Computational Fluid Dynamics I

http://users.wpi.edu/~gretar/me612.html!

Computational Fluid Dynamics I

Examples:!

Multiphase Flow Modeling!

Grtar Tryggvason !
Spring 2010!

Spray drying!
Pollution control!
Pneumatic transport!
Slurry transport!
Fluidized beds!
Spray forming!
Plasma spray coating!
Abrasive water jet cutting!
Pulverized coal fired furnaces!
Solid propellant rockets!
Fire suppression and control!

Computational Fluid Dynamics I

Computational Fluid Dynamics I

Disperse flow!
Single component

Multicomponent!

Solid-liquid: Slurries, quicksand, sediment transport!

Single
phase

water flow
Nitrogen flow

air flow!
emulsions!

Solid-air: dust, fluidized bed, erosion!

Multiphase

Steam-water flow
Freon-Freon
vapor flow!

air-water flow!
slurry flow!

Computational Fluid Dynamics I

Flow in pipes!
Stratified!

Slugs!

Mixed!

Dispersed!

Liquid-air: sprays, rain!

Air-liquid: bubbly flows!

Computational Fluid Dynamics I

This figure shows schematically one

of several different configurations of a
circulating fluidized bed loop used in
engineering practice. The particles
flow downward through the aerated
standpipe, and enter the bottom of a
fast fluidized bed riser. The particles
are centrifugally separated from the
gas in a train of cyclones. In this
diagram, the particles separated in the
primary cyclone are returned to the
standpipe while the fate of the
particles removed from the secondary
cyclone is not shown. !
From: Computational Methods for
Multiphase Flow, Edited by
A.Prosperetti and G.Tryggvason!

Computational Fluid Dynamics I

Need model equations to predict flow rates, pressure

drop, slip velocities, and void fraction!
Mixture models: one averaged phase!
Two-fluid models: two interpenetrating continuum!

Computational Fluid Dynamics I

Euler/Euler approach!
All phases are treated as interpenetrating continuum!
The dispersed phase is averaged over each control volume!
Each phase is governed by similar conservation equations!
Modeling is needed for!
!interaction between the phases!
!turbulent dispersion of particles!
!collision of particles with walls!
A size distribution requires the solution of several sets of
conservation equations !
Numerical diffusion at phase boundaries may result in errors!
This approach is best suited for high volume fraction of the
dispersed phase!

Computational Fluid Dynamics I

Euler/Lagrange approach!
The fluid flow is found by solving the Reynolds-averaged
Navier-Stokes equations with a turbulence model.!
The dispersed phase is simulated by tracking a large number of
representative particles.!
A statistically reliable average behavior of the dispersed phase
requires a large number of particles!
The point particles must be much smaller than the grid spacing!
Modeling is needed for!
!collision of particles with walls!
!particle/particle collisions and agglomeration!
!droplet/bubble coalescence and breakup!
A high particle concentration may cause convergence problems!

Computational Fluid Dynamics I

Although commercial codes will let you model relatively

complex multiphase flows, it is really only in the limit of
dispersed and dilute flows where we can expect reasonable
accuracy!
To treat systems like this, the
two-fluid model is usually
used. The continuous phase
is almost always used in an
Eularian way where the
continuity, momentum, and
energy equations are solved
on a fixed grid. !

Computational Fluid Dynamics I

The void fraction p describes how much

of the region is occupied by phase p.!
Obviously,!

Similarly, the effective

density of phase p is!

= p p

=1

Computational Fluid Dynamics I

While the averaging is similar to turbulent flows,

here we must account for the different phases!

1 inside phase p
p =
0 otherwise
The void fraction is found by!

p =

1
V

p dv

Computational Fluid Dynamics I

Computational Fluid Dynamics I

Averages are found by!

The total mass of phase p in a control volume is!

1
p =
pV

p dv

Where the volume

V goes to zero in
some way!

1
pV

p p dv

And the mass conservation equation can be

averaged to yield!

The velocity is found by!

u p =

p p + ( p p u p ) = m p
t

u p p dv

The averages can also be interpreted as time or

ensemble averages!

Here!

=0

Since a mass that leaves one phase

must add to another phase!

Computational Fluid Dynamics I

Computational Fluid Dynamics I

The conservation of momentum equation becomes!

( p pu p ) + ( p pu pu p ) = ppp
t
+ ( p p D p ) + p p g + ( p p < uu >) + Fint
Reynolds
stresses!

interfacial
forces!

In addition to the Reynolds stresses, it is now necessary

to model the interfacial forces. The kinetic energy is
often neglected, even though the fluctuations are nonzero in laminar flow!

Computational Fluid Dynamics I

However, the dispersed phase is not all that continuous

and an other approach is to explicitly tract
(representative) particles by solving!

du
= Fp
dt
If the particles have no influence on the fluid: one way
coupling!
If the particles exert a force on the fluid: Two way
coupling!

If there is no mass transfer m=0 and F is the force that

one phase exerts on the other!

=0

In principle the conservation equations can be

solved for both the continuous and the dispersed
phase (Euler/Euler approach).!

Computational Fluid Dynamics I

Usually the force is written:!

Fp = kD (u u p ) + g
Drag
force!

D
+ Fother

Gravity!
buoyancy!

Other forces due

to added mass,
pressure, lift, etc!

Computational Fluid Dynamics I

For the drag:!

where!

Fp = k ( ur u p )
k=

and!

Computational Fluid Dynamics I

The force allows us to find the particle

velocity by integrating:!

(ur up )
3
CDr q
4
dr

du p
= Fp
dt

CD = CD (Re)

Find particle trajectories by solving!

dx p
= up
dt

is obtained from experimental correlations, such as!

24
CD =
(1+ 0.15Re 0.687 ) Re < 103
Re
For solid particles!

Re based on slip velocity!

Computational Fluid Dynamics I

Turbulent flow!

Usually a large number of particles is used to get a

well converged particle distribution!

Set particle velocity!

u p + u'

Computational Fluid Dynamics I

Random velocity fluctuations

from !

k p = u' u'

Notice that almost all the interactions (particles/flow)

particle/particle, particle/wall) are highly empirical!

Particles can
accumulate here!
This allows particles to cross streamlines
as they do in turbulent flow!

Computational Fluid Dynamics I

Similar approach can be taken for the temperature

and the size of a particle (heat and mass transfer)!

m pc p

dTp
= hA p (Tf Tp ) + p A p (T4 Tp4 )
dt

dm p
= m p
dt

Mass transfer due

to evaporation, for
example!

For dilute flows this does work reasonably well if

the initial or inlet conditions are knows!

Computational Fluid Dynamics I

Turbulent in the continuous phase!

Either ignore the contributions of the dispersed phase
when computing the flow, or use a k- model!
Solve for k and in the liquid and kp. Called k kp models.!
The k equation is!

Dk
= + < U Fp >
Dt

< U Fp >=

< u f (u f u p ) >= (< u f u f > < u f u p >)

This term can lead to both reduction and increase in the

turbulence in the liquid!

Computational Fluid Dynamics I

Computational Fluid Dynamics I

The full two-fluid model suffers from several

problems, in addition to uncertainties about the
various closure assumptions:!

Modeling of Laminar Flow

in a Vertical Channel!

The major one is that the full equations are ill-posed

and one cannot expect a fully converged solution
under grid refinement!
One possible way around this is to use the drift flux
approximation where the particle velocity is assumed
to be a given function of the local conditions.!

Computational Fluid Dynamics I

Bubbly flow in a vertical channel!

Need to know!
The bubble distribution!
The velocity profile and
the flow rate!

Computational Fluid Dynamics I

Comparison with a two-fluid model!
Simple two-fluid model for laminar multiphase flow

dp
3
+ g gy =
C D lU r U r
Bubble vertical momentum!
dy
8 Rb
dpl
2v l 3
Liquid vertical
(1 )
+ (1 ) l gy = (1 )l 2 +
C D lU r U r
momentum!
dy
x
8 Rb

Assume that the flow is

independent of y, so!

y

Flow! Gravity!
x

S.P. Antal, R.T. Lahey and J.E.
Flaherty. Intl. J. Multiphase Flow
17 (1991), 635-652.!

= 0 but!
y
pl
is given!
y

Computational Fluid Dynamics I

Comparison with a two-fluid model!
Comparison with experimental results. Graph from: S.P. Antal, R.T. Lahey and
J.E. Flaherty. Intl. J. Multiphase Flow 17 (1991), 635-652.!

U r
x 5

(1 ) = CLU r

ul
R U 2
Cw1 + Cw 2 b r

x
s Rb

Wall repulsion!
(away from wall or zero)!

Lift!
CD =

24
(1+ 0.1Re0.75)
Re

( x ) =

1
L

dx,
0

Bubble
horizontal
momentum!

Re =

2Rb l Ur

ul (0) = ul ( H ) = 0

m =

l
1

dpg dpl dp
=
=
dy
dy dy

Computational Fluid Dynamics I

Modeling of multiphase flows is still a very immature area.

Interpret the results with care!!
For more information about computing multiphase flow, see:!

Computational Fluid Dynamics I

http://users.wpi.edu/~gretar/me612.html!

Computational Fluid Dynamics I

Examples!
Gas combustion!
!Gasoline engines, !
!gas burners!

Combustion Modeling!

Spray combustion!
!Jet engines, !
!diesel engines!
Combustion of solids!
!coal, !
!wood, !
!polymers!

Grtar Tryggvason !
Spring 2010!

Computational Fluid Dynamics I

Diffusion flames!
Most burners, candle!
Flame stays at the
boundary between the
fuel and the oxidizer!

Computational Fluid Dynamics I

Premixed flames!
Some burners!
Hazards!
IC engines!

Diffusion Flames!

The flame separates

unburned and burned
mixture of fuel and oxidizer!

Computational Fluid Dynamics I

Diffusion flames!

Fuel, CH4
(methane), for
example!
Oxidizer, O2!

Computational Fluid Dynamics I

Diffusion flames!
The thickness of the
flame depends on
the ratio of the
reaction rates to the
diffusion times
(Dahmkler number)!

Slow Reaction!

Interim
species!
O2!

CH4!

Fast Reaction!
CH4!

Interim
species!
O2!

The thickness of the

flame depends on
the ratio of the
reaction rates to the
diffusion times
(Dahmkler number)!

Computational Fluid Dynamics I

Computational Fluid Dynamics I

In turbulent flows the

flame sheet usually
folds in complex ways!

In general, the combustion is a very complex

process involving O(100) species and reaction rates.
These are reasonably well known for a number of
reaction, but still an open research field in general.!
P = 4,
!inj =
0.1

P = 4,
!inj =
0.3

P = 4,
!inj =
0.5

Computational Fluid Dynamics I

For the full problem it is necessary to track the mass

fraction of every species along with the momentum,
mass, and energy conservation equations!

mi + umi = J + R
t

c i + uc i = R
t
R = T n AE E k / RT c i
i

Arrenius reaction rates!

Only a handful of computations of the full problem

have been done so far!

Computational Fluid Dynamics I

For a simple one step reaction it can be shown that it is

sufficient to follow one variable, called the mixture fraction!

f =

mf
m f + mo

This is a conserved variable that is simply advected with

the flow!

( f ) + ( fu) = Df
t

Given f, we can find each species fraction by!

i = i ( f )

For combustion of natural gas, GRIMech, for

example!

Computational Fluid Dynamics I

For realistic situations, the problem must be simplified!

Diffusion Flames!
Use one-step (overall) reaction rates !
(if Da -> , Burke Shuman limits)!
Use a reduced set of chemical reactions!

Can work very well for laminar flames. For

turbulent flows the reaction rates have to be
modified to account for stretching and folding of
flame sheets.!

Computational Fluid Dynamics I

The function can be constructed either assuming infinitely

fast reactions (flame sheets) or equilibrium. The library is
constructed once only. If the system is non-adiabatic, is a
function of the enthalpy also!
The chemical system must be a diffusion flame and
consists of a fuel and an oxidizer!
The Lewis number must be unity (all diffusion
coefficients equal)!
Only one fuel type (can be a mixture)!
Only one type of oxidizer (can be a mixture)!
Incompressible turbulent flow!

Computational Fluid Dynamics I

For turbulent flows we solve for both f and the fluctuations of

f and use those to determine the species fraction!

( f ')

pdf!

Computational Fluid Dynamics I

Constructing the pdf from measurements!
pdf!

f!

Determines how f
is distributed and
therefore how the
species are
distributed!

smaller!

f!
In the actual code a 2D look up table is first
constructed, given the shape of the pdf!
2

= f , ( f ')

t!

Computational Fluid Dynamics I

f!

Computational Fluid Dynamics I

Premixed flames!
The flame speed is found experimentally
or by detailed computations !

G<0!

Premixed Flames!

G + u G = U f G
t

Uf
G<0!
Flame is marked
by G=0!

Motion
due to
fluid
flow!

Motion
due to
burning!

For turbulent flow the flame speed is different from

laminar flow due to wrinkling!

Computational Fluid Dynamics I

Other combustion models!

Droplets!

Solid particles!

Evaporation!

Gasification!

Burning
(usually)!

Burning!

Computational Fluid Dynamics I

As for multiphase flows, many issues are still unresolved in

modeling of combustion and these models should be
applied with care!