Computer Fluid Dynamics

2181106
CFD8r
E181107

Combustion,
multiphase flows

reduced

Remark: foils with black background

could be skipped, they are aimed to the
more advanced courses

Rudolf itn, stav procesn a

zpracovatelsk techniky VUT FS 2010
CFD8r
COMBUSTION
Use EBU (Eddy
Breakup models)

Laminar
Premixed (only one flame
inlet stream of mixed
Homogeneous fuel and oxidiser) Turbulent
reaction in gases flame
Use mixture
fraction method
(PDF)
Laminar
Non premixed flame
(separate fuel and
Liquid fuels (spray
oxidiser inlets) Turbulent
combustion)
flame
Combustion of
particles (coal)
Lagrangian method-trajectories of a
representative set of droplets/particles
in a continuous media
CFD8r
COMBUSTION aims
Primary purpose of CFD analysis is to evaluate
Temperature field (therefore thermal power, heat fluxes through wall)
Composition of flue gas (environmental requirements, efficiency of burning)

To do this it is necessary to calculate

Velocities and turbulent characteristics (mixing intensity) NS equations
Transport of individual components (mass balances of species)
Chemical reactions (reaction rates)
Energy balances (with special emphasis to radiation energy transfer)
CFD8r
COMBUSTION balances
mi mass fraction of specie i in mixture [kg of i]/[kg of mixture]
mi mass concentration of specie [kg of i]/[m3]

Mass balance of species (for each specie one transport equation)

r
( mi ) ( mi u ) (
i
mi ) Si
t
Rate of production
of specie i [kg/m3s]

Production of species is controlled by

Diffusion of reactants (micromixing) tdiffusion (diffusion time constant)
Chemistry (rate equation for perfectly mixed reactants) treaction (reaction constant)
tdiffusion
Damkohler number Da
treaction
CFD8r
COMBUSTION enthalpy
Enthalpy balance is written for mixture of all species (result-temperature field)
r
( h) ( hu ) (
h) S h
t
Sum of all reaction enthalpies of all

Sh Si hri
reactions

i
It holds only for reaction without
phase changes h ~ cpT

Energy transport must be solved together with the fluid flow equations (usually
using turbulent models, k-, RSM,). Special attention must be paid to radiative
energy transport (not discussed here, see e.g. P1-model, DTRM-discrete
transfer radiation,). For modeling of chemistry and transport of species there
exist many different methods and only one - mixture fraction method will be
discussed in more details.
CFD8r
MIXTURE Fraction method

Bacon
CFD8r
MIXTURE Fraction method
Non-premixed combusion, and assumed fast chemical reactions (paraphrased
as What is mixed is burned or is at equilibrium)

mfuel Calculation of fuel and oxidiser

consumption is the most
Flue gases difficult part. Mixture fraction
moxidiser method is the way, how to
avoid it

Mass fraction of fuel

Mass balance of fuel (e.g.methane)

r
( m fuel ) ( m fuel u ) (
m fuel ) S fuel
t
kg of produced fuel
[ ]
Mass balance of oxidant s m3

r
( mox ) ( mox u )
(
mox ) Sox
t
Mass fraction of
oxidiser (e.g.air)
CFD8r
MIXTURE Fraction method
Stoichiometry
1 kg of fuel + s kg of oxidiser (1+s) kg of product

Introducing new variable

sm fuel mox
r
( sm fuel ) ( sm fuel u ) ( sm fuel ) sS fuel
and subtracting previous equations t
r
( mox ) ( mox u ) ( mox ) Sox
t

r
( ) ( u )
(
) sS fuel Sox
t

This term is ZERO

due to stoichimetry
CFD8r
MIXTURE Fraction method
Mixture fraction f is defined as linear function of normalized in such a way that
f=0 at oxidising stream and f=1 in the fuel stream
mox is the mass fraction of

0 sm fuel mox mox ,0 oxidiser at an arbitrary point

f
x,y,z, while mox,0 at inlet (at the
stream 0)

1 0 sm fuel ,1 mox ,0
Resulting transport equation for the mixture fraction f is without any source term

r
( f ) ( fu )
(
f)
t
Mixture fraction is property that is CONSERVED, only dispersed and transported
by convection. f can be interpreted as a concentration of a key element (for
example carbon). And because it was assumed that what is mixed is burned the
information about the carbon concentration at a place x,y,z bears information about
all other participating species.
CFD8r
MIXTURE Fraction method
Knowing f we can calculate mass fraction of fuel and oxidiser at any place x,y,z

sm fuel mox mox ,0 mox ,0 At the point x,y,z where

f=fstoichio are all reactants
f stoichio consumed (therefore
sm fuel ,1 mox ,0 sm fuel ,1 mox ,0 mox=mfuel=0)

For example the mass fraction of fuel is calculated as

f f stoichio
f stoichio f 1 (fuel rich region, oxidiser is consumed m ox =0) m fuel m fuel ,1
1 f stoichio
0 f f stoichio (fuel lean region) m fuel 0

The concept can be generalized assuming that chemical reactions are at

equlibrium

f mi mass fraction of species is calculated from equilibrium constants

(evaluated from Gibbs energies)
CFD8r
MIXTURE Fraction method
Equilibrium depends upon concentration of the key component (upon f) and
temperature. Mixture fraction f undergoes turbulent fluctuations and these
fluctuations are characterized by probability density function p(f). Mean value of
mass fraction, for example the mass fraction of fuel is to be calculated from this
distribution
Mass fraction corresponding to an
arbitrary value of mixture fraction is
calculated from equlibrium constant
1
m fuel m fuel ( f ) p( f )df
p 0 Probability density function, defined in
terms of mean and variance of f
p 1
f (1 f ) q 1
Frequently used distribution p( f ) 1

p 1
f (1 f ) q 1 df
0 fmean 1 0

Variance of f is calculated from another transport equation

2r
( f ' ) ( f ' u ) ( f f ' ) Cg t (
2 2
f ) Cd f '2
2

t k
CFD8r
MIXTURE Fraction method
Final remark: In the case, that mfuel is a linear function of f, the mean value of
mass fraction mfuel can be evaluated directly from the mean value of f (and it is
not necessary to identify probability density function p(f), that is to solve the
transport equation for variation of f). Unfortunately the relationship mfuel(f) is
usually highly nonlinear.

1
m fuel m fuel ( f ) p ( f )df m fuel ( f )
0
CFD8r
COMBUSTION of liquid fuel
Lagrangian method: trajectories, heating and evaporation of droplets
injected from a nozzle are calculated. Sum of all forces acting to liquid

r r droplet moving in continuous

fluid (fluid velocity v is calculated
du
mfuel m F by solution of NS equations)

dt Relative velocity
Drag force
r 1 r r r r
(fluid-particle)

FD cD A | u v | (u v )
2
Drag coefficient cD Effect of cloud ( c volume cD cD 0 / c3.7
depends upon Reynolds number fraction of dispersed phase-gas)

24 3 cD
cD (1 Re) Re 5 Oseen
Re 16
24
cD (1 0.15 Re0.687 ) Re 800 Schiller Nauman Newtons region
Re cD=0.44
cD 0.4 1000< Re 3.105 Newton

1 104 105 Re
CFD8r
COMBUSTION of liquid fuel

Evaporation of fuel droplet

Sherwood Mass fraction of
Diffusion from droplet surface to gas: number fuel at surface

dm d D 2
( p ) D 2 Sh g Ddif (m fg ms )
dt dt 6
Ranz Marshall correlation for mass transport Schmidt number =/Ddif

Sh 2 0.6 Re05 Sc 0.33

CFD8r
MULTIPHASE flows examples
Fluidised bed Mixer (draft and others
reactor or tube) Hydrotransport,
combustor cyclones, free
surfaces, breakup
of liquid jets,
expanding foams,
aerated reactors,
cavitation, mold
filling

Phases
Spray dryer Flow Annular
boiling flow Gas-liquid
Gas-solid
Liquid-liquid
Slug flow
visualisation
Bubble
THERMOPEDIA
flow
CFD8r
MULTIPHASE flows methods

Methods
Lagrange (see liquid fuel burners, suitable for low concentration of particles)
Mixture (not significant difference between phases, e.g. sedimentation)
Euler (the most frequently used technique for any combination of phases)
VOF (Volume Of Fluid) (evolution of continuous interface, e.g. shape of
free surface modeling, moving front of melted solid)
CFD8r
MULTIPHASE EULER
For each phase q are separately solved
Continuity equation (mass balance of phase)
r
( q q ) ( q q vq ) m&pq
t p

Volumetric Velocity of Mass transfer from

fraction of phase phase q phase p to phase q
q

Momentum balance (each phase is moving with its own velocity,

only pressure is common for all phases)

r rr rr r
( q q vq ) ( q q vq vq ) q p ( q q ) R pq
t p

Stresses are calculated in the Interphas

same way like in one phase e forces
flows
CFD8r
MULTIPHASE EULER
Specific semiemprical correlations describe
interaction terms

Mass transfer
for example Ranz Marschall correlation for Sh=2+

r r r
Momentum exchange R pq k pq (vq v p )

Special models for kpq are

available for liquid-liquid, liquid-
solid, and also for solid-solid
combinations
CFD8
MULTIPHASE MIXTURE method
Mixture model solves in principle one-phase flow with mean
density m , mean velocity vm
Continutity equation for mixture
m r
( m vm ) 0
t
Momentum balance for mixture (with corrections to drift velocities)
r r r r r T r r
( m vm ) ( m vm vm ) p ( m ( vm ) ) ( p p vdr , p vdr , p )
vm (
t p
r r r
Drift velocities are evaluated from algebraic models vdr , p v p vm
(mixture acceleration determines for example centrifugal
forces applied to phases with different density)

Volumetric fraction of secondary phase (p)

r r
( p p ) ( p p vm ) ( p p vdr , p )
t
CFD8
MULTIPHASE VOF
Evolution of clearly discernible interface between
immiscible fluids (examples: jet breakup, motion of large bubbles, free surface
flow)

There exist many different methods in this category, Level set method,
Marker and cell, Lagrangian method tracking motion of particles at interface.
Fluent
Donor acceptor

=0 =0 =0 Geometric reconstruction

r
=1 =0 u 0
t
=1 =1 =1 Dissadvantage: initially sharp
interface is blurred due to
numerical diffusion
CFD8
Level Set method
CFD8
RADIATION

Pollock
CFD8
RADIATION
Heat flow (W) between gas and wall

Q S g TS4 Ag Tw4 .
Absorptivity of gas
corresponding to wall
temperature Tw
Emissivity of gas
corresponding to
temperature of gas Ts

Hottels diagram for

emissivity of CO2 and H2O
as a function of temperature and pL
(pressure x length)

p H 2O pCO 2 L
8160 p H 2O 13,810 4 T
g T 1 e 10 ,

Kirchhoffs law (=a)

Emissivity=Absorptivity
at the same wavelength
CFD8
RADIATION Fluent models
Radiation models are selected according to optical thickness of media (flue gas)
a.L V
L 3.5
S

aL<1
DTRM (discrete transf.radiation modelling)
dI a T 4
(a s ) I
DO (discrete ordinates) dt
Absorption and
scatter
1<aL<3
P-1 model (transport equation for radiation temperature)

3<aL
Roseland model (simplified P-1 model)