored.
! See Step 2, below, for important information about PDF files created by
previous versions of prePDF.
Preliminaries
c Fluent Inc. November 28, 2001 14-93
Modeling Non-Premixed Combustion
effects is made in prePDF. FLUENT will turn off the energy equation if
your prePDF inputs are for an adiabatic system.
14-94
c Fluent Inc. November 28, 2001
14.3 User Inputs for the Non-Premixed Equilibrium Model
Reading "/home/mydirectory/adiabatic.pdf"...
read 5 species (binary c, adiabatic prepdf)
pdf file successfully read.
Done.
After you read in the PDF file, FLUENT will inform you that some
material properties have changed. You can accept this information; you
will be updating properties later on.
You can read in an altered PDF file at any time by using the File/Read/Pdf...
menu item.
! Recall that the non-premixed combustion model is available only when
you used the segregated solver; it cannot be used with the coupled
solvers. Also, the non-premixed combustion model is available only when
turbulence modeling is active.
If you are modeling a non-adiabatic system and you wish to include the
effects of compressibility, re-open the Species Model panel (Figure 14.3.23)
and turn on Compressibility Effects under PDF Options. This option tells
FLUENT to update the density, temperature, species mass fraction, and
enthalpy from the PDF tables to account for the varying pressure of the
system. When the non-premixed combustion model is active, you can
enable compressibility effects only in the Species Model panel. For other
models, you will specify compressible flow (ideal-gas, boussinesq, etc.) in
the Materials panel.
c Fluent Inc. November 28, 2001 14-95
Modeling Non-Premixed Combustion
Figure 14.3.23: The Species Model Panel With Available PDF Options
maximum value while building the PDF table. This resulted in a lower-
resolution table, especially for lower mixture fraction values, and at mix-
ture fraction values close to 0 and 1. To take advantage of a more ad-
vanced PDF table look-up scheme, you can read a PDF or input file
created by prePDF 2 into prePDF 4 and recalculate the look-up table.
Two-mixture-fraction PDF files created in prePDF 2 should be read into
prePDF 4 and written out in FLUENT 6 format. (Two-mixture-fraction
PDF files written by prePDF 2 cannot be read directly into FLUENT.)
Table 14.3.1 summarizes the recommended procedures for using old PDF
files in FLUENT.
14-96
c Fluent Inc. November 28, 2001
14.3 User Inputs for the Non-Premixed Equilibrium Model
c Fluent Inc. November 28, 2001 14-97
Modeling Non-Premixed Combustion
Note that the PDF filename stored in your case file may not contain the
full name of the directory in which the PDF file exists. The full directory
name will be stored in the case file only if you initially read the PDF
file through the GUI (or if you typed in the directory name along with
the filename when using the text interface). In the event that the full
directory name is absent, the automatic reading of the PDF file may fail
(since FLUENT does not know which directory to look in for the file), and
you will need to manually specify the PDF file. The safest approaches
are to use the GUI when you first read the PDF file or to supply the full
directory name when using the text interface.
14-98
c Fluent Inc. November 28, 2001
14.3 User Inputs for the Non-Premixed Equilibrium Model
c Fluent Inc. November 28, 2001 14-99
Modeling Non-Premixed Combustion
14-100
c Fluent Inc. November 28, 2001
14.3 User Inputs for the Non-Premixed Equilibrium Model
When you use the non-premixed combustion model, the material used
for all fluid zones is automatically set to pdf-mixture. This material is a
special case of the mixture material concept discussed in Section 13.1.2.
The constituent species of this mixture are the species that you defined
in prePDF; you cannot change them in FLUENT. When the non-premixed
model is used, heat capacities, molecular weights, and enthalpies of
formation for each species considered are extracted from the chemical
database, so you will not modify any properties for the constituent
species in the PDF mixture. For the PDF mixture itself, the density
is determined from the look-up tables and the specific heat is deter-
mined via the mixing law discussed in Section 7.5.4, using specific heat
values for the constituent species obtained from the chemical database
(thermodb.scm).
The physical property inputs for a non-premixed combustion problem are
therefore only the transport properties (viscosity, thermal conductivity,
etc.) for the PDF mixture. To set these in the Materials panel, choose
mixture as the Material Type, pdf-mixture (the default, and only choice)
in the Mixture Materials list, and set the desired values for the transport
properties.
Define −→Materials...
See Chapter 7 for details about setting physical properties. The trans-
port properties in a non-premixed combustion problem can be defined
as functions of temperature, if desired, but not as functions of composi-
tion. In practice, since turbulence effects will dominate, it will be of little
benefit to include even the temperature dependence of these transport
properties.
If you are modeling radiation heat transfer, you will also input radiation
properties, as described in Section 7.6. Composition-dependent absorp-
tion coefficients (using the WSGGM) are allowed.
c Fluent Inc. November 28, 2001 14-101
Modeling Non-Premixed Combustion
initialize the flow. By default, the mixture fraction and its variance have
initial values of zero, which is the recommended value; you should gener-
ally not set non-zero initial values for these variables. See Section 22.13
for details about solution initialization.
Solve −→ Initialize −→Initialize...
Next, begin calculations in the usual manner.
Solve −→ Iterate...
During the calculation process, FLUENT reports residuals for the mixture
fraction and its variance in the fmean and fvar columns of the residual
report:
The transport equations for the mean mixture fraction and mixture frac-
tion variance are quite stable and high under-relaxation can be used when
solving them. By default, an under-relaxation factor of 1 is used for the
mean mixture fraction (and secondary partial fraction) and 0.9 for the
mixture fraction variance (and secondary partial fraction variance). If
the residuals for these equations are increasing, you should consider de-
creasing these under-relaxation factors, as discussed in Section 22.9.
Density Under-Relaxation
14-102
c Fluent Inc. November 28, 2001
14.3 User Inputs for the Non-Premixed Equilibrium Model
For cases that include a secondary stream, the PDF integrations are
performed inside FLUENT. The parameters for these integrations are
defined in the Species Model panel (Figure 14.3.25).
Define −→ Models −→Species...
c Fluent Inc. November 28, 2001 14-103
Modeling Non-Premixed Combustion
Number of Flow Iterations Per Property Update specifies how often the
density, temperature, and specific heats are updated from the look-
up table. Remember that when you are calculating two mixture
fractions, the updating of properties includes computation of the
PDFs and can be quite CPU-intensive. You should generally not
reduce the Number of Flow Iterations Per Property Update below
the default value of 10, unless you are experiencing convergence
difficulties.
For simulations involving non-adiabatic multiple strained flamelets,
looking up the four-dimensional PDF tables can be CPU-intensive
if a large number of species exist in the flamelet files. In such
cases, the Number of Flow Iterations Per Property Update controls
the updating of the mean molecular weight, which involves looking
up the PDF tables for the species mass fractions.
14-104
c Fluent Inc. November 28, 2001
14.3 User Inputs for the Non-Premixed Equilibrium Model
c Fluent Inc. November 28, 2001 14-105
Modeling Non-Premixed Combustion
1.00e+00
9.00e-01
8.00e-01
7.00e-01
6.00e-01
5.00e-01
4.00e-01
3.00e-01
2.00e-01
1.00e-01
0.00e+00
1.35e-01
1.22e-01
1.08e-01
9.48e-02
8.12e-02
6.77e-02
5.42e-02
4.06e-02
2.71e-02
1.35e-02
0.00e+00
14-106
c Fluent Inc. November 28, 2001
14.3 User Inputs for the Non-Premixed Equilibrium Model
Within FLUENT, you define the liquid fuel model in the usual way. The
gas phase (oxidizer) flow inlet is modeled using an inlet mixture fraction
of zero and the fuel droplets are introduced as discrete-phase injections
(see Section 19.9). The property inputs for the liquid fuel droplets are
unaltered by the non-premixed model, and should be input as usual
(see Section 19.11). Note that when you are requested to input the gas
phase species destination for the evaporating liquid, you should input
the species that comprises the fuel stream as defined in prePDF.
Note that if the fuel stream was defined as a mixture of components
in prePDF, you should simply select one of these components as the
“evaporating species”. FLUENT will ensure that the mass evaporated
from the liquid droplet enters the gas phase as a source of the fuel mixture
that you defined in prePDF. The evaporating species you select here
is used only to compute the diffusion controlled driving force in the
evaporation rate.
c Fluent Inc. November 28, 2001 14-107
Modeling Non-Premixed Combustion
There are three basic non-premixed modeling options for coal combus-
tion:
• When coal is the only fuel in the system, you can model the coal us-
ing two mixture fractions. When this approach is used, one stream
is used to represent the char and the other stream is used to rep-
resent volatiles. Generally, the char stream composition is repre-
sented as 100% C(s). The volatile stream composition is defined
by selecting appropriate species and setting their mole or mass
fractions. Alternately, you can use the empirical method (input of
atom fractions) for defining these compositions.
! Using two mixture fractions to model coal combustion is more ac-
curate than using one mixture fraction as the volatile and char
streams are modeled separately. However, the two-mixture-fraction
model incurs significant additional computational expense since the
multi-dimensional PDF integrations are performed at run-time.
• When coal is the only fuel in the system, you can choose to model
the coal using a single mixture fraction (the fuel stream). When
this approach is adopted, the fuel composition you define includes
both volatiles species and char. Char is typically represented by
including C(s) in the species list. You can define the fuel stream
composition by selecting appropriate species and setting their mole
fractions, or by using the empirical method (input of atom frac-
tions). Definition of the composition is described in detail below.
! Using a single mixture fraction for coal combustion is less accurate
than using two mixture fractions. However, convergence in FLU-
ENT should be substantially faster than the two-mixture-fraction
model.
• When coal is used with another (gaseous or liquid) fuel, you must
model the coal with one mixture fraction and use a second mix-
14-108
c Fluent Inc. November 28, 2001
14.3 User Inputs for the Non-Premixed Equilibrium Model
When coal is modeled using a single mixture fraction (the fuel stream),
the fuel stream composition can be input using one of the following two
methods:
c Fluent Inc. November 28, 2001 14-109
Modeling Non-Premixed Combustion
Note that for both of these composition input methods, you should take
care to distinguish atomic carbon, C, from solid carbon, C(s). Atomic
carbon should only be selected if you are using the empirical fuel input
method.
14-110
c Fluent Inc. November 28, 2001
14.3 User Inputs for the Non-Premixed Equilibrium Model
If your FLUENT model will represent the coal using both the fuel stream
and the secondary stream, one stream is used to represent char and the
other stream is used to represent volatiles. (Typically the fuel stream is
used to represent the char and the secondary stream is used to represent
volatiles, but the reverse is also possible. In the procedures below, it
is assumed that the fuel stream represents the char and the secondary
stream represents the volatiles.)
The fuel stream and secondary stream compositions can be input using
one of the following two methods:
c Fluent Inc. November 28, 2001 14-111
Modeling Non-Premixed Combustion
14-112
c Fluent Inc. November 28, 2001
14.3 User Inputs for the Non-Premixed Equilibrium Model
Note that for both of these composition input methods, you should take
care to distinguish atomic carbon, C, from solid carbon, C(s). Atomic
carbon should only be selected if you are using the empirical fuel input
method.
• In the Set Injection Properties panel, you will specify for the Ox-
idizing Species one of the components of the oxidizer stream, as
defined in prePDF. This species concentration field will be used to
calculate the diffusion-controlled driving force in the char burnout
law (if applicable).
The specification of the char and volatile streams differs depending
on the type of model you are defining:
c Fluent Inc. November 28, 2001 14-113
Modeling Non-Premixed Combustion
• Also in the Materials panel, you will be prompted for the Burnout
Stoichiometric Ratio and for the Latent Heat. The Burnout Stoichio-
metric Ratio is used in the calculation of the diffusion controlled
burnout rate but has no other impact on the system chemistry
when the non-premixed combustion model is used. The Burnout
Stoichiometric Ratio is the mass of oxidant required per mass of
char. The default value of 1.33 assumes that C(s) is oxidized by
O2 to yield CO. The Latent Heat input determines the heat required
to generate the vapor phase volatiles defined in the non-premixed
system chemistry. You can usually set this value to zero when
the non-premixed model is used, since your definition of volatile
species will have been based on the overall heating value of the
14-114
c Fluent Inc. November 28, 2001
14.3 User Inputs for the Non-Premixed Equilibrium Model
• The Density you define for the coal in the Materials panel should
be the apparent density, including ash content. This is to be dis-
tinguished from the input of C(s) density in prePDF, where the
density of dry ash free char should be used.
• You will not be asked to define the Heat of Reaction for Burnout
for the char combustion. This quantity is computed based on your
inputs to prePDF.
FLUENT reports the rate of volatile release from the coal using the DPM
Evaporation/Devolatilization postprocessing variable. The rate of char
burnout is reported in the DPM Burnout variable.
c Fluent Inc. November 28, 2001 14-115
Modeling Non-Premixed Combustion
For general information about the mixture fraction model, see Section 14.1.
14-116
c Fluent Inc. November 28, 2001
14.4 The Laminar Flamelet Model
14.4.1 Introduction
c Fluent Inc. November 28, 2001 14-117
Modeling Non-Premixed Combustion
Overview
14-118
c Fluent Inc. November 28, 2001
14.4 The Laminar Flamelet Model
turbulent flame
laminar flamelet structure
(see detail below)
flame
fuel oxidizer
x
velocity (ufuel) velocity (uox)
velocity velocity
gradient (afuel) gradient (aox)
fuel-oxidizer distance
c Fluent Inc. November 28, 2001 14-119
Modeling Non-Premixed Combustion
χ = 2D|∇f |2 (14.4-1)
where
χst = scalar dissipation at f = fst
as = characteristic strain rate
fst = stoichiometric mixture fraction
erfc−1 = inverse complementary error function
Physically, as the flame is strained, the width of the reaction zone di-
minishes, and the gradient of f at the stoichiometric position f = fst
increases. The instantaneous stoichiometric scalar dissipation, χst , is
used as the essential non-equilibrium parameter. It has the dimensions
s−1 and may be interpreted as the inverse of a characteristic diffusion
time. In the limit χst → 0 the chemistry tends to equilibrium, and as χst
increases due to aerodynamic straining, the non-equilibrium increases.
Local quenching of the flamelet occurs when χst exceeds a critical value.
14-120
c Fluent Inc. November 28, 2001
14.4 The Laminar Flamelet Model
Cχ f 0 2
χst = (14.4-4)
k
c Fluent Inc. November 28, 2001 14-121
Modeling Non-Premixed Combustion
∂Yi 1 1 ∂ 2 Yi
ρ = ρχ + Si
∂t 2 Lei ∂f 2
" #
1 ∂Yi 1 ∂Lei
− ρχ 2
2 ∂f Lei ∂f
1 ∂Yi 1 1 ∂ρχ cp ∂(k/cp )
− 1− + ρχ (14.4-5)
2 ∂f 2 Lei ∂f k ∂f
∂T 1 ∂2T 1 X ∗
ρ = ρχ 2 − H i Si
∂t 2 ∂f cp i
14-122
c Fluent Inc. November 28, 2001
14.4 The Laminar Flamelet Model
" #
1 ∂cp X 1 ∂Yi ∂T
+ ρχ + cp,i
2cp ∂f i
Lei ∂f ∂f
" #
1 X
− 4σp Xi ai (T 4 − Tb4 ) (14.4-6)
cp i
p 2
as 3( ρ∞ /ρ + 1)
χ(f ) = p exp −2[erfc−1 (2f )]2 (14.4-7)
4π 2 ρ∞ /ρ + 1
The last term in Equation 14.4-6 is an optically thin model for radiative
energy loss from the flamelet. Here, σ is the Stefan-Boltzmann constant,
p is the pressure, Xi is the ith species mole fraction, ai are polynomial
coefficients for the Planck mean absorption coefficients (taken from [83]),
and Tb is the far-field (background) temperature. Including the radiation
term offers the capability of slightly increased accuracy, but may cause
flamelets to be extinguished at low strain rates. Hence, the radiation
term should be enabled with caution.
! The default setting in FLUENT is Lei = 1, although prePDF offers the
capability to include differential diffusion effects. When activated, the
Lewis numbers are automatically calculated from Equation 13.1-4. How-
ever, the mixture fraction space equations contain considerable simpli-
fication, and most often, better results are obtained with the default
Lei = 1 setting. This default is recommended, especially for highly dif-
fusive species such as H2 . The differential diffusion option should be
used only to “tweak” a Lei = 1 solution.
c Fluent Inc. November 28, 2001 14-123
Modeling Non-Premixed Combustion
You can adjust the number of grid points used to discretize the mixture
fraction space. Since the species mass fractions and temperature are
solved coupled and implicit in f space, the memory and time require-
ments can increase drastically with the number of f grid points, and
moderate values are recommended.
prePDF also provides parameters to control the stability of the solution of
Equations 14.4-5 and 14.4-6. You can adjust two multiplication factors
for the solution’s time steps if the solution diverges.
For non-adiabatic flamelets, prePDF follows the approach of [20, 164] and
assumes that flamelet species profiles are unaffected by heat loss/gain
from the flamelet. This implementation treats the heat losses accurately
and consistently. Furthermore, no special non-adiabatic flamelet profiles
need to be generated, avoiding a very cumbersome preprocessing step.
In addition, the compatibility of prePDF and FLUENT with external
flamelet generation packages (e.g., OPPDIF, RIF, RUN-1DL) is retained.
The disadvantage to this model is that the effect of the heat losses on
the species mass fraction is not taken into account. Also, the effect of
the heat loss on the extinction limits is not taken into account.
In the equilibrium non-premixed model, the temperature limits are con-
stant values Tmin and Tmax . For the non-adiabatic flamelet model, these
temperature limits are surfaces or functions of mixture fraction and
scalar dissipation to more closely bound the enthalpy domain.
The bottom temperature surface, Tmin (f, χ), is calculated as the mini-
mum of the temperature from the flamelet calculation at point (f ,χ) and
Tad (f )− ∆T − , but cannot be lower than the globally lowest temperature
in the flamelet calculation, TMIN :
The top temperature curve, Tmax (f, χ), is calculated as the maximum
of the maximum environment temperature defined by you, TMAX , the
temperature from the flamelet calculation at point f , and Tad (f )+ ∆T + :
14-124
c Fluent Inc. November 28, 2001
14.4 The Laminar Flamelet Model
where
f = mixture fraction
χ = scalar dissipation
TMIN = globally lowest temperature
TMAX = maximum boundary (e.g., hot wall or inlet)
temperature in domain
∆T − = maximum temperature drop expected
because of heat losses
∆T + = maximum temperature rise over the
adiabatic temperature curve
Tfl = temperature in flamelet profile
Tad (f ) = adiabatic (equilibrium) flame temperature
After flamelet generation, the flamelet profiles are convoluted with the
assumed-shape PDFs as in Equation 14.4-3, and then tabulated for look-
up in FLUENT. You can set the resolution of the look-up table. The
assumption is made that both the enthalpy loss/gain and the scalar dis-
sipation do not fluctuate. The PDF tables have the following dimensions:
Tmean (fmean , fvar , H ∗ , χ)
Yi,mean (fmean , fvar , H ∗ ) for χ = 0 (i.e., equilibrium solution)
Yi,mean (fmean , fvar , χ) for χ 6= 0
ρmean (fmean , fvar , H ∗ , χ)
During the FLUENT solution, the equations for the mean mixture frac-
tion, mixture fraction variance, and mean enthalpy are solved. The
scalar dissipation field is calculated from the turbulence field and the
mixture fraction variance. The mean values of cell temperature, density,
and species mass fraction are obtained from the PDF look-up table
c Fluent Inc. November 28, 2001 14-125
Modeling Non-Premixed Combustion
prePDF can import one or more flamelet files, convolute these flamelets
with the assumed-shape PDFs (see Equation 14.4-3), and construct look-
up tables for use in FLUENT. The flamelet files can be generated in
prePDF, or with separate, stand-alone computer codes.
Two types of flamelet files can be imported into prePDF: binary files
generated by the OPPDIF code [147], and standard format files described
in Section 14.4.6 and in Peters and Rogg [179].
When flamelets are generated in physical space (such as with OPPDIF),
the species and temperature vary in one spatial dimension. The species
and temperature must then be mapped from physical space to mixture
fraction space. If the diffusion coefficients of all species are equal, a
unique definition of the mixture fraction exists. However, with differen-
tial diffusion, the mixture fraction can be defined in a number of ways.
prePDF provides four methods of computing the mixture fraction profile
along the laminar flamelet:
b − box
f= (14.4-10)
bfuel − box
where
YC YH YO
b=2 + 0.5 − (14.4-11)
Mw,C Mw,H Mw,O
14-126
c Fluent Inc. November 28, 2001
14.4 The Laminar Flamelet Model
weights. box and bfuel are the values of b at the oxidizer and fuel
inlets.
YN − YN,ox
f= (14.4-12)
YN,fuel − YN,ox
• Read from a file (standard format files only): This option is for
flamelets solved in mixture fraction space. If you choose this method,
prePDF will search for the mixture fraction keyword Z, as specified
in [179], and retrieve the data. If prePDF does not find mixture
fraction data in the flamelet file, it will instead use the hydrocarbon
formula method described above.
The flamelet profiles in the multiple-flamelet data set should vary only in
the strain rate imposed; the species and the boundary conditions should
be the same. The formats for multiple flamelets are as follows:
For either type of file, prePDF will determine the number of flamelet pro-
files and sort them in ascending strain-rate order. For flamelets generated
c Fluent Inc. November 28, 2001 14-127
Modeling Non-Premixed Combustion
in physical space, you can select one of the four methods available for the
calculation of mixture fraction. The scalar dissipation will be calculated
from the strain rate using Equation 14.4-2.
Instructions for using prePDF to create PDF tables from generated and
imported flamelets are provided here, along with information about re-
lated files and formats.
To specify the generation of a laminar flamelet library, you will use the
Define Case panel (Figure 14.4.2).
Setup −→Case...
In the Define Case panel, select the Laminar Flamelets option under Chem-
istry models. Then choose Adiabatic or Non-Adiabatic under Heat transfer
options. Finally, select Generate under Flamelet options.
Once you have enabled the flamelet generation option, you can use the
Flamelet Generation panel (Figure 14.4.3) to define the flamelet.
Setup −→Flamelet Generation...
The first step in defining the flamelet is to read the species and reaction
definitions for the chemical system. The species thermodynamic, trans-
port and reaction data must be in CHEMKIN format [112]. Information
about the format of these files is detailed later in this section.
14-128
c Fluent Inc. November 28, 2001
14.4 The Laminar Flamelet Model
c Fluent Inc. November 28, 2001 14-129
Modeling Non-Premixed Combustion
14-130
c Fluent Inc. November 28, 2001
14.4 The Laminar Flamelet Model
To read the chemistry file into prePDF, click on the Chemistry Files...
button in the Flamelet Generation panel. When you click this button, a
Select File dialog box will open, in which you can specify the chemistry file
to be read. Up to 100 species can be included in the flamelet calculation.
If the number of species used in the flamelet calculation is greater than
n, where n is the maximum number of species specified in the Memory
Allocation panel (see Section 14.3.1), prePDF will automatically select
the n species with the largest concentrations for inclusion in the PDF
file.
After the chemistry file has been read, the species it contains will appear
in the Defined Species list in the Flamelet Generation panel (as shown in
Figure 14.4.3).
To define the fuel and oxidizer compositions, you will specify the follow-
ing parameters under Composition in the Flamelet Generation panel:
2. Select a species in the Defined Species list. Select either Mole Frac-
tions or Mass Fractions under Species Composition In... and enter
the desired value in the Species Fraction field.
3. When you are satisfied with your entry, select the next species and
repeat the process until you have set all mole or mass fractions for
the fuel stream.
4. Input the mole or mass fractions for the oxidizer stream by selecting
Oxidiser under Stream and repeating steps 1–3.
You can check the current setting for a species in a particular stream
by selecting the stream and choosing the species name in the Defined
Species list.
c Fluent Inc. November 28, 2001 14-131
Modeling Non-Premixed Combustion
In the Flamelet Generation panel, enter values for the following parame-
ters under Laminar Flamelet Options.
Under Mixture Fraction, set the following parameter:
# Grid Points specifies the number of mixture fraction grid points dis-
tributed between the oxidizer (f = 0) and the fuel (f = 1).
Increased resolution will provide greater accuracy, but since the
flamelet species and temperature are solved coupled and implicit
in f space, the solution time and memory requirements increase
linearly with the number of f grid points. The default value of 32
is enough to resolve the temperature distribution in most cases.
Start (χst in Equation 14.4-2) is the scalar dissipation for the first flamelet
in the library. When only one flamelet is generated, this will be
its selected scalar dissipation. Note that prePDF will generate an
equilibrium flamelet corresponding to χst = 0, so the Start scalar
dissipation should be set at a value near 0; the default value of 1
s−1 is usually sufficient.
End is the scalar dissipation of the last flamelet if more than one lam-
inar flamelet is being generated (i.e., # Grid Points for the Scalar
Dissipation is greater than 1). See below for details.
The maximum scalar dissipation in the flamelet file (End χst ) should be
the scalar dissipation at the extinction limit; i.e., the maximum scalar
14-132
c Fluent Inc. November 28, 2001
14.4 The Laminar Flamelet Model
You can also choose whether or not to use the Differential Diffusion and
Include radiation options. See Section 14.4.4 for details.
After the flamelet parameters have been defined, click Apply in the
Flamelet Generation panel to register the changes. prePDF automatically
calculates an approximate value of the stoichiometric mixture fraction,
c Fluent Inc. November 28, 2001 14-133
Modeling Non-Premixed Combustion
You can specify the flamelet operating pressure and the temperatures of
the inlet streams using the Operating Conditions panel.
Setup −→Operating Conditions...
If you are creating a non-adiabatic flamelet, you will need to input the
Nonadiabatic Flamelet Temperature Limits, as described below:
The default value of 1500 K for Temperature Drop can be used for most
cases involving hydrocarbon combustion. This value can be decreased
14-134
c Fluent Inc. November 28, 2001
14.4 The Laminar Flamelet Model
See Section 14.3.1 for more information about setting operating condi-
tions.
Once you have defined the flamelet, you will next define the PDF table
parameters using the Solution Parameters panel.
Setup −→Solution Parameters...
Under Fuel Mixture Fraction, set the number of Fuel Mixture Fraction
Points and Fuel Mixture Fraction Variance Points. The default Auto-
matic Distribution clustering in the mixture fraction coordinate is rec-
ommended. See Section 14.3.1 for details about these parameters.
For adiabatic multiple-flamelet problems, you will next set the scalar
dissipation parameters in the Flamelet Parameters panel (Figure 14.4.4).
Setup −→Flamelet Parameters...
Under Scalar Dissipation, set the number of Scalar Dissipation Points to
approximately the same number of mixture fraction points in your PDF
table (Fuel Mixture Fraction Points in the Solution Parameters panel). You
can cluster the mean scalar dissipation distribution in the PDF table by
modifying the Distribution Center Point. Finally, if you wish to use the
double delta assumed shape PDF for the scalar dissipation, set the Scalar
Dissipation Variance to a value greater than zero. Please note that the
assumed PDF option for scalar dissipation is available only for adiabatic
multiple-flamelet cases.
c Fluent Inc. November 28, 2001 14-135
Modeling Non-Premixed Combustion
Next you can save an input file containing the flamelet definition and
other specifications, using the File/Write/Input... menu item.
File −→ Write −→Input...
This can be important if you want to revisit your laminar flamelet setup
because this setup is not stored in the PDF file.
To calculate the flamelet data, you will use the Calculate/Flamelet menu
item.
14-136
c Fluent Inc. November 28, 2001
14.4 The Laminar Flamelet Model
Calculate −→Flamelet
prePDF will immediately prompt you for the name of the flamelet file.
The flamelet profiles will be written to this file automatically when the
calculation is complete. The flamelet file will be in the standard file
format, and can be imported or merged with other flamelet files, as
described in later in this section.
After you specify the file name, prePDF will begin the flamelet calcula-
tion, reporting its progress in the text window. Just before the flamelet
calculation, prePDF will write a monitor file called FLAMELET.MON in
your working directory. This file contains the thermodynamic and chem-
istry information, and can be useful for monitoring and troubleshooting
flamelet generation calculations. After the flamelet calculation is com-
plete, prePDF will write the flamelet to disk, and then construct the PDF
file.
If the flamelet calculation does not converge, decrease the Initial CFL (to-
wards zero) and the Multiply factor (towards 1) in the Flamelet Generation
panel, and then recalculate the flamelet data.
When prePDF has completed the PDF calculation, you can save the PDF
file as usual, with the File/Write/PDF... menu item. See Section 14.3.1.
File −→ Write −→PDF...
! You can read the PDF file back into prePDF at a later time for post-
processing. You cannot, however, modify the solution parameters and
recalculate the PDF table unless you also import the original flamelet
file.
Since the PDF table for multiple flamelets is three-dimensional, there are
viewing options for both the instantaneous physical properties and the
PDF integrated physical properties. These options are described below.
When you are satisfied with the PDF file and you have saved it, you can
continue the non-premixed combustion modeling procedure in FLUENT.
The procedures for setting up and solving a flamelet-based model in
c Fluent Inc. November 28, 2001 14-137
Modeling Non-Premixed Combustion
When you are plotting instantaneous values using the Property Curves
panel (Figure 14.4.5), you can plot the specified variable for a constant
value of Dimensionless Scalar Dissipation. (You can also plot the variable
for a constant value of mixture fraction.)
Display −→Property Curves...
You can also plot the distribution of scalar dissipation, using the Dis-
play/Scalar Dissipation menu item.
Display −→Scalar Dissipation
A scalar dissipation distribution plot is shown in Figure 14.4.6.
14-138
c Fluent Inc. November 28, 2001
14.4 The Laminar Flamelet Model
KEY
1.00E+01
8.00E+00
S
c
a
l
a
r
D 6.00E+00
i
s
s
i
p
a
t
i
o 4.00E+00
n
(
1
/
s
)
2.00E+00
0.00E+00
Flamelet Number
Fluent Inc.
c Fluent Inc. November 28, 2001 14-139
Modeling Non-Premixed Combustion
If you specify Slice as the Plot type, you will select which discretized
variable is to be constant (Scalar Dissipation or F-Mean) and then specify
the Slice # (discretization index). For example, the panel shown in
Figure 14.4.7 requests a look-up table generated at the tenth discrete
value of scalar dissipation. To generate the plot (see Figure 14.4.8), click
Display.
Alternately, you may want to define a slice of the 3D look-up table based
on a specific value of one of the independent quantities. When this is the
case, select Value as the Plot type. You can then select a slice of the 3D
table that corresponds to a constant Scalar Dissipation Value or F-Mean
Value, and supply the physical value of the selected quantity in the Value
field.
Next, you can set the Refinement Factor, which determines the resolution
of the plotted curve. A refinement factor of 1.0 (the default) implies that
14-140
c Fluent Inc. November 28, 2001
14.4 The Laminar Flamelet Model
1.8E+03
1.5E+03
T
E
M
P 1.2E+03
E 2.50E-01
R
A
T 2.00E-01
U
R 8.8E+02
E 1.50E-01
K SCALED-F-VARIANCE
1.00E-01
5.9E+02
5.00E-02
3.0E+02 0.00E+00
F-MEAN
the plot will use the same number of discrete points that you requested
in the Solution Parameters panel. Increasing this factor will cause prePDF
to compute and display additional data points, yielding a smoother plot
but requiring some time to compute.
Finally, click the Lookup button to access the data to be plotted and
then click Display to display the plot.
c Fluent Inc. November 28, 2001 14-141
Modeling Non-Premixed Combustion
The procedure for importing flamelets is very similar to the flamelet gen-
eration procedure described above, except that the flamelet generation
step is skipped.
14-142
c Fluent Inc. November 28, 2001
14.4 The Laminar Flamelet Model
In the Define Case panel (Figure 14.4.2), select the Laminar Flamelets
option under Chemistry models. Then choose Adiabatic or Non-Adiabatic
under Heat transfer options. Finally, select Import under Flamelet Options.
Setup −→Case...
Once you have enabled flamelet import, you will next define the flamelet
model parameters and solution parameters.
! The parameters for the flamelet model and the solution process must
be defined before you import the flamelet file, because prePDF performs
the mixture-fraction calculations and generates the PDF look-up table
automatically after it reads the data from the flamelet file.
You will next set the resolution of the mixture fraction mean and variance
in the Solution Parameters panel, as described in Step 3 on page 14-135.
Setup −→Solution Parameters...
c Fluent Inc. November 28, 2001 14-143
Modeling Non-Premixed Combustion
14-144
c Fluent Inc. November 28, 2001
14.4 The Laminar Flamelet Model
After setting the parameters, you can import the flamelet file. For
OPPDIF flamelet files, use the File/Import/Oppdif Flamelets... menu
item:
File −→ Import −→Oppdif Flamelets...
For standard format flamelet files, use the File/Import/Standard Flame-
lets... menu item:
File −→ Import −→Standard Flamelets...
After you specify the name of a standard format file to be imported,
prePDF will ask you if the file was written for mixture fraction values in
ascending (starting from the oxidizer inlet), or descending (starting from
the fuel inlet) order. By default, it will assume descending order.
After reading the flamelet file, prePDF will report the species data and
then integrate with the β PDF to generate the PDF look-up table.
If the number of species in the flamelet file is larger than the species
limit in prePDF, the species with the lowest mass fractions are filtered
out. The temperature curves are then constructed and the enthalpy
domain is discretized. After this, the PDF integrations are performed.
Note that this process may take some time, as four-dimensional tables
are being generated.
c Fluent Inc. November 28, 2001 14-145
Modeling Non-Premixed Combustion
When prePDF has completed the PDF calculation, you can save the PDF
file as usual, with the File/Write/PDF... menu item. See Section 14.3.1
for details.
File −→ Write −→PDF...
! You can read the PDF file back into prePDF at a later time for post-
processing. You cannot, however, modify the solution parameters and
recalculate the PDF table unless you also import the original flamelet
file.
Postprocessing for the PDF look-up table data is the same as for the
PDF table data resulting from flamelet generation (see Step 6 on page
14-137).
If you have a number of single-flamelet files, you can use prePDF to merge
them and write out a single file containing the multiple flamelets. You
can then read this file back into prePDF.
To perform the merging, you will use the MERGE-FLAMELETS text com-
mand.
FLAMELET-MODEL −→MERGE-FLAMELETS
First, you will specify a name for the merged file and the number of
single flamelet files. Then you will specify the name of each of the single
flamelet files. After all names are entered, prePDF will merge the flamelet
data and write out the merged file.
! If your flamelet files have lowercase names, be sure to enclose the file
names in quotation marks.
If you have a number of single-flamelet files in the standard format, you
will need to merge them outside of prePDF, using your text editor or the
UNIX cat command.
14-146
c Fluent Inc. November 28, 2001
14.4 The Laminar Flamelet Model
The data structure for the standard flamelet file format is based on
keywords that precede each data section. If any of the keywords in your
flamelet data file do not match the supported keywords, you will have to
manually edit the file and change the keywords to one of the supported
types. (The prePDF flamelet filter is case-insensitive, so you need not
worry about capitalization within the keywords.)
The following keywords are supported by the prePDF filter:
c Fluent Inc. November 28, 2001 14-147
Modeling Non-Premixed Combustion
• Pressure: PRESSURE
• Mixture fraction: Z
Sample File
HEADER
STRAINRATE 100.
NUMOFSPECIES 12
GRIDPOINTS 39
PRESSURE 1.
BODY
Z
0.0000E+00 4.3000E-07 2.1780E-06 1.2651E-05 7.8456E-05
2.1876E-04 5.9030E-04 9.4701E-04 1.4700E-03 1.8061E-03
2.1967E-03 2.6424E-03 3.1435E-03 4.3038E-03 5.6637E-03
8.9401E-03 1.2800E-02 1.7114E-02 2.1698E-02 2.6304E-02
2.8522E-02 3.0647E-02 3.2680E-02 3.4655E-02 4.2784E-02
5.2655E-02 6.5420E-02 8.2531E-02 1.0637E-01 1.4122E-01
1.9518E-01 2.8473E-01 4.4175E-01 6.6643E-01 8.6222E-01
9.5897E-01 9.9025E-01 9.9819E-01 1.0000E+00
TEMPERATURE
3.0000E+02 3.0013E+02 3.0085E+02 3.0475E+02 3.2382E+02
3.5644E+02 4.3055E+02 4.9469E+02 5.8260E+02 6.3634E+02
6.9655E+02 7.6268E+02 8.3393E+02 9.8775E+02 1.1493E+03
1.4702E+03 1.7516E+03 1.9767E+03 2.1403E+03 2.2444E+03
2.2766E+03 2.2962E+03 2.3044E+03 2.3027E+03 2.2164E+03
14-148
c Fluent Inc. November 28, 2001
14.4 The Laminar Flamelet Model
Missing Species
prePDF will check whether all species in the flamelet data file exist in
the thermodynamic properties databases THERMO.DB and thermodb.scm.
If any of the species in the flamelet file do not exist, prePDF will issue
an error message and halt the calculation. If this occurs, you can either
add the missing species to the databases (as described in Section 14.5),
or remove the species from the flamelet file.
You should not remove a species from the flamelet data file unless its
species concentration is very small (10−3 or less) throughout the flamelet
profile. If you remove a low-concentration species, you will not have the
species concentrations available for viewing in the FLUENT calculation,
but the accuracy of the FLUENT calculation will otherwise be unaffected.
c Fluent Inc. November 28, 2001 14-149
Modeling Non-Premixed Combustion
! If you choose to remove any species, be sure to also update the number
of species (keyword NUMOFSPECIES) in the flamelet data file, to reflect
the loss of any species you have removed from the file.
If a species with relatively large concentration is missing from the prePDF
thermodynamic databases, you will have to add it (as described in Sec-
tion 14.5). Removing a high-concentration species from the flamelet file
is not recommended.
The flamelet files are written in either ascending (starting from the ox-
idizer inlet, where f = 0), or descending (starting from the fuel inlet,
where f = 1) mixture fraction values. When you import the file, prePDF
will ask you to specify the order in which the file has been written.
Chemistry Files
⇓
path/Fluent.Inc/prepdf4.x/db/
where path is the directory where you have installed your Fluent Inc.
software and the variable x corresponds to your release version, e.g., 0
for prePDF 4.0.
Up to 100 species can be included in the flamelet calculation. If the
number of species used in the flamelet calculation is greater than n,
where n is the maximum number of species specified in the Memory
Allocation panel (see Section 14.3.1), prePDF will automatically select
the n species with the largest concentration for inclusion in the PDF
file.
14-150
c Fluent Inc. November 28, 2001
14.4 The Laminar Flamelet Model
Short descriptions of and references for the available chemistry files are
presented below. The files are named by the main fuel or mechanism
name and the number of reactions, and end with the extension .che.
c Fluent Inc. November 28, 2001 14-151
Modeling Non-Premixed Combustion
1. Calculate the PDF look-up table in prePDF with the new species
and the new THERMO.DB database file.
14-152
c Fluent Inc. November 28, 2001
14.5 Adding New Species to the prePDF Database
c Fluent Inc. November 28, 2001 14-153
Modeling Non-Premixed Combustion
14-154
c Fluent Inc. November 28, 2001