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[ ]
[ ] [ ] B A k
dt
A d
biomoleec
=
Advanced Advanced
Combustion Combustion
Chemical kinetics
Bimolecular Reactions and Collision Theory
If we assume maxwellianvelocity distribution for all molecules:
The analysis can be extended to collisions between unlike molecules having
diameter and
Which expresses the frequency of collisions of a single A molecules with all B
molecules
A
Advanced Advanced
Combustion Combustion
Chemical kinetics
Bimolecular Reactions and Collision Theory
For collisions frequency associated with all A and B molecules:
Which can be expressed in terms of temperatureas:
Where
Advanced Advanced
Combustion Combustion
Chemical kinetics
Bimolecular Reactions and Collision Theory
For collisions frequency associated with all A and B molecules:
or
Where
(4.15b) (4.15b)
Advanced Advanced
Combustion Combustion
Chemical kinetics
Bimolecular Reactions and Collision Theory
The probability that a collision leads to a reaction can be expressed as a product of
two factors:
An energy factor, , which expressed the fraction of collision that
occur with an energy above the threshold level necessary for reaction,
activation energy
Stericfactor: p, takes into account the geometry of collisions between A andB.
for example in the reaction of OH an H to form H2O, intuitively one expect a
reaction to be more likely if the H strikes the O side of hydroxyl rather than the
H side
In general, stericfactors are much less than unity; how over there are expressions
[ ] T R E
u A
/ exp
A
E
Advanced Advanced
Combustion Combustion
Chemical kinetics
Bimolecular Reactions and Collision Theory
Thus the equation 4.15b becomes
compare with
The bimolecular rate coefficient based on collision theory is:
[ ]
[ ] [ ] B A k
dt
A d
bimoleec
=
Advanced Advanced
Combustion Combustion
Chemical kinetics
Bimolecular Reactions and Collision Theory
If the temperature range of interest is not too great, the bimolecular rate coefficient
can be expressed by the empirical Arrhenius form
Where A is a constant termed the pre-exponential factor or frequently factor
A is not constant and strictly depends (based on collision theory) on T
1/2
. the three
parameter function form:
[ ] T R E A T k
u A
/ exp ) ( =
[ ] T R E T A T k
u A
b
/ exp ) ( =
Chemical kinetics
Other Elementary Reactions
unimolecular reactions involve a single species undergoing a rearrangement to
form one or two product species
Isomerization
decomposition
Unimolecular reactions are first order at high pressure
While at high pressure the reaction rate also depends on the concentration of any
molecules, M
Advanced Advanced
Combustion Combustion
[ ]
[ ] [ ] M A k
dt
A d
=
C B A +
B A
O O O +
2
H H H +
2
[ ]
[ ] A k
dt
A d
uni
=
Chemical kinetics
Other Elementary Reactions
Termolecular reactions involve three reactant species and correspond to the
reverse of unimolecular reaction at low pressure
Recombination reactions are important example of termolecular reactions such as
Termolecular reactions are third order and their rates can be expressed
Where again M may be any molecule and is frequently referred to as a third body
Advanced Advanced
Combustion Combustion
[ ]
[ ][ ][ ] M B A k
dt
A d
ter
=
M C M B A + + +
M H M H H + + +
2
M O H M OH H + + +
2
Chemical kinetics
Rates of Reaction for Multi-Step Mechanism
Net Production Rates
knowing how to express the rates of elementary reactions, we can now
mathematically express the net rates of production or destruction for any species
Consider H
2
-O
2
reaction mechanism which include both forward and reverse
reactions
Where k
fi
and k
ri
are the elementary forward and reverse rate coefficients
respectively for the ithspecies
Advanced Advanced
Combustion Combustion
Chemical kinetics
Net Production Rates
The net rate of production of O
2
for example is the sum of all of individual
elementary rates producing O
2
minus the sum of all of the rates destroying O
2
and for H atoms
Advanced Advanced
Combustion Combustion
Chemical kinetics
Net Production Rates
We can write similar expressions for each species, yield a system of first order
ordinary differential equations
Compact notation
For the mechanism with many elementary steps and many species
Advanced Advanced
Combustion Combustion
Chemical kinetics
Relation between Rate Coefficient and Equilibrium Constants
Consider both forward and reverse rates for the arbitrary bimolecular reaction
For species A we can write
For the equilibrium condition, A+B=C+D, the time rate of change of [A] must be
zero
By rearranging
Advanced Advanced
Combustion Combustion
Chemical kinetics
Relation between Rate Coefficient and Equilibrium Constants
The molar concentration relates to the mole fractions and partial pressurees
We can define equilibrium constant based on molar concentrations, K
c
Advanced Advanced
Combustion Combustion
Chemical kinetics
Relation between Rate Coefficient and Equilibrium Constants
where
Advanced Advanced
Combustion Combustion
Chemical kinetics
Steady State Approximation
In many combustion systems highly reactive intermediate species (radicals) are
formed.
Analyses of such systems can be simplified by applying steady state
approximation.
A good example of this is the Zeldovichmechanism for formation of nitric oxide:
The first reaction is slow while the second is extremely fast
After a rapid transient allowing the build up of N atoms
Advanced Advanced
Combustion Combustion
Chemical kinetics
or
[N]
ss
may change as it rapidly adjusts
Advanced Advanced
Combustion Combustion
Chemical kinetics
Chain and chain-branching reactions
Chain reactions involve the production of a radical species that subsequently
reacts to produce another radical.
This sequence of events continues until a reaction involving theformation of a
stable species from two radicals breaks of the chain
Chain reaction can occur in many chemical processes of importance to
combustion
Consider the following global reaction
Advanced Advanced
Combustion Combustion
AB B A 2
2 2
+
Chemical kinetics
Chain and chain-branching reaction
Advanced Advanced
Combustion Combustion
Chemical kinetics
Chain and chain-branching reactions
In the early stages of reaction the reverse reactions can be neglected :
Steady-state approximation for radicals A and B:
Solving these two equation for [A]:
Advanced Advanced
Combustion Combustion
Chemical kinetics
Chain and chain-branching reactions
A similarly complicated expression results for [B]
Knowing the steady state values for [A] and [B] the initial reaction rates of
d[A
2
]/dt, d[B
2
]/dt and d[AB]/dt can be determined:
These equations van be simplified by recognizing that k
1
k
4
[M]
2
/(2k
2
k
3
[B])<<1
The rate coefficients k
2
and k
3
must be much larger than k
1
and k
4
.
Advanced Advanced
Combustion Combustion
Chemical kinetics
Using a truncated Taylor series:
Knowing the steady state values for [A] and [B] the initial reaction rates of
d[A
2
]/dt, d[B
2
]/dt and d[AB]/dt can be determined:
Advanced Advanced
Combustion Combustion
Chemical kinetics
Chemical Time Scales
AIM: estimation of characteristic chemical time scales for elementary reactions
Substitute [A]
Bimolecular reactions
Consider the bimolecular reaction
And its rate
Time history of [A]
Characteristic chemical time, :
The time required for concentration of A to fall from its initial value to a value
equal to 1/e times the initial value
Advanced Advanced
Combustion Combustion
D C B A + +
[ ]
[ ] [ ] B A k
dt
A d
bimoleec
=
chem
Chemical kinetics
Chemical Time Scales
Advanced Advanced
Combustion Combustion
( )
chem app
k e = exp / 1
app chem
k / 1 =
Chemical kinetics
Chemical Time Scale for Termoulecular Reactions
Advanced Advanced
Combustion Combustion
Consider the simple termolecular reaction
k
ter
[M] plays the same role as k
bio
[M]:
The characteristic time for termolecular reaction:
And when [B]
0
>>[A]
0
M C M B A + + +
Chemical kinetics
Partial Equilibrium
Combustion processes:
1. Fast reactions:
fast in both forward and reverse reactions
Chain propagating or chain-branching steps
2. Slow reactions
Termolecular recombination reactions
Partial Equilibrium approximation: fast reaction are equilibrated
This approximation simplifies the chemical kinetics by eliminating the need
to write rate equations for radical species
Advanced Advanced
Combustion Combustion
Chemical kinetics
Partial Equilibrium
Assume that forward and reverse reaction in each pair are equal:
Advanced Advanced
Combustion Combustion
Chemical kinetics
Partial Equilibrium
Equilibrium constants
Radical species, A, B and AB can be expressed in terms of stablespecies A
2
, B
2
and A
2
B
Advanced Advanced
Combustion Combustion
Chemical kinetics
Advanced Advanced
Combustion Combustion
Home works of chapter 4
Problems (5,8,18 and 20)
Partial Equilibrium
Product formation rate can be calculated by knowing the radical concentration
Some Important Chemical Mechanism
Introduction
Elementary steps involved in a number of chemical mechanism of major
importance to combustion and combustion generated air pollution
Our purpose is simply to illustrate real systems, which are generally complex
It is important to point out that complex mechanism are evolutionary products
of chemists thoughts
Fundamentals of chemical reactions are important to understanding such
systems
Advanced Advanced
Combustion Combustion
Some Important Chemical Mechanism
The H
2
-O
2
system
The hydrogen-oxygen system is important such as in rocket propulsion
The oxidation of hydrogen as follows:
The initiation reactions:
Chain-reaction steps (O, H and OH)
Advanced Advanced
Combustion Combustion
Some Important Chemical Mechanism
The H
2
-O
2
system
Chain terminating steps
Include reactions involving HO
2
Reverse reactions
Advanced Advanced
Combustion Combustion
Some Important Chemical Mechanism
The H
2
-O
2
system
Hydrogen peroxide formation
and hydrogen peroxide reactions
Depending upon the temperature, pressure and extent of reaction the reverse
reactions may be important.
The H
2
O
2
system contains as many as 40 reactants with eight species:
H
2
, O
2
, H
2
O, OH, O, H, HO
2
, and H
2
O
2
Advanced Advanced
Combustion Combustion
Some Important Chemical Mechanism
Carbon Monoxide Oxidation
The oxidation of carbon monoxide is important in hydrocarbon combustion.
In general hydrocarbon combustion can be considered in two steps
Break down the fuel into carbon monoxide
Oxidation of carbon monoxide to carbon dioxide
Steps describe oxidation of CO
Advanced Advanced
Combustion Combustion
Some Important Chemical Mechanism
Oxidation of Higher Paraffins
Olefin: C
n
H
2n
Advanced Advanced
Combustion Combustion
Some Important Chemical Mechanism
Oxidation of Higher Paraffins
Advanced Advanced
Combustion Combustion
Some Important Chemical Mechanism
Oxidation of Higher Paraffins
Three processes in eight steps
Step 1. A carbon-carbon (C-C) bonds is broken
Step 2. The two hydrocarbon radicals break down and create olefins
Step 3. Developments of radicals
Step 4. New fuel-molecule attack pathways open up
Advanced Advanced
Combustion Combustion
Some Important Chemical Mechanism
Oxidation of Higher Paraffins
Three processes in eight steps
Step 5. hydrocarbon radicals again decay into olefin and H atoms
Step 6. The oxidization of olefins created in steps 2 and 5
Step 8. Oxidization
The carbon monoxide oxidize via CO mechanism CO.1-CO.7)
Advanced Advanced
Combustion Combustion
Some Important Chemical Mechanism
Global and Quasi-Global Mechanism
Global Models
Researchers present and evaluate one-step, two step and multi step global
kinetics for a wide variety of hydrocarbons.
Global models, dont capture the details of hydrocarbon oxidation.
They may however be useful for engineering approximations.
The following single-step expression is suggested for engineering
approximations
Advanced Advanced
Combustion Combustion
Some Important Chemical Mechanism
Global and Quasi-Global Mechanism
Advanced Advanced
Combustion Combustion
Some Important Chemical Mechanism
Global and Quasi-Global Mechanism
Quasi Global Models
An example of a multi-step, quasi global mechanism is the four step scheme of
Hautmanet al.
Where the reaction rates are:
Advanced Advanced
Combustion Combustion
Some Important Chemical Mechanism
Global and Quasi-Global Mechanism
Quasi Global Models
Advanced Advanced
Combustion Combustion
Some Important Chemical Mechanism
Methane Combustion
Because of its unique tetrahedral molecular structure with largeC-H bond energies,
methane exhibit some unique combustion characteristics: (High ignition
temperature and low flame speed)
Methane chemical kinetics are perhaps the most widely researched with different
elementary steps and various species
Complex mechanism
Low-temperature reaction pathway analysis
High-temperature pathway analysis
Advanced Advanced
Combustion Combustion
Some Important Chemical Mechanism
Methane Combustion
Complex mechanism
Less than 15 elementary steps with 12 species
75 elementary steps with 25 species
277 elementary reactions involving 49 species
Advanced Advanced
Combustion Combustion
Some Important Chemical Mechanism
Methane Combustion
Low-temperature reaction pathway analysis (T=1345 K, P=1 atm, t=0.1s )
Advanced Advanced
Combustion Combustion
Some Important Chemical Mechanism
Methane Combustion
High-temperature reaction pathway analysis (T=2200 K, P=1 atm, t=0.1s )
Advanced Advanced
Combustion Combustion
Some Important Chemical Mechanism
Oxides of Nitrogen Formation
Nitrogen oxide is an important minor species in combustion because of its
contribution to air pollution.
In the combustion of flues that contain no nitrogen, nitric oxide is formed by three
chemical mechanism that involves nitrogen from the air
Thermal or Zeldovichmechanism
Fenimoreor prompt mechanism
N
2
O-intermediate mechanism
Advanced Advanced
Combustion Combustion
Some Important Chemical Mechanism
Thermal or Zeldovich mechanism
The thermal mechanism is dominant in high temperature combustionover the wide
range of equivalence ratio .
The NO concentration are much less than their equilibrium values: the reverse
reaction rate can be neglected
Advanced Advanced
Combustion Combustion
Some Important Chemical Mechanism
Fenimore or prompt mechanism
The Fenimore mechanism is important in rich combustion. dominant in high
temperature combustion over the wide range of equivalence ratio .
Advanced Advanced
Combustion Combustion
Some Important Chemical Mechanism
N
2
O-intermediate mechanism
N
2
O-intermediate mechanism plays important role in very lean low temperature
combustion
Solve problem (5-8,13)
Advanced Advanced
Combustion Combustion
Simplified Conservation Equation for Reacting Flows
Introduction
It is important to present the physics and chemistry of combustion as simple as
possible
The details of multi-component reacting mixtures are both physically and
mathematically complex
Simplified governing equations (conservation of mass, species, momentum and
energy) can be useful in some situations:
Advanced Advanced
Combustion Combustion
Simplified Conservation Equation for Reacting Flows
Advanced Advanced
Combustion Combustion
Introduction
Simplified Conservation Equation for Reacting Flows
Overall Mass Conservation
Consider a one dimensional control volume:
Advanced Advanced
Combustion Combustion
Simplified Conservation Equation for Reacting Flows
Overall Mass Conservation
In the general form for a fixed point:
Advanced Advanced
Combustion Combustion
Simplified Conservation Equation for Reacting Flows
Overall Mass Conservation
Steady flow for spherical system:
Which is equivalent to:
Advanced Advanced
Combustion Combustion
Simplified Conservation Equation for Reacting Flows
Overall Mass Conservation
for axisymmetric system the continuity equation
yields to:
Advanced Advanced
Combustion Combustion
Simplified Conservation Equation for Reacting Flows
Species Mass Conservation
for one dimensional steady flow
A more general one dimensional form
For mass conservation of ith species:
Advanced Advanced
Combustion Combustion
Simplified Conservation Equation for Reacting Flows
Species Mass Conservation
v
i
is the species velocity
The sum of all individual species mass fluxes is the mixture mass flux:
The mass average velocity V is ( ):
V is referred to as the mass average bulk velocity.
The difference between the species velocity and bulk velocity is defined as the
diffusional velocity
Advanced Advanced
Combustion Combustion
V v v
i diff i
=
,
Simplified Conservation Equation for Reacting Flows
Species Mass Conservation
The diffusional mass flux can be expressed in terms of diffusional velocity
As discussed in chapter 3:
or in terms of velocities
General species conservation equation:
Advanced Advanced
Combustion Combustion
Simplified Conservation Equation for Reacting Flows
Species Mass Conservation
For the spherical system with binary diffusion
For axisymmetric geometry
Advanced Advanced
Combustion Combustion
Simplified Conservation Equation for Reacting Flows
Momentum Conservation
One dimensional
For 1-D systems with neglect both viscous and the gravitational body force
Advanced Advanced
Combustion Combustion
Simplified Conservation Equation for Reacting Flows
Momentum Conservation
One dimensional
Dividing the left and right hand sides of equation by
Expressing the mass flux in terms of the velocity
For 1-D laminar premixed flame and droplet combustion, it is assumed that kinetic
energy change across the flame is small
The momentum equation simplifies to
Advanced Advanced
Combustion Combustion
x
dx
dv
m
dx
dP
x
= &
dx
dv
v
dx
dP
x
x
=
( )
0
2
=
dx
dv
v
dx
v d
x
x
x
0 =
dx
dP
Simplified Conservation Equation for Reacting Flows
Momentum Conservation
Two-Dimensional Forms
Advanced Advanced
Combustion Combustion
Simplified Conservation Equation for Reacting Flows
Momentum Conservation
Two-Dimensional Forms
Applying the principle of momentum conservation
Dividing each term by
and for the y-direction
Where for Newtonian fluid
Advanced Advanced
Combustion Combustion
y x
( )
=
ij
i
j
j
i
ij
V
x
v
x
v
.
3
2
Simplified Conservation Equation for Reacting Flows
Momentum Conservation
Two-Dimensional Forms
The corresponding equations for the axisymmetric flow in cylindrical coordinate:
Where for Newtonian fluid
Advanced Advanced
Combustion Combustion
( )
=
ij
i
j
j
i
ij
V
x
v
x
v
.
3
2
( )
=
x
v
rv
r r
V
x
r
1
.
Simplified Conservation Equation for Reacting Flows
Momentum Conservation
J et flame (Boundary layer approximation)
The axisymmetric flow momentum equations can be applied for jet flames.
J ets have characteristics very similar to boundary layer
J et width is typically small in comparison to its length
Velocities changes (gradient) in radial direction are more axial direction
Axial velocities is much larger than radial velocities
Advanced Advanced
Combustion Combustion
) (
(*)
) (
(*)
x r
>>
r x
v v >>
Simplified Conservation Equation for Reacting Flows
Momentum Conservation
J et flame (Boundary layer approximation)
Dimensional analysis
Simplified axial momentum equation
Simplified radial momentum equation
Advanced Advanced
Combustion Combustion
0
r
p
dx
dp
x
p
Simplified Conservation Equation for Reacting Flows
Energy Conservation
General one dimensional form
First law of thermodynamic
Advanced Advanced
Combustion Combustion
Simplified Conservation Equation for Reacting Flows
Energy Conservation
General one dimensional form
Dividing by the area A
Dividing the left and right hand sides of equation by
The general vector for the heat flux
For 1-D plane layer
Advanced Advanced
Combustion Combustion
x
Simplified Conservation Equation for Reacting Flows
Energy Conservation
General one dimensional form
In terms of the bulk and species mass flux
Rearranging
Expand the first term
and
Advanced Advanced
Combustion Combustion
Simplified Conservation Equation for Reacting Flows
Energy Conservation
Shvab-Zeldovich form
Final 1-D energy conservation equation
Shvab-Zeldovich form
Species mass flux and enthalpies are replaced with terms having temperature as the
only dependent variable
Key assumption in Shvab-Zeldovich equation: Lewis number is unity
Advanced Advanced
Combustion Combustion
1 = = =
D D c
k
Le
p
=
field flow the in
stream oxidizer the in
stream fuel the in
f
1 0
0
1
Simplified Conservation Equation for Reacting Flows
Definition of Mixture Fraction
For three species system:
in other words
Where fuel stuff is that material originating in the fuel stream. For a
hydrocarbon fuel, fuel stuff is carbon and hydrogen.
Advanced Advanced
Combustion Combustion
Simplified Conservation Equation for Reacting Flows
Definition of Mixture Fraction
The definition of mixture fraction can be written more simply
This conserved scalar is particularly useful in dealing with diffusion (non
premixed) flames. For premixed combustion, the mixture fraction is uniform
everywhere.
The conserved scalar can be used to generate a sourceless species conservation
equation
Advanced Advanced
Combustion Combustion
Simplified Conservation Equation for Reacting Flows
Conservation of Mixture Fraction
Writing species mass conservation for fuel and product species
Dividing this equation by
knowing that
Advanced Advanced
Combustion Combustion
) 1 ( +
Simplified Conservation Equation for Reacting Flows
Conservation of Mixture Fraction
Writing species mass conservation for fuel and product species
knowing that
The conservation of mixture fraction can be written as:
for 1-D spherical system
Advanced Advanced
Combustion Combustion
Simplified Conservation Equation for Reacting Flows
Conservation of Mixture Fraction
and for 2-D axisymmetric geometry can be obtained:
Advanced Advanced
Combustion Combustion
Simplified Conservation Equation for Reacting Flows
Conservation Scalar Energy Equation
The mixture enthalpy is also a conserved scalar
the conserved scalar forms of energy conservation can be expressed as
for 1-D spherical system :
and for 2-D axisymmetric geometry :
Advanced Advanced
Combustion Combustion
Simplified Conservation Equation for Reacting Flows
Solve problem 7(1,7,10)
Advanced Advanced
Combustion Combustion
Laminar Diffusion Flames
Non reacting Laminar Jet
Consider a non-reacting laminar jet of fuel into quiescent oxidizer
Advanced Advanced
Combustion Combustion
Laminar Diffusion Flames
Non reacting Laminar Jet
As the jet issues into the surrounding air, some of its momentumis transferred
to the air.
The processes that control the velocity field, are similar to the processes that
control the convection and diffusion of mass
Similar to the initial jet momentum, the mass of issuing from the nozzle is
conserved:
Advanced Advanced
Combustion Combustion
Laminar Diffusion Flames
Non reacting Laminar Jet
In order to provide a very simple analysis of non-reacting laminar jet, following
assumptions are employed
The molecular weight of fuel and oxidizer are equal
Species molecular transport governed by Fickslaw.
Momentum and species diffusivity are constant and equal,
Only radial diffusion of momentum and species is important
Advanced Advanced
Combustion Combustion
1 = =
D
Sc
Laminar Diffusion Flames
Non reacting Laminar Jet
Conservation Laws
The basic governing equations (mass, momentum and species) are the so called
boundary-layer equations
Advanced Advanced
Combustion Combustion
Laminar Diffusion Flames
Non reacting Laminar Jet
Boundary Conditions
In order to solve the governing equations 7 boundary conditions are needed
Along the jet centerline (r=0)
At large radius
At the jet exit (x=0)
Advanced Advanced
Combustion Combustion
r
Laminar Diffusion Flames
Non reacting Laminar Jet
Solution
The velocity field can be obtained by similarity solution (similarity variable: r/x)
For axial and radial velocities
The jet initial momentum flow
The similarity function contains similarity variable (r/x)
Advanced Advanced
Combustion Combustion
Laminar Diffusion Flames
Non reacting Laminar Jet
Solution
The non-dimensional axial velocity
The non-dimensional centerline velocity
The velocity decays inversely with axial distance and is directly proportional to
jet Reynolds number.
Advanced Advanced
Combustion Combustion
Laminar Diffusion Flames
Non reacting Laminar Jet
Centerline velocity decay of laminar jet
Advanced Advanced
Combustion Combustion
Laminar Diffusion Flames
Non reacting Laminar Jet
Spreading rate and spreading angle
J et half width: the radial location where the jet velocity has decayed to one half of
its centerline value.
Thespreading rate:
Spreading angle
Advanced Advanced
Combustion Combustion
Laminar Diffusion Flames
Non reacting Laminar Jet
Solution for concentration field
The fuel mass fraction plays the same role as the dimensionless axial velocity if
The functional form of the solution for Y
F
is identical to that for v
x
/v
e
Based on the jet Reynolds number
This solution can be applied far from the nozzle
Advanced Advanced
Combustion Combustion
1 = =
D
Sc
Laminar Diffusion Flames
Jet Flame Physical Description
Flame Surface: where the fuel and oxidizer meet in stoichimetricproportion
Advanced Advanced
Combustion Combustion
Laminar Diffusion Flames
Jet Flame Physical Description
Flame length: is simply determined by the axial location where
The flame zone can be demonstrated in a simple experiment by a metal screen
Advanced Advanced
Combustion Combustion
Laminar Diffusion Flames
Simplified Theoretical Descriptions
For a simple analysis of reacting laminar jet, following assumptions are employed
The flow is laminar, steady and axisymmetric
Only three species are considered
Fuel and oxidizer react in stoichiometric proportions
Species molecular transport governed by Fickslaw.
Thermal energy and species diffusivities are equal
Radiation heat transfer is negligible
Only radial diffusion of momentum, thermal energy and species is important
The flame axis is oriented vertically upward
Advanced Advanced
Combustion Combustion
1 = =
D
Le
Laminar Diffusion Flames
Conservation Laws
With these assumptions the governing equations (velocity, temperature and
species) are developed as follows
Mass conservation
Axial momentum conservation
Species conservation
Energy conservation
Advanced Advanced
Combustion Combustion
Laminar Diffusion Flames
Additional Relations
The equation of state relate density and temperature
Total number of conservation equation: 5
Total number of unknowns: 5
Problem: some of the boundary conditions necessary to solve the fuel and
oxidizer and energy equation must be specified at the flame
Solution: employing conserved scalars
Advanced Advanced
Combustion Combustion
Laminar Diffusion Flames
Conserved Scalar Approach
Mixture Fraction
Replacing the two species conservation equations with the singlemixture fraction
equation
The appropriate boundary condition for f:
Energy conservation
Replacing the Shvab-Zeldovich energy equation
Advanced Advanced
Combustion Combustion
Laminar Diffusion Flames
Conserved Scalar Approach
Appropriate boundary for h :
The continuity and axial momentum equations remain. Boundary conditions for
the velocities:
Advanced Advanced
Combustion Combustion
Laminar Diffusion Flames
Non dimensional equations
Valuable insights can be obtained by defining dimensionless variable
The mixture absolute enthalpy and density
Advanced Advanced
Combustion Combustion
Laminar Diffusion Flames
Non dimensional equations
Dimensionless governing equations
Advanced Advanced
Combustion Combustion
Laminar Diffusion Flames
Dimensionless boundary conditions
The mixture fraction and dimensionless enthalpy equations and their boundary
conditions are of identical form.
Advanced Advanced
Combustion Combustion
Laminar Diffusion Flames
Additional assumptions
Schmidt number is unity
Buoyancy force is negligible
Single conservation equation for axial momentum, mixture fraction and enthalpy
and are coupled though continuity
Advanced Advanced
Combustion Combustion
*
*
x
v
Laminar Diffusion Flames
State relationships
To solve the jet flame, requires that the density be related to mixture fraction f
To determine the mixture temperature
Advanced Advanced
Combustion Combustion
Laminar Diffusion Flames
State relationships
Calorific equation of state
Similarity of governing equations
Solving recent equation for T
With the appropriate expression for Y
F
Advanced Advanced
Combustion Combustion
Laminar Diffusion Flames
State relationships
Simplified state relationships
Advanced Advanced
Combustion Combustion
Laminar Diffusion Flames
State relationships
Advanced Advanced
Combustion Combustion
Laminar Diffusion Flames
Various solutions
Burke-Schumann
Assumptions
Flame sheet approximation
A single velocity characterized the flow (v
x
=v, v
r
=0)
Neglect buoyancy force
Solution
Variable density species conservation
Final partial differential equation
Assuming product of density and diffusivity is constant:
Advanced Advanced
Combustion Combustion
Laminar Diffusion Flames
Burke-Schumann
Solution for flame length based on Bessel functions
The effect of buoyancy is to cause narrowing of the flame
Advanced Advanced
Combustion Combustion
Laminar Diffusion Flames
Various solutions
Roper
Assumptions
Proceeded in the sprit Burke-Schumann approach
Variable axial characteristic velocity
Solution
Constant density solution (non reacting jet)
Variable density solution (Fays solution)
Advanced Advanced
Combustion Combustion
Laminar Diffusion Flames
Flame lengths for circular port
Roper correlations
For various burner geometries
Various flow regimes (momentum control, buoyancy control or transitional).
Fuel jet emerging into quiescent or coflowingoxidizer
Advanced Advanced
Combustion Combustion
Laminar Diffusion Flames
Empirical and theoretical correlation for vertical laminar jet flames
Advanced Advanced
Combustion Combustion
Laminar Diffusion Flames
Flow and geometry effects
Geometry effects
Advanced Advanced
Combustion Combustion
Laminar Diffusion Flames
Flow and geometry effects
Fuel type
Advanced Advanced
Combustion Combustion
Laminar Diffusion Flames
Flow and geometry effects
Primary aeration:
Premix some air with the fuel make the flame short and prevents soot formation.
Advanced Advanced
Combustion Combustion
Laminar Diffusion Flames
Flow and geometry effects
Effect of Oxygen content in the oxidizing stream
Advanced Advanced
Combustion Combustion
Laminar Diffusion Flames
Soot Formation
For hydrocarbon fuels, soot is frequently present, change flame to yellow or
orange
Soot is formed in the fuel side and is consumed in oxidizing region
All of the soot may not be oxidized, in this case soot wings mayappear with the
soot breaking through the flame (smoke generation)
Advanced Advanced
Combustion Combustion
Laminar Diffusion Flames
Soot formation and destruction
The formation and destruction of soot is an important feature of non premixed
flames
The incandescent soot is the primary source of diffusion flames luminosity
Soot also contributes to radiant heat loss from the flame
Soot is formed in diffusion flames over 1300 K<T <1600 K
Advanced Advanced
Combustion Combustion
Laminar Diffusion Flames
Soot formation and destruction
Soot is contained in the region where the scattered light is high
Advanced Advanced
Combustion Combustion
Laminar Diffusion Flames
Soot formation steps
1- Formation of precursor species (Polycyclic Aromatic Hydrocarbons, PAH)
e.g. C
20
H
14
, C
22
H
12
2- Particle inception: formation of small particles (3000-10000 atomic mass unit)
3- Surface growth
4- Particle oxidation
Advanced Advanced
Combustion Combustion
Laminar Diffusion Flames
Sooting and non-sooting condition
Sooting condition: all of the soot particles are oxidized
Incomplete oxidation yields a sooting flame
Advanced Advanced
Combustion Combustion
Laminar Diffusion Flames
Soot volume of fractions for Propylene and Butane (sooting and non sooting
condition)
Advanced Advanced
Combustion Combustion
Laminar Diffusion Flames
Smoke point
Tendency of fuel to form soot (an experimental parameter)
the smoke point is tested originally devised for liquid fuels
Increasing the fuel flow rate until smoke is observed to escape from the flame
tip
Advanced Advanced
Combustion Combustion
Laminar Diffusion Flames
Smoke point
Advanced Advanced
Combustion Combustion
Laminar Diffusion Flames
Smoke point
Advanced Advanced
Combustion Combustion
Laminar Diffusion Flames
Solve problems 9(6,12,18)
Advanced Advanced
Combustion Combustion
Turbulent Non-premixed Flames
Turbulent nonpremixed flames are employed in the majority of practical
combustion systems. In comparison with premixed flames:
nonpremixed flames are more controlling
nonpremixed flames produce more NO
x
There are many types of nonpremixed flames
Advanced Advanced
Combustion Combustion
Turbulent Non-premixed Flames
For any particular application, the designer is faced with many issues:
Flame shape and size
Flame holding and stability
Heat transfer
Pollutant emissions
Advanced Advanced
Combustion Combustion
Turbulent Non-premixed Flames
Jet Flames
Turbulent nonpremixed jet flames have fuzzy edge and generally are more
luminous
Instantaneous and time average of ethylene flame
Advanced Advanced
Combustion Combustion
Turbulent Non-premixed Flames
Jet Flames
Instantaneous planar of OH radicals in an H
2
-air jet flame
Advanced Advanced
Combustion Combustion
Turbulent Non-premixed Flames
Jet Flames
Effect of flow rate on flame length
Advanced Advanced
Combustion Combustion
Turbulent Non-premixed Flames
Jet Flames
Attached flame
Liftoff (liftoff distance)
Blowout
Two important flow condition related to flame stability: liftoff andblowout
Flame stability has many applications for practical applications
Liftoff should be avoided
Advanced Advanced
Combustion Combustion
Turbulent Non-premixed Flames
Simplified Analysis
Assumptions
The time average flow is steady and axisymmetric
Molecular transport of momentum, species and thermal energy is unimportant
in comparison with turbulent transport
The turbulent eddy viscosity is constant
All correlations involving density fluctuations are negligible
The turbulent transport of momentum, species and thermal energy are all equal.
Buoyancy is neglected
Radiation heat transfer is negligible
Only radial turbulent diffusion is important
The fuel jet velocity is uniform
Only three species; fuel, oxidizer and product are considered
The fluctuations in mixture fraction are ignored
Advanced Advanced
Combustion Combustion
( ) R v
e turb
0285 . 0 / = =
= =
D D
t t t
Le Sc Pr = =
Turbulent Non-premixed Flames
Simplified Analysis
Conservation laws
Defining dimensionless variables using characteristic length, R and characteristic
velocity v
e
Mass conservation
Axial momentum conservation
Mixture fraction equation
Where the turbulent Reynolds number is defined
Advanced Advanced
Combustion Combustion
Turbulent Non-premixed Flames
Simplified Analysis
Boundary Conditions
Advanced Advanced
Combustion Combustion
Turbulent Non-premixed Flames
Simplified Analysis
solutions
A finite difference scheme is used to solve the above mentioned problem
Advanced Advanced
Combustion Combustion
Turbulent Non-premixed Flames
Flame Length
Factors affecting flame length
For vertical flame created by fuel jet
Initial jet momentum flux and buoyancy forces
Stoichiometry
Ratio of nozzle fluid and ambient density
Initial jet diameter
The flame Froudenumber and momentum diameter are defined as:
Advanced Advanced
Combustion Combustion
Turbulent Non-premixed Flames
Flame Length
Correlations
Advanced Advanced
Combustion Combustion
Turbulent Non-premixed Flames
Flame length
Buoyancy dominated regimr
Momentum dominated regime
Advanced Advanced
Combustion Combustion
Turbulent Non-premixed Flames
Solve problems 13(4,5 and 8)
Advanced Advanced
Combustion Combustion