+ =
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
+ =
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