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Lattice Boltzmann Method and Its

Applications in Multiphase Flows


Xiaoyi He
Air Products and Chemicals, Inc.
April 21, 2004
Outline
Lattice Boltzmann method
Kinetic theory for multiphase flow
Lattice Boltzmann multiphase models
Applications
Conclusions
A Brief History of Lattice
Boltzmann Method
Lattice Gas Automaton (Frisch, Hasslacher,
Pomeau,, 1987)
Lattice Boltzmann model (McNamara and Zanetti
(1988)
Lattice Boltzmann BGK model (Chen et al 1992
and Qian et al 1992)
Relation to kinetic theory (He and Luo, 1997)
Lattice Boltzmann BGK Model

t
o o
eq
a a
a a a
f f
t x f t t t e x f

= + + ) , ( ) , (
f
a
: density distribution function;
t: relaxation parameter
f
eq
: equilibrium distribution

= =
(

+ =
a
a a
a
a
a a
a
eq
a
e f u f
RT
u
RT
u e
RT
u e
f

e
,
2 ) ( 2
) (
1
2
2
2
Kinetic Theory of Multiphase Flow
BBGKY hierarchy

function on distributi particle - two
potential ular intermolec
function on distributi particle - single
: ) r , , r , (
: ) (
:
) ( ) ( ) (
2 2 1 1
) 2 (
12
2 2 12
1
) 2 (
1
1 1 1


f
r V
f
dr d r V
f
f F f
t
f
r
V
c
c
= V + V +
c
c
}}
Intermolecular Interaction
} : {
} : {
1 2 2
1 2 1
for theory field Mean
for theory Enskog
d r r D
d r r D
>
<
-0.5
0
0.5
1
1.5
2
0 1 2 3
r/d
V
Lennard-Jones potential
Interaction models
Model for Intermolecular Repulsion


)
`

V + V +
(

V + V
O
= V
c
c
=
} }
u C u CC T C T u
f b
dr d r V
f
I
eq
D
)
2
5
( : 2
5
2
ln )
2
5
(
5
3
) ln( ) (
) (
2 2 2
0
2 2 12
1
) 2 (
1
1
1
_
_ _


For D
1
(repulsion core)
Model for Intermolecular Attraction


For D
2
(attraction tail), by assuming
f V dr d r V
f
I
m
D
1
2
1
2 2 12
1
) 2 (
2
) (

V V = V
c
c
=
} }
) r , ( ) r , ( ) r , , r , (
2 2 1 1 2 2 1 1
) 2 (
f f f =
We have
Model for Intermolecular Attraction


V
m
is the mean-field potential of intermolecular attraction
}
}
>
>
=
=
d r
d r
dr r V r
dr r V a
) (
6
1
) (
2
1
2
k
k
2
2 V = a V
m
where
Control phase transition
Control surface tension
For small density variation:
}
>
=
d r
m
dr r V r V ) ( ) (
Kinetic Model for Multiphase Flow


Boltzmann equation for non-ideal gas / dense fluid
function on distributi particle - single :
) ( ) (
1
f
f V I f F f
t
f
m
V V + = V + V +
c
c
Kinetic Model for Multiphase Flow


Mass transport equation
0 ) ( = V +
c
c
u
t

2
0
2
2
0
) 1 ( ) , (
2
) , (
) ( ) (
_

k
k
k

a b RT T p
T p p
p F uu
t
u
+ =
V =
V V V + H V + V = V +
c
c
Momentum transport equation
Chapman-Enskog expansion leads to the following macroscopic
transport equations:
Kinetic Model for Multiphase Flow


Comments on momentum transport equation
1. Correct equation of state
2. Thermodynamically consistent surface tension

dr T
}
(

+ = +
2
2
) , (
k

3. Thermodynamically consistent free energy
(Cahn and Hillary, 1958)
interface in energy free excess : ) ( 2 ) W( d W k o
}
=
Kinetic Model for Multiphase Flow


Energy transport equation
k
k
k
k

V V + V =
V V V V V +
H V + V V + V = V +
c
c
I T p P
u
u T u P ue
t
e
]
2
) , ( [
)] (
2
1
) ( [ :
: ) ( : ) (
2
2
0
Kinetic Model for Multiphase Flow


Comments on energy transport equation
1.Total energy needs include both kinetic and potential
energies, otherwise the pressure work becomes:

2. Last term is due to surface tension and it is consistent
with existing literature (Irving and Kirkwood, 1950)
u p u b RT V = V + ) 1 ( _
LBM Multiphase Model Based on
Kinetic Theory
Temperature variations in lattice Boltzmann models;
Discretization of velocity space;
Discretization of physical space;
Discretization of temporal space.
Temperature in Lattice Boltzmann
Method
Non-isothermal model model is still a challenge
Small temperature variations can be modeled




Need for high-order velocity discretization
Isothermal model is well developed
(
(

+ + =
+ =
0
2
2
0
2
0 0
2
0
2 ) ( 2
) (
)
2
3
2
( 1
) 1 (
RT
u
RT
u
RT
u
RT
f
T T
a
eq

u

e
u
Isothermal Boltzmann Equation for
Multiphase Flow


)
2
) (
exp(
) 2 (
) (
) ( ) (
2
RT
u
RT
f
f V
RT
u f f
f F f
t
f
D
eq
eq
m
eq

=
V

= V + V +
c
c


Discretization in Velocity Space
Constraint for velocity stencil


Further expansion of f
eq

3 2, 1, 0, n for , = =
}
exact d f
eq n

(

+ =
RT
u
RT
u
RT
u
RT
f
eq
2 ) ( 2
) (
1 )
2
exp(
2
2
2 2

5 ..., 1, 0, n for , )
2
exp(
2
= =
}
exact d
RT
n

Discretization in Velocity Space


(

+ =
RT
u
RT
u e
RT
u e
f
a a
a
eq
a
2 ) ( 2
) (
1
2
2
2
e
9-speed model
7-speed model
e
a
: weight coefficients
Discretization in Physical and
Temporal Spaces
Integrate Boltzmann equation
eq
a m
a
eq
a a
a a a
f V
RT
t u e
t
f f
t x f t t t e x f V

= + +
o
o t
o o
) (
/
) , ( ) , (
Discretizations in velocity, physical and temporal spaces are
independent in principle;
Synchronization simplifies computation but requires
Regular lattice
Time-step constraint:

RT t x 3 / = o o
Further Simplification for Nearly
Incompressible Flow
Introduce an index function |:
) ( ) (
) (
) , ( ) , ( u
RT
u e f f
t x f t t t e x f
a
eq
a a
a a a
I V

= + + |
t
o o
)] ( )) 0 ( ) ( ( ) )( ( [
) ( ) , ( ) , (

t
o o
V I I + I
+

= + +
u G F u
u e
g g
t x g t t t e x g
s
a
eq
a a
a a a

+ + =
V =
=
) (
2
) (
2
1
G F
RT
g e RTu
RT p u g p
f
s a a
a
a

|
Applications
Phase Separation
Rayleigh-Taylor instability
Kelvin-Helmholtz instability
Phase Separation
Van der Waals fluid

T/Tc = 0.9
Rayleigh-Taylor Instability (2D)
Re = 1024
single mode
RT instability (2D)
Single mode
Density ratio: 3:1
Re = 2048
270 . 0 / = AgW u
T
RT instability (2D)
Multiple mode
Density ratio: 3:1
h
B
/Agt
2
= 0.04
RT instability (3D)
single mode
Density ratio: 3:1
Re = 1024
61 . 0 5 . 0 / = AgW u
T
RT instability (3D)
single mode
Density ratio: 3:1
Re = 1024
Cuts through spike
RT instability (3D)
single mode
Density ratio: 3:1
Re = 1024
Cuts through bubble
KH instability
Effect of surface tension
Re = 250
d1/d2 = 1
Ca = 0.29
Ca = 2.9
Other Applications

Multiphase flow in porous media (Rothman 1990,
Gunstensen and Rothman 1993);
Amphiphilic fluids (Chen et al, 2000)
Bubbly flows (Sankaranarayanan et al, 2001);
Hele-Shaw flow (Langaas and Yeomans, 2000).
Boiling flows (Kato et al, 1997);
Drop break-up (Halliday et al 1996);

Challenges in Lattice Boltzmann
Method
Need for better thermal models;
Need for better model for multiphase flow
with high density ratio;
Need for better mode for highly
compressible flows;
Engineering applications

Conclusions
Lattice Boltzmann method is a useful tool
for studying multiphase flows;
Lattice Boltzmann model can be derived
form kinetic theory;
It is easy to incorporate microscopic physics
in lattice Boltzmann models;
Lattice Boltzmann method is easy to
program for parallel computing.
Thank You!
Acknowledgement
Raoyang Zhang, ShiyiChen, Gary Doolen
Xiaowen Shan