Académique Documents
Professionnel Documents
Culture Documents
of
Diesel Spray Combustion
P A Niklas Nordin
i
CONTENTS
Contents
Papers v
Abstra t vi
A knowledgments ix
1 Introdu
tion 1
1.1 Motivation . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1
1.2 Turbulent Diesel Spray Combustion . . . . . . . . . . . . . . . . . . . . . . 1
1.3 Lagrangian Spray Cal
ulations . . . . . . . . . . . . . . . . . . . . . . . . . 2
1.4 The CFD
odes . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 3
1.5 Stru
ture of the Thesis . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 3
2 Governing Equations 4
2.1 The Gas (Eulerian) Phase . . . . . . . . . . . . . . . . . . . . . . . . . . . 4
2.1.1 The Continuity Equation . . . . . . . . . . . . . . . . . . . . . . . . 4
2.1.2 The Momentum Equation . . . . . . . . . . . . . . . . . . . . . . . 5
2.1.3 The Energy Equation . . . . . . . . . . . . . . . . . . . . . . . . . . 5
2.1.4 The Turbulen
e Equations . . . . . . . . . . . . . . . . . . . . . . . 6
2.1.5 The Chemistry Equations . . . . . . . . . . . . . . . . . . . . . . . 8
2.2 The Liquid (Lagrangian) Phase . . . . . . . . . . . . . . . . . . . . . . . . 9
2.2.1 The Equation of Motion . . . . . . . . . . . . . . . . . . . . . . . . 9
2.2.2 The Droplet Energy Equation . . . . . . . . . . . . . . . . . . . . . 10
2.2.3 The Droplet Mass Equation . . . . . . . . . . . . . . . . . . . . . . 11
2.2.4 The Atomization Model . . . . . . . . . . . . . . . . . . . . . . . . 13
2.2.5 The Breakup Model . . . . . . . . . . . . . . . . . . . . . . . . . . 13
2.2.6 The Collision Model . . . . . . . . . . . . . . . . . . . . . . . . . . 15
3 The Turbulen
e/Chemistry Intera
tion Model 17
3.1 Introdu
tion . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 17
3.2 Ba
kground . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 17
3.3 The Referen
e Spe
ies Te
hnique . . . . . . . . . . . . . . . . . . . . . . . 18
3.4 The Partially Stirred Rea
tor Con
ept . . . . . . . . . . . . . . . . . . . . 20
3.5 The PaSR Model: Observations and Impli
ations . . . . . . . . . . . . . . 25
4 Implementing a Lagrangian Representation of the Spray 29
4.1 Introdu
tion . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 29
4.2 Tra
king . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 29
ii
CONTENTS
7 Future Work 47
8 Summary of Papers 48
Numeri
al Evaluation of n-Heptane Spray Combustion at Diesel-like Conditions 48
Numeri
al Evaluation of Dual Oxygenated Fuel Setup for DI Diesel Appli
ation 48
Computer Evaluation of DI Diesel Engine Fueled with Neat Dimethyl Ether . . 48
Neat Dimethyl Ether: Is It Really Real Diesel Fuel of Promise? . . . . . . . . . 48
Evaluation of Ignition Quality of DME at Diesel Engine Conditions . . . . . . . 49
3-D Diesel Spray Simulations Using a New Detailed Chemistry Turbulent Com-
bustion Model . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 49
A Robust Fa
e-To-Fa
e Tra
king 50
Comment 52
Referen es 53
iii
Make everything as simple as possible, but
not simpler.
- Albert Einstein -
iv
Papers
This thesis is based on the work arried out in the following papers.
v
Abstra
t
This thesis illustrates the appli
ation of
omputational
uid dynami
s (CFD) to
turbulent rea
tive two-phase
ows in piston engines.
The fo
us of the thesis lies on numeri
al simulations of spray
ombustion phe-
nomena with an emphasis on the modeling of turbulen
e/
hemistry intera
tion ef-
fe
ts using a detailed
hemistry approa
h. The turbulen
e/
hemistry intera
tion
model a
ounts for the ee
ts of turbulent mi
ro-mixing on the
hemi
al rea
tion
rates. The models have been implemented in the KIVA3-V
ode [1, 2, 3℄ and su
-
essfully applied to spray
ombustion analysis in a
onstant volume and a DI Diesel
engine. The limitations and diÆ
ulties of representing the spray in a Lagrangian
fashion are also adressed.
Three dierent liquid fuels have been used in the simulations: n-heptane, methanol
and dimethyl ether (DME). Detailed and redu
ed
hemi
al me
hanisms have been
developed and validated for all these fuels and reasonable agreement between ex-
perimental data and numeri
al simulations has been obtained.
vi
Nomen
lature
When I use a word it means just what
I
hoose it to mean - neither more nor less.
- Humpty Dumpty
Latin Letters
Molar
on
entration mol=m3
CD Drag
oeÆ
ient
p Spe
i
heat at
onstant pressure J=kgK
l;d Liquid spe
i
heat at
onstant volume J=kgK
D Mass diusion
oeÆ
ient m2 =s
D Droplet diameter kg
e Spe
i
internal energy J=kg
fm Chemi
al sour
e term kg=m3 s
hm Spe
i
enthalpy J=kg
I Identity matrix
J Heat
ux ve
tor W=m2
k Turbulent kineti
energy m2 =s2
md Droplet mass kg
m_ d Droplet evaporation rate kg=s
mp Par
el mass kg
Nr Number of rea
tions
Ns Number of spe
ies
p Gas pressure Pa
r Droplet radius m
S Rate of strain tensor 1=s
T Gas temperature K
Td Liquid droplet temperature K
u Gas velo
ity m=s
ud Droplet velo
ity m=s
up Par
el velo
ity m=s
V Cell volume m3
Xv;s Mass fra
tion fuel vapor at droplet surfa
e -
Xv;1 Mass fra
tion fuel vapor far away -
vii
Greek Letters
t Integation step s
" Turbulent kineti
energy dissipation rate m2 =s3
Gaseous dynami
vis
osity kg=ms
Gaseous kinemati
vis
osity m2 =s
Rea
tive mass fra
tion
Rea
tion rate multiplier
Thermal
ondu
tivity W=mK
Gas density kg=m3
l Droplet/par
el/liquid density kg=m3
m Partial density of the gaseous spe
ies kg=m3
_s Total liquid evaporation rate per unit volume kg=m3 s
Vis
ous stress tensor N=m2
Integration step s
Momentum relaxation time s
Evaporation relaxation time
u
e s
h Heat transfer relaxation time s
m Turbulent mixing time s
!_ Chemi
al rea
tion rate mol=m3 s
Dimensionless Numbers
Nu Nusselt total /
ondu
tive heat transfer ratio
Oh Ohnesorge vis
ous / ( inertia * surfa
e tension )(1=2) for
e ratio
Pr Prandtl momentum / thermal diusion ratio
Re Reynold inertia / vis
ous for
e ratio
S
S
hmidt momentum / mole
ular diusion ratio
Sh Sherwood massp / mole
ular diusion ratio
T Taylor Oh W e
We Weber inertia / surfa
e tension for
e ratio
viii
A
knowledgments
Teamwork is essential - it allows you to blame somebody else
- Anonymous
This work was
arried out at the Department of Thermo and Fluid Dynami
s at Chalmers
University of Te
hnology and the Thermo
uids Se
tion of Department of Me
hani
al
Engineering at Imperial College of S
ien
e Te
hnology and Medi
ine. I am grateful to
many people, but I wish to express my sin
ere gratitude espe
ially to the people below,
who have
ontributed more than others. If someone feels left out I apologize, it is only
be
ause my memory serves me ill.
Chalmers University of Te
hnology
I am deeply grateful to Ass. Prof. Valeri Golovit
hev for his enthusiasm and the many
helpful dis
ussions. Without his help this would have looked very dierent and a lot
worse. I am also grateful to Prof. Jerzy Chomiak for making invaluable
omments and
suggestions. Both of them have also been a great sour
e of inspiration.
Jan Hanson for, to my big surprise, hiring me in the rst pla
e.
Monika Orrba
ke, Ulla Lindbergh-Thieme, Sandra Arvidsson and Birgitta Hultman for
taking
are of the basi
'stu', thus leaving me with more time to surf the internet.
All friends and
olleagues at TFD for
reating a friendly and enjoyable atmosphere to
work in. I am also grateful to Borje Sennung and the MDC gang, for the
omputer
support.
Imperial College/Computational Dynami
s Ltd./Nabla Ltd.
I am also very glad to have met Henry Weller who, besides introdu
ing me to FOAM and
C++, also made my time at Imperial both fun and edu
ational. It has made resear
h a
true joy. I am also glad to have met Henrik Rus
he and Dr. Marek Duszynski, for the
many, always friendly and helpful, dis
ussions.
I am also grateful to Prof. David Gosman for letting me
ome to Imperial and making
me feel wel
ome, and to
Dr. Hrvoje Jasak and Dr. Chris Marooney for being a great help and always answering
my questions in a friendly way.
ix
Others
For their indire
t support and always enjoying, but not always fruitful,
ontribution I am
grateful to all my friends, and espe
ially Martin Asplund for writing a thesis that gave
me good ideas on how to write my own (BIF rulez), and also to Lars Ronnegard, Hakan
Olsen, Mats Purs
he, Eva-Lena Tolstoy.
For her love - Camilla Ljus, it would denately not be as good without you.
x
1 INTRODUCTION
1 Introdu
tion
\The time has
ome", the Walrus said,
\to talk of many things"
- L. Carroll
1.1 Motivation
The Diesel engine is fa
ing a
hallenging task. Either redu
e emissions or be legislated out
of existen
e. Future environmental legislation will require both soot and NOx emissions to
be redu
ed drasti
ally. It is highly doubtful that the Diesel engine
an meet these demands
without post/exhaust treatment, sin
e developing and testing a new Diesel engine has
been, and still is, done by experiments, whi
h is a time
onsuming and expensive task.
Even though experimental resear
h is reliable it oers little feedba
k (in terms of what
an be improved and how to improve it) as the engine essentially is a bla
k box. What
ame out and what went in is known, but the important pro
ess in-between is not well
known. By using
omputational
uid dynami
s (CFD) in
onju
tion with experiments it
is possible to drasti
ally redu
e the time and
ost of the engine development pro
edure.
Feedba
k and ideas of how to improve details
an also be obtained, sin
e CFD allows the
engineer to see what is a
tually happening. Even though CFD is still not reliable enough
to be trusted ex
lusively, its value
annot be argued. Reliable CFD models are, therefore,
the key to better and more predi
tive
omputations.
1.2 Turbulent Diesel Spray Combustion
Diesel spray
ombustion is one of the most diÆ
ult problems of applied ma
ros
opi
physi
s as it involves the most diÆ
ult problems of turbulen
e,
hemistry and two phase
ows. These are problems that are tightly
oupled and highly non-linear, with time and
length s
ales that are so small that it's questionable if they will ever be possible to resolve.
The turbulen
e-
hemistry intera
tion is very strong and it is therefore essential to have
a reliable intera
tion model for this pro
ess if a
urate predi
tions of emissions are to be
performed. To a
ount for the in
uen
e of the turbulent
u
tuations on the rea
tion rate
the Partially Stirred Rea
tor (PaSR) approa
h has been used. This model is des
ribed in
detail in Se
tion 3.
A
urate pollutant predi
tions require a number of spe
ies and rea
tions, in whi
h the
number is limited by the
omputational resour
es. A realisti
approximation typi
ally
states that a
omplex hydro
arbon
ombustion system
ontains 1000's of spe
ies with
10000's of rea
tions. Using this many spe
ies and rea
tions is not possible today in a
CFD appli
ation. Still, as always, the more spe
ies and rea
tions that are in
luded, the
better the a
ura
y. It is therefore attra
tive to be able to in
lude and handle a
ompre-
hensive
hemi
al me
hanism.
1
1 INTRODUCTION
Redu
ing both soot and NOx is a well investigated problem, known as 'The Diesel
dilemma.' It has haunted generations of engineers and will probably
ontinue to do so.
Its
onsequen
e is that by redu
ing the soot, NOx is in
reased, and vi
e versa. However,
by redu
ing the inje
tor ori
e and in
reasing the fuel inje
tion pressure it is possible to
redu
e them both [17℄. Another re
ent approa
h is to use oxygenated fuel, in whi
h the
oxygen atoms are readily available in the fuel itself. Among these fuels, methanol and
dimethyl ether, CH3 OH and (CH3 )2 O, respe
tively, have been analyzed, and their quality
as a possible substitute for hydro
arbon fuels has been evaluated.
2
1 INTRODUCTION
way and obtain a
orre
t sour
e term distribution of the Lagrangian intera
tion terms
the \point-representation" has to be repla
ed by a \sphere-representation", or rather a
non-zero dimensional representation. Another problem related to this situation, is the
fa
t that a
omputational
ell may be o
upied by only liquid and no gas. Numeri
ally
this leads to singularities, sin
e the gaseous volume tends towards zero, and it has still
not been established whether or not this phenomenon is important enough to in
lude.
While some
laim that it
an be ignored, it is the authors feeling that ignoring physi
s
an never be the
orre
t path to follow. This is, however, a question for future resear
h.
1.4 The CFD
odes
Two dierent CFD
odes have been used in the work
arried out in this thesis. All of
the
omputations have been
arried out using the KIVA3-V
ode [2℄ developed at Los
Alamos National Laboratories, mainly by A. Amsden. All of the work
arried out on
implementing the Lagrangian des
ription of the spray has been done using the FOAM
(Field Operation And Manipulation) pa
kage [36℄, developed at Imperial College, mainly
by H. Weller. The transition from KIVA to FOAM was based on the limitations in the
fortran77 programming language, whi
h KIVA is written in. Sin
e FOAM is written in
C++, it is a more attra
tive environment, as the
omplexity of the CFD
ode is in
reased
substantially when a Lagrangian des
ription is added to represent the liquid phase.
1.5 Stru
ture of the Thesis
The basi
equations for both the gaseous and liquid phase, together with the sub models
for the spray, are presented in Se
tion 2. This is followed by a detailed des
ription and
dis
ussion of the turbulen
e/
hemistry intera
tion model in Se
tion 3. In Se
tion 4 the
authors experien
e from implementing a Lagrangian des
ription of the spray is shared.
The results in Se
tion 5 are ndings that have not been in
luded in the papers. The
on
lusions are drawn in Se
tion 6, after whi
h future work is dis
ussed in Se
tion 7.
3
2 GOVERNING EQUATIONS
2 Governing Equations
Now is a good time to put your work
on a rm theoreti
al foundation.
- Sam Morgan
This se
tion presents the governing equations for both the Eulerian and Lagrangian rep-
resentation of the gas and liquid phase. Here, unless stated otherwise, the governing
equations have been averaged.
Due to the Eulerian/Lagrangian
oupling the Eulerian equations will have extra sour
e
terms to a
ount for the phase intera
tion. The numeri
al treatment and implementation
of these sour
e terms will be dis
ussed in Se
tion 4.
The
ontinuity equation, or rather spe
ies transport equation, for one
omponent in a
multi
omponent mixture reads
" !#
m m
t
+ r (m u) = r Dr
+ fm + _sm Æm1 (1)
where m is the mass density of spe
ies m, the total gaseous mass density, u the gas
velo
ity, fm the sour
e/sink term due to
hemistry (25) and _sm the sour
e due to the
evaporation of the liquid1. (By
onvention the fuel is
ommonly set to spe
ies/
omponent
1.) D is the mass diusion
oeÆ
ient, where we assume Fi
k's law of binary diusion with
a single diusion
oeÆ
ient as dened in Equation (23). D in
ludes the turbulent diu-
sivity repla
ing the
orrelations 0m u0, whi
h are modeled using a Boussinesq hypothesis.
Note that all spe
ies diuse equally, whi
h is only true where the diusion is dominated
by turbulent diusion, as it is here. The Souret and DufourXee
ts together with thermal
radiation have been negle
ted. By forming the sum, = m , for (1) over all spe
ies,
m
the global
ontinuity equation is obtained
t
+ r ( u) = _
s (2)
1 This
thesis only deals with single
omponent fuels. Thus, the Dira
fun
tion is limited to just j = 1
in the general
ase with Æmj
4
2 GOVERNING EQUATIONS
The equation for the liquid evaporation rate, _s, is given by the relation
X Z
Np m_ d = _s dV = V _ s (3)
V V
where the l.h.s sum is the sum over all the spray par
els in the
ell volume, V is the volume
of the
ell, Np the statisti
al number of droplets in the par
el and m_ d is the evaporation
rate for a single droplet, given by Equation (42)
2.1.2 The Momentum Equation
r=1
5
2 GOVERNING EQUATIONS
where !_r is dened in Equation (26) and qr is the heat of rea
tion r at the referen
e
temperature
N
X
qr = (#0sr #00sr )(hs )ref (10)
s
f
s=1
where (hs)ref
f is the heat of formation of spe
ies s at the referen
e temperature.
Although there are numerous turbulen
e models available in the literature today, the k-"
model and the RNG version of it, are the only models that have been used throughout the
work
arried out in this thesis. For sake of
ompleteness they will be presented here as well.
Sin
e the k-"-models originally was developed for in
ompressible stationary
ows,
they have been modied to a
ount for the ee
ts of
ompressibility ( : ru) and spray
intera
tion (W_ s), see [3, p.19℄.
The turbulent modulation due to the presen
e of a Diesel spray is a
omplex and not
well known pro
ess. In the standard versions of the KIVA
odes the spray sour
e in the
k-equation
an only a
t as a sink, i.e., the turbulent energy is redu
ed in the presen
e of a
liquid par
el, see [3℄. This is, however, in
omplian
e with the assumption that the liquid
volume fra
tion is negligible and the droplets are small in
omparison to the turbulent
length s
ales. For a more detailed dis
ussion on this topi
see [22℄.
The k-"-model reads
(k) 2
+ r ( uk) = kr u + : ru + r r k " + W_ s (11)
t 3 P rk
and
(")
2
t
+ r (u") = 3 C" C" "r u + r P r" r"
1 3
"h i (12)
+ k C" : ru C" " + CsW
1 2
_ s
where : ru = ij ui=xj and the dierent
onstants are given in Table 1.
The value of Cs = 1.5 has been suggested by O'Rourke in [27℄, based on the postulate
of length s
ale
onservation in spray/turbulen
e intera
tion. This
an easily be shown.
Assume
onstant density and an absen
e of gradients. Equations (11) and (12) are then
redu
ed to2 k _ s "
t
=W ; = Cs " W_ s
t k
(13)
2 If
a
on
lusion, whether the
onstant Cs should be 1.5, or larger/smaller, one must also negle
t ".
Futher dis
ussion of this topi
an be found in Appendix B
6
2 GOVERNING EQUATIONS
and thus
" k "
Cs =
k t t
(14)
The turbulent length s
ale is dened as lt = k=", where = 1:5. Dierentiation yields,
! !
lt k " [27℄
t
= t "
= k"2 k" k
t t
=0 (15)
and for (15) to be zero, Equation (14) gives that Cs = for lt to be preserved.
It
an, however, be argued that the length s
ale really is
onserved, sin
e the dispersed
phase, as long as the droplets are small, introdu
es additional dissipation, without ae
t-
ing u0 . Consequently it should lead to a redu
tion of lt . Thus looking at Equation (15)
again, using (13), yields
! 1
lt
t
= k"2 k" k
t
"
t
= k " W_ s( Cs ) < 0 (16)
whi
h states that Cs must be less than = 1:5, sin
e W_ s < 0 here, for Equation (16) to
be valid. The value of " is
onstrained to satisfy the inequality
! 12 3=2
C k
"
P r"(C"2 C"1 ) Lsgs
(17)
where Lsgs is an input sub grid length s
ale whose value is typi
ally taken to be 4Æx,
where Æx is a representative
omputational
ell dimension. This prohibits the turbulent
length-s
ale, lt, to grow beyond Lsgs.
In the RNG k-" model, as des
ribed in [15℄, the "-equation is modied to read
!
(") 2 2 k
t
+ r (u") = 3 C" C" + 3 CC " r u "r u
1 3
(18)
"h i
+r P r r" + k (C" C ) : ru C" " + CsW_ s
1 2
"
where
(1 =0 ) k
C = ; = Sm ; Sm = (2Sij Sij )1=2 ; (19)
1 + 3 "
and
0 = 4:38; = 0:012
For ideal gases the mole
ular vis
osity, air T m, where T is the temperature and m=0.5,
see Equation (22). C"3 is also dependent on the polytropi
exponent, n, in the expression,
p=n =
onst, whi
h des
ribes the polytropi
relation in a
losed thermodynami
system.
7
2 GOVERNING EQUATIONS
Typi
ally, n, ranges from 1.3 to 1.4 and the value 1.4 has been used throughout the
omputations.
p
C" =
1 + 2 C" 3m(n 1) + ( 1)Æ 6C C
1
(20)
3
3
(
Æ = 01;; r ru0
u>0 (21)
The model
onstants for the k-"-models are summarized in Table 1
Table 1: Model
onstants for the standard and RNG k-" turbulen
e model.
and the transport
oeÆ
ients
" s #2
= air 1 +
C k
p
; = ; air = 1
A T 3=2
; =
2 (22)
air " T + A2 3
= p; D = (23)
Pr S
where the Prandtl and S
hmidt numbers, P r and S
, are input
onstants and
A1 = 1:457 10 5 ; A2 = 110:0
Any multi
omponent mixture involving
hemi
al rea
tions of the form as in Table 2
1. C7 H16 + O2 ! CH2 O + H2 O
... ...
Nr . C7 H16 + O *) C7 H15 + OH
jk
j *
) jk
j ;
j =1 j =1
8
2 GOVERNING EQUATIONS
where #0 is the matrix of the stoi
hiometri
oeÆ
ients for the forward rea
tions, #00 is
the stoi
hiometri
oeÆ
ients for the ba
kward rea
tions and
j the molar number for the
j :th spe
ies, Nr is the number of rea
tions and Ns the number of spe
ies.
The
hemi
al sour
e term in the spe
ies transport equation (1) then reads
N
X
fm = Mm (#00mr #0mr ) !_ r (25)
r
r=1
where Ns Ns
Y Y
!_ r = kf
#s sr
r kb
#s sr
r = kfr f kbr b (26)
0 00
s=1 s=1
and
Ear
= Ar exp
kr T nr
RT
(27)
is the generalized Arrhenius rea
tion rate for the forward and ba
kward rea
tion rate
oeÆ
ients and nr , Ar and Ea are the
orresponding steri
fa
tor,
ollision frequen
y
exponent and a
tivation energy, respe
tively.
2.2 The Liquid (Lagrangian) Phase
This se
tion presents the equation of motion, evaporation and energy for the dis
rete
phase. How to solve them numeri
ally, is dis
ussed in Se
tion 4. The models for atom-
ization, se
ondary breakup and
ollisions are also
onsidered.
2.2.1 The Equation of Motion
Although the momentum equation (Newton's II law) for a dis
rete parti
le is very simple
du
md d = F (28)
dt
where md , ud and F are the droplet mass, droplet velo
ity and the for
e a
ting on the
droplet, respe
tively, it presents, as will be shown, some intri
ate problems. From the
pioneering work of Basset (1888), Boussinesq (1903) and Oseen (1927) the most general
form of F is often referred to as the BBO equation and although it is still a subje
t
of
ontroversy, see [13℄, this is of minor importan
e in systems where the density ratio
between the dis
rete and
ontinuous phase is of the order 102 or higher. Under these
on-
ditions the added mass, Basset, Magnus (rotating droplets are not
onsidered), Saman,
pressure and buoyan
y for
e are often negle
ted and the BBO equation is redu
ed to just
the drag and gravitational for
e (Although the gravitational for
e in Diesel sprays
an
also be negle
ted, it is in
luded due to its simpli
ity). The a
ting for
e on the droplet is
thus,
D2
F=
8 CD jud uj(ud u) + md g (29)
9
2 GOVERNING EQUATIONS
where CD is the drag
oeÆ
ient. There are numerous proposals for the expression of the
drag
oeÆ
ient CD [37, 32, 8, 22℄.
In this work the relation below has been used, ignoring all ee
ts, su
h as evaporation
rate, deformation and proximity (high liquid volume fra
tion) ee
ts.
8
< 24 1 + 1 Re2=3 Re < 1000
>
CD = > Red 6 d (30)
: 0:424 Re > 1000
where
ju ujD
Red = d (31)
When solving the equation of motion in pra
ti
e, Equations (28) and (29) are
ombined
and written in the form dud
dt
= ud
u
+g (32)
u
=
8md = 4 d D (33)
u
CD D jud uj 3 CD jud uj
2
The liquid droplet re
eives its energy from the gas, whi
h is used to in
rease the liquid
temperature and over
ome the latent heat of evaporation in order to evaporate the fuel.
Unless the gas is saturated with fuel vapor, evaporation is always present, i.e., m_ d < 0,
the evaporation pro
ess will re
eive its energy from the droplet. Thus, if the transferred
heat, from the gas, is insuÆ
ient, the droplet temperature will de
rease. The equation
for the heat transfer to the liquid droplet is given by
dhd
md
dt
= m_ d hv (Td) + DNu(T Td )f (34)
where
p;v m_ d
f= ez z 1 ; z = DNu (35)
f is a fa
tor [35℄ whi
h
orre
ts the rate of heat ex
hange due to the presen
e of mass
transfer. In the review by Gosman [11℄, various
orrelations for the Nusselt number are
dis
ussed in more detail. The
orrelation used here is
Nu = 2:0 + 0:6Re1=2 P r1=3 (36)
where the Prandtl number is dened as
Pr = p (37)
10
2 GOVERNING EQUATIONS
and all properties are evaluated using the lm temperature, i.e., the 1=3-rule
Tf = d
2T + T : (38)
3
Solving Equation (34) in pra
ti
e is performed by introdu
ing a
hara
teristi
heat transfer
relaxation time, h , dened as
m
h = d l;d : (39)
DNu
where
l;d is the spe
i
heat for the liquid. Rearranging Equation (34), where
hd =
l;d(Td Tref )
and using Equation (42), for the mass transfer, yields
dTd T Td
= f
1 hv (Td ) (40)
dt h
l;d e
where e is dened later in Equation (45).
2.2.3 The Droplet Mass Equation
In Diesel engines, the temperature and pressure are very high and the
riti
al properties
for hydro
arbons are very low, for instan
e the
riti
al temperature and pressure for n-
Heptane are 540.2 K and 2.74 MPa, thus, evaporation in
lassi
al terms does not really
o
ur. These ee
ts have not been addressed yet and are a subje
t for future resear
h.
They will therefore be ignored here.
The
ondensation pro
ess is not present in Diesel engines, thus, the only transfer of
mass is from the liquid phase to the gas phase. Evaporation from a spheri
al liquid droplet
has experimentally been established to follow the D2-law, i.e.,
dD2
dt
= Cevap (41)
see, for instan
e, [16℄. However, the evaporation rate is more
ommonly expressed in
terms of mass, or diameter, and the rate of evaporation for a single droplet is given by
the expression
!
dmd p pv;1 Xv;s Xv;1
dt
= m_ d = DDv Sh ln
p pv;s
= DDv Sh ln 1+ 1 Xv;s
(42)
where v is the density of the fuel vapor
lose to the surfa
e. This is estimated using the
ideal gas law p
v = (43)
RT v m
11
2 GOVERNING EQUATIONS
where p is the gas pressure and assumed to be equal to the fuel vapor pressure
lose to
the surfa
e. The evaporation rate is in
reased by the relative velo
ity, whi
h is a
ounted
for by the Ranz-Marshall
orrelation3 Sh, where Sh is the Sherwood number and here
dened as
Sh = 2:0 + 0:6Re1=2 S
1=3 (44)
In pra
ti
e Equation (42) is solved by using an evaporation relaxation time, e, as
dened below: md
e = (45)
DDShv ln(1 + B )
where X Xv;1
B = v;s (46)
1 Xv;s
The evaporation rate is then given by the expressions
dmd md dD D
dt
= e
;
dt
= 3e (47)
Sin
e, the mass or diameter is always redu
ed, the equation above should be solved
impli
itly as it prevents the diameter, or mass, from be
oming negative if too large time
steps are used.
Although the pressure in a Diesel engine is typi
ally above the
riti
al
onditions for
the fuel, the following observation is important. If the liquid starts to boil, the vapor
pressure rises above the ambient pressure, whi
h yields B ! 1, and the evaporation
relaxation time tends to zero, whi
h in turn leads to the evaporation rate m_ d ! 1. In fa
t
Equation (42) is no longer valid. Unless the liquid is
lose to the
riti
al point, this innite
evaporation rate is not physi
al. The evaporation rate at boiling point therefore has to
be
oupled with the energy equation (34), sin
e the evaporation rate is then governed by
how fast heat
an be supplied to the liquid.
Under boiling
onditions the evaporation rate equation is dedu
ed from (34), where
the l.h.s is equal to zero, sin
e the temperature is
onstant under boiling
onditions. The
boiling mass transfer rate is then given by
dmd DNu
p;v
dt
=
p;v
ln h (T Td ) + 1 (48)
v
Or using a
hara
teristi
boiling relaxation time
dD D
dt
= boil
(49)
where
D2
boil =
d p;v (50)
2Nu ln h (T Td) + 1p;v
12
2 GOVERNING EQUATIONS
Sin
e Equation (42) be
omes singular
lose to the boiling point, the mass transfer
should be swit
hed from (42) to (48) when boil > e and the saturation pressure is
lose enough to the surrounding pressure, where
lose enough is a matter of numeri
al
robustness.
2.2.4 The Atomization Model
Sin
e the purpose of the Lagrangian approa
h is to remove the ne
essity for resolving the
nozzle, the initial
onditions for the spray par
els must be spe
ied. This
an be done
by using either an atomization model or by spe
ifying the initial size and spray angle as
onstants, whi
h
an be seen as a very simple atomization model.
As both approa
hes need to be tuned for optimal performan
e, the latter approa
h has
been used in the
urrent work, sin
e it is both simpler, faster and more straight-forward.
Using an atomization model is, however, physi
ally more
orre
t, but any advantage of
using an atomization model is
louded by the un
ertainties in
urrent breakup models.
2.2.5 The Breakup Model
When the liquid par
els have been inje
ted they start to deform and break up. If the
Weber number is high enough that is. The purpose of the breakup model is to redu
e
the
hara
teristi
size of the liquid par
els, due to aerodynami
for
es, and, if the model
in
ludes it, to introdu
e new par
els, whi
h are being stripped o the larger sized (parent)
par
els. Today, there exist a number of breakup models and although the TAB model is
the one that has been used the most (whi
h is standard in the KIVA
ode), the Kelvin-
Helmholtz Rayleigh-Taylor (KHRT) breakup model by Reitz, see [31, 34, 33℄ will be
presented here, for referen
e, as it has been implemented in the KIVA3-V [2℄
ode as well
as the FOAM pa
kage [36℄. The details of implementation
an be found in Se
tion 4.
The KHRT breakup model has two modes for breakup. The KH mode works as follows.
New,
hild, par
els with the size
r
= B0 (51)
are stripped from the parent par
el and the radius of the parent par
el is redu
ed a
ording
to the rate expression
dr
= r r
; kh =
3:788B1D (52)
dt kh
where B0 = 0:61, B1 = 40 are model
onstants and
s
0 :34 + 0:38W e1:5
= (1 + Oh)(1 + T 0:6) r3 (53)
d
p
(1 + 0 :45 Oh)(1 + 0:4T 0:7 )
= 9:02r (1 + 0:865W e1:67)0:6 (54)
13
2 GOVERNING EQUATIONS
Figure 1: S
hemati
pi
ture of the KH instability droplet formation pro
ess. (Taken from
[31℄)
where is the wavelength of the fastest growing wave
, see Figure 1.
The Weber number for the gas is dened as
jurel j2 r
We = ; (55)
thepOhnesorge number is dened as Oh = pW e =Re , and the Taylor number as T =
l l
Oh W e. The liquid Weber number W el is dened similar to W e, but with the gas
density repla
ed by the liquid density. The liquid Reynolds number is dened as
ju jr
Re = l rel :
l
l
The RT mode of breakup works in a slightly dierent way. The wavelength t = =K ,
where s
K=
jgt(l )j ; g = (g + dud ) ud (56)
3 t
dt jud j
is
ompared to the droplet size and if t < r, it is assumed that RT waves have
started to grow on the surfa
e of the droplets. (The droplet a
eleration is obtained using
Equation (32)). The life time of the growing RT waves is then tra
ked from then on, and
when the life time ex
eeds the
hara
teristi
RT time t = 1=
t , where
v
u
t =
u
tp 2 jgt(l )j3=2 (57)
27 l +
atastrophi
breakup o
urs, whi
h immediately
reates mu
h smaller droplets. The
RT breakup splits the par
el so that the new statisti
al number is in
reased by a fa
tor
of r=t and the new droplet size is
orre
ted to ensure
onservation of mass.
14
2 GOVERNING EQUATIONS
Among the spray sub-models, the weakest model is the
ollision model. This is due to
the built-in grid dependen
y, whi
h will be explained below. First,
ollisions between
par
els are only signi
ant when the liquid volume fra
tion is high. Although all Diesel
sprays are dense at the beginning, this is, however, a question of mesh resolution, sin
e
a
omputational mesh with small
ells will yield a higher liquid volume fra
tion than a
mesh with larger
ells. The
ollision model by O'Rourke [26℄ states that:
Collision between two par
els o
urs when they o
upy the same
omputational
ell and the probability for
ollision is higher than a
threshold value based on the
ollision frequen
y,
where the
ollision frequen
y is dened as
v = Nd;small (Dsmall + Dlarge )2 jUd;small Ud;large jE12 (58)
4V
where E12 is the
ollision eÆ
ien
y4 [26℄. Redu
ing the
ell size will have two ee
ts,
in
reasing the
han
e for
ollision, a
ording to Equation (58). But, it will also redu
e
the domain in whi
h the par
els
an meet. And sin
e two par
els not in the same
ell
have zero probability of
olliding, the probability in
rease in Equation (58), by redu
ing
V , is of no importan
e. In the extreme, if the
ell size is of the same order as the droplet
size, only one droplet will o
upy the
ell and no
ollisions will o
ur.
Another weakness of this formulation is that there is an equal
han
e for
ollision
regardless of whether the par
els are moving towards or away from ea
h other, see Figure
2, and the
han
e for
ollision is mu
h higher if the pla
e of
ollision is inside a
ell than
1111
0000 1111
0000
0000
1111 0000
1111
0000
1111 0000
1111
0000
1111
0000
1111 0000
1111
0000
1111
0000
1111 0000
1111
0000
1111 0000
1111
0000
1111 0000
1111
0000
1111 0000
1111
0000
1111
0000
1111 0000
1111
0000
1111
0000
1111 0000
1111
0000
1111
0000
1111 0000
1111
0000
1111
0000
1111
0000
1111 0000
1111
0000
1111
Figure 2: Two dierent
ollision possibilities, in whi
h the top pair of par
els have equal
han
e of
olliding as the bottom pair.
if it is between two
ells, where the latter is diÆ
ult to
ontrol in a
omplex geometry.
These ee
ts are investigated and dis
ussed in more detail in Se
tion 5.
Although the
ollision models developed by Berlemont [5℄ are more a
urate, they are
omputationally very demanding.
Therefore, the following mesh independent formulation is hereby suggested
4 In the KIVA
odes E12 = 1:0:
15
2 GOVERNING EQUATIONS
Collision between two par
els o
urs if their traje
tories interse
t
and the interse
tion point is rea
hed at the same time, and within
the integration step.
These
onditions are, however, also quite
omputationally demanding if they are ap-
plied to all pairs of par
els. Therefore, to sort out impossible
ollisions, two prerequisites
have to be met. First, from Figure 3 it
an be dedu
ed that in order for two par
els to
X2
r2
X1
r1 U2
U1
into a
ount that the par
els must be at the same pla
e at the same time.
This new
ondition for
ollision has been implemented in the KIVA
ode and the
out
ome of the
ollision is treated in the same way as the original model.
16
3 THE TURBULENCE/CHEMISTRY INTERACTION MODEL
This se
tion deals with how the
hemi
al sour
e terms in the spe
ies transport equation
(1) have been modeled. The modeling approa
h uses a spe
ial te
hnique, in whi
h a
referen
e spe
ies is introdu
ed to
ompute both the rea
tion rate and the
hara
teristi
hemi
al time. As this pro
edure is
losely
onne
ted with the modeling, it is explained
in detail.
3.2 Ba
kground
With the introdu
tion of the Eddy Break-Up model (EBU) by Magnussen and Hjertager
[24℄ in 1976, it be
ame possible to treat turbulent diusion
ombustion in a su
esful
manner. Sin
e then, the EBU model has be
ome widespread and widely used in many
CFD
odes. The su
ess of the model
an mainly be attributed to two things, the sim-
pli
ity of the model, plus, at the time, la
k of other diusion
ame models. Although it
was rst and simple, it was not too simple. On the
ontrary. In a re
ent study by Gran
[14℄, in whi
h dierent alternatives for a
ounting for nite rate
hemistry in turbulent
ombustion are investigated, it is
on
luded that the EBU
on
ept is the most attra
tive
approa
h for pra
ti
al purposes5 . Sin
e the introdu
tion of the EBU model, other models
5 Although this study was not dire
tly related with spray
ombustion.
17
3 THE TURBULENCE/CHEMISTRY INTERACTION MODEL
have been derived, based on other prin
iples, su
h as the
amelet
on
ept [29℄, the prob-
ability density fun
tion (PDF) approa
h [30℄ or the Lagrangian approa
h [6℄. There have
also been extensions to the EBU
on
ept. However, all of these approa
hes, ex
ept for
the Lagrangian, have diÆ
ulties handling
omplex
hemistry. The standard EBU only
uses one global rea
tion. Although it is possible to extend it for
omplex
hemistry, it is
not
lear how to do this. For instan
e, one way, dierent from the one used here,
an be
found in [7℄.
The
amelet
on
ept is based on the assumption that the
hemi
al time s
ale is mu
h
faster than the turbulen
e time s
ale. The
ame is, hen
e, treated using a laminar ap-
proa
h, where the turbulen
e and
hemistry have been de
oupled. This is not appropriate
for Diesel spray
ombustion as this
on
ept
annot treat the important slow
hemistry
onditions, sin
e this assumption is not valid. And for predi
ting the, for emissions, im-
portant
ame lift-o [9℄, this is
ru
ial. Although, the PDF, theoreti
ally, is the most
or-
re
t approa
h, the number and
omplexity of the various (unknown)
orrelations between
spe
ies and temperature, make the system untreatable. Using a Lagrangian approa
h, the
probabilisti
Eulerian Lagrangian (PEUL) model
an treat
omplex
hemistry, although
slow
hemistry is treated separately using a redu
ed me
hanism. In addition, fullling
the balan
e equations lo
ally is a problem in this approa
h. Thus, it leaves some room
for improvement.
The Partially Stirred Rea
tor (PaSR)
on
ept by Karlsson [17℄ is an extension of the
EBU approa
h. The derivation is, however, somewhat ad ho
and based on several pos-
tulates. It has, however, proven to work very well for turbulent Diesel spray
ombustion
and provides the rst
omplex
hemistry treatment of the problem.
This work is a
ontinuation of the work
arried out by Karlsson [17℄.
3.3 The Referen
e Spe
ies Te
hnique
Solving a
hemi
al system in a fully
oupled fashion, when the number of rea
tions is
of the order of about 100, is far too expensive. Hen
e, to treat a detailed me
hanism,
another approa
h has been developed in whi
h the rea
tion set is solved sequentially, i.e.,
the rea
tions are a
ounted for one after another and the spe
ies are updated after ea
h
rea
tion and fed into the next rea
tion. Although the
orre
tness of this is yet to be
proven, it is based on the same reasoning as the widely used time splitting te
hnique,
whi
h is used for instan
e in the KIVA
odes, and thus, it appears to be a
eptable.
An alternative pro
edure is yet to be developed. Still, due to the stiness of the system
a spe
ial te
hnique, using a referen
e spe
ies for ea
h rea
tion, has been applied. This
approa
h is appropriate when the integration step is larger than the smallest
hemi
al
time s
ale, sin
e the same algorithm
an be applied to all rea
tions without
he
king
whether they are slow or fast (equilibrium).
Normally, by using this approa
h, the spe
ies in danger of being driven to negative
on
entration restri
ts the integration step.
18
3 THE TURBULENCE/CHEMISTRY INTERACTION MODEL
The referen
e spe
ies te
hnique is used in the KIVA
odes, [1, 2, 3℄, but is explained
nowhere. It will therefore be explained here.
Consider the following elementary rea
tion
kf ;kb
#1
1 + #2
2 *
) #3
3 + #4
4 (62)
where #i and
i are the rea
tion stoi
hiometri
oeÆ
ients and molar
on
entrations,
respe
tively. For simpli
ity, it is assumed that all #i = 1, sin
e it is more spe
i
for
detailed
hemistry, where the maximum value of #i is two for the radi
al re
ombination
rea
tions.
The rate equation for the above rea
tion is
d
1
dt
= d
dt2 = !;_ d
dt3 = d
dt4 = !_ (63)
where !_ is dened similar to (26), but without the subs
ript.
When solving Equation (63), it is
ommonly a
epted that one use an impli
it s
heme,
sin
e the rea
tion rate !_ is dependent on both temperature and
on
entration and
an
dier in value by several orders of magnitude when the rea
tions pro
eed. The problem
is illustrated by dis
retizing (63) for the forward rea
tion and assuming !_ > 0
n1 +1
n1
= !_ x )
n1 +1 =
n1 !_ x (64)
where !_ x is either evaluated at x = n, x = n + 1 or a
ombination of both.
If !_ x is evaluated at x =n+1 n, it is
lear from (64) that if the time step, , is suÆ
iently
large, there is a danger of
1 be
oming negative. Obviously, this is in
orre
t, sin
e the
on
entrations should tend towards the equilibrium solution !_ = 0, whi
h for i = 1 yields
!eq
kb
3
4
1 eq
= kf
2
(65)
To over
ome this de
ien
y, !_ x is evaluated at x = n+1 semi-impli
itly in the following
way. Dierentiating !_ with respe
t to time yields (kf and kb are held
onstant)
! !
d!_ d
1 d
2 d
3 d
4
=k
dt f
+
dt 2
k
1 dt
+
b
dt 4 3 dt (66)
whi
h together with (63) yields
d!_ (67)
dt
= (kf (
2 +
1) + kb(
4 +
3)) !_ = !_
where
= kf (
2 +
1 ) + kb (
4 +
3 ) (68)
19
3 THE TURBULENCE/CHEMISTRY INTERACTION MODEL
does not tend toward the equilibrium
on
entration
eqi , see Equation (65). In order to
over
ome this de
ien
y, the referen
e spe
ies
on
ept is introdu
ed. The referen
e spe
ies
is dened as 'the spe
ies most in danger of being driven negative', thus, it is the spe
ies
whi
h is being
onsumed by the rea
tion and has the lowest
on
entration. For the sake
of argument let's assume the referen
e spe
ies to be
r =
1 , i.e., spe
ies one. The partner
to spe
ies one is, thus,
2 . Note, thus, that
2 >
1 and by assuming that kf
2 is larger
than the other terms in (68) we have
n (kf
2 )n (71)
With the above expression for , !_ n+1
an now be evaluated. For the referen
e spe
ies
this yields
! !
!_ n !1 n !_ n kf
1
2 kb
3
4 n kb
3
4 n
1 =
1
1 + n !
1 n =
1 = k
(72)
n +1 n n
kf
2 f 2
This way, the equilibrium
ondition for ea
h rea
tion is automati
ally ensured and
there is no need to treat equilibrium rea
tions separately from the slow, kineti
ally
on-
trolled rea
tions6.
3.4 The Partially Stirred Rea
tor Con
ept
In the Partially Stirred Rea
tor (PaSR) approa
h, a
omputational
ell is split into two
dierent zones, one zone, in whi
h all rea
tions o
ur, and another, in whi
h no rea
tions
o
ur. Thus, the
omposition
hanges due to mass ex
hange with the rea
ting zone.
Furthermore, the rea
ting zone is treated as a perfe
tly stirred rea
tor (PSR), in whi
h
the
omposition is homogeneous (every spe
ies is assumed to be perfe
tly mixed with the
other ones). This allows us to disregard any
u
tuations when
al
ulating the
hemi
al
sour
e terms.
6 Thisstatement is not really true, sin
e
eq
1 requires the equilibrium values of all the spe
ies. However,
obtaining the true equilibrium value requires an iterative pro
edure whi
h is
omputationally demanding
and therefore avoided.
20
3 THE TURBULENCE/CHEMISTRY INTERACTION MODEL
Be
ause the
omputational
ell is divided into two zones, the question now arise of how
to split the
ell into the rea
ting and non-rea
ting part. How large is the mass fra
tion
of the mixture taking part in the
ombustion, and what governs the
omposition of it?
As it turns out, the key issue in the PaSR approa
h lies in answering these ques-
tions, as they des
ribe the
onne
tion between the sub-grid information and the grid level
information.
The rea
tive mass fra
tion will be dened below as the
al
ulation is advan
ed one
time step, from
0 to
1 , see Figure 4.
κ
1111111111111111
0000000000000000
*
0000000000000000
1111111111111111
0000000000000000
1111111111111111
0000000000000000
1111111111111111
0000000000000000
1111111111111111
0000000000000000
1111111111111111
C0 0000000000000000
1111111111111111
C C1
0000000000000000
1111111111111111
0000000000000000
1111111111111111
0000000000000000
1111111111111111
0000000000000000
1111111111111111
0000000000000000
1111111111111111
21
3 THE TURBULENCE/CHEMISTRY INTERACTION MODEL
concentration
I II
f(c) c1
c0
τ τ mix
time
22
3 THE TURBULENCE/CHEMISTRY INTERACTION MODEL
whi
h
learly states that if the integration step is larger than the turbulent mixing time,
i.e., 1, then most of what
omes out of the rea
tor will be from the rea
tion
zone. Having established the rea
tive fra
tion, , it remains to eliminate the unknown
parameter
in order to obtain
1.
Let us re
apitulate the
hemi
al sour
e term in the spe
ies transport equation:
N N Ns Ns !
X X Y Y
fm (
) = = (#00 #0 )
r r
fr Mm mr kf
r # r
s sr kb
s sr #
0 00
m mr
r=1 r=1 s=1 s=1 !
XNr YNs YNs
= Mm #00mr kfr
#s sr #0mr kbr
#s sr
0
+ 00
| r =1 s =1 {z s=1 }
2
Nr
X
= (1
r r 2) = 1 2
r=1
where 1 and 2 are both positive. Above, the rea
tion rate fm (
), is evaluated at the
rea
tion zone
onditions
. However, sin
e
is sub-grid information, it must be repla
ed
by something known on a grid level.
Using Taylor expansion yields
f
fm (
) = fm (
1 ) + m (
1 ) +
1 2 fm (
)2 (79)
2
2 1
where the diagonal elements in 2 fm =
2 are zero and the o-diagonal elements are ne-
gle
ted. It should be noted that the Taylor expansion does not
ontain any derivatives of
a higher order than two. Further, it is assumed that the dominating term in the Ja
obian
is with respe
t to the referen
e spe
ies, i.e., fm =
r . The
hemi
al time
an then be
dened from the Ja
obian element
1 = fm : (80)
r
(Obtaining the
hemi
al time involves the same assumptions as when obtaining (71),
whi
h is dis
ussed in Se
tion 3.3). Equation (79) now reads
1
fm (
) = fm (
1 ) (81)
By substituting the expression for
in (81) with (77), we obtain
1
0
= f (
) = f (
) 1
1 1
(82)
m m 1
0 1
23
3 THE TURBULENCE/CHEMISTRY INTERACTION MODEL
whi
h leads to
1
0
= fm(
1 ) 1 (
1 (1 )
0 ) = fm (
1 )
1
(
0 ) (83)
1
1
The terms
ontaining
1
0
an, now, be grouped together as
1 + 1 (
) = f (
) (84)
1 0 m 1
24
3 THE TURBULENCE/CHEMISTRY INTERACTION MODEL
results were obtained using the Taylor s
ale. This result is in agreement with the ndings
here, where mix has been obtained from the k-" equation,
k
mix = Cmix ; (89)
"
and the model
onstant Cmix was set to 0.005. This
onstant
an, however, vary between
0.001-0.3, depending on the
ow. It should be noted that using mix k=" might not
always yield the best results, depending on the
ow situation, as well as the
hemi
al
me
hanism. Moreover, the small value of Cmix might be an indi
ation that the Karlsson
and Chomiak approa
h will yield better results using a larger
onstant in front of pt k .
3.5 The PaSR Model: Observations and Impli
ations
Treating the rea
tive fra
tion in a Lagrangian fashion, the governing equation for the
rea
ting spe
ies on a sub-grid s
ale is
d
dt
= Dsgsr2
+ f (
) (90)
where Dsgs is the sub-grid diusion. Solving (90) presents some fundamental problems.
First, the problem is not well posed, sin
e
al
ulating
(tn+1) requires
(tn), whi
h is
unknown. Se
ond, the spatial resolution is too
oarse to resolve the dis
retized operator
r.
Sin
e the r operator is unresolved, the operator Dsgsr2 is modeled by the turbulent
hara
teristi
time as 1
D r2
sgs
mix
(91)
where mix is obtained from the turbulen
e model. Note that
must be repla
ed by
1
in order to satisfy the equilibrium
onstraint
!
1 as d
=dt ! 0, f (
) ! 0. Equation
(90) now reads
d
1
dt
= mix
+ f (
); (92)
whi
h is the same equation as used in the probabilisti
Eulerian Lagrangian (PEUL)
model [6℄; if mix = IEM , where IEM is dened as the
hara
teristi
time for Intera
tion
Ex
hange with the Mean.
However, using relation (74) we obtain
d
dt
= f (
) + f (
) = 0 (93)
implying that
is in equilibrium/steady-state.
This implies that the rea
tions in the rea
tive zone pro
eed at a rate determined by
how strong the mixing, or intera
tion with the mean, is.
25
3 THE TURBULENCE/CHEMISTRY INTERACTION MODEL
Further, let us
onsider the rea
tion rate for rea
tion i
fmi (
) = 1i 2i ; (94)
and re
all the denition of the referen
e spe
ies,
r , whi
h is used to
al
ulate the rea
tion
rate. Linearizing Equation (94) around
r , by using the information at the
urrent time
step, we nd that the linear form of (94) is given by (sin
e
r is only present in 2i )
fmi (
) = (1i )0 (2i )0 0r (95)
r
Dierentiating (95) yields,
dfmi (
)
= (
20) d
dtr = (
20) fmi (
);
i 0 i 0
dt
(96)
r r
sin
e (1i )0 and (2i )0 are held
onstant. To obtain the rea
tion rate at the next time step,
a semi-impli
it s
heme is applied to (96), (supers
ript zero is the value at this time step
and supers
ript one denotes the value at the next time step)
dfmi (
) f 1 f 0
= (2) f 1
i 0
dt
=
0r
(97)
whi
h yields,
f0 0 = 1
0 ;
=
r + (2 )
0 i 0
f1 = 0
(98)
r + (2i )0 r
r f0
Equation (98) yields an expression for both the rea
tion rate at the next time step and
the
hemi
al time. By inserting (98) in (88) we nd
fmi (
) = fmi (
1 ) = fmi (
1 )
+
mix
0r +(2i )0
(98) f0
= f0
0r (99)
r +(2 )
0
f0
i 0
+ mix
0r + (2)
i 0
f 0
0r
=
0r f 0 mix + (2i )0
With the above expression for the rea
tion rate (99) two limiting extremes
an be
identied, the homogeneous rate, mix ! 0, and, the mixing
ontrolled rate, where the
term f 0mix is dominant.
Investigating the rst
ase, mix ! 0, yields
f 0
0r f0
fmi (
) =
0 f 0 mix + (2i )
! 1 + (2i )=
0r (100)
r
26
3 THE TURBULENCE/CHEMISTRY INTERACTION MODEL
where the rea
tion rate is redu
ed to a quasi-laminar approa
h, where
=
1 , a
ording to
Equation (77), in the rea
tion rate terms.
Investigating the se
ond
ase, where f 0mix dominates, yields
f 0
0r
fmi (
) =
0 f 0 mix + (2i )
!
r (101)
r mix
whi
h is equivalent to the eddy break-up rate, in parti
ular the Magnussen and Hjertager
[24℄ rea
tion rate. To illustrate this, let us start with the expression for the rea
tion rate
given in [24℄
"
f (
) = A min
f ; ;
o B
p 1
o B
p
= A min
f ; s ; 1 + s (102)
k s 1+s mix
where A and B are model
onstants and
f ,
o and
p are the fuel-, oxidizer- and produ
t
on
entration, respe
tively. It should be noted that the Magnussen model is valid only
for one global rea
tion, in the form,
f + s
o ! (1 + s)
p (103)
If a more detailed me
hanism is used with, for instan
e, two and/or more than one
rea
tion, it is not
lear how to use the Magnussen model. Moreover, the un
ertainties in
determining the model
onstants in
rease dramati
ally. The produ
t term, B
p=(1+ s) is
not important in our analysis be
ause it is introdu
ed to des
ribe the temperature level
orresponding to the moment when mixture ignition is a
hieved.
Supposing, for simpli
ity s = 1, in the rea
tion of the form (103), the quasi-laminar
rea
tion rate is given by the expression
jf (
)j = kf
f
o (104)
whi
h, essentially reads
jf (
)P aSRj
f
o =
f (1
f ) (105)
whi
h redu
es to the Magnussen and Hjertager rea
tion rate
jf (
)Magnussenj min(
f ; 1
f ) (106)
The plot of the dierent expressions for the rates, jf (
)j,
an be seen in Figure 6. Thus,
to des
ribe the Magnussen limiting spe
ies, the minimum operator is introdu
ed and from
this, it be
omes
lear that the Magnussen limiting spe
ies and the referen
e spe
ies are
equivalent, as the minimum operator
an be seen as approximating the fun
tion
(1
).
Another interesting observation is that the PaSR rea
tion rate (99)
an be dedu
ed in
a
ompletely dierent way.
The total ele
tri
al resistan
e, R, of two parallel
onne
ted resistan
es R1 and R2 is
obtained in the following way
1= 1+1 (107)
R R1 R2
27
3 THE TURBULENCE/CHEMISTRY INTERACTION MODEL
0.5
0.45
0.4 Magnussen
0.35
PaSR
0.3
reaction rate
PaSR
0.25
0.2
0.15
0.1
0.05
0
0 0.1 0.2 0.3 0.4 0.5 0.6 0.7 0.8 0.9 1
fuel concentration
Figure 6: The rea
tion rates as a fun
tion of fuel
on
entration. The two PaSR graphs
dier by a
onstant two.
and by viewing the two limiting rea
tion rates, (100) and (101) as parallel pro
esses, the
overall rea
tion rate
an be written as
1 = 1 + 1
fmi (
) f (mix ! 0) f (mix ! 1)
= 1 + (f20) =
r mix
i 0 0
0r (108)
=
r + (2) f mix
0 i 0 0
f 0
0r
whi
h obviously is equivalent to (99).
In light of this, an analogy between ele
tri
al
ir
uits and
ombustion
an be drawn:
As the resistan
e of two parallel
onne
ted resistan
es is determined by their harmoni
average7 , likewise the overall rea
tion rate in the PaSR model is determined by the har-
moni
average of the quasi-homogeneous rate and the turbulent mixing
ontrolled rate. It
is important to note that both rates must be dened using the same limiting, or referen
e,
spe
ies.
Even though the rea
tor is split into two parts, there is only one
ommon temperature
for both zones. It has not been established whether or not this simpli
ation is important.
The produ
tion of NOx is sensitive to the temperature and may require the
onditions
in the rea
tion zone to be restored and this may require keeping tra
k of two dierent
temperatures. This is a question for future resear
h and has not been investigated here.
7 The harmoni average only diers by a fa tor of two sin e it is dened as R2 = R11 + R12
28
4 IMPLEMENTING A LAGRANGIAN REPRESENTATION OF THE SPRAY
29
4 IMPLEMENTING A LAGRANGIAN REPRESENTATION OF THE SPRAY
every
ell along its path. See Figure 7, in whi
h a par
el moves from position I to II
during one time step, thereby missing several
ells in-between.
I
11111111111
00000000000
00000000000
11111111111
00000000000
11111111111
00000000000
11111111111
00000000000
11111111111
00000000000
11111111111
00000000000
11111111111
00000000000
11111111111
00000000000
11111111111
00000000000
11111111111
00000000000
11111111111
00000000000
11111111111
00000000000
11111111111
00000000000
11111111111
00000000000
11111111111
00
11
00000000000
11111111111
00
11
00
11 II
00
11
Figure 7: Possible s
enario using the LF tra
king when the time step is too large.
This situation is una
eptable for both a
ura
y and stability reasons, as it will
reate
a sour
e eld whi
h is very 'spiky' and has a high intensity, sin
e the LF algorithm
distributes the sour
e from the par
el to only one
ell during the full time step. This
limits the maximum time step and the advantages of using an impli
it
ode are thereby
diminished.
The F2F tra
king algorithm only requires one sear
h, whi
h is performed when the
par
el is rst introdu
ed into the domain. From then on there is no need to look for it
again (if the tra
king algorithm is robust enough). Consider Figure 8, in whi
h the par
el
n^ 2
n^1
up
x
n^ 4
n^ 3
30
4 IMPLEMENTING A LAGRANGIAN REPRESENTATION OF THE SPRAY
However, if some i < 1, the par
el hits fa
e i and = min(i) > 0 is the fa
e it hits
rst. If the par
el hits a fa
e, the par
el is then moved for t time to its new position
on fa
e i, whi
h is xnew = xold + upt. The sour
e terms are
al
ulated for
ell i and
the par
el now belongs to the neighboring
ell of fa
e i. This pro
edure is then repeated
until the par
el has moved the whole integration step t.
This ensures the par
el going through every
ell it passes without any error in the
sour
e term
al
ulation as it
hanges
ells and there are no time step restri
tions due to
its velo
ity.
Using the F2F tra
king te
hnique has, however, some quite intri
ate loop-holes that
may result in the par
els being lost, if
are is not taken. These loop-holes and how to
avoid them are dis
ussed in Appendix A.
As for the 'in-whi
h-
ell-am-I' fun
tionality, the easiest way to
he
k whether or not
a par
el belongs to a
ell is by
he
king that i <= 0 for every fa
e, where
i = (x
i ) n^ i (110)
^ i the fa
e normal. This
x is the position of the par
el,
a referen
e point on fa
e i and n
is a fool-proof method when the
ell is a tet, but on a hex mesh, this method will fail if
i
the situation looks as in Figure 9. However, using the F2F tra king algorithm on a hex
Figure 9: Par
el in a
on
ave
ell, where the lookup will fail using the method suggested
here.
mesh, the tet de
omposition has already been performed and thus the tet's are already
available.
4.3 The Equation of Motion
Dis
retizing and integrating the equation of motion for a par
el presents some problems
that
an be
ategorized under the following
ategories:
Turbulent dispersion (Unresolved random
u
tuations in the Eulerian phase) .
Lagrangian / Eulerian des
ription dis
repan
y.
31
4 IMPLEMENTING A LAGRANGIAN REPRESENTATION OF THE SPRAY
Be
ause the Eulerian momentum equations have been averaged, in some way, the instan-
taneous velo
ity u, a
ting on the par
el, is thus unknown. Writing Equation (32) in terms
of the known averaged and unknown
u
tuating velo
ity then reads
= ud (u + u ) + g
dud 0
dt
(111)
u
where u0 is the velo
ity
u
tuation, whi
h has to be modeled, see for instan
e [12, 28℄
(u0 is also in
luded in the evaluation of and CD .). In order to obtain the velo
ity
of the par
el at the next time level, Equation (111) has to be integrated, and sin
e the
u
where the par
el velo
ity on the r.h.s has been evaluated impli
itly and the gaseous
velo
ity expli
itly. Thus, the velo
ity for the next time step is obtained from
ud (t0 ) + t(u(t0 ) + g ) t u0
ud (t0 + t) = + (113)
u u
t + t + u u
The dispersion ee
t will also be present when
al
ulating the par
el position,
Z t0 +t
dxd
dt
= ud ; ) xd (t0 + t) xd (t0 ) = t0
ud ( )d (114)
whi
h is evaluated expli
itly, and the random
u
tuation a
ounting for the turbulen
e,
x0 is added
xd (t0 + t) = xd (t0 ) + tud (t0 ) + x (115)
0
The purpose of in
luding x0 and u0 is to a
ount for the in
uen
e of the random
turbulent
u
tuations on the par
el. The turbulent dispersion is important when the
relative velo
ity is relatively low, like in parti
les transported by air, see for instan
e [23℄.
In diesel spray appli
ations, it is, however, of minor importan
e, sin
e the relative velo
ity
is very high and the liquid evaporates qui
kly.
The implementation of turbulent dispersion will not be des
ribed here. It is modeled
using the 'random walk pro
edure' as des
ribed in [28, 4℄
32
4 IMPLEMENTING A LAGRANGIAN REPRESENTATION OF THE SPRAY
Be
ause the par
el moves
ontinously through the
omputational mesh and the gaseous
velo
ity is stored in xed positions, either
ell
enters or verti
es, how to evaluate the
gaseous velo
ity, u in Equation (113), at the par
el position is an open question. The
dierent strategies are either to use the velo
ity at the position
losest to the par
el, or
to interpolate the velo
ity, using a set of the
losest positions. In Figure 10, taken from
[4℄, the 2-D spray patterns from four dierent CFD
odes are shown. From left to right,
they are SPICE, KIVA, CHAMPION and FLUENT. They represent the same
ase, at the
same time, and although the turbulent dispersion makes the sprays look more 'random'
and dierent breakup models have been used, one important and obvious, observation
an be made. They all are very dierent. The most signi
ant reason for the dieren
e in
33
4 IMPLEMENTING A LAGRANGIAN REPRESENTATION OF THE SPRAY
The most
ommon and easiest method of interpolation is inverse distan
e weighting,
where the velo
ity, u , is evaluated by using the
losest verti
es, or fa
es, as
(x) = P1 (iu i); i = max(Æ; 1jx
j) :
X
u (116)
i i i
where x is the par
el position and
i the position at whi
h the velo
ity u i is stored. Æ
is some small number to prevent division by zero. As the par
el moves from one
ell to
another it
hanges the set from whi
h the velo
ity is interpolated and for the method
above, this swit
h makes u appear to be non-
ontinuous. Therefore, another method will
be presented below, in whi
h the par
el experien
es a
ontinuous
ow eld.
This, however, assumes that the par
el is in a tetrahedron. In Figure 11, the distan
e
vertex i
βi
x
αi
base i
34
4 IMPLEMENTING A LAGRANGIAN REPRESENTATION OF THE SPRAY
U1 U2
Ud
1 2
The last item, regarding the equation of motion, is how to handle the Lagrangian-Eulerian
oupling. One of the purposes with the FOAM implementation is portability and mod-
ularity. The spray pa
kage should fun
tion like an add-on module and it should be easy
and fast to add to an already existing
ode, with a minimum of modi
ations. The La-
grangian and Eulerian
al
ulations have therefore been fully de
oupled. Advan
ing the
al
ulation one time step is performed in the following manner:
The Eulerian solution is frozen at time level n and the par
els are advan
ed one by
one, to time level n +1. All the sour
e terms in the mass, momentum and energy equation
are thus evaluated using the information from time level n. When the Lagrangian phase
is done, the Eulerian
al
ulation is performed using the Lagrangian sour
e terms from
time level n + 1.
Performing a
al
ulation in a fully
oupled manner would not only be very expensive,
but most likely also unstable, at least for the momentum. This
an easily be realized.
Imagine a par
el traveling along a path, thus modifying the gas eld. It is not likely that
it will travel along the same path through the same
ells in every iteration if the gaseous
velo
ity eld
hanges. Thus, if a par
el is
lose to a fa
e, and it passes a dierent
ell
every iteration,
onvergen
e will never be obtained. And sin
e Murphy's Law8 always
applies,
oupled momentum
al
ulations should be avoided. This problem is also linked
with the par
el only intera
ting with the
ell it is
urrently in. Another
onsequen
e of the
de
oupling should also be mentioned. Imagine a
onstant volume vessel, lled with zero
velo
ity air. The rst par
els inje
ted into the vessel will experien
e zero gas velo
ity,
8 Edward A. Murphy, Jr. - If there are two or more ways to do something, and one of those ways
an result in a
atastrophe, then someone will do it (1949). Murphy's Law is, however, more
ommonly
known as - Anything that
an go wrong, will, whi
h is Finagle's Law of Dynami
Negatives
35
4 IMPLEMENTING A LAGRANGIAN REPRESENTATION OF THE SPRAY
the relative velo
ity will therefore be higher than it should and the liquid penetration
will most likely be under-predi
ted. Liquid penetration therefore not only depends on
breakup, or the evaporation model, but also on the integration step.
36
4 IMPLEMENTING A LAGRANGIAN REPRESENTATION OF THE SPRAY
37
4 IMPLEMENTING A LAGRANGIAN REPRESENTATION OF THE SPRAY
2. The mass and number of par
els to be inje
ted during the
urrent time step are
al
ulated and the new par
els are inje
ted, either sequentially or all at the same
time, and moved up to the
urrent time.
3. Clean up the spray. Par
els with very small mass are removed from the
al
ulation.
4. The various sub-models are applied sequentially: breakup,
ollision and turbulent
dispersion.
The par
els have now been moved from time level n to time level n + 1.
38
5 RESULTS AND DISCUSSION
The results summarized in this se
tion are ndings that have not been in
luded in the
papers. The reader is, therefore, referred to the papers for results regarding experimental
omparisons and engine appli
ations.
In this se
tion, the various parametri
studies behind the above mentioned results
are presented, sin
e these studies often have to be left out of the papers due to volume
restri
tions in the material presented for publi
ation.
All the studies below have been done in a
onstant volume, sin
e this allows for more
ontrol over the simulation.
By in
luding many spe
ies and rea
tions in the simulations, the
omputational time is
naturally in
reased. However, the in
rease is not dramati
. Typi
al run times are in the
order of one hour to one day for a 2D
ase and one to two weeks for a 3D
ase, depending,
of
ourse, on how long the simulation time is.
The
omputers used to perform the simulations were either LINUX based PCs or an
SGI Origin2000.
5.1 Mesh Dependen
e Analysis
The liquid penetration is sensitive to the
ell size, espe
ially in the radial dire
tion. As
an
2−D, 50 bar, 800 K, 6.0 mg N−Heptane
6
0.5x0.5mm
0.5x1.0mm
2
1.0x0.5mm
1.0x1.0mm
0
0 0.2 0.4 0.6 0.8 1 1.2 1.4 1.6 1.8 2
time (s) −3
x 10
Figure 13: Leading droplet position for dierent grids with resolution r x z.
be seen in Figure 13, by redu
ing the
ell size in the radial dire
tion, the liquid penetration
is in
reased and in general, using a ner mesh will in
rease the liquid penetration. The
breakup model used for obtaining the results in Figure 13 was the TAB model. The TAB
model is known to produ
e very small droplets
lose to the inje
tor. To investigate the
39
5 RESULTS AND DISCUSSION
reasons behind the sensitivity to
ell size, two dierent 2-D axi-symmetri
grids were used
with
ell sizes r = 1:0 mm and r = 0:5 mm, while the
ell size along the axis of
symmetry was 1.0 mm. The breakup model was turned o and two dierent sizes of the
initial droplet size were used on ea
h grid. They were 1.0 m and 0.01 m. The inje
ton
velo
ity was set to a
onstant 223 m/s. Sin
e the drag, heat and mass transfer depend on
the relative velo
ity, investigating the relative velo
ity
lose to the inje
tor was performed
by averaging the relative velo
ity for all droplets
loser than 3.0
m from the inje
tor.
No interpolation No interpolation
10000 5
r0=1.0mu, dr=1.0mu r0=1.0mu, dr=1.0mm
r0=0.01mu, dr=1.0mm r0=0.01mu, dr=1.0mm
r0=1.0mu, dr=0.5mm r0=1.0mu, dr=0.5mm
r0=0.01mu, dr=0.5mm r0=0.01mu, dr=0.5mm
8000 4
6000 3
4000 2
2000 1
0 0
0 0.0005 0.001 0 0.0005 0.001
Figure 14: Averaged relative velo
ity for the par
els within 3.0
m from the inje
tor and
the
orresponding leading droplet position, with no interpolation
Interpolation Interpolation
10000 5
r0=1.0mu, dr=1.0mm r0=1.0mu, dr=1.0mm
r0=0.01mu, dr=1.0mm r0=0.01mu, dr=1.0mm
r0=1.0mu, dr=0.5mm r0=1.0mu, dr=0.5mm
r0=0.01mu, dr=0.5mm r0=0.01mu, dr=0.5mm
8000 4
Leading droplet position (cm)
Relative velocity (cm/s)
6000 3
4000 2
2000 1
0 0
0 0.0005 0.001 0 0.0005 0.001
Figure 15: Averaged relative velo
ity for the par
els within 3.0
m from the inje
tor with
interpolation
In Figure 14, the dieren
e in relative velo
ity for the 1.0 m droplets is very small,
40
5 RESULTS AND DISCUSSION
while the dieren
e for the 0.01 m droplets is very large. The momentum ex
hange is
mu
h larger for the smaller droplets. Hen
e, if the
ells are small enough to
apture the
velo
ity gradient
lose to the inje
tor, this will result in a gaseous jet with a velo
ity
lose
to the liquid par
els and, thus, a low relative velo
ity. When the grid is too
oarse, the
numeri
al diusion, together with the fa
t that the momentum in
rease yields a lower
in
rease in velo
ity, results in a mu
h higher relative velo
ity.
In Figure 14, no interpolation was used to
al
ulate the relative velo
ity and to inves-
tigate the ee
t of using interpolation, the same
ases are shown in Figures 15.
As
an be seen, by
omparing Figure 15 with 14, when using interpolation, the dier-
en
e in both relative velo
ity and liquid penetration is redu
ed. This will, thus, redu
e
grid sensitivity sin
e the phase ex
hange depends on, espe
ially, the relative velo
ity.
5.2 Turbulent Parameters Analysis
The in
uen
e of the turbulen
e parameters on vapor penetration was investigated in
Figure 16. The two parameters varied were the turbulent energy, k, and the turbulent
length s
ale lt . As
an be seen, the largest in
uen
e on the penetration is obtained by
800 K, 50 bar, N−Heptane 6.0 mg, dr*dz = 0.5 mm * 1.0 mm
8
6
Vapor Penetration, 10 % mass. (cm)
41
5 RESULTS AND DISCUSSION
the turbulent energy should, thus, also de
rease the penetration length, but the total
ee
t is un
lear as the longest penetration, for a given lt , is for the medium value of k.
The redu
tion in penetration is due to the diusion of the fuel vapor.
5.3 Collision Modeling
As pointed out in Se
tion 2.2.6, the standard
ollision model in the KIVA
ode is very grid
dependent. To show this, two impinging jets are set up in a
onstant volume as in Figure
17. To minimize the in
en
e of the gas, the breakup model was turned o and the size of
the droplets were set to the size of the nozzle, with a diameter of 0.1 mm. This allows the
droplets to move relatively undisturbed the gaseous eld, preventing them from following
any eventual gas motion. The turbulent dispersion was also turned o. To investigate
the in
uen
e of the size of the grid
ells and where the
ollision o
urs in the mesh, four
dierent grids were used, where the number of grid
ells in the horisontal dire
tion was
varied between 10, 11, 20 and 21. Sin
e the expe
ted pla
e of
ollision is in the
enter of
the domain, the
ollisons will o
ur on a grid line, for an even number of horisontal
ells,
and in the
enter of a
ell, for an odd number of horisontal
ells. In Figure 17, the top row
is the 20-
ell
ase and the bottom row is the 21-
ell
ase. No
ollision model was used (for
referen
e) in the left, in the
enter the original
ollision model is used and to the right the
mesh independent
ollision formulation is used. Looking at Figures 17(b) and 17(e), in
whi
h the original
ollision model has been used, it is
lear that the
han
e for
ollision is
pra
ti
ally redu
ed to zero when the par
els meet at a grid line. By doubling the
ell size,
the probability for
ollision is redu
ed by half. However, by doubling the size of the
ell,
a larger number of par
els o
upies the same
ell and the ee
t
an be seen by
omparing
Figure 17(e) with 18(e). Many more par
els
ollide in the larger sized
ells
ase 18(e),
than in 17(e), where the
ells are half the size. This feature is very unattra
tive, sin
e the
standard pro
edure to
he
k for a grid-indepent solution will not work in this
ase. In
fa
t, by redu
ing the
ell size in absurdum, par
els will move independently of the others
and never
ollide, sin
e the
ells are too small to hold more than one droplet.
Investigating the results from the mesh independent formulation, it is obvious that the
results are truly mesh independent. Although this method is more expensive, it is still
attra
tive as it oers a solution to an otherwise unsolvable problem. In the simulations
below the
onstant, C2 = 0, in Equation (61), whi
h means that all par
els
rossing ea
h
others path, within the time step, will
ollide. This overpredi
ts the
ollision frequen
y
and was used here only for demonstration purposes.
5.4 Mi
ro Mixing Time
To investigate the in
uen
e of dierent mi
ro mixing times, mix . Constant inje
tion with
a liquid temperature of 300K into a gas with 50bar, 800K was set up. The '
old' liquid
was
hosen to make the
ame lifto longer, hen
e enhan
ing any dieren
e in mix. The
42
5 RESULTS AND DISCUSSION
(a) 20x50, no model (b) 20x50, kiva model ( ) 20x50, new model
(d) 21x50, no model (e) 21x50, kiva model (f) 21x50, new model
Figure 17: Comparison of
ollision models for two dierent grids, with 'smaller'
ells
gures in Figure 19 are arranged in in
reasing order, where the shortest expression for
mix is at the top and the longest at the bottom. It is immediately
lear that by in
reasing
the mixing time, the
ame lift o is in
reased., whi
h is in
omplian
e with Equations
(87) and (88).
43
5 RESULTS AND DISCUSSION
(a) 10x50, no model (b) 10x50, kiva model ( ) 10x50, new model
(d) 11x50, no model (e) 11x50, kiva model (f) 11x50, new model
Figure 18: Comparison of ollision models for two dierent grids, with 'larger' ells
44
5 RESULTS AND DISCUSSION
(a) mix = 0
( ) mix = 0:02t
Figure 19: The temperature eld for
ontinous spray inje
tion using dierent mixing
times.
45
6 CONCLUSIONS
6 Con
lusions
I do not feel obliged to believe that the same God who has endowed us with sense, reason, and
intelle
t has intended us to forgo their use.
- Galileo Galilei
This thesis presents the appli
ation of CFD to spray
ombustion analysis. Improved
sub-models for turbulen
e/
hemistry intera
tion using a detailed
hemistry approa
h
is presented. The
omputer model was applied to a
onstant volume apparatus with
n-heptane and DME as a fuel and reasonable agreement with experimental data was
a
hieved, although spray simulations are sensitive to the
ell size.
When
omparing numeri
al spray
ombustion simulations with experimental data, it
is important to know the initial
onditions of the turbulen
e
hara
teristi
s and to use a
orre
t inje
tion rate s
hedule of the liquid fuel, sin
e the simulation is espe
ially sensitive
to these parameters. However, it is not
ertain that the best result would be obtained if
the experimental results of these parameters were obtained and used in the simulation,
as this might depend on the
hoi
e of turbulen
e model, as well. In this thesis the k-",
either standard or RNG, has been used throughout and no spe
ial investigation of this
statements has been performed. However, the k-" model is 'tuned' only for stationary
situations, while spray
ombustion is a highly transient phenomenon.
Constant volume
al
ulations are attra
tive, sin
e they oer the possibility to study the
in
uen
e of ea
h parameter. In an engine
al
ulation, in whi
h the
ell size and turbulent
parameters are more diÆ
ult to
ontrol, it is even more important that experimental
results are available to validate the
al
ulations. Still, when the problem setup has been
tuned, good agreement
an be obtained.
In
ontrast to single-phase
ows where it is almost always possible to obtain mesh
independent results, whi
h are dependent only on the models, Lagrangian spray
al
u-
lations do not obey this 'law,' be
ause the smaller the
ell size does not always yield a
better result. If a
omplete solution to this problem
ould be dis
overed, it would be a
major breakthrough in the modeling.
46
7 FUTURE WORK
7 Future Work
I like work; it fas
inates me. I
an sit and look at it for hours
- Jerome K. Jerome
47
8 SUMMARY OF PAPERS
8 Summary of Papers
48
8 SUMMARY OF PAPERS
Haldor Topse A/S stated in 1995 that dimethyl ether has the potential of being a real
diesel fuel in the future. It has low parti
ulate emissions and ex
ellent ignition qualities
and it does not require any spe
ial treatment of the fuel inje
tion equipment, sin
e it is
non-
orrosive to metals.
This paper is a numeri
al evaluation of how valid that statement was. For this purpose
a detailed
hemi
al me
hanism was developed and implemented in the KIVA
ode. The
hemi
al me
hanism was
ompared with experimental data for ignition delay times with
good agreement. The la
k of spray
ombustion experiments with DME as a fuel prevented
any su
h
omparisons and the model was tuned with n-heptane as a fuel.
Evaluation of Ignition Quality of DME at Diesel Engine Condi-
tions
Previously la
king
onstant volume experimental data for DME, this paper is a
ontinu-
ation of the paper above and presents a
omparison with the experiments performed at
the University of Hiroshima. Good agreement is obtained and the simulations
onrm
the high ignition quality of DME.
3-D Diesel Spray Simulations Using a New Detailed Chemistry
Turbulent Combustion Model
This is a presentation of the latest models for turbulen
e/
hemistry intera
tion together
with a new
hemi
al me
hanism, to whi
h a soot model has been added and the physi
al
properties of the n-heptane have been repla
ed with the properties of a real Diesel #2
grade fuel. The Volve engines AH10A245 and D12C were simulated using a 3D se
tor
mesh, and the simulations were
ompared with experimental data for the pressure tra
e.
Fair agreement was obtained.
49
A ROBUST FACE-TO-FACE TRACKING
To tra
k par
els through any mesh in a reliable and robust way is only possible when the
ells are tetrahedral. This rather strong
on
lusion will be shown below. Sin
e many CFD
odes use hexahedral
ells this requires the hex-
ells to be split into tets. An operation
quite
ostly if performed every time it is required. Thus, the optimal way is to perform
this de
omposition in the beginning, or every time the mesh has
hanged, and then store
this information.
Be
ause of the fa
e to fa
e addressing, a par
el is not allowed to travel through a
vertex whi
h in a dis
rete world, where the representation of a real number is nite, has
a 100 %
han
e of happening. Looking at Figure 20, this means that a par
el going from
ell 1 to
ell 4 is not allowed to travel along path II , going dire
tly from
ell 1 to
ell 4.
Path I , however, is perfe
tly valid. This is due to the fa
t that a fa
e is only shared by
two
ells, and when a par
el hits a fa
e it must go into the the other
ell sharing this fa
e.
Thus, if the par
el travels along path II , it
an either go into
ell 2 or
ell 3, but not
ell
4. Hen
e, the verti
es, and edges as well, are holes, through whi
h the par
els
an es
ape,
and this is one way to lose them.
1 2
I
II
3 4
Figure 20: Two theoreti
ally possible ways for a par
el to go from
ell 1 to
ell 4
The other way to lose par
els is fa
e-warpage, whi
h happens when a fa
e is des
ribed
by more than three points. Thus, for a hexahedral
ell, in whi
h a fa
e has four points, it
is possible for one point, or more, to not lie on the fa
e plane. Be
ause a fa
e is des
ribed
by a fa
e normal and a fa
e point only, a situation like in Figure 21, where fa
e is
warped, may o
ur. Cells 1 and 2 only share two verti
es. The other two verti
es for fa
e
may thus be arranged so that one of them is higher, and the other lower, than the 2
shared verti
es. Resulting in a situation depi
ted in Figure 21.
A par
el going from
ell 1 hits fa
e i. Be
ause only
ells 1 and 2 share fa
e i, the
par
el is now believed to travel into
ell 2. Hen
e, the par
el moves to
ell 2 and has now
been 'lost'. This will not be dis
overed unless a
he
k is performed every time the par
el
hanges
ells, whi
h slows down the
al
ulations and makes the whole point of the F2F
algorithm useless.
50
B THE TURBULENCE/SPRAY INTERACTION CONSTANT CS
1 2
i j
α
51
B THE TURBULENCE/SPRAY INTERACTION CONSTANT CS
Comment
It is generally agreed that it is not possible to re
onstru
t a CFD
ode using the do
umen-
tation only, meaning that there are undo
umented features and tri
ks, never mentioned
in text, that make the
ode work.
It is the authors experien
e that this also applies to model des
riptions, and this is
not dis
overed until one tries to implement the model. It is therefore the author's wish
that all details of the models des
ribed herein and how they have been implemented are
made perfe
tly
lear, and for those using the KIVA3-V
ode all models are therefore avail-
able at the KIVA JumpStation, http://www.tfd.
halmers.se/~nordin/KJS/, for anyone to
download.
52
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55