Basics of Computational Combustion Modeling PDF

Basics of Computational
Combustion Modelling
Dr. Gavin Tabor
....
Combustion – p.1
Why study Combustion?
Combustion of hydrocarbons – important fuel source

• Power generation
• Aircraft, rocket propulsion
• Cars etc
• Marine applications
Combustion – rapid chemical reaction between fuel
and oxidant (air). Usually involves fluid flow.
Understand + model processes → improve power
generation, decrease polutants.
....
Combustion – p.2
Physical basis
Complex area of investigation :

• Combustion affects fluid flow. Heat release
→ ∆T → change physical properties. Also
buoyancy drives flow
• Fluid flow affects combustion. Brings reactants
together, removes products. Can determine
rate of combustion, and even extinguish flame.
Overall, combustion ≡ rapid chemical reaction
between fuel and oxidiser.
However details vary – treat different regimes
....
differently.
Combustion – p.3
Combusion regimes
• Non-premixed combustion
• Regions of fuel + oxidiser separate,
• Combustion occurs at interface
• Premixed combustion
• Fuel and oxidiser mixed at molecular level
• Regions of burned and unburned gas,
separated by (thin) flame
• Partially premixed combustion
• somewhere between
....
Combustion – p.4
Some examples
Premixed :
• Spark ignition (IC) petrol engines
• Lean burn gas turbines
• Household burners
• Bunsen burner (blue flame regime)
Partially premixed :
• Direct injection (DI) petrol engines
• Aircraft gas turbines
....
Combustion – p.5
Examples – non-premixed
Non-premixed :
• Diesel engines
• Aircraft gas turbines
• Furnaces
• Candles, fires
....
Combustion – p.6
Flame structure
Premixed combustion
– Flame propagating in laminar flow is characterised
by :
Laminar flame speed sL ,
thickness lF
Combustion rate controlled by molecular diffusion

processes (DL – diffusivity)
....
Combustion – p.7
Chemistry
Dimensional analysis gives :

DL
lF =
sL
linking these processes.

Chemical reaction time
lF
tL =
sL
....
Combustion – p.8
Turbulent flame structure
This is more complex. Turbulence characterised by

turbulence intensity u0
Integral, Kolmogorov scales lI , η
u0 l I
Turbulent Reynolds number ReT =
ν
Characteristic turbulent eddy turnover time

lI
tT = 0
.... u
Combustion – p.9
Damköhler number
Compare importance of turbulence and combustion –

Damköhler number
tT l I sL
Da = = 0
tL u lF
• ratio of eddy turnover time to burning
• effect of turbulence on chemical processes
Other measures :
lF /η Measure of local distortion of the flame
.... u0 /sL Relative strength of turbulence.
Combustion – p.10
Flame structure
In more detail, 3 regions :

Inner
Oxidant T
Layer
Fuel
Oxidation
Layer
Preheat
Zone
Flame Propagation
....
Combustion – p.11
Flame structure
1. a preheat zone,
2. an inner layer of fuel consumption,
3. the oxidation layer.
Thickness of the inner layer

lδ = l F δ
For stoichoimetric methane at 1 atmosphere,

lF = 0.175 mm and δ = 0.1
....
Combustion – p.12
Non-premixed combustion
• No obvious characteristic velocity scale

• Define a characteristic diffusion thickness lD
• Flame still divided into fuel consumption and
oxidation layers
• Oxidation layer
lε = εlD
of more importance.
....
Combustion – p.13
Modelling – direct approach
We can approach the problem in a simple way :

• Combustion ≡ chemical reaction process
combining reactants to form products
• Write balance equations for species
• Solve together with continuity and momentum
equations
....
Combustion – p.14
Mass fraction
Define Mass fraction Yi

– the mass of the species per unit mass
of the mixture.
Transport equation
∂ρYi
+ ∇.ρYi u = ∇.ρDi ∇Yi + ρSi
∂t
Source term represents addition/removal due to
combustion
....
Combustion – p.15
Temperature equation
Also need transport equation for some measure

of the energy – say temperature T .
∂ρT
+ ∇.ρT u = ∇.ρD∇T + ρST
∂t
Source term represents radiation, pressure work,
energy release.
....
Combustion – p.16
Reactive scalars
Often group everything together as

“reactive scalars”
ψi = {Y1 , Y2 , . . . , Yn , T }
with transport equation

∂ρψi
+ ∇.ρψi u = ∇.ρDi ∇ψi + ρSψi
∂t
....
Combustion – p.17
Problems
Problems with this approach :

1. n often quite large!
– detail 100’s of
Elementary reaction mechanisms
reactions for combustion process. Invoke
QSSA to reduce to manageable proportions
(1-5).
2. Turbulence still unaccounted for!!
Turbulence – introduces too many details to
calculate. Use Reynolds averaging to eliminate
details, replace by a model.
....
Combustion – p.18
Moment methods
Turbulence modelling – replace ‘small scale’ detail

of turbulence with (cheaper) turbulence model.
Similar process used in combustion modelling –
average to remove details, then substitute a model.
Density of fluid variable ⇒ use Favre averaging.
fx + u00x
ux (x, t) = u
Here
ρux
ρux = 0 and thus u
fx =
ρ
....
Combustion – p.19
Favre averaging
Useful for modelling when density varies : NSE

contain terms such as
ρux uy
Using Favre averaging this becomes
ρux uy = ρf fy + ρug
ux u 00 u00
x y
Use this to derive mean flow equations

(Favre-averaged NSE) and equations for k and
– a turbulence model for compressible flow.
....
Combustion – p.20
Moment methods cont.
Favre averaged equation for reactive scalars :
∂ρψei
e = ∇.ρDi ∇ψi − ∇.ρug
+ ∇.ρψei u f
00 ψ 00 + ρS
i ψi
∂t
High Re, so molecular diffusivity D can be ignored.
Two terms cause problems :
−∇.ρug
00 ψ 00
i representing turbulent transport
and
ρSf
ψi the mean chemical source term
....
Combustion – p.21
Specific models
Different combustion models arrise from different

approaches to these terms – range from cheap and
inaccurate to precise and expensive.
E.g. Eddy Breakup Model – Spalding (1971)
• assumes turbulent mixing determines chemical
reaction rate
• gives simple model for chemical source term
• combine with k − model for turbulence
• cheap to compute. Requires extensive tuning.
....
Combustion – p.22
PDF Transport
Probability Distribution Function methods

• turbulence can be described/modelled in
terms of correlation functions
• turbulent processes – combustion – can also be
described/modelled in terms of correlations
• joint PDF of velocity and reactive scalars
P (u, ψ; x, t)
• Potentially more accurate. Also very expensive.

....
Combustion – p.23
Flamelet methods
Main alternative methodology.

High Re, Da ⇒ flame fronts very thin – consider
as 2d sheet which :
• separates burnt and unburnt gas (premixed
combustion)
• separates fuel and air (non-premixed)
• is distorted by mean flow and by turbulence
• propagates by burning.
.... Location of flame sheet specified by indicator function.
Combustion – p.24
Indicator function
Premixed combustion : progress variable

T − Tu YP
c= or c=
Tb − T u YP,b
0 < c < 1 : 1 represents burned gas, 0 unburned.

Some intermediate value represents flame centre.
....
Combustion – p.25
1-d representation
Plotting c across the flame :

1
c
Unburned Burned
0
c = 0.5 = flame centre
....
Combustion – p.26
Flame wrinking
Flame will be wrinkled by turbulence on scales too

small to simulate
....
Combustion – p.27
Averaging
Average equation
∂ρec
cu = −∇.ρug
+ ∇.ρe ec
00 c00 + ρS
∂t
Need to model :
ug
00 c00 turbulent transport term
Sec reaction term
– but now have a manageable set of equations.

....
Combustion – p.28
Other models
Other versions
• flame surface density Σ
• G -equation
• Non-premixed combustion
– use mixture fraction Z .
....
Combustion – p.29
Counter-gradient transport
Final note : modelling of ug

00 c00 often uses gradient
transport assumption
ug
00 c00 = −D ∇e
t c
However this is frequently wrong – counter-gradient

transport.
....
Combustion – p.30

Basics of Computational Combustion Modeling PDF

Uploaded by

Copyright:

Available Formats

Basics of Computational Combustion Modeling PDF

Uploaded by

Document Information

Original Description:

Original Title

Copyright

Available Formats

Share this document

Share or Embed Document

Sharing Options

Did you find this document useful?

Is this content inappropriate?

Copyright:

Available Formats

Basics of Computational Combustion Modeling PDF

Uploaded by

Copyright:

Available Formats

Basics of Computational

Combustion of hydrocarbons – important fuel source

Complex area of investigation :

Combustion rate controlled by molecular diffusion

Dimensional analysis gives :

linking these processes.

This is more complex. Turbulence characterised by

Characteristic turbulent eddy turnover time

Compare importance of turbulence and combustion –

In more detail, 3 regions :

Thickness of the inner layer

For stoichoimetric methane at 1 atmosphere,

• No obvious characteristic velocity scale

We can approach the problem in a simple way :

Define Mass fraction Yi

Also need transport equation for some measure

Often group everything together as

with transport equation

Problems with this approach :

Turbulence modelling – replace ‘small scale’ detail

Useful for modelling when density varies : NSE

Using Favre averaging this becomes

Use this to derive mean flow equations

Favre averaged equation for reactive scalars :

Different combustion models arrise from different

Probability Distribution Function methods

• Potentially more accurate. Also very expensive.

Main alternative methodology.

.... Location of flame sheet specified by indicator function.

Premixed combustion : progress variable

0 < c < 1 : 1 represents burned gas, 0 unburned.

Plotting c across the flame :

Flame will be wrinkled by turbulence on scales too

Sec reaction term

– but now have a manageable set of equations.

Final note : modelling of ug

However this is frequently wrong – counter-gradient

You might also like