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(1)

Mathematical Models

and

Numerical Methods

for

Compressible Multicomponent Flow

Keh-Ming Shyue

Department of Mathematics

National Taiwan University

(2)

What is Multiphase Flow ?

General features

Existence of more than one phase or component

(fluid-like or not) in an underlying flow environment

separated by interfaces

Problems of interest

(3)

Typical Multiphase Flow Patterns

Examples taken from

Fundamentals of Multiphase

(4)
(5)
(6)
(7)
(8)
(9)
(10)

Solid Plate Impact

a) phi = 25 b) phi = 30

c) phi = 45 d) phi = 60

The collision of two aluminum plates inclined at an angle of phi degrees to one another. Only the plate on the right is shown, the left hand boundary is the line of impact. Color contours of density are shown: pale blue is vacuum, green is unshocked aluminum, and dark blue is jetted material. Note that the onset of jetting occurs between phi = 25 and phi = 30 degrees. These computations are of the experiments reported by J.M. Walsh, R.G. Shreffler and F.J. Willig in "Limiting Conditions for Jet Formation in High Velocity Collisions", J. Appl. Phys. 24:349--359 (1953).

(11)
(12)

Shock Wave in Bubbly Flow

Density

a)

Pressure

b)

c)

d)

e)

(13)

Two-Phase Flow Model

Saurel & Gallouet (1998)

1

ρ

1

)

t

+ ∇ · (α

1

ρ

1

~u

1

) = ˙

m

1

ρ

1

~u

1

)

t

+ ∇ · (α

1

ρ

1

~u

1

⊗ ~u

1

) + ∇(α

1

p

1

) =

p

0

∇α

1

+ ˙

m

~u

0

+ F

d

1

ρ

1

E

1

)

t

+ ∇ · (α

1

ρ

1

E

1

~u

1

+ α

1

p

1

~u

1

) =

p

0

2

)

t

+ ˙

m

E

0

+ F

d

~u

0

+

Q

0

2

ρ

2

)

t

+ ∇ · (α

2

ρ

2

~u

2

) = − ˙

m

2

ρ

2

~u

2

)

t

+ ∇ · (α

2

ρ

2

~u

2

⊗ ~u

2

) + ∇(α

2

p

2

) =

p

0

∇α

2

− ˙

m

~u

0

− F

d

2

ρ

2

E

2

)

t

+ ∇ · (α

2

ρ

2

E

2

~u

2

+ α

2

p

2

~u

2

) = −

p

0

2

)

t

− ˙

m

E

0

− F

d

~u

0

Q

0

2

)

t

+

~u

0

· ∇α

2

= µ (p

2

− p

1

)

α

k

= V

k

/V

,

p

k

= ρ

k

R

k

T

k

,

E

k

= e

k

+ ~u

2

k

/2

, for

k = 1, 2

ρ =

P

k

α

k

ρ

k

,

p =

P

k

α

k

p

k

(14)

Two-Phase Flow Model (Cont.)

Model is derived using

averaging theory

of Drew

(Theory of Multicomponent Fluids, D.A. Drew & S. L.

Passman, Springer, 1999)

Namely, introduce

indicator function

χ

k

as

χ

k

(M, t) =

(

1

if

M

belongs to the phase

k

0

otherwise

Denote

< ψ >

as

volume averaged

for flow variable

ψ

,

hψi =

1

V

Z

V

ψ dV

Gauss

&

Leibnitz

rules

(15)

Two-Phase Flow Model (Cont.)

Take product of each balance law with

χ

k

, and perform

averaging process. In case of

mass conservation

equation,

for example, we have

k

ρ

k

i

t

+ ∇· < χ

k

ρ

k

~u

k

>= hρ

k

k

)

t

+ ρ

k

~u

k

· ∇χ

k

i

Since

χ

k

is governed by

k

)

t

+

~u

0

· ∇χ

k

= 0,

yielding the averaged equation for mass

k

ρ

k

i

t

+ ∇· < χ

k

ρ

k

~u

k

>= hρ

k

(~u

k

~u

0

)

· ∇χ

k

i

Analogously, we may derive averaged equation for

momentum, energy, & entropy (not shown here)

(16)

Two-Phase Flow Model (Cont.)

In summary,

k

i

t

+ h~u

k

· ∇χ

k

i = h(~u

k

~u

0

)

· ∇χ

k

i

k

ρ

k

i

t

+ ∇· < χ

k

ρ

k

~u

k

>= hρ

k

(~u

k

~u

0

)

· ∇χ

k

i

k

ρ

k

~u

k

i

t

+ ∇· < χ

k

ρ

k

~u

k

⊗ ~u

k

> +∇ hχ

k

p

k

i = hp

k

∇χ

k

i +

k

~u

k

(~u

k

~u

0

)

· ∇χ

k

i

k

ρ

k

E

k

i

t

+ ∇· < χ

k

ρ

k

E

k

~u

k

+ χ

k

p

k

~u

k

>= hp

k

~u

k

· ∇χ

k

i +

k

E (~u

k

~u

0

)

· ∇χ

k

i

Note existence of various

interfacial source terms

, &

modelling of these terms is essential and is a difficult issues

of multiphase flows

(17)

Baer-Nunziato Two-Phase Flow Model

Baer & Nunziato (J. Multiphase Flow 1986)

1

ρ

1

)

t

+ ∇ · (α

1

ρ

1

~u

1

) = 0

1

ρ

1

~u

1

)

t

+ ∇ · (α

1

ρ

1

~u

1

⊗ ~u

1

) + ∇(α

1

p

1

) =

p

0

∇α

1

+ λ(~u

2

− ~u

1

)

1

ρ

1

E

1

)

t

+ ∇ · (α

1

ρ

1

E

1

~u

1

+ α

1

p

1

~u

1

) =

p

0

2

)

t

+ λ

~u

0

· (~u

2

− ~u

1

)

2

ρ

2

)

t

+ ∇ · (α

2

ρ

2

~u

2

) = 0

2

ρ

2

~u

2

)

t

+ ∇ · (α

2

ρ

2

~u

2

⊗ ~u

2

) + ∇(α

2

p

2

) =

p

0

∇α

2

− λ(~u

2

− ~u

1

)

2

ρ

2

E

2

)

t

+ ∇ · (α

2

ρ

2

E

2

~u

2

+ α

2

p

2

~u

2

) = −

p

0

2

)

t

− λ

~u

0

· (~u

2

− ~u

1

)

2

)

t

+

~u

0

· ∇α

2

= µ (p

2

− p

1

)

α

k

= V

k

/V

: volume fraction (

α

1

+ α

2

= 1

),

ρ

k

: density,

~u

k

: velocity,

p

k

: pressure,

E

k

= e

k

+ ~u

2

k

/2

: specific total

(18)

Baer-Nunziato Model (Cont.)

p

0

&

~u

0

: interfacial pressure & velocity

Baer & Nunziato (1986)

p

0

= p

2

,

~u

0

= ~u

1

Saurel & Abgrall (1999)

p

0

=

P

2

k=1

α

k

p

k

,

~u

0

=

P

2

k=1

α

k

ρ

k

~u

k



P

2

k=1

α

k

ρ

k

λ

&

µ

(> 0):

relaxation parameters

that determine rates at

which velocities and pressures of two phases reach

equilibrium

(19)

Mathematical Structure

Balance Laws with non-conservative products

Stiff relaxation term

Complicated Riemann problem solutions when the

model system is hyperbolic

Reduced model when

λ → 0

,

µ → 0

or

λ → ∞

,

µ → ∞

is

(20)

Reduced Two-Phase Flow Model

Murrone & Guillard (JCP 2005)

Assume

λ = λ

&

µ = µ

,

λ

= O(1)

&

µ

= O(1)

Use

formal asymptotic analysis

to show that when

ε → 0

leading order approximation of two-phase flow

model takes

1

ρ

1

)

t

+ ∇ · (α

1

ρ

1

~u) = 0

2

ρ

2

)

t

+ ∇ · (α

2

ρ

2

~u) = 0

(ρ~u)

t

+ ∇ · (ρ~u ⊗ ~u) + ∇p = 0

(ρE)

t

+ ∇ · (ρE~u + p~u) = 0

2

)

t

+ ~u · ∇α

2

= α

1

α

2

ρ

1

c

2

1

− ρ

2

c

2

2

P

2

k=1

α

k

ρ

k

c

2

k

!

∇ · ~u

(21)

Reduced Two-Phase Flow Model (Cont.)

Some remarks about the reduced model:

1

. It can be shown

entropy

of each phase

S

k

now satisfies

DS

k

Dt

=

∂S

k

∂t

+ ~u · ∇S

k

= 0,

for

k = 1, 2

2

. Since product

α

1

α

2

is expected to be small, Shyue (JCP

1998), Allaire, Clerc, & Kokh (JCP 2002) proposed to

use

2

)

t

+ ~u · ∇α

2

= 0

and now phase entropies satisfy

 ∂p

1

∂S

1



ρ

1

DS

1

Dt

 ∂p

2

∂S

2



ρ

2

DS

2

Dt

= ρ

1

c

2

1

− ρ

2

c

2

2

 ∇ · ~u

(22)

Reduced Two-Phase Flow Model (Cont.)

3

. Equation of State:

p = p(α

2

, α

1

ρ

1

, α

2

ρ

2

, ρe)

4

. Isobaric Closure:

p

1

= p

2

= p

For a class of EOS, explicit formula for

p

is available

(examples are given next)

For complex EOS, from

2

, ρ

1

, ρ

2

, ρe)

in model

equations we recover

p

by solving

p

1

1

, ρ

1

e

1

) = p

2

2

, ρ

2

e

2

)

2

X

k=1

(23)

Reduced Two-Phase Flow Model (Cont.)

Polytropic Ideal Gas:

p

k

= (γ

k

− 1)ρ

k

e

k

ρe =

2

X

k=1

α

k

ρ

k

e

k

=

2

X

k=1

α

k

p

γ

k

− 1

=⇒

p

= ρe



2

X

k=1

α

k

γ

k

− 1

van der Waals Gas:

p

k

= (

γ

k

1

1

−b

k

ρ

k

)(ρ

k

e

k

+ a

k

ρ

2

k

) − a

k

ρ

2

k

ρe =

2

X

k=1

α

k

ρ

k

e

k

=

2

X

k=1

α

k

 1 − b

k

ρ

k

γ

k

− 1



(

p

+ a

k

ρ

2

k

) − a

k

ρ

2

k



=⇒

p

=

"

ρe −

2

X

k=1

α

k

 1 − b

k

ρ

k

γ

k

− 1

− 1



a

k

ρ

2

k

#



2

X

k=1

α

k

 1 − b

k

ρ

k

γ

k

− 1



(24)

Reduced Two-Phase Flow Model (Cont.)

Two-Molecular Vibrating Gas:

p

k

= ρ

k

R

k

T (e

k

)

,

T

satisfies

e =

RT

γ − 1

+

RT

vib

exp T

vib

/T

 − 1

As before, we now have

ρe =

2

X

k=1

α

k

ρ

k

e

k

=

2

X

k=1

α

k

 ρ

k

R

k

T

k

γ

k

− 1



+

ρ

k

R

k

T

vib

,k

exp



T

vib

,k

/T

k



− 1

=

2

X

k=1

α

k



p

γ

k

− 1



+

p

vib

,k

exp



p

vib

,k

/

p



− 1

(

Nonlinear

)

(25)

Reduced Two-Phase Flow Model (Cont.)

5

. Model system is

hyperbolic

under suitable

thermodynamic stability condition (see below)

6

. It is easy to write the model system in unified

coordinates

7

. In the model

α

2

6= 0

or

1

, otherwise, either

ρ

2

or

ρ

1

is not

able to recover from

α

2

ρ

2

or

α

1

ρ

1

8

. This formulation of model equation would not work

when one fluid component is adiabatic, but the other

fluid component is not

9.

Surely, there are other set of model systems proposed

(26)

Thermodynamic Stability

Fundamental derivative of gas dynamics

G = −

V

2

(∂

2

p/∂V

2

)

S

(∂p/∂V )

S

,

S :

specific entropy

Assume fluid state satisfy

G > 0

for thermodynamic

stability,

i.e.

,

(∂

2

p/∂V

2

)

S

> 0

&

(∂p/∂V )

S

< 0

(∂

2

p/∂V

2

)

S

> 0

means

convex EOS

(∂p/∂V )

S

< 0

means

real speed of sound

, for

c

2

=

 ∂p

∂ρ



S

= −V

2

 ∂p

∂V



S

> 0

(27)

Thermodynamic Stability (Cont.)

When

G ≤ 0

, there exist

nonclassical nonlinear wave

&

phase transition

(active research area)

0.5 1 1.5 2 2.5 3 0.6 0.7 0.8 0.9 1 1.1 1.2 G = 0 G < 0 Saturation Curve Liquid−Vapor Coexistence Region

G > 0 C T = 1 T > 1 Vapor Region Liquid Region

p/

p

c

V /V

c

(28)

Basic Numerical Approaches

Method Based on Eulerian Grid

Diffuse-interface type

Sharp-interface type

Method Based on Lagrangian Grid

Method Based on Unified Coordinates

Diffuse-interface type

(29)

Benchmark Test: Interface Only

Initial Condition

ρ

u

p

γ

L

=

1

1

1

1.4

&

ρ

u

p

γ

R

=

0.125

1

1

1.2

Exact Solution

ρ

u

p

γ

(x, t) =

ρ

0

(x − t)

1

1

γ

0

(x − t)

(30)

B

en

ch

m

a

rk

T

es

t

(C

o

n

t.)

E

u

le

ria

n

G

rid

C

o

m

p

u

ta

tio

n

s

:

F

irs

t

o

rd

e

r

re

s

u

lts

2.5 4.0 5.5 2.5 4.0 5.5 2.5 4.0 5.5 2.5 4.0 5.5 1.0 1.2 1.0 1.2 1.0 1.2 1.0 1.2 1.00 1.06 1.00 1.06 1.00 1.06 1.00 1.06 0.0 0.4 0.8 1.20 1.30 1.40 0.0 0.4 0.8 1.20 1.30 1.40 0.0 0.4 0.8 1.20 1.30 1.40 0.0 0.4 0.8 1.20 1.30 1.40

ρ

γ

ρ

/(

γ

1)

γ

1/

1)

x

x

x

x

ρe

ρe

ρe

ρe

u

u

u

u

p

p

p

p

γ

γ

γ

γ

W o rk s h o p o n C F D b a s e d o n U n ifi e d C o o rd in a te s – T h e o ry & A p p lic a tio n s , F e b . 2 4 -2 5 , 2 0 0 6 – p . 2 4 /3 4

(31)

B

en

ch

m

a

rk

T

es

t

(C

o

n

t.)

E

u

le

ria

n

G

rid

C

o

m

p

u

ta

tio

n

s

:

H

ig

h

re

s

o

lu

tio

n

re

s

u

lts

2.5 4.0 5.5 2.5 4.0 5.5 2.5 4.0 5.5 2.5 4.0 5.5 0.95 1.10 1.25 0.95 1.10 1.25 0.95 1.10 1.25 0.95 1.10 1.25 1.00 1.06 1.00 1.06 1.00 1.06 1.00 1.06 0.0 0.4 0.8 1.20 1.30 1.40 0.0 0.4 0.8 1.20 1.30 1.40 0.0 0.4 0.8 1.20 1.30 1.40 0.0 0.4 0.8 1.20 1.30 1.40

ρ

γ

ρ

/(

γ

1)

γ

1/

1)

x

x

x

x

ρe

ρe

ρe

ρe

u

u

u

u

p

p

p

p

γ

γ

γ

γ

W o rk s h o p o n C F D b a s e d o n U n ifi e d C o o rd in a te s – T h e o ry & A p p lic a tio n s , F e b . 2 4 -2 5 , 2 0 0 6 – p . 2 5 /3 4

(32)

Benchmark Test: Shock-Bubble Interaction

(33)

Benchmark Test: Shock-Bubble Interaction

(34)

Benchmark Test: Shock-Bubble Interaction

(35)

Benchmark Test: Shock-Bubble Interaction

(36)

Benchmark Test: Shock-Bubble Interaction

(37)

Benchmark Test: Shock-Bubble Interaction

(38)

Benchmark Test: Shock-Bubble Interaction

(39)

Benchmark Test: Shock-Bubble Interaction

(40)

Benchmark Test: Shock-Bubble Interaction

(41)

Shock-Bubble Interaction (cont.)

Approximate locations of interfaces

time=55

µ

s

air

R22

time=115

µ

s

time=135

µ

s

time=187

µ

s

time=247

µ

s

time=200

µ

s

(42)

Shock-Bubble Interaction (cont.)

Comparison of the computed velocities obtained using

our tracking and non-tracking algorithms with those

reported in the literature

Velocity (m/s)

V

s

V

R

V

T

V

ui

V

uf

V

di

V

df

Haas & Sturtevant

415

240

540

73

90

78

78

Quirk & Karni

420

254

560

74

90

116

82

Our result (tracking)

411

243

538

64

87

82

60

(43)

Shock-Bubble Interaction 3D

(44)

Shock-Bubble Interaction (cont.)

Because of the complication in topological structure of

interface, it is not clear how to impose the condition

D

Q

η

Dt

= 0

(45)

Supersonic NACA0012 over Heavier Gas

Unified Coordinates Computations

0

1

2

3

−1.5

−1

−0.5

0

0.5

1

1.5

Grid system

0

1

2

3

−1.5

−1

−0.5

0

0.5

1

1.5

Density

0

1

2

3

−1.5

−1

−0.5

0

0.5

1

1.5

Pressure

a)

(46)

Supersonic NACA0012 over Heavier Gas

Unified Coordinates Computations

0

1

2

3

−1.5

−1

−0.5

0

0.5

1

1.5

Grid system

0

1

2

3

−1.5

−1

−0.5

0

0.5

1

1.5

Density

SF

6

air

0

1

2

3

−1.5

−1

−0.5

0

0.5

1

1.5

Pressure

b)

(47)

Supersonic NACA0012 over Heavier Gas

Unified Coordinates Computations

0

1

2

3

−1.5

−1

−0.5

0

0.5

1

1.5

Grid system

0

1

2

3

−1.5

−1

−0.5

0

0.5

1

1.5

Density

SF

6

air

c)

0

1

2

3

−1.5

−1

−0.5

0

0.5

1

1.5

Pressure

(48)

Supersonic NACA0012 over Heavier Gas

Eulerian Grid Computations

(49)

Supersonic NACA0012 over Heavier Gas

Eulerian Grid Computations

(50)

Supersonic NACA0012 over Heavier Gas

Eulerian Grid Computations

(51)

Supersonic NACA0012 over Heavier Gas

Eulerian Grid Computations

(52)

Supersonic NACA0012 over Heavier Gas

Eulerian Grid Computations

(53)

Supersonic NACA0012 over Heavier Gas

Eulerian Grid Computations

(54)

2

Phase Shock over Cylinder

Eulerian Grid Computations

(55)

2

Phase Shock over Cylinder

Eulerian Grid Computations

(56)

2

Phase Shock over Cylinder

Eulerian Grid Computations

(57)

2

Phase Shock over Cylinder

Eulerian Grid Computations

(58)

2

Phase Shock over Cylinder

Eulerian Grid Computations

(59)

2

Phase Shock over Cylinder

Eulerian Grid Computations

(60)

Final Remarks

Potential use of unified coordinates approach in multiphase

flow problems are:

Simple topological structure of interfaces

Existence of (fixed or moving) boundary

Use as a body-fitted grid generation tool

Use in a space-marching (flow-generated grid)

computations

(61)

Final Remarks

Potential use of unified coordinates approach in multiphase

flow problems are:

Simple topological structure of interfaces

Existence of (fixed or moving) boundary

Use as a body-fitted grid generation tool

Use in a space-marching (flow-generated grid)

computations

I am currently writting a unified coordinates code with the

state-of-the-art numerical method included in

2

D. The code

(62)

參考文獻

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