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Detailed Flame Model

IIT Kanpur

Detailed chemical kinetic mechanism


(elementary reactions)

Not assuming temperature profile

Solve using computer

Mass conservation:

=0

1-D
Steady state
Neglect KE and PE terms
Pressure is constant

Detailed Flame Model (Formulation)

IIT Kanpur

Species conservation

bulk flow

( )

diffusion

constant (mass conservation)

velocity of individual species


relative to bulk velocity
for constant diffusivity

,
,

diffusional
velocity
=
=

species
velocity

bulk

velocity

For: 1, 2, , N species

( )

Detailed Flame Model (Formulation)


0, no shaft work

IIT Kanpur

Energy conservation

constant

) +

=0

0, KE & PE
neglected

)=0

heat
flux

0, no heat loss
0, KE & PE

neglected

Tx Tx+x

both conduction and additional enthalpy flux from diffusing species


=
+ ,

heat conduction species diffusion


flux contribution contribution
,
=
=

constant

IIT Kanpur

Detailed Flame Model (Formulation)


=

substitute in energy equation:

=0

=
=

,
,
,

=
=

=0

=0

(species conservation)

Detailed Flame Model (Formulation)

IIT Kanpur

+
+

constant (mass conservation)

=
=

Momentum conservation not required as


pressure is assumed constant:

IIT Kanpur

Diffusion

ordinary diffusion due to


concentration gradient

,
,

thermal diffusion due to


temperature gradient

ordinary diffusion thermal diffusion


velocity
velocity

Multicomponent diffusion
,

mol fraction
of species i

gradient of
species j
multicomponent
diffusion coefficient
not same as binary
diffusion coefficient

Diffusion
=

IIT Kanpur
matrix

number of species
=

binary diffusion
coefficient

Thermal diffusion
thermal diffusion
coefficient
,

mass fraction
of species i

Boundary Conditions

IIT Kanpur

Upstream: T(x -) = Tu and Yi(x -) = Yi,u


Downstream: dT/dx (x +) = 0 and dYi/dx (x +) = 0

is not known a priori and is part of the solution ( uVu = uSL)

The domain: - < x < + is actually only ~cms


Explicitly fix the coordinate system to move with the flame: T(x 1) = T1

Detailed Flame Model

IIT Kanpur

Ideal-gas equation of state


Relations for diffusion velocities (vi,diff)
Temperature dependent species properties: hi(T), cp,i(T), ki(T) & DBij(T)
Detailed chemical kinetic mechanism to obtain the
Interconversion relations for Xis, Yis and [Ci]s

Assumption: no radiation, no KE and PE terms, constant pressure

10

Methane-Air ( = 1)
IIT Kanpur

Results

11

IIT Kanpur

Results
Methane-Air ( = 1)