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651

Combustion modelling for direct injection diesel


engines

G J Micklow* and W Gong


Mechanical Engineering Department, University of Alabama, Tuscaloosa, Alabama, USA

Abstract: Successful modelling of combustion systems depends on an adequate as well as a compu-


tationally eYcient description of the reaction mechanisms. For a typical medium speed compression
ignition direct injection (CIDI ) engine under normal operating conditions, from 70 to 95 per cent of
the injected fuel is in the vapour phase at the start of combustion and 10–35 per cent of the vaporized
fuel has mixed to within ammability limits. This indicates that both a premixed combustion mechan-
ism and a diVusion combustion mechanism are important to model CIDI engines. In the early stages
of combustion, a premixed combustion mechanism should be utilized while, late in the combustion
process, a diVusion-based mechanism will be dominant. The former is chemically based, while the
latter is physically based. In this article, the two combustion mechanisms mentioned above and
various combinations of the two mechanisms for the intermediate stages of combustion are investi-
gated. The study was done on a Caterpillar 3401 diesel engine. It was found that by utilizing a hybrid
scheme whereby the premixed combustion mechanism is employed up to a user-specied crank angle,
beyond which point a diVusion combustion method is utilized, reasonable agreement for both
in-cylinder pressure and heat release rate with experimental data could be obtained.

Keywords: internal combustion engine, direct injection, chemical kinetics, combustion, compression
ignition, diesel, engine modelling, computational uid dynamics

NOTATION 1 INTRODUCTION

A pre-exponential factor Compression ignition direct injection (CIDI ) engines,


c̄ time-mean concentration of fuel because of their superior thermal eYciency, are being
f
c̄ time-mean concentration of O considered seriously as the primary power plant for the
O2 2
c̄ time-mean concentration of products next generation of high eYciency vehicles. With their
p
C ,C model constants non-homogeneous combustion, direct injection diesel
A B
E activation energy engines allow overall leaner combustion, resulting in
a
k turbulence kinetic energy higher baseline eYciency, better fuel economy, lower
n stoichiometric coeYcient CO emissions, near-zero evaporative emissions and low
2
r stoichiometric oxygen requirement to burn cold-start emissions. The diesel engine represents one of
f
1 kg fuel the most complex combustion systems used today;
R gas constant consequently, understanding the physics and chemistry
RR reaction rate involved in diesel combustion is quite challenging.
T temperature Specically, the major complexity of diesel engines arises
from transient eVects and the inhomogeneity of spray
å dissipation rate of k combustion. An overall description of diesel combustion
[] species concentration requires an understanding of three major processes:
spray dynamics and the interaction with the combustion
chamber walls, ignition kinetics and post-ignition
combustion. Because of recent advances in computer-
controlled fuel injection systems, which are capable of
The MS was received on 27 July 2000 and was accepted after revision producing a well-controlled spray with ne droplets,
for publication on 23 November 2000.
* Corresponding author: Mechanical Engineering Department, direct injection engines now show great promise for
University of Alabama, PO Box 870276, Tuscaloosa, AL 35487, USA. reducing fuel consumption. However, a major challenge
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652 G J MICKLOW AND W GONG

for a conventionally fuelled CIDI engine is the reduction to predict important physical quantities while main-
of NO and particulate emissions to meet current taining computational eYciency. These quantities are
x
Federal Tier II standards and California ultralow emis- rate of heat release, in-cylinder pressure and tempera-
sion vehicle ( ULEV ) standards, as well as the proposed ture, and the concentration of important principal
low emissions vehicle (LEV ) II standards. However, species, fuel, CO, CO , H and H O. The simplest over-
2 2 2
more signicant diesel emissions reductions can only be all reaction representing the oxidation of a typical hydro-
achieved if the fundamental theories of combustion are carbon fuel is a one-step scheme:
explored in detail. Investigation of the liquid spray has
been the focus of many researchers. Curtis et al. [1 ] Fuel +n O n CO +n H O (1)
1 2 2 2 3 2
developed a high-pressure droplet vaporization model
where the fuel determines the stoichiometric coeYcients
for compression ignition engines. Ayoub and Reitz [2]
n . This global reaction is often a convenient way of
investigated the numerical simulation of multicompon- i
approximating the eVects of the many elementary reac-
ent spray vaporization and combustion. Taskinen et al.
tions which actually occur. Its rate must therefore rep-
[3] investigated the penetration and break-up of the
resent an appropriate average of all the individual
liquid spray and proposed modications to existing
reaction rates involved. The single-rate expression is
spray models to improve the predictive capability.
usually expressed as
Studies by Uludogen et al. [4] computationally studied
the eVect of engine speed on engine performance and
A B
E
emissions for a direct injection diesel engine. Rutland RR =AT n exp Õ a [fuel ]a[O ]b (2)
1 RT 2
et al. [5] present a good overview of the ongoing diesel
combustion modelling eVort at their institution. Comparisons between computed and experimental com-
It is clearly apparent that success in understanding a bustion rates are required to evaluate the constants in
signicant portion of present combustion problems the above equation, including the pre-exponential factor,
depends on a detailed and correct understanding of A, the activation energy, E , n, a and b. Note that, in
hydrocarbon chemistry. The general mathematical for- a
general, a and b are not related to the stoichiometric
mulations of the problem of combustion in an internal coeYcients in the global reaction but are empirical con-
combustion engine consist of equations for conservation stants determined either from experiment or from a
of mass, momentum, energy, concentration of each detailed kinetics calculation [7].
chemical species, etc. In general, the computer time and Equation (2) is based on chemical reaction rate, which
storage constraints place severe restrictions on the com- may work well for premixed combustion. However, at
plexity of the reaction mechanisms that can be accom- the start of combustion only 10–35 per cent of the vapor-
modated in numerical simulations of combustion ized fuel has mixed to within ammability limits in a
systems. Further, detailed mechanisms and rate typical medium speed direct injection diesel engine [8];
coeYcients for chemical reactions of practical interest thus combustion is largely mixing limited, especially
are often highly uncertain, so multidimensional reactive in the late combustion stage. Such a non-premixed
ow calculations ordinarily use simplied ‘global’ chemi- combustion may often be viewed as a mixing problem.
cal kinetics schemes, in which the reaction of interest is Magnussen and Hjertager [9 ] proposed a model that
represented by a manageably small number of reaction relates the rate of combustion to the rate of dissipation
steps involving a small number of chemical species [6 ]. of turbulent eddies and expressed the rate of reaction by
the mean concentration of a reacting species, the turbu-
lent kinetic energy and the rate of dissipation of this
2 COMBUSTION MODELLING
energy. In this model, the chemical reaction is assumed
to be very fast and the rate of combustion will be deter-
Since both premixed combustion and mixing-controlled mined by the rate of intermixing on a molecular scale of
combustion mechanisms occur in typical diesel engine fuel and oxygen eddies. When excess oxidizer is present,
operation, neither of them works well alone in a numeri- the reaction rate is given by
cal simulation. Therefore it is necessary to combine these
å
AB
mechanisms in a logical scheme for diesel engine simu-
RR =C c̄ (3)
lation. The combination should have the following 2 A f k
characteristics:
1. It should be simple. When the fuel is in excess, the reaction rate is assumed
2. Reasonable agreement with experimental measured to be
quantities should be obtained. å
A BA B

3. Parameters used in the model should be able to be RR =C O2 (4)
3 A r k
changed, and such a change should be easy to handle. f
Overall kinetic schemes attempt to simplify the chemistry Accounting for the burning rate in premixed turbulent
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COMBUSTION MODELLING FOR DIRECT INJECTION DIESEL ENGINES 653

ames, the reaction rate is equation (2), the lower burning rate can be con-
sidered to represent the delay time. Thus, the pre-
å
A BA B

RR =C C p (5) exponential factor A and the activation energy E
4 A B 1 +r k a
f eVectively control the delay period. When A is
increased and E is reduced, the ignition delay is
where C , C are constants. C will depend on the struc-
A B A a
ture of the ame and the rate of reaction between fuel reduced. In the calculation, it can be assumed that
and oxygen, and C is usually set empirically at 0.5. c , ignition occurs when the temperature of one or
B f several cells reaches a value T (e.g. 2000 K ). The
c and c are time-mean concentrations of fuel, oxygen
O2 p limit
and products respectively. å is the rate of dissipation of crank angle (CA) when the highest temperature
reaches T is stored as õ . During the ignition
turbulent kinetic energy and k is the turbulent kinetic limit limit
energy. r is the stoichiometric oxygen requirement to delay stage, the chemical reaction rate determined by
f equation (2) is low owing to low temperature and is
burn 1 kg fuel.
The equation that gives the lowest reaction rate in less than the mixing rate; thus premixed fuel is
equations (3) to (5) is the one that determines the local accumulated.
rate of combustion. Thus, an expression for the reaction 2. Following the ignition delay is the premixed combus-
rate is given by tion stage. During this period the premixed fuel and
air formed in the ignition delay stage are burned at
RR =min (RR , RR , RR ) (6) the rate given by equation (2). Miyamoto et al. [10]
5 2 3 4
In the mixing-controlled combustion model, the chemi- found that the premixed combustion stage remained
cal reaction rate is assumed to be very fast, which is not almost constant in direct injection diesel engines,
reasonable at the ignition delay stage of the combustion with a duration of approximately 7ß of crankshaft
rotation. Thus from the start of fuel injection õ to
process owing to low temperature. Although equation inj
crank premix, where crank premix =õ +õ + 7ß
(5) can account for this condition to some extent, the inj limit
independence from chemistry of the mixing controlled CA, equation (2) is used.
model is one of its deciencies. To overcome this short- 3. After most of the premixed fuel is consumed, the
coming, equation (2) is also considered when mixing- burning rate is then controlled by the mixing rate.
controlled model is employed in some applications. The burning rate in this period is assumed to be con-
Further, numerous schemes can be generated in an trolled by
attempt to model the physical phenomena. Several are RR =min( RR , RR ) ( 10)
9 2 3
as follows:
This combination is denoted as the chem-mixing model,
RR =min (RR , RR , RR , RR ) (7) and the combustion rate is determined by
6 1 2 3 4
RR =max (RR , RR ) (8) RR = RR , when crank ¢crank premix ( 11)
7 1 5 10 1
RR =min (RR , RR , RR ) (9) RR = RR , when crank > crank premix ( 12)
8 1 2 3 10 9
Equation (7) is typically not used as it is likely to under- where crank is the crankshaft angle and crank premix is
predict the combustion rate, especially during the determined by experience and input as a parameter for
premixed combustion period. Equation ( 8) is more typical engine congurations and operating conditions.
reasonable in the premixed combustion period but may This type of combination has several advantages, e.g. it
over-predict the burning rate in the late stages of com- is simple, and it agrees with the major aspects of the
bustion. As RR [equation (2)] is able to account for diesel combustion phenomenon. The shortcoming is that
1 it is diYcult to determine the parameter crank premix
the premixed combustion, RR [equation (5)] can be
4 exactly. The sensitivity of the results to crank premix
deleted in the right-hand side of equation (7), which
results in equation (9). In contrast to equation ( 8), equa- will be studied in this article.
tion (9) is more applicable for both the ignition delay
and the mixing-controlled combustion stages; however, 3 COMPUTATIONAL TECHNIQUE
it may under-predict the burning rate at the premixed
combustion stage.
The program to be used in the current study is the KIVA-
In this article, another combination of the chemical
III code [11] developed by Los Alamos National
reaction mechanism and mixing mechanism for a typical
Laboratory which has been modied with improved
medium speed diesel engine is proposed. This model is
physical models to include the eVects of spray wall
based on the following assumptions:
impingement, improved heat transfer and turbulence
1. The period from start of injection (SOI ) to ignition models and a mixing-controlled turbulent combustion
is regarded as the ignition delay stage. During this model. The code has its primary application for investi-
period, the reaction rate is determined by equation gation of the complex combustion processes in internal
(2). Although no ignition delay time is considered in combustion engines. KIVA and KIVA-II have been
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654 G J MICKLOW AND W GONG

widely used by the automobile industry for a number of Table 1 Engine specications and some input data
years and have been thoroughly tested under a wide
Bore 6stroke 137.6 cm6165.1 cm
range of operating conditions. Squish 0.458 cm
The KIVA-III computer code solves compressible, tur- Rotational speed 1600 r/min
bulent, three-dimensional transient equations of reacting Connect rod 261.62 cm
Low limit for kinetic reaction calculation 800 K
multicomponent gas mixtures with the ow dynamics of Low limit for equilibrium chemistry calculation 1200 K
an evaporating liquid spray. The conservation laws for Compression ratio 15.1
vapour–gas mass, momentum and energy are solved by Number of nozzle orices 6
Inlet air pressure 184 kPa
a Lagrangian–Eulerian nite volume approach, when the Injection pressure 90 MPa
initial and boundary conditions are specied, by using Fuel C H
14 30
an explicit time marching technique. The spatial diVer- Initial swirl ratio 1.0
Cylinder wall temperature 400 K
encing is made conservative. Coupled implicit diVerenc- Cylinder head temperature 525 K
ing is used for the diVusion terms and terms associated Piston face temperature 525 K
with pressure wave propagation. The coupled implicit CA after top dead centre to inject fuel 349ß
Duration of injection pulse 21.5
equations are solved by a method similar to the SIMPLE Number of valves 2
algorithm [12], with individual equations being solved Displacement volume 2.44 l
by the conjugate residual method. KIVA-III uses an Spray angle (from cylinder head) 27.5ß
Inlet air temperature 310 K
explicit quasi-second-order upwind (QSOV ) scheme for Fuel injected 0.1622 g /cycle
convection. This scheme is monotonic and approaches
second-order accuracy when convecting smooth proles.
Turbulence is modelled using a k–å model. The Monte
Carlo based particle uid spray model allows the predic-
tion of droplet sizes, lifetimes, velocities and trajectories
of fuel droplets emanating from fuel injectors. For com-
bustion, the number of species and chemical reactions
that can be included is arbitrary. The code distinguishes
between slow reactions, which proceed kinetically, and
fast reactions, which are assumed to be in equilibrium.
Chemical rate expressions, which are Arrhenius in
form, are evaluated by a partially implicit procedure. A
fast implicit algebraic solver is used to compute chem-
ical equilibria. The prediction of NO formation is
x
accomplished through an extended Zeldovich mechan-
ism. This is the most predominant NO mechanism at
x
high temperatures.
Fig. 1 Computational mesh for the Caterpillar engine

Fuel +n O n CO +n H O
1 2 2 2 3 2
4 RESULTS AND DISCUSSION O + 2N  2N + 2NO
2 2
2O + N  2O + 2NO
The two combustion schemes and the various combi- 2 2
nations discussed above were investigated. The engine 2OH + N  2H + 2NO
chosen for the study was a CAT 3401 single-cylinder 2
direct injection diesel test engine. The engine specica- The equilibrium reactions are

2=
tions and input parameters are listed in Table 1. For H 2H
computational eYciency, because of engine symmetry
2=
O 2O
with six fuel nozzles, the domain considered is only a
60ß sector of the combustion chamber. Figure 1 shows N = 2N
2
the computational domain for the Caterpillar 3401 diesel
O + H = 2OH
engine. There are 20 cells in the radial direction, 18 cells 2 2
in the circumferential direction and 56 cells in the O + 2H O = 4OH
2 2
axial direction along the engine centre-line. This mesh
O + 2CO = 2CO
resolution has been shown to give adequately grid- 2 2
independent results [13]. The in-cylinder pressure obtained by KIVA3V with
Four kinetic reactions and six equilibrium reactions the kinetically controlled combustion model given by
were considered. The kinetic reactions are equation (2), RR , is compared with experimental data
1
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COMBUSTION MODELLING FOR DIRECT INJECTION DIESEL ENGINES 655

[1] in Fig. 2. The pre-exponential factor A, the activation parison for å/k versus CA obtained with the renormaliz-
energy E and a, b used were the values found in the ation group (RNG ) theory k–å turbulence model [14]
a
KIVA3 manual [11]. From Fig. 2, it can be seen that and standard k–å turbulence model. For the RNG
the calculated maximum pressure is higher than the mea- model, all model constants can be evaluated by the
sured value. The calculated rate of increase in pressure theory explicitly on the basis of certain assumptions and
at the initial combustion stage was lower than the meas- mathematical development. In the latest version of the
ured value. This may be caused by the activation energy RNG k–å turbulence model, an additional term has been
E being too high or the pre-exponential factor A being added to the å equation. This term dynamically changes
a
too low. As the calculation proceeds beyond this point, with the rate of strain of turbulence, providing more
the calculated pressure becomes much higher than the accurate predictions for ows with rapid distortion and
measured value. This diVerence results from the fact that anisotropic large-scale eddies. A marked diVerence can
the reaction rate given by equation (2) is higher than be seen between the two turbulence models. The value
the actual reaction rate, which is largely mixing limited of å/k obtained by RNG k–å model between 350ß and
in the late stages of combustion. 372ß CA was much larger than that obtained by the
Next, the ‘pure’ mixing-controlled combustion model, standard k–å model. After 372ß CA, the value of å/k
in which equation ( 6), RR , determines the burn rate, obtained with the RNG k–å model was slightly larger
5
was investigated. Since the value of å/k plays an import- than that obtained with the standard k–å model. From
ant role in the reaction rate in the mixing-controlled Fig. 3, it seems that a higher burn rate was obtained with
combustion model, the inuence of diVerent turbulence the standard k–å model. However, from Fig. 4, it is seen
models must be investigated rst. Figure 3 shows a com- that the maximum pressure obtained with the RNG k–å
model is higher than that obtained with the standard k–å
model. The diVerence in swirl ratio may account for this
eVect. A higher swirl ratio was obtained with the RNG
k–å model between 290ß and 360ß CA, as shown in Fig. 5,
which enhances the mixing rate of fuel and air. Figure 6
shows the fuel mass whose equivalence ratio is between
0.5 and 1.5. It is clear that more fuel is mixed to amm-
ability limits shortly after injection with the RNG k–å
model.
The mechanisms to determine the burn rate in the
kinetically controlled combustion model, i.e. equation
(2), and mixing controlled combustion, equation ( 6),
are totally diVerent. The former is based on a chemical
mechanism, while the latter is based on a physical
mechanism. Figures 7 to 11 show the pressure, average
temperature, NO mass, CO mass and CO mass in the
Fig. 2 In-cylinder pressure predicted by KIVA3V with normal 2
cylinder obtained with equations (2) and (6). The burn
combustion model (RR ) and by experiment
1 rate between 360ß and 370ß CA determined from equa-
tion (2) was slightly higher than that determined from

Fig. 3 Value of å/k versus crank angle predicted with RNG Fig. 4 In-cylinder pressure predicted with mixing-controlled
k–å model and standard k–å model (RR is used, combustion model (RR is used, C =7) and diVerent
5 5 A
C = 7) turbulence models
A
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656 G J MICKLOW AND W GONG

Fig. 5 Swirl ratio predicted with diVerent turbulence models Fig. 8 Average temperature predicted by KIVA3V with
(RR is used, C = 7) mixing-controlled combustion model (RR is used,
5 A 5
C =7) and normal combustion model (RR )
A 1

Fig. 6 Fuel mass at ER = {0.5, 1.5} predicted with mixing- Fig. 9 NO formation predicted by KIVA3V with mixing-
controlled combustion model (RR is used, C = 7) controlled combustion model (RR is used, C =7)
5 A 5 A
and diVerent turbulence models and normal combustion model (RR )
1

Fig. 7 In-cylinder pressure predicted by KIVA3V with


mixing-controlled combustion model (RR is used, Fig. 10 CO formation predicted by KIVA3V with mixing-
5
C = 7, RNG k–å) and normal combustion model controlled combustion model (RR is used, C =7)
A 5 A
(RR ) and normal combustion model (RR )
1 1
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COMBUSTION MODELLING FOR DIRECT INJECTION DIESEL ENGINES 657

dicted with equation (7), which is a simple combination


of the kinetically controlled and mixing-controlled com-
bustion models. Equation ( 7) simply takes the minimum
reaction rate of equations ( 2) and (6). It is apparent
that this simple modication under-predicts the combus-
tion rate. Although it may be possible to improve the
result by changing certain parameters, good correlation
against experimental data for in-cylinder pressure and
heat release rate is diYcult to obtain using this model.
Figure 14 to 16 show the in-cylinder pressure, heat
release rate and volume of equivalence ratio between 0.5
and 1.5 obtained with equation (8) for several diVerent
values of the mixing controlled reaction rate constant,
C . Equation (8) uses the maximum reaction rate of the
A
kinetically controlled mechanism, equation (2), and the
Fig. 11 CO formation predicted by KIVA3V with mixing- mixing-controlled mechanism, equation (6). This combi-
2
controlled combustion model (RR is used, C = 7) nation is used in the current commercial version of the
5 A
and normal combustion model (RR ) KIVA3V code. From Fig. 14, it can be seen that equation
1
(8) over-predicts the combustion rate. Decreasing C
A
equation ( 6); thus the pressure, temperature and CO will decrease the reaction rate and lower the combustion
2
mass fraction obtained with equation (2) were also rate. This will occur to the point where equation (2),
higher than those obtained with equation (6). Because RR , will be chosen as the reaction rate and further
1
of the temperature diVerence between 360ß and 370ß CA, changes in C will have no eVect. From Figs 15 and 16,
A
the forming rate of NO with equation (2) was also higher it can also be seen that changing C strongly inuences
A
than with equation (6), as shown in Fig. 9. While these the heat release rate and the fuel evaporation and distri-
diVerences exist they are not marked. However, the bution, especially when equation (2) is chosen because
diVerence in the rate of formation of the CO mass frac- of small C . Thus, the eVect of varying the constant C
A A
tion was substantial and it was studied in detail. As a is very complicated and diYcult to utilize.
one-step scheme is employed in this article, CO comes From Fig. 17, it can be seen that the average
from the equilibrium reaction between CO and CO. in-cylinder pressure predicted with the reaction rate
2
Since there is no marked diVerence in CO mass as given by equation (9), RR , is in good agreement with
2 8
shown in Fig. 11, a possible reason for the diVerence in the measured value. However, the initial reaction rate
CO is the in-cylinder distribution of CO, CO , O and appears to be low owing to the slow rise in pressure
2 2
temperature. The temperature plays a very important when compared with the experimental data. This is
role in the chemically controlled combustion model of equivalent to the ignition delay being too long. Two
equation (2), but the temperature is not present in the schemes were investigated to solve this problem. One is
diVusion-controlled model of equation (6). Therefore, to increase the pre-exponential factor A, while the second
the ‘burn acceleration eVect’ and ignition delay eVect are is to reduce the activation energy E for the kinetically
a
apparent when equation (2) is employed. These eVects controlled scheme. From the results shown in Fig. 18, it
result in a smaller reaction zone owing to rapid local is apparent that the calculated pressure obtained with
oxygen depletion but higher CO concentration with reduced activation energy agrees well with the meas-
2
equation (2 ) as compared with equation (6), as seen in ured value.
Fig. 12. In the cells where fuel has existed for enough Next, a new combination of the kinetically controlled
time to initiate a burn, e.g. the plane z=17.9 cm with combustion model and the mixing-controlled combus-
respect to the piston bottom dead centre (BDC ) pos- tion model given by equations ( 11) and (12), RR , was
10
ition, the reaction rate is increased exponentially with studied. Here, the kinetically controlled reaction rate is
equation (2) as temperature increases. Thus, more CO used up to a user-specied CA. This was to accommo-
2
is produced, and from the equilibrium reaction, if the date the combustion process of the premixed air and
temperature remains high, more CO is converted from fuel. Beyond the specied CA the mixing-controlled
CO . Thus, the CO concentration obtained with equa- reaction rate presented in equation (10) is used. This
2
tion ( 2) in these cells is much higher than that obtained was to accommodate the dominant physics of the
with equation (6). For the cells that fuel has recently combustion process in the later stages of combustion.
reached, e.g. the plane z=17 cm, the temperature and Figure 19 shows the pressure obtained with diVerent
the reaction rate with equation (2) are lower than with mixing-controlled reaction rate constants, C . It can be
A
equation (6). However, such a diVerence is important seen that the calculated pressure with both values of C
A
when pollutant emissions are considered. is the same before 360ß CA. This is because the kin-
Figure 13 shows the average in-cylinder pressure pre- etically controlled reaction rate of equation (2) is
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658 G J MICKLOW AND W GONG

Fig. 12 Iso-surfaces of CO , CO, fuel and temperature at 358ß CA predicted with mixing-controlled
2
combustion model (RR is used, C =7) and normal combustion model (RR )
5 A 1

employed. It is also clear that either the activation energy crank premix, changes the point which separates the
is too high or the pre-exponential factor is too low, since reaction rate that dominates the combustion process.
the calculated pressure at the initial combustion period Figure 21 shows the pressure obtained with crank premix
is lower than the experimental value. Figure 20 shows equal to 358ß CA. Since premixed combustion and
the calculated pressure obtained with reduced activation mixing-controlled combustion are used before and after
energy and increased pre-exponential factor. The results crank premix respectively, it is simple to handle various
are improved. Changing the user-specied parameter, parameters, such as the pre-exponential factor, C , etc.
A
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COMBUSTION MODELLING FOR DIRECT INJECTION DIESEL ENGINES 659

Fig. 13 In-cylinder pressure predicted by KIVA3V with


mixing-controlled combustion model (RR is used, Fig. 16 Volume of ER ={0.5, 1.5} predicted by KIVA3V
6 with RR with diVerent C
C =18) and experiment 7 A
A

Fig. 14 In-cylinder pressure predicted by KIVA3V with RR Fig. 17 In-cylinder pressure predicted by KIVA3V with RR
7 8
with diVerent C and experiment (capa= 6) and experiment
A

Fig. 18 In-cylinder pressure predicted with RR (increased


Fig. 15 Heat release rate predicted by KIVA3V with RR 8
7 pre-exponential factor A or reduced activation
with diVerent C
A energy) and experiment

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D08000 © IMechE 2001 Proc Instn Mech Engrs Vol 215 Part D
660 G J MICKLOW AND W GONG

Changing activation energy and pre-exponential factor


can inuence the rate of the pressure rise at the initial
combustion stage. Changing the constant C can control
A
the burn rate in the later stages of combustion. Since
equation (2) is employed before crank premix, the value
of å/k at the early combustion stage (before crank
premix) should not greatly inuence the results as in
the mixing-controlled combustion stage [equation (6)].
Figures 22 to 26 show the value of å/k, heat release rate,
average temperature, NO mass and CO mass obtained
with the RNG and standard k–å turbulence models. The
result of the value of å/k obtained with both turbulence
models is similar to that in Fig. 3. Higher heat release
rate is obtained with standard k–å model at the initial
combustion stage as seen in Fig. 23. The lower heat
Fig. 19 In-cylinder pressure predicted with RR (crank release rate obtained with standard k–å model between
10
premix= 360ß CA) and experiment 360ß and 375ß CA could be a result of diVerent in-
cylinder fuel concentrations. From Fig. 23, it is easy to
explain the diVerence in average temperature shown in
Fig. 24. The diVerence in temperature also causes the

Fig. 20 In-cylinder pressure predicted with RR


10
(crank Fig. 22 Value of å/k predicted with RR (crank premix=
10
premix= 360ß CA) and experiment 358ß CA, A6 1.5; RNG k–å, C =2; standard k–å,
A
C = 1)
A

Fig. 21 In-cylinder pressure predicted with RR (crank Fig. 23 Heat release rate obtained with RR (crank premix=
10 10
premix= 358ß CA, A61.5; RNG k–å, C =2; 358ß CA, A6 1.5; RNG k–å, C =2; standard k–å,
A A
standard k–å, C =1) and experiment C = 1)
A A
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COMBUSTION MODELLING FOR DIRECT INJECTION DIESEL ENGINES 661

marked diVerence in NO mass, as seen in Fig. 25, since


NO formation increases exponentially with temperature.
As previously discussed, the diVerent combustion mech-
anisms have an important eVect on CO formation, which
can account for the rst peak for CO mass at around
crank premix in Fig. 26. Since, in a one-step scheme, CO
is formed from an equilibrium reaction, which is greatly
inuenced by temperature, the rst peak of CO obtained
with the standard k–å model was higher than that
obtained with RNG k–å model, as seen in Figs 24 and 26.

5 CONCLUSION

Fig. 24 Average temperature predicted by KIVA3V with Since both premixed combustion and mixing-controlled
RR (crank premix= 358ß CA, A6 1.5; RNG k–å, combustion mechanisms occur in typical diesel engine
10
C =2; standard k–å, C =1) operation, neither of them works well alone in a numeri-
A A
cal model. Therefore, it is necessary to combine these
mechanisms in a logical scheme for diesel engine simu-
lation. The combination should be simple for compu-
tational eYciency, give a reasonable match with
experimental data and have parameters in the model that
can be easily changed to improve the accuracy of the
calculation.
Two combustion schemes, one kinetically controlled
(premixed ) and one mixing controlled (diVusion),
together with various combinations of these two models,
were investigated in this article. The in-cylinder pressure
predicted by the kinetically controlled combustion model
given by equation (2) was compared with the experimen-
tal data. It was found that the calculated maximum
pressure was higher than the measured value. The calcu-
lated rate of increase in pressure at the initial combustion
stage was lower than the measured value. This is believed
Fig. 25 NO formation predicted by KIVA3V with RR to be caused by the activation energy E being too high
10 a
(crank premix=358ß CA, A6 1.5; RNG k–å, or the pre-exponential factor A being too low. As the
C =2; standard k–å, C =1)
A A calculation proceeds beyond this point, the calculated
pressure is much higher than the measured value. This
diVerence results from the fact that the reaction rate
given by equation (2) is higher than the actual reaction
rate, which is largely mixing limited in the late stages of
combustion. Therefore, it was concluded that the kin-
etically controlled combustion model alone would
be inadequate to predict the in-cylinder pressure
distribution.
The mixing-controlled combustion model was then
evaluated alone. A strong dependence on the turbulence
modelling was found and the in-cylinder pressure distri-
bution was under-predicted with the RNG turbulence
k–å model and over-predicted with the standard k–å
model. These results were related to the fact that the
standard k–å model has a much higher value of å/k
during the fuel injection period and a slightly lower value
after the injection period in comparison with the RNG
Fig. 26 CO formation predicted by KIVA3V with RR k–å model. It is thus concluded that turbulence model-
10
(crank premix= 358ß CA, A6 1.5; RNG k–å, ling has an important eVect on the computed results.
C =2; standard k–å, C =1) The RNG k–å is recommended, however, because of the
A A
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662 G J MICKLOW AND W GONG

incorporation of improved physics. The importance and trolled scheme to the diVusion-controlled scheme with-
accuracy of diVerent turbulence models for modelling out a user-specied value. Further, the model has been
in-cylinder ows are currently under investigation divided into three phases, ignition, premixed combustion
and those results will be published when completely and diVusion combustion. This work will be published
obtained. Further, it was concluded that the mixing- when completed.
controlled combustion model alone would be inadequate Finally, since two diVerent reaction mechanisms are
to predict accurately even the in-cylinder pressure employed in these two models, one that is chemically
distribution. determined, the other being physically determined, their
Simple combinations of the kinetically controlled reaction zones are diVerent. Such a diVerence has an
combustion model and the mixing-controlled combus- important eVect on the products’ composition. Although
tion model were investigated. When the reaction rate both models can obtain a reasonable match against
was set by taking the minimum of these two models, it experimental data for global thermodynamic quantities
was apparent that the combustion rate was under-pre- such as average in-cylinder pressure and average tem-
dicted. Although it may be possible to improve the result perature, other detailed information, such as CO mass
by changing certain model parameters, good correlation history, can be very diVerent. Therefore, it is recom-
against experimental data for in-cylinder pressure and mended that a more detailed reaction scheme, e.g. a
heat release rate is diYcult to obtain using this type of multistep scheme, is required to predict pollutant emis-
modication. The combination in the most recent release sion formation. Several levels of multistep combustion
of the KIVA3V code is to simply take the maximum of modelling schemes are currently under investigation and
the reaction rate predicted by the kinetically controlled the results will be published when the study is completed.
and the mixing-controlled models. For this combination,
it was concluded that the combustion rate was over-
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