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CEFRC3-6, 2014
CEFRC3-6, 2014
Blob
injection
model
L Ca
1
/ f(T )
2
Beale, 1999
RT Model
Kelvin-Helmoltz
Rayleigh Taylor
Linearized instability analysis
R/D
L/D
r=B0
=0et
KH Model
Spray Models
Nozzle flow/cavitation
Jet atomization
KH-RT
Drop breakup
Drop collision/coalescence
Drop drag
Multi-component fuel evaporation
Spray-wall impingement
Discrete drop
model
CEFRC3-6, 2014
Liu, 1993
dv '
t
dv
dt dt '
dv/dt = F 6 r g v 12 ( 43 r3 g ) 6r2 g 0
dt
t t'
General form
g U2
LV d dv / dt CD A f
{U / U}
2
24 Re d1 (1 Re d2 / 3 / 6), Re d 1000
Cd
Re d 1000
0.424,
2
3
l rd l rd 3 l rd2
Cd Cd , sphere (1 2.632 y )
4
CEFRC3-6, 2014
Gosman, 1981
Vortexstructure
u u u
St<<1
G(u)
4 / 3 k
3/ 2
exp(3 u / 4k)
St~1
Stokes #
tp l / u v
t e l / 2k / 3
l = C
3/ 4
3/ 2
St=te/tp
=l
t int min(t e ,t p )
5
CEFRC3-6, 2014
Wachters, 1966
U n2 d/2
We
Beyond We = 40 liquid
spreads into surface layer
At high temperatures
film boiling takes place
We 40
CEFRC3-6, 2014
Naber, 1988
p
y =- ln{1 - p (1 - exp( - b )}
b
where 0 < p <1 random number
exp( b ) +1
sin a =(
) /1 +(p / b ) 2
exp( b ) - 1
7
CEFRC3-6, 2014
Senecal, 1997
Lippert, 2000
B1 40
B1 3
B1 3
B1 40
We 40
3
2.5
2
1.5
1
m
e
a
s
u
r
e
d
(
N
a
b
e
r
e
t
a
l
.
)
p
r
e
d
i
c
t
e
d
(
p
r
e
s
e
n
t
)
0.5
m
e
a
s
u
r
e
d
(
B
o
o
t
h
)
p
r
e
d
i
c
t
e
d
(
p
r
e
s
e
n
t
)
00 0.5 1 1.5 2 2.5
tim
e(m
s)
radialpenetration(cm
)
destabilization B1 = 1.73
We 40
CEFRC3-6, 2014
Deng, 2014
gU 2
LVd dv / dt CD A f
{U / U } FSaff
2
FSaff 1.61 g d U-v Re g
Re g
1
min(
ho
1
,1)
d
Re L ,i
C WeL ,inj
g 2 du
d
g
dy
2
Ecrit
3,330
1/ 4
C
WeL ,i
LU inj2 d noz
CEFRC3-6, 2014
Deng, 2014
Hw
Rw
Rw
Rw
10
CEFRC3-6, 2014
Deng, 2014
Hw
Hw
Hw
11
CEFRC3-6, 2014
Drop Vaporization
Sirignano, 1999
Law, 1976-77
Aggarwal, 2000
Tinf
YR
Drop
Mass transfer with
surroundings: vaporization,
condensation, gas solubility
Y
R
Yinf
TR
r
12
CEFRC3-6, 2014
Amsden, 1989
Lefebvre, 1989
R dr / dt DBSh / (2 1r )
Y1
B (Y Y1 ) /(1 Y )
*
1
*
1
Sherwood number
1/ 2
d
Sh (2.0 0.6 Re
1/ 3
Sc
Y 1*
ln(1 B)
)
B
p
Y W1 / {W1 W0 (
1)}
pv (Td )
*
1
CEFRC3-6, 2014
Amsden, 1989
Lefebvre, 1989
4 3 &
d r cd Td 4 r 2 RL(Td ) 4 r 2Qd
3
Rate of heat conduction to drop from
T
Ranz-Marshall correlation
Qd (T Td ) Nu / 2 r
r Td
where
Nu (2.0 0.6 Re
1/ 2
d
ln(1 B )
Pr )
B
1/ 3
14
CEFRC3-6, 2014
Ra, 2003
Vaporization regimes
qo
qo
m&
m&
qi
qi
Td
Ts
Normal
evaporation
heating
Td
Ts
T
T
Tb
T
Tb
Ts
Td
Boiling
heating
Td
Ts
Normal
evaporation
cooling
Flash boiling
cooling
qo
qo
m&
m&
Tqamb
i
r
qi
Td
Ts
Ts
T
Td
Ts=Tb
Td
15
Td
Ts=Tb
r
CEFRC3-6, 2014
Vaporization regimes
Ra, 2003
Normal evaporation
energy balance
C P m
m L(Ts ) hi ,eff (Td Ts )
(T Ts )
2r C m [C ]( y y Fs ) Sh
exp o P A F
1
Nu
Nu
mass balance
y y F
m g m ln(1 BM ) g m ln(1 Fs
)
1 y Fs
Boiling evaporation (Tb from Clausius Clapeyron equation)
C P m
(T Tb )
2r C m [C ]( y 1) Sh
exp o P A F
1
Nu
Nu
m
(0 T 5)
hi ,eff , e eff t
e
(5 T 25)
e
Td
Ts
sh 0.76T 0.26
0.027T 2.33
13.8T 0.39
(25 T )
q
16
CEFRC3-6, 2014
diesel A
diesel B
Aromatic [%]
34
16
Sulfur [ppm]
10.5
7.3
Parafins [%]
33
42
Napthenes [%]
33
42
Olefin [%]
0.2
0.3
Cetane#
~43
~47
C/H ratio
7.014
6.393
1.6
50
Discrete gp(mwi)
1.4
gasoline composition
iso-octane approximation
1.2
1
30
0.8
Continuous fp(I)
0.6
0.4
20
10
0.2
0
50
100
150
200
250
molecular weight
17
40
CEFRC3-6, 2014
0
300
Lippert, 1997
Diesel
Gasoline
Ra, 2003
Discrete Multi-Component
G p ( I ) x F f p ( I ) xs ( I I s )
p
Ns
G p ( I ) x F ( I I F ) xs ( I I s )
s 1
continuous phase
Yi, 2001
Ra, 2003, 2009
F 1
discrete phase
s 1
I n f p ( I )dI
n
p
(n 0, 1, 2, )
n
n
[ f v ] [ f v v] I n J I dI S g
0
t
Assumed distribution function : - func
( I ) 1
(I )
f (I )
exp[
]
( )
, 2 2
18
[ yi ] [ yi v] ( Di yi ) s g ,i
t
[ y F ] [ y F v] ( D y F ) S g
t
CEFRC3-6, 2014
Ra, 2009
Mass fraction
198
0.6253
c12h26
170
0.0559
c16h34
226
0.3025
c18h38
254
0.0163
probabilty density
species
Diesel A
0.025
0.020
0.015
0.010
0.005
0.000
0
50
100
150
200
250
300
350
300
350
198
0.2376
0.012
ic8h18
114
0.0153
0.010
c10h22
142
0.0807
c12h26
170
0.1863
c16h34
226
0.1984
c18h38
254
0.2817
probabilty density
c14h30
Diesel B
0.008
0.006
0.004
0.002
0.000
0
19
50
100
150
200
250
CEFRC3-6, 2014
Ra, 2009
MW=196.06
0.0025
0.0120
0.0100
mass fraction
mass fraction
0.0020
0.0015
0.0010
0.0005
0.0080
0.0060
0.0040
0.0020
0.0000
0.0000
ic8h18
ic8h18
Diesel B
MWini=200
CEFRC3-6, 2014
Ra, 2009
Gasoline
Do=300 m
Vinj=100 m/s
2.0 ms after SOI
21
CEFRC3-6, 2014
Jiao, 2011
Fredenslund, 1975
For mixtures composed of polar components, both initial and final boiling points
in the distillation curve are not well predicted assuming Ideal Mixing (Raoults Law)
- misses the azeotrope behavior of the mixture.
xi
Pvap ,i
Pm
i xL ,i
H H
H - C - C - OH
H H
Differences
Differences in
in size
size
and
and shapes
shapes of
of the
the
molecules
molecules
Pvap ,i
Energy interactions
between functional
groups [3]
Pm
22
CEFRC3-6, 2014
23
Pfahl,1996
Jiao, 2011
CEFRC3-6, 2014
Jiao, 2011
lifetimesimulation
Drop- Droplet
evaporation
E10 @noUNIFAC
E10 @UNIFAC
0.008
0.006
80
0.004
0
Temperature [ C]
0.010
0.002
0.000
0.0
0.1
0.2
Time [s]
0.3
0.4
75
noUNIFAC
UNIFAC
70
65
60
150C
55
50
45
0.0
24
0.2
0.4
0.6
xethanol
0.8
CEFRC3-6, 2014
1.0
Andersen, 2010
Distillation curve
140
noUNIFAC
E00
E10
E20
E50
E85
E100
120
Temperature [ C]
Experiment
120
Temperature [ C]
140
Jiao, 2011
100
80
UNIFAC
E00
E10
E20
E50
E85
E100
100
80
Simulation
60
40
Simulation
0
20
40
60
80
Volume [%]
60
40
0
20
40
60
Volume [%]
25
80
100
CEFRC3-6, 2014
100
Anand, 2011
corrected
26
CEFRC3-6, 2014
Anand, 2011
27
CEFRC3-6, 2014
* Anand, 2011
Departure
from Raoults
law Non-ideal
vaporization
influences
heavy-end
of distillation
curve *
pi ,v xi ,v P
xi ,l i Psat ,i
28
CEFRC3-6, 2014
Anand, 2011
Batch distillation
modeled as
flash boiling droplet
Chemical classes
PC normal paraffins
IP iso-paraffins
MCP mono cyclo paraffins
DCP di-cycloparaffins
AB Alkyl benzenes
PA poly aromatics
29
CEFRC3-6, 2014
Abani, 2008
Coarse mesh:
Drop drag over-predicted
Fine mesh:
Drop coalescence underpredicted
4 mm
3mm
2 mm
1 mm
0.5 mm
0.25mm
30
CEFRC3-6, 2014
30
20
10
70
60
50
40
30
mesh=3mm, dtmax=1e-6s
mesh=2mm, dtmax=1e-6s
mesh=1mm, dtmax=1e-6s
experiment
20
10
0.5
1.0
1.5
2.0
Time (ms)
2.5
3.0
3.5
80
mesh=3mm, dtmax=1e-6s
mesh=2mm, dtmax=1e-6s
mesh=1mm, dtmax=1e-6s
experiment
40
0
0.0
80
0
0.0
50
INJ P=120bar
90
Wang, 2010
70
60
50
40
30
20
10
0
0.0
1.5
31
mesh=3mm, dtmax=1e-6s
mesh=2mm, dtmax=1e-6s
mesh=1mm, dtmax=1e-6s
experiment
CEFRC3-6, 2014
1.5
Naber, 1996
Siebers, 1998
32
CEFRC3-6, 2014
Wang, 2010
90
80
70
mesh=3mm, dtmax=1e-6s
mesh=2mm, dtmax=1e-6s
mesh=1mm, dtmax=1e-6s
Exp.-Liquid Penetration
Exp.-Vapor Penetration
100
90
Spray Tip Penetration (mm)
100
60
50
40
30
20
10
0
0.0
0.5
1.0
1.5
2.0
2.5
80
70
60
40
30
20
10
0
0.0
3.0
Time (ms)
mesh=2mm, dtmax=10e-6s
mesh=2mm, dtmax=5e-6s
mesh=2mm, dtmax=5e-7s
mesh=2mm, dtmax=2e-7s
Exp.-Liquid Penetration
Exp.-Vapor Penetration
50
0.5
1.0
1.5
2.0
2.5
Time (ms)
CEFRC3-6, 2014
3.0
L
iq
u
id
P
e
n
tra
io
n
L
e
n
g
th
(m
)
1
0
E
x
p
e
r
i
m
e
n
t
C
o
m
p
u
t
a
i
o
n
9
8
0
7
3
6
0
7
.
3
k
g
/
m
5
3
4
0
1
4
.
8
k
g
/
m
3
3
5
9
.
0
k
g
/
m
2
0
1
07
08
0T
9
0
1
0
1
0
1
2
0
1
3
0
e
m
p
e
ra
tu
re
(K
)
Juneja, 2004
: DF2
34
CEFRC3-6, 2014
Wang, 2014
800
15
22.8
150
850
13/15/17/21
7.6/15.2/
22.8/30.4
50/100/150
900
13/15/17/21
7.6/15.2/
22.8/30.4
50/100/150
Computational grid
1000
13/15/17/21
7.6/15.2/
22.8/30.4
50/100/150
1100
13/15/17/21
7.6/15.2/
22.8/30.4
50/100/150
1200
13/15/17/21
7.6/15.2/
22.8/30.4
50/100/150
Related sub-models
Phenomenon
Model
Spray breakup
KH-RT instability
Lift-off length
Evaporation
Discrete multicomponent
(DMC)
Turbulence
Onset of the
averaged OH
concentration
Combustion
SpeedChem
Ignition delay
Droplet collision
ROI model
Gas-jet model
Maxmium dT/dt
Maxmium dOH/dt
Soot formation
Multi-step phenomenological
35
CEFRC3-6, 2014
Wang, 2014
Ambient conditions
O2
0.0
N2
0.8971
CO2
0.0652
H2O
0.0377
Pressure
60.45 bar
Temperature
900 K
Density
22.8 kg/m3
Injector specifications
Type
Common-rail
Nozzle
Single-hole, 0.89
Nozzle diameter
0.084 mm (0.090mm)
Injection pressure
150 MPa
Injection duration
6.0 ms
13.77 mg
36
CEFRC3-6, 2014
Wang, 2014
Vishwanathan, 2010
37
CEFRC3-6, 2014
Wang, 2013
n-C12H26-PAH mechanism
104 species and 444 reactions
Reduced n-dodecane
mechanism
80 species and 299 reactions
Reduced PAH mechanism
42 species and 228 reactions1
PAH mechanism
PAH
mechanism
validation
A1 formation
C3H3+C3H3=C6H6
C3H3+C3H3=C6H5+H
C4H5+C2H2=C6H6+H
C4H3+C2H2=C6H5
Larger PAH formation
1. HACA sequence
2. Small radical and molecule
3. Addition reactions between
aromatic radicals and molecules
38
CEFRC3-6, 2014
Wang, 2013
Ignition delay1
JSR3
1. Narayanaswamy, 2014
2. Mz-Ahmed, 2012
3. Malewicki, 2013
39
CEFRC3-6, 2014
Wang, 2014
40
CEFRC3-6, 2014
900K
1000K
1100K
Wang, 2014
Skeen, 2013
1200K
Soot
ppm
1.2
20
Z(mm)
50
60
-10
0
R(mm)
10
30
0.6 40
Z(mm)
0.8
40
20
30
10
0.4 50
0.2
60
-10
0
R(mm)
10
0
14
10
12
20
10
30
40
6
4
50
60
-10
0
R(mm)
10
0
16
10
14
10
20
12
20
30
10
30
40
50
60
-10
0
R(mm)
41
10
20
15
10
40
Z(mm)
1.4
10
Z(mm)
Z(mm)
50
60
-10
0
R(mm)
10
CEFRC3-6, 2014
Wang, 2014
0
R(mm)
10
-10
8
6
40
60
Peak
16 nm
12
20
10
30
40
6
4
50
60
-10
0
R(mm)
10
10
10
30
-10
12
20
30
30
10
30
4
3
50
60
-10
0
0
R(mm)
10
1.5
60
-10
0
0
R(mm)
40
50
0.5
12
20
10
8
40
6
4
50
60
60
0
R(mm)
10
-10
0
R(mm)
-7
10
10
-4
x 10
5
20
30
1.5
50
0.5
60
0
R(mm)
10
-10
0
-7
x 10
16
10
14
0
R(mm)
10
0
-7
x 10
16
10
14
20
12
20
12
30
10
30
10
40
50
60
-10
40
60
-10
0
R(mm)
10
50
x 10
14
10
-10
-4
40
10
30
30
-10
-6
20
50
0
x 10
2
10
40
60
x 10
2.5
10
20
50
10
-5
14
0
R(mm)
10
Z(mm)
60
15
40
6
4
x 10
16
10
50
-7
10
0
R(mm)
30
20
0
x 10
14
Z(mm)
Dsoot
10
-10
Z(mm)
0
R(mm)
-6
Z(mm)
Z(mm)
60
x 10
8
40
50
-10
10
10
10
30
0
R(mm)
20
40
50
-7
20
60
40
50
x 10
10
12
Z(mm)
0.2
60
30
20
20
Z(mm)
40
0.4
50
A4
0.6
10
10
14
Z(mm)
Z(mm)
40
0.8
30
20
0
16
10
12
Z(mm)
30
-10
20
10
Z(mm)
20
Soot
ppm
10
0
14
Z(m m )
1.2
Z(mm)
10
0
7
0
R(mm)
42
10
40
Z(mm)
0
1.4
Z(mm)
50
60
-10
0
R(mm)
10
CEFRC3-6, 2014
Wang, 2014
Soot
Lift-off length
Lift-off
43
CEFRC3-6, 2014
Wang, 2014
10
10
10
20
30
20
Z(m m )
50
10
44
1
-10
1.4
1.2
30
1
0.8
40
Z(m m )
0.6
50
0.4
0.2
60
0
R(mm)
10
1.6
1.4
1.2
30
1
0.8
40
0.6
50
0.4
0.2
60
0
R(mm)
10
0
R(mm)
10
-6
20
-10
x 10
1.8
10
-10
60
10
Z(m m )
1.6
0
R(mm)
-6
20
-10
x 10
1.8
10
40
60
0
R(mm)
50
50
60
-10
30
40
20
30
40
Z(m m )
Z(m m )
-6
x 10
1.8
10
1.6
1.4
20
1.2
30
1
0.8
40
0.6
Z(m m )
50
0.4
0.2
60
-10
CEFRC3-6, 2014
0
R(mm)
10
Wang, 2010
Case B
(Late Injection, Low
Temperature)
Case C
(Long Ignition Delay,
High Temperature)
IMEP [bar]
3.9
4.1
4.5
1600
1600
1200
-22
-5
56
56
61
DOI [deg]
10
Peak Temperature
2200 K
2200 K
2700 K
O2 Concentration [Vol
%]
12.7
(with EGR)
12.7
(with EGR)
21
(without EGR)
45
CEFRC3-6, 2014
2007
(B) Low Temperature, Late Singh,
Injection
(A) Low
Injection
Liquid
andTemperature,
vapor fuelEarly
penetration
60
50
40
30
Wang, 2010
Exp
Exp Ave
1mm5e-6
1mm2e-6
1mm1e-6
1mm5e-7
2mm2e-6
3mm2e-6
20
10
0
-22
-21
-20
46
CEFRC3-6, 2014
Singh, 2007
Summary
Extensively validated spray models accurately capture the physics of
vaporizing sprays under engine conditions
Realistic fuels with non-ideal vaporization effects can be represented
Improved spray models provide consistent fuel distribution predictions, which
is a prerequisite for combustion modeling and engine optimization.
Spray predictions can be independent of mesh size and time step;
Recent experimental and modeling work can be accessed through the
Sandia Engine Combustion Network (ECN) http://www.sandia.gov/ecn/
Blue:
Liquid Scatter
Green:
UV Fluorescence
47
CEFRC3-6, 2014