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337349 (2007)
1. INTRODUCTION
Combustion theory is one of the most elegant areas
of classical phenomenology, presenting a wide
range of natural phenomena that can be deduced
from a few fundamental principles (Buckmaster
et al., 2005). In combustion there is a strong
coupling among transport (heat transfer, molecular
diffusion, convection, turbulent transport) and
chemistry and hence is a multidisciplinary topic of
research. Moreover, combustion models may turn
very complex: the reaction mechanism of iso-octane
oxidation includes 3600 elementary reactions
among 860 chemical species, with 9 of 25 reaction
classes sufficient to simulate many applications at
high temperature (Curran et al., 2002). The
mechanism of methane combustion has been
identified as having more than 300 elementary
reactions and over 30 species (Liu et al., 2003). For
fuel jet A (80% n-decane and 20% 1,2,4-rrimethylbenzene), the chemical mechanism contains
approximately 1000 elementary reactions among
100 chemical species (Mahesh et al., 2006).
However, it is hard to believe that all these species
and elementary reactions are necessary to obtain a
reasonable approximation of the flow inside a
burner (Peters and Rogg, 1992). In this way,
simplified mechanisms are usually adopted to
describe the combustion process (Apte and Yang,
Received: 7 May 2007; Revised: 11 Jul. 2007; Accepted: 13 Jul. 2007
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Fig. 1
2. MODEL FORMULATION
Usually for piloted methane jet flames, the Mach
number is low, the pressure remains almost constant
and the heat losses to the walls are small (Peters,
2000; Poinsot and Veynante, 2005). These allow
some model simplifications.
The flamelet concept, which covers a regime in
turbulent combustion where chemistry is fast, can
be employed in most practical situations, such as
the nonpremixed combustion when the flame is
almost in equilibrium. Flamelets are thin reactivediffusive layers embedded within an otherwise
nonreacting flow field (Peters, 2000).
The stationary flamelet model Yi /t = 0 , with Yi
being the mass fraction, has the advantage that
flamelet profiles can be pre-computed and stored in
a database called flamelet library containing all
the required complex chemistry. The stationary
laminar flamelet model has been applied to
engineering calculations because of its simplicity.
Such assumption indicates that the value of the
scalar dissipation rate varies slowly; it is valid in a
jet flame till x~30D, where x is the axial coordinate
and D the jet diameter.
The unsteady flamelet calculations can be
performed using a separate code to solve the system
of parabolic equations for mass fractions interacting
with a CFD code. The main advantage of the
flamelet concept is the fact that chemical time and
length scales need not be resolved in a
multidimensional CFD code (Peters, 1998).
The mixture fraction is an important quantity in the
theory of nonpremixed combustion since it is a
conserved scalar (Peters, 2000). We write the global
reaction equation for complete combustion of a
hydrocarbon fuel as
Burner sketch.
(1)
YF,u = YF,1 Z
YO2 ,u
~~
( u~i ) ( ui u j )
1 p
+
= 2
+
x
xj
t
x j
M
i
.
y
Y (Z,
i
st )P (Z, st ; x,t)d st dZ
~ ij
ij +
R
e x j
Mixture fraction
~
~
~ ~
( Z) ( u j Z)
T Z
+
=
t
x j
x j Sc x j
(2)
(3)
( Z " 2 ) ( u j Z " )
=
+
x j
x j
t
T Z~" 2
S c x j
+ 2 DT ( Z~)2 ~
(4)
y
Enthalpy
~
~~
( h ) ( u j h )
+
=
t
x j
x j
y
T h~
Pr x j
(5)
Yi
a 2Yi
= DaYF YO e 1 ( 1 )
2
t
2 Le Z
(6)
~
~
Yi (x j ,t) = Yi (Z,t)P(Z; x j ,t)dZ
(7)
~
h=
0 0
Y~h (T)
~
i i
(8)
i =1
Momentum/Navier-Stokes
p
, 0.05 < < 0.8
~
/ (1 )T + 1
Governing equations
~
~2
Z "2 = C Z 2 Z , can also be used to determine
and
T Tu
=
Tb Tu
(Steiner
and
Z
=
+
,
=
+
x1 x1 Z
t t Z
Z
=
+
xk Z k xk Z
eliminates
the
and
convective
xi
x
i
xi
(ui u j ij
x j
( bi ) 2
+ 2 (9)
) +
xi
t
Solution procedures
(10)
xi
p n +1 2 (ui )** 2
=
x t
xi
i
(11)
t
xi
(12)
~
~
~
~
p Yi h Z Z "2
u~i =
=
=
=
=
=
=0
n n n n n
n
(parabolic), YF = 1, YO2 = 0, h = C PT
and the
+ uc
=0
~ ~
~~ ~
~ Z Z "2 h Y T ]T and
with p = 1 , where = [ u~ v~ w
i
inflow
fuel jet
outflow
hot pilot
coflow
solid wall
Fig. 2
Boundary conditions.
2.2.4
Stiffness
yi ~ (yi +1 2 yi + yi 1)/h 2
yi ~ (yi +1 yi 1)/ 2h
y
work per step, but can have larger steps, such as the
implicit methods; an alternative is the Gauss-Seidel
with some relaxation.
The exponential source term, of the Arrhenius type
approximation e-Z/T, depends strongly on the
temperature, which in combustion varies
considerably. Such variation must be transferred to
the density, which affects the stability of the
numerical code. Therefore, some relaxation have to
be employed in the density evaluation. Besides, the
dynamic pressure variations are very small and yet,
important and need to be correctly evaluated.
Decreasing reaction exponents, as often done in
many reduced schemes, leads to increased stiffness.
In the reaction rate expression the exponential term
e Ta /T can be replaced by e / e (1 ) /[1 (1 )] ,
where = (T2 T1 ) / T2 ~ 0.75 and = Ta / T2 ~ 8
(Poinsot and Veynante, 2005).
fuel jet
coflow
3. NUMERICAL RESULTS
L/100
Fig. 4
Fig. 3
Comparison of the mean mixture fraction and its variance (left) and the velocity (right) profiles along the duct
centerline for a turbulent, nonpremixed, nonreacting propane-jet flow with experimental data from Schefer and
with the theoretical solution for a turbulent jet diffusion flame (Peters, 2000).
342
Fig. 5
Comparison of the mean radial velocity profiles for x/D = 15 and 30 for a turbulent, nonpremixed, nonreacting
propane-jet flow with experimental data from Schefer and with the theoretical solution for a turbulent jet diffusion
flame (Peters, 1992 & 2000).
D d
fuel jet
hot pilot
coflow
L/100
Fig. 6
Fig. 7
Comparison of the mixture fraction profiles for Sandia flames C (left) and D (right) along the burner centerline
with experimental data (Barlow and Frank, 2003; Schneider et al., 2003).
Fig. 8
Comparison of the temperature profiles for Sandia flames C (left) and D (right) along the burner centerline with
experimental data (Barlow and Frank, 2003; Schneider et al., 2003).
Fig. 9
Comparison of the mass fraction CH4 for Sandia flames C (left) and D (right) along the burner centerline with
experimental data (Barlow and Frank, 2003; Schneider et al., 2003).
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Fig. 10 Comparison of the O2 and CO2 mass fraction along the burner centerline for flame D with experimental data
(Barlow and Frank, 2003).
Fig. 11 Comparison of the velocity profiles at x/D=15 and 45 for flame D with experimental data (Barlow and Frank,
2003).
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4. CONCLUSIONS
REFERENCES
ACKNOWLEDGEMENTS
This research started at ITV/RWTH-Aachen under
the sponsorship of CAPES - Coordenao de
Aperfeioamento de Pessoal de Nvel Superior MCT/Brasil under process 0272/06-0 and continues
under the sponsorship of CNPq - Conselho
Nacional de Desenvolvimento Cientfico e
Tecnolgico under process 304600/2006-7. The
author gratefully acknowledges the financial
support from CAPES and CNPq and the
opportunity to stay at the Institute fr Technische
Verbrennung-RWTH/Aachen, Germany, from
August/2006 to February/2007.
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