Institute for Applied Sustainable Science, Engineering & Technology

Roland Schmehl

Flow Problem Analysis in Oil & Gas Industry Conference

Rotterdam, 11 January 2011

Deformation and Secondary Atomization of Droplets in Technical Two-Phase Flows

Slide 1
 Roland Schmehl Outline

• Introduction
• Basics
• Empirical description
• Normal Mode Analysis
• Nonlinear deformation analysis
• Potential Theory Breakup model
• Motion of deformed droplets
• Validation of deformation models
• Modeling of droplet breakup
• Validation of breakup models
• Summary

Slide 2
 Introduction
Roland Schmehl Droplet breakup in premix zone

Spherical droplet

Subsequent breakup Dispersion

Bag breakup
Bag formation
Droplet deformation
Sheet breakup

1mm

Air assisted pressure swirl atomizer Liquid: Tetradecane D0 = 60 µm We0 ≈ 15

Slide 3
 Basics
Roland Schmehl Deformation and breakup phenomena

Low relative velocities Moderate to high relative velocities (top to bottom)

Shape oscillations
Bag breakup

Bag-plume breakup

Forced deformations

Plume-sheet breakup

Sheet-thinning breakup

Image source: Wiegand (1987) Image source & terminology: Guildenbecher (2009)

Slide 4
 Basics
Roland Schmehl Forces acting on and in the droplet

Surface tension Inertial forces

x2

Od

x1
x3
vrel

Aerodynamic forces Viscous forces

Slide 5
 Basics
Roland Schmehl Model mechanisms

Moderate velocities High velocities Extremly high velocities

Transverse deformation by aero- Superposed separation of liquid Superposed hydrodynamic

dynamic pressure distribution by aerodynamic shear forces instability of front surface

Slide 6
 Basics
Roland Schmehl Dimensional analysis

Non-dimensional numbers

ρ v2rel D0
We = Weber number
σ
vrel D0 √
Redef = ρ ρd Reynolds number of deformational flow
µd
 √ 
µd  We 
On = √ Ohnesorge number = 
ρd D0 σd Redef

tv∗ t∗
tσ∗
tµ∗ Characteristic times
r
∗ ρd D0
t = Pressure distribution ↔ Inertia forces
ρ vrel
s
∗
D30 ρd
tσ = Surface tension ↔ Inertia forces
σ
µd
tµ∗ = Pressure distribution ↔ Dissipation
ρ v2rel
D0
tv∗ = Flow around droplet
vrel

Slide 7
 Basics
Roland Schmehl Influence of aerodynamic loading

Droplet in shock tube flow

We

4 Droplet in free fall

Droplet in premix module
Droplet in rocket engine preflow
2

0
0 5 10 15 20 25 30 35 40 45 50 55 60 65 70
T σ = t/tσ∗

Slide 8
 Basics
Roland Schmehl Classification of numerical models

Empirical description + Arbitrary deformations

+ Simple implementation
Correlations and similarity laws for − Limited to specific loading scenarios
description of droplet deformation. − No dynamic response to flow variations
> Limited use for modeling

Simple mechanistic models + Specific small & large deformations

+ Description of nonlinear effects
Deformation kinematics reduced to single + Low computational effort
degree of freedom: Droplet shapes − Fitting of empirical constants required
approximated by spheroids. > Suitable for modeling

Normal mode analysis + Small but arbitrary deformations

+ Low computational effort
Modal discretization of aerodynamic − Neglects nonlinear effects
pressure distribution, kinematics and − Neglects effect of aerodynamic shear
dynamics of deformation. > Suitable for modeling

Direct numerical simulation + Arbitrary deformation

+ Includes all forces
Spatial and temporal discretization of the − Extremely high computational effort
Navier-Stokes equations in both phases. − Small scale processes problematic
> Can not be used for modeling

Slide 9
 Empirical description
Roland Schmehl Load-based classification: On-We diagram

103

Redef ,0 = 100 10 1
shear breakup

102
transitional breakup
bag-plume breakup
bag breakup
We0

101
(oscillatory breakup) deformation
shape oscillations > 20%

deformation 10-20%
0
10
deformation 5-10%
Krzeczkowski (1980)
Hsiang & Faeth (1995)
deformation < 5% ρd /ρ = 580 − 12000
Re0 = 240 − 16000
10-1 -4
10 10-3 10-2 10-1 100 101 102 103
On
Slide 10
 Empirical description
Roland Schmehl Load-based classification: We-WeRe−0.5 diagram

Atmospheric data: Hinze (1955), Krzeczkowski (1980), Hsiang & Faeth (1995), Vieille (1995), Dai & Faeth (2001), Schmelz (2002).
Low pressure data: Zerf (1998). High pressure data: Vieille (1998).

4
bag breakup
3
bag-plume breakup
transitional breakup
2 shear breakup −2
= 10
On g

1
WeRe−0.5

−3
10

−4
10
p ≈ 0.1 MPa
p ≪ 0.1 MPa
p > 0.1 MPa

10 20 30 40 50 60 70 80 90 100 110
We0
Slide 11
 Empirical description
Roland Schmehl Temporal stages

Data source: Krzeczkowski (1980), Dai & Faeth (2001)

8
bag bag-plume plume-shear shear breakup
7
breakup
Tb
6
plume/core droplet larger fragments
5 complex
T = t/t∗

breakup
plume
4 ring

bag separation at equator

3 plume
breakup
breakup
peripheral bags Ti
2 plume
bag
ligament formation at equator
bump
1 T hmin

transverse distortion + flattening

0
10 20 30 40 50 60 70 80 90 100
We0
Slide 12
 Empirical description
Roland Schmehl Global secondary droplet properties

 √ !2 
1  1 x − µ  D0.5
Root-normal distribution: f (x) = √ exp −  with = 1.2, µ = 1.0, σ = 0.22.
2σ 2πx 2 σ D32

1 1

0.8 0.8

0.6 0.6

V/V0
V/V0

0.4 bag breakup 0.4 bag-plume breakup

F(x) F(x)
We0=15 We0 =25
0.2 0.2

0 0
0 1 2 3 0 1 2 3
x = D/D0.5 x = D/D0.5

Data sources: Hsiang & Faeth (1992) and Chou & Faeth (1998).
Slide 13
 Empirical description
Roland Schmehl Global secondary droplet properties

D32
Sauter diameter: = 6.2 On0.5 We−0.25 = Re−0.5
def , On < 0.1 , We0 < 103.
D0

1 1

0.8 0.8

0.6 0.6

V/V0
V/V0

0.4 transitional breakup 0.4 shear breakup

F(x) F(x)
Fred (x) Fred (x)
0.2 We0=40 0.2 We0 =125
We0=70 We0 =250
We0 =375
0 0
0 1 2 3 0 1 2 3
x = D/D0.5 x = D/D0.5

Data sources: Hsiang & Faeth (1992) and Chou & Faeth (1998).
Slide 14
 Empirical description
Roland Schmehl Scondary droplet properties - differentiated by origin

1 1

0.8 0.8

0.6 ring 0.6 ring

plume plume

D32 /D0
V/V0

bag core
0.4 core 0.4 global

0.2 0.2

0 0
10 20 30 40 50 60 10 20 30 40 50 60
We0 We0

Data source: Dai & Faeth (2001)

Slide 15
 Normal Mode Analysis
Roland Schmehl Langrangian description of flow kinematics

v
vrel

u
U

r Od
P

r0 r0d
ud
ud

g t
O0

Slide 16
 Normal Mode Analysis
Roland Schmehl Linear normal mode decomposition

x2

δ
r
a, vrel x3 θ

n=0 n=1 n=2 n=3 n=4 n=5

Decomposition of an arbitrary axisymmetric droplet shape into orthogonal deformation modes

Slide 17
 Normal Mode Analysis
Roland Schmehl Derivation of dynamic deformation equations

Linearized Navier-Stokes equations Series expansion (v = ∇ψ)

∞
1 ∂ 2 1 ∂ ρv2rel X
(r vr ) + (vθ sin θ) = 0 p s − p∞ = Cn Pn (cos θ)
r2 ∂r r sin θ ∂θ 2
n=0
∞
ρd v2rel X
" #  r n
∂vr ∂p 2 2 2 ∂
ρd =− + µd ∇ vr − 2 vr − 2 (vθ sin θ) + ρd a cos θ p = βn Pn (cos θ)
∂t ∂r r r sin θ ∂θ 2 R
n=0
" # ∞  r n−1
∂vθ ∂p 2 ∂vr 1 X
ρd =− + µd ∇2 vθ + 2 − vθ − ρd a sin θ δr = R αn Pn(cos θ)
∂t r∂θ r r∂θ r2 sin θ R
n=0

Deformation equations (n ≥ 2) formulated on nondimensional time scale T σ = t/tσ∗

d 2 αn dαn
+ 8n(n − 1) On + 8n(n − 1)(n + 2) αn = −2 nCn We (Hinze 1948)
dT σ2 dT σ

d 2 αn dαn
+ 8(2n + 1)(n − 1) On + 8n(n − 1)(n + 2) αn = −2 nCn We (Isshiki 1959)
dT σ2 dT σ

{ Viscous term different in both theories !

Slide 18
 Normal Mode Analysis
Roland Schmehl Pressure distribution on spherical surface

1.5
Re=50, Tomboulides und Orszag (2001)
Re=100, Tomboulides und Orszag (2001)
Re=500, Bagchi et al. (2001)
1
Re=104, Constantinescu und Squires (2000)
Re=1.62 · 105, Achenbach (1972)
potential flow
0.5
p s − p∞
ρ v2rel /2

-0.5

-1

-1.5
0 30 60 90 120 150 180
θ [◦ ]
Slide 19
 Normal Mode Analysis
Roland Schmehl Modal representation of pressure boundary condition

1.2
transition lam.-turb.
wake unsteady
1
wake asymmetric
flow separation
0.8 rigid sphere,
in uniform flow
0.6 C2
C3
Cn

C4
0.4 C5

0.2

-0.2 -1 0 1 2 3 4 5
10 10 10 10 10 10 10
Re
Slide 20
 Normal Mode Analysis
Roland Schmehl Stationary deformation

Water droplet in vertical air flow (Pruppacher et al. 1970)

D0 [mm]: 8.00 7.35 5.80 5.30 3.45 2.70

vrel [m/s]: 9.20 9.20 9.17 9.13 8.46 7.70
We: 11.1 10.2 8.0 7.3 4.1 2.6
Re: 4723 4340 3413 3105 1873 1334

Slide 21
 Normal Mode Analysis
Roland Schmehl Deformation from shock loading

Water droplet in horizontal shock tube flow: D0 = 1mm, On = 3.38 · 10−3

We: 1 5 12
Redef : 296 662 1025
Re: 491 1099 1701
vrel : 7.7 m/s 17.2 m/s 26.68 m/s

Slide 22
 Nonlinear deformation analysis
Roland Schmehl Motivation

Linear analysis: First order theory { Forces and displacements at undeformed droplet

Nonlinear analysis: Second order theory { Forces and displacements dependend on deformation

Nonlinear phenomena:
• Mode coupling, excitation of higher modes
• Oscillation dynamics depends on amplitude (frequency and period)
• Nonlinear resonance effects
• Hydrodynamic instabilities

Slide 23
 Nonlinear deformation analysis
Roland Schmehl Kinematics and basic equations

x2 x2

y
y s

ζ
−1
0
1
x3 x3
vrel x1 x1 ∂x3
ζ=0 : = 1, v s = v s,max
∂s
∂x3
ζ = ±1 : = 0, vs = 0
∂s

Dynamic equilibrium of mechanical energy contributions

Z I Z
ρd d dS
v2dV + σ = − p sv · ndS − Φ dV =⇒ F(y, ẏ, ÿ) = 0
2 dt V dt S V

Slide 24
 Potential Theory Breakup model
Roland Schmehl Energy contributions

Potential energy of surface: polynomial approximation

9.98y3 − 30.34y2 + 33.94y − 13.58 ,


0.5 < y < 1 ,
dS dS dy 1 dS



σ = σ , = 

dt dy dt S 0 dy 
 0.67y3 − 4.01y2 + 9.21y − 5.67 ,

1 ≤ y < 2.3 .

Kinetic energy: viscous potential flow

Z  ! 2 !2 
ρd d 8 1
 2 d y 2 dy  dy
v2 dV = πρd R5  1 + 6 −
y dt2 y7 dt  dt

2 dt V 5 3

Viscous dissipation: viscous potential flow

Z Z !2 !2
∂v2 1 dy
Φ dV = 12µd dV = 16πR3µd
V V ∂x2 y dt

Slide 25
 Potential Theory Breakup model
Roland Schmehl Work performed by aerodynamic forces

Velocity potential on surface: stationary external flow

2 artanh e
 !
 1 − e
2 2 −1 , y<1,



e

2


 e
ψs = vrel x3 , γ0 = 

2 − γ0 

 2 p arcsin e
!
 2 , y>1.
 e2 1 − 1 − e



e

Pressure distribution on surface


 s : Surface coordinate
!2 !2
p s − p∞ ∂x3 ∂x3 1 − ζ2



= 1 − ∆pmax , = ,
ρ/2v2rel ∂s ∂s 1 − (1 − y6)ζ 2


 ζ : Non-dimensional axial coordinate


Total work performed by aerodynamic pressure forces


1 − e2" artanh e
#
2 4 (3 − e2)

−3 , y < 1



ρv2rel e
I Z +1 2 4

e
λ0 dy 1 − 4ζ + 3ζ


2πR3 ∆pmax

p s v · ndS = − , λ0 = dζ =

2 y dt 6 2 
−1 1 − (1 − y )ζ 2 " 3 − 2e2 arcsin e
 #
S 

 1 − e
 2 e4


 √ −3 , y > 1
1 − e2 e

Slide 26
 Potential Theory Breakup model
Roland Schmehl Nonlinearity of aerodynamic load term

1 2

0.9

0.8

0.7
1.5
λ0 , λ0 /y, C2 λ0 /y

0.6

0.5

C2
0.4

λ0 , exact 1
0.3
λ0 /y, exact
0.2 C2 = 2/3∆pmax , potential theory
C2 = 2/3∆pmax , CFD-simulation
0.1 C2λ0 /y, with C2 from CFD-simulation
C2λ0 /y, polynomial approximation
0 0.5
0.5 1 1.5 2
y

Slide 27
 Potential Theory Breakup model
Roland Schmehl Comparison of linear and nonlinear models

Taylor Analogy Breakup (TAB) model

d2y dy
+ 40 On + 64 (y − 1) = 2C2 We
dT σ2 dT σ

Potential Theory Breakup (PTB) model

!2
2 d2y
!
1 2 dy 1 dy 1 dS 15 C2 λ0
1+ 6 − + 40 On + 20 = We
3 y dT σ2 y7 dT σ y2 dT σ S 0 dy 4 y

Slide 28
 Motion of deformed droplets
Roland Schmehl Empirical description

Equation of motion h
dud π D2
md = ρ cD vrel vrel + md g h
dt 8 2y E=
2y
3
2.5
Exposed cross section of droplet
2
2
π D =π D20 y2
1.5
E
0
1
Aerodynamic drag coefficient

cD
0.25
cD = f cD,sphere + (1 − f ) cD,disc
0.5
−0.573 24 4 0.5
cD,sphere = 0.36 + 5.48 Re + , Re . 10
Re 0.75
64 1
cD,disk = 1.1 + E-based interpolation
πRe
Spheroid E = 0.5, exp.
f = 1 − E2
101 102 103 104
Re
Slide 29
 Motion of deformed droplets
Roland Schmehl Droplets falling into horizontal free jet flow

Wiegand (1987), experiment Normal Mode Analysis

Slide 30
 Motion of deformed droplets
Roland Schmehl Computed motion and deformation

-0.002

-0.004

-0.006

y [m]
-0.008

-0.01

-0.012

-0.014
Wiegand (1987)
Versuch 17-3W
-0.016

Slide 31
 Validation of deformation models
Roland Schmehl Effect of viscous damping on free shape oscillations

1.8
On a: 0.00707 Becker et al. (1994)
b: 0.0707 NLTAB3
1.6 c: 0.707 NM
a
1.4
c
1.2 b
E

0.8

0.6
0 2 4 √ 6 8 10 12
2 2 Tσ

1 + α2
Aspect ratio: E= , Nomal Mode Analysis
1 − 21 α2
1
E = 3, Spheroid-based models
y
Slide 32
 Validation of deformation models
Roland Schmehl Effect of increasing amplitude on free shape oscillations

1 1.2
On=0.0089
On=0.0139
0.98 On=0.0406
On=0.0631
1.1
0.96
prolate

∆T σ /∆T σ,0
ω/ω0

spheroid
0.94 NLTAB3 model:
1
On=0.0089
On=0.0139
0.92 On=0.0406 oblate
On=0.0631 spheroid

0.9 0.9
0 0.1 0.2 0.3 0.4 0 0.1 0.2 0.3 0.4
α2,0 α2,0

Frequency shift Asymmetry of oscillation period

Slide 33
 Validation of deformation models
Roland Schmehl Stationary deformation of droplets in free fall

1 10
experiment
correlation
NM 9
0.9
TAB
C2 = 4/3

0.8 8
E∞

ud,∞
0.7 7 experiment
0.7
cD,sphere
1.0 cD (Re, We)
0.6 4/3 6 NM model
C2 NLTAB3 mod.,
C2 = 4/3
0.5 5
0 1 2 3 4 5 6 7 8 0 1 2 3 4 5 6 7 8
D0 [mm] D0 [mm]

vrel prescribed coupled with droplet deformation

Slide 34
 Validation of deformation models
Roland Schmehl Maximum transverse distortion of droplets in shock tube flow

2.2

TAB, C2 = 2/3 yM
TAB, C2 = 1.15
2
TAB, C2 = 4/3
NM, D0 = 1 mm
NLTAB3 C2 = 1.15
1.8 PTB C2 = 1.15 yc
PTB C2λ0 /y, Polynom
Hsiang & Faeth (1992) Exp.
Hsiang & Faeth (1995) Exp.
ymax

1.6
Temkin & Kim (1980) Exp.
Dai & Faeth (2001) Exp.
Haywood et al. (1994) CFD
1.4 Leppinen et al. (1996) CFD
Hase (2002) CFD

1.2

1
0.5 1 2 3 4 5 7 9 11 13 15 17 19 21
We0
Slide 35
 Validation of deformation models
Roland Schmehl Deformation of droplet in shock tube flow

VOF method

NM model

1.15
VOF method, Hase (2004)
NM model
TAB model
output times
1.1
S /S 0

9.83
1.05
We
4.92

1
0 0.01 0.02 0.03 0.04 0.05 0.06 0.07 0.08 0.09 0.1
t [s]
Slide 36
 Validation of deformation models
Roland Schmehl Droplet falling through horizontal jet flow at We0 = 0.5

0 1.4
y0 =1.3
Test 7-6W y0 =1.0
-0.01 cD,sphere 1.2
cD (Re, We)
NLTAB3, y0=1.0

y
-0.02 NLTAB3, y0=1.3 1
NLTAB3, y0=1.5

-0.03 0.8
0 0.01 0.02
t
yd

-0.04 1.2 0.5

y0=1.3:
cD
-0.05 1 We 0.4

We
-0.06 cD 0.8 0.3
We0 = 0.5
-0.07 0.6 0.2
0 0.01 0.02 0.03 0.04 0.05 0 0.01 0.02
xd t

Trajectories in laminar core flow Trajectory data NLTAB3 model

Slide 37
 Validation of deformation models
Roland Schmehl Droplet falling through horizontal jet flow at We0 = 3.3

0 1.4
y0 =1.3
Test 10-1W
y0 =1.0
cD,sphere
-0.01 cD (Re, We) 1.2
NLTAB3, y0=1.0

y
NLTAB3, y0=1.3
-0.02 NM, y0=1.0 1
NM, y0=1.3

-0.03 0.8
0 0.005 0.01 0.015
t
yd

-0.04 4
y0=1.3:
0.7 cD
-0.05 We 3

We
cD
0.6
-0.06 2
We0 = 3.3 0.5
-0.07 1
0 0.01 0.02 0.03 0.04 0.05 0 0.005 0.01 0.015
xd t

Trajectories in laminar core flow Trajectory data NLTAB3 model

Slide 38
 Validation of deformation models
Roland Schmehl Droplet falling through horizontal jet flow at We0 = 11.8

0 2
y0 =1.3
We0 = 11.8 1.8 y0 =1.0
-0.01 1.6
1.4

y
-0.02 1.2
1
-0.03 0.8
0 0.002 0.004 0.006
t
yd

-0.04 0.9 12
Test 17-3W y0=1.3:
cD,sphere cD
0.8 10
-0.05 cD (Re, We) We
NLTAB3, y0=1.0

We
cD
0.7 8
NLTAB3, y0=1.3
-0.06 NM, y0=1.0
NM, y0=1.3 0.6 6
NM, y0=1.5
-0.07 0.5 4
0 0.01 0.02 0.03 0.04 0.05 0 0.002 0.004 0.006
xd t

Trajectories in laminar core flow Trajectory data NLTAB3 model

Slide 39
 Modeling of droplet breakup
Roland Schmehl Breakup criterion based on critical deformation

2.8
Leppinen et al. (1996), We0 = 2, LLT-C
2.6 Kim (1977), We0 = 12.6
Dai & Faeth (2001), We0 = 15
2.4 Dai & Faeth (2001), We0 = 20
y, NLTAB3
2.2 We0
y, empirical
20 yM
ymax , PTB
2
ymax , NLTAB3 15
ymax , TAB yc
1.8 13
y

disk- bag-
1.6
bulging expansion
10 dy dy
1.4 dT =0 dT = 3.2

1.2
2
1

0.8
0 0.5 1 1.5 2 2.5
T = t/t0∗

Slide 40
 Modeling of droplet breakup
Roland Schmehl Simulation of the On-We diagram

PTB, cD = cD (Re)
PTB, cD = cD (Re, A)
Hsiang & Faeth (1992), Exp.
Hsiang & Faeth (1995), Exp.
102 shear breakup We|y=1.8 = 69

multimode breakup We|y=1.8 = 30

ymax
We0

1.9
101 1.7
stability limit
ymax = 1.8

1.2

1.1
100
1.05 critical damping

10-3 10-2 10-1 100 101 102

On

Slide 41
 Modeling of droplet breakup
Roland Schmehl Setup of modeling framework

6
Empirical models
5

4
T

3
Dynamic boundary layer models
2

1
Dynamic deformation models
0
10 20 30 40 50 60 70 80 90 100
We0

Slide 42
 Validation of droplet breakup
Roland Schmehl Size distribution computed from differentiated model

We0 = 15 (bag breakup) We0 = 125 (shear breakup)

1 1

0.8 0.8

0.6 0.6

V/V0
V/V0

0.4 0.4
experiment experiment
experiment root-normal
0.2 root-normal 0.2 computed
computed

0 0
0 1 2 3 0 1 2 3
x = D/D0.5 x = D/D0.5

Data sources: Hsiang & Faeth (1992) and Chou & Faeth (1998).
Slide 43
 Validation of droplet breakup
Roland Schmehl Single droplet falling in horizontal free jet

• Air & Ethanol

• We = 68.5, On = 0.0076, Re = 4362
• Software: OpenFOAM & Ladrop
• Dispersion model switched off
• Experimental data:
Guildenbecher (2009)

Slide 44
 Validation of droplet breakup
Roland Schmehl Simulation using load-based breakup criterion

0
0
10
10
20
20

20
20
10
0 10
0

Slide 45
 Validation of droplet breakup
Roland Schmehl Simulation using deformation-based breakup criterion

0
0
10
10
20
20

20
20
10
0 10
0

Slide 46
 Validation of droplet breakup
Roland Schmehl Comparison of load- and deformation-based simulations

breakup for We > We0,c breakup for y > ymax

0 0

0
0

10 10
10 10
20 20
20 20

20 20
20 20
10 10
0 10 0 10
0 0

Slide 47
 Roland Schmehl Summary

Analytical models for description of linear and nonlinear deformation dynamics

Simple mechanistic approach for coupling of droplet deformation and motion

Empirical stability criteria, classification and kinematics of breakup process

Systematic validation and assessment of models based on fundamental test cases

Future: Test modelling framework within practical Euler-Lagrange simulations

Slide 48